Mercurial > repos > chemteam > mdanalysis_ramachandran_protein
changeset 0:0f270722aca6 draft
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 1b23e024af45cc0999d9142d07de6897d4189ec2"
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/angle.py Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,75 @@ +#!/usr/bin/env python + +import argparse +import csv +import sys + +import MDAnalysis as mda + +import matplotlib +import matplotlib.pyplot as plt + +import numpy as np +from numpy.linalg import norm + +matplotlib.use('Agg') # noqa + + +def parse_command_line(argv): + parser = argparse.ArgumentParser() + parser.add_argument('--itraj', help='input traj') + parser.add_argument('--istr', help='input str') + parser.add_argument('--itrajext', help='input traj ext') + parser.add_argument('--istrext', help='input str ext') + parser.add_argument('--isegid1', help='segid 1') + parser.add_argument('--iresid1', help='resid 1') + parser.add_argument('--iname1', help='name 1') + parser.add_argument('--isegid2', help='segid 2') + parser.add_argument('--iresid2', help='resid 2') + parser.add_argument('--iname2', help='name 2') + parser.add_argument('--isegid3', help='segid 3') + parser.add_argument('--iresid3', help='resid 3') + parser.add_argument('--iname3', help='name 3') + parser.add_argument('--output', help='output') + parser.add_argument('--oangle_plot', help='angle plot') + return parser.parse_args() + + +args = parse_command_line(sys.argv) + +atom1 = "(segid %s and resid %s and name %s)" % \ + (args.isegid1, args.iresid1, args.iname1) +atom2 = "(segid %s and resid %s and name %s)" % \ + (args.isegid2, args.iresid2, args.iname2) +atom3 = "(segid %s and resid %s and name %s)" % \ + (args.isegid3, args.iresid3, args.iname3) + + +def theta(u): + A = u.select_atoms(atom1).center_of_geometry() + B = u.select_atoms(atom2).center_of_geometry() + C = u.select_atoms(atom3).center_of_geometry() + BA = A - B + BC = C - B + theta = np.arccos(np.dot(BA, BC)/(norm(BA)*norm(BC))) + return np.rad2deg(theta) + + +u = mda.Universe(args.istr, args.itraj, + topology_format=args.istrext, format=args.itrajext) +data = np.array([(u.trajectory.frame, theta(u)) for ts in u.trajectory]) +frame, theta = data.T + +with open(args.output, 'w') as f: + writer = csv.writer(f, delimiter='\t') + writer.writerows(zip(frame, theta)) + +with open(args.output) as f: + g = [xtmp.strip() for xtmp in f] + data = [tuple(map(float, xtmp.split())) for xtmp in g[0:]] + time = [xtmp[0] for xtmp in data] + angle = [xtmp[1] for xtmp in data] + plt.plot(time, angle) + plt.xlabel('Frame No.') + plt.ylabel('Angle (degrees)') + plt.savefig(args.oangle_plot, format='png')
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/dihedrals.py Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,82 @@ +#!/usr/bin/env python + +import argparse +import csv +import sys + +import MDAnalysis as mda +from MDAnalysis.lib.distances import calc_dihedrals + +import matplotlib +import matplotlib.pyplot as plt + +import numpy as np + +matplotlib.use('Agg') # noqa + + +def parse_command_line(argv): + parser = argparse.ArgumentParser() + parser.add_argument('--itraj', help='input traj') + parser.add_argument('--istr', help='input str') + parser.add_argument('--itrajext', help='input traj ext') + parser.add_argument('--istrext', help='input str ext') + parser.add_argument('--isegid1', help='segid 1') + parser.add_argument('--iresid1', help='resid 1') + parser.add_argument('--iname1', help='name 1') + parser.add_argument('--isegid2', help='segid 2') + parser.add_argument('--iresid2', help='resid 2') + parser.add_argument('--iname2', help='name 2') + parser.add_argument('--isegid3', help='segid 3') + parser.add_argument('--iresid3', help='resid 3') + parser.add_argument('--iname3', help='name 3') + parser.add_argument('--isegid4', help='segid 4') + parser.add_argument('--iresid4', help='resid 4') + parser.add_argument('--iname4', help='name 4') + parser.add_argument('--output', help='output') + parser.add_argument('--odihedral_plot', help='dihedral plot') + return parser.parse_args() + + +args = parse_command_line(sys.argv) + +atom1 = "(segid %s and resid %s and name %s)" % \ + (args.isegid1, args.iresid1, args.iname1) +atom2 = "(segid %s and resid %s and name %s)" % \ + (args.isegid2, args.iresid2, args.iname2) +atom3 = "(segid %s and resid %s and name %s)" % \ + (args.isegid3, args.iresid3, args.iname3) +atom4 = "(segid %s and resid %s and name %s)" % \ + (args.isegid4, args.iresid4, args.iname4) + + +def psi(u): + A = u.select_atoms(atom1).positions + B = u.select_atoms(atom2).positions + C = u.select_atoms(atom3).positions + D = u.select_atoms(atom4).positions + psi = calc_dihedrals(A, B, C, D) + return np.rad2deg(psi) + + +u = mda.Universe(args.istr, args.itraj, + topology_format=args.istrext, format=args.itrajext) +data = np.array([(u.trajectory.frame, psi(u)) for ts in u.trajectory]) +frame, psi = data.T +PSI = np.concatenate(psi, axis=0) + +zip(frame, PSI) + +with open(args.output, 'w') as f: + writer = csv.writer(f, delimiter='\t') + writer.writerows(zip(frame, PSI)) + +with open(args.output) as f: + g = [xtmp.strip() for xtmp in f] + data = [tuple(map(float, xtmp.split())) for xtmp in g[0:]] + time = [xtmp[0] for xtmp in data] + dihedral = [xtmp[1] for xtmp in data] + plt.plot(time, dihedral) + plt.xlabel('Frame No.') + plt.ylabel('Dihedral (degrees)') + plt.savefig(args.odihedral_plot, format='png')
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/distance_multiple.py Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,56 @@ +import argparse +import sys + +import MDAnalysis as mda +from MDAnalysis.analysis import distances + +import numpy as np + + +def parse_command_line(argv): + parser = argparse.ArgumentParser() + parser.add_argument('--itraj', help='input traj') + parser.add_argument('--istr', help='input str') + parser.add_argument('--itrajext', help='input traj ext') + parser.add_argument('--istrext', help='input str ext') + parser.add_argument('--list1', help='list 2') + parser.add_argument('--list2', help='list 2') + parser.add_argument('--output', help='output') + parser.add_argument('--header', dest='header', action='store_true') + return parser.parse_args() + + +args = parse_command_line(sys.argv) + +u = mda.Universe(args.istr, args.itraj, + topology_format=args.istrext, format=args.itrajext) + +list1 = np.loadtxt(args.list1, dtype=str, delimiter="\t", ndmin=1) +list2 = np.loadtxt(args.list2, dtype=str, delimiter="\t", ndmin=1) + +sel1 = [u.select_atoms(selection) for selection in list1] +sel2 = [u.select_atoms(selection) for selection in list2] + +d = np.empty((u.trajectory.n_frames, list1.shape[0], list2.shape[0]),) + +for ts in u.trajectory: + c_o_m1 = np.array([selection.center_of_mass() for selection in sel1]) + c_o_m2 = np.array([selection.center_of_mass() for selection in sel2]) + distances.distance_array(c_o_m1, c_o_m2, result=d[ts.frame]) + +d = np.hstack(( + np.array(np.reshape(np.arange( + 0, d.shape[0]), (d.shape[0], 1)), dtype=int), # add column w frame + np.reshape(d, (d.shape[0], d.shape[1] * d.shape[2])) +)) + +if args.header: + header = 'Frame\t' + '\t'.join( + ['-'.join(pair) for pair in zip( + sum([[n, ] * len(list2) for n in list1], []), + list(list2) * len(list1),)]).replace(' ', '_') +else: + header = '' + +np.savetxt(args.output, d, header=header, comments='', + fmt=['%d'] + ['%f'] * (d.shape[1] - 1), delimiter='\t')
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/distance_single.py Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,63 @@ +#!/usr/bin/env python + +import argparse +import sys + +import MDAnalysis as mda + +import matplotlib +import matplotlib.pyplot as plt + +import numpy as np + +matplotlib.use('Agg') # noqa + + +def parse_command_line(argv): + parser = argparse.ArgumentParser() + parser.add_argument('--itraj', help='input traj') + parser.add_argument('--istr', help='input str') + parser.add_argument('--itrajext', help='input traj ext') + parser.add_argument('--istrext', help='input str ext') + parser.add_argument('--isegid1', help='segid 1') + parser.add_argument('--iresid1', help='resid 1') + parser.add_argument('--iname1', help='name 1') + parser.add_argument('--isegid2', help='segid 2') + parser.add_argument('--iresid2', help='resid 2') + parser.add_argument('--iname2', help='name 2') + parser.add_argument('--output', help='output') + parser.add_argument('--odistance_plot', help='odistance plot') + parser.add_argument('--header', dest='header', action='store_true') + return parser.parse_args() + + +args = parse_command_line(sys.argv) + +atom1 = "(segid %s and resid %s and name %s)" % \ + (args.isegid1, args.iresid1, args.iname1) +atom2 = "(segid %s and resid %s and name %s)" % \ + (args.isegid2, args.iresid2, args.iname2) + +u = mda.Universe(args.istr, args.itraj, + topology_format=args.istrext, format=args.itrajext) +x = u.select_atoms(atom1) +y = u.select_atoms(atom2) + +with open(args.output, 'w') as f: + if args.header: + f.write('Frame\tDistance') + for t in u.trajectory: + r = x.positions - y.positions + d = np.linalg.norm(r) + f.write(str(t.frame) + '\t ') + f.write(str(d) + '\n') + +with open(args.output) as f: + g = [xtmp.strip() for xtmp in f] + data = [tuple(map(float, xtmp.split())) for xtmp in g[0:]] + time = [xtmp[0] for xtmp in data] + distance = [xtmp[1] for xtmp in data] + plt.plot(time, distance) + plt.xlabel('Frame No.') + plt.ylabel(r'Distance ($\AA$)') + plt.savefig(args.odistance_plot, format='png')
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/end-to-end.py Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,96 @@ +#!/usr/bin/env python + +import argparse +import itertools +import sys + +import MDAnalysis as mda + +import matplotlib +import matplotlib.pyplot as plt + +import numpy as np +import numpy.linalg + +matplotlib.use('Agg') # noqa + + +def parse_command_line(argv): + parser = argparse.ArgumentParser() + parser.add_argument('--itraj', help='input traj') + parser.add_argument('--istr', help='input str') + parser.add_argument('--itrajext', help='input traj ext') + parser.add_argument('--istrext', help='input str ext') + parser.add_argument('--isegid1', help='segid 1') + parser.add_argument('--ilabel', help='plot label') + parser.add_argument('--ititle1', help='plot title') + parser.add_argument('--output1', help='output1 - timeseries') + parser.add_argument('--o_plot', help='End to End plot') + return parser.parse_args() + + +args = parse_command_line(sys.argv) + + +u = mda.Universe(args.istr, args.itraj, + topology_format=args.istrext, format=args.itrajext) + +ntermatoms = "(segid %s and name N)" % \ + (args.isegid1) +ctermatoms = "(segid %s and name C)" % \ + (args.isegid1) +# not sure how robust this selection really is +nterm = u.select_atoms(ntermatoms)[0] # first atom named N +cterm = u.select_atoms(ctermatoms)[-1] # takes the last atom named 'C' + +enddist = [] + +for ts in u.trajectory: # iterate through all frames + r = cterm.position - nterm.position # e-to-e vector from atom positions + d = numpy.linalg.norm(r) # end-to-end distance + enddist.append((ts.frame, d)) + +enddist = np.array(enddist) + + +color = itertools.cycle(['r', 'b', 'gold']) + +fig, axs = plt.subplots(1, 2, sharex=False, sharey=False, tight_layout=True) + +params = { + 'axes.labelsize': 8, + 'legend.fontsize': 10, + 'xtick.labelsize': 10, + 'ytick.labelsize': 10, + 'text.usetex': False, + 'figure.figsize': [4.5, 4.5], + 'figure.dpi': 300 +} +plt.rcParams.update(params) + +axs[0].plot(enddist[:, 0], enddist[:, 1], 'r-', lw=2, label=args.ilabel) +axs[0].set_xlabel("number of frames") +axs[0].set_ylabel(r"End to end distance ($\AA$)") +axs[0].legend() + +n, bins, patches = axs[1].hist(enddist[:, 1], color=next( + color), label=args.ilabel, alpha=0.5, density=True, stacked=True) + +axs[1].legend() +axs[1].set_ylabel('Density Normalised Frequency') +axs[1].set_xlabel(r'End to end distance ($\AA$)') +fig.suptitle(args.ititle1, fontsize=12, fontweight='bold') +fig.subplots_adjust(top=0.45) + +print( + " \n".join( + [ + 'The End to End distance is measured between the following atoms:', + str(nterm), + str(cterm)])) + +# svg is better but sticking with png for now +plt.savefig(args.o_plot, format='png') + + +np.savetxt(args.output1, enddist, delimiter='\t')
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/extract_rmsd.py Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,129 @@ +import argparse +import json + +import MDAnalysis as m +from MDAnalysis.analysis import align, rms +from MDAnalysis.analysis.base import AnalysisFromFunction +from MDAnalysis.coordinates.memory import MemoryReader + +import numpy as np + + +def calc_rmsd(str_files, traj_files, ref_str, str_format, traj_format, + ref_str_format, filepath_out, group, start, end, step, + fitting_atoms): + """ + the function will cycle through range 0 to no_t and load all files found. + + str_files: text file with filepaths for structures, one on each line + traj_files: text file with filepaths for trajectories, one on each line + ref_str: reference structure for fitting + filepath_in: directory where the files are located + filepath_out: pickle file where results (3D matrix) should be saved to + + group: atoms for which RMSD should be calculated; + use the MDAnalysis selection language + fitting_atoms: atoms used for str alignment prior to RMSD calculation; + use the MDAnalysis selection language + + start: first trajectory frame to calculate RMSD + end: last trajectory frame to calculate RMSD + step: how frequently frames are sampled between start and end; obviously, + the larger the step, the quicker the script finishes + """ + + # open list of files + with open(str_files) as f1, open(traj_files) as f2: + str_file_list = f1.read().strip().split('\n') + traj_file_list = f2.read().strip().split('\n') + + if sum(1 for line in f1) != sum(1 for line in f2): + raise IOError('Number of structure and trajectory files unequal.') + + no_t = len(traj_file_list) + + data = np.zeros((no_t, no_t, + int((end - start)/step + ((end - start) % step > 0)))) + + # load files + universes = {} + + for traj in range(no_t): + mobile = m.Universe(str_file_list[traj], traj_file_list[traj], + format=traj_format, topology_format=str_format) + ref = m.Universe(ref_str, topology_format=ref_str_format) + + mobile.trajectory[-1] # set mobile trajectory to last frame + ref.trajectory[0] # set reference trajectory to first frame + + # perform alignment + align.AlignTraj(mobile, ref, select=fitting_atoms, + in_memory=True).run() + + grp = mobile.select_atoms(group) + universes[traj] = m.core.universe.Merge(grp) # create Universe w grp + coordinates = AnalysisFromFunction(lambda ag: ag.positions.copy(), + grp).run().results # write to uv + universes[traj].load_new(coordinates, format=MemoryReader) + + print("All trajs loaded by MDAnalysis") + + # calculate differences + for traj1 in range(no_t): + print("Calculating differences for traj {}".format(traj1)) + for traj2 in range(traj1): + + u1 = universes[traj1] + u2 = universes[traj2] + + l1 = u1.select_atoms(group) + l2 = u2.select_atoms(group) + + rmsd = rms.RMSD(l1, l2) + + rmsd.run() + + data[traj1, traj2] = rmsd.rmsd[:, 2] + data[traj2, traj1] = rmsd.rmsd[:, 2] + + with open(filepath_out, 'w') as f: + json.dump(data.tolist(), f, indent=4, sort_keys=True) + + print("Done!") + return + + +def main(): + parser = argparse.ArgumentParser() + parser.add_argument('--trajs', required=True, + help='File containing trajectory filepaths.') + parser.add_argument("--strs", + help='File containing structure filepaths.') + parser.add_argument("--ref-str", + help='File containing reference structure.') + parser.add_argument('--traj-format', required=True, + help='Trajectory format.') + parser.add_argument("--str-format", help='Structure format.') + parser.add_argument("--ref-str-format", + help='Reference structure format.') + parser.add_argument('-o', '--outfile', + help="Path to the output JSON file") + parser.add_argument('--group', help="Atoms for which RMSD should be" + "calculated in MDAnalysis selection language") + parser.add_argument('--fitting', help="Fitting atoms for alignment" + "prior to RMSD calculation") + parser.add_argument('--start', type=int, + help="First trajectory frame to calculate RMSD") + parser.add_argument('--end', type=int, + help="Last trajectory frame to calculate RMSD") + parser.add_argument('--step', type=int, + help="Frame sampling frequency for RMSD calculation") + args = parser.parse_args() + + calc_rmsd(args.strs, args.trajs, args.ref_str, args.str_format, + args.traj_format, args.ref_str_format, args.outfile, + args.group, args.start, args.end, args.step, args.fitting) + + +if __name__ == "__main__": + main()
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/hbonds.py Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,72 @@ +#!/usr/bin/env python + +import argparse +import csv +import sys + +import MDAnalysis as mda +import MDAnalysis.analysis.hbonds + +import pandas as pd + + +def parse_command_line(argv): + parser = argparse.ArgumentParser() + parser.add_argument('--itraj', help='input traj') + parser.add_argument('--istr', help='input str') + parser.add_argument('--itrajext', help='input traj ext') + parser.add_argument('--istrext', help='input str ext') + parser.add_argument('--isegid1', help='segid 1') + parser.add_argument('--isegid2', help='segid 2') + parser.add_argument('--idistance', help='cutoff distance') + parser.add_argument('--iangle', help='ctoff angle') + parser.add_argument('--output', help='output') + parser.add_argument('--ofreq_output', help='frequency output') + parser.add_argument('--onumber_output', help='number of hbond output') + parser.add_argument('--otime_output', help='time steps output') + return parser.parse_args() + + +args = parse_command_line(sys.argv) + +selection1 = "segid %s" % args.isegid1 +selection2 = "segid %s" % args.isegid2 +distance = float(args.idistance) +angle = float(args.iangle) + +u = mda.Universe(args.istr, args.itraj, + topology_format=args.istrext, format=args.itrajext) + +h = MDAnalysis.analysis.hbonds.HydrogenBondAnalysis( + u, selection1, selection2, distance=distance, angle=angle) +h.run() +h.generate_table() + +df = pd.DataFrame.from_records(h.table) +df.to_csv(args.output, sep='\t') + +t1 = list(h.count_by_type()) +t2 = list(h.count_by_time()) +t3 = list(h.timesteps_by_type()) + +with open(args.ofreq_output, 'w') as f: + f.write("donor_index\tacceptor_index\t\ + donor_resname\tdonor_resid\tdonor_atom\t\ + hydrogen_atom\tacceptor_reansme\tacceptor_resid\t\ + acceptor_atom\tfrequency\n") + writer = csv.writer(f, delimiter='\t') + writer.writerows(t1) + + +with open(args.onumber_output, 'w') as f1: + f1.write("time_step\tno_of_h_bonds\n") + writer = csv.writer(f1, delimiter='\t') + writer.writerows(t2) + +with open(args.otime_output, 'w') as f2: + f2.write("donor_index\tacceptor_index\t\ + donor_resname\tdonor_resid\tdonor_atom\t\ + hydrogen_atom\tacceptor_reansme\tacceptor_resid\t\ + acceptor_atom\ttime_step\n") + writer = csv.writer(f2, delimiter='\t') + writer.writerows(t3)
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/macros.xml Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,43 @@ +<macros> + <token name="@TOOL_VERSION@">1.0.0</token> + <xml name="requirements"> + <requirements> + <requirement type="package" version="@TOOL_VERSION@">mdanalysis</requirement> + <yield/> + </requirements> + </xml> + <xml name="analysis_inputs"> + <param format="dcd,xtc" name="trajin" type="data" label="DCD/XTC trajectory input" /> + <param format="pdb,gro" name="strin" type="data" label="PDB/GRO input" /> + <yield/> + </xml> + <xml name="sanitizer"> + <sanitizer invalid_char=""> + <valid initial="string.ascii_letters,string.digits" /> + </sanitizer> + <yield/> + </xml> + <xml name="sanitizer_resids"> + <sanitizer invalid_char=""> + <valid initial="string.digits" /> + </sanitizer> + <yield/> + </xml> + <xml name="tests_inputs"> + <param name="trajin" value="test.dcd" ftype="dcd" /> + <param name="strin" value="test.pdb" ftype="pdb" /> + <yield/> + </xml> + <xml name="tests_inputs_gmx"> + <param name="trajin" value="test.xtc" ftype="xtc" /> + <param name="strin" value="test.gro" ftype="gro" /> + <yield/> + </xml> + <xml name="citations"> + <citations> + <citation type="doi">10.1093/bioinformatics/btz107</citation> + <citation type="doi">10.1002/jcc.21787</citation> + <yield/> + </citations> + </xml> +</macros>
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/pca_cosine.py Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,49 @@ +#!/usr/bin/env python + +import argparse +import csv +import sys + +import MDAnalysis as mda +import MDAnalysis.analysis.pca as pca + +import numpy as np + + +def parse_command_line(argv): + parser = argparse.ArgumentParser() + parser.add_argument('--itraj', help='input traj') + parser.add_argument('--istr', help='input str') + parser.add_argument('--itrajext', help='input traj ext') + parser.add_argument('--istrext', help='input str ext') + parser.add_argument('--icomponents', help='number of principle components') + parser.add_argument('--iindex', help='index of the PC') + parser.add_argument('--output', help='output') + parser.add_argument('--cosout', help='cosine output') + return parser.parse_args() + + +args = parse_command_line(sys.argv) + +u = mda.Universe(args.istr, args.itraj, + topology_format=args.istrext, format=args.itrajext) + +components = int(args.icomponents) +pca_index = int(args.iindex) + +PSF_pca = pca.PCA(u, select='backbone') +PSF_pca.run() +n_pcs = np.where(PSF_pca.cumulated_variance > 0.95)[0][0] +atomgroup = u.select_atoms('backbone') + +pca_space = PSF_pca.transform(atomgroup, n_components=components) +cosine = mda.analysis.pca.cosine_content(pca_space, pca_index) + +PCA = list(pca_space) + +with open(args.output, 'w') as f: + writer = csv.writer(f, delimiter='\t') + writer.writerows(PCA) + +with open(args.cosout, 'w') as f1: + f1.write(str(cosine))
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/ramachandran_auto_protein.py Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,163 @@ +#!/usr/bin/env python + +import argparse +import base64 +import importlib +import sys + +import MDAnalysis as mda +from MDAnalysis.analysis.dihedrals import Ramachandran + +import h5py + +from jinja2 import Environment, FileSystemLoader + +import matplotlib +import matplotlib.pyplot as plt +import matplotlib.ticker as ticker + +import numpy as np +import numpy.linalg + +import seaborn as sns + + +matplotlib.use('Agg') # noqa + + +def parse_command_line(argv): + parser = argparse.ArgumentParser() + parser.add_argument('--itraj', help='input traj') + parser.add_argument('--istr', help='input str') + parser.add_argument('--itrajext', help='input traj ext') + parser.add_argument('--istrext', help='input str ext') + parser.add_argument('--isegid1', help='segid 1') + parser.add_argument('--iresid1', help='resid start') + parser.add_argument('--iresid2', help='resid end') + parser.add_argument('--iresname', help='resname e.g. ALA') + parser.add_argument('--igroupby', help='groupby names or ids') + parser.add_argument('--itemplatepath', help='template path') + parser.add_argument('--o_plot1', help='MDA Ramachandran plot') + parser.add_argument('--o_plot2', help='Seaborn Ramachandran plot') + parser.add_argument('--o_data1', help='Timeseries in HDF5 format') + parser.add_argument('--o_html1', help='Html overview output of all plots') + return parser.parse_args() + + +args = parse_command_line(sys.argv) + +currentpath = "." +if args.itemplatepath is not None: + currentpath = args.itemplatepath + + +u = mda.Universe(args.istr, args.itraj, + topology_format=args.istrext, format=args.itrajext) +selection = "(segid %s)" % \ + (args.isegid1) + +if args.iresname is not None: + selection = "(segid %s and resname %s)" % \ + (args.isegid1, args.iresname) + +if args.iresid1 is not None and args.iresid2 is not None: + assert(int(args.iresid1) > 0), "ResID numbering starts at 1 for this tool." + assert(int(args.iresid2) > 0), "ResID numbering starts at 1 for this tool." + assert(int(args.iresid2) > int(args.iresid1) + ), "ResID2 must be at least ResID1+1" + selection = "(segid %s and resid %s-%s)" % \ + (args.isegid1, int(args.iresid1), int(args.iresid2)) + if args.iresname is not None: + selection = "(segid %s and resid %s-%s and resname %s)" % \ + (args.isegid1, int(args.iresid1), int(args.iresid2), args.iresname) + +r = u.select_atoms(selection) + +assert(r != u.select_atoms('name thiscannotpossiblyexist') + ), \ + """The selection you specified returns an empty result. + Check segment names and residue ID's. Also check the + structure and trajectory file selected are the correct ones""" + +if args.igroupby is not None: + group_selections = {} # dictionary of selections + if args.igroupby == 'name': + groupby = sorted(list(set(r.resnames))) + for e in groupby: + s = r & u.select_atoms("resname %s" % e) + this_sel = "%s and resname %s" % (selection, e) + group_selections[this_sel] = s + elif args.igroupby == 'id': + groupby = sorted(list(set(r.resids))) + for e in groupby: + s = r & u.select_atoms("resid %s" % e) + this_sel = "%s and resid %s" % (selection, e) + group_selections[this_sel] = s + else: + assert False, ("Invalid argument for igroupby. " + "Only name and id are valid options.") + + +def ramachandran_plot(atomgroup, selection, outputfile1, outputfile2, + image_format='png'): + # plot standard mdanalysis and seaborn 2D with kde + R = Ramachandran(atomgroup).run() + fig, ax = plt.subplots(figsize=plt.figaspect(1)) + R.plot(ax=ax, color='k', marker='.', ref=True) + + a = R.angles.reshape(np.prod(R.angles.shape[:2]), 2) + # open hdf file + with h5py.File(args.o_data1, 'a') as f: + setname = "%s" % (selection) + f["/" + setname + "/ramachandran/phi"] = a[:, 0] + f["/" + setname + "/ramachandran/psi"] = a[:, 1] + plt.tight_layout() + # svg is better but sticking with png for now + plt.savefig(outputfile1, format=image_format) + + sns.reset_defaults() + importlib.reload(plt) + importlib.reload(sns) + with sns.axes_style("white"): + h = sns.jointplot(x=a[:, 0], y=a[:, 1], + kind="kde", space=0) + h.set_axis_labels(r'$\phi$ (deg)', r'$\psi$ (deg)') + h.ax_joint.set_xlim(-180, 180) + h.ax_joint.set_ylim(-180, 180) + h.ax_joint.xaxis.set_major_locator(ticker.MultipleLocator(60)) + h.ax_joint.yaxis.set_major_locator(ticker.MultipleLocator(60)) + plt.savefig(outputfile2, format=image_format, bbox_inches='tight') + + +def get_base64_encoded_image(image_path): + """ encode image to string for use in html later""" + with open(image_path, "rb") as img_file: + return base64.b64encode(img_file.read()).decode('utf-8') + + +plots = [] +if args.igroupby is not None: + for k, v in group_selections.items(): + print(k, v) + try: + ramachandran_plot(v, str(k), "ramachandran1" + + str(k), "ramachandran2" + str(k)) + plots.append({'Name': "%s" % (k), 'plot1': + get_base64_encoded_image("ramachandran1" + str(k)), + 'plot2': get_base64_encoded_image("ramachandran2" + + str(k))}) + except Exception as einstance: + print(type(einstance)) + print(einstance.args) + print(einstance) + +ramachandran_plot(r, selection, args.o_plot1, args.o_plot2) +plots.insert(0, {'Name': selection, 'plot1': get_base64_encoded_image( + args.o_plot1), 'plot2': get_base64_encoded_image(args.o_plot2)}) + +template_environment = Environment(loader=FileSystemLoader( + currentpath), lstrip_blocks=True, trim_blocks=True) +template = template_environment.get_template( + 'ramachandran_auto_protein_html.j2') +with open(args.o_html1, 'w+') as f: + f.write(template.render(title="Ramachandran Plots", plots=plots))
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/ramachandran_auto_protein.xml Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,127 @@ +<tool id="mdanalysis_ramachandran_protein" name="Ramachandran Analysis" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@"> + <description>- Ramachandran plot for proteins</description> + <macros> + <import>macros.xml</import> + <token name="@GALAXY_VERSION@">0</token> + </macros> + <expand macro="requirements"> + <requirement type="package" version="0.10.0">seaborn</requirement> + <requirement type="package" version="2.10.0">h5py</requirement> + <requirement type="package" version="2.11.1">jinja2</requirement> + </expand> + <command detect_errors="exit_code"><![CDATA[ + python '$__tool_directory__/ramachandran_auto_protein.py' + --itraj '$trajin' + --istr '$strin' + --itrajext '$trajin.ext' + --istrext '$strin.ext' + --isegid1 '$segid1' + #if $resid1 and $resid2: + --iresid1 '$resid1' + --iresid2 '$resid2' + #end if + #if $resname: + --iresname '$resname' + #end if + --itemplatepath '$__tool_directory__' + #if $groupby: + --igroupby '$groupby' + #end if + --o_plot1 '$o_plot1' + --o_plot2 '$o_plot2' + --o_data1 '$o_data1' + --o_html1 '$o_html1' + 2>&1 +]]></command> + <inputs> + <expand macro="analysis_inputs" /> + <param name="segid1" type="text" value="PROA" label="Segment ID of the protein" help="A valid segment ID selection for the current molecular system"> + <validator type="regex" message="Maximum of 8 characters allowed.">^[a-zA-Z0-9]{1,8}$</validator> + </param> + <param name="groupby" type="select" optional="true" label="Groupby analysis" help="Optional, create a groupby of the selection using residue name or id"> + <option value="name">ResidueName</option> + <option value="id">ResidueID</option> + </param> + <param name="resname" optional="true" type="text" label="Residue Name" help="Optional, choose a residue name to refine the selection, e.g. ALA"> + <validator type="regex" message="Maximum of 8 characters allowed.">^[a-zA-Z0-9]{1,8}$</validator> + </param> + <param name="resid1" optional="true" type="text" label="start Residue ID" help="Optional, choose a residue ID to refine the selection, e.g. 5"> + <validator type="regex" message="Maximum of 6 digits allowed.">^[0-9]{1,6}$</validator> + </param> + <param name="resid2" optional="true" type="text" label="end Residue ID" help="Optional, choose a residue ID to refine the selection, e.g. 10"> + <validator type="regex" message="Maximum of 6 digits allowed.">^[0-9]{1,6}$</validator> + </param> + </inputs> + <outputs> + <data format="png" name="o_plot1" label="MDAnalysis Ramachandran plot" /> + <data format="png" name="o_plot2" label="Seaborn Ramachandran plot" /> + <data format="h5" name="o_data1" label="Ramachandran in HDF5 format" /> + <data format="html" name="o_html1" label="Ramachandran plot summary" /> + </outputs> + <tests> + <test> + <param name="trajin" value="test.dcd" ftype="dcd" /> + <param name="strin" value="test.pdb" ftype="pdb" /> + <param name="segid1" value="PRO" /> + <param name="groupby" value="name" /> + <output name="o_html1"> + <assert_contents> + <has_text text="table" /> + <has_text text="(segid PRO) and resname MET" /> + <has_text text="(segid PRO) and resname VAL" /> + </assert_contents> + </output> + <output name="o_plot1"> + <assert_contents> + <has_size value="53682" delta="3000" /> + </assert_contents> + </output> + <output name="o_plot2"> + <assert_contents> + <has_size value="31740" delta="3000" /> + </assert_contents> + </output> + <output name="o_data1"> + <assert_contents> + <has_size value="293824" delta="3000" /> + </assert_contents> + </output> + </test> + </tests> + <help><![CDATA[ +.. class:: infomark + +**What it does** + +Creates a Ramachandran plot for proteins. All protein [φ,ψ] angles for a given segment ID are automatically selected for an entire trajectory and an averaged Ramachandran plot is returned. Optionally the selection can be refined by residue ID or residue name. Optionally the average Ramachandran plot can be deconvoluted and returned grouped by residue name or residue ID. + + +_____ + + +.. class:: infomark + +**Input** + + - Structure file (PDB) + - Trajectory file (DCD). + - Segment ID + - Optionally: Group data by residue name or residue ID + - Optionally: refine selection by residue ID range or residue name (e.g. ALA) + +Note that a MDAnalysis 'segment' is a larger organizational unit, for example one protein or all the solvent molecules or simply the whole system. + +_____ + + +.. class:: infomark + +**Output** + + - Image (as png) of the Ramachandran from MDanalyis with the allowed regions as a background. + - Image (as png) of the Ramachandran plot as a distribution. + - Data (H5 format). All phi, psi timeseries raw data in HDF5 format. + - All plot images tabulated (in html). To view the HTML in Galaxy this tool must be added to the allowlist by a Galaxy Admin. + ]]></help> + <expand macro="citations" /> +</tool>
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/ramachandran_auto_protein_html.j2 Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,25 @@ +<html> + +<head> + <meta http-equiv="Content-Type" content="text/html; charset=UTF-8" /> + <title>{{ title }}</title> +</head> + +<body> + <table> + <tr> + <th>Selection</th> + <th>Ramachandran scatter plot</th> + <th>Ramachandran histogram </th> + </tr> + {% for plot in plots %} + <tr> + <td>{{ plot['Name'] }}</td> + <td style="vertical-align:center"><img src="data:image/png;base64,{{plot['plot1']}}" /> </td> + <td style="vertical-align:center"><img src="data:image/png;base64,{{plot['plot2']}}" /> </td> + </tr> + {% endfor %} + </table> +</body> + +</html>
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/ramachandran_plots.py Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,112 @@ +#!/usr/bin/env python + +import argparse +import csv +import sys +from collections import namedtuple + +import MDAnalysis as mda +from MDAnalysis.lib.distances import calc_dihedrals + +import matplotlib +import matplotlib.pyplot as plt +import matplotlib.ticker as ticker + + +import numpy as np + +import seaborn as sns + + +import yaml + +matplotlib.use('Agg') # noqa + + +def parse_command_line(argv): + parser = argparse.ArgumentParser() + parser.add_argument('--itraj', help='input traj') + parser.add_argument('--istr', help='input str') + parser.add_argument('--itrajext', help='input traj ext') + parser.add_argument('--istrext', help='input str ext') + parser.add_argument('--iyml', help='input in yml format') + parser.add_argument('--output', help='output') + parser.add_argument('--oramachandran_plot', help='dihedral plot') + return parser.parse_args() + + +args = parse_command_line(sys.argv) + +with open(args.iyml) as file: + params = yaml.load(file, Loader=yaml.FullLoader) + +Dihedral = namedtuple( + 'Dihedral', ['atom1', 'atom2', 'atom3', 'atom4']) + +for k, v in params.items(): + for a in ['phi', 'psi']: + assert (a in v), "Key %s is missing in inputs: %s " % (a, k) + atoms = [] + for b in ['atom1', 'atom2', 'atom3', 'atom4']: + assert (b in v[a]), "Key %s is missing in inputs: %s %s" % ( + b, k, a) + for c in ['segid', 'resid', 'name']: + assert (c in v[a][b]), \ + "Key %s is missing in inputs: %s %s %s " % (c, k, a, b) + atoms.append("(segid %s and resid %s and name %s)" % + (v[a][b]['segid'], v[a][b]['resid'], v[a][b]['name'])) + print(atoms) + if a == 'phi': + dihe_phi = Dihedral(atoms[0], atoms[1], atoms[2], atoms[3]) + if a == 'psi': + dihe_psi = Dihedral(atoms[0], atoms[1], atoms[2], atoms[3]) + +# order of dihedral atom is the crystallographic definition +# (see glycanstructure.org) + +assert(dihe_phi), "phi dihedral doesn't exist" +assert(dihe_psi), "psi dihedral doesn't exist" + + +def calc_torsion(dihedral): + """atom 1 -4 are valid atom selections. torsion in degrees is returned""" + A = u.select_atoms(dihedral.atom1).positions + B = u.select_atoms(dihedral.atom2).positions + C = u.select_atoms(dihedral.atom3).positions + D = u.select_atoms(dihedral.atom4).positions + + dihe = calc_dihedrals(A, B, C, D) + return np.rad2deg(dihe) + + +u = mda.Universe(args.istr, args.itraj, + topology_format=args.istrext, format=args.itrajext) + +phi_trajdata = np.array( + [(u.trajectory.frame, calc_torsion(dihe_phi)) for ts in u.trajectory]) +psi_trajdata = np.array( + [(u.trajectory.frame, calc_torsion(dihe_psi)) for ts in u.trajectory]) + +print(phi_trajdata, psi_trajdata) + +phi_frame, phi_series = phi_trajdata.T +psi_frame, psi_series = psi_trajdata.T + +phi_series = np.concatenate(phi_series, axis=0) +psi_series = np.concatenate(psi_series, axis=0) + +zip(phi_frame, phi_series, psi_series) + +with open(args.output, 'w') as f: + writer = csv.writer(f, delimiter='\t') + writer.writerows(zip(phi_frame, phi_series, psi_series)) + +with sns.axes_style("white"): + h = sns.jointplot(x=phi_series, y=psi_series, + kind="kde", space=0, legend=True) + h.set_axis_labels(r'$\phi$ (degrees)', r'$\psi$ (degrees)') + h.ax_joint.set_xlim(-180, 180) + h.ax_joint.set_ylim(-180, 180) + h.ax_joint.xaxis.set_major_locator(ticker.MultipleLocator(60)) + h.ax_joint.yaxis.set_major_locator(ticker.MultipleLocator(60)) + plt.savefig(args.oramachandran_plot, format='png', bbox_inches='tight')
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/rdf.py Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,72 @@ +#!/usr/bin/env python + +import argparse +import csv +import sys + +import MDAnalysis as mda +from MDAnalysis.analysis.rdf import InterRDF + +import matplotlib +import matplotlib.pyplot as plt + +import numpy as np + +matplotlib.use('Agg') # noqa + + +def parse_command_line(argv): + parser = argparse.ArgumentParser() + parser.add_argument('--itraj', help='input traj') + parser.add_argument('--istr', help='input str') + parser.add_argument('--itrajext', help='input traj ext') + parser.add_argument('--istrext', help='input str ext') + parser.add_argument('--isegid1', help='segid 1') + parser.add_argument('--iresid1', help='resid 1') + parser.add_argument('--iname1', help='name 1') + parser.add_argument('--isegid2', help='segid 2') + parser.add_argument('--iresid2', help='resid 2') + parser.add_argument('--iname2', help='name 2') + parser.add_argument('--inbins', help='Number of bins in the histogram') + parser.add_argument('--istart', help='Starting Point') + parser.add_argument('--iend', help='End point') + parser.add_argument('--output', help='output') + parser.add_argument('--ordf_plot', help='RDF plot') + return parser.parse_args() + + +args = parse_command_line(sys.argv) + +atom1 = "(segid %s and resid %s and name %s)" % \ + (args.isegid1, args.iresid1, args.iname1) +atom2 = "(segid %s and resid %s and name %s)" % \ + (args.isegid2, args.iresid2, args.iname2) +bins = int(args.inbins) +start = float(args.istart) +end = float(args.iend) + +u = mda.Universe(args.istr, args.itraj, + topology_format=args.istrext, format=args.itrajext) +x = u.select_atoms(atom1) +y = u.select_atoms(atom2) + +rdf = InterRDF(x, y, nbins=bins, range=(start, end)) +rdf.run() +bins = rdf.bins +bins = np.around(bins, decimals=3) +RDF = rdf.rdf +zip(bins, RDF) + +with open(args.output, 'w') as f: + writer = csv.writer(f, delimiter='\t') + writer.writerows(zip(bins, RDF)) + +with open(args.output) as f: + g = [xtmp.strip() for xtmp in f] + data = [tuple(map(float, xtmp.split())) for xtmp in g[0:]] + time = [xtmp[0] for xtmp in data] + rdf = [xtmp[1] for xtmp in data] + plt.plot(time, rdf) + plt.xlabel(r'r ($\AA$)') + plt.ylabel('g(r)') + plt.savefig(args.ordf_plot, format='png')
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/Angle_Analysis_raw_data.tabular Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,15 @@ +0.0 70.84919180880273 +1.0 70.97155495136695 +2.0 70.37097279938007 +3.0 70.12692388497567 +4.0 71.15946406922332 +5.0 71.91362565497833 +6.0 71.91268728348935 +7.0 71.97418402125982 +8.0 72.1521609490865 +9.0 72.3083065219282 +10.0 71.5291313235259 +11.0 81.56576116363512 +12.0 73.46330915394758 +13.0 67.04185741201445 +14.0 70.0710549275429
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/Dihedral_analysis_raw_data.tabular Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,15 @@ +0 -61.75347431106646 +1 -63.57940223575045 +2 -64.3468375822089 +3 -64.2932006449013 +4 -66.17815780069928 +5 -64.57418410935712 +6 -63.95470182210953 +7 -63.215898370961455 +8 -63.05227933072821 +9 -63.350881174296354 +10 -64.12889787645014 +11 -59.11099982465991 +12 -76.10678081593274 +13 -74.55530125465415 +14 -71.01850912317343
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/Distance_Analysis_raw_data.tabular Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,15 @@ +0 3.8900816 +1 3.7835152 +2 3.7693398 +3 3.7851014 +4 3.6331043 +5 3.6525042 +6 3.684632 +7 3.7285593 +8 3.7090275 +9 3.6880326 +10 3.7261977 +11 3.4300115 +12 3.3902843 +13 3.3456264 +14 3.2583153
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/RDF_raw_data.tabular Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,100 @@ +0.025 0.0 +0.075 0.0 +0.125 0.0 +0.175 0.0 +0.225 0.0 +0.275 0.0 +0.325 0.0 +0.375 0.0 +0.425 0.0 +0.475 0.0 +0.525 0.0 +0.575 0.0 +0.625 0.0 +0.675 0.0 +0.725 0.0 +0.775 0.0 +0.825 0.0 +0.875 0.0 +0.925 0.0 +0.975 0.0 +1.025 0.0 +1.075 0.0 +1.125 0.0 +1.175 0.0 +1.225 0.0 +1.275 0.0 +1.325 0.0 +1.375 0.0 +1.425 0.0 +1.475 0.0 +1.525 0.0 +1.575 0.0 +1.625 0.0 +1.675 0.0 +1.725 0.0 +1.775 0.0 +1.825 0.0 +1.875 0.0 +1.925 0.0 +1.975 0.0 +2.025 0.0 +2.075 0.0 +2.125 0.0 +2.175 0.0 +2.225 0.0 +2.275 0.0 +2.325 0.0 +2.375 0.0 +2.425 0.0 +2.475 0.0 +2.525 0.0 +2.575 0.0 +2.625 0.0 +2.675 0.0 +2.725 0.0 +2.775 0.0 +2.825 0.0 +2.875 0.0 +2.925 0.0 +2.975 0.0 +3.025 0.0 +3.075 0.0 +3.125 0.0 +3.175 0.0 +3.225 0.0 +3.275 6336.434022284689 +3.325 6147.300995012225 +3.375 5966.511251797981 +3.425 5793.58118212878 +3.475 0.0 +3.525 0.0 +3.575 0.0 +3.625 5171.934954710286 +3.675 15096.484661102078 +3.725 14693.935913907942 +3.775 14307.27600154838 +3.825 0.0 +3.875 4526.124773895681 +3.925 0.0 +3.975 0.0 +4.025 0.0 +4.075 0.0 +4.125 0.0 +4.175 0.0 +4.225 0.0 +4.275 0.0 +4.325 0.0 +4.375 0.0 +4.425 0.0 +4.475 0.0 +4.525 0.0 +4.575 0.0 +4.625 0.0 +4.675 0.0 +4.725 0.0 +4.775 0.0 +4.825 0.0 +4.875 0.0 +4.925 0.0 +4.975 0.0
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/Ramachandran_Plot_raw_data.tabular Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,15 @@ +0 -144.50369390751567 97.28315803510958 +1 -140.8182020539229 98.03359173250509 +2 -140.72994628351444 97.24540656140032 +3 -139.74848490172678 96.50804547826581 +4 -134.87886646306 95.11565955448816 +5 -133.72523437825183 98.27907111162767 +6 -132.95986510869454 98.00598700434969 +7 -132.83978048218802 97.90284983563569 +8 -132.446606581017 97.95362964393432 +9 -132.8171707044048 98.22639981540117 +10 -129.18708154562577 93.19031937895272 +11 -138.70826130463465 99.35902431554985 +12 -134.31372026825582 86.39732109628024 +13 -135.62845675103858 89.17557531169159 +14 -151.1966272020228 101.09732806451846
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/Ramachandran_Plot_raw_data_gmx.tabular Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,15 @@ +0 -144.6049403672638 97.68547741778757 +1 -141.28378752267525 97.77436430526272 +2 -140.5507581701893 96.64897577753301 +3 -139.80360840706982 96.77167935748881 +4 -134.73236008867292 95.35031471736332 +5 -133.2788812847167 97.90764978970712 +6 -132.85758534848696 97.74270020478778 +7 -132.92861986639113 98.03936669749623 +8 -132.36160579612704 97.75307833579126 +9 -133.24942867028537 98.47767719548273 +10 -129.07281864740457 93.50325320406353 +11 -138.52555276641212 98.65922847590556 +12 -134.17197735904452 86.3334209333448 +13 -135.7743412592041 89.34890663035344 +14 -151.15173106037906 101.47282449338631
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/list1.txt Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,1 @@ +resid 212 and name OE2
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/list2.txt Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,1 @@ +resid 3 and name C1
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/test.gro Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,61652 @@ +Glycine aRginine prOline Methionine Alanine Cystine Serine +61649 + 2SER N 1 2.371 0.440 0.529 + 2SER HT1 2 2.277 0.401 0.505 + 2SER HT2 3 2.399 0.406 0.623 + 2SER HT3 4 2.441 0.402 0.461 + 2SER CA 5 2.369 0.591 0.523 + 2SER HA 6 2.305 0.626 0.603 + 2SER CB 7 2.513 0.648 0.547 + 2SER HB1 8 2.550 0.611 0.645 + 2SER HB2 9 2.511 0.759 0.552 + 2SER OG 10 2.603 0.606 0.444 + 2SER HG1 11 2.693 0.638 0.465 + 2SER C 12 2.309 0.645 0.394 + 2SER O 13 2.229 0.574 0.331 + 3ALA N 14 2.342 0.767 0.352 + 3ALA HN 15 2.411 0.824 0.396 + 3ALA CA 16 2.294 0.828 0.229 + 3ALA HA 17 2.242 0.755 0.168 + 3ALA CB 18 2.201 0.948 0.258 + 3ALA HB1 19 2.251 1.022 0.324 + 3ALA HB2 20 2.109 0.913 0.308 + 3ALA HB3 21 2.172 0.998 0.164 + 3ALA C 22 2.415 0.875 0.151 + 3ALA O 23 2.517 0.908 0.207 + 4CYS N 24 2.401 0.875 0.017 + 4CYS HN 25 2.314 0.848 -0.026 + 4CYS CA 26 2.503 0.915 -0.077 + 4CYS HA 27 2.577 0.976 -0.027 + 4CYS CB 28 2.570 0.795 -0.148 + 4CYS HB1 29 2.626 0.829 -0.238 + 4CYS HB2 30 2.491 0.726 -0.185 + 4CYS SG 31 2.689 0.708 -0.041 + 4CYS C 32 2.434 1.003 -0.177 + 4CYS O 33 2.310 1.011 -0.185 + 5THR N 34 2.513 1.082 -0.251 + 5THR HN 35 2.612 1.073 -0.243 + 5THR CA 36 2.463 1.189 -0.334 + 5THR HA 37 2.359 1.168 -0.361 + 5THR CB 38 2.471 1.327 -0.267 + 5THR HB 39 2.436 1.406 -0.337 + 5THR OG1 40 2.605 1.358 -0.227 + 5THR HG1 41 2.654 1.352 -0.310 + 5THR CG2 42 2.379 1.330 -0.145 + 5THR HG21 43 2.413 1.259 -0.066 + 5THR HG22 44 2.276 1.300 -0.175 + 5THR HG23 45 2.375 1.431 -0.100 + 5THR C 46 2.539 1.190 -0.465 + 5THR O 47 2.581 1.296 -0.511 + 6LEU N 48 2.559 1.072 -0.527 + 6LEU HN 49 2.522 0.985 -0.489 + 6LEU CA 50 2.613 1.064 -0.662 + 6LEU HA 51 2.693 1.135 -0.673 + 6LEU CB 52 2.664 0.921 -0.694 + 6LEU HB1 53 2.704 0.919 -0.798 + 6LEU HB2 54 2.578 0.850 -0.687 + 6LEU CG 55 2.774 0.867 -0.600 + 6LEU HG 56 2.733 0.865 -0.496 + 6LEU CD1 57 2.810 0.722 -0.638 + 6LEU 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-0.763 + 8SER HB1 89 2.137 1.588 -0.771 + 8SER HB2 90 1.971 1.615 -0.705 + 8SER OG 91 1.987 1.530 -0.897 + 8SER HG1 92 1.897 1.493 -0.894 + 8SER C 93 1.913 1.356 -0.653 + 8SER O 94 1.836 1.312 -0.739 + 9GLU N 95 1.878 1.361 -0.524 + 9GLU HN 96 1.939 1.399 -0.454 + 9GLU CA 97 1.747 1.325 -0.477 + 9GLU HA 98 1.703 1.252 -0.544 + 9GLU CB 99 1.749 1.263 -0.335 + 9GLU HB1 100 1.803 1.331 -0.266 + 9GLU HB2 101 1.808 1.168 -0.340 + 9GLU CG 102 1.609 1.230 -0.275 + 9GLU HG1 103 1.547 1.322 -0.264 + 9GLU HG2 104 1.621 1.188 -0.173 + 9GLU CD 105 1.533 1.126 -0.358 + 9GLU OE1 106 1.593 1.059 -0.442 + 9GLU OE2 107 1.408 1.106 -0.335 + 9GLU C 108 1.660 1.448 -0.481 + 9GLU O 109 1.694 1.553 -0.426 + 10THR N 110 1.548 1.441 -0.555 + 10THR HN 111 1.522 1.354 -0.598 + 10THR CA 112 1.455 1.551 -0.566 + 10THR HA 113 1.464 1.616 -0.480 + 10THR CB 114 1.471 1.632 -0.695 + 10THR HB 115 1.462 1.563 -0.783 + 10THR OG1 116 1.599 1.693 -0.700 + 10THR HG1 117 1.658 1.624 -0.668 + 10THR CG2 118 1.365 1.743 -0.706 + 10THR HG21 119 1.362 1.802 -0.612 + 10THR HG22 120 1.264 1.700 -0.724 + 10THR HG23 121 1.390 1.810 -0.791 + 10THR C 122 1.318 1.492 -0.564 + 10THR O 123 1.284 1.410 -0.649 + 11HSD N 124 1.235 1.532 -0.467 + 11HSD HN 125 1.265 1.597 -0.398 + 11HSD CA 126 1.102 1.477 -0.448 + 11HSD HA 127 1.105 1.370 -0.468 + 11HSD CB 128 1.060 1.495 -0.301 + 11HSD HB1 129 0.963 1.444 -0.281 + 11HSD HB2 130 1.048 1.603 -0.278 + 11HSD ND1 131 1.223 1.513 -0.106 + 11HSD HD1 132 1.214 1.612 -0.090 + 11HSD CG 133 1.161 1.439 -0.204 + 11HSD CE1 134 1.298 1.427 -0.033 + 11HSD HE1 135 1.356 1.455 0.054 + 11HSD NE2 136 1.288 1.304 -0.078 + 11HSD CD2 137 1.201 1.310 -0.185 + 11HSD HD2 138 1.174 1.221 -0.240 + 11HSD C 139 1.001 1.546 -0.538 + 11HSD O 140 0.996 1.671 -0.535 + 12PRO N 141 0.919 1.481 -0.620 + 12PRO CD 142 0.939 1.342 -0.663 + 12PRO HD1 143 0.901 1.273 -0.584 + 12PRO HD2 144 1.046 1.320 -0.682 + 12PRO CA 145 0.811 1.545 -0.693 + 12PRO HA 146 0.859 1.616 -0.758 + 12PRO CB 147 0.745 1.432 -0.774 + 12PRO HB1 148 0.706 1.467 -0.871 + 12PRO HB2 149 0.661 1.386 -0.716 + 12PRO CG 150 0.856 1.327 -0.790 + 12PRO HG1 151 0.816 1.224 -0.803 + 12PRO HG2 152 0.918 1.353 -0.879 + 12PRO C 153 0.712 1.619 -0.603 + 12PRO O 154 0.660 1.554 -0.513 + 13PRO N 155 0.682 1.749 -0.618 + 13PRO CD 156 0.727 1.833 -0.729 + 13PRO HD1 157 0.722 1.780 -0.826 + 13PRO HD2 158 0.832 1.864 -0.707 + 13PRO CA 159 0.582 1.817 -0.537 + 13PRO HA 160 0.605 1.803 -0.432 + 13PRO CB 161 0.594 1.964 -0.580 + 13PRO HB1 162 0.677 2.011 -0.523 + 13PRO HB2 163 0.501 2.021 -0.563 + 13PRO CG 164 0.633 1.953 -0.728 + 13PRO HG1 165 0.543 1.930 -0.787 + 13PRO HG2 166 0.680 2.046 -0.767 + 13PRO C 167 0.444 1.761 -0.560 + 13PRO O 168 0.410 1.724 -0.673 + 14LEU N 169 0.362 1.755 -0.454 + 14LEU HN 170 0.393 1.785 -0.364 + 14LEU CA 171 0.225 1.713 -0.465 + 14LEU HA 172 0.188 1.735 -0.565 + 14LEU CB 173 0.210 1.562 -0.435 + 14LEU HB1 174 0.246 1.542 -0.331 + 14LEU HB2 175 0.278 1.506 -0.504 + 14LEU CG 176 0.068 1.504 -0.450 + 14LEU HG 177 -0.002 1.560 -0.384 + 14LEU CD1 178 0.017 1.514 -0.595 + 14LEU HD11 179 0.087 1.464 -0.665 + 14LEU HD12 180 0.006 1.620 -0.626 + 14LEU HD13 181 -0.082 1.465 -0.604 + 14LEU CD2 182 0.066 1.357 -0.405 + 14LEU HD21 183 0.103 1.348 -0.301 + 14LEU HD22 184 0.131 1.295 -0.472 + 14LEU HD23 185 -0.037 1.317 -0.410 + 14LEU C 186 0.144 1.796 -0.369 + 14LEU O 187 0.174 1.806 -0.250 + 15THR N 188 0.039 1.863 -0.419 + 15THR HN 189 0.015 1.860 -0.516 + 15THR CA 190 -0.046 1.946 -0.335 + 15THR HA 191 0.007 1.970 -0.244 + 15THR CB 192 -0.086 2.080 -0.395 + 15THR HB 193 -0.146 2.137 -0.320 + 15THR OG1 194 -0.162 2.070 -0.515 + 15THR HG1 195 -0.194 2.160 -0.529 + 15THR CG2 196 0.041 2.160 -0.426 + 15THR HG21 197 0.103 2.109 -0.502 + 15THR HG22 198 0.101 2.174 -0.334 + 15THR HG23 199 0.015 2.261 -0.465 + 15THR C 200 -0.169 1.869 -0.292 + 15THR O 201 -0.210 1.770 -0.352 + 16TRP N 202 -0.229 1.913 -0.181 + 16TRP HN 203 -0.196 1.993 -0.132 + 16TRP CA 204 -0.343 1.846 -0.123 + 16TRP HA 205 -0.409 1.815 -0.203 + 16TRP CB 206 -0.303 1.720 -0.040 + 16TRP HB1 207 -0.257 1.648 -0.110 + 16TRP HB2 208 -0.394 1.672 -0.001 + 16TRP CG 209 -0.207 1.742 0.074 + 16TRP CD1 210 -0.070 1.755 0.066 + 16TRP HD1 211 -0.014 1.753 -0.027 + 16TRP NE1 212 -0.019 1.769 0.192 + 16TRP HE1 213 0.076 1.775 0.218 + 16TRP CE2 214 -0.119 1.763 0.284 + 16TRP CD2 215 -0.240 1.745 0.214 + 16TRP CE3 216 -0.360 1.734 0.284 + 16TRP HE3 217 -0.454 1.719 0.233 + 16TRP CZ3 218 -0.357 1.742 0.424 + 16TRP HZ3 219 -0.449 1.732 0.479 + 16TRP CZ2 220 -0.116 1.770 0.423 + 16TRP HZ2 221 -0.022 1.783 0.475 + 16TRP CH2 222 -0.236 1.758 0.492 + 16TRP HH2 223 -0.235 1.758 0.600 + 16TRP C 224 -0.418 1.950 -0.044 + 16TRP O 225 -0.373 2.065 -0.031 + 17GLN N 226 -0.537 1.917 0.006 + 17GLN HN 227 -0.573 1.824 -0.010 + 17GLN CA 228 -0.626 2.010 0.072 + 17GLN HA 229 -0.583 2.109 0.073 + 17GLN CB 230 -0.764 2.012 0.003 + 17GLN HB1 231 -0.837 2.069 0.065 + 17GLN HB2 232 -0.800 1.908 -0.003 + 17GLN CG 233 -0.764 2.073 -0.139 + 17GLN HG1 234 -0.863 2.058 -0.185 + 17GLN HG2 235 -0.689 2.021 -0.202 + 17GLN CD 236 -0.738 2.223 -0.135 + 17GLN OE1 237 -0.808 2.295 -0.063 + 17GLN NE2 238 -0.642 2.274 -0.215 + 17GLN HE21 239 -0.634 2.374 -0.218 + 17GLN HE22 240 -0.592 2.214 -0.277 + 17GLN C 241 -0.647 1.969 0.217 + 17GLN O 242 -0.672 1.854 0.247 + 18LYS N 243 -0.643 2.068 0.308 + 18LYS HN 244 -0.622 2.162 0.282 + 18LYS CA 245 -0.681 2.044 0.446 + 18LYS HA 246 -0.704 1.939 0.461 + 18LYS CB 247 -0.572 2.082 0.548 + 18LYS HB1 248 -0.557 2.193 0.548 + 18LYS HB2 249 -0.477 2.036 0.513 + 18LYS CG 250 -0.602 2.029 0.689 + 18LYS HG1 251 -0.599 1.918 0.685 + 18LYS HG2 252 -0.706 2.058 0.719 + 18LYS CD 253 -0.505 2.082 0.795 + 18LYS HD1 254 -0.524 2.191 0.804 + 18LYS HD2 255 -0.400 2.071 0.761 + 18LYS CE 256 -0.523 2.022 0.936 + 18LYS HE1 257 -0.629 2.030 0.967 + 18LYS HE2 258 -0.460 2.078 1.007 + 18LYS NZ 259 -0.484 1.879 0.943 + 18LYS HZ1 260 -0.382 1.870 0.916 + 18LYS HZ2 261 -0.543 1.823 0.879 + 18LYS HZ3 262 -0.494 1.842 1.040 + 18LYS C 263 -0.807 2.123 0.471 + 18LYS O 264 -0.810 2.247 0.457 + 19CYS N 265 -0.916 2.053 0.503 + 19CYS HN 266 -0.908 1.953 0.517 + 19CYS CA 267 -1.048 2.108 0.522 + 19CYS HA 268 -1.051 2.208 0.481 + 19CYS CB 269 -1.156 2.025 0.449 + 19CYS HB1 270 -1.257 2.069 0.465 + 19CYS HB2 271 -1.158 1.922 0.492 + 19CYS SG 272 -1.125 2.012 0.271 + 19CYS C 273 -1.080 2.122 0.669 + 19CYS O 274 -1.012 2.070 0.757 + 20SER N 275 -1.184 2.200 0.700 + 20SER HN 276 -1.239 2.242 0.628 + 20SER CA 277 -1.219 2.236 0.835 + 20SER HA 278 -1.175 2.165 0.905 + 20SER CB 279 -1.174 2.380 0.870 + 20SER HB1 280 -1.064 2.388 0.858 + 20SER HB2 281 -1.197 2.404 0.976 + 20SER OG 282 -1.238 2.478 0.788 + 20SER HG1 283 -1.200 2.474 0.699 + 20SER C 284 -1.368 2.228 0.854 + 20SER O 285 -1.447 2.229 0.760 + 21SER N 286 -1.412 2.226 0.981 + 21SER HN 287 -1.350 2.226 1.059 + 21SER CA 288 -1.552 2.220 1.019 + 21SER HA 289 -1.601 2.146 0.956 + 21SER CB 290 -1.566 2.177 1.167 + 21SER HB1 291 -1.521 2.076 1.178 + 21SER HB2 292 -1.673 2.169 1.196 + 21SER OG 293 -1.495 2.268 1.252 + 21SER HG1 294 -1.550 2.347 1.260 + 21SER C 295 -1.625 2.352 1.000 + 21SER O 296 -1.746 2.360 1.013 + 22GLY N 297 -1.549 2.461 0.971 + 22GLY HN 298 -1.450 2.451 0.966 + 22GLY CA 299 -1.604 2.591 0.933 + 22GLY HA1 300 -1.523 2.663 0.936 + 22GLY HA2 301 -1.686 2.617 0.999 + 22GLY C 302 -1.657 2.591 0.792 + 22GLY O 303 -1.741 2.674 0.755 + 23GLY N 304 -1.610 2.497 0.709 + 23GLY HN 305 -1.542 2.431 0.744 + 23GLY CA 306 -1.661 2.475 0.575 + 23GLY HA1 307 -1.756 2.525 0.561 + 23GLY HA2 308 -1.668 2.368 0.561 + 23GLY C 309 -1.567 2.526 0.470 + 23GLY O 310 -1.609 2.554 0.358 + 24THR N 311 -1.439 2.539 0.503 + 24THR HN 312 -1.408 2.519 0.596 + 24THR CA 313 -1.336 2.591 0.415 + 24THR HA 314 -1.376 2.602 0.315 + 24THR CB 315 -1.277 2.725 0.458 + 24THR HB 316 -1.189 2.753 0.396 + 24THR OG1 317 -1.238 2.724 0.595 + 24THR HG1 318 -1.215 2.816 0.618 + 24THR CG2 319 -1.386 2.832 0.441 + 24THR HG21 320 -1.471 2.813 0.510 + 24THR HG22 321 -1.424 2.830 0.337 + 24THR HG23 322 -1.345 2.933 0.461 + 24THR C 323 -1.224 2.490 0.406 + 24THR O 324 -1.196 2.416 0.499 + 25CYS N 325 -1.157 2.486 0.288 + 25CYS HN 326 -1.183 2.544 0.212 + 25CYS CA 327 -1.039 2.406 0.269 + 25CYS HA 328 -1.008 2.363 0.362 + 25CYS CB 329 -1.057 2.294 0.163 + 25CYS HB1 330 -0.964 2.233 0.157 + 25CYS HB2 331 -1.072 2.342 0.064 + 25CYS SG 332 -1.200 2.185 0.194 + 25CYS C 333 -0.928 2.498 0.227 + 25CYS O 334 -0.952 2.611 0.179 + 26THR N 335 -0.804 2.457 0.250 + 26THR HN 336 -0.789 2.365 0.288 + 26THR CA 337 -0.684 2.536 0.227 + 26THR HA 338 -0.705 2.612 0.154 + 26THR CB 339 -0.625 2.599 0.354 + 26THR HB 340 -0.522 2.639 0.334 + 26THR OG1 341 -0.621 2.507 0.463 + 26THR HG1 342 -0.702 2.456 0.454 + 26THR CG2 343 -0.715 2.715 0.397 + 26THR HG21 344 -0.816 2.679 0.426 + 26THR HG22 345 -0.728 2.788 0.314 + 26THR HG23 346 -0.670 2.768 0.484 + 26THR C 347 -0.579 2.444 0.168 + 26THR O 348 -0.559 2.334 0.215 + 27GLN N 349 -0.511 2.490 0.059 + 27GLN HN 350 -0.537 2.576 0.015 + 27GLN CA 351 -0.401 2.414 0.002 + 27GLN HA 352 -0.441 2.315 -0.018 + 27GLN CB 353 -0.355 2.470 -0.136 + 27GLN HB1 354 -0.321 2.574 -0.122 + 27GLN HB2 355 -0.445 2.473 -0.202 + 27GLN CG 356 -0.243 2.386 -0.204 + 27GLN HG1 357 -0.276 2.280 -0.209 + 27GLN HG2 358 -0.149 2.390 -0.146 + 27GLN CD 359 -0.212 2.431 -0.347 + 27GLN OE1 360 -0.234 2.360 -0.445 + 27GLN NE2 361 -0.156 2.553 -0.360 + 27GLN HE21 362 -0.128 2.582 -0.451 + 27GLN HE22 363 -0.123 2.601 -0.279 + 27GLN C 364 -0.283 2.392 0.096 + 27GLN O 365 -0.239 2.480 0.170 + 28GLN N 366 -0.229 2.270 0.093 + 28GLN HN 367 -0.271 2.199 0.035 + 28GLN CA 368 -0.111 2.228 0.162 + 28GLN HA 369 -0.066 2.310 0.217 + 28GLN CB 370 -0.140 2.106 0.252 + 28GLN HB1 371 -0.049 2.081 0.312 + 28GLN HB2 372 -0.163 2.018 0.188 + 28GLN CG 373 -0.261 2.123 0.348 + 28GLN HG1 374 -0.270 2.030 0.408 + 28GLN HG2 375 -0.354 2.134 0.289 + 28GLN CD 376 -0.245 2.240 0.445 + 28GLN OE1 377 -0.160 2.240 0.533 + 28GLN NE2 378 -0.333 2.343 0.434 + 28GLN HE21 379 -0.397 2.346 0.357 + 28GLN HE22 380 -0.324 2.418 0.498 + 28GLN C 381 -0.017 2.185 0.051 + 28GLN O 382 -0.061 2.140 -0.055 + 29THR N 383 0.115 2.199 0.070 + 29THR HN 384 0.152 2.230 0.157 + 29THR CA 385 0.212 2.159 -0.032 + 29THR HA 386 0.163 2.109 -0.114 + 29THR CB 387 0.293 2.276 -0.087 + 29THR HB 388 0.352 2.325 -0.007 + 29THR OG1 389 0.206 2.374 -0.144 + 29THR HG1 390 0.141 2.392 -0.075 + 29THR CG2 391 0.387 2.227 -0.199 + 29THR HG21 392 0.331 2.174 -0.278 + 29THR HG22 393 0.464 2.158 -0.159 + 29THR HG23 394 0.440 2.313 -0.245 + 29THR C 395 0.307 2.060 0.031 + 29THR O 396 0.377 2.093 0.126 + 30GLY N 397 0.308 1.936 -0.022 + 30GLY HN 398 0.253 1.913 -0.102 + 30GLY CA 399 0.398 1.830 0.020 + 30GLY HA1 400 0.337 1.747 0.053 + 30GLY HA2 401 0.468 1.864 0.094 + 30GLY C 402 0.476 1.783 -0.099 + 30GLY O 403 0.488 1.852 -0.201 + 31SER N 404 0.530 1.662 -0.092 + 31SER HN 405 0.521 1.604 -0.011 + 31SER CA 406 0.607 1.603 -0.200 + 31SER HA 407 0.555 1.621 -0.293 + 31SER CB 408 0.753 1.657 -0.211 + 31SER HB1 409 0.748 1.765 -0.233 + 31SER HB2 410 0.805 1.607 -0.295 + 31SER OG 411 0.826 1.639 -0.089 + 31SER HG1 412 0.916 1.671 -0.101 + 31SER C 413 0.603 1.454 -0.178 + 31SER O 414 0.555 1.409 -0.075 + 32VAL N 415 0.646 1.373 -0.277 + 32VAL HN 416 0.681 1.410 -0.362 + 32VAL CA 417 0.645 1.228 -0.266 + 32VAL HA 418 0.610 1.200 -0.168 + 32VAL CB 419 0.554 1.157 -0.367 + 32VAL HB 420 0.564 1.047 -0.354 + 32VAL CG1 421 0.407 1.194 -0.337 + 32VAL HG11 422 0.390 1.303 -0.350 + 32VAL HG12 423 0.382 1.166 -0.232 + 32VAL HG13 424 0.339 1.139 -0.405 + 32VAL CG2 425 0.591 1.192 -0.513 + 32VAL HG21 426 0.695 1.163 -0.536 + 32VAL HG22 427 0.580 1.301 -0.530 + 32VAL HG23 428 0.524 1.139 -0.583 + 32VAL C 429 0.786 1.172 -0.275 + 32VAL O 430 0.870 1.224 -0.348 + 33VAL N 431 0.814 1.066 -0.198 + 33VAL HN 432 0.745 1.028 -0.136 + 33VAL CA 433 0.944 1.003 -0.193 + 33VAL HA 434 1.005 1.041 -0.274 + 33VAL CB 435 1.018 1.031 -0.063 + 33VAL HB 436 1.032 1.142 -0.058 + 33VAL CG1 437 0.937 0.988 0.060 + 33VAL HG11 438 0.927 0.878 0.064 + 33VAL HG12 439 0.835 1.034 0.061 + 33VAL HG13 440 0.989 1.021 0.152 + 33VAL CG2 441 1.158 0.967 -0.060 + 33VAL HG21 442 1.219 1.002 -0.146 + 33VAL HG22 443 1.152 0.856 -0.059 + 33VAL HG23 444 1.210 0.999 0.033 + 33VAL C 445 0.930 0.855 -0.218 + 33VAL O 446 0.839 0.790 -0.165 + 34ILE N 447 1.015 0.797 -0.305 + 34ILE HN 448 1.086 0.851 -0.350 + 34ILE CA 449 1.013 0.654 -0.335 + 34ILE HA 450 0.910 0.622 -0.329 + 34ILE CB 451 1.063 0.621 -0.475 + 34ILE HB 452 1.012 0.692 -0.545 + 34ILE CG2 453 1.215 0.644 -0.488 + 34ILE HG21 454 1.272 0.571 -0.426 + 34ILE HG22 455 1.243 0.747 -0.455 + 34ILE HG23 456 1.248 0.632 -0.593 + 34ILE CG1 457 1.021 0.479 -0.521 + 34ILE HG11 458 0.914 0.464 -0.495 + 34ILE HG12 459 1.079 0.403 -0.464 + 34ILE CD 460 1.037 0.455 -0.671 + 34ILE HD1 461 1.144 0.460 -0.701 + 34ILE HD2 462 0.981 0.531 -0.729 + 34ILE HD3 463 0.998 0.354 -0.699 + 34ILE C 464 1.086 0.575 -0.227 + 34ILE O 465 1.186 0.617 -0.171 + 35ASP N 466 1.030 0.455 -0.198 + 35ASP HN 467 0.944 0.428 -0.241 + 35ASP CA 468 1.082 0.359 -0.103 + 35ASP HA 469 1.084 0.409 -0.007 + 35ASP CB 470 0.983 0.241 -0.093 + 35ASP HB1 471 0.967 0.195 -0.192 + 35ASP HB2 472 0.884 0.279 -0.058 + 35ASP CG 473 1.028 0.134 0.004 + 35ASP OD1 474 1.085 0.031 -0.040 + 35ASP OD2 475 1.009 0.156 0.126 + 35ASP C 476 1.226 0.316 -0.130 + 35ASP O 477 1.276 0.311 -0.243 + 36ALA N 478 1.299 0.284 -0.022 + 36ALA HN 479 1.253 0.284 0.068 + 36ALA CA 480 1.438 0.248 -0.022 + 36ALA HA 481 1.492 0.332 -0.064 + 36ALA CB 482 1.485 0.226 0.123 + 36ALA HB1 483 1.430 0.142 0.169 + 36ALA HB2 484 1.465 0.318 0.183 + 36ALA HB3 485 1.594 0.205 0.126 + 36ALA C 486 1.472 0.127 -0.109 + 36ALA O 487 1.579 0.122 -0.169 + 37ASN N 488 1.382 0.026 -0.119 + 37ASN HN 489 1.292 0.033 -0.074 + 37ASN CA 490 1.406 -0.093 -0.200 + 37ASN HA 491 1.499 -0.136 -0.165 + 37ASN CB 492 1.292 -0.198 -0.189 + 37ASN HB1 493 1.292 -0.266 -0.276 + 37ASN HB2 494 1.193 -0.147 -0.184 + 37ASN CG 495 1.312 -0.286 -0.065 + 37ASN OD1 496 1.399 -0.265 0.018 + 37ASN ND2 497 1.234 -0.398 -0.062 + 37ASN HD21 498 1.246 -0.464 0.012 + 37ASN HD22 499 1.170 -0.416 -0.135 + 37ASN C 500 1.432 -0.066 -0.348 + 37ASN O 501 1.516 -0.131 -0.409 + 38TRP N 502 1.360 0.033 -0.407 + 38TRP HN 503 1.297 0.086 -0.351 + 38TRP CA 504 1.372 0.071 -0.547 + 38TRP HA 505 1.368 -0.019 -0.607 + 38TRP CB 506 1.254 0.164 -0.586 + 38TRP HB1 507 1.281 0.225 -0.675 + 38TRP HB2 508 1.235 0.236 -0.503 + 38TRP CG 509 1.126 0.093 -0.620 + 38TRP CD1 510 1.080 0.072 -0.747 + 38TRP HD1 511 1.131 0.106 -0.837 + 38TRP NE1 512 0.961 0.004 -0.744 + 38TRP HE1 513 0.903 -0.017 -0.820 + 38TRP CE2 514 0.928 -0.021 -0.614 + 38TRP CD2 515 1.029 0.033 -0.532 + 38TRP CE3 516 1.019 0.021 -0.394 + 38TRP HE3 517 1.092 0.063 -0.326 + 38TRP CZ3 518 0.908 -0.045 -0.341 + 38TRP HZ3 519 0.899 -0.055 -0.233 + 38TRP CZ2 520 0.818 -0.087 -0.562 + 38TRP HZ2 521 0.741 -0.129 -0.626 + 38TRP CH2 522 0.809 -0.099 -0.423 + 38TRP HH2 523 0.725 -0.149 -0.378 + 38TRP C 524 1.503 0.140 -0.580 + 38TRP O 525 1.547 0.144 -0.695 + 39ARG N 526 1.569 0.198 -0.479 + 39ARG HN 527 1.533 0.189 -0.386 + 39ARG CA 528 1.693 0.270 -0.493 + 39ARG HA 529 1.679 0.337 -0.577 + 39ARG CB 530 1.723 0.357 -0.369 + 39ARG HB1 531 1.817 0.415 -0.386 + 39ARG HB2 532 1.740 0.291 -0.281 + 39ARG CG 533 1.612 0.458 -0.339 + 39ARG HG1 534 1.515 0.404 -0.322 + 39ARG HG2 535 1.598 0.524 -0.428 + 39ARG CD 536 1.640 0.544 -0.216 + 39ARG HD1 537 1.737 0.598 -0.224 + 39ARG HD2 538 1.644 0.480 -0.124 + 39ARG NE 539 1.525 0.641 -0.203 + 39ARG HE 540 1.448 0.614 -0.147 + 39ARG CZ 541 1.521 0.758 -0.264 + 39ARG NH1 542 1.612 0.807 -0.339 + 39ARG HH11 543 1.696 0.753 -0.358 + 39ARG HH12 544 1.600 0.900 -0.380 + 39ARG NH2 545 1.410 0.834 -0.243 + 39ARG HH21 546 1.412 0.929 -0.276 + 39ARG HH22 547 1.336 0.797 -0.190 + 39ARG C 548 1.814 0.185 -0.526 + 39ARG O 549 1.827 0.067 -0.494 + 40TRP N 550 1.913 0.250 -0.592 + 40TRP HN 551 1.898 0.344 -0.621 + 40TRP CA 552 2.049 0.203 -0.596 + 40TRP HA 553 2.048 0.102 -0.635 + 40TRP CB 554 2.132 0.295 -0.690 + 40TRP HB1 555 2.133 0.396 -0.644 + 40TRP HB2 556 2.079 0.304 -0.787 + 40TRP CG 557 2.274 0.256 -0.720 + 40TRP CD1 558 2.329 0.129 -0.727 + 40TRP HD1 559 2.275 0.037 -0.706 + 40TRP NE1 560 2.460 0.139 -0.766 + 40TRP HE1 561 2.525 0.064 -0.777 + 40TRP CE2 562 2.493 0.270 -0.784 + 40TRP CD2 563 2.379 0.347 -0.757 + 40TRP CE3 564 2.385 0.486 -0.770 + 40TRP HE3 565 2.300 0.549 -0.746 + 40TRP CZ3 566 2.506 0.544 -0.809 + 40TRP HZ3 567 2.513 0.652 -0.814 + 40TRP CZ2 568 2.613 0.327 -0.823 + 40TRP HZ2 569 2.700 0.267 -0.843 + 40TRP CH2 570 2.618 0.466 -0.836 + 40TRP HH2 571 2.710 0.515 -0.865 + 40TRP C 572 2.111 0.199 -0.457 + 40TRP O 573 2.095 0.292 -0.377 + 41THR N 574 2.181 0.090 -0.424 + 41THR HN 575 2.187 0.012 -0.487 + 41THR CA 576 2.248 0.072 -0.297 + 41THR HA 577 2.247 0.164 -0.241 + 41THR CB 578 2.189 -0.041 -0.212 + 41THR HB 579 2.206 -0.140 -0.261 + 41THR OG1 580 2.048 -0.026 -0.199 + 41THR HG1 581 2.016 -0.005 -0.288 + 41THR CG2 582 2.248 -0.039 -0.071 + 41THR HG21 583 2.222 0.056 -0.020 + 41THR HG22 584 2.359 -0.048 -0.073 + 41THR HG23 585 2.207 -0.124 -0.012 + 41THR C 586 2.391 0.034 -0.330 + 41THR O 587 2.418 -0.060 -0.401 + 42HSD N 588 2.487 0.112 -0.276 + 42HSD HN 589 2.466 0.186 -0.213 + 42HSD CA 590 2.626 0.095 -0.313 + 42HSD HA 591 2.647 -0.009 -0.330 + 42HSD CB 592 2.663 0.176 -0.440 + 42HSD HB1 593 2.598 0.142 -0.523 + 42HSD HB2 594 2.768 0.158 -0.470 + 42HSD ND1 595 2.739 0.414 -0.384 + 42HSD HD1 596 2.832 0.391 -0.348 + 42HSD CG 597 2.642 0.323 -0.423 + 42HSD CE1 598 2.684 0.535 -0.388 + 42HSD HE1 599 2.736 0.628 -0.360 + 42HSD NE2 600 2.559 0.531 -0.428 + 42HSD CD2 601 2.533 0.399 -0.451 + 42HSD HD2 602 2.434 0.368 -0.485 + 42HSD C 603 2.709 0.136 -0.195 + 42HSD O 604 2.658 0.188 -0.096 + 43ALA N 605 2.840 0.106 -0.200 + 43ALA HN 606 2.875 0.055 -0.279 + 43ALA CA 607 2.936 0.143 -0.099 + 43ALA HA 608 2.900 0.101 -0.007 + 43ALA CB 609 3.074 0.082 -0.131 + 43ALA HB1 610 3.113 0.125 -0.225 + 43ALA HB2 611 3.065 -0.028 -0.142 + 43ALA HB3 612 3.146 0.103 -0.048 + 43ALA C 613 2.950 0.293 -0.077 + 43ALA O 614 2.931 0.375 -0.168 + 44THR N 615 2.987 0.335 0.043 + 44THR HN 616 3.004 0.271 0.119 + 44THR CA 617 2.998 0.477 0.079 + 44THR HA 618 2.908 0.526 0.045 + 44THR CB 619 3.010 0.498 0.229 + 44THR HB 620 3.037 0.602 0.254 + 44THR OG1 621 3.105 0.407 0.285 + 44THR HG1 622 3.099 0.415 0.380 + 44THR CG2 623 2.873 0.466 0.292 + 44THR HG21 624 2.840 0.363 0.268 + 44THR HG22 625 2.797 0.537 0.252 + 44THR HG23 626 2.877 0.476 0.402 + 44THR C 627 3.114 0.548 0.011 + 44THR O 628 3.115 0.671 -0.002 + 45ASN N 629 3.215 0.472 -0.035 + 45ASN HN 630 3.209 0.373 -0.023 + 45ASN CA 631 3.338 0.525 -0.090 + 45ASN HA 632 3.341 0.632 -0.078 + 45ASN CB 633 3.457 0.463 -0.011 + 45ASN HB1 634 3.448 0.498 0.094 + 45ASN HB2 635 3.553 0.501 -0.051 + 45ASN CG 636 3.460 0.310 -0.012 + 45ASN OD1 637 3.392 0.241 -0.089 + 45ASN ND2 638 3.539 0.254 0.082 + 45ASN HD21 639 3.530 0.154 0.093 + 45ASN HD22 640 3.573 0.310 0.157 + 45ASN C 641 3.352 0.498 -0.240 + 45ASN O 642 3.450 0.537 -0.304 + 46SER N 643 3.254 0.432 -0.303 + 46SER HN 644 3.169 0.407 -0.257 + 46SER CA 645 3.270 0.387 -0.440 + 46SER HA 646 3.310 0.469 -0.498 + 46SER CB 647 3.364 0.264 -0.458 + 46SER HB1 648 3.466 0.292 -0.424 + 46SER HB2 649 3.372 0.235 -0.565 + 46SER OG 650 3.319 0.152 -0.382 + 46SER HG1 651 3.342 0.173 -0.289 + 46SER C 652 3.134 0.358 -0.497 + 46SER O 653 3.033 0.361 -0.428 + 47SER N 654 3.126 0.330 -0.627 + 47SER HN 655 3.205 0.325 -0.687 + 47SER CA 656 3.001 0.303 -0.696 + 47SER HA 657 2.918 0.348 -0.644 + 47SER CB 658 3.010 0.361 -0.839 + 47SER HB1 659 3.018 0.471 -0.830 + 47SER HB2 660 2.918 0.339 -0.899 + 47SER OG 661 3.126 0.312 -0.907 + 47SER HG1 662 3.102 0.225 -0.942 + 47SER C 663 2.976 0.154 -0.703 + 47SER O 664 2.898 0.106 -0.785 + 48THR N 665 3.045 0.076 -0.617 + 48THR HN 666 3.099 0.121 -0.546 + 48THR CA 667 3.034 -0.069 -0.610 + 48THR HA 668 3.033 -0.108 -0.711 + 48THR CB 669 3.148 -0.135 -0.532 + 48THR HB 670 3.142 -0.109 -0.424 + 48THR OG1 671 3.275 -0.090 -0.579 + 48THR HG1 672 3.279 0.004 -0.560 + 48THR CG2 673 3.145 -0.288 -0.549 + 48THR HG21 674 3.148 -0.315 -0.656 + 48THR HG22 675 3.054 -0.332 -0.503 + 48THR HG23 676 3.234 -0.333 -0.499 + 48THR C 677 2.906 -0.105 -0.541 + 48THR O 678 2.884 -0.066 -0.426 + 49ASN N 679 2.816 -0.178 -0.609 + 49ASN HN 680 2.834 -0.203 -0.704 + 49ASN CA 681 2.688 -0.219 -0.553 + 49ASN HA 682 2.636 -0.129 -0.524 + 49ASN CB 683 2.599 -0.297 -0.653 + 49ASN HB1 684 2.511 -0.340 -0.600 + 49ASN HB2 685 2.656 -0.382 -0.697 + 49ASN CG 686 2.547 -0.209 -0.767 + 49ASN OD1 687 2.612 -0.116 -0.815 + 49ASN ND2 688 2.422 -0.236 -0.811 + 49ASN HD21 689 2.371 -0.313 -0.771 + 49ASN HD22 690 2.384 -0.183 -0.886 + 49ASN C 691 2.703 -0.304 -0.426 + 49ASN O 692 2.790 -0.389 -0.413 + 50CYS N 693 2.612 -0.281 -0.328 + 50CYS HN 694 2.546 -0.207 -0.337 + 50CYS CA 695 2.604 -0.368 -0.212 + 50CYS HA 696 2.696 -0.423 -0.197 + 50CYS CB 697 2.571 -0.287 -0.083 + 50CYS HB1 698 2.551 -0.358 0.000 + 50CYS HB2 699 2.479 -0.228 -0.100 + 50CYS SG 700 2.707 -0.178 -0.035 + 50CYS C 701 2.494 -0.469 -0.231 + 50CYS O 702 2.489 -0.572 -0.164 + 51TYR N 703 2.405 -0.443 -0.329 + 51TYR HN 704 2.413 -0.361 -0.384 + 51TYR CA 705 2.299 -0.531 -0.367 + 51TYR HA 706 2.326 -0.634 -0.348 + 51TYR CB 707 2.169 -0.493 -0.291 + 51TYR HB1 708 2.141 -0.388 -0.313 + 51TYR HB2 709 2.188 -0.501 -0.182 + 51TYR CG 710 2.053 -0.583 -0.325 + 51TYR CD1 711 2.028 -0.699 -0.249 + 51TYR HD1 712 2.096 -0.726 -0.170 + 51TYR CE1 713 1.916 -0.778 -0.275 + 51TYR HE1 714 1.898 -0.866 -0.215 + 51TYR CZ 715 1.826 -0.742 -0.375 + 51TYR OH 716 1.707 -0.816 -0.394 + 51TYR HH 717 1.654 -0.774 -0.463 + 51TYR CD2 718 1.963 -0.550 -0.428 + 51TYR HD2 719 1.983 -0.463 -0.489 + 51TYR CE2 720 1.850 -0.628 -0.453 + 51TYR HE2 721 1.781 -0.603 -0.532 + 51TYR C 722 2.286 -0.515 -0.517 + 51TYR O 723 2.274 -0.402 -0.567 + 52ASP N 724 2.289 -0.624 -0.594 + 52ASP HN 725 2.297 -0.716 -0.554 + 52ASP CA 726 2.274 -0.619 -0.738 + 52ASP HA 727 2.208 -0.536 -0.762 + 52ASP CB 728 2.410 -0.605 -0.812 + 52ASP HB1 729 2.462 -0.703 -0.818 + 52ASP HB2 730 2.476 -0.538 -0.753 + 52ASP CG 731 2.399 -0.545 -0.951 + 52ASP OD1 732 2.283 -0.513 -0.995 + 52ASP OD2 733 2.500 -0.526 -1.018 + 52ASP C 734 2.200 -0.747 -0.775 + 52ASP O 735 2.226 -0.855 -0.722 + 53GLY N 736 2.102 -0.739 -0.867 + 53GLY HN 737 2.092 -0.654 -0.919 + 53GLY CA 738 2.007 -0.848 -0.888 + 53GLY HA1 739 2.062 -0.938 -0.911 + 53GLY HA2 740 1.941 -0.819 -0.969 + 53GLY C 741 1.921 -0.877 -0.768 + 53GLY O 742 1.852 -0.787 -0.717 + 54ASN N 743 1.920 -1.003 -0.720 + 54ASN HN 744 1.971 -1.077 -0.764 + 54ASN CA 745 1.845 -1.046 -0.603 + 54ASN HA 746 1.794 -0.961 -0.562 + 54ASN CB 747 1.736 -1.151 -0.638 + 54ASN HB1 748 1.657 -1.099 -0.696 + 54ASN HB2 749 1.690 -1.190 -0.545 + 54ASN CG 750 1.783 -1.270 -0.720 + 54ASN OD1 751 1.903 -1.287 -0.751 + 54ASN ND2 752 1.688 -1.354 -0.764 + 54ASN HD21 753 1.591 -1.338 -0.742 + 54ASN HD22 754 1.715 -1.440 -0.805 + 54ASN C 755 1.938 -1.092 -0.491 + 54ASN O 756 1.898 -1.164 -0.400 + 55THR N 757 2.065 -1.050 -0.495 + 55THR HN 758 2.096 -0.987 -0.567 + 55THR CA 759 2.167 -1.095 -0.402 + 55THR HA 760 2.119 -1.139 -0.316 + 55THR CB 761 2.264 -1.199 -0.460 + 55THR HB 762 2.356 -1.210 -0.398 + 55THR OG1 763 2.299 -1.168 -0.594 + 55THR HG1 764 2.338 -1.079 -0.594 + 55THR CG2 765 2.192 -1.335 -0.460 + 55THR HG21 766 2.104 -1.334 -0.527 + 55THR HG22 767 2.157 -1.361 -0.358 + 55THR HG23 768 2.260 -1.416 -0.495 + 55THR C 769 2.247 -0.980 -0.348 + 55THR O 770 2.267 -0.877 -0.412 + 56TRP N 771 2.298 -0.996 -0.225 + 56TRP HN 772 2.282 -1.079 -0.174 + 56TRP CA 773 2.385 -0.899 -0.162 + 56TRP HA 774 2.362 -0.800 -0.199 + 56TRP CB 775 2.372 -0.900 -0.007 + 56TRP HB1 776 2.447 -0.832 0.038 + 56TRP HB2 777 2.393 -1.002 0.031 + 56TRP CG 778 2.237 -0.857 0.043 + 56TRP CD1 779 2.128 -0.936 0.067 + 56TRP HD1 780 2.122 -1.042 0.047 + 56TRP NE1 781 2.026 -0.859 0.120 + 56TRP HE1 782 1.936 -0.888 0.142 + 56TRP CE2 783 2.070 -0.730 0.132 + 56TRP CD2 784 2.202 -0.724 0.084 + 56TRP CE3 785 2.271 -0.603 0.086 + 56TRP HE3 786 2.373 -0.595 0.052 + 56TRP CZ3 787 2.205 -0.489 0.134 + 56TRP HZ3 788 2.257 -0.394 0.137 + 56TRP CZ2 789 2.006 -0.618 0.184 + 56TRP HZ2 790 1.906 -0.625 0.222 + 56TRP CH2 791 2.076 -0.497 0.184 + 56TRP HH2 792 2.029 -0.408 0.224 + 56TRP C 793 2.530 -0.927 -0.196 + 56TRP O 794 2.570 -1.039 -0.225 + 57SER N 795 2.614 -0.822 -0.189 + 57SER HN 796 2.577 -0.731 -0.170 + 57SER CA 797 2.759 -0.836 -0.192 + 57SER HA 798 2.785 -0.901 -0.273 + 57SER CB 799 2.829 -0.699 -0.213 + 57SER HB1 800 2.798 -0.630 -0.131 + 57SER HB2 801 2.793 -0.655 -0.309 + 57SER OG 802 2.971 -0.711 -0.215 + 57SER HG1 803 2.993 -0.761 -0.295 + 57SER C 804 2.811 -0.899 -0.064 + 57SER O 805 2.783 -0.852 0.046 + 58SER N 806 2.889 -1.007 -0.073 + 58SER HN 807 2.920 -1.045 -0.160 + 58SER CA 808 2.932 -1.080 0.045 + 58SER HA 809 2.850 -1.084 0.116 + 58SER CB 810 2.969 -1.227 0.010 + 58SER HB1 811 2.877 -1.277 -0.026 + 58SER HB2 812 3.003 -1.281 0.102 + 58SER OG 813 3.069 -1.236 -0.092 + 58SER HG1 814 3.093 -1.329 -0.093 + 58SER C 815 3.048 -1.015 0.118 + 58SER O 816 3.070 -1.036 0.237 + 59THR N 817 3.124 -0.928 0.048 + 59THR HN 818 3.107 -0.912 -0.049 + 59THR CA 819 3.240 -0.861 0.105 + 59THR HA 820 3.281 -0.920 0.186 + 59THR CB 821 3.350 -0.839 0.001 + 59THR HB 822 3.431 -0.775 0.041 + 59THR OG1 823 3.295 -0.782 -0.118 + 59THR HG1 824 3.366 -0.741 -0.168 + 59THR CG2 825 3.411 -0.975 -0.037 + 59THR HG21 826 3.333 -1.042 -0.082 + 59THR HG22 827 3.451 -1.025 0.054 + 59THR HG23 828 3.493 -0.962 -0.110 + 59THR C 829 3.205 -0.725 0.163 + 59THR O 830 3.271 -0.676 0.254 + 60LEU N 831 3.098 -0.660 0.112 + 60LEU HN 832 3.053 -0.695 0.030 + 60LEU CA 833 3.050 -0.535 0.168 + 60LEU HA 834 3.130 -0.484 0.219 + 60LEU CB 835 2.992 -0.442 0.058 + 60LEU HB1 836 2.942 -0.353 0.104 + 60LEU HB2 837 2.915 -0.498 0.001 + 60LEU CG 838 3.098 -0.388 -0.041 + 60LEU HG 839 3.159 -0.475 -0.077 + 60LEU CD1 840 3.030 -0.326 -0.164 + 60LEU HD11 841 2.968 -0.238 -0.134 + 60LEU HD12 842 2.963 -0.400 -0.213 + 60LEU HD13 843 3.105 -0.292 -0.238 + 60LEU CD2 844 3.191 -0.286 0.026 + 60LEU HD21 845 3.244 -0.331 0.113 + 60LEU HD22 846 3.132 -0.199 0.063 + 60LEU HD23 847 3.267 -0.250 -0.045 + 60LEU C 848 2.942 -0.558 0.271 + 60LEU O 849 2.922 -0.476 0.360 + 61CYS N 850 2.874 -0.675 0.264 + 61CYS HN 851 2.893 -0.741 0.192 + 61CYS CA 852 2.765 -0.710 0.353 + 61CYS HA 853 2.767 -0.647 0.440 + 61CYS CB 854 2.628 -0.690 0.283 + 61CYS HB1 855 2.546 -0.724 0.350 + 61CYS HB2 856 2.621 -0.753 0.191 + 61CYS SG 857 2.603 -0.516 0.238 + 61CYS C 858 2.780 -0.853 0.402 + 61CYS O 859 2.703 -0.942 0.361 + 62PRO N 860 2.875 -0.885 0.489 + 62PRO CD 861 2.985 -0.797 0.531 + 62PRO HD1 862 2.947 -0.698 0.565 + 62PRO HD2 863 3.055 -0.784 0.445 + 62PRO CA 864 2.884 -1.016 0.552 + 62PRO HA 865 2.868 -1.093 0.477 + 62PRO CB 866 3.026 -1.018 0.610 + 62PRO HB1 867 3.096 -1.052 0.529 + 62PRO HB2 868 3.038 -1.086 0.697 + 62PRO CG 869 3.056 -0.872 0.644 + 62PRO HG1 870 3.011 -0.846 0.742 + 62PRO HG2 871 3.165 -0.851 0.647 + 62PRO C 872 2.777 -1.035 0.660 + 62PRO O 873 2.736 -1.147 0.686 + 63ASP N 874 2.740 -0.926 0.730 + 63ASP HN 875 2.781 -0.838 0.711 + 63ASP CA 876 2.642 -0.925 0.836 + 63ASP HA 877 2.570 -1.005 0.818 + 63ASP CB 878 2.708 -0.944 0.976 + 63ASP HB1 879 2.753 -1.045 0.980 + 63ASP HB2 880 2.630 -0.941 1.055 + 63ASP CG 881 2.816 -0.842 1.007 + 63ASP OD1 882 2.935 -0.876 1.005 + 63ASP OD2 883 2.782 -0.720 1.031 + 63ASP C 884 2.563 -0.796 0.828 + 63ASP O 885 2.601 -0.701 0.758 + 64ASN N 886 2.449 -0.792 0.898 + 64ASN HN 887 2.422 -0.871 0.955 + 64ASN CA 888 2.355 -0.681 0.896 + 64ASN HA 889 2.323 -0.668 0.793 + 64ASN CB 890 2.232 -0.714 0.984 + 64ASN HB1 891 2.162 -0.628 0.988 + 64ASN HB2 892 2.265 -0.738 1.087 + 64ASN CG 893 2.153 -0.831 0.927 + 64ASN OD1 894 2.163 -0.867 0.810 + 64ASN ND2 895 2.068 -0.892 1.013 + 64ASN HD21 896 2.017 -0.970 0.979 + 64ASN HD22 897 2.076 -0.874 1.111 + 64ASN C 898 2.412 -0.548 0.941 + 64ASN O 899 2.389 -0.444 0.876 + 65GLU N 900 2.489 -0.544 1.051 + 65GLU HN 901 2.510 -0.629 1.102 + 65GLU CA 902 2.555 -0.424 1.097 + 65GLU HA 903 2.480 -0.346 1.103 + 65GLU CB 904 2.618 -0.439 1.238 + 65GLU HB1 905 2.690 -0.356 1.251 + 65GLU HB2 906 2.678 -0.533 1.245 + 65GLU CG 907 2.519 -0.429 1.356 + 65GLU HG1 908 2.479 -0.530 1.380 + 65GLU HG2 909 2.433 -0.364 1.329 + 65GLU CD 910 2.586 -0.370 1.480 + 65GLU OE1 911 2.639 -0.252 1.461 + 65GLU OE2 912 2.595 -0.430 1.585 + 65GLU C 913 2.662 -0.373 1.004 + 65GLU O 914 2.668 -0.252 0.974 + 66THR N 915 2.751 -0.460 0.956 + 66THR HN 916 2.746 -0.558 0.984 + 66THR CA 917 2.862 -0.424 0.868 + 66THR HA 918 2.915 -0.343 0.916 + 66THR CB 919 2.961 -0.538 0.847 + 66THR HB 920 2.908 -0.627 0.807 + 66THR OG1 921 3.019 -0.571 0.972 + 66THR HG1 922 2.958 -0.640 1.008 + 66THR CG2 923 3.075 -0.498 0.752 + 66THR HG21 924 3.124 -0.404 0.786 + 66THR HG22 925 3.038 -0.483 0.649 + 66THR HG23 926 3.151 -0.579 0.749 + 66THR C 927 2.814 -0.367 0.737 + 66THR O 928 2.866 -0.265 0.689 + 67CYS N 929 2.710 -0.427 0.679 + 67CYS HN 930 2.670 -0.509 0.722 + 67CYS CA 931 2.645 -0.380 0.558 + 67CYS HA 932 2.718 -0.382 0.478 + 67CYS CB 933 2.529 -0.477 0.527 + 67CYS HB1 934 2.452 -0.468 0.606 + 67CYS HB2 935 2.568 -0.581 0.535 + 67CYS SG 936 2.455 -0.458 0.362 + 67CYS C 937 2.590 -0.239 0.568 + 67CYS O 938 2.612 -0.155 0.481 + 68ALA N 939 2.520 -0.206 0.678 + 68ALA HN 940 2.504 -0.274 0.749 + 68ALA CA 941 2.465 -0.073 0.700 + 68ALA HA 942 2.401 -0.049 0.617 + 68ALA CB 943 2.383 -0.074 0.830 + 68ALA HB1 944 2.445 -0.100 0.918 + 68ALA HB2 945 2.303 -0.150 0.820 + 68ALA HB3 946 2.335 0.024 0.847 + 68ALA C 947 2.570 0.037 0.710 + 68ALA O 948 2.552 0.148 0.657 + 69LYS N 949 2.681 0.008 0.779 + 69LYS HN 950 2.689 -0.083 0.820 + 69LYS CA 951 2.797 0.095 0.791 + 69LYS HA 952 2.761 0.191 0.826 + 69LYS CB 953 2.899 0.039 0.894 + 69LYS HB1 954 2.988 0.106 0.897 + 69LYS HB2 955 2.933 -0.061 0.857 + 69LYS CG 956 2.841 0.024 1.036 + 69LYS HG1 957 2.749 -0.038 1.029 + 69LYS HG2 958 2.809 0.124 1.074 + 69LYS CD 959 2.938 -0.042 1.136 + 69LYS HD1 960 2.998 0.034 1.189 + 69LYS HD2 961 3.010 -0.102 1.075 + 69LYS CE 962 2.874 -0.139 1.237 + 69LYS HE1 963 2.951 -0.183 1.304 + 69LYS HE2 964 2.827 -0.222 1.180 + 69LYS NZ 965 2.769 -0.076 1.322 + 69LYS HZ1 966 2.693 -0.037 1.263 + 69LYS HZ2 967 2.805 -0.003 1.386 + 69LYS HZ3 968 2.723 -0.150 1.384 + 69LYS C 969 2.868 0.122 0.659 + 69LYS O 970 2.914 0.234 0.632 + 70ASN N 971 2.880 0.019 0.573 + 70ASN HN 972 2.842 -0.071 0.598 + 70ASN CA 973 2.956 0.024 0.450 + 70ASN HA 974 3.041 0.089 0.462 + 70ASN CB 975 3.002 -0.119 0.410 + 70ASN HB1 976 3.044 -0.119 0.307 + 70ASN HB2 977 2.916 -0.189 0.414 + 70ASN CG 978 3.112 -0.173 0.502 + 70ASN OD1 979 3.163 -0.109 0.595 + 70ASN ND2 980 3.153 -0.298 0.472 + 70ASN HD21 981 3.099 -0.353 0.410 + 70ASN HD22 982 3.232 -0.334 0.523 + 70ASN C 983 2.876 0.077 0.332 + 70ASN O 984 2.934 0.109 0.228 + 71CYS N 985 2.742 0.086 0.343 + 71CYS HN 986 2.697 0.062 0.428 + 71CYS CA 987 2.656 0.108 0.228 + 71CYS HA 988 2.717 0.134 0.142 + 71CYS CB 989 2.575 -0.020 0.190 + 71CYS HB1 990 2.516 -0.002 0.099 + 71CYS HB2 991 2.505 -0.043 0.273 + 71CYS SG 992 2.684 -0.164 0.165 + 71CYS C 993 2.561 0.223 0.248 + 71CYS O 994 2.530 0.270 0.359 + 72CYS N 995 2.511 0.277 0.137 + 72CYS HN 996 2.537 0.242 0.046 + 72CYS CA 997 2.427 0.393 0.137 + 72CYS HA 998 2.374 0.400 0.230 + 72CYS CB 999 2.509 0.522 0.114 + 72CYS HB1 1000 2.574 0.537 0.203 + 72CYS HB2 1001 2.441 0.610 0.108 + 72CYS SG 1002 2.617 0.518 -0.032 + 72CYS C 1003 2.321 0.380 0.030 + 72CYS O 1004 2.333 0.301 -0.063 + 73LEU N 1005 2.213 0.458 0.047 + 73LEU HN 1006 2.206 0.518 0.126 + 73LEU CA 1007 2.108 0.473 -0.051 + 73LEU HA 1008 2.110 0.390 -0.121 + 73LEU CB 1009 1.969 0.484 0.016 + 73LEU HB1 1010 1.891 0.498 -0.062 + 73LEU HB2 1011 1.968 0.574 0.082 + 73LEU CG 1012 1.930 0.362 0.102 + 73LEU HG 1013 2.013 0.340 0.174 + 73LEU CD1 1014 1.805 0.394 0.185 + 73LEU HD11 1015 1.719 0.417 0.119 + 73LEU HD12 1016 1.822 0.482 0.251 + 73LEU HD13 1017 1.777 0.307 0.248 + 73LEU CD2 1018 1.907 0.236 0.016 + 73LEU HD21 1019 1.999 0.209 -0.039 + 73LEU HD22 1020 1.826 0.253 -0.057 + 73LEU HD23 1021 1.878 0.150 0.080 + 73LEU C 1022 2.137 0.600 -0.128 + 73LEU O 1023 2.188 0.697 -0.072 + 74ASP N 1024 2.103 0.602 -0.258 + 74ASP HN 1025 2.062 0.523 -0.302 + 74ASP CA 1026 2.131 0.716 -0.343 + 74ASP HA 1027 2.161 0.800 -0.282 + 74ASP CB 1028 2.248 0.684 -0.442 + 74ASP HB1 1029 2.212 0.631 -0.532 + 74ASP HB2 1030 2.320 0.617 -0.390 + 74ASP CG 1031 2.325 0.810 -0.483 + 74ASP OD1 1032 2.259 0.899 -0.546 + 74ASP OD2 1033 2.445 0.826 -0.456 + 74ASP C 1034 2.000 0.757 -0.410 + 74ASP O 1035 1.897 0.689 -0.401 + 75GLY N 1036 2.001 0.877 -0.471 + 75GLY HN 1037 2.092 0.919 -0.481 + 75GLY CA 1038 1.890 0.943 -0.537 + 75GLY HA1 1039 1.930 1.031 -0.585 + 75GLY HA2 1040 1.818 0.967 -0.461 + 75GLY C 1041 1.818 0.865 -0.644 + 75GLY O 1042 1.864 0.765 -0.696 + 76ALA N 1043 1.698 0.915 -0.679 + 76ALA HN 1044 1.663 0.997 -0.634 + 76ALA CA 1045 1.609 0.850 -0.771 + 76ALA HA 1046 1.658 0.765 -0.817 + 76ALA CB 1047 1.485 0.800 -0.693 + 76ALA HB1 1048 1.439 0.885 -0.637 + 76ALA HB2 1049 1.515 0.723 -0.619 + 76ALA HB3 1050 1.409 0.756 -0.760 + 76ALA C 1051 1.567 0.944 -0.883 + 76ALA O 1052 1.528 1.059 -0.863 + 77ALA N 1053 1.573 0.897 -1.009 + 77ALA HN 1054 1.607 0.805 -1.027 + 77ALA CA 1055 1.521 0.971 -1.121 + 77ALA HA 1056 1.521 1.077 -1.099 + 77ALA CB 1057 1.603 0.949 -1.250 + 77ALA HB1 1058 1.612 0.841 -1.273 + 77ALA HB2 1059 1.704 0.992 -1.236 + 77ALA HB3 1060 1.555 1.001 -1.335 + 77ALA C 1061 1.377 0.928 -1.143 + 77ALA O 1062 1.347 0.835 -1.218 + 78TYR N 1063 1.283 0.997 -1.076 + 78TYR HN 1064 1.312 1.069 -1.014 + 78TYR CA 1065 1.145 0.956 -1.066 + 78TYR HA 1066 1.141 0.860 -1.015 + 78TYR CB 1067 1.064 1.060 -0.985 + 78TYR HB1 1068 0.954 1.046 -0.996 + 78TYR HB2 1069 1.088 1.163 -1.019 + 78TYR CG 1070 1.097 1.048 -0.839 + 78TYR CD1 1071 1.212 1.109 -0.785 + 78TYR HD1 1072 1.280 1.165 -0.847 + 78TYR CE1 1073 1.243 1.094 -0.649 + 78TYR HE1 1074 1.333 1.138 -0.609 + 78TYR CZ 1075 1.157 1.024 -0.565 + 78TYR OH 1076 1.188 1.007 -0.428 + 78TYR HH 1077 1.270 1.057 -0.407 + 78TYR CD2 1078 1.010 0.979 -0.753 + 78TYR HD2 1079 0.921 0.933 -0.792 + 78TYR CE2 1080 1.039 0.968 -0.617 + 78TYR HE2 1081 0.971 0.915 -0.551 + 78TYR C 1082 1.075 0.935 -1.199 + 78TYR O 1083 1.010 0.832 -1.221 + 79ALA N 1084 1.089 1.029 -1.293 + 79ALA HN 1085 1.146 1.109 -1.275 + 79ALA CA 1086 1.014 1.023 -1.416 + 79ALA HA 1087 0.913 0.992 -1.393 + 79ALA CB 1088 1.010 1.164 -1.478 + 79ALA HB1 1089 1.110 1.195 -1.516 + 79ALA HB2 1090 0.978 1.238 -1.403 + 79ALA HB3 1091 0.937 1.166 -1.561 + 79ALA C 1092 1.069 0.924 -1.516 + 79ALA O 1093 0.995 0.849 -1.580 + 80SER N 1094 1.202 0.920 -1.534 + 80SER HN 1095 1.263 0.975 -1.477 + 80SER CA 1096 1.263 0.843 -1.641 + 80SER HA 1097 1.194 0.837 -1.725 + 80SER CB 1098 1.394 0.908 -1.692 + 80SER HB1 1099 1.367 1.003 -1.741 + 80SER HB2 1100 1.444 0.844 -1.768 + 80SER OG 1101 1.483 0.937 -1.584 + 80SER HG1 1102 1.506 0.853 -1.542 + 80SER C 1103 1.295 0.700 -1.604 + 80SER O 1104 1.314 0.617 -1.692 + 81THR N 1105 1.302 0.669 -1.474 + 81THR HN 1106 1.293 0.738 -1.403 + 81THR CA 1107 1.339 0.535 -1.430 + 81THR HA 1108 1.367 0.472 -1.513 + 81THR CB 1109 1.453 0.536 -1.330 + 81THR HB 1110 1.428 0.600 -1.242 + 81THR OG1 1111 1.569 0.591 -1.393 + 81THR HG1 1112 1.598 0.521 -1.451 + 81THR CG2 1113 1.490 0.396 -1.280 + 81THR HG21 1114 1.517 0.329 -1.365 + 81THR HG22 1115 1.407 0.349 -1.224 + 81THR HG23 1116 1.576 0.401 -1.210 + 81THR C 1117 1.221 0.468 -1.365 + 81THR O 1118 1.196 0.351 -1.388 + 82TYR N 1119 1.146 0.543 -1.282 + 82TYR HN 1120 1.166 0.638 -1.263 + 82TYR CA 1121 1.043 0.482 -1.199 + 82TYR HA 1122 1.054 0.375 -1.199 + 82TYR CB 1123 1.057 0.532 -1.052 + 82TYR HB1 1124 0.980 0.484 -0.988 + 82TYR HB2 1125 1.045 0.642 -1.045 + 82TYR CG 1126 1.193 0.492 -1.000 + 82TYR CD1 1127 1.219 0.358 -0.970 + 82TYR HD1 1128 1.139 0.286 -0.981 + 82TYR CE1 1129 1.345 0.316 -0.926 + 82TYR HE1 1130 1.364 0.212 -0.905 + 82TYR CZ 1131 1.448 0.410 -0.911 + 82TYR OH 1132 1.575 0.369 -0.867 + 82TYR HH 1133 1.566 0.276 -0.840 + 82TYR CD2 1134 1.297 0.586 -0.983 + 82TYR HD2 1135 1.278 0.690 -1.005 + 82TYR CE2 1136 1.424 0.545 -0.940 + 82TYR HE2 1137 1.503 0.616 -0.928 + 82TYR C 1138 0.904 0.510 -1.250 + 82TYR O 1139 0.806 0.454 -1.198 + 83GLY N 1140 0.888 0.594 -1.354 + 83GLY HN 1141 0.968 0.638 -1.393 + 83GLY CA 1142 0.758 0.624 -1.415 + 83GLY HA1 1143 0.709 0.530 -1.439 + 83GLY HA2 1144 0.776 0.685 -1.502 + 83GLY C 1145 0.666 0.701 -1.325 + 83GLY O 1146 0.543 0.691 -1.334 + 84VAL N 1147 0.723 0.783 -1.236 + 84VAL HN 1148 0.823 0.788 -1.232 + 84VAL CA 1149 0.650 0.859 -1.138 + 84VAL HA 1150 0.547 0.827 -1.134 + 84VAL CB 1151 0.710 0.845 -0.998 + 84VAL HB 1152 0.819 0.869 -1.002 + 84VAL CG1 1153 0.641 0.938 -0.896 + 84VAL HG11 1154 0.531 0.920 -0.897 + 84VAL HG12 1155 0.660 1.045 -0.919 + 84VAL HG13 1156 0.678 0.918 -0.794 + 84VAL CG2 1157 0.695 0.698 -0.953 + 84VAL HG21 1158 0.748 0.629 -1.022 + 84VAL HG22 1159 0.588 0.668 -0.951 + 84VAL HG23 1160 0.737 0.683 -0.852 + 84VAL C 1161 0.652 1.004 -1.181 + 84VAL O 1162 0.756 1.063 -1.211 + 85THR N 1163 0.533 1.066 -1.187 + 85THR HN 1164 0.449 1.018 -1.160 + 85THR CA 1165 0.521 1.204 -1.230 + 85THR HA 1166 0.611 1.257 -1.206 + 85THR CB 1167 0.489 1.224 -1.379 + 85THR HB 1168 0.458 1.329 -1.398 + 85THR OG1 1169 0.386 1.139 -1.425 + 85THR HG1 1170 0.409 1.051 -1.392 + 85THR CG2 1171 0.614 1.197 -1.465 + 85THR HG21 1172 0.646 1.091 -1.456 + 85THR HG22 1173 0.698 1.262 -1.434 + 85THR HG23 1174 0.591 1.216 -1.572 + 85THR C 1175 0.411 1.269 -1.150 + 85THR O 1176 0.318 1.204 -1.103 + 86THR N 1177 0.421 1.401 -1.131 + 86THR HN 1178 0.496 1.454 -1.168 + 86THR CA 1179 0.321 1.478 -1.059 + 86THR HA 1180 0.230 1.420 -1.052 + 86THR CB 1181 0.359 1.525 -0.919 + 86THR HB 1182 0.279 1.588 -0.874 + 86THR OG1 1183 0.481 1.600 -0.915 + 86THR HG1 1184 0.485 1.629 -0.822 + 86THR CG2 1185 0.375 1.402 -0.827 + 86THR HG21 1186 0.453 1.332 -0.865 + 86THR HG22 1187 0.279 1.347 -0.822 + 86THR HG23 1188 0.402 1.433 -0.724 + 86THR C 1189 0.288 1.600 -1.142 + 86THR O 1190 0.360 1.638 -1.234 + 87SER N 1191 0.174 1.663 -1.109 + 87SER HN 1192 0.117 1.625 -1.036 + 87SER CA 1193 0.130 1.785 -1.175 + 87SER HA 1194 0.211 1.855 -1.177 + 87SER CB 1195 0.074 1.762 -1.318 + 87SER HB1 1196 -0.013 1.693 -1.316 + 87SER HB2 1197 0.153 1.714 -1.379 + 87SER OG 1198 0.037 1.885 -1.383 + 87SER HG1 1199 -0.032 1.927 -1.330 + 87SER C 1200 0.020 1.842 -1.089 + 87SER O 1201 -0.095 1.795 -1.092 + 88GLY N 1202 0.049 1.945 -1.009 + 88GLY HN 1203 0.142 1.985 -1.012 + 88GLY CA 1204 -0.045 2.001 -0.913 + 88GLY HA1 1205 -0.135 2.028 -0.967 + 88GLY HA2 1206 0.002 2.087 -0.867 + 88GLY C 1207 -0.083 1.907 -0.801 + 88GLY O 1208 -0.000 1.865 -0.721 + 89ASN N 1209 -0.212 1.870 -0.795 + 89ASN HN 1210 -0.278 1.897 -0.865 + 89ASN CA 1211 -0.267 1.782 -0.693 + 89ASN HA 1212 -0.199 1.778 -0.609 + 89ASN CB 1213 -0.404 1.836 -0.641 + 89ASN HB1 1214 -0.386 1.935 -0.595 + 89ASN HB2 1215 -0.442 1.767 -0.563 + 89ASN CG 1216 -0.510 1.853 -0.751 + 89ASN OD1 1217 -0.484 1.845 -0.871 + 89ASN ND2 1218 -0.635 1.882 -0.709 + 89ASN HD21 1219 -0.707 1.879 -0.778 + 89ASN HD22 1220 -0.655 1.893 -0.612 + 89ASN C 1221 -0.282 1.640 -0.746 + 89ASN O 1222 -0.355 1.560 -0.691 + 90SER N 1223 -0.214 1.609 -0.859 + 90SER HN 1224 -0.156 1.678 -0.902 + 90SER CA 1225 -0.223 1.481 -0.928 + 90SER HA 1226 -0.293 1.417 -0.876 + 90SER CB 1227 -0.269 1.498 -1.075 + 90SER HB1 1228 -0.194 1.557 -1.132 + 90SER HB2 1229 -0.364 1.557 -1.074 + 90SER OG 1230 -0.296 1.375 -1.142 + 90SER HG1 1231 -0.213 1.325 -1.148 + 90SER C 1232 -0.089 1.410 -0.927 + 90SER O 1233 0.016 1.473 -0.942 + 91LEU N 1234 -0.094 1.277 -0.912 + 91LEU HN 1235 -0.183 1.231 -0.900 + 91LEU CA 1236 0.019 1.186 -0.910 + 91LEU HA 1237 0.108 1.235 -0.946 + 91LEU CB 1238 0.040 1.129 -0.767 + 91LEU HB1 1239 -0.060 1.095 -0.731 + 91LEU HB2 1240 0.072 1.212 -0.701 + 91LEU CG 1241 0.138 1.011 -0.752 + 91LEU HG 1242 0.109 0.929 -0.823 + 91LEU CD1 1243 0.283 1.050 -0.784 + 91LEU HD11 1244 0.320 1.126 -0.711 + 91LEU HD12 1245 0.292 1.091 -0.886 + 91LEU HD13 1246 0.348 0.961 -0.778 + 91LEU CD2 1247 0.129 0.951 -0.611 + 91LEU HD21 1248 0.026 0.915 -0.591 + 91LEU HD22 1249 0.156 1.027 -0.535 + 91LEU HD23 1250 0.198 0.864 -0.601 + 91LEU C 1251 -0.013 1.072 -1.005 + 91LEU O 1252 -0.120 1.011 -0.996 + 92SER N 1253 0.077 1.041 -1.099 + 92SER HN 1254 0.164 1.090 -1.106 + 92SER CA 1255 0.060 0.928 -1.191 + 92SER HA 1256 -0.029 0.872 -1.165 + 92SER CB 1257 0.052 0.969 -1.340 + 92SER HB1 1258 0.046 0.877 -1.404 + 92SER HB2 1259 0.144 1.025 -1.368 + 92SER OG 1260 -0.063 1.050 -1.367 + 92SER HG1 1261 -0.141 0.997 -1.344 + 92SER C 1262 0.178 0.836 -1.172 + 92SER O 1263 0.291 0.880 -1.157 + 93ILE N 1264 0.150 0.703 -1.170 + 93ILE HN 1265 0.057 0.669 -1.182 + 93ILE CA 1266 0.252 0.600 -1.158 + 93ILE HA 1267 0.351 0.643 -1.167 + 93ILE CB 1268 0.243 0.520 -1.027 + 93ILE HB 1269 0.150 0.457 -1.028 + 93ILE CG2 1270 0.365 0.424 -1.018 + 93ILE HG21 1271 0.460 0.482 -1.020 + 93ILE HG22 1272 0.367 0.352 -1.102 + 93ILE HG23 1273 0.362 0.365 -0.924 + 93ILE CG1 1274 0.232 0.612 -0.902 + 93ILE HG11 1275 0.147 0.683 -0.916 + 93ILE HG12 1276 0.325 0.671 -0.892 + 93ILE CD 1277 0.204 0.535 -0.772 + 93ILE HD1 1278 0.290 0.470 -0.744 + 93ILE HD2 1279 0.115 0.470 -0.783 + 93ILE HD3 1280 0.185 0.605 -0.688 + 93ILE C 1281 0.232 0.506 -1.276 + 93ILE O 1282 0.123 0.448 -1.290 + 94ASP N 1283 0.333 0.488 -1.362 + 94ASP HN 1284 0.419 0.539 -1.351 + 94ASP CA 1285 0.328 0.398 -1.475 + 94ASP HA 1286 0.224 0.383 -1.504 + 94ASP CB 1287 0.406 0.449 -1.600 + 94ASP HB1 1288 0.412 0.368 -1.676 + 94ASP HB2 1289 0.508 0.478 -1.570 + 94ASP CG 1290 0.340 0.566 -1.673 + 94ASP OD1 1291 0.232 0.616 -1.630 + 94ASP OD2 1292 0.395 0.602 -1.780 + 94ASP C 1293 0.382 0.260 -1.435 + 94ASP O 1294 0.479 0.248 -1.362 + 95PHE N 1295 0.313 0.152 -1.479 + 95PHE HN 1296 0.234 0.164 -1.540 + 95PHE CA 1297 0.341 0.016 -1.437 + 95PHE HA 1298 0.337 0.015 -1.328 + 95PHE CB 1299 0.229 -0.075 -1.493 + 95PHE HB1 1300 0.231 -0.069 -1.604 + 95PHE HB2 1301 0.130 -0.039 -1.458 + 95PHE CG 1302 0.240 -0.220 -1.452 + 95PHE CD1 1303 0.259 -0.256 -1.318 + 95PHE HD1 1304 0.270 -0.181 -1.242 + 95PHE CE1 1305 0.265 -0.391 -1.281 + 95PHE HE1 1306 0.282 -0.420 -1.178 + 95PHE CZ 1307 0.249 -0.491 -1.378 + 95PHE HZ 1308 0.254 -0.595 -1.350 + 95PHE CD2 1309 0.224 -0.321 -1.548 + 95PHE HD2 1310 0.209 -0.294 -1.652 + 95PHE CE2 1311 0.228 -0.456 -1.512 + 95PHE HE2 1312 0.214 -0.533 -1.586 + 95PHE C 1313 0.479 -0.038 -1.472 + 95PHE O 1314 0.549 -0.093 -1.388 + 96VAL N 1315 0.523 -0.020 -1.599 + 96VAL HN 1316 0.467 0.029 -1.665 + 96VAL CA 1317 0.652 -0.068 -1.643 + 96VAL HA 1318 0.710 -0.100 -1.558 + 96VAL CB 1319 0.645 -0.187 -1.739 + 96VAL HB 1320 0.584 -0.158 -1.828 + 96VAL CG1 1321 0.786 -0.230 -1.786 + 96VAL HG11 1322 0.850 -0.251 -1.698 + 96VAL HG12 1323 0.834 -0.153 -1.849 + 96VAL HG13 1324 0.778 -0.324 -1.845 + 96VAL CG2 1325 0.577 -0.306 -1.668 + 96VAL HG21 1326 0.473 -0.280 -1.639 + 96VAL HG22 1327 0.632 -0.333 -1.576 + 96VAL HG23 1328 0.573 -0.395 -1.734 + 96VAL C 1329 0.726 0.049 -1.702 + 96VAL O 1330 0.673 0.132 -1.779 + 97THR N 1331 0.852 0.066 -1.664 + 97THR HN 1332 0.892 0.000 -1.599 + 97THR CA 1333 0.937 0.169 -1.718 + 97THR HA 1334 0.892 0.211 -1.807 + 97THR CB 1335 0.966 0.282 -1.620 + 97THR HB 1336 1.021 0.242 -1.532 + 97THR OG1 1337 0.846 0.342 -1.573 + 97THR HG1 1338 0.773 0.307 -1.624 + 97THR CG2 1339 1.045 0.398 -1.683 + 97THR HG21 1340 0.989 0.441 -1.769 + 97THR HG22 1341 1.146 0.366 -1.716 + 97THR HG23 1342 1.058 0.478 -1.607 + 97THR C 1343 1.064 0.100 -1.760 + 97THR O 1344 1.114 0.012 -1.694 + 98GLN N 1345 1.116 0.138 -1.880 + 98GLN HN 1346 1.076 0.211 -1.933 + 98GLN CA 1347 1.241 0.087 -1.930 + 98GLN HA 1348 1.284 0.015 -1.861 + 98GLN CB 1349 1.226 0.022 -2.070 + 98GLN HB1 1350 1.327 0.005 -2.115 + 98GLN HB2 1351 1.173 0.094 -2.136 + 98GLN CG 1352 1.148 -0.112 -2.071 + 98GLN HG1 1353 1.118 -0.134 -2.175 + 98GLN HG2 1354 1.057 -0.104 -2.008 + 98GLN CD 1355 1.231 -0.231 -2.020 + 98GLN OE1 1356 1.347 -0.219 -1.978 + 98GLN NE2 1357 1.173 -0.352 -2.026 + 98GLN HE21 1358 1.224 -0.428 -1.986 + 98GLN HE22 1359 1.077 -0.362 -2.052 + 98GLN C 1360 1.336 0.203 -1.939 + 98GLN O 1361 1.301 0.313 -1.983 + 99SER N 1362 1.459 0.183 -1.892 + 99SER HN 1363 1.484 0.092 -1.857 + 99SER CA 1364 1.563 0.284 -1.892 + 99SER HA 1365 1.553 0.345 -1.980 + 99SER CB 1366 1.558 0.375 -1.766 + 99SER HB1 1367 1.463 0.433 -1.769 + 99SER HB2 1368 1.642 0.448 -1.768 + 99SER OG 1369 1.563 0.301 -1.644 + 99SER HG1 1370 1.486 0.242 -1.642 + 99SER C 1371 1.693 0.209 -1.908 + 99SER O 1372 1.708 0.134 -2.003 + 100ALA N 1373 1.789 0.221 -1.814 + 100ALA HN 1374 1.774 0.279 -1.735 + 100ALA CA 1375 1.905 0.134 -1.812 + 100ALA HA 1376 1.945 0.122 -1.912 + 100ALA CB 1377 2.013 0.192 -1.718 + 100ALA HB1 1378 1.975 0.199 -1.614 + 100ALA HB2 1379 2.044 0.293 -1.752 + 100ALA HB3 1380 2.103 0.126 -1.717 + 100ALA C 1381 1.868 -0.006 -1.762 + 100ALA O 1382 1.939 -0.103 -1.783 + 101GLN N 1383 1.752 -0.014 -1.695 + 101GLN HN 1384 1.698 0.068 -1.677 + 101GLN CA 1385 1.693 -0.137 -1.652 + 101GLN HA 1386 1.714 -0.212 -1.727 + 101GLN CB 1387 1.750 -0.188 -1.516 + 101GLN HB1 1388 1.847 -0.236 -1.540 + 101GLN HB2 1389 1.683 -0.266 -1.474 + 101GLN CG 1390 1.779 -0.081 -1.406 + 101GLN HG1 1391 1.868 -0.022 -1.437 + 101GLN HG2 1392 1.803 -0.130 -1.310 + 101GLN CD 1393 1.668 0.021 -1.381 + 101GLN OE1 1394 1.690 0.141 -1.390 + 101GLN NE2 1395 1.546 -0.027 -1.344 + 101GLN HE21 1396 1.473 0.038 -1.331 + 101GLN HE22 1397 1.529 -0.125 -1.338 + 101GLN C 1398 1.542 -0.126 -1.652 + 101GLN O 1399 1.486 -0.014 -1.656 + 102LYS N 1400 1.473 -0.240 -1.654 + 102LYS HN 1401 1.522 -0.327 -1.666 + 102LYS CA 1402 1.332 -0.252 -1.627 + 102LYS HA 1403 1.282 -0.178 -1.687 + 102LYS CB 1404 1.279 -0.391 -1.668 + 102LYS HB1 1405 1.335 -0.469 -1.611 + 102LYS HB2 1406 1.303 -0.405 -1.776 + 102LYS CG 1407 1.128 -0.414 -1.647 + 102LYS HG1 1408 1.070 -0.335 -1.698 + 102LYS HG2 1409 1.105 -0.410 -1.538 + 102LYS CD 1410 1.085 -0.552 -1.699 + 102LYS HD1 1411 1.158 -0.627 -1.661 + 102LYS HD2 1412 1.091 -0.551 -1.810 + 102LYS CE 1413 0.944 -0.593 -1.656 + 102LYS HE1 1414 0.865 -0.532 -1.705 + 102LYS HE2 1415 0.933 -0.583 -1.546 + 102LYS NZ 1416 0.922 -0.735 -1.690 + 102LYS HZ1 1417 0.998 -0.791 -1.646 + 102LYS HZ2 1418 0.914 -0.753 -1.791 + 102LYS HZ3 1419 0.835 -0.770 -1.639 + 102LYS C 1420 1.300 -0.221 -1.481 + 102LYS O 1421 1.368 -0.264 -1.390 + 103ASN N 1422 1.192 -0.143 -1.462 + 103ASN HN 1423 1.143 -0.106 -1.541 + 103ASN CA 1424 1.136 -0.112 -1.334 + 103ASN HA 1425 1.184 -0.168 -1.255 + 103ASN CB 1426 1.146 0.041 -1.308 + 103ASN HB1 1427 1.109 0.096 -1.396 + 103ASN HB2 1428 1.253 0.068 -1.292 + 103ASN CG 1429 1.069 0.083 -1.183 + 103ASN OD1 1430 1.118 0.057 -1.072 + 103ASN ND2 1431 0.952 0.147 -1.199 + 103ASN HD21 1432 0.895 0.164 -1.118 + 103ASN HD22 1433 0.916 0.168 -1.290 + 103ASN C 1434 0.992 -0.157 -1.340 + 103ASN O 1435 0.929 -0.147 -1.446 + 104VAL N 1436 0.938 -0.206 -1.227 + 104VAL HN 1437 0.990 -0.216 -1.143 + 104VAL CA 1438 0.798 -0.239 -1.214 + 104VAL HA 1439 0.744 -0.208 -1.302 + 104VAL CB 1440 0.775 -0.388 -1.194 + 104VAL HB 1441 0.825 -0.424 -1.101 + 104VAL CG1 1442 0.624 -0.418 -1.184 + 104VAL HG11 1443 0.569 -0.379 -1.273 + 104VAL HG12 1444 0.579 -0.374 -1.093 + 104VAL HG13 1445 0.607 -0.528 -1.180 + 104VAL CG2 1446 0.835 -0.462 -1.314 + 104VAL HG21 1447 0.945 -0.449 -1.321 + 104VAL HG22 1448 0.788 -0.428 -1.409 + 104VAL HG23 1449 0.816 -0.571 -1.302 + 104VAL C 1450 0.744 -0.159 -1.097 + 104VAL O 1451 0.794 -0.167 -0.985 + 105GLY N 1452 0.642 -0.075 -1.124 + 105GLY HN 1453 0.608 -0.072 -1.218 + 105GLY CA 1454 0.573 0.009 -1.026 + 105GLY HA1 1455 0.520 -0.058 -0.961 + 105GLY HA2 1456 0.508 0.075 -1.082 + 105GLY C 1457 0.659 0.098 -0.938 + 105GLY O 1458 0.773 0.130 -0.964 + 106ALA N 1459 0.596 0.144 -0.827 + 106ALA HN 1460 0.504 0.116 -0.805 + 106ALA CA 1461 0.663 0.225 -0.729 + 106ALA HA 1462 0.761 0.184 -0.710 + 106ALA CB 1463 0.675 0.373 -0.773 + 106ALA HB1 1464 0.575 0.417 -0.791 + 106ALA HB2 1465 0.733 0.380 -0.867 + 106ALA HB3 1466 0.727 0.434 -0.695 + 106ALA C 1467 0.584 0.218 -0.601 + 106ALA O 1468 0.465 0.185 -0.602 + 107ARG N 1469 0.648 0.250 -0.488 + 107ARG HN 1470 0.746 0.271 -0.488 + 107ARG CA 1471 0.581 0.270 -0.362 + 107ARG HA 1472 0.475 0.279 -0.377 + 107ARG CB 1473 0.610 0.156 -0.262 + 107ARG HB1 1474 0.719 0.145 -0.247 + 107ARG HB2 1475 0.574 0.062 -0.309 + 107ARG CG 1476 0.540 0.173 -0.125 + 107ARG HG1 1477 0.433 0.201 -0.144 + 107ARG HG2 1478 0.586 0.256 -0.068 + 107ARG CD 1479 0.538 0.045 -0.039 + 107ARG HD1 1480 0.483 -0.035 -0.094 + 107ARG HD2 1481 0.485 0.066 0.057 + 107ARG NE 1482 0.678 0.007 -0.007 + 107ARG HE 1483 0.732 0.072 0.049 + 107ARG CZ 1484 0.729 -0.117 -0.007 + 107ARG NH1 1485 0.658 -0.220 -0.060 + 107ARG HH11 1486 0.575 -0.202 -0.107 + 107ARG HH12 1487 0.706 -0.308 -0.064 + 107ARG NH2 1488 0.844 -0.143 0.036 + 107ARG HH21 1489 0.910 -0.067 0.057 + 107ARG HH22 1490 0.880 -0.236 0.025 + 107ARG C 1491 0.633 0.403 -0.311 + 107ARG O 1492 0.751 0.427 -0.302 + 108LEU N 1493 0.537 0.496 -0.286 + 108LEU HN 1494 0.440 0.474 -0.293 + 108LEU CA 1495 0.566 0.635 -0.262 + 108LEU HA 1496 0.673 0.650 -0.253 + 108LEU CB 1497 0.507 0.724 -0.374 + 108LEU HB1 1498 0.523 0.831 -0.351 + 108LEU HB2 1499 0.397 0.705 -0.377 + 108LEU CG 1500 0.562 0.695 -0.515 + 108LEU HG 1501 0.561 0.585 -0.533 + 108LEU CD1 1502 0.471 0.757 -0.622 + 108LEU HD11 1503 0.469 0.868 -0.611 + 108LEU HD12 1504 0.368 0.718 -0.611 + 108LEU HD13 1505 0.507 0.732 -0.723 + 108LEU CD2 1506 0.705 0.747 -0.531 + 108LEU HD21 1507 0.771 0.698 -0.457 + 108LEU HD22 1508 0.710 0.856 -0.516 + 108LEU HD23 1509 0.744 0.723 -0.633 + 108LEU C 1510 0.503 0.677 -0.131 + 108LEU O 1511 0.393 0.633 -0.097 + 109TYR N 1512 0.570 0.765 -0.056 + 109TYR HN 1513 0.661 0.796 -0.085 + 109TYR CA 1514 0.520 0.816 0.070 + 109TYR HA 1515 0.425 0.771 0.094 + 109TYR CB 1516 0.621 0.794 0.186 + 109TYR HB1 1517 0.577 0.822 0.284 + 109TYR HB2 1518 0.712 0.854 0.169 + 109TYR CG 1519 0.660 0.649 0.192 + 109TYR CD1 1520 0.562 0.552 0.214 + 109TYR HD1 1521 0.460 0.584 0.229 + 109TYR CE1 1522 0.594 0.416 0.208 + 109TYR HE1 1523 0.517 0.341 0.222 + 109TYR CZ 1524 0.726 0.376 0.183 + 109TYR OH 1525 0.759 0.240 0.166 + 109TYR HH 1526 0.857 0.230 0.167 + 109TYR CD2 1527 0.793 0.609 0.173 + 109TYR HD2 1528 0.871 0.682 0.159 + 109TYR CE2 1529 0.826 0.472 0.169 + 109TYR HE2 1530 0.928 0.442 0.152 + 109TYR C 1531 0.499 0.965 0.056 + 109TYR O 1532 0.579 1.034 -0.006 + 110LEU N 1533 0.389 1.018 0.113 + 110LEU HN 1534 0.324 0.959 0.161 + 110LEU CA 1535 0.372 1.163 0.120 + 110LEU HA 1536 0.403 1.204 0.025 + 110LEU CB 1537 0.224 1.205 0.143 + 110LEU HB1 1538 0.195 1.174 0.246 + 110LEU HB2 1539 0.161 1.148 0.072 + 110LEU CG 1540 0.195 1.356 0.125 + 110LEU HG 1541 0.268 1.415 0.185 + 110LEU CD1 1542 0.206 1.400 -0.021 + 110LEU HD11 1543 0.132 1.345 -0.083 + 110LEU HD12 1544 0.307 1.379 -0.062 + 110LEU HD13 1545 0.186 1.509 -0.031 + 110LEU CD2 1546 0.056 1.391 0.180 + 110LEU HD21 1547 0.049 1.364 0.287 + 110LEU HD22 1548 -0.023 1.337 0.124 + 110LEU HD23 1549 0.037 1.500 0.170 + 110LEU C 1550 0.461 1.224 0.227 + 110LEU O 1551 0.474 1.176 0.339 + 111MET N 1552 0.524 1.338 0.194 + 111MET HN 1553 0.516 1.375 0.101 + 111MET CA 1554 0.615 1.407 0.281 + 111MET HA 1555 0.632 1.348 0.370 + 111MET CB 1556 0.751 1.432 0.214 + 111MET HB1 1557 0.817 1.480 0.289 + 111MET HB2 1558 0.740 1.501 0.128 + 111MET CG 1559 0.823 1.306 0.165 + 111MET HG1 1560 0.773 1.270 0.072 + 111MET HG2 1561 0.814 1.224 0.240 + 111MET SD 1562 0.999 1.339 0.131 + 111MET CE 1563 1.060 1.299 0.297 + 111MET HE1 1564 1.035 1.194 0.324 + 111MET HE2 1565 1.015 1.366 0.373 + 111MET HE3 1566 1.170 1.309 0.301 + 111MET C 1567 0.561 1.540 0.327 + 111MET O 1568 0.479 1.605 0.259 + 112ALA N 1569 0.604 1.585 0.445 + 112ALA HN 1570 0.669 1.529 0.498 + 112ALA CA 1571 0.569 1.715 0.498 + 112ALA HA 1572 0.481 1.753 0.448 + 112ALA CB 1573 0.542 1.703 0.649 + 112ALA HB1 1574 0.628 1.659 0.703 + 112ALA HB2 1575 0.454 1.638 0.667 + 112ALA HB3 1576 0.519 1.802 0.693 + 112ALA C 1577 0.683 1.814 0.481 + 112ALA O 1578 0.664 1.935 0.493 + 113SER N 1579 0.803 1.763 0.450 + 113SER HN 1580 0.817 1.664 0.440 + 113SER CA 1581 0.921 1.842 0.422 + 113SER HA 1582 0.895 1.918 0.351 + 113SER CB 1583 0.989 1.902 0.549 + 113SER HB1 1584 0.914 1.958 0.607 + 113SER HB2 1585 1.066 1.976 0.515 + 113SER OG 1586 1.054 1.805 0.632 + 113SER HG1 1587 0.986 1.757 0.683 + 113SER C 1588 1.015 1.745 0.355 + 113SER O 1589 0.987 1.626 0.352 + 114ASP N 1590 1.130 1.791 0.304 + 114ASP HN 1591 1.151 1.888 0.304 + 114ASP CA 1592 1.225 1.704 0.237 + 114ASP HA 1593 1.172 1.648 0.160 + 114ASP CB 1594 1.340 1.787 0.175 + 114ASP HB1 1595 1.422 1.721 0.141 + 114ASP HB2 1596 1.379 1.858 0.250 + 114ASP CG 1597 1.299 1.865 0.052 + 114ASP OD1 1598 1.197 1.834 -0.013 + 114ASP OD2 1599 1.386 1.949 0.014 + 114ASP C 1600 1.291 1.600 0.328 + 114ASP O 1601 1.356 1.508 0.281 + 115THR N 1602 1.281 1.617 0.462 + 115THR HN 1603 1.235 1.698 0.498 + 115THR CA 1604 1.340 1.523 0.556 + 115THR HA 1605 1.386 1.441 0.502 + 115THR CB 1606 1.450 1.585 0.644 + 115THR HB 1607 1.487 1.514 0.721 + 115THR OG1 1608 1.412 1.706 0.708 + 115THR HG1 1609 1.324 1.693 0.745 + 115THR CG2 1610 1.569 1.619 0.552 + 115THR HG21 1611 1.538 1.693 0.476 + 115THR HG22 1612 1.605 1.527 0.501 + 115THR HG23 1613 1.651 1.663 0.612 + 115THR C 1614 1.240 1.454 0.647 + 115THR O 1615 1.281 1.381 0.735 + 116THR N 1616 1.107 1.475 0.628 + 116THR HN 1617 1.074 1.531 0.553 + 116THR CA 1618 1.007 1.416 0.717 + 116THR HA 1619 1.046 1.324 0.758 + 116THR CB 1620 0.960 1.506 0.834 + 116THR HB 1621 0.885 1.450 0.896 + 116THR OG1 1622 0.901 1.628 0.789 + 116THR HG1 1623 0.818 1.600 0.748 + 116THR CG2 1624 1.077 1.542 0.926 + 116THR HG21 1625 1.151 1.606 0.872 + 116THR HG22 1626 1.128 1.450 0.961 + 116THR HG23 1627 1.040 1.598 1.014 + 116THR C 1628 0.881 1.378 0.643 + 116THR O 1629 0.832 1.452 0.556 + 117TYR N 1630 0.819 1.265 0.680 + 117TYR HN 1631 0.859 1.206 0.751 + 117TYR CA 1632 0.689 1.224 0.632 + 117TYR HA 1633 0.691 1.233 0.525 + 117TYR CB 1634 0.654 1.077 0.667 + 117TYR HB1 1635 0.555 1.048 0.626 + 117TYR HB2 1636 0.652 1.064 0.777 + 117TYR CG 1637 0.754 0.983 0.606 + 117TYR CD1 1638 0.778 0.980 0.468 + 117TYR HD1 1639 0.726 1.049 0.402 + 117TYR CE1 1640 0.868 0.887 0.414 + 117TYR HE1 1641 0.887 0.885 0.308 + 117TYR CZ 1642 0.932 0.795 0.497 + 117TYR OH 1643 1.020 0.700 0.442 + 117TYR HH 1644 1.042 0.635 0.511 + 117TYR CD2 1645 0.819 0.890 0.688 + 117TYR HD2 1646 0.798 0.888 0.794 + 117TYR CE2 1647 0.908 0.797 0.634 + 117TYR HE2 1648 0.956 0.724 0.699 + 117TYR C 1649 0.575 1.312 0.679 + 117TYR O 1650 0.585 1.387 0.777 + 118GLN N 1651 0.462 1.309 0.606 + 118GLN HN 1652 0.456 1.250 0.525 + 118GLN CA 1653 0.340 1.372 0.649 + 118GLN HA 1654 0.362 1.453 0.717 + 118GLN CB 1655 0.261 1.427 0.527 + 118GLN HB1 1656 0.237 1.342 0.459 + 118GLN HB2 1657 0.329 1.495 0.472 + 118GLN CG 1658 0.131 1.505 0.561 + 118GLN HG1 1659 0.058 1.438 0.610 + 118GLN HG2 1660 0.086 1.542 0.467 + 118GLN CD 1661 0.160 1.625 0.650 + 118GLN OE1 1662 0.211 1.728 0.603 + 118GLN NE2 1663 0.129 1.615 0.780 + 118GLN HE21 1664 0.083 1.533 0.814 + 118GLN HE22 1665 0.163 1.690 0.838 + 118GLN C 1666 0.254 1.271 0.724 + 118GLN O 1667 0.209 1.172 0.669 + 119GLU N 1668 0.229 1.300 0.853 + 119GLU HN 1669 0.269 1.380 0.896 + 119GLU CA 1670 0.147 1.217 0.939 + 119GLU HA 1671 0.153 1.113 0.907 + 119GLU CB 1672 0.191 1.229 1.087 + 119GLU HB1 1673 0.126 1.164 1.151 + 119GLU HB2 1674 0.178 1.334 1.120 + 119GLU CG 1675 0.338 1.188 1.112 + 119GLU HG1 1676 0.368 1.213 1.216 + 119GLU HG2 1677 0.407 1.237 1.041 + 119GLU CD 1678 0.359 1.037 1.099 + 119GLU OE1 1679 0.257 0.964 1.093 + 119GLU OE2 1680 0.477 0.998 1.100 + 119GLU C 1681 0.004 1.262 0.932 + 119GLU O 1682 -0.025 1.382 0.920 + 120PHE N 1683 -0.090 1.167 0.942 + 120PHE HN 1684 -0.062 1.070 0.941 + 120PHE CA 1685 -0.232 1.192 0.943 + 120PHE HA 1686 -0.251 1.298 0.957 + 120PHE CB 1687 -0.302 1.142 0.814 + 120PHE HB1 1688 -0.412 1.148 0.823 + 120PHE HB2 1689 -0.274 1.036 0.796 + 120PHE CG 1690 -0.260 1.222 0.694 + 120PHE CD1 1691 -0.140 1.193 0.625 + 120PHE HD1 1692 -0.074 1.116 0.663 + 120PHE CE1 1693 -0.109 1.259 0.506 + 120PHE HE1 1694 -0.018 1.233 0.454 + 120PHE CZ 1695 -0.196 1.357 0.455 + 120PHE HZ 1696 -0.172 1.408 0.363 + 120PHE CD2 1697 -0.346 1.320 0.641 + 120PHE HD2 1698 -0.439 1.340 0.692 + 120PHE CE2 1699 -0.314 1.388 0.523 + 120PHE HE2 1700 -0.382 1.462 0.483 + 120PHE C 1701 -0.294 1.120 1.060 + 120PHE O 1702 -0.275 1.002 1.080 + 121THR N 1703 -0.374 1.192 1.141 + 121THR HN 1704 -0.384 1.290 1.130 + 121THR CA 1705 -0.452 1.130 1.247 + 121THR HA 1706 -0.413 1.032 1.272 + 121THR CB 1707 -0.455 1.214 1.374 + 121THR HB 1708 -0.495 1.315 1.352 + 121THR OG1 1709 -0.322 1.227 1.423 + 121THR HG1 1710 -0.296 1.135 1.442 + 121THR CG2 1711 -0.539 1.148 1.484 + 121THR HG21 1712 -0.500 1.046 1.508 + 121THR HG22 1713 -0.646 1.139 1.455 + 121THR HG23 1714 -0.534 1.209 1.577 + 121THR C 1715 -0.591 1.110 1.194 + 121THR O 1716 -0.667 1.207 1.175 + 122LEU N 1717 -0.627 0.986 1.160 + 122LEU HN 1718 -0.565 0.909 1.177 + 122LEU CA 1719 -0.749 0.957 1.087 + 122LEU HA 1720 -0.762 1.032 1.010 + 122LEU CB 1721 -0.738 0.818 1.018 + 122LEU HB1 1722 -0.835 0.793 0.968 + 122LEU HB2 1723 -0.719 0.741 1.095 + 122LEU CG 1724 -0.628 0.807 0.910 + 122LEU HG 1725 -0.530 0.836 0.955 + 122LEU CD1 1726 -0.615 0.661 0.863 + 122LEU HD11 1727 -0.709 0.627 0.817 + 122LEU HD12 1728 -0.590 0.594 0.948 + 122LEU HD13 1729 -0.533 0.652 0.788 + 122LEU CD2 1730 -0.655 0.899 0.790 + 122LEU HD21 1731 -0.655 1.005 0.820 + 122LEU HD22 1732 -0.753 0.874 0.744 + 122LEU HD23 1733 -0.576 0.884 0.713 + 122LEU C 1734 -0.874 0.961 1.172 + 122LEU O 1735 -0.983 0.991 1.122 + 123LEU N 1736 -0.864 0.936 1.303 + 123LEU HN 1737 -0.775 0.919 1.345 + 123LEU CA 1738 -0.981 0.925 1.389 + 123LEU HA 1739 -1.048 0.855 1.339 + 123LEU CB 1740 -0.946 0.867 1.528 + 123LEU HB1 1741 -0.880 0.940 1.580 + 123LEU HB2 1742 -0.887 0.775 1.513 + 123LEU CG 1743 -1.067 0.834 1.618 + 123LEU HG 1744 -1.134 0.923 1.623 + 123LEU CD1 1745 -1.147 0.715 1.562 + 123LEU HD11 1746 -1.082 0.626 1.551 + 123LEU HD12 1747 -1.189 0.739 1.462 + 123LEU HD13 1748 -1.231 0.689 1.629 + 123LEU CD2 1749 -1.023 0.803 1.762 + 123LEU HD21 1750 -0.963 0.888 1.802 + 123LEU HD22 1751 -0.959 0.712 1.764 + 123LEU HD23 1752 -1.111 0.787 1.827 + 123LEU C 1753 -1.059 1.055 1.405 + 123LEU O 1754 -1.006 1.157 1.452 + 124GLY N 1755 -1.188 1.056 1.367 + 124GLY HN 1756 -1.230 0.974 1.325 + 124GLY CA 1757 -1.274 1.174 1.373 + 124GLY HA1 1758 -1.245 1.236 1.457 + 124GLY HA2 1759 -1.376 1.140 1.378 + 124GLY C 1760 -1.263 1.258 1.249 + 124GLY O 1761 -1.309 1.373 1.245 + 125ASN N 1762 -1.203 1.204 1.143 + 125ASN HN 1763 -1.173 1.108 1.147 + 125ASN CA 1764 -1.172 1.274 1.021 + 125ASN HA 1765 -1.235 1.361 1.012 + 125ASN CB 1766 -1.022 1.315 1.013 + 125ASN HB1 1767 -1.001 1.366 0.916 + 125ASN HB2 1768 -0.957 1.226 1.019 + 125ASN CG 1769 -0.986 1.415 1.122 + 125ASN OD1 1770 -1.017 1.533 1.113 + 125ASN ND2 1771 -0.909 1.370 1.224 + 125ASN HD21 1772 -0.873 1.276 1.222 + 125ASN HD22 1773 -0.893 1.428 1.301 + 125ASN C 1774 -1.208 1.183 0.904 + 125ASN O 1775 -1.238 1.066 0.919 + 126GLU N 1776 -1.208 1.242 0.783 + 126GLU HN 1777 -1.185 1.338 0.772 + 126GLU CA 1778 -1.236 1.169 0.662 + 126GLU HA 1779 -1.228 1.063 0.680 + 126GLU CB 1780 -1.378 1.204 0.607 + 126GLU HB1 1781 -1.450 1.191 0.691 + 126GLU HB2 1782 -1.405 1.129 0.529 + 126GLU CG 1783 -1.391 1.346 0.546 + 126GLU HG1 1784 -1.332 1.352 0.453 + 126GLU HG2 1785 -1.352 1.420 0.618 + 126GLU CD 1786 -1.534 1.388 0.513 + 126GLU OE1 1787 -1.632 1.318 0.544 + 126GLU OE2 1788 -1.546 1.502 0.455 + 126GLU C 1789 -1.130 1.204 0.561 + 126GLU O 1790 -1.061 1.308 0.571 + 127PHE N 1791 -1.112 1.117 0.462 + 127PHE HN 1792 -1.173 1.036 0.457 + 127PHE CA 1793 -1.013 1.128 0.359 + 127PHE HA 1794 -0.971 1.228 0.358 + 127PHE CB 1795 -0.901 1.023 0.382 + 127PHE HB1 1796 -0.941 0.920 0.373 + 127PHE HB2 1797 -0.861 1.035 0.484 + 127PHE CG 1798 -0.787 1.040 0.284 + 127PHE CD1 1799 -0.680 1.125 0.315 + 127PHE HD1 1800 -0.680 1.179 0.408 + 127PHE CE1 1801 -0.571 1.137 0.228 + 127PHE HE1 1802 -0.487 1.201 0.254 + 127PHE CZ 1803 -0.569 1.064 0.109 + 127PHE HZ 1804 -0.484 1.072 0.041 + 127PHE CD2 1805 -0.784 0.967 0.164 + 127PHE HD2 1806 -0.865 0.900 0.140 + 127PHE CE2 1807 -0.676 0.981 0.076 + 127PHE HE2 1808 -0.674 0.924 -0.016 + 127PHE C 1809 -1.085 1.107 0.226 + 127PHE O 1810 -1.158 1.012 0.208 + 128SER N 1811 -1.065 1.203 0.133 + 128SER HN 1812 -1.002 1.278 0.151 + 128SER CA 1813 -1.126 1.202 0.002 + 128SER HA 1814 -1.181 1.111 -0.015 + 128SER CB 1815 -1.222 1.324 -0.017 + 128SER HB1 1816 -1.167 1.417 0.011 + 128SER HB2 1817 -1.306 1.312 0.055 + 128SER OG 1818 -1.276 1.339 -0.149 + 128SER HG1 1819 -1.201 1.344 -0.211 + 128SER C 1820 -1.016 1.210 -0.101 + 128SER O 1821 -0.917 1.281 -0.082 + 129PHE N 1822 -1.031 1.138 -0.213 + 129PHE HN 1823 -1.108 1.075 -0.226 + 129PHE CA 1824 -0.937 1.147 -0.323 + 129PHE HA 1825 -0.909 1.250 -0.336 + 129PHE CB 1826 -0.808 1.061 -0.302 + 129PHE HB1 1827 -0.759 1.091 -0.207 + 129PHE HB2 1828 -0.737 1.081 -0.385 + 129PHE CG 1829 -0.835 0.912 -0.295 + 129PHE CD1 1830 -0.896 0.856 -0.182 + 129PHE HD1 1831 -0.923 0.919 -0.099 + 129PHE CE1 1832 -0.926 0.719 -0.178 + 129PHE HE1 1833 -0.978 0.678 -0.093 + 129PHE CZ 1834 -0.893 0.637 -0.286 + 129PHE HZ 1835 -0.920 0.533 -0.285 + 129PHE CD2 1836 -0.798 0.828 -0.402 + 129PHE HD2 1837 -0.749 0.869 -0.489 + 129PHE CE2 1838 -0.827 0.691 -0.397 + 129PHE HE2 1839 -0.800 0.626 -0.479 + 129PHE C 1840 -1.013 1.106 -0.448 + 129PHE O 1841 -1.112 1.034 -0.443 + 130ASP N 1842 -0.967 1.156 -0.565 + 130ASP HN 1843 -0.887 1.215 -0.567 + 130ASP CA 1844 -1.013 1.111 -0.694 + 130ASP HA 1845 -1.109 1.062 -0.684 + 130ASP CB 1846 -1.020 1.224 -0.802 + 130ASP HB1 1847 -1.050 1.178 -0.897 + 130ASP HB2 1848 -0.919 1.269 -0.812 + 130ASP CG 1849 -1.119 1.337 -0.778 + 130ASP OD1 1850 -1.200 1.337 -0.685 + 130ASP OD2 1851 -1.115 1.430 -0.867 + 130ASP C 1852 -0.913 1.006 -0.744 + 130ASP O 1853 -0.792 1.014 -0.717 + 131VAL N 1854 -0.959 0.907 -0.821 + 131VAL HN 1855 -1.057 0.897 -0.839 + 131VAL CA 1856 -0.872 0.802 -0.872 + 131VAL HA 1857 -0.773 0.844 -0.888 + 131VAL CB 1858 -0.857 0.686 -0.773 + 131VAL HB 1859 -0.826 0.731 -0.676 + 131VAL CG1 1860 -0.992 0.614 -0.750 + 131VAL HG11 1861 -1.026 0.561 -0.841 + 131VAL HG12 1862 -1.071 0.685 -0.717 + 131VAL HG13 1863 -0.980 0.538 -0.669 + 131VAL CG2 1864 -0.746 0.589 -0.816 + 131VAL HG21 1865 -0.650 0.643 -0.830 + 131VAL HG22 1866 -0.771 0.537 -0.911 + 131VAL HG23 1867 -0.731 0.512 -0.738 + 131VAL C 1868 -0.922 0.758 -1.008 + 131VAL O 1869 -1.041 0.757 -1.036 + 132ASP N 1870 -0.828 0.726 -1.099 + 132ASP HN 1871 -0.731 0.732 -1.073 + 132ASP CA 1872 -0.854 0.670 -1.230 + 132ASP HA 1873 -0.960 0.655 -1.244 + 132ASP CB 1874 -0.798 0.762 -1.342 + 132ASP HB1 1875 -0.689 0.775 -1.325 + 132ASP HB2 1876 -0.845 0.862 -1.335 + 132ASP CG 1877 -0.816 0.710 -1.485 + 132ASP OD1 1878 -0.901 0.623 -1.511 + 132ASP OD2 1879 -0.744 0.765 -1.574 + 132ASP C 1880 -0.786 0.534 -1.230 + 132ASP O 1881 -0.664 0.523 -1.213 + 133VAL N 1882 -0.866 0.427 -1.246 + 133VAL HN 1883 -0.964 0.439 -1.258 + 133VAL CA 1884 -0.819 0.289 -1.240 + 133VAL HA 1885 -0.713 0.286 -1.220 + 133VAL CB 1886 -0.892 0.210 -1.131 + 133VAL HB 1887 -0.859 0.103 -1.134 + 133VAL CG1 1888 -0.854 0.266 -0.992 + 133VAL HG11 1889 -0.893 0.368 -0.979 + 133VAL HG12 1890 -0.744 0.267 -0.980 + 133VAL HG13 1891 -0.897 0.201 -0.913 + 133VAL CG2 1892 -1.045 0.214 -1.153 + 133VAL HG21 1893 -1.072 0.175 -1.252 + 133VAL HG22 1894 -1.085 0.317 -1.141 + 133VAL HG23 1895 -1.094 0.151 -1.077 + 133VAL C 1896 -0.841 0.223 -1.375 + 133VAL O 1897 -0.827 0.101 -1.390 + 134SER N 1898 -0.873 0.301 -1.479 + 134SER HN 1899 -0.879 0.401 -1.466 + 134SER CA 1900 -0.916 0.251 -1.609 + 134SER HA 1901 -0.998 0.182 -1.590 + 134SER CB 1902 -0.968 0.363 -1.703 + 134SER HB1 1903 -1.054 0.412 -1.652 + 134SER HB2 1904 -1.006 0.317 -1.797 + 134SER OG 1905 -0.871 0.463 -1.734 + 134SER HG1 1906 -0.866 0.522 -1.655 + 134SER C 1907 -0.811 0.170 -1.683 + 134SER O 1908 -0.844 0.081 -1.763 + 135GLN N 1909 -0.683 0.200 -1.659 + 135GLN HN 1910 -0.662 0.271 -1.592 + 135GLN CA 1911 -0.570 0.137 -1.724 + 135GLN HA 1912 -0.603 0.093 -1.818 + 135GLN CB 1913 -0.459 0.242 -1.752 + 135GLN HB1 1914 -0.376 0.192 -1.807 + 135GLN HB2 1915 -0.419 0.279 -1.656 + 135GLN CG 1916 -0.504 0.364 -1.835 + 135GLN HG1 1917 -0.416 0.426 -1.861 + 135GLN HG2 1918 -0.572 0.427 -1.774 + 135GLN CD 1919 -0.573 0.324 -1.967 + 135GLN OE1 1920 -0.513 0.266 -2.057 + 135GLN NE2 1921 -0.703 0.360 -1.979 + 135GLN HE21 1922 -0.750 0.399 -1.901 + 135GLN HE22 1923 -0.748 0.329 -2.063 + 135GLN C 1924 -0.513 0.023 -1.641 + 135GLN O 1925 -0.406 -0.027 -1.671 + 136LEU N 1926 -0.585 -0.022 -1.536 + 136LEU HN 1927 -0.672 0.021 -1.510 + 136LEU CA 1928 -0.544 -0.134 -1.454 + 136LEU HA 1929 -0.440 -0.157 -1.471 + 136LEU CB 1930 -0.558 -0.102 -1.302 + 136LEU HB1 1931 -0.525 -0.191 -1.243 + 136LEU HB2 1932 -0.666 -0.083 -1.279 + 136LEU CG 1933 -0.479 0.020 -1.252 + 136LEU HG 1934 -0.510 0.110 -1.309 + 136LEU CD1 1935 -0.511 0.044 -1.104 + 136LEU HD11 1936 -0.481 -0.045 -1.043 + 136LEU HD12 1937 -0.620 0.060 -1.089 + 136LEU HD13 1938 -0.457 0.132 -1.065 + 136LEU CD2 1939 -0.327 0.001 -1.271 + 136LEU HD21 1940 -0.302 -0.006 -1.379 + 136LEU HD22 1941 -0.293 -0.091 -1.220 + 136LEU HD23 1942 -0.273 0.088 -1.229 + 136LEU C 1943 -0.631 -0.255 -1.485 + 136LEU O 1944 -0.750 -0.257 -1.450 + 137PRO N 1945 -0.582 -0.360 -1.550 + 137PRO CD 1946 -0.456 -0.361 -1.625 + 137PRO HD1 1947 -0.369 -0.345 -1.558 + 137PRO HD2 1948 -0.459 -0.283 -1.704 + 137PRO CA 1949 -0.660 -0.482 -1.571 + 137PRO HA 1950 -0.766 -0.461 -1.579 + 137PRO CB 1951 -0.597 -0.537 -1.700 + 137PRO HB1 1952 -0.640 -0.484 -1.787 + 137PRO HB2 1953 -0.612 -0.646 -1.716 + 137PRO CG 1954 -0.449 -0.500 -1.689 + 137PRO HG1 1955 -0.397 -0.570 -1.620 + 137PRO HG2 1956 -0.397 -0.500 -1.787 + 137PRO C 1957 -0.638 -0.576 -1.453 + 137PRO O 1958 -0.587 -0.535 -1.350 + 138CYS N 1959 -0.676 -0.705 -1.470 + 138CYS HN 1960 -0.717 -0.734 -1.554 + 138CYS CA 1961 -0.653 -0.811 -1.373 + 138CYS HA 1962 -0.704 -0.785 -1.281 + 138CYS CB 1963 -0.705 -0.947 -1.427 + 138CYS HB1 1964 -0.687 -1.026 -1.350 + 138CYS HB2 1965 -0.646 -0.974 -1.518 + 138CYS SG 1966 -0.881 -0.947 -1.471 + 138CYS C 1967 -0.506 -0.832 -1.341 + 138CYS O 1968 -0.421 -0.831 -1.431 + 139GLY N 1969 -0.474 -0.854 -1.212 + 139GLY HN 1970 -0.549 -0.860 -1.144 + 139GLY CA 1971 -0.339 -0.885 -1.167 + 139GLY HA1 1972 -0.281 -0.924 -1.249 + 139GLY HA2 1973 -0.347 -0.956 -1.086 + 139GLY C 1974 -0.260 -0.767 -1.117 + 139GLY O 1975 -0.150 -0.782 -1.067 + 140LEU N 1976 -0.317 -0.646 -1.130 + 140LEU HN 1977 -0.408 -0.640 -1.170 + 140LEU CA 1978 -0.255 -0.523 -1.088 + 140LEU HA 1979 -0.155 -0.542 -1.051 + 140LEU CB 1980 -0.248 -0.416 -1.201 + 140LEU HB1 1981 -0.231 -0.315 -1.155 + 140LEU HB2 1982 -0.344 -0.412 -1.255 + 140LEU CG 1983 -0.131 -0.433 -1.301 + 140LEU HG 1984 -0.037 -0.448 -1.241 + 140LEU CD1 1985 -0.146 -0.555 -1.393 + 140LEU HD11 1986 -0.243 -0.551 -1.448 + 140LEU HD12 1987 -0.142 -0.649 -1.335 + 140LEU HD13 1988 -0.063 -0.557 -1.467 + 140LEU CD2 1989 -0.113 -0.305 -1.383 + 140LEU HD21 1990 -0.085 -0.220 -1.317 + 140LEU HD22 1991 -0.207 -0.279 -1.436 + 140LEU HD23 1992 -0.033 -0.319 -1.458 + 140LEU C 1993 -0.333 -0.466 -0.973 + 140LEU O 1994 -0.452 -0.495 -0.955 + 141ASN N 1995 -0.268 -0.383 -0.891 + 141ASN HN 1996 -0.169 -0.366 -0.903 + 141ASN CA 1997 -0.331 -0.316 -0.780 + 141ASN HA 1998 -0.437 -0.302 -0.801 + 141ASN CB 1999 -0.315 -0.403 -0.653 + 141ASN HB1 2000 -0.207 -0.424 -0.635 + 141ASN HB2 2001 -0.367 -0.499 -0.673 + 141ASN CG 2002 -0.376 -0.344 -0.526 + 141ASN OD1 2003 -0.436 -0.236 -0.525 + 141ASN ND2 2004 -0.361 -0.418 -0.414 + 141ASN HD21 2005 -0.395 -0.381 -0.328 + 141ASN HD22 2006 -0.310 -0.504 -0.419 + 141ASN C 2007 -0.268 -0.178 -0.771 + 141ASN O 2008 -0.149 -0.163 -0.752 + 142GLY N 2009 -0.352 -0.074 -0.789 + 142GLY HN 2010 -0.449 -0.091 -0.806 + 142GLY CA 2011 -0.316 0.063 -0.755 + 142GLY HA1 2012 -0.363 0.128 -0.826 + 142GLY HA2 2013 -0.208 0.075 -0.749 + 142GLY C 2014 -0.375 0.091 -0.621 + 142GLY O 2015 -0.496 0.102 -0.607 + 143ALA N 2016 -0.289 0.106 -0.519 + 143ALA HN 2017 -0.191 0.105 -0.533 + 143ALA CA 2018 -0.333 0.113 -0.381 + 143ALA HA 2019 -0.440 0.098 -0.376 + 143ALA CB 2020 -0.266 0.004 -0.296 + 143ALA HB1 2021 -0.156 0.015 -0.295 + 143ALA HB2 2022 -0.290 -0.097 -0.338 + 143ALA HB3 2023 -0.303 0.006 -0.191 + 143ALA C 2024 -0.303 0.249 -0.323 + 143ALA O 2025 -0.207 0.319 -0.360 + 144LEU N 2026 -0.389 0.292 -0.229 + 144LEU HN 2027 -0.462 0.230 -0.199 + 144LEU CA 2028 -0.369 0.411 -0.151 + 144LEU HA 2029 -0.264 0.439 -0.153 + 144LEU CB 2030 -0.457 0.530 -0.200 + 144LEU HB1 2031 -0.564 0.501 -0.199 + 144LEU HB2 2032 -0.428 0.547 -0.306 + 144LEU CG 2033 -0.438 0.663 -0.123 + 144LEU HG 2034 -0.331 0.669 -0.093 + 144LEU CD1 2035 -0.469 0.782 -0.215 + 144LEU HD11 2036 -0.575 0.779 -0.246 + 144LEU HD12 2037 -0.406 0.779 -0.306 + 144LEU HD13 2038 -0.449 0.878 -0.162 + 144LEU CD2 2039 -0.526 0.673 0.003 + 144LEU HD21 2040 -0.504 0.592 0.076 + 144LEU HD22 2041 -0.634 0.666 -0.024 + 144LEU HD23 2042 -0.508 0.769 0.055 + 144LEU C 2043 -0.403 0.371 -0.010 + 144LEU O 2044 -0.511 0.318 0.016 + 145TYR N 2045 -0.312 0.394 0.085 + 145TYR HN 2046 -0.225 0.441 0.066 + 145TYR CA 2047 -0.326 0.335 0.215 + 145TYR HA 2048 -0.428 0.346 0.248 + 145TYR CB 2049 -0.293 0.182 0.214 + 145TYR HB1 2050 -0.360 0.131 0.142 + 145TYR HB2 2051 -0.312 0.135 0.313 + 145TYR CG 2052 -0.152 0.149 0.174 + 145TYR CD1 2053 -0.112 0.154 0.040 + 145TYR HD1 2054 -0.182 0.185 -0.036 + 145TYR CE1 2055 0.017 0.114 0.002 + 145TYR HE1 2056 0.047 0.119 -0.101 + 145TYR CZ 2057 0.105 0.063 0.099 + 145TYR OH 2058 0.232 0.016 0.063 + 145TYR HH 2059 0.264 -0.035 0.140 + 145TYR CD2 2060 -0.063 0.098 0.270 + 145TYR HD2 2061 -0.096 0.084 0.372 + 145TYR CE2 2062 0.065 0.055 0.233 + 145TYR HE2 2063 0.130 0.012 0.308 + 145TYR C 2064 -0.243 0.413 0.314 + 145TYR O 2065 -0.169 0.504 0.279 + 146PHE N 2066 -0.261 0.383 0.444 + 146PHE HN 2067 -0.322 0.307 0.468 + 146PHE CA 2068 -0.187 0.444 0.551 + 146PHE HA 2069 -0.107 0.505 0.511 + 146PHE CB 2070 -0.276 0.528 0.646 + 146PHE HB1 2071 -0.218 0.562 0.734 + 146PHE HB2 2072 -0.361 0.467 0.683 + 146PHE CG 2073 -0.330 0.650 0.579 + 146PHE CD1 2074 -0.261 0.772 0.591 + 146PHE HD1 2075 -0.167 0.775 0.644 + 146PHE CE1 2076 -0.313 0.889 0.535 + 146PHE HE1 2077 -0.258 0.980 0.542 + 146PHE CZ 2078 -0.435 0.886 0.468 + 146PHE HZ 2079 -0.475 0.976 0.424 + 146PHE CD2 2080 -0.454 0.648 0.512 + 146PHE HD2 2081 -0.507 0.555 0.505 + 146PHE CE2 2082 -0.506 0.765 0.456 + 146PHE HE2 2083 -0.601 0.763 0.405 + 146PHE C 2084 -0.123 0.336 0.635 + 146PHE O 2085 -0.179 0.229 0.653 + 147VAL N 2086 -0.005 0.365 0.693 + 147VAL HN 2087 0.040 0.452 0.676 + 147VAL CA 2088 0.066 0.272 0.779 + 147VAL HA 2089 -0.003 0.201 0.822 + 147VAL CB 2090 0.176 0.193 0.707 + 147VAL HB 2091 0.238 0.137 0.781 + 147VAL CG1 2092 0.114 0.087 0.615 + 147VAL HG11 2093 0.056 0.134 0.533 + 147VAL HG12 2094 0.046 0.020 0.671 + 147VAL HG13 2095 0.193 0.024 0.568 + 147VAL CG2 2096 0.267 0.287 0.627 + 147VAL HG21 2097 0.314 0.364 0.692 + 147VAL HG22 2098 0.209 0.339 0.548 + 147VAL HG23 2099 0.348 0.229 0.578 + 147VAL C 2100 0.127 0.350 0.893 + 147VAL O 2101 0.162 0.467 0.880 + 148SER N 2102 0.138 0.289 1.013 + 148SER HN 2103 0.105 0.194 1.022 + 148SER CA 2104 0.196 0.354 1.129 + 148SER HA 2105 0.168 0.458 1.128 + 148SER CB 2106 0.146 0.296 1.264 + 148SER HB1 2107 0.202 0.340 1.349 + 148SER HB2 2108 0.163 0.185 1.264 + 148SER OG 2109 0.007 0.322 1.285 + 148SER HG1 2110 -0.004 0.417 1.279 + 148SER C 2111 0.349 0.352 1.130 + 148SER O 2112 0.412 0.289 1.214 + 149MET N 2113 0.410 0.427 1.036 + 149MET HN 2114 0.354 0.478 0.971 + 149MET CA 2115 0.553 0.449 1.028 + 149MET HA 2116 0.603 0.359 1.059 + 149MET CB 2117 0.598 0.483 0.883 + 149MET HB1 2118 0.705 0.515 0.883 + 149MET HB2 2119 0.537 0.568 0.846 + 149MET CG 2120 0.588 0.365 0.785 + 149MET HG1 2121 0.492 0.311 0.804 + 149MET HG2 2122 0.669 0.292 0.807 + 149MET SD 2123 0.593 0.413 0.609 + 149MET CE 2124 0.757 0.488 0.603 + 149MET HE1 2125 0.836 0.416 0.634 + 149MET HE2 2126 0.763 0.576 0.671 + 149MET HE3 2127 0.781 0.524 0.501 + 149MET C 2128 0.598 0.559 1.122 + 149MET O 2129 0.518 0.635 1.177 + 150ASP N 2130 0.730 0.570 1.145 + 150ASP HN 2131 0.795 0.505 1.105 + 150ASP CA 2132 0.787 0.682 1.216 + 150ASP HA 2133 0.716 0.717 1.290 + 150ASP CB 2134 0.919 0.641 1.287 + 150ASP HB1 2135 0.960 0.728 1.342 + 150ASP HB2 2136 0.994 0.611 1.211 + 150ASP CG 2137 0.907 0.526 1.388 + 150ASP OD1 2138 0.806 0.517 1.464 + 150ASP OD2 2139 1.005 0.452 1.405 + 150ASP C 2140 0.814 0.796 1.117 + 150ASP O 2141 0.862 0.774 1.005 + 151ALA N 2142 0.788 0.923 1.156 + 151ALA HN 2143 0.743 0.936 1.243 + 151ALA CA 2144 0.794 1.041 1.070 + 151ALA HA 2145 0.721 1.026 0.991 + 151ALA CB 2146 0.755 1.168 1.150 + 151ALA HB1 2147 0.831 1.190 1.228 + 151ALA HB2 2148 0.657 1.152 1.198 + 151ALA HB3 2149 0.747 1.255 1.081 + 151ALA C 2150 0.929 1.068 1.006 + 151ALA O 2151 0.939 1.123 0.896 + 152ASP N 2152 1.038 1.033 1.076 + 152ASP HN 2153 1.030 0.984 1.163 + 152ASP CA 2154 1.173 1.060 1.034 + 152ASP HA 2155 1.173 1.142 0.964 + 152ASP CB 2156 1.259 1.099 1.159 + 152ASP HB1 2157 1.211 1.186 1.208 + 152ASP HB2 2158 1.361 1.128 1.125 + 152ASP CG 2159 1.277 0.990 1.264 + 152ASP OD1 2160 1.211 0.884 1.253 + 152ASP OD2 2161 1.358 1.010 1.359 + 152ASP C 2162 1.232 0.940 0.959 + 152ASP O 2163 1.344 0.946 0.909 + 153GLY N 2164 1.156 0.830 0.946 + 153GLY HN 2165 1.062 0.829 0.984 + 153GLY CA 2166 1.200 0.707 0.881 + 153GLY HA1 2167 1.263 0.732 0.797 + 153GLY HA2 2168 1.111 0.652 0.852 + 153GLY C 2169 1.279 0.618 0.973 + 153GLY O 2170 1.339 0.521 0.929 + 154GLY N 2171 1.279 0.649 1.104 + 154GLY HN 2172 1.233 0.733 1.137 + 154GLY CA 2173 1.341 0.567 1.208 + 154GLY HA1 2174 1.348 0.464 1.175 + 154GLY HA2 2175 1.279 0.577 1.296 + 154GLY C 2176 1.480 0.611 1.247 + 154GLY O 2177 1.553 0.539 1.312 + 155VAL N 2178 1.521 0.733 1.206 + 155VAL HN 2179 1.457 0.791 1.156 + 155VAL CA 2180 1.653 0.789 1.234 + 155VAL HA 2181 1.728 0.719 1.198 + 155VAL CB 2182 1.674 0.923 1.163 + 155VAL HB 2183 1.593 0.993 1.193 + 155VAL CG1 2184 1.811 0.986 1.196 + 155VAL HG11 2185 1.893 0.915 1.170 + 155VAL HG12 2186 1.821 1.012 1.303 + 155VAL HG13 2187 1.826 1.079 1.136 + 155VAL CG2 2188 1.665 0.899 1.011 + 155VAL HG21 2189 1.566 0.858 0.983 + 155VAL HG22 2190 1.744 0.828 0.979 + 155VAL HG23 2191 1.679 0.995 0.956 + 155VAL C 2192 1.681 0.805 1.383 + 155VAL O 2193 1.786 0.771 1.434 + 156SER N 2194 1.582 0.859 1.458 + 156SER HN 2195 1.497 0.891 1.415 + 156SER CA 2196 1.592 0.876 1.602 + 156SER HA 2197 1.682 0.934 1.621 + 156SER CB 2198 1.471 0.954 1.659 + 156SER HB1 2199 1.472 1.057 1.615 + 156SER HB2 2200 1.479 0.965 1.770 + 156SER OG 2201 1.346 0.894 1.624 + 156SER HG1 2202 1.329 0.917 1.531 + 156SER C 2203 1.610 0.748 1.684 + 156SER O 2204 1.691 0.742 1.775 + 157LYS N 2205 1.532 0.643 1.650 + 157LYS HN 2206 1.466 0.654 1.577 + 157LYS CA 2207 1.538 0.513 1.714 + 157LYS HA 2208 1.539 0.528 1.822 + 157LYS CB 2209 1.414 0.428 1.676 + 157LYS HB1 2210 1.424 0.326 1.719 + 157LYS HB2 2211 1.410 0.419 1.565 + 157LYS CG 2212 1.281 0.485 1.725 + 157LYS HG1 2213 1.266 0.588 1.685 + 157LYS HG2 2214 1.282 0.493 1.837 + 157LYS CD 2215 1.163 0.398 1.681 + 157LYS HD1 2216 1.178 0.294 1.720 + 157LYS HD2 2217 1.165 0.392 1.570 + 157LYS CE 2218 1.027 0.451 1.727 + 157LYS HE1 2219 1.011 0.555 1.689 + 157LYS HE2 2220 1.020 0.452 1.838 + 157LYS NZ 2221 0.918 0.368 1.673 + 157LYS HZ1 2222 0.932 0.268 1.700 + 157LYS HZ2 2223 0.918 0.381 1.568 + 157LYS HZ3 2224 0.827 0.403 1.708 + 157LYS C 2225 1.663 0.433 1.681 + 157LYS O 2226 1.719 0.361 1.763 + 158TYR N 2227 1.708 0.447 1.554 + 158TYR HN 2228 1.663 0.509 1.490 + 158TYR CA 2229 1.814 0.365 1.498 + 158TYR HA 2230 1.856 0.301 1.574 + 158TYR CB 2231 1.758 0.273 1.385 + 158TYR HB1 2232 1.833 0.198 1.356 + 158TYR HB2 2233 1.732 0.334 1.295 + 158TYR CG 2234 1.631 0.203 1.430 + 158TYR CD1 2235 1.633 0.119 1.542 + 158TYR HD1 2236 1.725 0.101 1.594 + 158TYR CE1 2237 1.513 0.064 1.592 + 158TYR HE1 2238 1.515 0.003 1.681 + 158TYR CZ 2239 1.391 0.090 1.528 + 158TYR OH 2240 1.270 0.038 1.577 + 158TYR HH 2241 1.203 0.052 1.507 + 158TYR CD2 2242 1.509 0.225 1.364 + 158TYR HD2 2243 1.506 0.289 1.277 + 158TYR CE2 2244 1.390 0.170 1.413 + 158TYR HE2 2245 1.296 0.191 1.363 + 158TYR C 2246 1.923 0.455 1.443 + 158TYR O 2247 1.912 0.499 1.324 + 159PRO N 2248 2.033 0.484 1.511 + 159PRO CD 2249 2.044 0.459 1.656 + 159PRO HD1 2250 2.097 0.362 1.670 + 159PRO HD2 2251 1.946 0.457 1.708 + 159PRO CA 2252 2.126 0.589 1.469 + 159PRO HA 2253 2.069 0.677 1.444 + 159PRO CB 2254 2.218 0.608 1.591 + 159PRO HB1 2255 2.259 0.711 1.595 + 159PRO HB2 2256 2.302 0.535 1.589 + 159PRO CG 2257 2.126 0.576 1.709 + 159PRO HG1 2258 2.179 0.554 1.803 + 159PRO HG2 2259 2.058 0.663 1.726 + 159PRO C 2260 2.211 0.552 1.349 + 159PRO O 2261 2.278 0.639 1.292 + 160THR N 2262 2.215 0.423 1.311 + 160THR HN 2263 2.163 0.354 1.360 + 160THR CA 2264 2.288 0.373 1.195 + 160THR HA 2265 2.382 0.426 1.188 + 160THR CB 2266 2.316 0.224 1.203 + 160THR HB 2267 2.342 0.180 1.104 + 160THR OG1 2268 2.206 0.154 1.260 + 160THR HG1 2269 2.169 0.101 1.187 + 160THR CG2 2270 2.437 0.202 1.296 + 160THR HG21 2271 2.414 0.237 1.399 + 160THR HG22 2272 2.525 0.257 1.258 + 160THR HG23 2273 2.462 0.094 1.301 + 160THR C 2274 2.213 0.402 1.066 + 160THR O 2275 2.270 0.402 0.957 + 161ASN N 2276 2.083 0.435 1.078 + 161ASN HN 2277 2.040 0.440 1.168 + 161ASN CA 2278 2.007 0.493 0.971 + 161ASN HA 2279 2.041 0.453 0.876 + 161ASN CB 2280 1.856 0.461 0.990 + 161ASN HB1 2281 1.820 0.507 1.085 + 161ASN HB2 2282 1.843 0.352 0.998 + 161ASN CG 2283 1.772 0.511 0.874 + 161ASN OD1 2284 1.823 0.550 0.768 + 161ASN ND2 2285 1.638 0.514 0.894 + 161ASN HD21 2286 1.579 0.535 0.817 + 161ASN HD22 2287 1.600 0.491 0.984 + 161ASN C 2288 2.030 0.643 0.972 + 161ASN O 2289 1.990 0.714 1.064 + 162THR N 2290 2.097 0.696 0.869 + 162THR HN 2291 2.135 0.637 0.799 + 162THR CA 2292 2.121 0.839 0.853 + 162THR HA 2293 2.068 0.894 0.930 + 162THR CB 2294 2.269 0.878 0.862 + 162THR HB 2295 2.281 0.988 0.841 + 162THR OG1 2296 2.352 0.804 0.773 + 162THR HG1 2297 2.430 0.860 0.765 + 162THR CG2 2298 2.319 0.850 1.004 + 162THR HG21 2299 2.313 0.742 1.028 + 162THR HG22 2300 2.257 0.905 1.078 + 162THR HG23 2301 2.424 0.883 1.015 + 162THR C 2302 2.064 0.885 0.722 + 162THR O 2303 2.096 0.993 0.672 + 163ALA N 2304 1.977 0.803 0.661 + 163ALA HN 2305 1.947 0.718 0.706 + 163ALA CA 2306 1.917 0.832 0.533 + 163ALA HA 2307 1.972 0.910 0.482 + 163ALA CB 2308 1.919 0.703 0.449 + 163ALA HB1 2309 1.849 0.627 0.490 + 163ALA HB2 2310 2.021 0.660 0.447 + 163ALA HB3 2311 1.890 0.725 0.344 + 163ALA C 2312 1.775 0.881 0.553 + 163ALA O 2313 1.730 0.977 0.487 + 164GLY N 2314 1.703 0.821 0.649 + 164GLY HN 2315 1.741 0.740 0.695 + 164GLY CA 2316 1.570 0.860 0.691 + 164GLY HA1 2317 1.579 0.959 0.734 + 164GLY HA2 2318 1.535 0.787 0.762 + 164GLY C 2319 1.464 0.870 0.585 + 164GLY O 2320 1.470 0.806 0.478 + 165ALA N 2321 1.362 0.952 0.612 + 165ALA HN 2322 1.359 0.997 0.701 + 165ALA CA 2323 1.245 0.971 0.528 + 165ALA HA 2324 1.198 0.874 0.516 + 165ALA CB 2325 1.148 1.068 0.597 + 165ALA HB1 2326 1.194 1.168 0.608 + 165ALA HB2 2327 1.120 1.029 0.697 + 165ALA HB3 2328 1.054 1.077 0.538 + 165ALA C 2329 1.278 1.020 0.387 + 165ALA O 2330 1.210 0.985 0.290 + 166LYS N 2331 1.387 1.098 0.373 + 166LYS HN 2332 1.443 1.115 0.453 + 166LYS CA 2333 1.437 1.151 0.246 + 166LYS HA 2334 1.357 1.207 0.200 + 166LYS CB 2335 1.559 1.244 0.272 + 166LYS HB1 2336 1.640 1.185 0.320 + 166LYS HB2 2337 1.526 1.322 0.344 + 166LYS CG 2338 1.611 1.313 0.144 + 166LYS HG1 2339 1.523 1.354 0.090 + 166LYS HG2 2340 1.657 1.236 0.077 + 166LYS CD 2341 1.713 1.425 0.170 + 166LYS HD1 2342 1.804 1.380 0.218 + 166LYS HD2 2343 1.667 1.497 0.242 + 166LYS CE 2344 1.754 1.499 0.041 + 166LYS HE1 2345 1.663 1.546 -0.004 + 166LYS HE2 2346 1.797 1.428 -0.032 + 166LYS NZ 2347 1.854 1.606 0.066 + 166LYS HZ1 2348 1.942 1.567 0.106 + 166LYS HZ2 2349 1.818 1.677 0.133 + 166LYS HZ3 2350 1.878 1.656 -0.023 + 166LYS C 2351 1.475 1.042 0.147 + 166LYS O 2352 1.467 1.059 0.025 + 167TYR N 2353 1.520 0.925 0.195 + 167TYR HN 2354 1.526 0.910 0.294 + 167TYR CA 2355 1.554 0.814 0.109 + 167TYR HA 2356 1.541 0.842 0.005 + 167TYR CB 2357 1.701 0.770 0.125 + 167TYR HB1 2358 1.722 0.676 0.069 + 167TYR HB2 2359 1.721 0.752 0.233 + 167TYR CG 2360 1.795 0.877 0.074 + 167TYR CD1 2361 1.851 0.867 -0.054 + 167TYR HD1 2362 1.828 0.783 -0.117 + 167TYR CE1 2363 1.937 0.967 -0.103 + 167TYR HE1 2364 1.980 0.958 -0.202 + 167TYR CZ 2365 1.966 1.079 -0.024 + 167TYR OH 2366 2.051 1.179 -0.075 + 167TYR HH 2367 2.094 1.142 -0.152 + 167TYR CD2 2368 1.829 0.988 0.153 + 167TYR HD2 2369 1.786 0.997 0.252 + 167TYR CE2 2370 1.913 1.089 0.105 + 167TYR HE2 2371 1.938 1.174 0.166 + 167TYR C 2372 1.457 0.699 0.127 + 167TYR O 2373 1.485 0.585 0.090 + 168GLY N 2374 1.336 0.727 0.182 + 168GLY HN 2375 1.316 0.820 0.213 + 168GLY CA 2376 1.225 0.633 0.184 + 168GLY HA1 2377 1.213 0.591 0.086 + 168GLY HA2 2378 1.137 0.687 0.216 + 168GLY C 2379 1.242 0.517 0.278 + 168GLY O 2380 1.198 0.406 0.248 + 169THR N 2381 1.310 0.537 0.392 + 169THR HN 2382 1.347 0.627 0.414 + 169THR CA 2383 1.336 0.429 0.487 + 169THR HA 2384 1.337 0.336 0.432 + 169THR CB 2385 1.470 0.440 0.561 + 169THR HB 2386 1.490 0.345 0.617 + 169THR OG1 2387 1.475 0.547 0.655 + 169THR HG1 2388 1.393 0.540 0.707 + 169THR CG2 2389 1.583 0.459 0.459 + 169THR HG21 2390 1.569 0.553 0.402 + 169THR HG22 2391 1.584 0.374 0.388 + 169THR HG23 2392 1.681 0.465 0.511 + 169THR C 2393 1.226 0.418 0.591 + 169THR O 2394 1.156 0.516 0.621 + 170GLY N 2395 1.214 0.300 0.654 + 170GLY HN 2396 1.261 0.219 0.617 + 170GLY CA 2397 1.136 0.282 0.775 + 170GLY HA1 2398 1.119 0.377 0.823 + 170GLY HA2 2399 1.191 0.213 0.839 + 170GLY C 2400 1.003 0.221 0.750 + 170GLY O 2401 0.918 0.221 0.839 + 171TYR N 2402 0.981 0.165 0.630 + 171TYR HN 2403 1.051 0.165 0.560 + 171TYR CA 2404 0.855 0.104 0.592 + 171TYR HA 2405 0.779 0.180 0.607 + 171TYR CB 2406 0.854 0.067 0.441 + 171TYR HB1 2407 0.935 -0.007 0.421 + 171TYR HB2 2408 0.876 0.158 0.381 + 171TYR CG 2409 0.722 0.011 0.394 + 171TYR CD1 2410 0.605 0.090 0.392 + 171TYR HD1 2411 0.610 0.192 0.426 + 171TYR CE1 2412 0.484 0.038 0.345 + 171TYR HE1 2413 0.395 0.098 0.345 + 171TYR CZ 2414 0.479 -0.094 0.299 + 171TYR OH 2415 0.360 -0.150 0.247 + 171TYR HH 2416 0.359 -0.244 0.274 + 171TYR CD2 2417 0.713 -0.122 0.350 + 171TYR HD2 2418 0.801 -0.184 0.352 + 171TYR CE2 2419 0.592 -0.175 0.303 + 171TYR HE2 2420 0.587 -0.277 0.269 + 171TYR C 2421 0.814 -0.013 0.683 + 171TYR O 2422 0.896 -0.086 0.738 + 172CYS N 2423 0.682 -0.028 0.702 + 172CYS HN 2424 0.614 0.031 0.658 + 172CYS CA 2425 0.626 -0.135 0.779 + 172CYS HA 2426 0.679 -0.227 0.756 + 172CYS CB 2427 0.632 -0.104 0.931 + 172CYS HB1 2428 0.739 -0.097 0.957 + 172CYS HB2 2429 0.589 -0.189 0.987 + 172CYS SG 2430 0.552 0.053 0.980 + 172CYS C 2431 0.485 -0.153 0.731 + 172CYS O 2432 0.425 -0.057 0.682 + 173ASP N 2433 0.430 -0.274 0.743 + 173ASP HN 2434 0.480 -0.351 0.784 + 173ASP CA 2435 0.294 -0.304 0.704 + 173ASP HA 2436 0.231 -0.225 0.745 + 173ASP CB 2437 0.273 -0.303 0.550 + 173ASP HB1 2438 0.316 -0.212 0.506 + 173ASP HB2 2439 0.163 -0.298 0.532 + 173ASP CG 2440 0.320 -0.423 0.469 + 173ASP OD1 2441 0.288 -0.540 0.510 + 173ASP OD2 2442 0.377 -0.402 0.361 + 173ASP C 2443 0.253 -0.430 0.777 + 173ASP O 2444 0.328 -0.486 0.857 + 174SER N 2445 0.128 -0.475 0.756 + 174SER HN 2446 0.071 -0.433 0.684 + 174SER CA 2447 0.067 -0.583 0.831 + 174SER HA 2448 0.097 -0.572 0.934 + 174SER CB 2449 -0.087 -0.572 0.827 + 174SER HB1 2450 -0.116 -0.469 0.859 + 174SER HB2 2451 -0.132 -0.643 0.898 + 174SER OG 2452 -0.140 -0.595 0.696 + 174SER HG1 2453 -0.128 -0.513 0.642 + 174SER C 2454 0.109 -0.723 0.788 + 174SER O 2455 0.090 -0.821 0.862 + 175GLN N 2456 0.176 -0.737 0.672 + 175GLN HN 2457 0.191 -0.658 0.610 + 175GLN CA 2458 0.241 -0.861 0.632 + 175GLN HA 2459 0.177 -0.945 0.658 + 175GLN CB 2460 0.277 -0.863 0.480 + 175GLN HB1 2461 0.323 -0.961 0.456 + 175GLN HB2 2462 0.352 -0.784 0.459 + 175GLN CG 2463 0.159 -0.839 0.385 + 175GLN HG1 2464 0.186 -0.865 0.281 + 175GLN HG2 2465 0.133 -0.731 0.387 + 175GLN CD 2466 0.039 -0.923 0.427 + 175GLN OE1 2467 0.048 -1.046 0.420 + 175GLN NE2 2468 -0.072 -0.857 0.469 + 175GLN HE21 2469 -0.072 -0.756 0.468 + 175GLN HE22 2470 -0.154 -0.905 0.497 + 175GLN C 2471 0.372 -0.878 0.704 + 175GLN O 2472 0.433 -0.985 0.703 + 176CYS N 2473 0.419 -0.768 0.765 + 176CYS HN 2474 0.362 -0.686 0.761 + 176CYS CA 2475 0.548 -0.755 0.827 + 176CYS HA 2476 0.554 -0.652 0.859 + 176CYS CB 2477 0.559 -0.840 0.956 + 176CYS HB1 2478 0.655 -0.817 1.005 + 176CYS HB2 2479 0.558 -0.948 0.929 + 176CYS SG 2480 0.421 -0.809 1.071 + 176CYS C 2481 0.665 -0.779 0.732 + 176CYS O 2482 0.749 -0.865 0.760 + 177PRO N 2483 0.674 -0.706 0.619 + 177PRO CD 2484 0.601 -0.582 0.595 + 177PRO HD1 2485 0.575 -0.526 0.687 + 177PRO HD2 2486 0.508 -0.609 0.540 + 177PRO CA 2487 0.758 -0.737 0.504 + 177PRO HA 2488 0.716 -0.825 0.458 + 177PRO CB 2489 0.745 -0.615 0.411 + 177PRO HB1 2490 0.666 -0.637 0.335 + 177PRO HB2 2491 0.838 -0.587 0.358 + 177PRO CG 2492 0.693 -0.504 0.503 + 177PRO HG1 2493 0.776 -0.461 0.562 + 177PRO HG2 2494 0.639 -0.424 0.448 + 177PRO C 2495 0.902 -0.772 0.535 + 177PRO O 2496 0.974 -0.696 0.599 + 178ARG N 2497 0.946 -0.889 0.484 + 178ARG HN 2498 0.883 -0.946 0.433 + 178ARG CA 2499 1.080 -0.940 0.504 + 178ARG HA 2500 1.128 -0.887 0.585 + 178ARG CB 2501 1.076 -1.092 0.535 + 178ARG HB1 2502 1.180 -1.132 0.539 + 178ARG HB2 2503 1.023 -1.142 0.452 + 178ARG CG 2504 1.006 -1.131 0.667 + 178ARG HG1 2505 0.910 -1.077 0.676 + 178ARG HG2 2506 1.069 -1.099 0.754 + 178ARG CD 2507 0.975 -1.281 0.679 + 178ARG HD1 2508 0.908 -1.312 0.595 + 178ARG HD2 2509 0.924 -1.303 0.776 + 178ARG NE 2510 1.100 -1.361 0.673 + 178ARG HE 2511 1.190 -1.312 0.662 + 178ARG CZ 2512 1.109 -1.491 0.679 + 178ARG NH1 2513 0.994 -1.568 0.691 + 178ARG HH11 2514 0.909 -1.521 0.691 + 178ARG HH12 2515 0.999 -1.666 0.693 + 178ARG NH2 2516 1.219 -1.553 0.675 + 178ARG HH21 2517 1.303 -1.494 0.659 + 178ARG HH22 2518 1.223 -1.651 0.683 + 178ARG C 2519 1.164 -0.921 0.379 + 178ARG O 2520 1.278 -0.964 0.373 + 179ASP N 2521 1.110 -0.853 0.275 + 179ASP HN 2522 1.018 -0.814 0.278 + 179ASP CA 2523 1.181 -0.830 0.152 + 179ASP HA 2524 1.256 -0.906 0.138 + 179ASP CB 2525 1.082 -0.839 0.030 + 179ASP HB1 2526 1.031 -0.937 0.032 + 179ASP HB2 2527 1.142 -0.833 -0.063 + 179ASP CG 2528 0.976 -0.730 0.023 + 179ASP OD1 2529 0.964 -0.647 0.115 + 179ASP OD2 2530 0.901 -0.729 -0.080 + 179ASP C 2531 1.254 -0.696 0.157 + 179ASP O 2532 1.333 -0.661 0.070 + 180LEU N 2533 1.230 -0.617 0.264 + 180LEU HN 2534 1.159 -0.644 0.329 + 180LEU CA 2535 1.297 -0.492 0.288 + 180LEU HA 2536 1.285 -0.433 0.198 + 180LEU CB 2537 1.237 -0.411 0.405 + 180LEU HB1 2538 1.284 -0.310 0.408 + 180LEU HB2 2539 1.260 -0.462 0.501 + 180LEU CG 2540 1.084 -0.392 0.398 + 180LEU HG 2541 1.037 -0.493 0.406 + 180LEU CD1 2542 1.036 -0.309 0.518 + 180LEU HD11 2543 1.082 -0.208 0.518 + 180LEU HD12 2544 1.064 -0.360 0.613 + 180LEU HD13 2545 0.926 -0.298 0.516 + 180LEU CD2 2546 1.038 -0.329 0.266 + 180LEU HD21 2547 1.071 -0.391 0.179 + 180LEU HD22 2548 1.078 -0.226 0.255 + 180LEU HD23 2549 0.927 -0.326 0.262 + 180LEU C 2550 1.446 -0.511 0.309 + 180LEU O 2551 1.492 -0.593 0.387 + 181LYS N 2552 1.526 -0.432 0.235 + 181LYS HN 2553 1.486 -0.368 0.170 + 181LYS CA 2554 1.669 -0.448 0.238 + 181LYS HA 2555 1.691 -0.554 0.248 + 181LYS CB 2556 1.729 -0.403 0.103 + 181LYS HB1 2557 1.838 -0.386 0.111 + 181LYS HB2 2558 1.681 -0.306 0.076 + 181LYS CG 2559 1.704 -0.507 -0.007 + 181LYS HG1 2560 1.596 -0.532 -0.013 + 181LYS HG2 2561 1.757 -0.602 0.021 + 181LYS CD 2562 1.753 -0.464 -0.146 + 181LYS HD1 2563 1.743 -0.553 -0.212 + 181LYS HD2 2564 1.861 -0.438 -0.139 + 181LYS CE 2565 1.673 -0.348 -0.206 + 181LYS HE1 2566 1.687 -0.255 -0.147 + 181LYS HE2 2567 1.564 -0.374 -0.208 + 181LYS NZ 2568 1.714 -0.319 -0.345 + 181LYS HZ1 2569 1.706 -0.403 -0.405 + 181LYS HZ2 2570 1.811 -0.284 -0.346 + 181LYS HZ3 2571 1.651 -0.245 -0.386 + 181LYS C 2572 1.737 -0.384 0.358 + 181LYS O 2573 1.845 -0.424 0.398 + 182PHE N 2574 1.669 -0.286 0.421 + 182PHE HN 2575 1.579 -0.259 0.389 + 182PHE CA 2576 1.717 -0.225 0.543 + 182PHE HA 2577 1.789 -0.290 0.589 + 182PHE CB 2578 1.780 -0.084 0.523 + 182PHE HB1 2579 1.805 -0.038 0.620 + 182PHE HB2 2580 1.709 -0.018 0.469 + 182PHE CG 2581 1.907 -0.095 0.443 + 182PHE CD1 2582 2.030 -0.119 0.507 + 182PHE HD1 2583 2.032 -0.130 0.615 + 182PHE CE1 2584 2.148 -0.131 0.434 + 182PHE HE1 2585 2.241 -0.152 0.484 + 182PHE CZ 2586 2.145 -0.117 0.294 + 182PHE HZ 2587 2.237 -0.127 0.237 + 182PHE CD2 2588 1.906 -0.078 0.304 + 182PHE HD2 2589 1.813 -0.058 0.254 + 182PHE CE2 2590 2.024 -0.090 0.229 + 182PHE HE2 2591 2.021 -0.078 0.122 + 182PHE C 2592 1.604 -0.214 0.643 + 182PHE O 2593 1.500 -0.152 0.615 + 183ILE N 2594 1.621 -0.272 0.762 + 183ILE HN 2595 1.709 -0.317 0.783 + 183ILE CA 2596 1.523 -0.273 0.870 + 183ILE HA 2597 1.448 -0.198 0.850 + 183ILE CB 2598 1.451 -0.407 0.887 + 183ILE HB 2599 1.526 -0.487 0.910 + 183ILE CG2 2600 1.350 -0.398 1.004 + 183ILE HG21 2601 1.275 -0.318 0.985 + 183ILE HG22 2602 1.400 -0.377 1.101 + 183ILE HG23 2603 1.295 -0.494 1.016 + 183ILE CG1 2604 1.379 -0.450 0.756 + 183ILE HG11 2605 1.452 -0.449 0.671 + 183ILE HG12 2606 1.300 -0.375 0.732 + 183ILE CD 2607 1.318 -0.590 0.761 + 183ILE HD1 2608 1.237 -0.596 0.836 + 183ILE HD2 2609 1.395 -0.666 0.786 + 183ILE HD3 2610 1.274 -0.618 0.662 + 183ILE C 2611 1.598 -0.235 0.997 + 183ILE O 2612 1.701 -0.292 1.030 + 184ASN N 2613 1.549 -0.131 1.069 + 184ASN HN 2614 1.464 -0.089 1.041 + 184ASN CA 2615 1.606 -0.084 1.195 + 184ASN HA 2616 1.548 0.003 1.222 + 184ASN CB 2617 1.595 -0.185 1.313 + 184ASN HB1 2618 1.652 -0.149 1.401 + 184ASN HB2 2619 1.637 -0.284 1.283 + 184ASN CG 2620 1.450 -0.201 1.354 + 184ASN OD1 2621 1.355 -0.166 1.286 + 184ASN ND2 2622 1.432 -0.254 1.478 + 184ASN HD21 2623 1.337 -0.268 1.505 + 184ASN HD22 2624 1.512 -0.284 1.529 + 184ASN C 2625 1.748 -0.030 1.185 + 184ASN O 2626 1.829 -0.038 1.276 + 185GLY N 2627 1.779 0.031 1.068 + 185GLY HN 2628 1.712 0.028 0.996 + 185GLY CA 2629 1.909 0.090 1.040 + 185GLY HA1 2630 1.939 0.152 1.123 + 185GLY HA2 2631 1.901 0.145 0.947 + 185GLY C 2632 2.019 -0.011 1.020 + 185GLY O 2633 2.135 0.020 1.029 + 186GLN N 2634 1.979 -0.137 0.991 + 186GLN HN 2635 1.882 -0.160 0.987 + 186GLN CA 2636 2.067 -0.247 0.966 + 186GLN HA 2637 2.169 -0.214 0.955 + 186GLN CB 2638 2.057 -0.356 1.076 + 186GLN HB1 2639 2.137 -0.431 1.055 + 186GLN HB2 2640 1.958 -0.407 1.069 + 186GLN CG 2641 2.076 -0.303 1.219 + 186GLN HG1 2642 1.993 -0.237 1.249 + 186GLN HG2 2643 2.171 -0.245 1.226 + 186GLN CD 2644 2.086 -0.419 1.318 + 186GLN OE1 2645 2.189 -0.439 1.383 + 186GLN NE2 2646 1.978 -0.499 1.330 + 186GLN HE21 2647 1.985 -0.577 1.392 + 186GLN HE22 2648 1.898 -0.481 1.274 + 186GLN C 2649 2.020 -0.308 0.836 + 186GLN O 2650 1.907 -0.280 0.792 + 187ALA N 2651 2.102 -0.389 0.770 + 187ALA HN 2652 2.194 -0.411 0.805 + 187ALA CA 2653 2.059 -0.461 0.652 + 187ALA HA 2654 1.993 -0.397 0.595 + 187ALA CB 2655 2.179 -0.497 0.563 + 187ALA HB1 2656 2.247 -0.567 0.614 + 187ALA HB2 2657 2.235 -0.404 0.539 + 187ALA HB3 2658 2.146 -0.542 0.466 + 187ALA C 2659 1.981 -0.586 0.689 + 187ALA O 2660 1.964 -0.618 0.806 + 188ASN N 2661 1.929 -0.656 0.587 + 188ASN HN 2662 1.937 -0.621 0.495 + 188ASN CA 2663 1.851 -0.777 0.605 + 188ASN HA 2664 1.847 -0.803 0.711 + 188ASN CB 2665 1.709 -0.752 0.549 + 188ASN HB1 2666 1.707 -0.761 0.439 + 188ASN HB2 2667 1.679 -0.648 0.576 + 188ASN CG 2668 1.605 -0.845 0.612 + 188ASN OD1 2669 1.632 -0.923 0.704 + 188ASN ND2 2670 1.480 -0.837 0.561 + 188ASN HD21 2671 1.408 -0.891 0.603 + 188ASN HD22 2672 1.462 -0.771 0.487 + 188ASN C 2673 1.922 -0.892 0.535 + 188ASN O 2674 1.862 -0.993 0.498 + 189VAL N 2675 2.054 -0.878 0.512 + 189VAL HN 2676 2.099 -0.798 0.549 + 189VAL CA 2677 2.140 -0.975 0.444 + 189VAL HA 2678 2.093 -0.995 0.349 + 189VAL CB 2679 2.279 -0.918 0.415 + 189VAL HB 2680 2.266 -0.829 0.349 + 189VAL CG1 2681 2.351 -0.871 0.544 + 189VAL HG11 2682 2.364 -0.955 0.615 + 189VAL HG12 2683 2.295 -0.791 0.595 + 189VAL HG13 2684 2.452 -0.833 0.520 + 189VAL CG2 2685 2.365 -1.021 0.339 + 189VAL HG21 2686 2.309 -1.064 0.254 + 189VAL HG22 2687 2.395 -1.105 0.406 + 189VAL HG23 2688 2.458 -0.973 0.301 + 189VAL C 2689 2.146 -1.109 0.514 + 189VAL O 2690 2.147 -1.215 0.449 + 190GLU N 2691 2.148 -1.113 0.649 + 190GLU HN 2692 2.146 -1.027 0.702 + 190GLU CA 2693 2.143 -1.236 0.724 + 190GLU HA 2694 2.222 -1.299 0.685 + 190GLU CB 2695 2.170 -1.216 0.874 + 190GLU HB1 2696 2.153 -1.312 0.929 + 190GLU HB2 2697 2.096 -1.143 0.913 + 190GLU CG 2698 2.314 -1.169 0.905 + 190GLU HG1 2699 2.338 -1.080 0.844 + 190GLU HG2 2700 2.385 -1.250 0.879 + 190GLU CD 2701 2.331 -1.131 1.052 + 190GLU OE1 2702 2.289 -1.211 1.140 + 190GLU OE2 2703 2.384 -1.020 1.078 + 190GLU C 2704 2.015 -1.314 0.706 + 190GLU O 2705 1.903 -1.267 0.739 + 191GLY N 2706 2.023 -1.436 0.654 + 191GLY HN 2707 2.114 -1.468 0.623 + 191GLY CA 2708 1.908 -1.521 0.627 + 191GLY HA1 2709 1.836 -1.510 0.707 + 191GLY HA2 2710 1.944 -1.621 0.615 + 191GLY C 2711 1.837 -1.486 0.500 + 191GLY O 2712 1.717 -1.513 0.487 + 192TRP N 2713 1.909 -1.428 0.403 + 192TRP HN 2714 2.006 -1.407 0.416 + 192TRP CA 2715 1.853 -1.387 0.276 + 192TRP HA 2716 1.752 -1.354 0.294 + 192TRP CB 2717 1.933 -1.267 0.218 + 192TRP HB1 2718 2.037 -1.300 0.198 + 192TRP HB2 2719 1.938 -1.190 0.299 + 192TRP CG 2720 1.876 -1.202 0.096 + 192TRP CD1 2721 1.905 -1.232 -0.035 + 192TRP HD1 2722 1.971 -1.313 -0.065 + 192TRP NE1 2723 1.835 -1.149 -0.118 + 192TRP HE1 2724 1.835 -1.151 -0.217 + 192TRP CE2 2725 1.758 -1.064 -0.044 + 192TRP CD2 2726 1.782 -1.094 0.093 + 192TRP CE3 2727 1.717 -1.019 0.191 + 192TRP HE3 2728 1.733 -1.040 0.296 + 192TRP CZ3 2729 1.628 -0.918 0.153 + 192TRP HZ3 2730 1.574 -0.862 0.228 + 192TRP CZ2 2731 1.671 -0.963 -0.082 + 192TRP HZ2 2732 1.651 -0.943 -0.186 + 192TRP CH2 2733 1.605 -0.891 0.018 + 192TRP HH2 2734 1.533 -0.814 -0.009 + 192TRP C 2735 1.847 -1.501 0.176 + 192TRP O 2736 1.946 -1.561 0.139 + 193GLU N 2737 1.723 -1.529 0.129 + 193GLU HN 2738 1.645 -1.479 0.165 + 193GLU CA 2739 1.697 -1.627 0.026 + 193GLU HA 2740 1.786 -1.684 0.003 + 193GLU CB 2741 1.588 -1.728 0.071 + 193GLU HB1 2742 1.552 -1.787 -0.016 + 193GLU HB2 2743 1.502 -1.670 0.111 + 193GLU CG 2744 1.635 -1.827 0.181 + 193GLU HG1 2745 1.548 -1.886 0.215 + 193GLU HG2 2746 1.677 -1.770 0.267 + 193GLU CD 2747 1.741 -1.928 0.136 + 193GLU OE1 2748 1.720 -1.990 0.026 + 193GLU OE2 2749 1.835 -1.953 0.213 + 193GLU C 2750 1.649 -1.553 -0.096 + 193GLU O 2751 1.539 -1.490 -0.088 + 194PRO N 2752 1.717 -1.546 -0.208 + 194PRO CD 2753 1.856 -1.594 -0.222 + 194PRO HD1 2754 1.852 -1.705 -0.233 + 194PRO HD2 2755 1.918 -1.565 -0.135 + 194PRO CA 2756 1.666 -1.498 -0.335 + 194PRO HA 2757 1.649 -1.391 -0.323 + 194PRO CB 2758 1.777 -1.528 -0.436 + 194PRO HB1 2759 1.782 -1.452 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-0.619 -0.581 -1.046 + 219ASN C 3085 -0.932 -0.190 -1.097 + 219ASN O 3086 -1.022 -0.138 -1.031 + 220SER N 3087 -0.949 -0.214 -1.228 + 220SER HN 3088 -0.875 -0.250 -1.284 + 220SER CA 3089 -1.076 -0.185 -1.293 + 220SER HA 3090 -1.112 -0.091 -1.254 + 220SER CB 3091 -1.063 -0.170 -1.447 + 220SER HB1 3092 -0.990 -0.088 -1.467 + 220SER HB2 3093 -1.160 -0.139 -1.491 + 220SER OG 3094 -1.016 -0.288 -1.512 + 220SER HG1 3095 -0.925 -0.300 -1.482 + 220SER C 3096 -1.185 -0.287 -1.264 + 220SER O 3097 -1.302 -0.261 -1.294 + 221ILE N 3098 -1.150 -0.404 -1.206 + 221ILE HN 3099 -1.056 -0.420 -1.176 + 221ILE CA 3100 -1.242 -0.514 -1.186 + 221ILE HA 3101 -1.328 -0.502 -1.250 + 221ILE CB 3102 -1.174 -0.647 -1.221 + 221ILE HB 3103 -1.085 -0.662 -1.154 + 221ILE CG2 3104 -1.271 -0.766 -1.195 + 221ILE HG21 3105 -1.367 -0.749 -1.246 + 221ILE HG22 3106 -1.290 -0.778 -1.086 + 221ILE HG23 3107 -1.226 -0.860 -1.232 + 221ILE CG1 3108 -1.121 -0.647 -1.367 + 221ILE HG11 3109 -1.077 -0.747 -1.387 + 221ILE HG12 3110 -1.039 -0.573 -1.376 + 221ILE CD 3111 -1.227 -0.618 -1.474 + 221ILE HD1 3112 -1.270 -0.517 -1.459 + 221ILE HD2 3113 -1.309 -0.693 -1.469 + 221ILE HD3 3114 -1.181 -0.622 -1.575 + 221ILE C 3115 -1.298 -0.516 -1.045 + 221ILE O 3116 -1.418 -0.527 -1.026 + 222SER N 3117 -1.211 -0.500 -0.942 + 222SER HN 3118 -1.113 -0.485 -0.959 + 222SER CA 3119 -1.252 -0.510 -0.803 + 222SER HA 3120 -1.357 -0.487 -0.795 + 222SER CB 3121 -1.227 -0.651 -0.742 + 222SER HB1 3122 -1.255 -0.652 -0.634 + 222SER HB2 3123 -1.120 -0.677 -0.750 + 222SER OG 3124 -1.306 -0.752 -0.806 + 222SER HG1 3125 -1.313 -0.825 -0.742 + 222SER C 3126 -1.180 -0.408 -0.718 + 222SER O 3127 -1.081 -0.347 -0.762 + 223GLU N 3128 -1.231 -0.384 -0.596 + 223GLU HN 3129 -1.310 -0.434 -0.560 + 223GLU CA 3130 -1.177 -0.289 -0.501 + 223GLU HA 3131 -1.070 -0.286 -0.514 + 223GLU CB 3132 -1.236 -0.146 -0.517 + 223GLU HB1 3133 -1.211 -0.116 -0.622 + 223GLU HB2 3134 -1.183 -0.074 -0.450 + 223GLU CG 3135 -1.391 -0.132 -0.501 + 223GLU HG1 3136 -1.439 -0.231 -0.512 + 223GLU HG2 3137 -1.426 -0.069 -0.585 + 223GLU CD 3138 -1.446 -0.064 -0.375 + 223GLU OE1 3139 -1.368 -0.014 -0.287 + 223GLU OE2 3140 -1.569 -0.050 -0.366 + 223GLU C 3141 -1.203 -0.341 -0.361 + 223GLU O 3142 -1.288 -0.428 -0.341 + 224ALA N 3143 -1.126 -0.293 -0.261 + 224ALA HN 3144 -1.055 -0.225 -0.279 + 224ALA CA 3145 -1.139 -0.336 -0.124 + 224ALA HA 3146 -1.243 -0.359 -0.105 + 224ALA CB 3147 -1.053 -0.462 -0.096 + 224ALA HB1 3148 -0.945 -0.441 -0.112 + 224ALA HB2 3149 -1.084 -0.544 -0.164 + 224ALA HB3 3150 -1.067 -0.497 0.009 + 224ALA C 3151 -1.101 -0.224 -0.028 + 224ALA O 3152 -1.028 -0.130 -0.062 + 225LEU N 3153 -1.156 -0.231 0.094 + 225LEU HN 3154 -1.217 -0.308 0.114 + 225LEU CA 3155 -1.133 -0.140 0.204 + 225LEU HA 3156 -1.045 -0.080 0.186 + 225LEU CB 3157 -1.260 -0.051 0.223 + 225LEU HB1 3158 -1.348 -0.120 0.214 + 225LEU HB2 3159 -1.265 0.019 0.137 + 225LEU CG 3160 -1.276 0.027 0.356 + 225LEU HG 3161 -1.271 -0.046 0.440 + 225LEU CD1 3162 -1.166 0.131 0.376 + 225LEU HD11 3163 -1.166 0.206 0.294 + 225LEU HD12 3164 -1.066 0.081 0.376 + 225LEU HD13 3165 -1.178 0.183 0.473 + 225LEU CD2 3166 -1.414 0.094 0.363 + 225LEU HD21 3167 -1.494 0.016 0.355 + 225LEU HD22 3168 -1.426 0.166 0.280 + 225LEU HD23 3169 -1.427 0.146 0.460 + 225LEU C 3170 -1.107 -0.223 0.328 + 225LEU O 3171 -1.197 -0.294 0.374 + 226THR N 3172 -0.985 -0.218 0.384 + 226THR HN 3173 -0.914 -0.159 0.347 + 226THR CA 3174 -0.942 -0.317 0.483 + 226THR HA 3175 -1.028 -0.371 0.521 + 226THR CB 3176 -0.849 -0.423 0.424 + 226THR HB 3177 -0.745 -0.385 0.409 + 226THR OG1 3178 -0.896 -0.469 0.298 + 226THR HG1 3179 -0.824 -0.523 0.263 + 226THR CG2 3180 -0.845 -0.544 0.518 + 226THR HG21 3181 -0.946 -0.585 0.536 + 226THR HG22 3182 -0.798 -0.517 0.614 + 226THR HG23 3183 -0.783 -0.625 0.473 + 226THR C 3184 -0.870 -0.251 0.600 + 226THR O 3185 -0.763 -0.188 0.579 + 227PRO N 3186 -0.914 -0.257 0.724 + 227PRO CD 3187 -1.057 -0.266 0.758 + 227PRO HD1 3188 -1.097 -0.365 0.729 + 227PRO HD2 3189 -1.112 -0.185 0.706 + 227PRO CA 3190 -0.832 -0.221 0.839 + 227PRO HA 3191 -0.758 -0.146 0.813 + 227PRO CB 3192 -0.934 -0.171 0.943 + 227PRO HB1 3193 -0.951 -0.063 0.926 + 227PRO HB2 3194 -0.900 -0.186 1.047 + 227PRO CG 3195 -1.063 -0.248 0.910 + 227PRO HG1 3196 -1.060 -0.348 0.959 + 227PRO HG2 3197 -1.153 -0.193 0.943 + 227PRO C 3198 -0.757 -0.343 0.891 + 227PRO O 3199 -0.813 -0.453 0.895 + 228HSD N 3200 -0.631 -0.325 0.936 + 228HSD HN 3201 -0.586 -0.236 0.927 + 228HSD CA 3202 -0.549 -0.431 0.990 + 228HSD HA 3203 -0.605 -0.524 0.995 + 228HSD CB 3204 -0.426 -0.458 0.900 + 228HSD HB1 3205 -0.357 -0.531 0.948 + 228HSD HB2 3206 -0.371 -0.364 0.881 + 228HSD ND1 3207 -0.461 -0.649 0.739 + 228HSD HD1 3208 -0.425 -0.721 0.798 + 228HSD CG 3209 -0.468 -0.515 0.769 + 228HSD CE1 3210 -0.493 -0.661 0.608 + 228HSD HE1 3211 -0.493 -0.756 0.554 + 228HSD NE2 3212 -0.520 -0.545 0.554 + 228HSD CD2 3213 -0.501 -0.452 0.654 + 228HSD HD2 3214 -0.512 -0.346 0.631 + 228HSD C 3215 -0.495 -0.394 1.128 + 228HSD O 3216 -0.414 -0.301 1.139 + 229PRO N 3217 -0.533 -0.460 1.236 + 229PRO CD 3218 -0.654 -0.543 1.245 + 229PRO HD1 3219 -0.647 -0.631 1.177 + 229PRO HD2 3220 -0.742 -0.481 1.218 + 229PRO CA 3221 -0.476 -0.433 1.367 + 229PRO HA 3222 -0.449 -0.329 1.376 + 229PRO CB 3223 -0.587 -0.476 1.465 + 229PRO HB1 3224 -0.656 -0.390 1.481 + 229PRO HB2 3225 -0.549 -0.509 1.564 + 229PRO CG 3226 -0.662 -0.587 1.391 + 229PRO HG1 3227 -0.607 -0.683 1.401 + 229PRO HG2 3228 -0.766 -0.601 1.426 + 229PRO C 3229 -0.351 -0.515 1.388 + 229PRO O 3230 -0.333 -0.623 1.331 + 230CYS N 3231 -0.261 -0.465 1.472 + 230CYS HN 3232 -0.275 -0.376 1.514 + 230CYS CA 3233 -0.145 -0.539 1.515 + 230CYS HA 3234 -0.159 -0.645 1.497 + 230CYS CB 3235 -0.014 -0.488 1.450 + 230CYS HB1 3236 0.072 -0.548 1.486 + 230CYS HB2 3237 0.003 -0.382 1.480 + 230CYS SG 3238 -0.019 -0.491 1.269 + 230CYS C 3239 -0.138 -0.518 1.664 + 230CYS O 3240 -0.186 -0.417 1.717 + 231THR N 3241 -0.079 -0.613 1.738 + 231THR HN 3242 -0.042 -0.696 1.695 + 231THR CA 3243 -0.064 -0.602 1.883 + 231THR HA 3244 -0.163 -0.586 1.923 + 231THR CB 3245 -0.010 -0.729 1.947 + 231THR HB 3246 -0.002 -0.718 2.058 + 231THR OG1 3247 0.116 -0.766 1.894 + 231THR HG1 3248 0.181 -0.701 1.922 + 231THR CG2 3249 -0.108 -0.845 1.917 + 231THR HG21 3250 -0.112 -0.866 1.808 + 231THR HG22 3251 -0.210 -0.820 1.952 + 231THR HG23 3252 -0.074 -0.937 1.969 + 231THR C 3253 0.019 -0.482 1.925 + 231THR O 3254 -0.013 -0.408 2.019 + 232THR N 3255 0.127 -0.456 1.848 + 232THR HN 3256 0.145 -0.514 1.769 + 232THR CA 3257 0.213 -0.340 1.861 + 232THR HA 3258 0.196 -0.292 1.956 + 232THR CB 3259 0.362 -0.373 1.851 + 232THR HB 3260 0.384 -0.425 1.755 + 232THR OG1 3261 0.400 -0.457 1.959 + 232THR HG1 3262 0.486 -0.498 1.930 + 232THR CG2 3263 0.447 -0.245 1.863 + 232THR HG21 3264 0.424 -0.191 1.957 + 232THR HG22 3265 0.431 -0.178 1.776 + 232THR HG23 3266 0.554 -0.273 1.865 + 232THR C 3267 0.173 -0.246 1.750 + 232THR O 3268 0.177 -0.280 1.632 + 233VAL N 3269 0.123 -0.126 1.786 + 233VAL HN 3270 0.121 -0.101 1.882 + 233VAL CA 3271 0.065 -0.031 1.692 + 233VAL HA 3272 -0.013 -0.082 1.638 + 233VAL CB 3273 0.001 0.086 1.768 + 233VAL HB 3274 0.076 0.131 1.837 + 233VAL CG1 3275 -0.050 0.197 1.673 + 233VAL HG11 3276 -0.116 0.152 1.595 + 233VAL HG12 3277 0.033 0.249 1.621 + 233VAL HG13 3278 -0.109 0.273 1.729 + 233VAL CG2 3279 -0.118 0.031 1.850 + 233VAL HG21 3280 -0.087 -0.048 1.920 + 233VAL HG22 3281 -0.194 -0.013 1.781 + 233VAL HG23 3282 -0.167 0.113 1.907 + 233VAL C 3283 0.162 0.021 1.587 + 233VAL O 3284 0.129 0.026 1.468 + 234GLY N 3285 0.284 0.059 1.628 + 234GLY HN 3286 0.313 0.038 1.722 + 234GLY CA 3287 0.383 0.121 1.542 + 234GLY HA1 3288 0.437 0.190 1.602 + 234GLY HA2 3289 0.335 0.168 1.457 + 234GLY C 3290 0.484 0.025 1.490 + 234GLY O 3291 0.473 -0.095 1.507 + 235GLN N 3292 0.590 0.080 1.427 + 235GLN HN 3293 0.593 0.178 1.410 + 235GLN CA 3294 0.698 0.004 1.369 + 235GLN HA 3295 0.655 -0.063 1.297 + 235GLN CB 3296 0.792 0.101 1.292 + 235GLN HB1 3297 0.843 0.171 1.362 + 235GLN HB2 3298 0.725 0.163 1.227 + 235GLN CG 3299 0.896 0.035 1.197 + 235GLN HG1 3300 0.931 0.112 1.125 + 235GLN HG2 3301 0.844 -0.044 1.139 + 235GLN CD 3302 1.020 -0.023 1.267 + 235GLN OE1 3303 1.085 0.038 1.352 + 235GLN NE2 3304 1.058 -0.145 1.224 + 235GLN HE21 3305 1.144 -0.183 1.263 + 235GLN HE22 3306 1.008 -0.192 1.153 + 235GLN C 3307 0.774 -0.081 1.471 + 235GLN O 3308 0.817 -0.036 1.576 + 236GLU N 3309 0.788 -0.212 1.438 + 236GLU HN 3310 0.746 -0.246 1.354 + 236GLU CA 3311 0.844 -0.312 1.525 + 236GLU HA 3312 0.916 -0.266 1.590 + 236GLU CB 3313 0.731 -0.381 1.608 + 236GLU HB1 3314 0.655 -0.421 1.536 + 236GLU HB2 3315 0.680 -0.301 1.667 + 236GLU CG 3316 0.775 -0.495 1.702 + 236GLU HG1 3317 0.849 -0.458 1.776 + 236GLU HG2 3318 0.820 -0.578 1.645 + 236GLU CD 3319 0.659 -0.555 1.782 + 236GLU OE1 3320 0.566 -0.614 1.720 + 236GLU OE2 3321 0.661 -0.544 1.907 + 236GLU C 3322 0.917 -0.412 1.438 + 236GLU O 3323 0.873 -0.446 1.327 + 237ILE N 3324 1.034 -0.461 1.482 + 237ILE HN 3325 1.068 -0.439 1.573 + 237ILE CA 3326 1.107 -0.565 1.412 + 237ILE HA 3327 1.083 -0.560 1.306 + 237ILE CB 3328 1.258 -0.550 1.426 + 237ILE HB 3329 1.280 -0.444 1.400 + 237ILE CG2 3330 1.303 -0.578 1.571 + 237ILE HG21 3331 1.293 -0.687 1.594 + 237ILE HG22 3332 1.242 -0.522 1.645 + 237ILE HG23 3333 1.410 -0.551 1.585 + 237ILE CG1 3334 1.337 -0.636 1.323 + 237ILE HG11 3335 1.289 -0.623 1.223 + 237ILE HG12 3336 1.329 -0.744 1.350 + 237ILE CD 3337 1.485 -0.597 1.312 + 237ILE HD1 3338 1.538 -0.619 1.407 + 237ILE HD2 3339 1.496 -0.489 1.288 + 237ILE HD3 3340 1.533 -0.656 1.232 + 237ILE C 3341 1.061 -0.701 1.461 + 237ILE O 3342 1.021 -0.718 1.577 + 238CYS N 3343 1.064 -0.801 1.373 + 238CYS HN 3344 1.101 -0.788 1.282 + 238CYS CA 3345 1.015 -0.934 1.403 + 238CYS HA 3346 1.022 -0.953 1.508 + 238CYS CB 3347 0.868 -0.954 1.359 + 238CYS HB1 3348 0.803 -0.908 1.437 + 238CYS HB2 3349 0.842 -1.062 1.355 + 238CYS SG 3350 0.832 -0.873 1.200 + 238CYS HG1 3351 0.845 -0.749 1.247 + 238CYS C 3352 1.107 -1.033 1.336 + 238CYS O 3353 1.184 -0.999 1.248 + 239GLU N 3354 1.101 -1.161 1.383 + 239GLU HN 3355 1.032 -1.189 1.449 + 239GLU CA 3356 1.204 -1.258 1.354 + 239GLU HA 3357 1.285 -1.212 1.299 + 239GLU CB 3358 1.260 -1.318 1.486 + 239GLU HB1 3359 1.340 -1.389 1.458 + 239GLU HB2 3360 1.179 -1.374 1.539 + 239GLU CG 3361 1.320 -1.216 1.585 + 239GLU HG1 3362 1.364 -1.270 1.672 + 239GLU HG2 3363 1.242 -1.146 1.623 + 239GLU CD 3364 1.433 -1.134 1.523 + 239GLU OE1 3365 1.531 -1.199 1.481 + 239GLU OE2 3366 1.424 -1.008 1.527 + 239GLU C 3367 1.152 -1.373 1.271 + 239GLU O 3368 1.051 -1.438 1.306 + 240GLY N 3369 1.222 -1.409 1.162 + 240GLY HN 3370 1.297 -1.349 1.131 + 240GLY CA 3371 1.198 -1.528 1.079 + 240GLY HA1 3372 1.228 -1.613 1.138 + 240GLY HA2 3373 1.258 -1.515 0.990 + 240GLY C 3374 1.056 -1.550 1.035 + 240GLY O 3375 0.987 -1.459 0.992 + 241ASP N 3376 1.004 -1.673 1.048 + 241ASP HN 3377 1.061 -1.751 1.072 + 241ASP CA 3378 0.868 -1.706 1.009 + 241ASP HA 3379 0.837 -1.640 0.929 + 241ASP CB 3380 0.860 -1.852 0.960 + 241ASP HB1 3381 0.757 -1.877 0.929 + 241ASP HB2 3382 0.890 -1.923 1.041 + 241ASP CG 3383 0.955 -1.874 0.842 + 241ASP OD1 3384 0.908 -1.861 0.722 + 241ASP OD2 3385 1.074 -1.891 0.863 + 241ASP C 3386 0.772 -1.679 1.126 + 241ASP O 3387 0.653 -1.714 1.124 + 242GLY N 3388 0.821 -1.610 1.231 + 242GLY HN 3389 0.918 -1.583 1.230 + 242GLY CA 3390 0.743 -1.551 1.338 + 242GLY HA1 3391 0.808 -1.536 1.422 + 242GLY HA2 3392 0.658 -1.615 1.360 + 242GLY C 3393 0.691 -1.416 1.300 + 242GLY O 3394 0.605 -1.361 1.370 + 243CYS N 3395 0.743 -1.357 1.190 + 243CYS HN 3396 0.818 -1.402 1.142 + 243CYS CA 3397 0.693 -1.236 1.127 + 243CYS HA 3398 0.693 -1.157 1.201 + 243CYS CB 3399 0.779 -1.194 1.005 + 243CYS HB1 3400 0.736 -1.102 0.959 + 243CYS HB2 3401 0.774 -1.274 0.928 + 243CYS SG 3402 0.953 -1.162 1.048 + 243CYS HG1 3403 0.986 -1.288 1.071 + 243CYS C 3404 0.550 -1.250 1.079 + 243CYS O 3405 0.468 -1.161 1.097 + 244GLY N 3406 0.518 -1.366 1.019 + 244GLY HN 3407 0.588 -1.437 1.009 + 244GLY CA 3408 0.391 -1.391 0.952 + 244GLY HA1 3409 0.311 -1.356 1.015 + 244GLY HA2 3410 0.387 -1.497 0.932 + 244GLY C 3411 0.379 -1.324 0.819 + 244GLY O 3412 0.478 -1.294 0.752 + 245GLY N 3413 0.253 -1.307 0.775 + 245GLY HN 3414 0.178 -1.341 0.832 + 245GLY CA 3415 0.215 -1.250 0.647 + 245GLY HA1 3416 0.258 -1.151 0.642 + 245GLY HA2 3417 0.107 -1.249 0.642 + 245GLY C 3418 0.264 -1.326 0.527 + 245GLY O 3419 0.295 -1.446 0.531 + 246THR N 3420 0.267 -1.257 0.414 + 246THR HN 3421 0.235 -1.161 0.418 + 246THR CA 3422 0.297 -1.309 0.280 + 246THR HA 3423 0.224 -1.385 0.258 + 246THR CB 3424 0.283 -1.199 0.177 + 246THR HB 3425 0.348 -1.112 0.203 + 246THR OG1 3426 0.147 -1.158 0.175 + 246THR HG1 3427 0.131 -1.100 0.251 + 246THR CG2 3428 0.318 -1.246 0.035 + 246THR HG21 3429 0.257 -1.334 0.007 + 246THR HG22 3430 0.426 -1.271 0.024 + 246THR HG23 3431 0.297 -1.164 -0.038 + 246THR C 3432 0.431 -1.376 0.268 + 246THR O 3433 0.447 -1.479 0.201 + 247TYR N 3434 0.533 -1.321 0.336 + 247TYR HN 3435 0.515 -1.242 0.394 + 247TYR CA 3436 0.671 -1.360 0.322 + 247TYR HA 3437 0.687 -1.403 0.223 + 247TYR CB 3438 0.763 -1.237 0.339 + 247TYR HB1 3439 0.870 -1.265 0.324 + 247TYR HB2 3440 0.752 -1.193 0.441 + 247TYR CG 3441 0.729 -1.131 0.237 + 247TYR CD1 3442 0.780 -1.142 0.107 + 247TYR HD1 3443 0.841 -1.227 0.080 + 247TYR CE1 3444 0.753 -1.044 0.010 + 247TYR HE1 3445 0.794 -1.053 -0.089 + 247TYR CZ 3446 0.673 -0.935 0.043 + 247TYR OH 3447 0.654 -0.837 -0.056 + 247TYR HH 3448 0.743 -0.802 -0.078 + 247TYR CD2 3449 0.648 -1.020 0.269 + 247TYR HD2 3450 0.608 -1.010 0.369 + 247TYR CE2 3451 0.619 -0.923 0.172 + 247TYR HE2 3452 0.557 -0.837 0.196 + 247TYR C 3453 0.714 -1.467 0.422 + 247TYR O 3454 0.831 -1.492 0.440 + 248SER N 3455 0.617 -1.533 0.490 + 248SER HN 3456 0.520 -1.511 0.477 + 248SER CA 3457 0.647 -1.641 0.584 + 248SER HA 3458 0.750 -1.672 0.572 + 248SER CB 3459 0.624 -1.600 0.732 + 248SER HB1 3460 0.653 -1.683 0.800 + 248SER HB2 3461 0.516 -1.577 0.748 + 248SER OG 3462 0.702 -1.484 0.763 + 248SER HG1 3463 0.648 -1.408 0.732 + 248SER C 3464 0.564 -1.763 0.556 + 248SER O 3465 0.455 -1.755 0.495 + 249ASP N 3466 0.610 -1.883 0.595 + 249ASP HN 3467 0.699 -1.891 0.643 + 249ASP CA 3468 0.539 -2.009 0.572 + 249ASP HA 3469 0.515 -2.009 0.467 + 249ASP CB 3470 0.630 -2.134 0.597 + 249ASP HB1 3471 0.729 -2.115 0.550 + 249ASP HB2 3472 0.584 -2.220 0.545 + 249ASP CG 3473 0.654 -2.178 0.742 + 249ASP OD1 3474 0.650 -2.094 0.833 + 249ASP OD2 3475 0.689 -2.299 0.757 + 249ASP C 3476 0.406 -2.017 0.646 + 249ASP O 3477 0.304 -2.067 0.593 + 250ASN N 3478 0.402 -1.966 0.768 + 250ASN HN 3479 0.490 -1.937 0.807 + 250ASN CA 3480 0.285 -1.954 0.851 + 250ASN HA 3481 0.206 -2.014 0.810 + 250ASN CB 3482 0.317 -2.002 0.995 + 250ASN HB1 3483 0.403 -1.944 1.034 + 250ASN HB2 3484 0.347 -2.109 0.991 + 250ASN CG 3485 0.197 -1.987 1.087 + 250ASN OD1 3486 0.084 -1.968 1.044 + 250ASN ND2 3487 0.222 -1.992 1.220 + 250ASN HD21 3488 0.143 -1.975 1.280 + 250ASN HD22 3489 0.316 -1.996 1.251 + 250ASN C 3490 0.241 -1.809 0.848 + 250ASN O 3491 0.299 -1.722 0.909 + 251ARG N 3492 0.131 -1.783 0.773 + 251ARG HN 3493 0.084 -1.858 0.729 + 251ARG CA 3494 0.078 -1.650 0.749 + 251ARG HA 3495 0.159 -1.590 0.710 + 251ARG CB 3496 -0.032 -1.659 0.641 + 251ARG HB1 3497 -0.112 -1.729 0.675 + 251ARG HB2 3498 0.017 -1.703 0.550 + 251ARG CG 3499 -0.096 -1.525 0.601 + 251ARG HG1 3500 -0.015 -1.451 0.583 + 251ARG HG2 3501 -0.157 -1.487 0.687 + 251ARG CD 3502 -0.187 -1.532 0.477 + 251ARG HD1 3503 -0.275 -1.597 0.498 + 251ARG HD2 3504 -0.131 -1.576 0.391 + 251ARG NE 3505 -0.234 -1.395 0.445 + 251ARG HE 3506 -0.325 -1.361 0.482 + 251ARG CZ 3507 -0.176 -1.308 0.363 + 251ARG NH1 3508 -0.065 -1.340 0.295 + 251ARG HH11 3509 -0.025 -1.427 0.308 + 251ARG HH12 3510 -0.025 -1.268 0.237 + 251ARG NH2 3511 -0.227 -1.191 0.347 + 251ARG HH21 3512 -0.308 -1.165 0.402 + 251ARG HH22 3513 -0.184 -1.122 0.288 + 251ARG C 3514 0.030 -1.579 0.875 + 251ARG O 3515 0.052 -1.461 0.895 + 252TYR N 3516 -0.033 -1.654 0.967 + 252TYR HN 3517 -0.043 -1.752 0.955 + 252TYR CA 3518 -0.103 -1.597 1.082 + 252TYR HA 3519 -0.120 -1.491 1.066 + 252TYR CB 3520 -0.240 -1.667 1.101 + 252TYR HB1 3521 -0.301 -1.615 1.178 + 252TYR HB2 3522 -0.227 -1.773 1.132 + 252TYR CG 3523 -0.316 -1.664 0.971 + 252TYR CD1 3524 -0.380 -1.546 0.931 + 252TYR HD1 3525 -0.377 -1.458 0.993 + 252TYR CE1 3526 -0.451 -1.542 0.810 + 252TYR HE1 3527 -0.502 -1.450 0.782 + 252TYR CZ 3528 -0.459 -1.655 0.729 + 252TYR OH 3529 -0.534 -1.650 0.609 + 252TYR HH 3530 -0.569 -1.558 0.599 + 252TYR CD2 3531 -0.323 -1.777 0.888 + 252TYR HD2 3532 -0.273 -1.868 0.918 + 252TYR CE2 3533 -0.393 -1.773 0.767 + 252TYR HE2 3534 -0.399 -1.860 0.703 + 252TYR C 3535 -0.019 -1.611 1.207 + 252TYR O 3536 -0.068 -1.602 1.321 + 253GLY N 3537 0.112 -1.635 1.190 + 253GLY HN 3538 0.146 -1.643 1.096 + 253GLY CA 3539 0.207 -1.653 1.299 + 253GLY HA1 3540 0.299 -1.691 1.255 + 253GLY HA2 3541 0.165 -1.720 1.372 + 253GLY C 3542 0.244 -1.525 1.370 + 253GLY O 3543 0.283 -1.528 1.487 + 254GLY N 3544 0.235 -1.411 1.299 + 254GLY HN 3545 0.195 -1.413 1.207 + 254GLY CA 3546 0.284 -1.282 1.344 + 254GLY HA1 3547 0.292 -1.220 1.256 + 254GLY HA2 3548 0.379 -1.298 1.392 + 254GLY C 3549 0.201 -1.207 1.443 + 254GLY O 3550 0.094 -1.248 1.489 + 255THR N 3551 0.253 -1.088 1.480 + 255THR HN 3552 0.341 -1.057 1.444 + 255THR CA 3553 0.192 -0.992 1.571 + 255THR HA 3554 0.141 -1.046 1.649 + 255THR CB 3555 0.293 -0.897 1.635 + 255THR HB 3556 0.250 -0.797 1.660 + 255THR OG1 3557 0.408 -0.879 1.553 + 255THR HG1 3558 0.453 -0.799 1.586 + 255THR CG2 3559 0.343 -0.960 1.766 + 255THR HG21 3560 0.385 -1.061 1.747 + 255THR HG22 3561 0.259 -0.970 1.838 + 255THR HG23 3562 0.421 -0.896 1.812 + 255THR C 3563 0.086 -0.909 1.501 + 255THR O 3564 -0.003 -0.853 1.566 + 256CYS N 3565 0.093 -0.901 1.368 + 256CYS HN 3566 0.167 -0.947 1.319 + 256CYS CA 3567 -0.007 -0.836 1.285 + 256CYS HA 3568 -0.063 -0.766 1.344 + 256CYS CB 3569 0.057 -0.761 1.166 + 256CYS HB1 3570 -0.019 -0.735 1.089 + 256CYS HB2 3571 0.131 -0.828 1.116 + 256CYS SG 3572 0.138 -0.607 1.215 + 256CYS C 3573 -0.107 -0.935 1.231 + 256CYS O 3574 -0.082 -1.055 1.223 + 257ASP N 3575 -0.225 -0.884 1.195 + 257ASP HN 3576 -0.247 -0.787 1.207 + 257ASP CA 3577 -0.326 -0.955 1.120 + 257ASP HA 3578 -0.320 -1.061 1.140 + 257ASP CB 3579 -0.463 -0.904 1.168 + 257ASP HB1 3580 -0.461 -0.792 1.168 + 257ASP HB2 3581 -0.485 -0.938 1.271 + 257ASP CG 3582 -0.579 -0.944 1.079 + 257ASP OD1 3583 -0.570 -1.052 1.011 + 257ASP OD2 3584 -0.680 -0.874 1.084 + 257ASP C 3585 -0.302 -0.924 0.972 + 257ASP O 3586 -0.303 -0.807 0.938 + 258PRO N 3587 -0.281 -1.020 0.882 + 258PRO CD 3588 -0.249 -1.158 0.917 + 258PRO HD1 3589 -0.340 -1.210 0.955 + 258PRO HD2 3590 -0.168 -1.160 0.994 + 258PRO CA 3591 -0.239 -0.986 0.747 + 258PRO HA 3592 -0.195 -0.887 0.741 + 258PRO CB 3593 -0.140 -1.099 0.714 + 258PRO HB1 3594 -0.041 -1.072 0.754 + 258PRO HB2 3595 -0.130 -1.117 0.604 + 258PRO CG 3596 -0.197 -1.220 0.788 + 258PRO HG1 3597 -0.283 -1.263 0.730 + 258PRO HG2 3598 -0.122 -1.299 0.805 + 258PRO C 3599 -0.356 -0.991 0.652 + 258PRO O 3600 -0.336 -0.962 0.534 + 259ASP N 3601 -0.477 -1.031 0.697 + 259ASP HN 3602 -0.491 -1.055 0.793 + 259ASP CA 3603 -0.591 -1.044 0.609 + 259ASP HA 3604 -0.561 -1.037 0.505 + 259ASP CB 3605 -0.664 -1.180 0.631 + 259ASP HB1 3606 -0.763 -1.177 0.580 + 259ASP HB2 3607 -0.682 -1.195 0.739 + 259ASP CG 3608 -0.587 -1.300 0.576 + 259ASP OD1 3609 -0.470 -1.288 0.530 + 259ASP OD2 3610 -0.643 -1.414 0.581 + 259ASP C 3611 -0.685 -0.926 0.631 + 259ASP O 3612 -0.737 -0.869 0.535 + 260GLY N 3613 -0.702 -0.881 0.758 + 260GLY HN 3614 -0.658 -0.927 0.835 + 260GLY CA 3615 -0.794 -0.775 0.795 + 260GLY HA1 3616 -0.771 -0.688 0.737 + 260GLY HA2 3617 -0.782 -0.757 0.900 + 260GLY C 3618 -0.940 -0.807 0.775 + 260GLY O 3619 -0.980 -0.919 0.743 + 261CYS N 3620 -1.026 -0.707 0.798 + 261CYS HN 3621 -0.990 -0.618 0.823 + 261CYS CA 3622 -1.171 -0.719 0.783 + 261CYS HA 3623 -1.201 -0.823 0.775 + 261CYS CB 3624 -1.240 -0.654 0.907 + 261CYS HB1 3625 -1.199 -0.552 0.920 + 261CYS HB2 3626 -1.209 -0.714 0.995 + 261CYS SG 3627 -1.421 -0.645 0.903 + 261CYS C 3628 -1.208 -0.651 0.653 + 261CYS O 3629 -1.255 -0.538 0.652 + 262ASP N 3630 -1.177 -0.717 0.539 + 262ASP HN 3631 -1.147 -0.812 0.538 + 262ASP CA 3632 -1.191 -0.658 0.408 + 262ASP HA 3633 -1.153 -0.557 0.417 + 262ASP CB 3634 -1.102 -0.725 0.298 + 262ASP HB1 3635 -0.998 -0.725 0.337 + 262ASP HB2 3636 -1.103 -0.662 0.206 + 262ASP CG 3637 -1.134 -0.869 0.260 + 262ASP OD1 3638 -1.126 -0.957 0.347 + 262ASP OD2 3639 -1.159 -0.897 0.139 + 262ASP C 3640 -1.335 -0.640 0.364 + 262ASP O 3641 -1.421 -0.730 0.367 + 263TRP N 3642 -1.371 -0.520 0.319 + 263TRP HN 3643 -1.305 -0.444 0.324 + 263TRP CA 3644 -1.499 -0.496 0.258 + 263TRP HA 3645 -1.566 -0.580 0.274 + 263TRP CB 3646 -1.566 -0.368 0.314 + 263TRP HB1 3647 -1.505 -0.279 0.287 + 263TRP HB2 3648 -1.561 -0.379 0.425 + 263TRP CG 3649 -1.709 -0.347 0.275 + 263TRP CD1 3650 -1.761 -0.331 0.149 + 263TRP HD1 3651 -1.700 -0.327 0.059 + 263TRP NE1 3652 -1.898 -0.321 0.155 + 263TRP HE1 3653 -1.960 -0.314 0.080 + 263TRP CE2 3654 -1.938 -0.330 0.285 + 263TRP CD2 3655 -1.822 -0.344 0.365 + 263TRP CE3 3656 -1.834 -0.352 0.503 + 263TRP HE3 3657 -1.747 -0.365 0.566 + 263TRP CZ3 3658 -1.962 -0.348 0.559 + 263TRP HZ3 3659 -1.973 -0.358 0.667 + 263TRP CZ2 3660 -2.065 -0.328 0.341 + 263TRP HZ2 3661 -2.153 -0.322 0.279 + 263TRP CH2 3662 -2.076 -0.338 0.479 + 263TRP HH2 3663 -2.173 -0.341 0.526 + 263TRP C 3664 -1.475 -0.484 0.109 + 263TRP O 3665 -1.422 -0.384 0.061 + 264ASN N 3666 -1.517 -0.586 0.033 + 264ASN HN 3667 -1.555 -0.667 0.076 + 264ASN CA 3668 -1.509 -0.586 -0.112 + 264ASN HA 3669 -1.471 -0.492 -0.148 + 264ASN CB 3670 -1.408 -0.696 -0.159 + 264ASN HB1 3671 -1.432 -0.791 -0.108 + 264ASN HB2 3672 -1.307 -0.664 -0.125 + 264ASN CG 3673 -1.406 -0.723 -0.310 + 264ASN OD1 3674 -1.499 -0.701 -0.385 + 264ASN ND2 3675 -1.290 -0.779 -0.356 + 264ASN HD21 3676 -1.282 -0.796 -0.454 + 264ASN HD22 3677 -1.214 -0.794 -0.294 + 264ASN C 3678 -1.653 -0.608 -0.159 + 264ASN O 3679 -1.711 -0.711 -0.127 + 265PRO N 3680 -1.718 -0.517 -0.234 + 265PRO CD 3681 -1.673 -0.378 -0.247 + 265PRO HD1 3682 -1.603 -0.371 -0.333 + 265PRO HD2 3683 -1.621 -0.340 -0.156 + 265PRO CA 3684 -1.861 -0.530 -0.261 + 265PRO HA 3685 -1.912 -0.543 -0.167 + 265PRO CB 3686 -1.896 -0.399 -0.333 + 265PRO HB1 3687 -2.003 -0.372 -0.320 + 265PRO HB2 3688 -1.873 -0.407 -0.442 + 265PRO CG 3689 -1.801 -0.296 -0.272 + 265PRO HG1 3690 -1.781 -0.210 -0.339 + 265PRO HG2 3691 -1.840 -0.259 -0.175 + 265PRO C 3692 -1.895 -0.650 -0.349 + 265PRO O 3693 -2.003 -0.706 -0.332 + 266TYR N 3694 -1.806 -0.689 -0.442 + 266TYR HN 3695 -1.719 -0.638 -0.452 + 266TYR CA 3696 -1.822 -0.808 -0.525 + 266TYR HA 3697 -1.917 -0.799 -0.576 + 266TYR CB 3698 -1.707 -0.818 -0.629 + 266TYR HB1 3699 -1.612 -0.854 -0.582 + 266TYR HB2 3700 -1.686 -0.717 -0.668 + 266TYR CG 3701 -1.742 -0.909 -0.745 + 266TYR CD1 3702 -1.738 -1.050 -0.734 + 266TYR HD1 3703 -1.712 -1.095 -0.640 + 266TYR CE1 3704 -1.766 -1.131 -0.845 + 266TYR HE1 3705 -1.765 -1.238 -0.835 + 266TYR CZ 3706 -1.795 -1.073 -0.969 + 266TYR OH 3707 -1.820 -1.155 -1.081 + 266TYR HH 3708 -1.823 -1.245 -1.048 + 266TYR CD2 3709 -1.773 -0.853 -0.870 + 266TYR HD2 3710 -1.776 -0.746 -0.880 + 266TYR CE2 3711 -1.799 -0.934 -0.982 + 266TYR HE2 3712 -1.822 -0.889 -1.077 + 266TYR C 3713 -1.826 -0.933 -0.439 + 266TYR O 3714 -1.910 -1.021 -0.456 + 267ARG N 3715 -1.735 -0.940 -0.339 + 267ARG HN 3716 -1.675 -0.861 -0.324 + 267ARG CA 3717 -1.716 -1.053 -0.250 + 267ARG HA 3718 -1.708 -1.142 -0.309 + 267ARG CB 3719 -1.586 -1.030 -0.168 + 267ARG HB1 3720 -1.601 -0.945 -0.097 + 267ARG HB2 3721 -1.506 -1.000 -0.239 + 267ARG CG 3722 -1.536 -1.153 -0.089 + 267ARG HG1 3723 -1.519 -1.235 -0.161 + 267ARG HG2 3724 -1.615 -1.185 -0.018 + 267ARG CD 3725 -1.407 -1.126 -0.007 + 267ARG HD1 3726 -1.427 -1.050 0.072 + 267ARG HD2 3727 -1.325 -1.089 -0.073 + 267ARG NE 3728 -1.367 -1.258 0.051 + 267ARG HE 3729 -1.383 -1.342 0.002 + 267ARG CZ 3730 -1.310 -1.269 0.173 + 267ARG NH1 3731 -1.277 -1.171 0.248 + 267ARG HH11 3732 -1.240 -1.178 0.343 + 267ARG HH12 3733 -1.274 -1.073 0.222 + 267ARG NH2 3734 -1.290 -1.393 0.216 + 267ARG HH21 3735 -1.321 -1.469 0.164 + 267ARG HH22 3736 -1.247 -1.400 0.307 + 267ARG C 3737 -1.836 -1.071 -0.156 + 267ARG O 3738 -1.869 -1.181 -0.113 + 268LEU N 3739 -1.909 -0.961 -0.132 + 268LEU HN 3740 -1.878 -0.873 -0.167 + 268LEU CA 3741 -2.027 -0.958 -0.048 + 268LEU HA 3742 -2.025 -1.041 0.021 + 268LEU CB 3743 -2.028 -0.826 0.033 + 268LEU HB1 3744 -2.122 -0.816 0.090 + 268LEU HB2 3745 -2.022 -0.740 -0.038 + 268LEU CG 3746 -1.910 -0.816 0.132 + 268LEU HG 3747 -1.815 -0.837 0.079 + 268LEU CD1 3748 -1.897 -0.674 0.189 + 268LEU HD11 3749 -1.983 -0.647 0.253 + 268LEU HD12 3750 -1.889 -0.600 0.106 + 268LEU HD13 3751 -1.805 -0.665 0.250 + 268LEU CD2 3752 -1.924 -0.919 0.246 + 268LEU HD21 3753 -1.924 -1.022 0.207 + 268LEU HD22 3754 -2.017 -0.902 0.303 + 268LEU HD23 3755 -1.838 -0.910 0.316 + 268LEU C 3756 -2.155 -0.974 -0.129 + 268LEU O 3757 -2.266 -0.977 -0.078 + 269GLY N 3758 -2.141 -0.995 -0.262 + 269GLY HN 3759 -2.049 -0.986 -0.303 + 269GLY CA 3760 -2.247 -1.045 -0.348 + 269GLY HA1 3761 -2.328 -1.084 -0.288 + 269GLY HA2 3762 -2.203 -1.122 -0.411 + 269GLY C 3763 -2.308 -0.944 -0.440 + 269GLY O 3764 -2.398 -0.975 -0.516 + 270ASN N 3765 -2.261 -0.817 -0.437 + 270ASN HN 3766 -2.186 -0.792 -0.376 + 270ASN CA 3767 -2.308 -0.717 -0.530 + 270ASN HA 3768 -2.403 -0.749 -0.572 + 270ASN CB 3769 -2.332 -0.580 -0.461 + 270ASN HB1 3770 -2.234 -0.535 -0.432 + 270ASN HB2 3771 -2.391 -0.598 -0.368 + 270ASN CG 3772 -2.409 -0.484 -0.551 + 270ASN OD1 3773 -2.439 -0.510 -0.667 + 270ASN ND2 3774 -2.449 -0.368 -0.492 + 270ASN HD21 3775 -2.493 -0.300 -0.553 + 270ASN HD22 3776 -2.421 -0.349 -0.400 + 270ASN C 3777 -2.210 -0.706 -0.646 + 270ASN O 3778 -2.110 -0.635 -0.642 + 271THR N 3779 -2.240 -0.775 -0.757 + 271THR HN 3780 -2.321 -0.832 -0.762 + 271THR CA 3781 -2.145 -0.793 -0.867 + 271THR HA 3782 -2.044 -0.781 -0.831 + 271THR CB 3783 -2.160 -0.931 -0.929 + 271THR HB 3784 -2.089 -0.945 -1.014 + 271THR OG1 3785 -2.294 -0.955 -0.971 + 271THR HG1 3786 -2.312 -0.892 -1.041 + 271THR CG2 3787 -2.127 -1.036 -0.822 + 271THR HG21 3788 -2.202 -1.037 -0.741 + 271THR HG22 3789 -2.027 -1.017 -0.777 + 271THR HG23 3790 -2.126 -1.136 -0.870 + 271THR C 3791 -2.169 -0.691 -0.975 + 271THR O 3792 -2.109 -0.696 -1.084 + 272SER N 3793 -2.262 -0.597 -0.952 + 272SER HN 3794 -2.312 -0.600 -0.866 + 272SER CA 3795 -2.297 -0.494 -1.048 + 272SER HA 3796 -2.242 -0.506 -1.140 + 272SER CB 3797 -2.449 -0.496 -1.082 + 272SER HB1 3798 -2.475 -0.414 -1.151 + 272SER HB2 3799 -2.508 -0.482 -0.988 + 272SER OG 3800 -2.485 -0.621 -1.142 + 272SER HG1 3801 -2.434 -0.627 -1.224 + 272SER C 3802 -2.262 -0.357 -0.995 + 272SER O 3803 -2.286 -0.256 -1.061 + 273PHE N 3804 -2.204 -0.347 -0.873 + 273PHE HN 3805 -2.183 -0.429 -0.820 + 273PHE CA 3806 -2.165 -0.219 -0.817 + 273PHE HA 3807 -2.250 -0.153 -0.830 + 273PHE CB 3808 -2.136 -0.231 -0.665 + 273PHE HB1 3809 -2.051 -0.301 -0.646 + 273PHE HB2 3810 -2.225 -0.271 -0.613 + 273PHE CG 3811 -2.104 -0.097 -0.604 + 273PHE CD1 3812 -2.200 0.006 -0.609 + 273PHE HD1 3813 -2.296 -0.013 -0.655 + 273PHE CE1 3814 -2.172 0.132 -0.555 + 273PHE HE1 3815 -2.246 0.211 -0.560 + 273PHE CZ 3816 -2.049 0.156 -0.494 + 273PHE HZ 3817 -2.027 0.253 -0.453 + 273PHE CD2 3818 -1.980 -0.071 -0.543 + 273PHE HD2 3819 -1.905 -0.149 -0.539 + 273PHE CE2 3820 -1.952 0.054 -0.488 + 273PHE HE2 3821 -1.856 0.072 -0.442 + 273PHE C 3822 -2.049 -0.152 -0.890 + 273PHE O 3823 -2.050 -0.032 -0.918 + 274TYR N 3824 -1.945 -0.229 -0.924 + 274TYR HN 3825 -1.947 -0.328 -0.913 + 274TYR CA 3826 -1.818 -0.172 -0.962 + 274TYR HA 3827 -1.831 -0.073 -1.003 + 274TYR CB 3828 -1.726 -0.168 -0.837 + 274TYR HB1 3829 -1.714 -0.270 -0.795 + 274TYR HB2 3830 -1.776 -0.107 -0.758 + 274TYR CG 3831 -1.589 -0.111 -0.860 + 274TYR CD1 3832 -1.566 0.026 -0.839 + 274TYR HD1 3833 -1.648 0.090 -0.811 + 274TYR CE1 3834 -1.436 0.079 -0.846 + 274TYR HE1 3835 -1.419 0.184 -0.827 + 274TYR CZ 3836 -1.328 -0.005 -0.875 + 274TYR OH 3837 -1.198 0.046 -0.882 + 274TYR HH 3838 -1.139 -0.028 -0.900 + 274TYR CD2 3839 -1.479 -0.194 -0.891 + 274TYR HD2 3840 -1.494 -0.300 -0.905 + 274TYR CE2 3841 -1.350 -0.141 -0.899 + 274TYR HE2 3842 -1.266 -0.206 -0.921 + 274TYR C 3843 -1.761 -0.259 -1.071 + 274TYR O 3844 -1.764 -0.382 -1.061 + 275GLY N 3845 -1.711 -0.197 -1.179 + 275GLY HN 3846 -1.716 -0.098 -1.189 + 275GLY CA 3847 -1.655 -0.271 -1.291 + 275GLY HA1 3848 -1.710 -0.362 -1.306 + 275GLY HA2 3849 -1.550 -0.285 -1.268 + 275GLY C 3850 -1.664 -0.189 -1.418 + 275GLY O 3851 -1.712 -0.078 -1.416 + 276PRO N 3852 -1.617 -0.241 -1.531 + 276PRO CD 3853 -1.539 -0.365 -1.541 + 276PRO HD1 3854 -1.602 -0.441 -1.591 + 276PRO HD2 3855 -1.503 -0.405 -1.443 + 276PRO CA 3856 -1.594 -0.154 -1.647 + 276PRO HA 3857 -1.567 -0.055 -1.614 + 276PRO CB 3858 -1.478 -0.221 -1.724 + 276PRO HB1 3859 -1.401 -0.146 -1.752 + 276PRO HB2 3860 -1.512 -0.274 -1.815 + 276PRO CG 3861 -1.420 -0.326 -1.628 + 276PRO HG1 3862 -1.375 -0.412 -1.680 + 276PRO HG2 3863 -1.342 -0.278 -1.564 + 276PRO C 3864 -1.715 -0.144 -1.736 + 276PRO O 3865 -1.763 -0.245 -1.788 + 277GLY N 3866 -1.763 -0.021 -1.764 + 277GLY HN 3867 -1.726 0.062 -1.719 + 277GLY CA 3868 -1.875 0.002 -1.853 + 277GLY HA1 3869 -1.904 -0.090 -1.903 + 277GLY HA2 3870 -1.846 0.080 -1.922 + 277GLY C 3871 -1.995 0.051 -1.779 + 277GLY O 3872 -2.002 0.056 -1.656 + 278SER N 3873 -2.100 0.085 -1.854 + 278SER HN 3874 -2.098 0.075 -1.954 + 278SER CA 3875 -2.218 0.150 -1.800 + 278SER HA 3876 -2.191 0.208 -1.714 + 278SER CB 3877 -2.279 0.245 -1.906 + 278SER HB1 3878 -2.204 0.325 -1.925 + 278SER HB2 3879 -2.372 0.293 -1.869 + 278SER OG 3880 -2.303 0.176 -2.029 + 278SER HG1 3881 -2.379 0.119 -2.014 + 278SER C 3882 -2.323 0.049 -1.755 + 278SER O 3883 -2.439 0.081 -1.734 + 279SER N 3884 -2.280 -0.076 -1.735 + 279SER HN 3885 -2.186 -0.101 -1.758 + 279SER CA 3886 -2.357 -0.184 -1.678 + 279SER HA 3887 -2.463 -0.166 -1.692 + 279SER CB 3888 -2.316 -0.318 -1.745 + 279SER HB1 3889 -2.357 -0.319 -1.848 + 279SER HB2 3890 -2.359 -0.406 -1.691 + 279SER OG 3891 -2.174 -0.331 -1.753 + 279SER HG1 3892 -2.141 -0.359 -1.666 + 279SER C 3893 -2.333 -0.196 -1.530 + 279SER O 3894 -2.394 -0.279 -1.463 + 280PHE N 3895 -2.244 -0.109 -1.477 + 280PHE HN 3896 -2.199 -0.042 -1.535 + 280PHE CA 3897 -2.204 -0.105 -1.339 + 280PHE HA 3898 -2.258 -0.180 -1.283 + 280PHE CB 3899 -2.052 -0.127 -1.321 + 280PHE HB1 3900 -2.022 -0.119 -1.214 + 280PHE HB2 3901 -1.993 -0.051 -1.379 + 280PHE CG 3902 -2.015 -0.264 -1.371 + 280PHE CD1 3903 -2.010 -0.373 -1.283 + 280PHE HD1 3904 -2.034 -0.358 -1.179 + 280PHE CE1 3905 -1.970 -0.500 -1.327 + 280PHE HE1 3906 -1.963 -0.581 -1.257 + 280PHE CZ 3907 -1.935 -0.518 -1.462 + 280PHE HZ 3908 -1.903 -0.615 -1.496 + 280PHE CD2 3909 -1.978 -0.284 -1.505 + 280PHE HD2 3910 -1.977 -0.200 -1.573 + 280PHE CE2 3911 -1.939 -0.411 -1.551 + 280PHE HE2 3912 -1.911 -0.424 -1.654 + 280PHE C 3913 -2.243 0.029 -1.280 + 280PHE O 3914 -2.253 0.131 -1.350 + 281THR N 3915 -2.274 0.031 -1.150 + 281THR HN 3916 -2.271 -0.055 -1.097 + 281THR CA 3917 -2.312 0.150 -1.075 + 281THR HA 3918 -2.397 0.194 -1.124 + 281THR CB 3919 -2.349 0.117 -0.931 + 281THR HB 3920 -2.259 0.086 -0.873 + 281THR OG1 3921 -2.442 0.009 -0.925 + 281THR HG1 3922 -2.513 0.028 -0.989 + 281THR CG2 3923 -2.415 0.236 -0.861 + 281THR HG21 3924 -2.502 0.272 -0.919 + 281THR HG22 3925 -2.342 0.320 -0.850 + 281THR HG23 3926 -2.448 0.207 -0.759 + 281THR C 3927 -2.202 0.256 -1.075 + 281THR O 3928 -2.227 0.373 -1.100 + 282LEU N 3929 -2.077 0.212 -1.056 + 282LEU HN 3930 -2.061 0.116 -1.031 + 282LEU CA 3931 -1.958 0.292 -1.073 + 282LEU HA 3932 -1.983 0.394 -1.096 + 282LEU CB 3933 -1.867 0.287 -0.947 + 282LEU HB1 3934 -1.774 0.345 -0.965 + 282LEU HB2 3935 -1.838 0.181 -0.928 + 282LEU CG 3936 -1.930 0.343 -0.818 + 282LEU HG 3937 -2.024 0.287 -0.797 + 282LEU CD1 3938 -1.835 0.319 -0.700 + 282LEU HD11 3939 -1.739 0.372 -0.715 + 282LEU HD12 3940 -1.813 0.210 -0.689 + 282LEU HD13 3941 -1.881 0.354 -0.606 + 282LEU CD2 3942 -1.962 0.493 -0.830 + 282LEU HD21 3943 -2.039 0.510 -0.907 + 282LEU HD22 3944 -1.870 0.549 -0.856 + 282LEU HD23 3945 -1.999 0.530 -0.732 + 282LEU C 3946 -1.882 0.234 -1.191 + 282LEU O 3947 -1.841 0.118 -1.192 + 283ASP N 3948 -1.862 0.316 -1.296 + 283ASP HN 3949 -1.889 0.413 -1.291 + 283ASP CA 3950 -1.801 0.276 -1.421 + 283ASP HA 3951 -1.816 0.169 -1.436 + 283ASP CB 3952 -1.869 0.355 -1.536 + 283ASP HB1 3953 -1.863 0.463 -1.512 + 283ASP HB2 3954 -1.977 0.326 -1.538 + 283ASP CG 3955 -1.814 0.336 -1.676 + 283ASP OD1 3956 -1.707 0.270 -1.696 + 283ASP OD2 3957 -1.874 0.395 -1.768 + 283ASP C 3958 -1.651 0.301 -1.410 + 283ASP O 3959 -1.608 0.414 -1.386 + 284THR N 3960 -1.567 0.198 -1.424 + 284THR HN 3961 -1.602 0.105 -1.442 + 284THR CA 3962 -1.424 0.208 -1.395 + 284THR HA 3963 -1.408 0.284 -1.321 + 284THR CB 3964 -1.364 0.078 -1.342 + 284THR HB 3965 -1.255 0.087 -1.326 + 284THR OG1 3966 -1.388 -0.031 -1.430 + 284THR HG1 3967 -1.358 -0.110 -1.383 + 284THR CG2 3968 -1.430 0.044 -1.208 + 284THR HG21 3969 -1.541 0.041 -1.216 + 284THR HG22 3970 -1.402 0.119 -1.131 + 284THR HG23 3971 -1.396 -0.055 -1.171 + 284THR C 3972 -1.345 0.251 -1.517 + 284THR O 3973 -1.222 0.257 -1.515 + 285THR N 3974 -1.415 0.292 -1.625 + 285THR HN 3975 -1.515 0.283 -1.625 + 285THR CA 3976 -1.352 0.351 -1.742 + 285THR HA 3977 -1.251 0.316 -1.750 + 285THR CB 3978 -1.424 0.315 -1.873 + 285THR HB 3979 -1.363 0.352 -1.959 + 285THR OG1 3980 -1.556 0.371 -1.885 + 285THR HG1 3981 -1.610 0.327 -1.816 + 285THR CG2 3982 -1.435 0.162 -1.884 + 285THR HG21 3983 -1.501 0.121 -1.805 + 285THR HG22 3984 -1.335 0.115 -1.874 + 285THR HG23 3985 -1.478 0.134 -1.983 + 285THR C 3986 -1.348 0.502 -1.727 + 285THR O 3987 -1.300 0.574 -1.815 + 286LYS N 3988 -1.396 0.552 -1.612 + 286LYS HN 3989 -1.428 0.488 -1.541 + 286LYS CA 3990 -1.410 0.691 -1.580 + 286LYS HA 3991 -1.352 0.751 -1.648 + 286LYS CB 3992 -1.560 0.733 -1.583 + 286LYS HB1 3993 -1.571 0.839 -1.551 + 286LYS HB2 3994 -1.615 0.669 -1.510 + 286LYS CG 3995 -1.625 0.715 -1.722 + 286LYS HG1 3996 -1.603 0.611 -1.757 + 286LYS HG2 3997 -1.578 0.786 -1.793 + 286LYS CD 3998 -1.778 0.733 -1.720 + 286LYS HD1 3999 -1.801 0.832 -1.676 + 286LYS HD2 4000 -1.822 0.655 -1.652 + 286LYS CE 4001 -1.844 0.722 -1.859 + 286LYS HE1 4002 -1.806 0.804 -1.924 + 286LYS HE2 4003 -1.954 0.732 -1.849 + 286LYS NZ 4004 -1.814 0.592 -1.923 + 286LYS HZ1 4005 -1.847 0.514 -1.859 + 286LYS HZ2 4006 -1.712 0.575 -1.934 + 286LYS HZ3 4007 -1.864 0.578 -2.013 + 286LYS C 4008 -1.356 0.711 -1.440 + 286LYS O 4009 -1.362 0.624 -1.355 + 287LYS N 4010 -1.299 0.832 -1.414 + 287LYS HN 4011 -1.289 0.898 -1.487 + 287LYS CA 4012 -1.253 0.872 -1.283 + 287LYS HA 4013 -1.184 0.796 -1.248 + 287LYS CB 4014 -1.179 1.009 -1.293 + 287LYS HB1 4015 -1.253 1.089 -1.313 + 287LYS HB2 4016 -1.110 1.002 -1.380 + 287LYS CG 4017 -1.093 1.046 -1.170 + 287LYS HG1 4018 -1.015 0.967 -1.159 + 287LYS HG2 4019 -1.155 1.044 -1.078 + 287LYS CD 4020 -1.021 1.182 -1.180 + 287LYS HD1 4021 -0.957 1.182 -1.271 + 287LYS HD2 4022 -0.954 1.189 -1.092 + 287LYS CE 4023 -1.117 1.302 -1.184 + 287LYS HE1 4024 -1.196 1.291 -1.107 + 287LYS HE2 4025 -1.163 1.311 -1.284 + 287LYS NZ 4026 -1.044 1.427 -1.154 + 287LYS HZ1 4027 -0.953 1.427 -1.205 + 287LYS HZ2 4028 -1.030 1.433 -1.050 + 287LYS HZ3 4029 -1.100 1.509 -1.186 + 287LYS C 4030 -1.368 0.878 -1.182 + 287LYS O 4031 -1.481 0.911 -1.214 + 288LEU N 4032 -1.339 0.844 -1.055 + 288LEU HN 4033 -1.247 0.813 -1.029 + 288LEU CA 4034 -1.436 0.847 -0.949 + 288LEU HA 4035 -1.517 0.913 -0.975 + 288LEU CB 4036 -1.494 0.707 -0.913 + 288LEU HB1 4037 -1.548 0.667 -1.001 + 288LEU HB2 4038 -1.570 0.720 -0.832 + 288LEU CG 4039 -1.394 0.599 -0.865 + 288LEU HG 4040 -1.320 0.644 -0.794 + 288LEU CD1 4041 -1.469 0.490 -0.787 + 288LEU HD11 4042 -1.545 0.441 -0.851 + 288LEU HD12 4043 -1.520 0.534 -0.698 + 288LEU HD13 4044 -1.398 0.412 -0.751 + 288LEU CD2 4045 -1.316 0.535 -0.981 + 288LEU HD21 4046 -1.243 0.606 -1.025 + 288LEU HD22 4047 -1.385 0.503 -1.061 + 288LEU HD23 4048 -1.259 0.446 -0.946 + 288LEU C 4049 -1.370 0.907 -0.827 + 288LEU O 4050 -1.247 0.914 -0.817 + 289THR N 4051 -1.452 0.954 -0.733 + 289THR HN 4052 -1.551 0.954 -0.748 + 289THR CA 4053 -1.408 1.009 -0.607 + 289THR HA 4054 -1.301 1.020 -0.605 + 289THR CB 4055 -1.474 1.143 -0.574 + 289THR HB 4056 -1.583 1.127 -0.558 + 289THR OG1 4057 -1.457 1.236 -0.680 + 289THR HG1 4058 -1.361 1.256 -0.681 + 289THR CG2 4059 -1.413 1.208 -0.449 + 289THR HG21 4060 -1.304 1.222 -0.464 + 289THR HG22 4061 -1.429 1.146 -0.358 + 289THR HG23 4062 -1.460 1.307 -0.432 + 289THR C 4063 -1.447 0.908 -0.501 + 289THR O 4064 -1.555 0.853 -0.503 + 290VAL N 4065 -1.355 0.883 -0.406 + 290VAL HN 4066 -1.267 0.931 -0.407 + 290VAL CA 4067 -1.370 0.783 -0.302 + 290VAL HA 4068 -1.469 0.740 -0.304 + 290VAL CB 4069 -1.265 0.673 -0.316 + 290VAL HB 4070 -1.163 0.717 -0.307 + 290VAL CG1 4071 -1.284 0.566 -0.207 + 290VAL HG11 4072 -1.385 0.521 -0.213 + 290VAL HG12 4073 -1.268 0.607 -0.105 + 290VAL HG13 4074 -1.210 0.484 -0.222 + 290VAL CG2 4075 -1.275 0.608 -0.456 + 290VAL HG21 4076 -1.251 0.681 -0.536 + 290VAL HG22 4077 -1.376 0.568 -0.474 + 290VAL HG23 4078 -1.202 0.525 -0.464 + 290VAL C 4079 -1.353 0.857 -0.171 + 290VAL O 4080 -1.252 0.926 -0.150 + 291VAL N 4081 -1.452 0.850 -0.080 + 291VAL HN 4082 -1.535 0.797 -0.097 + 291VAL CA 4083 -1.448 0.921 0.046 + 291VAL HA 4084 -1.352 0.970 0.059 + 291VAL CB 4085 -1.557 1.027 0.060 + 291VAL HB 4086 -1.657 0.979 0.062 + 291VAL CG1 4087 -1.536 1.108 0.190 + 291VAL HG11 4088 -1.433 1.151 0.194 + 291VAL HG12 4089 -1.550 1.045 0.280 + 291VAL HG13 4090 -1.608 1.192 0.196 + 291VAL CG2 4091 -1.552 1.121 -0.063 + 291VAL HG21 4092 -1.582 1.066 -0.155 + 291VAL HG22 4093 -1.450 1.161 -0.077 + 291VAL HG23 4094 -1.622 1.206 -0.049 + 291VAL C 4095 -1.464 0.820 0.157 + 291VAL O 4096 -1.556 0.741 0.161 + 292THR N 4097 -1.368 0.820 0.252 + 292THR HN 4098 -1.295 0.888 0.250 + 292THR CA 4099 -1.365 0.722 0.361 + 292THR HA 4100 -1.453 0.659 0.358 + 292THR CB 4101 -1.242 0.634 0.356 + 292THR HB 4102 -1.150 0.691 0.383 + 292THR OG1 4103 -1.226 0.583 0.224 + 292THR HG1 4104 -1.208 0.662 0.170 + 292THR CG2 4105 -1.257 0.513 0.449 + 292THR HG21 4106 -1.347 0.453 0.423 + 292THR HG22 4107 -1.265 0.545 0.555 + 292THR HG23 4108 -1.168 0.447 0.440 + 292THR C 4109 -1.369 0.800 0.488 + 292THR O 4110 -1.290 0.895 0.506 + 293GLN N 4111 -1.462 0.769 0.579 + 293GLN HN 4112 -1.520 0.688 0.566 + 293GLN CA 4113 -1.489 0.848 0.698 + 293GLN HA 4114 -1.423 0.933 0.703 + 293GLN CB 4115 -1.638 0.894 0.702 + 293GLN HB1 4116 -1.651 0.964 0.787 + 293GLN HB2 4117 -1.702 0.805 0.721 + 293GLN CG 4118 -1.687 0.961 0.571 + 293GLN HG1 4119 -1.675 0.891 0.485 + 293GLN HG2 4120 -1.627 1.051 0.550 + 293GLN CD 4121 -1.836 0.998 0.576 + 293GLN OE1 4122 -1.926 0.913 0.581 + 293GLN NE2 4123 -1.865 1.130 0.574 + 293GLN HE21 4124 -1.789 1.196 0.567 + 293GLN HE22 4125 -1.959 1.158 0.593 + 293GLN C 4126 -1.464 0.758 0.818 + 293GLN O 4127 -1.510 0.647 0.823 + 294PHE N 4128 -1.387 0.810 0.918 + 294PHE HN 4129 -1.347 0.901 0.913 + 294PHE CA 4130 -1.354 0.732 1.036 + 294PHE HA 4131 -1.389 0.630 1.028 + 294PHE CB 4132 -1.202 0.734 1.063 + 294PHE HB1 4133 -1.177 0.682 1.158 + 294PHE HB2 4134 -1.166 0.839 1.069 + 294PHE CG 4135 -1.127 0.669 0.951 + 294PHE CD1 4136 -1.088 0.739 0.836 + 294PHE HD1 4137 -1.114 0.844 0.826 + 294PHE CE1 4138 -1.018 0.675 0.733 + 294PHE HE1 4139 -0.990 0.730 0.644 + 294PHE CZ 4140 -0.985 0.540 0.746 + 294PHE HZ 4141 -0.931 0.488 0.668 + 294PHE CD2 4142 -1.090 0.534 0.964 + 294PHE HD2 4143 -1.117 0.479 1.053 + 294PHE CE2 4144 -1.020 0.470 0.862 + 294PHE HE2 4145 -0.994 0.366 0.873 + 294PHE C 4146 -1.421 0.794 1.156 + 294PHE O 4147 -1.373 0.897 1.209 + 295GLU N 4148 -1.530 0.737 1.207 + 295GLU HN 4149 -1.564 0.649 1.172 + 295GLU CA 4150 -1.601 0.797 1.318 + 295GLU HA 4151 -1.586 0.904 1.312 + 295GLU CB 4152 -1.755 0.777 1.315 + 295GLU HB1 4153 -1.794 0.809 1.215 + 295GLU HB2 4154 -1.798 0.848 1.389 + 295GLU CG 4155 -1.807 0.636 1.346 + 295GLU HG1 4156 -1.736 0.580 1.411 + 295GLU HG2 4157 -1.819 0.576 1.253 + 295GLU CD 4158 -1.939 0.641 1.422 + 295GLU OE1 4159 -2.041 0.700 1.369 + 295GLU OE2 4160 -1.941 0.594 1.536 + 295GLU C 4161 -1.542 0.755 1.451 + 295GLU O 4162 -1.453 0.670 1.463 + 296THR N 4163 -1.589 0.817 1.560 + 296THR HN 4164 -1.666 0.880 1.554 + 296THR CA 4165 -1.525 0.810 1.691 + 296THR HA 4166 -1.418 0.809 1.674 + 296THR CB 4167 -1.555 0.932 1.777 + 296THR HB 4168 -1.514 0.920 1.880 + 296THR OG1 4169 -1.695 0.958 1.785 + 296THR HG1 4170 -1.704 1.051 1.806 + 296THR CG2 4171 -1.486 1.052 1.711 + 296THR HG21 4172 -1.528 1.072 1.610 + 296THR HG22 4173 -1.378 1.030 1.697 + 296THR HG23 4174 -1.497 1.144 1.772 + 296THR C 4175 -1.554 0.685 1.769 + 296THR O 4176 -1.489 0.658 1.870 + 297SER N 4177 -1.651 0.602 1.727 + 297SER HN 4178 -1.709 0.624 1.648 + 297SER CA 4179 -1.664 0.466 1.779 + 297SER HA 4180 -1.669 0.474 1.887 + 297SER CB 4181 -1.793 0.395 1.731 + 297SER HB1 4182 -1.880 0.458 1.761 + 297SER HB2 4183 -1.804 0.296 1.778 + 297SER OG 4184 -1.798 0.383 1.588 + 297SER HG1 4185 -1.857 0.454 1.557 + 297SER C 4186 -1.542 0.380 1.748 + 297SER O 4187 -1.483 0.318 1.836 + 298GLY N 4188 -1.497 0.388 1.620 + 298GLY HN 4189 -1.542 0.452 1.559 + 298GLY CA 4190 -1.394 0.307 1.558 + 298GLY HA1 4191 -1.365 0.225 1.622 + 298GLY HA2 4192 -1.312 0.372 1.531 + 298GLY C 4193 -1.445 0.247 1.430 + 298GLY O 4194 -1.373 0.174 1.362 + 299ALA N 4195 -1.571 0.276 1.393 + 299ALA HN 4196 -1.631 0.331 1.451 + 299ALA CA 4197 -1.632 0.233 1.270 + 299ALA HA 4198 -1.598 0.132 1.248 + 299ALA CB 4199 -1.786 0.230 1.282 + 299ALA HB1 4200 -1.826 0.332 1.300 + 299ALA HB2 4201 -1.816 0.166 1.367 + 299ALA HB3 4202 -1.833 0.190 1.190 + 299ALA C 4203 -1.593 0.318 1.151 + 299ALA O 4204 -1.557 0.437 1.164 + 300ILE N 4205 -1.599 0.259 1.031 + 300ILE HN 4206 -1.633 0.164 1.023 + 300ILE CA 4207 -1.555 0.321 0.908 + 300ILE HA 4208 -1.528 0.424 0.927 + 300ILE CB 4209 -1.434 0.250 0.847 + 300ILE HB 4210 -1.463 0.148 0.814 + 300ILE CG2 4211 -1.385 0.330 0.723 + 300ILE HG21 4212 -1.354 0.432 0.753 + 300ILE HG22 4213 -1.465 0.338 0.646 + 300ILE HG23 4214 -1.299 0.279 0.676 + 300ILE CG1 4215 -1.321 0.233 0.952 + 300ILE HG11 4216 -1.360 0.181 1.042 + 300ILE HG12 4217 -1.286 0.334 0.984 + 300ILE CD 4218 -1.202 0.150 0.902 + 300ILE HD1 4219 -1.152 0.199 0.816 + 300ILE HD2 4220 -1.235 0.049 0.870 + 300ILE HD3 4221 -1.126 0.138 0.983 + 300ILE C 4222 -1.674 0.322 0.813 + 300ILE O 4223 -1.738 0.223 0.785 + 301ASN N 4224 -1.707 0.443 0.760 + 301ASN HN 4225 -1.650 0.522 0.783 + 301ASN CA 4226 -1.810 0.460 0.660 + 301ASN HA 4227 -1.863 0.366 0.647 + 301ASN CB 4228 -1.912 0.572 0.695 + 301ASN HB1 4229 -1.992 0.579 0.619 + 301ASN HB2 4230 -1.860 0.669 0.700 + 301ASN CG 4231 -1.977 0.552 0.832 + 301ASN OD1 4232 -1.956 0.634 0.922 + 301ASN ND2 4233 -2.063 0.449 0.844 + 301ASN HD21 4234 -2.100 0.428 0.937 + 301ASN HD22 4235 -2.077 0.384 0.771 + 301ASN C 4236 -1.745 0.493 0.527 + 301ASN O 4237 -1.630 0.539 0.520 + 302ARG N 4238 -1.818 0.474 0.418 + 302ARG HN 4239 -1.911 0.438 0.422 + 302ARG CA 4240 -1.766 0.493 0.284 + 302ARG HA 4241 -1.690 0.570 0.286 + 302ARG CB 4242 -1.702 0.361 0.234 + 302ARG HB1 4243 -1.768 0.277 0.266 + 302ARG HB2 4244 -1.605 0.346 0.287 + 302ARG CG 4245 -1.680 0.343 0.081 + 302ARG HG1 4246 -1.778 0.350 0.030 + 302ARG HG2 4247 -1.645 0.239 0.064 + 302ARG CD 4248 -1.582 0.438 0.013 + 302ARG HD1 4249 -1.609 0.544 0.031 + 302ARG HD2 4250 -1.580 0.423 -0.097 + 302ARG NE 4251 -1.444 0.415 0.069 + 302ARG HE 4252 -1.406 0.478 0.135 + 302ARG CZ 4253 -1.361 0.322 0.023 + 302ARG NH1 4254 -1.389 0.232 -0.066 + 302ARG HH11 4255 -1.483 0.221 -0.101 + 302ARG HH12 4256 -1.324 0.162 -0.096 + 302ARG NH2 4257 -1.238 0.327 0.076 + 302ARG HH21 4258 -1.217 0.397 0.142 + 302ARG HH22 4259 -1.168 0.261 0.048 + 302ARG C 4260 -1.876 0.543 0.192 + 302ARG O 4261 -1.989 0.500 0.198 + 303TYR N 4262 -1.840 0.640 0.104 + 303TYR HN 4263 -1.749 0.679 0.104 + 303TYR CA 4264 -1.926 0.677 -0.006 + 303TYR HA 4265 -1.981 0.590 -0.038 + 303TYR CB 4266 -2.028 0.791 0.027 + 303TYR HB1 4267 -2.085 0.761 0.118 + 303TYR HB2 4268 -2.102 0.799 -0.055 + 303TYR CG 4269 -1.969 0.928 0.051 + 303TYR CD1 4270 -1.956 1.018 -0.056 + 303TYR HD1 4271 -1.979 0.986 -0.157 + 303TYR CE1 4272 -1.915 1.151 -0.034 + 303TYR HE1 4273 -1.905 1.219 -0.116 + 303TYR CZ 4274 -1.886 1.193 0.096 + 303TYR OH 4275 -1.848 1.327 0.119 + 303TYR HH 4276 -1.815 1.334 0.210 + 303TYR CD2 4277 -1.939 0.972 0.180 + 303TYR HD2 4278 -1.950 0.903 0.263 + 303TYR CE2 4279 -1.897 1.104 0.203 + 303TYR HE2 4280 -1.873 1.136 0.303 + 303TYR C 4281 -1.837 0.712 -0.123 + 303TYR O 4282 -1.714 0.733 -0.108 + 304TYR N 4283 -1.894 0.716 -0.242 + 304TYR HN 4284 -1.994 0.698 -0.250 + 304TYR CA 4285 -1.826 0.738 -0.366 + 304TYR HA 4286 -1.726 0.774 -0.348 + 304TYR CB 4287 -1.825 0.613 -0.459 + 304TYR HB1 4288 -1.759 0.631 -0.547 + 304TYR HB2 4289 -1.927 0.591 -0.497 + 304TYR CG 4290 -1.778 0.488 -0.388 + 304TYR CD1 4291 -1.864 0.415 -0.304 + 304TYR HD1 4292 -1.965 0.450 -0.287 + 304TYR CE1 4293 -1.819 0.298 -0.241 + 304TYR HE1 4294 -1.885 0.244 -0.173 + 304TYR CZ 4295 -1.691 0.250 -0.264 + 304TYR OH 4296 -1.638 0.139 -0.192 + 304TYR HH 4297 -1.602 0.074 -0.254 + 304TYR CD2 4298 -1.650 0.437 -0.413 + 304TYR HD2 4299 -1.583 0.488 -0.480 + 304TYR CE2 4300 -1.606 0.317 -0.352 + 304TYR HE2 4301 -1.507 0.279 -0.371 + 304TYR C 4302 -1.906 0.846 -0.436 + 304TYR O 4303 -2.025 0.862 -0.414 + 305VAL N 4304 -1.839 0.923 -0.524 + 305VAL HN 4305 -1.742 0.909 -0.540 + 305VAL CA 4306 -1.909 1.019 -0.608 + 305VAL HA 4307 -2.014 0.998 -0.608 + 305VAL CB 4308 -1.890 1.166 -0.567 + 305VAL HB 4309 -1.783 1.196 -0.580 + 305VAL CG1 4310 -1.977 1.258 -0.655 + 305VAL HG11 4311 -2.085 1.231 -0.645 + 305VAL HG12 4312 -1.948 1.251 -0.762 + 305VAL HG13 4313 -1.964 1.363 -0.623 + 305VAL CG2 4314 -1.926 1.184 -0.419 + 305VAL HG21 4315 -1.855 1.128 -0.354 + 305VAL HG22 4316 -2.029 1.148 -0.398 + 305VAL HG23 4317 -1.920 1.291 -0.390 + 305VAL C 4318 -1.859 0.997 -0.748 + 305VAL O 4319 -1.737 0.999 -0.774 + 306GLN N 4320 -1.948 0.975 -0.845 + 306GLN HN 4321 -2.046 0.966 -0.823 + 306GLN CA 4322 -1.909 0.973 -0.984 + 306GLN HA 4323 -1.817 1.028 -0.996 + 306GLN CB 4324 -1.886 0.831 -1.040 + 306GLN HB1 4325 -1.979 0.770 -1.028 + 306GLN HB2 4326 -1.808 0.783 -0.977 + 306GLN CG 4327 -1.840 0.830 -1.187 + 306GLN HG1 4328 -1.753 0.898 -1.200 + 306GLN HG2 4329 -1.922 0.866 -1.253 + 306GLN CD 4330 -1.802 0.690 -1.235 + 306GLN OE1 4331 -1.890 0.609 -1.269 + 306GLN NE2 4332 -1.671 0.660 -1.239 + 306GLN HE21 4333 -1.643 0.568 -1.270 + 306GLN HE22 4334 -1.602 0.728 -1.214 + 306GLN C 4335 -2.013 1.047 -1.065 + 306GLN O 4336 -2.132 1.022 -1.058 + 307ASN N 4337 -1.967 1.148 -1.142 + 307ASN HN 4338 -1.869 1.165 -1.140 + 307ASN CA 4339 -2.049 1.230 -1.229 + 307ASN HA 4340 -1.982 1.301 -1.274 + 307ASN CB 4341 -2.118 1.150 -1.344 + 307ASN HB1 4342 -2.176 1.219 -1.409 + 307ASN HB2 4343 -2.188 1.075 -1.301 + 307ASN CG 4344 -2.013 1.082 -1.431 + 307ASN OD1 4345 -1.898 1.124 -1.437 + 307ASN ND2 4346 -2.055 0.975 -1.501 + 307ASN HD21 4347 -1.984 0.918 -1.545 + 307ASN HD22 4348 -2.149 0.944 -1.495 + 307ASN C 4349 -2.149 1.317 -1.153 + 307ASN O 4350 -2.254 1.356 -1.205 + 308GLY N 4351 -2.114 1.350 -1.027 + 308GLY HN 4352 -2.029 1.313 -0.992 + 308GLY CA 4353 -2.192 1.436 -0.938 + 308GLY HA1 4354 -2.246 1.509 -0.996 + 308GLY HA2 4355 -2.122 1.478 -0.868 + 308GLY C 4356 -2.293 1.360 -0.857 + 308GLY O 4357 -2.365 1.417 -0.776 + 309VAL N 4358 -2.298 1.227 -0.877 + 309VAL HN 4359 -2.232 1.182 -0.937 + 309VAL CA 4360 -2.397 1.140 -0.820 + 309VAL HA 4361 -2.481 1.197 -0.782 + 309VAL CB 4362 -2.446 1.036 -0.920 + 309VAL HB 4363 -2.361 0.971 -0.952 + 309VAL CG1 4364 -2.555 0.948 -0.856 + 309VAL HG11 4365 -2.639 1.010 -0.819 + 309VAL HG12 4366 -2.515 0.886 -0.773 + 309VAL HG13 4367 -2.595 0.878 -0.932 + 309VAL CG2 4368 -2.502 1.106 -1.046 + 309VAL HG21 4369 -2.435 1.187 -1.082 + 309VAL HG22 4370 -2.603 1.147 -1.025 + 309VAL HG23 4371 -2.512 1.031 -1.127 + 309VAL C 4372 -2.330 1.070 -0.705 + 309VAL O 4373 -2.224 1.010 -0.720 + 310THR N 4374 -2.390 1.080 -0.585 + 310THR HN 4375 -2.478 1.125 -0.576 + 310THR CA 4376 -2.333 1.022 -0.464 + 310THR HA 4377 -2.227 1.010 -0.477 + 310THR CB 4378 -2.355 1.110 -0.343 + 310THR HB 4379 -2.464 1.127 -0.326 + 310THR OG1 4380 -2.293 1.237 -0.364 + 310THR HG1 4381 -2.316 1.262 -0.454 + 310THR CG2 4382 -2.292 1.050 -0.216 + 310THR HG21 4383 -2.186 1.024 -0.235 + 310THR HG22 4384 -2.346 0.959 -0.183 + 310THR HG23 4385 -2.296 1.123 -0.133 + 310THR C 4386 -2.393 0.885 -0.441 + 310THR O 4387 -2.513 0.865 -0.440 + 311PHE N 4388 -2.304 0.785 -0.421 + 311PHE HN 4389 -2.206 0.804 -0.422 + 311PHE CA 4390 -2.342 0.649 -0.391 + 311PHE HA 4391 -2.450 0.639 -0.384 + 311PHE CB 4392 -2.286 0.547 -0.494 + 311PHE HB1 4393 -2.318 0.444 -0.468 + 311PHE HB2 4394 -2.175 0.549 -0.495 + 311PHE CG 4395 -2.336 0.579 -0.632 + 311PHE CD1 4396 -2.458 0.528 -0.677 + 311PHE HD1 4397 -2.519 0.468 -0.611 + 311PHE CE1 4398 -2.502 0.551 -0.809 + 311PHE HE1 4399 -2.596 0.511 -0.842 + 311PHE CZ 4400 -2.421 0.624 -0.897 + 311PHE HZ 4401 -2.453 0.639 -0.999 + 311PHE CD2 4402 -2.257 0.654 -0.721 + 311PHE HD2 4403 -2.162 0.693 -0.688 + 311PHE CE2 4404 -2.299 0.676 -0.853 + 311PHE HE2 4405 -2.236 0.732 -0.921 + 311PHE C 4406 -2.283 0.618 -0.257 + 311PHE O 4407 -2.162 0.633 -0.236 + 312GLN N 4408 -2.364 0.575 -0.160 + 312GLN HN 4409 -2.461 0.563 -0.177 + 312GLN CA 4410 -2.314 0.516 -0.037 + 312GLN HA 4411 -2.235 0.578 0.002 + 312GLN CB 4412 -2.429 0.502 0.067 + 312GLN HB1 4413 -2.499 0.421 0.034 + 312GLN HB2 4414 -2.487 0.597 0.066 + 312GLN CG 4415 -2.385 0.475 0.213 + 312GLN HG1 4416 -2.324 0.382 0.217 + 312GLN HG2 4417 -2.476 0.459 0.274 + 312GLN CD 4418 -2.306 0.591 0.274 + 312GLN OE1 4419 -2.307 0.705 0.228 + 312GLN NE2 4420 -2.240 0.563 0.389 + 312GLN HE21 4421 -2.181 0.635 0.424 + 312GLN HE22 4422 -2.234 0.468 0.420 + 312GLN C 4423 -2.257 0.379 -0.071 + 312GLN O 4424 -2.300 0.317 -0.168 + 313GLN N 4425 -2.159 0.329 0.008 + 313GLN HN 4426 -2.118 0.385 0.079 + 313GLN CA 4427 -2.122 0.187 0.013 + 313GLN HA 4428 -2.056 0.169 -0.070 + 313GLN CB 4429 -2.045 0.162 0.146 + 313GLN HB1 4430 -2.115 0.180 0.231 + 313GLN HB2 4431 -1.965 0.238 0.154 + 313GLN CG 4432 -1.982 0.022 0.166 + 313GLN HG1 4433 -2.054 -0.058 0.142 + 313GLN HG2 4434 -1.952 0.009 0.272 + 313GLN CD 4435 -1.860 0.003 0.075 + 313GLN OE1 4436 -1.875 -0.005 -0.046 + 313GLN NE2 4437 -1.738 -0.002 0.134 + 313GLN HE21 4438 -1.661 -0.021 0.074 + 313GLN HE22 4439 -1.730 -0.007 0.233 + 313GLN C 4440 -2.244 0.094 0.004 + 313GLN O 4441 -2.340 0.118 0.075 + 314PRO N 4442 -2.251 -0.009 -0.083 + 314PRO CD 4443 -2.161 -0.034 -0.194 + 314PRO HD1 4444 -2.072 -0.091 -0.158 + 314PRO HD2 4445 -2.128 0.061 -0.243 + 314PRO CA 4446 -2.364 -0.100 -0.085 + 314PRO HA 4447 -2.451 -0.040 -0.109 + 314PRO CB 4448 -2.331 -0.201 -0.195 + 314PRO HB1 4449 -2.422 -0.241 -0.243 + 314PRO HB2 4450 -2.270 -0.286 -0.154 + 314PRO CG 4451 -2.243 -0.120 -0.290 + 314PRO HG1 4452 -2.179 -0.184 -0.354 + 314PRO HG2 4453 -2.306 -0.054 -0.354 + 314PRO C 4454 -2.392 -0.167 0.047 + 314PRO O 4455 -2.299 -0.198 0.121 + 315ASN N 4456 -2.520 -0.194 0.078 + 315ASN HN 4457 -2.594 -0.158 0.024 + 315ASN CA 4458 -2.554 -0.289 0.181 + 315ASN HA 4459 -2.500 -0.259 0.270 + 315ASN CB 4460 -2.706 -0.296 0.211 + 315ASN HB1 4461 -2.730 -0.388 0.267 + 315ASN HB2 4462 -2.763 -0.298 0.116 + 315ASN CG 4463 -2.748 -0.174 0.292 + 315ASN OD1 4464 -2.734 -0.058 0.252 + 315ASN ND2 4465 -2.806 -0.199 0.411 + 315ASN HD21 4466 -2.835 -0.124 0.470 + 315ASN HD22 4467 -2.832 -0.293 0.436 + 315ASN C 4468 -2.503 -0.428 0.147 + 315ASN O 4469 -2.507 -0.471 0.030 + 316ALA N 4470 -2.455 -0.496 0.250 + 316ALA HN 4471 -2.450 -0.455 0.341 + 316ALA CA 4472 -2.411 -0.632 0.246 + 316ALA HA 4473 -2.435 -0.678 0.151 + 316ALA CB 4474 -2.260 -0.638 0.274 + 316ALA HB1 4475 -2.235 -0.588 0.370 + 316ALA HB2 4476 -2.204 -0.586 0.193 + 316ALA HB3 4477 -2.223 -0.743 0.279 + 316ALA C 4478 -2.489 -0.700 0.356 + 316ALA O 4479 -2.507 -0.647 0.463 + 317GLU N 4480 -2.540 -0.822 0.326 + 317GLU HN 4481 -2.529 -0.863 0.237 + 317GLU CA 4482 -2.610 -0.900 0.425 + 317GLU HA 4483 -2.613 -0.849 0.521 + 317GLU CB 4484 -2.755 -0.934 0.382 + 317GLU HB1 4485 -2.803 -0.988 0.468 + 317GLU HB2 4486 -2.754 -1.001 0.294 + 317GLU CG 4487 -2.837 -0.807 0.348 + 317GLU HG1 4488 -2.807 -0.767 0.249 + 317GLU HG2 4489 -2.816 -0.729 0.425 + 317GLU CD 4490 -2.988 -0.831 0.349 + 317GLU OE1 4491 -3.040 -0.859 0.458 + 317GLU OE2 4492 -3.053 -0.812 0.241 + 317GLU C 4493 -2.527 -1.024 0.443 + 317GLU O 4494 -2.507 -1.103 0.348 + 318LEU N 4495 -2.470 -1.042 0.562 + 318LEU HN 4496 -2.495 -0.981 0.638 + 318LEU CA 4497 -2.371 -1.142 0.588 + 318LEU HA 4498 -2.380 -1.223 0.517 + 318LEU CB 4499 -2.230 -1.077 0.578 + 318LEU HB1 4500 -2.220 -0.999 0.658 + 318LEU HB2 4501 -2.225 -1.024 0.481 + 318LEU CG 4502 -2.109 -1.172 0.584 + 318LEU HG 4503 -2.113 -1.230 0.679 + 318LEU CD1 4504 -2.108 -1.270 0.467 + 318LEU HD11 4505 -2.107 -1.215 0.370 + 318LEU HD12 4506 -2.197 -1.337 0.468 + 318LEU HD13 4507 -2.017 -1.334 0.472 + 318LEU CD2 4508 -1.980 -1.090 0.585 + 318LEU HD21 4509 -1.969 -1.032 0.679 + 318LEU HD22 4510 -1.978 -1.018 0.500 + 318LEU HD23 4511 -1.891 -1.156 0.574 + 318LEU C 4512 -2.400 -1.195 0.727 + 318LEU O 4513 -2.394 -1.123 0.825 + 319GLY N 4514 -2.437 -1.325 0.740 + 319GLY HN 4515 -2.440 -1.384 0.660 + 319GLY CA 4516 -2.472 -1.382 0.870 + 319GLY HA1 4517 -2.386 -1.372 0.934 + 319GLY HA2 4518 -2.497 -1.486 0.852 + 319GLY C 4519 -2.591 -1.319 0.939 + 319GLY O 4520 -2.705 -1.327 0.895 + 320SER N 4521 -2.568 -1.257 1.057 + 320SER HN 4522 -2.476 -1.258 1.095 + 320SER CA 4523 -2.669 -1.183 1.130 + 320SER HA 4524 -2.768 -1.209 1.095 + 320SER CB 4525 -2.661 -1.212 1.283 + 320SER HB1 4526 -2.681 -1.320 1.296 + 320SER HB2 4527 -2.740 -1.156 1.339 + 320SER OG 4528 -2.532 -1.185 1.339 + 320SER HG1 4529 -2.509 -1.094 1.316 + 320SER C 4530 -2.656 -1.033 1.112 + 320SER O 4531 -2.729 -0.955 1.171 + 321TYR N 4532 -2.559 -0.992 1.027 + 321TYR HN 4533 -2.506 -1.058 0.974 + 321TYR CA 4534 -2.532 -0.855 0.994 + 321TYR HA 4535 -2.568 -0.791 1.074 + 321TYR CB 4536 -2.378 -0.831 0.980 + 321TYR HB1 4537 -2.335 -0.905 0.910 + 321TYR HB2 4538 -2.329 -0.846 1.079 + 321TYR CG 4539 -2.343 -0.694 0.929 + 321TYR CD1 4540 -2.327 -0.670 0.791 + 321TYR HD1 4541 -2.337 -0.752 0.721 + 321TYR CE1 4542 -2.303 -0.540 0.744 + 321TYR HE1 4543 -2.293 -0.522 0.638 + 321TYR CZ 4544 -2.292 -0.435 0.835 + 321TYR OH 4545 -2.270 -0.301 0.795 + 321TYR HH 4546 -2.209 -0.264 0.859 + 321TYR CD2 4547 -2.328 -0.588 1.019 + 321TYR HD2 4548 -2.338 -0.605 1.125 + 321TYR CE2 4549 -2.301 -0.459 0.972 + 321TYR HE2 4550 -2.289 -0.378 1.042 + 321TYR C 4551 -2.610 -0.812 0.870 + 321TYR O 4552 -2.629 -0.889 0.774 + 322SER N 4553 -2.654 -0.687 0.868 + 322SER HN 4554 -2.632 -0.627 0.944 + 322SER CA 4555 -2.707 -0.620 0.751 + 322SER HA 4556 -2.659 -0.658 0.662 + 322SER CB 4557 -2.861 -0.629 0.739 + 322SER HB1 4558 -2.910 -0.580 0.826 + 322SER HB2 4559 -2.891 -0.736 0.739 + 322SER OG 4560 -2.907 -0.568 0.618 + 322SER HG1 4561 -2.932 -0.641 0.559 + 322SER C 4562 -2.666 -0.476 0.774 + 322SER O 4563 -2.669 -0.428 0.885 + 323GLY N 4564 -2.621 -0.408 0.665 + 323GLY HN 4565 -2.607 -0.456 0.579 + 323GLY CA 4566 -2.578 -0.269 0.673 + 323GLY HA1 4567 -2.533 -0.250 0.769 + 323GLY HA2 4568 -2.663 -0.206 0.651 + 323GLY C 4569 -2.474 -0.240 0.569 + 323GLY O 4570 -2.440 -0.326 0.486 + 324ASN N 4571 -2.423 -0.116 0.567 + 324ASN HN 4572 -2.457 -0.048 0.632 + 324ASN CA 4573 -2.320 -0.069 0.475 + 324ASN HA 4574 -2.280 -0.153 0.419 + 324ASN CB 4575 -2.383 0.030 0.374 + 324ASN HB1 4576 -2.454 -0.027 0.311 + 324ASN HB2 4577 -2.304 0.071 0.308 + 324ASN CG 4578 -2.458 0.147 0.438 + 324ASN OD1 4579 -2.446 0.184 0.556 + 324ASN ND2 4580 -2.547 0.209 0.357 + 324ASN HD21 4581 -2.554 0.177 0.263 + 324ASN HD22 4582 -2.605 0.279 0.397 + 324ASN C 4583 -2.203 -0.005 0.547 + 324ASN O 4584 -2.129 0.079 0.491 + 325GLU N 4585 -2.183 -0.039 0.674 + 325GLU HN 4586 -2.236 -0.116 0.712 + 325GLU CA 4587 -2.086 0.022 0.762 + 325GLU HA 4588 -2.027 0.094 0.708 + 325GLU CB 4589 -2.157 0.091 0.881 + 325GLU HB1 4590 -2.229 0.019 0.924 + 325GLU HB2 4591 -2.216 0.176 0.839 + 325GLU CG 4592 -2.066 0.142 0.996 + 325GLU HG1 4593 -1.990 0.214 0.959 + 325GLU HG2 4594 -2.012 0.058 1.042 + 325GLU CD 4595 -2.150 0.210 1.104 + 325GLU OE1 4596 -2.157 0.154 1.216 + 325GLU OE2 4597 -2.214 0.316 1.075 + 325GLU C 4598 -1.990 -0.084 0.814 + 325GLU O 4599 -2.032 -0.183 0.871 + 326LEU N 4600 -1.858 -0.061 0.794 + 326LEU HN 4601 -1.824 0.022 0.752 + 326LEU CA 4602 -1.755 -0.149 0.846 + 326LEU HA 4603 -1.786 -0.252 0.830 + 326LEU CB 4604 -1.622 -0.125 0.771 + 326LEU HB1 4605 -1.576 -0.029 0.803 + 326LEU HB2 4606 -1.648 -0.114 0.663 + 326LEU CG 4607 -1.517 -0.238 0.777 + 326LEU HG 4608 -1.567 -0.335 0.753 + 326LEU CD1 4609 -1.410 -0.215 0.668 + 326LEU HD11 4610 -1.353 -0.122 0.687 + 326LEU HD12 4611 -1.457 -0.208 0.567 + 326LEU HD13 4612 -1.339 -0.300 0.666 + 326LEU CD2 4613 -1.448 -0.253 0.914 + 326LEU HD21 4614 -1.520 -0.282 0.992 + 326LEU HD22 4615 -1.398 -0.158 0.943 + 326LEU HD23 4616 -1.371 -0.333 0.907 + 326LEU C 4617 -1.745 -0.123 0.996 + 326LEU O 4618 -1.704 -0.016 1.042 + 327ASN N 4619 -1.787 -0.222 1.076 + 327ASN HN 4620 -1.818 -0.308 1.037 + 327ASN CA 4621 -1.801 -0.209 1.219 + 327ASN HA 4622 -1.723 -0.145 1.255 + 327ASN CB 4623 -1.939 -0.148 1.262 + 327ASN HB1 4624 -1.943 -0.044 1.222 + 327ASN HB2 4625 -1.945 -0.142 1.372 + 327ASN CG 4626 -2.062 -0.224 1.212 + 327ASN OD1 4627 -2.059 -0.341 1.176 + 327ASN ND2 4628 -2.177 -0.152 1.214 + 327ASN HD21 4629 -2.175 -0.055 1.234 + 327ASN HD22 4630 -2.261 -0.200 1.186 + 327ASN C 4631 -1.775 -0.346 1.279 + 327ASN O 4632 -1.757 -0.445 1.207 + 328ASP N 4633 -1.770 -0.358 1.413 + 328ASP HN 4634 -1.779 -0.279 1.473 + 328ASP CA 4635 -1.741 -0.483 1.481 + 328ASP HA 4636 -1.644 -0.517 1.446 + 328ASP CB 4637 -1.735 -0.461 1.635 + 328ASP HB1 4638 -1.719 -0.559 1.686 + 328ASP HB2 4639 -1.831 -0.418 1.670 + 328ASP CG 4640 -1.622 -0.368 1.677 + 328ASP OD1 4641 -1.504 -0.414 1.681 + 328ASP OD2 4642 -1.653 -0.250 1.706 + 328ASP C 4643 -1.841 -0.594 1.448 + 328ASP O 4644 -1.801 -0.711 1.432 + 329ASP N 4645 -1.972 -0.561 1.434 + 329ASP HN 4646 -2.002 -0.468 1.449 + 329ASP CA 4647 -2.076 -0.654 1.393 + 329ASP HA 4648 -2.073 -0.737 1.462 + 329ASP CB 4649 -2.220 -0.590 1.397 + 329ASP HB1 4650 -2.292 -0.662 1.352 + 329ASP HB2 4651 -2.221 -0.497 1.337 + 329ASP CG 4652 -2.276 -0.559 1.536 + 329ASP OD1 4653 -2.211 -0.596 1.638 + 329ASP OD2 4654 -2.389 -0.504 1.543 + 329ASP C 4655 -2.050 -0.712 1.255 + 329ASP O 4656 -2.065 -0.835 1.236 + 330TYR N 4657 -2.009 -0.632 1.155 + 330TYR HN 4658 -2.001 -0.532 1.170 + 330TYR CA 4659 -1.967 -0.678 1.023 + 330TYR HA 4660 -2.049 -0.736 0.981 + 330TYR CB 4661 -1.938 -0.558 0.927 + 330TYR HB1 4662 -1.870 -0.487 0.977 + 330TYR HB2 4663 -2.032 -0.503 0.904 + 330TYR CG 4664 -1.875 -0.600 0.796 + 330TYR CD1 4665 -1.949 -0.670 0.699 + 330TYR HD1 4666 -2.054 -0.688 0.715 + 330TYR CE1 4667 -1.887 -0.720 0.584 + 330TYR HE1 4668 -1.944 -0.776 0.511 + 330TYR CZ 4669 -1.750 -0.703 0.565 + 330TYR OH 4670 -1.687 -0.758 0.452 + 330TYR HH 4671 -1.592 -0.771 0.469 + 330TYR CD2 4672 -1.738 -0.579 0.773 + 330TYR HD2 4673 -1.678 -0.527 0.846 + 330TYR CE2 4674 -1.675 -0.631 0.659 + 330TYR HE2 4675 -1.568 -0.620 0.644 + 330TYR C 4676 -1.849 -0.774 1.029 + 330TYR O 4677 -1.853 -0.883 0.974 + 331CYS N 4678 -1.742 -0.736 1.102 + 331CYS HN 4679 -1.742 -0.648 1.148 + 331CYS CA 4680 -1.619 -0.815 1.108 + 331CYS HA 4681 -1.591 -0.840 1.007 + 331CYS CB 4682 -1.506 -0.734 1.175 + 331CYS HB1 4683 -1.413 -0.795 1.176 + 331CYS HB2 4684 -1.535 -0.710 1.280 + 331CYS SG 4685 -1.474 -0.579 1.087 + 331CYS C 4686 -1.638 -0.945 1.181 + 331CYS O 4687 -1.584 -1.051 1.141 + 332THR N 4688 -1.718 -0.946 1.287 + 332THR HN 4689 -1.761 -0.859 1.315 + 332THR CA 4690 -1.757 -1.067 1.360 + 332THR HA 4691 -1.666 -1.118 1.390 + 332THR CB 4692 -1.841 -1.035 1.484 + 332THR HB 4693 -1.936 -0.985 1.454 + 332THR OG1 4694 -1.771 -0.947 1.572 + 332THR HG1 4695 -1.764 -0.863 1.523 + 332THR CG2 4696 -1.872 -1.163 1.564 + 332THR HG21 4697 -1.777 -1.211 1.595 + 332THR HG22 4698 -1.929 -1.235 1.503 + 332THR HG23 4699 -1.930 -1.138 1.655 + 332THR C 4700 -1.837 -1.161 1.272 + 332THR O 4701 -1.816 -1.284 1.271 + 333ALA N 4702 -1.931 -1.107 1.194 + 333ALA HN 4703 -1.946 -1.008 1.193 + 333ALA CA 4704 -2.007 -1.182 1.095 + 333ALA HA 4705 -2.053 -1.265 1.145 + 333ALA CB 4706 -2.116 -1.092 1.033 + 333ALA HB1 4707 -2.071 -1.005 0.980 + 333ALA HB2 4708 -2.183 -1.052 1.113 + 333ALA HB3 4709 -2.177 -1.149 0.960 + 333ALA C 4710 -1.921 -1.237 0.984 + 333ALA O 4711 -1.937 -1.357 0.946 + 334GLU N 4712 -1.826 -1.161 0.931 + 334GLU HN 4713 -1.816 -1.064 0.959 + 334GLU CA 4714 -1.736 -1.202 0.826 + 334GLU HA 4715 -1.795 -1.236 0.743 + 334GLU CB 4716 -1.650 -1.083 0.780 + 334GLU HB1 4717 -1.584 -1.048 0.861 + 334GLU HB2 4718 -1.717 -0.998 0.753 + 334GLU CG 4719 -1.565 -1.119 0.655 + 334GLU HG1 4720 -1.633 -1.148 0.573 + 334GLU HG2 4721 -1.494 -1.201 0.674 + 334GLU CD 4722 -1.485 -0.999 0.606 + 334GLU OE1 4723 -1.466 -0.903 0.680 + 334GLU OE2 4724 -1.446 -1.010 0.484 + 334GLU C 4725 -1.648 -1.320 0.865 + 334GLU O 4726 -1.639 -1.419 0.794 + 335GLU N 4727 -1.589 -1.316 0.987 + 335GLU HN 4728 -1.594 -1.233 1.042 + 335GLU CA 4729 -1.513 -1.428 1.043 + 335GLU HA 4730 -1.435 -1.453 0.972 + 335GLU CB 4731 -1.448 -1.390 1.178 + 335GLU HB1 4732 -1.406 -1.482 1.225 + 335GLU HB2 4733 -1.526 -1.348 1.246 + 335GLU CG 4734 -1.330 -1.288 1.168 + 335GLU HG1 4735 -1.367 -1.193 1.126 + 335GLU HG2 4736 -1.252 -1.327 1.101 + 335GLU CD 4737 -1.271 -1.260 1.307 + 335GLU OE1 4738 -1.346 -1.257 1.404 + 335GLU OE2 4739 -1.144 -1.242 1.319 + 335GLU C 4740 -1.599 -1.553 1.062 + 335GLU O 4741 -1.554 -1.668 1.045 + 336ALA N 4742 -1.725 -1.539 1.103 + 336ALA HN 4743 -1.762 -1.447 1.119 + 336ALA CA 4744 -1.818 -1.651 1.110 + 336ALA HA 4745 -1.771 -1.729 1.167 + 336ALA CB 4746 -1.946 -1.607 1.184 + 336ALA HB1 4747 -2.002 -1.532 1.123 + 336ALA HB2 4748 -1.920 -1.560 1.281 + 336ALA HB3 4749 -2.012 -1.694 1.202 + 336ALA C 4750 -1.853 -1.713 0.976 + 336ALA O 4751 -1.860 -1.838 0.966 + 337GLU N 4752 -1.876 -1.634 0.872 + 337GLU HN 4753 -1.869 -1.534 0.883 + 337GLU CA 4754 -1.927 -1.680 0.744 + 337GLU HA 4755 -1.989 -1.767 0.761 + 337GLU CB 4756 -2.013 -1.570 0.678 + 337GLU HB1 4757 -2.039 -1.598 0.574 + 337GLU HB2 4758 -1.953 -1.476 0.674 + 337GLU CG 4759 -2.146 -1.540 0.753 + 337GLU HG1 4760 -2.194 -1.453 0.705 + 337GLU HG2 4761 -2.125 -1.513 0.859 + 337GLU CD 4762 -2.247 -1.655 0.753 + 337GLU OE1 4763 -2.296 -1.689 0.640 + 337GLU OE2 4764 -2.281 -1.709 0.860 + 337GLU C 4765 -1.816 -1.721 0.649 + 337GLU O 4766 -1.829 -1.825 0.580 + 338PHE N 4767 -1.706 -1.646 0.642 + 338PHE HN 4768 -1.696 -1.562 0.699 + 338PHE CA 4769 -1.595 -1.668 0.549 + 338PHE HA 4770 -1.625 -1.737 0.471 + 338PHE CB 4771 -1.544 -1.535 0.486 + 338PHE HB1 4772 -1.459 -1.557 0.418 + 338PHE HB2 4773 -1.509 -1.466 0.566 + 338PHE CG 4774 -1.644 -1.458 0.401 + 338PHE CD1 4775 -1.766 -1.511 0.356 + 338PHE HD1 4776 -1.796 -1.610 0.384 + 338PHE CE1 4777 -1.850 -1.435 0.273 + 338PHE HE1 4778 -1.945 -1.476 0.241 + 338PHE CZ 4779 -1.812 -1.306 0.234 + 338PHE HZ 4780 -1.876 -1.248 0.169 + 338PHE CD2 4781 -1.608 -1.328 0.362 + 338PHE HD2 4782 -1.515 -1.285 0.397 + 338PHE CE2 4783 -1.691 -1.253 0.278 + 338PHE HE2 4784 -1.661 -1.153 0.251 + 338PHE C 4785 -1.478 -1.730 0.621 + 338PHE O 4786 -1.375 -1.764 0.558 + 339GLY N 4787 -1.487 -1.753 0.752 + 339GLY HN 4788 -1.566 -1.717 0.803 + 339GLY CA 4789 -1.380 -1.811 0.831 + 339GLY HA1 4790 -1.336 -1.892 0.774 + 339GLY HA2 4791 -1.423 -1.844 0.924 + 339GLY C 4792 -1.268 -1.718 0.865 + 339GLY O 4793 -1.260 -1.603 0.822 + 340GLY N 4794 -1.175 -1.769 0.948 + 340GLY HN 4795 -1.192 -1.860 0.986 + 340GLY CA 4796 -1.063 -1.694 1.001 + 340GLY HA1 4797 -1.044 -1.606 0.941 + 340GLY HA2 4798 -0.979 -1.761 1.006 + 340GLY C 4799 -1.088 -1.648 1.142 + 340GLY O 4800 -1.190 -1.678 1.205 + 341SER N 4801 -0.989 -1.578 1.197 + 341SER HN 4802 -0.909 -1.555 1.142 + 341SER CA 4803 -0.995 -1.529 1.333 + 341SER HA 4804 -1.088 -1.475 1.345 + 341SER CB 4805 -0.985 -1.642 1.441 + 341SER HB1 4806 -1.069 -1.712 1.423 + 341SER HB2 4807 -0.997 -1.597 1.542 + 341SER OG 4808 -0.863 -1.717 1.437 + 341SER HG1 4809 -0.791 -1.652 1.443 + 341SER C 4810 -0.884 -1.431 1.362 + 341SER O 4811 -0.873 -1.378 1.472 + 342SER N 4812 -0.795 -1.403 1.265 + 342SER HN 4813 -0.802 -1.438 1.171 + 342SER CA 4814 -0.680 -1.317 1.282 + 342SER HA 4815 -0.625 -1.357 1.366 + 342SER CB 4816 -0.586 -1.324 1.160 + 342SER HB1 4817 -0.539 -1.425 1.161 + 342SER HB2 4818 -0.505 -1.248 1.165 + 342SER OG 4819 -0.658 -1.311 1.038 + 342SER HG1 4820 -0.655 -1.215 1.015 + 342SER C 4821 -0.714 -1.174 1.322 + 342SER O 4822 -0.646 -1.117 1.408 + 343PHE N 4823 -0.821 -1.115 1.265 + 343PHE HN 4824 -0.875 -1.163 1.196 + 343PHE CA 4825 -0.869 -0.982 1.300 + 343PHE HA 4826 -0.786 -0.914 1.289 + 343PHE CB 4827 -0.984 -0.940 1.203 + 343PHE HB1 4828 -1.071 -1.007 1.214 + 343PHE HB2 4829 -0.946 -0.950 1.099 + 343PHE CG 4830 -1.028 -0.796 1.221 + 343PHE CD1 4831 -0.956 -0.693 1.159 + 343PHE HD1 4832 -0.866 -0.718 1.104 + 343PHE CE1 4833 -0.999 -0.560 1.164 + 343PHE HE1 4834 -0.943 -0.484 1.113 + 343PHE CZ 4835 -1.117 -0.529 1.232 + 343PHE HZ 4836 -1.152 -0.427 1.232 + 343PHE CD2 4837 -1.148 -0.763 1.288 + 343PHE HD2 4838 -1.207 -0.842 1.332 + 343PHE CE2 4839 -1.192 -0.630 1.293 + 343PHE HE2 4840 -1.285 -0.605 1.341 + 343PHE C 4841 -0.913 -0.973 1.446 + 343PHE O 4842 -0.874 -0.883 1.522 + 344SER N 4843 -0.993 -1.071 1.493 + 344SER HN 4844 -1.027 -1.142 1.429 + 344SER CA 4845 -1.036 -1.081 1.632 + 344SER HA 4846 -1.071 -0.982 1.659 + 344SER CB 4847 -1.155 -1.176 1.655 + 344SER HB1 4848 -1.242 -1.137 1.597 + 344SER HB2 4849 -1.184 -1.177 1.762 + 344SER OG 4850 -1.129 -1.309 1.611 + 344SER HG1 4851 -1.137 -1.303 1.513 + 344SER C 4852 -0.925 -1.112 1.731 + 344SER O 4853 -0.923 -1.057 1.842 + 345ASP N 4854 -0.827 -1.198 1.692 + 345ASP HN 4855 -0.838 -1.245 1.603 + 345ASP CA 4856 -0.707 -1.233 1.767 + 345ASP HA 4857 -0.739 -1.275 1.862 + 345ASP CB 4858 -0.617 -1.337 1.691 + 345ASP HB1 4859 -0.520 -1.346 1.744 + 345ASP HB2 4860 -0.598 -1.298 1.589 + 345ASP CG 4861 -0.671 -1.479 1.680 + 345ASP OD1 4862 -0.764 -1.519 1.753 + 345ASP OD2 4863 -0.605 -1.558 1.604 + 345ASP C 4864 -0.622 -1.110 1.798 + 345ASP O 4865 -0.565 -1.095 1.907 + 346LYS N 4866 -0.613 -1.016 1.702 + 346LYS HN 4867 -0.658 -1.031 1.614 + 346LYS CA 4868 -0.534 -0.894 1.715 + 346LYS HA 4869 -0.456 -0.909 1.788 + 346LYS CB 4870 -0.464 -0.858 1.581 + 346LYS HB1 4871 -0.444 -0.749 1.574 + 346LYS HB2 4872 -0.533 -0.883 1.497 + 346LYS CG 4873 -0.329 -0.928 1.560 + 346LYS HG1 4874 -0.259 -0.892 1.639 + 346LYS HG2 4875 -0.288 -0.894 1.462 + 346LYS CD 4876 -0.333 -1.082 1.561 + 346LYS HD1 4877 -0.402 -1.115 1.481 + 346LYS HD2 4878 -0.374 -1.116 1.659 + 346LYS CE 4879 -0.194 -1.143 1.541 + 346LYS HE1 4880 -0.127 -1.114 1.625 + 346LYS HE2 4881 -0.149 -1.108 1.447 + 346LYS NZ 4882 -0.201 -1.290 1.537 + 346LYS HZ1 4883 -0.264 -1.323 1.460 + 346LYS HZ2 4884 -0.240 -1.326 1.625 + 346LYS HZ3 4885 -0.105 -1.328 1.520 + 346LYS C 4886 -0.615 -0.778 1.769 + 346LYS O 4887 -0.568 -0.665 1.780 + 347GLY N 4888 -0.740 -0.805 1.812 + 347GLY HN 4889 -0.776 -0.897 1.797 + 347GLY CA 4890 -0.816 -0.714 1.898 + 347GLY HA1 4891 -0.749 -0.648 1.949 + 347GLY HA2 4892 -0.872 -0.776 1.965 + 347GLY C 4893 -0.915 -0.629 1.824 + 347GLY O 4894 -0.972 -0.536 1.881 + 348GLY N 4895 -0.940 -0.661 1.695 + 348GLY HN 4896 -0.889 -0.738 1.653 + 348GLY CA 4897 -1.033 -0.595 1.604 + 348GLY HA1 4898 -1.133 -0.622 1.636 + 348GLY HA2 4899 -1.009 -0.632 1.505 + 348GLY C 4900 -1.026 -0.445 1.597 + 348GLY O 4901 -0.918 -0.383 1.613 + 349LEU N 4902 -1.139 -0.377 1.576 + 349LEU HN 4903 -1.227 -0.424 1.566 + 349LEU CA 4904 -1.144 -0.232 1.558 + 349LEU HA 4905 -1.073 -0.207 1.481 + 349LEU CB 4906 -1.284 -0.184 1.514 + 349LEU HB1 4907 -1.289 -0.072 1.516 + 349LEU HB2 4908 -1.360 -0.222 1.585 + 349LEU CG 4909 -1.325 -0.226 1.371 + 349LEU HG 4910 -1.319 -0.337 1.363 + 349LEU CD1 4911 -1.470 -0.185 1.346 + 349LEU HD11 4912 -1.480 -0.074 1.348 + 349LEU HD12 4913 -1.536 -0.228 1.424 + 349LEU HD13 4914 -1.503 -0.222 1.246 + 349LEU CD2 4915 -1.235 -0.163 1.264 + 349LEU HD21 4916 -1.129 -0.196 1.274 + 349LEU HD22 4917 -1.239 -0.052 1.269 + 349LEU HD23 4918 -1.270 -0.194 1.163 + 349LEU C 4919 -1.103 -0.157 1.683 + 349LEU O 4920 -1.052 -0.044 1.677 + 350THR N 4921 -1.122 -0.216 1.801 + 350THR HN 4922 -1.160 -0.308 1.799 + 350THR CA 4923 -1.076 -0.159 1.927 + 350THR HA 4924 -1.116 -0.059 1.933 + 350THR CB 4925 -1.128 -0.238 2.046 + 350THR HB 4926 -1.111 -0.347 2.027 + 350THR OG1 4927 -1.267 -0.211 2.061 + 350THR HG1 4928 -1.311 -0.247 1.982 + 350THR CG2 4929 -1.063 -0.200 2.180 + 350THR HG21 4930 -1.072 -0.091 2.198 + 350THR HG22 4931 -0.956 -0.227 2.183 + 350THR HG23 4932 -1.113 -0.255 2.262 + 350THR C 4933 -0.927 -0.142 1.938 + 350THR O 4934 -0.878 -0.036 1.981 + 351GLN N 4935 -0.849 -0.243 1.898 + 351GLN HN 4936 -0.889 -0.329 1.863 + 351GLN CA 4937 -0.705 -0.232 1.887 + 351GLN HA 4938 -0.668 -0.190 1.979 + 351GLN CB 4939 -0.639 -0.370 1.862 + 351GLN HB1 4940 -0.682 -0.415 1.770 + 351GLN HB2 4941 -0.667 -0.437 1.946 + 351GLN CG 4942 -0.485 -0.367 1.850 + 351GLN HG1 4943 -0.456 -0.311 1.758 + 351GLN HG2 4944 -0.446 -0.470 1.839 + 351GLN CD 4945 -0.417 -0.303 1.972 + 351GLN OE1 4946 -0.469 -0.286 2.080 + 351GLN NE2 4947 -0.287 -0.268 1.951 + 351GLN HE21 4948 -0.245 -0.291 1.863 + 351GLN HE22 4949 -0.233 -0.241 2.030 + 351GLN C 4950 -0.663 -0.138 1.776 + 351GLN O 4951 -0.574 -0.052 1.794 + 352PHE N 4952 -0.730 -0.147 1.661 + 352PHE HN 4953 -0.801 -0.218 1.652 + 352PHE CA 4954 -0.706 -0.071 1.541 + 352PHE HA 4955 -0.603 -0.088 1.513 + 352PHE CB 4956 -0.802 -0.121 1.430 + 352PHE HB1 4957 -0.906 -0.095 1.455 + 352PHE HB2 4958 -0.794 -0.231 1.416 + 352PHE CG 4959 -0.766 -0.056 1.301 + 352PHE CD1 4960 -0.639 -0.082 1.246 + 352PHE HD1 4961 -0.573 -0.153 1.293 + 352PHE CE1 4962 -0.596 -0.013 1.133 + 352PHE HE1 4963 -0.498 -0.032 1.093 + 352PHE CZ 4964 -0.680 0.080 1.072 + 352PHE HZ 4965 -0.647 0.131 0.984 + 352PHE CD2 4966 -0.851 0.037 1.238 + 352PHE HD2 4967 -0.948 0.057 1.280 + 352PHE CE2 4968 -0.808 0.105 1.124 + 352PHE HE2 4969 -0.873 0.177 1.076 + 352PHE C 4970 -0.722 0.079 1.564 + 352PHE O 4971 -0.646 0.163 1.512 + 353LYS N 4972 -0.818 0.118 1.648 + 353LYS HN 4973 -0.877 0.047 1.687 + 353LYS CA 4974 -0.853 0.255 1.681 + 353LYS HA 4975 -0.881 0.303 1.589 + 353LYS CB 4976 -0.974 0.252 1.777 + 353LYS HB1 4977 -0.949 0.190 1.865 + 353LYS HB2 4978 -1.057 0.202 1.722 + 353LYS CG 4979 -1.023 0.390 1.824 + 353LYS HG1 4980 -1.042 0.454 1.735 + 353LYS HG2 4981 -0.946 0.439 1.887 + 353LYS CD 4982 -1.152 0.375 1.906 + 353LYS HD1 4983 -1.127 0.315 1.997 + 353LYS HD2 4984 -1.225 0.317 1.845 + 353LYS CE 4985 -1.214 0.508 1.946 + 353LYS HE1 4986 -1.250 0.562 1.856 + 353LYS HE2 4987 -1.140 0.572 1.998 + 353LYS NZ 4988 -1.329 0.484 2.036 + 353LYS HZ1 4989 -1.298 0.443 2.127 + 353LYS HZ2 4990 -1.394 0.418 1.988 + 353LYS HZ3 4991 -1.378 0.574 2.052 + 353LYS C 4992 -0.738 0.335 1.741 + 353LYS O 4993 -0.729 0.458 1.726 + 354LYS N 4994 -0.646 0.267 1.811 + 354LYS HN 4995 -0.655 0.168 1.818 + 354LYS CA 4996 -0.521 0.323 1.860 + 354LYS HA 4997 -0.546 0.408 1.921 + 354LYS CB 4998 -0.444 0.219 1.944 + 354LYS HB1 4999 -0.351 0.266 1.984 + 354LYS HB2 5000 -0.414 0.135 1.878 + 354LYS CG 5001 -0.525 0.162 2.061 + 354LYS HG1 5002 -0.620 0.117 2.022 + 354LYS HG2 5003 -0.553 0.243 2.131 + 354LYS CD 5004 -0.448 0.051 2.134 + 354LYS HD1 5005 -0.354 0.094 2.175 + 354LYS HD2 5006 -0.420 -0.025 2.058 + 354LYS CE 5007 -0.529 -0.015 2.246 + 354LYS HE1 5008 -0.624 -0.055 2.205 + 354LYS HE2 5009 -0.551 0.059 2.326 + 354LYS NZ 5010 -0.453 -0.128 2.305 + 354LYS HZ1 5011 -0.355 -0.097 2.329 + 354LYS HZ2 5012 -0.445 -0.203 2.232 + 354LYS HZ3 5013 -0.499 -0.168 2.389 + 354LYS C 5014 -0.431 0.373 1.748 + 354LYS O 5015 -0.373 0.483 1.759 + 355ALA N 5016 -0.419 0.299 1.637 + 355ALA HN 5017 -0.472 0.214 1.625 + 355ALA CA 5018 -0.344 0.337 1.518 + 355ALA HA 5019 -0.242 0.359 1.548 + 355ALA CB 5020 -0.343 0.223 1.415 + 355ALA HB1 5021 -0.444 0.204 1.373 + 355ALA HB2 5022 -0.307 0.129 1.462 + 355ALA HB3 5023 -0.275 0.247 1.331 + 355ALA C 5024 -0.399 0.464 1.455 + 355ALA O 5025 -0.325 0.558 1.425 + 356THR N 5026 -0.532 0.474 1.442 + 356THR HN 5027 -0.591 0.396 1.466 + 356THR CA 5028 -0.598 0.590 1.383 + 356THR HA 5029 -0.539 0.620 1.297 + 356THR CB 5030 -0.740 0.561 1.335 + 356THR HB 5031 -0.789 0.654 1.297 + 356THR OG1 5032 -0.821 0.504 1.437 + 356THR HG1 5033 -0.818 0.563 1.513 + 356THR CG2 5034 -0.734 0.461 1.219 + 356THR HG21 5035 -0.690 0.364 1.252 + 356THR HG22 5036 -0.672 0.500 1.136 + 356THR HG23 5037 -0.836 0.440 1.180 + 356THR C 5038 -0.602 0.709 1.476 + 356THR O 5039 -0.626 0.823 1.433 + 357SER N 5040 -0.582 0.687 1.607 + 357SER HN 5041 -0.570 0.593 1.638 + 357SER CA 5042 -0.569 0.793 1.708 + 357SER HA 5043 -0.638 0.872 1.685 + 357SER CB 5044 -0.593 0.744 1.853 + 357SER HB1 5045 -0.582 0.829 1.924 + 357SER HB2 5046 -0.519 0.665 1.880 + 357SER OG 5047 -0.725 0.691 1.868 + 357SER HG1 5048 -0.729 0.610 1.814 + 357SER C 5049 -0.430 0.852 1.709 + 357SER O 5050 -0.409 0.966 1.755 + 358GLY N 5051 -0.330 0.776 1.661 + 358GLY HN 5052 -0.350 0.684 1.628 + 358GLY CA 5053 -0.194 0.822 1.638 + 358GLY HA1 5054 -0.130 0.736 1.643 + 358GLY HA2 5055 -0.169 0.899 1.710 + 358GLY C 5056 -0.176 0.884 1.502 + 358GLY O 5057 -0.272 0.931 1.439 + 359GLY N 5058 -0.051 0.888 1.455 + 359GLY HN 5059 0.025 0.854 1.509 + 359GLY CA 5060 -0.018 0.928 1.319 + 359GLY HA1 5061 0.078 0.978 1.322 + 359GLY HA2 5062 -0.096 0.989 1.277 + 359GLY C 5063 -0.000 0.806 1.234 + 359GLY O 5064 0.037 0.700 1.279 + 360MET N 5065 -0.029 0.824 1.104 + 360MET HN 5066 -0.065 0.910 1.069 + 360MET CA 5067 -0.005 0.723 1.004 + 360MET HA 5068 0.078 0.661 1.035 + 360MET CB 5069 -0.131 0.637 0.976 + 360MET HB1 5070 -0.100 0.554 0.908 + 360MET HB2 5071 -0.208 0.699 0.924 + 360MET CG 5072 -0.198 0.575 1.101 + 360MET HG1 5073 -0.233 0.658 1.166 + 360MET HG2 5074 -0.121 0.520 1.158 + 360MET SD 5075 -0.340 0.465 1.066 + 360MET CE 5076 -0.248 0.319 1.010 + 360MET HE1 5077 -0.182 0.279 1.090 + 360MET HE2 5078 -0.184 0.342 0.923 + 360MET HE3 5079 -0.317 0.237 0.980 + 360MET C 5080 0.037 0.797 0.879 + 360MET O 5081 -0.017 0.904 0.846 + 361VAL N 5082 0.136 0.742 0.807 + 361VAL HN 5083 0.174 0.654 0.836 + 361VAL CA 5084 0.196 0.800 0.689 + 361VAL HA 5085 0.188 0.908 0.694 + 361VAL CB 5086 0.343 0.762 0.678 + 361VAL HB 5087 0.354 0.651 0.686 + 361VAL CG1 5088 0.406 0.808 0.544 + 361VAL HG11 5089 0.388 0.916 0.527 + 361VAL HG12 5090 0.364 0.750 0.459 + 361VAL HG13 5091 0.516 0.789 0.546 + 361VAL CG2 5092 0.418 0.827 0.797 + 361VAL HG21 5093 0.382 0.788 0.894 + 361VAL HG22 5094 0.403 0.937 0.798 + 361VAL HG23 5095 0.527 0.806 0.791 + 361VAL C 5096 0.119 0.753 0.567 + 361VAL O 5097 0.093 0.634 0.550 + 362LEU N 5098 0.076 0.847 0.480 + 362LEU HN 5099 0.094 0.943 0.500 + 362LEU CA 5100 0.013 0.816 0.353 + 362LEU HA 5101 -0.067 0.746 0.372 + 362LEU CB 5102 -0.045 0.944 0.287 + 362LEU HB1 5103 0.038 1.017 0.275 + 362LEU HB2 5104 -0.119 0.989 0.357 + 362LEU CG 5105 -0.113 0.927 0.149 + 362LEU HG 5106 -0.039 0.884 0.077 + 362LEU CD1 5107 -0.233 0.832 0.154 + 362LEU HD11 5108 -0.310 0.869 0.225 + 362LEU HD12 5109 -0.203 0.730 0.185 + 362LEU HD13 5110 -0.279 0.824 0.053 + 362LEU CD2 5111 -0.158 1.062 0.093 + 362LEU HD21 5112 -0.071 1.129 0.079 + 362LEU HD22 5113 -0.231 1.110 0.162 + 362LEU HD23 5114 -0.207 1.047 -0.006 + 362LEU C 5115 0.108 0.749 0.255 + 362LEU O 5116 0.218 0.798 0.229 + 363VAL N 5117 0.063 0.637 0.196 + 363VAL HN 5118 -0.026 0.598 0.220 + 363VAL CA 5119 0.136 0.558 0.100 + 363VAL HA 5120 0.229 0.608 0.076 + 363VAL CB 5121 0.166 0.417 0.148 + 363VAL HB 5122 0.074 0.354 0.145 + 363VAL CG1 5123 0.274 0.353 0.058 + 363VAL HG11 5124 0.361 0.421 0.046 + 363VAL HG12 5125 0.233 0.328 -0.042 + 363VAL HG13 5126 0.310 0.259 0.104 + 363VAL CG2 5127 0.212 0.418 0.295 + 363VAL HG21 5128 0.128 0.446 0.362 + 363VAL HG22 5129 0.296 0.488 0.312 + 363VAL HG23 5130 0.245 0.316 0.324 + 363VAL C 5131 0.052 0.552 -0.025 + 363VAL O 5132 -0.072 0.545 -0.020 + 364MET N 5133 0.115 0.556 -0.143 + 364MET HN 5134 0.215 0.564 -0.145 + 364MET CA 5135 0.048 0.536 -0.270 + 364MET HA 5136 -0.042 0.478 -0.255 + 364MET CB 5137 0.015 0.669 -0.343 + 364MET HB1 5138 -0.020 0.646 -0.447 + 364MET HB2 5139 0.109 0.728 -0.351 + 364MET CG 5140 -0.095 0.751 -0.274 + 364MET HG1 5141 -0.073 0.758 -0.165 + 364MET HG2 5142 -0.190 0.693 -0.283 + 364MET SD 5143 -0.119 0.919 -0.338 + 364MET CE 5144 0.027 0.991 -0.257 + 364MET HE1 5145 0.120 0.942 -0.292 + 364MET HE2 5146 0.022 0.977 -0.147 + 364MET HE3 5147 0.036 1.099 -0.278 + 364MET C 5148 0.141 0.451 -0.355 + 364MET O 5149 0.261 0.475 -0.361 + 365SER N 5150 0.087 0.346 -0.419 + 365SER HN 5151 -0.011 0.324 -0.412 + 365SER CA 5152 0.170 0.248 -0.486 + 365SER HA 5153 0.260 0.296 -0.520 + 365SER CB 5154 0.210 0.128 -0.394 + 365SER HB1 5155 0.263 0.169 -0.305 + 365SER HB2 5156 0.281 0.060 -0.446 + 365SER OG 5157 0.097 0.053 -0.349 + 365SER HG1 5158 0.131 -0.019 -0.292 + 365SER C 5159 0.102 0.195 -0.609 + 365SER O 5160 -0.016 0.221 -0.637 + 366LEU N 5161 0.179 0.122 -0.690 + 366LEU HN 5162 0.275 0.108 -0.668 + 366LEU CA 5163 0.128 0.044 -0.800 + 366LEU HA 5164 0.026 0.015 -0.781 + 366LEU CB 5165 0.142 0.121 -0.934 + 366LEU HB1 5166 0.248 0.153 -0.947 + 366LEU HB2 5167 0.080 0.213 -0.926 + 366LEU CG 5168 0.099 0.044 -1.061 + 366LEU HG 5169 0.167 -0.044 -1.074 + 366LEU CD1 5170 -0.045 -0.009 -1.053 + 366LEU HD11 5171 -0.116 0.074 -1.036 + 366LEU HD12 5172 -0.056 -0.082 -0.970 + 366LEU HD13 5173 -0.072 -0.061 -1.147 + 366LEU CD2 5174 0.114 0.133 -1.185 + 366LEU HD21 5175 0.219 0.170 -1.194 + 366LEU HD22 5176 0.047 0.221 -1.178 + 366LEU HD23 5177 0.088 0.077 -1.277 + 366LEU C 5178 0.215 -0.079 -0.801 + 366LEU O 5179 0.336 -0.069 -0.791 + 367TRP N 5180 0.153 -0.199 -0.809 + 367TRP HN 5181 0.054 -0.208 -0.812 + 367TRP CA 5182 0.227 -0.322 -0.796 + 367TRP HA 5183 0.321 -0.313 -0.850 + 367TRP CB 5184 0.257 -0.356 -0.646 + 367TRP HB1 5185 0.318 -0.273 -0.604 + 367TRP HB2 5186 0.321 -0.447 -0.641 + 367TRP CG 5187 0.139 -0.376 -0.555 + 367TRP CD1 5188 0.055 -0.279 -0.506 + 367TRP HD1 5189 0.059 -0.174 -0.533 + 367TRP NE1 5190 -0.033 -0.334 -0.415 + 367TRP HE1 5191 -0.090 -0.288 -0.350 + 367TRP CE2 5192 -0.008 -0.468 -0.404 + 367TRP CD2 5193 0.100 -0.499 -0.489 + 367TRP CE3 5194 0.150 -0.629 -0.491 + 367TRP HE3 5195 0.235 -0.656 -0.551 + 367TRP CZ3 5196 0.090 -0.725 -0.409 + 367TRP HZ3 5197 0.128 -0.827 -0.407 + 367TRP CZ2 5198 -0.068 -0.563 -0.322 + 367TRP HZ2 5199 -0.147 -0.536 -0.254 + 367TRP CH2 5200 -0.017 -0.692 -0.326 + 367TRP HH2 5201 -0.059 -0.769 -0.261 + 367TRP C 5202 0.151 -0.434 -0.862 + 367TRP O 5203 0.030 -0.423 -0.889 + 368ASP N 5204 0.220 -0.544 -0.891 + 368ASP HN 5205 0.320 -0.551 -0.884 + 368ASP CA 5206 0.164 -0.672 -0.927 + 368ASP HA 5207 0.057 -0.668 -0.912 + 368ASP CB 5208 0.190 -0.710 -1.075 + 368ASP HB1 5209 0.148 -0.631 -1.140 + 368ASP HB2 5210 0.138 -0.805 -1.099 + 368ASP CG 5211 0.337 -0.726 -1.112 + 368ASP OD1 5212 0.425 -0.680 -1.040 + 368ASP OD2 5213 0.356 -0.783 -1.226 + 368ASP C 5214 0.219 -0.772 -0.825 + 368ASP O 5215 0.317 -0.751 -0.757 + 369ASP N 5216 0.144 -0.885 -0.810 + 369ASP HN 5217 0.068 -0.902 -0.871 + 369ASP CA 5218 0.164 -0.977 -0.701 + 369ASP HA 5219 0.225 -0.930 -0.624 + 369ASP CB 5220 0.027 -1.011 -0.639 + 369ASP HB1 5221 -0.038 -1.052 -0.719 + 369ASP HB2 5222 -0.020 -0.918 -0.601 + 369ASP CG 5223 0.023 -1.112 -0.526 + 369ASP OD1 5224 0.133 -1.168 -0.488 + 369ASP OD2 5225 -0.086 -1.148 -0.484 + 369ASP C 5226 0.242 -1.099 -0.747 + 369ASP O 5227 0.198 -1.177 -0.838 + 370TYR N 5228 0.355 -1.126 -0.685 + 370TYR HN 5229 0.378 -1.067 -0.606 + 370TYR CA 5230 0.446 -1.235 -0.715 + 370TYR HA 5231 0.429 -1.268 -0.817 + 370TYR CB 5232 0.593 -1.188 -0.698 + 370TYR HB1 5233 0.662 -1.272 -0.675 + 370TYR HB2 5234 0.600 -1.116 -0.614 + 370TYR CG 5235 0.645 -1.121 -0.823 + 370TYR CD1 5236 0.619 -0.986 -0.852 + 370TYR HD1 5237 0.553 -0.929 -0.788 + 370TYR CE1 5238 0.675 -0.924 -0.965 + 370TYR HE1 5239 0.652 -0.821 -0.987 + 370TYR CZ 5240 0.760 -0.997 -1.049 + 370TYR OH 5241 0.821 -0.934 -1.161 + 370TYR HH 5242 0.760 -0.867 -1.197 + 370TYR CD2 5243 0.728 -1.194 -0.911 + 370TYR HD2 5244 0.748 -1.298 -0.892 + 370TYR CE2 5245 0.785 -1.132 -1.023 + 370TYR HE2 5246 0.848 -1.189 -1.090 + 370TYR C 5247 0.422 -1.357 -0.629 + 370TYR O 5248 0.497 -1.456 -0.637 + 371TYR N 5249 0.318 -1.357 -0.544 + 371TYR HN 5250 0.259 -1.274 -0.535 + 371TYR CA 5251 0.293 -1.462 -0.447 + 371TYR HA 5252 0.363 -1.543 -0.462 + 371TYR CB 5253 0.308 -1.407 -0.303 + 371TYR HB1 5254 0.271 -1.480 -0.227 + 371TYR HB2 5255 0.251 -1.312 -0.291 + 371TYR CG 5256 0.454 -1.381 -0.275 + 371TYR CD1 5257 0.513 -1.260 -0.313 + 371TYR HD1 5258 0.453 -1.186 -0.363 + 371TYR CE1 5259 0.649 -1.236 -0.290 + 371TYR HE1 5260 0.693 -1.142 -0.320 + 371TYR CZ 5261 0.727 -1.334 -0.229 + 371TYR OH 5262 0.864 -1.309 -0.208 + 371TYR HH 5263 0.901 -1.383 -0.161 + 371TYR CD2 5264 0.533 -1.479 -0.213 + 371TYR HD2 5265 0.487 -1.572 -0.185 + 371TYR CE2 5266 0.669 -1.456 -0.190 + 371TYR HE2 5267 0.729 -1.531 -0.142 + 371TYR C 5268 0.157 -1.525 -0.460 + 371TYR O 5269 0.145 -1.648 -0.442 + 372ALA N 5270 0.052 -1.448 -0.489 + 372ALA HN 5271 0.062 -1.346 -0.488 + 372ALA CA 5272 -0.081 -1.502 -0.507 + 372ALA HA 5273 -0.077 -1.610 -0.515 + 372ALA CB 5274 -0.168 -1.462 -0.386 + 372ALA HB1 5275 -0.171 -1.352 -0.377 + 372ALA HB2 5276 -0.122 -1.502 -0.294 + 372ALA HB3 5277 -0.271 -1.502 -0.396 + 372ALA C 5278 -0.146 -1.454 -0.635 + 372ALA O 5279 -0.258 -1.498 -0.668 + 373ASN N 5280 -0.082 -1.364 -0.711 + 373ASN HN 5281 0.001 -1.322 -0.673 + 373ASN CA 5282 -0.120 -1.321 -0.845 + 373ASN HA 5283 -0.040 -1.257 -0.880 + 373ASN CB 5284 -0.134 -1.439 -0.945 + 373ASN HB1 5285 -0.159 -1.401 -1.046 + 373ASN HB2 5286 -0.216 -1.507 -0.915 + 373ASN CG 5287 -0.007 -1.523 -0.956 + 373ASN OD1 5288 -0.012 -1.647 -0.973 + 373ASN ND2 5289 0.112 -1.461 -0.942 + 373ASN HD21 5290 0.115 -1.362 -0.923 + 373ASN HD22 5291 0.195 -1.515 -0.944 + 373ASN C 5292 -0.240 -1.227 -0.844 + 373ASN O 5293 -0.303 -1.204 -0.948 + 374MET N 5294 -0.273 -1.170 -0.727 + 374MET HN 5295 -0.215 -1.188 -0.646 + 374MET CA 5296 -0.376 -1.070 -0.704 + 374MET HA 5297 -0.360 -1.033 -0.604 + 374MET CB 5298 -0.366 -0.949 -0.802 + 374MET HB1 5299 -0.433 -0.965 -0.889 + 374MET HB2 5300 -0.262 -0.944 -0.841 + 374MET CG 5301 -0.400 -0.814 -0.735 + 374MET HG1 5302 -0.500 -0.824 -0.688 + 374MET HG2 5303 -0.409 -0.737 -0.814 + 374MET SD 5304 -0.279 -0.761 -0.610 + 374MET CE 5305 -0.152 -0.706 -0.728 + 374MET HE1 5306 -0.191 -0.628 -0.796 + 374MET HE2 5307 -0.115 -0.790 -0.790 + 374MET HE3 5308 -0.064 -0.662 -0.674 + 374MET C 5309 -0.515 -1.132 -0.705 + 374MET O 5310 -0.618 -1.066 -0.703 + 375LEU N 5311 -0.521 -1.267 -0.697 + 375LEU HN 5312 -0.436 -1.319 -0.695 + 375LEU CA 5313 -0.644 -1.342 -0.714 + 375LEU HA 5314 -0.697 -1.303 -0.800 + 375LEU CB 5315 -0.611 -1.492 -0.734 + 375LEU HB1 5316 -0.704 -1.553 -0.741 + 375LEU HB2 5317 -0.553 -1.526 -0.645 + 375LEU CG 5318 -0.524 -1.524 -0.858 + 375LEU HG 5319 -0.432 -1.460 -0.854 + 375LEU CD1 5320 -0.478 -1.671 -0.856 + 375LEU HD11 5321 -0.566 -1.738 -0.864 + 375LEU HD12 5322 -0.423 -1.693 -0.762 + 375LEU HD13 5323 -0.411 -1.690 -0.942 + 375LEU CD2 5324 -0.595 -1.493 -0.991 + 375LEU HD21 5325 -0.622 -1.385 -0.996 + 375LEU HD22 5326 -0.687 -1.554 -1.001 + 375LEU HD23 5327 -0.527 -1.516 -1.076 + 375LEU C 5328 -0.735 -1.327 -0.594 + 375LEU O 5329 -0.857 -1.349 -0.600 + 376TRP N 5330 -0.679 -1.283 -0.480 + 376TRP HN 5331 -0.582 -1.259 -0.481 + 376TRP CA 5332 -0.749 -1.254 -0.357 + 376TRP HA 5333 -0.818 -1.334 -0.338 + 376TRP CB 5334 -0.650 -1.245 -0.238 + 376TRP HB1 5335 -0.607 -1.346 -0.223 + 376TRP HB2 5336 -0.705 -1.219 -0.145 + 376TRP CG 5337 -0.537 -1.148 -0.257 + 376TRP CD1 5338 -0.413 -1.177 -0.308 + 376TRP HD1 5339 -0.379 -1.277 -0.334 + 376TRP NE1 5340 -0.340 -1.062 -0.323 + 376TRP HE1 5341 -0.249 -1.055 -0.361 + 376TRP CE2 5342 -0.416 -0.956 -0.280 + 376TRP CD2 5343 -0.540 -1.006 -0.236 + 376TRP CE3 5344 -0.637 -0.918 -0.186 + 376TRP HE3 5345 -0.732 -0.953 -0.147 + 376TRP CZ3 5346 -0.609 -0.781 -0.186 + 376TRP HZ3 5347 -0.683 -0.711 -0.149 + 376TRP CZ2 5348 -0.388 -0.820 -0.279 + 376TRP HZ2 5349 -0.294 -0.781 -0.315 + 376TRP CH2 5350 -0.488 -0.734 -0.235 + 376TRP HH2 5351 -0.472 -0.627 -0.240 + 376TRP C 5352 -0.832 -1.126 -0.369 + 376TRP O 5353 -0.929 -1.110 -0.295 + 377LEU N 5354 -0.799 -1.038 -0.466 + 377LEU HN 5355 -0.722 -1.057 -0.527 + 377LEU CA 5356 -0.867 -0.913 -0.489 + 377LEU HA 5357 -0.915 -0.880 -0.398 + 377LEU CB 5358 -0.766 -0.806 -0.537 + 377LEU HB1 5359 -0.713 -0.843 -0.628 + 377LEU HB2 5360 -0.689 -0.793 -0.458 + 377LEU CG 5361 -0.824 -0.666 -0.572 + 377LEU HG 5362 -0.895 -0.677 -0.657 + 377LEU CD1 5363 -0.901 -0.604 -0.454 + 377LEU HD11 5364 -0.834 -0.592 -0.366 + 377LEU HD12 5365 -0.987 -0.667 -0.425 + 377LEU HD13 5366 -0.939 -0.503 -0.482 + 377LEU CD2 5367 -0.712 -0.571 -0.618 + 377LEU HD21 5368 -0.658 -0.613 -0.706 + 377LEU HD22 5369 -0.639 -0.554 -0.536 + 377LEU HD23 5370 -0.755 -0.473 -0.647 + 377LEU C 5371 -0.974 -0.931 -0.596 + 377LEU O 5372 -1.088 -0.889 -0.579 + 378ASP N 5373 -0.937 -0.992 -0.711 + 378ASP HN 5374 -0.845 -1.029 -0.723 + 378ASP CA 5375 -1.015 -0.979 -0.833 + 378ASP HA 5376 -1.106 -0.925 -0.812 + 378ASP CB 5377 -0.931 -0.895 -0.934 + 378ASP HB1 5378 -0.900 -0.802 -0.882 + 378ASP HB2 5379 -0.996 -0.866 -1.019 + 378ASP CG 5380 -0.805 -0.958 -0.992 + 378ASP OD1 5381 -0.788 -1.084 -0.977 + 378ASP OD2 5382 -0.730 -0.885 -1.058 + 378ASP C 5383 -1.061 -1.112 -0.890 + 378ASP O 5384 -1.125 -1.116 -0.999 + 379SER N 5385 -1.041 -1.225 -0.822 + 379SER HN 5386 -0.995 -1.222 -0.733 + 379SER CA 5387 -1.065 -1.355 -0.881 + 379SER HA 5388 -1.140 -1.347 -0.959 + 379SER CB 5389 -0.936 -1.416 -0.942 + 379SER HB1 5390 -0.865 -1.444 -0.861 + 379SER HB2 5391 -0.885 -1.338 -1.003 + 379SER OG 5392 -0.963 -1.530 -1.025 + 379SER HG1 5393 -1.006 -1.496 -1.106 + 379SER C 5394 -1.125 -1.446 -0.774 + 379SER O 5395 -1.164 -1.408 -0.668 + 380THR N 5396 -1.137 -1.577 -0.811 + 380THR HN 5397 -1.099 -1.602 -0.899 + 380THR CA 5398 -1.172 -1.681 -0.715 + 380THR HA 5399 -1.237 -1.639 -0.640 + 380THR CB 5400 -1.242 -1.800 -0.779 + 380THR HB 5401 -1.172 -1.856 -0.845 + 380THR OG1 5402 -1.349 -1.755 -0.861 + 380THR HG1 5403 -1.318 -1.672 -0.900 + 380THR CG2 5404 -1.299 -1.894 -0.672 + 380THR HG21 5405 -1.365 -1.839 -0.602 + 380THR HG22 5406 -1.217 -1.940 -0.612 + 380THR HG23 5407 -1.357 -1.976 -0.718 + 380THR C 5408 -1.046 -1.728 -0.647 + 380THR O 5409 -0.950 -1.772 -0.715 + 381TYR N 5410 -1.039 -1.720 -0.515 + 381TYR HN 5411 -1.119 -1.688 -0.462 + 381TYR CA 5412 -0.921 -1.751 -0.439 + 381TYR HA 5413 -0.859 -1.817 -0.497 + 381TYR CB 5414 -0.839 -1.623 -0.409 + 381TYR HB1 5415 -0.896 -1.554 -0.344 + 381TYR HB2 5416 -0.820 -1.572 -0.505 + 381TYR CG 5417 -0.705 -1.653 -0.346 + 381TYR CD1 5418 -0.599 -1.696 -0.427 + 381TYR HD1 5419 -0.614 -1.709 -0.533 + 381TYR CE1 5420 -0.472 -1.720 -0.372 + 381TYR HE1 5421 -0.390 -1.749 -0.437 + 381TYR CZ 5422 -0.451 -1.704 -0.235 + 381TYR OH 5423 -0.324 -1.731 -0.180 + 381TYR HH 5424 -0.264 -1.745 -0.253 + 381TYR CD2 5425 -0.683 -1.636 -0.208 + 381TYR HD2 5426 -0.763 -1.602 -0.145 + 381TYR CE2 5427 -0.557 -1.664 -0.153 + 381TYR HE2 5428 -0.543 -1.653 -0.047 + 381TYR C 5429 -0.965 -1.816 -0.307 + 381TYR O 5430 -1.054 -1.768 -0.243 + 382PRO N 5431 -0.900 -1.926 -0.265 + 382PRO CD 5432 -0.922 -1.969 -0.126 + 382PRO HD1 5433 -1.025 -2.009 -0.119 + 382PRO HD2 5434 -0.908 -1.884 -0.055 + 382PRO CA 5435 -0.825 -2.025 -0.340 + 382PRO HA 5436 -0.730 -1.978 -0.364 + 382PRO CB 5437 -0.808 -2.143 -0.243 + 382PRO HB1 5438 -0.713 -2.197 -0.259 + 382PRO HB2 5439 -0.892 -2.215 -0.255 + 382PRO CG 5440 -0.818 -2.079 -0.105 + 382PRO HG1 5441 -0.850 -2.150 -0.026 + 382PRO HG2 5442 -0.722 -2.032 -0.076 + 382PRO C 5443 -0.881 -2.068 -0.474 + 382PRO O 5444 -1.003 -2.063 -0.495 + 383THR N 5445 -0.796 -2.108 -0.568 + 383THR HN 5446 -0.698 -2.120 -0.551 + 383THR CA 5447 -0.832 -2.134 -0.707 + 383THR HA 5448 -0.899 -2.055 -0.740 + 383THR CB 5449 -0.710 -2.134 -0.797 + 383THR HB 5450 -0.735 -2.167 -0.901 + 383THR OG1 5451 -0.608 -2.217 -0.741 + 383THR HG1 5452 -0.540 -2.231 -0.808 + 383THR CG2 5453 -0.654 -1.992 -0.802 + 383THR HG21 5454 -0.619 -1.959 -0.701 + 383THR HG22 5455 -0.731 -1.920 -0.836 + 383THR HG23 5456 -0.567 -1.985 -0.870 + 383THR C 5457 -0.907 -2.264 -0.726 + 383THR O 5458 -0.971 -2.286 -0.829 + 384ASN N 5459 -0.904 -2.352 -0.624 + 384ASN HN 5460 -0.849 -2.333 -0.543 + 384ASN CA 5461 -0.975 -2.478 -0.624 + 384ASN HA 5462 -0.993 -2.509 -0.726 + 384ASN CB 5463 -0.892 -2.588 -0.552 + 384ASN HB1 5464 -0.794 -2.597 -0.604 + 384ASN HB2 5465 -0.944 -2.686 -0.561 + 384ASN CG 5466 -0.865 -2.558 -0.405 + 384ASN OD1 5467 -0.793 -2.458 -0.374 + 384ASN ND2 5468 -0.916 -2.637 -0.313 + 384ASN HD21 5469 -0.904 -2.613 -0.216 + 384ASN HD22 5470 -0.975 -2.714 -0.339 + 384ASN C 5471 -1.111 -2.463 -0.559 + 384ASN O 5472 -1.189 -2.560 -0.558 + 385GLU N 5473 -1.147 -2.344 -0.508 + 385GLU HN 5474 -1.087 -2.264 -0.514 + 385GLU CA 5475 -1.278 -2.318 -0.453 + 385GLU HA 5476 -1.312 -2.409 -0.405 + 385GLU CB 5477 -1.280 -2.207 -0.345 + 385GLU HB1 5478 -1.384 -2.184 -0.315 + 385GLU HB2 5479 -1.237 -2.114 -0.389 + 385GLU CG 5480 -1.202 -2.244 -0.216 + 385GLU HG1 5481 -1.195 -2.154 -0.152 + 385GLU HG2 5482 -1.100 -2.277 -0.241 + 385GLU CD 5483 -1.268 -2.352 -0.130 + 385GLU OE1 5484 -1.383 -2.395 -0.166 + 385GLU OE2 5485 -1.210 -2.387 -0.025 + 385GLU C 5486 -1.380 -2.289 -0.559 + 385GLU O 5487 -1.349 -2.254 -0.677 + 386THR N 5488 -1.507 -2.302 -0.525 + 386THR HN 5489 -1.526 -2.324 -0.429 + 386THR CA 5490 -1.620 -2.286 -0.615 + 386THR HA 5491 -1.584 -2.274 -0.716 + 386THR CB 5492 -1.718 -2.403 -0.612 + 386THR HB 5493 -1.794 -2.391 -0.692 + 386THR OG1 5494 -1.787 -2.414 -0.487 + 386THR HG1 5495 -1.718 -2.406 -0.419 + 386THR CG2 5496 -1.642 -2.533 -0.640 + 386THR HG21 5497 -1.569 -2.556 -0.560 + 386THR HG22 5498 -1.586 -2.524 -0.736 + 386THR HG23 5499 -1.712 -2.619 -0.649 + 386THR C 5500 -1.692 -2.157 -0.576 + 386THR O 5501 -1.666 -2.094 -0.480 + 387SER N 5502 -1.796 -2.121 -0.659 + 387SER HN 5503 -1.816 -2.168 -0.742 + 387SER CA 5504 -1.879 -2.007 -0.627 + 387SER HA 5505 -1.817 -1.927 -0.588 + 387SER CB 5506 -1.952 -1.957 -0.754 + 387SER HB1 5507 -1.873 -1.925 -0.827 + 387SER HB2 5508 -2.014 -1.867 -0.732 + 387SER OG 5509 -2.031 -2.060 -0.816 + 387SER HG1 5510 -2.089 -2.099 -0.750 + 387SER C 5511 -1.985 -2.035 -0.522 + 387SER O 5512 -2.057 -1.948 -0.479 + 388SER N 5513 -1.998 -2.165 -0.481 + 388SER HN 5514 -1.939 -2.236 -0.517 + 388SER CA 5515 -2.087 -2.201 -0.371 + 388SER HA 5516 -2.172 -2.135 -0.373 + 388SER CB 5517 -2.144 -2.346 -0.384 + 388SER HB1 5518 -2.191 -2.357 -0.484 + 388SER HB2 5519 -2.224 -2.358 -0.307 + 388SER OG 5520 -2.048 -2.450 -0.364 + 388SER HG1 5521 -1.974 -2.439 -0.426 + 388SER C 5522 -2.021 -2.183 -0.235 + 388SER O 5523 -2.086 -2.177 -0.134 + 389THR N 5524 -1.886 -2.171 -0.236 + 389THR HN 5525 -1.834 -2.173 -0.320 + 389THR CA 5526 -1.806 -2.150 -0.116 + 389THR HA 5527 -1.845 -2.216 -0.040 + 389THR CB 5528 -1.659 -2.187 -0.136 + 389THR HB 5529 -1.612 -2.119 -0.209 + 389THR OG1 5530 -1.643 -2.320 -0.187 + 389THR HG1 5531 -1.549 -2.344 -0.172 + 389THR CG2 5532 -1.584 -2.181 -0.002 + 389THR HG21 5533 -1.633 -2.245 0.075 + 389THR HG22 5534 -1.580 -2.077 0.037 + 389THR HG23 5535 -1.479 -2.216 -0.013 + 389THR C 5536 -1.815 -2.003 -0.071 + 389THR O 5537 -1.782 -1.916 -0.153 + 390PRO N 5538 -1.859 -1.967 0.050 + 390PRO CD 5539 -1.912 -2.059 0.151 + 390PRO HD1 5540 -1.826 -2.103 0.206 + 390PRO HD2 5541 -1.975 -2.138 0.106 + 390PRO CA 5542 -1.873 -1.827 0.093 + 390PRO HA 5543 -1.947 -1.782 0.030 + 390PRO CB 5544 -1.920 -1.837 0.239 + 390PRO HB1 5545 -1.982 -1.750 0.269 + 390PRO HB2 5546 -1.833 -1.844 0.308 + 390PRO CG 5547 -1.996 -1.970 0.243 + 390PRO HG1 5548 -2.004 -2.011 0.346 + 390PRO HG2 5549 -2.097 -1.958 0.199 + 390PRO C 5550 -1.748 -1.742 0.081 + 390PRO O 5551 -1.645 -1.774 0.140 + 391GLY N 5552 -1.753 -1.631 0.004 + 391GLY HN 5553 -1.837 -1.609 -0.045 + 391GLY CA 5554 -1.645 -1.533 -0.003 + 391GLY HA1 5555 -1.612 -1.511 0.097 + 391GLY HA2 5556 -1.683 -1.446 -0.053 + 391GLY C 5557 -1.523 -1.579 -0.080 + 391GLY O 5558 -1.420 -1.512 -0.080 + 392ALA N 5559 -1.533 -1.695 -0.149 + 392ALA HN 5560 -1.614 -1.752 -0.139 + 392ALA CA 5561 -1.428 -1.747 -0.236 + 392ALA HA 5562 -1.336 -1.748 -0.180 + 392ALA CB 5563 -1.460 -1.891 -0.280 + 392ALA HB1 5564 -1.556 -1.896 -0.336 + 392ALA HB2 5565 -1.468 -1.957 -0.191 + 392ALA HB3 5566 -1.380 -1.930 -0.345 + 392ALA C 5567 -1.406 -1.662 -0.358 + 392ALA O 5568 -1.292 -1.641 -0.403 + 393VAL N 5569 -1.514 -1.609 -0.416 + 393VAL HN 5570 -1.604 -1.625 -0.374 + 393VAL CA 5571 -1.511 -1.528 -0.536 + 393VAL HA 5572 -1.423 -1.552 -0.593 + 393VAL CB 5573 -1.634 -1.551 -0.623 + 393VAL HB 5574 -1.726 -1.518 -0.571 + 393VAL CG1 5575 -1.618 -1.474 -0.756 + 393VAL HG11 5576 -1.526 -1.507 -0.809 + 393VAL HG12 5577 -1.611 -1.364 -0.739 + 393VAL HG13 5578 -1.705 -1.493 -0.822 + 393VAL CG2 5579 -1.651 -1.702 -0.651 + 393VAL HG21 5580 -1.671 -1.758 -0.558 + 393VAL HG22 5581 -1.558 -1.743 -0.698 + 393VAL HG23 5582 -1.735 -1.719 -0.721 + 393VAL C 5583 -1.506 -1.382 -0.494 + 393VAL O 5584 -1.591 -1.334 -0.425 + 394ARG N 5585 -1.399 -1.310 -0.540 + 394ARG HN 5586 -1.326 -1.351 -0.592 + 394ARG CA 5587 -1.381 -1.170 -0.505 + 394ARG HA 5588 -1.461 -1.135 -0.441 + 394ARG CB 5589 -1.245 -1.150 -0.433 + 394ARG HB1 5590 -1.239 -1.043 -0.400 + 394ARG HB2 5591 -1.161 -1.166 -0.504 + 394ARG CG 5592 -1.223 -1.239 -0.309 + 394ARG HG1 5593 -1.321 -1.270 -0.267 + 394ARG HG2 5594 -1.173 -1.177 -0.231 + 394ARG CD 5595 -1.135 -1.362 -0.336 + 394ARG HD1 5596 -1.033 -1.333 -0.370 + 394ARG HD2 5597 -1.181 -1.423 -0.418 + 394ARG NE 5598 -1.129 -1.449 -0.216 + 394ARG HE 5599 -1.177 -1.534 -0.214 + 394ARG CZ 5600 -1.047 -1.425 -0.106 + 394ARG NH1 5601 -0.975 -1.322 -0.094 + 394ARG HH11 5602 -0.984 -1.242 -0.155 + 394ARG HH12 5603 -0.932 -1.301 -0.003 + 394ARG NH2 5604 -1.044 -1.520 -0.015 + 394ARG HH21 5605 -1.088 -1.606 -0.029 + 394ARG HH22 5606 -0.977 -1.507 0.061 + 394ARG C 5607 -1.385 -1.081 -0.630 + 394ARG O 5608 -1.378 -0.961 -0.625 + 395GLY N 5609 -1.401 -1.144 -0.749 + 395GLY HN 5610 -1.407 -1.242 -0.756 + 395GLY CA 5611 -1.411 -1.067 -0.872 + 395GLY HA1 5612 -1.318 -1.016 -0.889 + 395GLY HA2 5613 -1.495 -0.999 -0.865 + 395GLY C 5614 -1.437 -1.156 -0.989 + 395GLY O 5615 -1.471 -1.276 -0.973 + 396SER N 5616 -1.426 -1.103 -1.110 + 396SER HN 5617 -1.397 -1.007 -1.120 + 396SER CA 5618 -1.461 -1.173 -1.233 + 396SER HA 5619 -1.515 -1.264 -1.208 + 396SER CB 5620 -1.553 -1.087 -1.324 + 396SER HB1 5621 -1.643 -1.060 -1.263 + 396SER HB2 5622 -1.587 -1.145 -1.412 + 396SER OG 5623 -1.492 -0.965 -1.367 + 396SER HG1 5624 -1.412 -0.989 -1.416 + 396SER C 5625 -1.340 -1.215 -1.312 + 396SER O 5626 -1.356 -1.277 -1.420 + 397CYS N 5627 -1.218 -1.186 -1.268 + 397CYS HN 5628 -1.204 -1.140 -1.179 + 397CYS CA 5629 -1.096 -1.230 -1.333 + 397CYS HA 5630 -1.105 -1.201 -1.437 + 397CYS CB 5631 -0.968 -1.163 -1.277 + 397CYS HB1 5632 -0.878 -1.201 -1.329 + 397CYS HB2 5633 -0.956 -1.189 -1.169 + 397CYS SG 5634 -0.972 -0.982 -1.294 + 397CYS C 5635 -1.076 -1.380 -1.331 + 397CYS O 5636 -1.115 -1.451 -1.238 + 398SER N 5637 -1.012 -1.433 -1.436 + 398SER HN 5638 -0.979 -1.372 -1.507 + 398SER CA 5639 -0.975 -1.574 -1.445 + 398SER HA 5640 -1.064 -1.633 -1.433 + 398SER CB 5641 -0.908 -1.608 -1.582 + 398SER HB1 5642 -0.811 -1.554 -1.589 + 398SER HB2 5643 -0.976 -1.567 -1.661 + 398SER OG 5644 -0.890 -1.749 -1.602 + 398SER HG1 5645 -0.810 -1.765 -1.655 + 398SER C 5646 -0.875 -1.613 -1.337 + 398SER O 5647 -0.788 -1.538 -1.301 + 399THR N 5648 -0.883 -1.740 -1.291 + 399THR HN 5649 -0.955 -1.802 -1.321 + 399THR CA 5650 -0.791 -1.796 -1.192 + 399THR HA 5651 -0.783 -1.725 -1.110 + 399THR CB 5652 -0.839 -1.929 -1.137 + 399THR HB 5653 -0.760 -1.979 -1.075 + 399THR OG1 5654 -0.882 -2.017 -1.241 + 399THR HG1 5655 -0.910 -2.097 -1.194 + 399THR CG2 5656 -0.959 -1.903 -1.045 + 399THR HG21 5657 -1.042 -1.855 -1.101 + 399THR HG22 5658 -0.929 -1.833 -0.964 + 399THR HG23 5659 -0.996 -1.996 -0.998 + 399THR C 5660 -0.650 -1.817 -1.244 + 399THR O 5661 -0.558 -1.849 -1.172 + 400SER N 5662 -0.635 -1.801 -1.378 + 400SER HN 5663 -0.715 -1.780 -1.431 + 400SER CA 5664 -0.508 -1.812 -1.448 + 400SER HA 5665 -0.437 -1.866 -1.387 + 400SER CB 5666 -0.531 -1.886 -1.583 + 400SER HB1 5667 -0.585 -1.981 -1.562 + 400SER HB2 5668 -0.432 -1.912 -1.627 + 400SER OG 5669 -0.607 -1.808 -1.678 + 400SER HG1 5670 -0.541 -1.745 -1.711 + 400SER C 5671 -0.450 -1.676 -1.479 + 400SER O 5672 -0.355 -1.665 -1.557 + 401SER N 5673 -0.509 -1.567 -1.428 + 401SER HN 5674 -0.582 -1.576 -1.360 + 401SER CA 5675 -0.464 -1.431 -1.456 + 401SER HA 5676 -0.414 -1.431 -1.552 + 401SER CB 5677 -0.580 -1.328 -1.467 + 401SER HB1 5678 -0.655 -1.365 -1.539 + 401SER HB2 5679 -0.541 -1.231 -1.504 + 401SER OG 5680 -0.646 -1.302 -1.343 + 401SER HG1 5681 -0.679 -1.385 -1.303 + 401SER C 5682 -0.361 -1.384 -1.355 + 401SER O 5683 -0.338 -1.446 -1.253 + 402GLY N 5684 -0.294 -1.271 -1.388 + 402GLY HN 5685 -0.308 -1.226 -1.475 + 402GLY CA 5686 -0.213 -1.198 -1.291 + 402GLY HA1 5687 -0.264 -1.196 -1.195 + 402GLY HA2 5688 -0.197 -1.100 -1.331 + 402GLY C 5689 -0.076 -1.254 -1.267 + 402GLY O 5690 -0.012 -1.225 -1.168 + 403VAL N 5691 -0.027 -1.337 -1.361 + 403VAL HN 5692 -0.085 -1.365 -1.436 + 403VAL CA 5693 0.110 -1.385 -1.361 + 403VAL HA 5694 0.131 -1.424 -1.263 + 403VAL CB 5695 0.129 -1.500 -1.460 + 403VAL HB 5696 0.096 -1.467 -1.562 + 403VAL CG1 5697 0.278 -1.542 -1.469 + 403VAL HG11 5698 0.316 -1.569 -1.368 + 403VAL HG12 5699 0.341 -1.462 -1.512 + 403VAL HG13 5700 0.287 -1.631 -1.535 + 403VAL CG2 5701 0.041 -1.619 -1.417 + 403VAL HG21 5702 -0.067 -1.592 -1.417 + 403VAL HG22 5703 0.068 -1.651 -1.314 + 403VAL HG23 5704 0.056 -1.704 -1.486 + 403VAL C 5705 0.205 -1.270 -1.395 + 403VAL O 5706 0.192 -1.220 -1.509 + 404PRO N 5707 0.296 -1.223 -1.309 + 404PRO CD 5708 0.319 -1.280 -1.175 + 404PRO HD1 5709 0.373 -1.376 -1.183 + 404PRO HD2 5710 0.223 -1.294 -1.120 + 404PRO CA 5711 0.377 -1.103 -1.328 + 404PRO HA 5712 0.311 -1.018 -1.314 + 404PRO CB 5713 0.480 -1.108 -1.216 + 404PRO HB1 5714 0.513 -1.005 -1.188 + 404PRO HB2 5715 0.569 -1.169 -1.242 + 404PRO CG 5716 0.403 -1.176 -1.102 + 404PRO HG1 5717 0.470 -1.220 -1.026 + 404PRO HG2 5718 0.337 -1.100 -1.054 + 404PRO C 5719 0.438 -1.083 -1.465 + 404PRO O 5720 0.410 -0.985 -1.533 + 405ALA N 5721 0.514 -1.183 -1.513 + 405ALA HN 5722 0.533 -1.261 -1.453 + 405ALA CA 5723 0.583 -1.176 -1.640 + 405ALA HA 5724 0.649 -1.090 -1.634 + 405ALA CB 5725 0.663 -1.306 -1.664 + 405ALA HB1 5726 0.596 -1.394 -1.664 + 405ALA HB2 5727 0.738 -1.319 -1.582 + 405ALA HB3 5728 0.716 -1.302 -1.760 + 405ALA C 5729 0.489 -1.154 -1.757 + 405ALA O 5730 0.520 -1.079 -1.852 + 406GLN N 5731 0.373 -1.222 -1.756 + 406GLN HN 5732 0.350 -1.276 -1.675 + 406GLN CA 5733 0.269 -1.206 -1.854 + 406GLN HA 5734 0.315 -1.214 -1.951 + 406GLN CB 5735 0.163 -1.318 -1.842 + 406GLN HB1 5736 0.115 -1.314 -1.742 + 406GLN HB2 5737 0.218 -1.415 -1.848 + 406GLN CG 5738 0.054 -1.312 -1.952 + 406GLN HG1 5739 0.104 -1.303 -2.051 + 406GLN HG2 5740 -0.012 -1.224 -1.936 + 406GLN CD 5741 -0.033 -1.438 -1.951 + 406GLN OE1 5742 -0.049 -1.509 -1.853 + 406GLN NE2 5743 -0.095 -1.469 -2.069 + 406GLN HE21 5744 -0.075 -1.412 -2.151 + 406GLN HE22 5745 -0.143 -1.554 -2.072 + 406GLN C 5746 0.201 -1.069 -1.851 + 406GLN O 5747 0.184 -1.007 -1.957 + 407VAL N 5748 0.163 -1.017 -1.733 + 407VAL HN 5749 0.184 -1.064 -1.646 + 407VAL CA 5750 0.095 -0.888 -1.721 + 407VAL HA 5751 0.021 -0.886 -1.799 + 407VAL CB 5752 0.018 -0.867 -1.591 + 407VAL HB 5753 -0.031 -0.766 -1.594 + 407VAL CG1 5754 -0.092 -0.974 -1.580 + 407VAL HG11 5755 -0.047 -1.074 -1.563 + 407VAL HG12 5756 -0.154 -0.978 -1.671 + 407VAL HG13 5757 -0.157 -0.951 -1.493 + 407VAL CG2 5758 0.109 -0.868 -1.467 + 407VAL HG21 5759 0.190 -0.793 -1.472 + 407VAL HG22 5760 0.155 -0.968 -1.453 + 407VAL HG23 5761 0.050 -0.846 -1.375 + 407VAL C 5762 0.186 -0.771 -1.754 + 407VAL O 5763 0.146 -0.677 -1.823 + 408GLU N 5764 0.314 -0.776 -1.713 + 408GLU HN 5765 0.345 -0.850 -1.651 + 408GLU CA 5766 0.415 -0.679 -1.750 + 408GLU HA 5767 0.383 -0.581 -1.716 + 408GLU CB 5768 0.548 -0.716 -1.683 + 408GLU HB1 5769 0.633 -0.660 -1.728 + 408GLU HB2 5770 0.563 -0.825 -1.704 + 408GLU CG 5771 0.556 -0.693 -1.530 + 408GLU HG1 5772 0.462 -0.724 -1.479 + 408GLU HG2 5773 0.572 -0.586 -1.507 + 408GLU CD 5774 0.671 -0.775 -1.469 + 408GLU OE1 5775 0.738 -0.844 -1.552 + 408GLU OE2 5776 0.704 -0.766 -1.350 + 408GLU C 5777 0.438 -0.671 -1.900 + 408GLU O 5778 0.454 -0.564 -1.960 + 409SER N 5779 0.443 -0.788 -1.967 + 409SER HN 5780 0.432 -0.873 -1.914 + 409SER CA 5781 0.460 -0.798 -2.110 + 409SER HA 5782 0.540 -0.731 -2.138 + 409SER CB 5783 0.499 -0.942 -2.151 + 409SER HB1 5784 0.414 -1.012 -2.129 + 409SER HB2 5785 0.584 -0.974 -2.086 + 409SER OG 5786 0.539 -0.952 -2.287 + 409SER HG1 5787 0.460 -0.938 -2.342 + 409SER C 5788 0.340 -0.754 -2.192 + 409SER O 5789 0.353 -0.696 -2.299 + 410GLN N 5790 0.218 -0.785 -2.143 + 410GLN HN 5791 0.208 -0.832 -2.056 + 410GLN CA 5792 0.096 -0.760 -2.219 + 410GLN HA 5793 0.118 -0.763 -2.325 + 410GLN CB 5794 -0.008 -0.870 -2.188 + 410GLN HB1 5795 -0.108 -0.839 -2.227 + 410GLN HB2 5796 -0.016 -0.879 -2.077 + 410GLN CG 5797 0.027 -1.008 -2.251 + 410GLN HG1 5798 0.124 -1.043 -2.211 + 410GLN HG2 5799 0.035 -0.996 -2.361 + 410GLN CD 5800 -0.077 -1.115 -2.223 + 410GLN OE1 5801 -0.078 -1.225 -2.284 + 410GLN NE2 5802 -0.173 -1.092 -2.132 + 410GLN HE21 5803 -0.230 -1.163 -2.099 + 410GLN HE22 5804 -0.173 -0.998 -2.088 + 410GLN C 5805 0.033 -0.625 -2.193 + 410GLN O 5806 -0.043 -0.574 -2.276 + 411SER N 5807 0.066 -0.561 -2.080 + 411SER HN 5808 0.125 -0.605 -2.010 + 411SER CA 5809 0.011 -0.432 -2.044 + 411SER HA 5810 -0.018 -0.380 -2.134 + 411SER CB 5811 -0.116 -0.445 -1.955 + 411SER HB1 5812 -0.153 -0.346 -1.923 + 411SER HB2 5813 -0.090 -0.503 -1.863 + 411SER OG 5814 -0.221 -0.513 -2.025 + 411SER HG1 5815 -0.252 -0.456 -2.096 + 411SER C 5816 0.114 -0.342 -1.977 + 411SER O 5817 0.089 -0.296 -1.866 + 412PRO N 5818 0.227 -0.307 -2.039 + 412PRO CD 5819 0.263 -0.342 -2.177 + 412PRO HD1 5820 0.179 -0.321 -2.247 + 412PRO HD2 5821 0.292 -0.449 -2.181 + 412PRO CA 5822 0.331 -0.227 -1.974 + 412PRO HA 5823 0.352 -0.266 -1.875 + 412PRO CB 5824 0.450 -0.237 -2.071 + 412PRO HB1 5825 0.508 -0.329 -2.045 + 412PRO HB2 5826 0.519 -0.150 -2.066 + 412PRO CG 5827 0.386 -0.256 -2.209 + 412PRO HG1 5828 0.353 -0.157 -2.249 + 412PRO HG2 5829 0.452 -0.306 -2.283 + 412PRO C 5830 0.289 -0.082 -1.958 + 412PRO O 5831 0.346 -0.012 -1.875 + 413ASN N 5832 0.193 -0.036 -2.039 + 413ASN HN 5833 0.151 -0.099 -2.104 + 413ASN CA 5834 0.148 0.102 -2.043 + 413ASN HA 5835 0.227 0.166 -2.004 + 413ASN CB 5836 0.112 0.144 -2.188 + 413ASN HB1 5837 0.083 0.251 -2.192 + 413ASN HB2 5838 0.027 0.083 -2.227 + 413ASN CG 5839 0.230 0.122 -2.283 + 413ASN OD1 5840 0.224 0.042 -2.376 + 413ASN ND2 5841 0.343 0.192 -2.258 + 413ASN HD21 5842 0.422 0.176 -2.316 + 413ASN HD22 5843 0.354 0.244 -2.172 + 413ASN C 5844 0.028 0.122 -1.952 + 413ASN O 5845 -0.038 0.225 -1.956 + 414ALA N 5846 -0.002 0.021 -1.867 + 414ALA HN 5847 0.054 -0.062 -1.867 + 414ALA CA 5848 -0.092 0.031 -1.755 + 414ALA HA 5849 -0.188 0.062 -1.793 + 414ALA CB 5850 -0.104 -0.105 -1.685 + 414ALA HB1 5851 -0.005 -0.142 -1.651 + 414ALA HB2 5852 -0.147 -0.181 -1.755 + 414ALA HB3 5853 -0.171 -0.099 -1.597 + 414ALA C 5854 -0.045 0.136 -1.654 + 414ALA O 5855 0.073 0.159 -1.635 + 415LYS N 5856 -0.140 0.203 -1.587 + 415LYS HN 5857 -0.237 0.182 -1.596 + 415LYS CA 5858 -0.102 0.305 -1.492 + 415LYS HA 5859 -0.021 0.267 -1.431 + 415LYS CB 5860 -0.060 0.439 -1.558 + 415LYS HB1 5861 0.026 0.419 -1.626 + 415LYS HB2 5862 -0.022 0.507 -1.479 + 415LYS CG 5863 -0.169 0.513 -1.637 + 415LYS HG1 5864 -0.260 0.525 -1.575 + 415LYS HG2 5865 -0.196 0.453 -1.727 + 415LYS CD 5866 -0.119 0.652 -1.679 + 415LYS HD1 5867 -0.032 0.639 -1.747 + 415LYS HD2 5868 -0.080 0.703 -1.587 + 415LYS CE 5869 -0.227 0.738 -1.744 + 415LYS HE1 5870 -0.316 0.744 -1.678 + 415LYS HE2 5871 -0.258 0.693 -1.842 + 415LYS NZ 5872 -0.177 0.874 -1.768 + 415LYS HZ1 5873 -0.090 0.871 -1.825 + 415LYS HZ2 5874 -0.152 0.918 -1.676 + 415LYS HZ3 5875 -0.249 0.932 -1.815 + 415LYS C 5876 -0.217 0.330 -1.398 + 415LYS O 5877 -0.333 0.299 -1.426 + 416VAL N 5878 -0.186 0.393 -1.284 + 416VAL HN 5879 -0.090 0.417 -1.265 + 416VAL CA 5880 -0.284 0.442 -1.190 + 416VAL HA 5881 -0.384 0.429 -1.231 + 416VAL CB 5882 -0.278 0.371 -1.055 + 416VAL HB 5883 -0.283 0.261 -1.076 + 416VAL CG1 5884 -0.146 0.398 -0.981 + 416VAL HG11 5885 -0.138 0.504 -0.950 + 416VAL HG12 5886 -0.059 0.372 -1.045 + 416VAL HG13 5887 -0.141 0.335 -0.889 + 416VAL CG2 5888 -0.401 0.408 -0.969 + 416VAL HG21 5889 -0.496 0.389 -1.023 + 416VAL HG22 5890 -0.398 0.515 -0.938 + 416VAL HG23 5891 -0.402 0.347 -0.876 + 416VAL C 5892 -0.260 0.591 -1.179 + 416VAL O 5893 -0.148 0.640 -1.191 + 417THR N 5894 -0.368 0.669 -1.163 + 417THR HN 5895 -0.459 0.629 -1.155 + 417THR CA 5896 -0.354 0.812 -1.137 + 417THR HA 5897 -0.252 0.835 -1.110 + 417THR CB 5898 -0.393 0.901 -1.255 + 417THR HB 5899 -0.500 0.883 -1.282 + 417THR OG1 5900 -0.312 0.871 -1.368 + 417THR HG1 5901 -0.315 0.775 -1.373 + 417THR CG2 5902 -0.372 1.049 -1.223 + 417THR HG21 5903 -0.267 1.068 -1.190 + 417THR HG22 5904 -0.440 1.084 -1.143 + 417THR HG23 5905 -0.390 1.111 -1.313 + 417THR C 5906 -0.439 0.845 -1.018 + 417THR O 5907 -0.559 0.820 -1.018 + 418PHE N 5908 -0.377 0.903 -0.915 + 418PHE HN 5909 -0.280 0.926 -0.921 + 418PHE CA 5910 -0.444 0.952 -0.796 + 418PHE HA 5911 -0.547 0.917 -0.794 + 418PHE CB 5912 -0.372 0.912 -0.664 + 418PHE HB1 5913 -0.426 0.951 -0.576 + 418PHE HB2 5914 -0.269 0.954 -0.663 + 418PHE CG 5915 -0.362 0.763 -0.651 + 418PHE CD1 5916 -0.474 0.688 -0.611 + 418PHE HD1 5917 -0.568 0.738 -0.594 + 418PHE CE1 5918 -0.466 0.550 -0.594 + 418PHE HE1 5919 -0.553 0.493 -0.563 + 418PHE CZ 5920 -0.344 0.484 -0.615 + 418PHE HZ 5921 -0.336 0.378 -0.600 + 418PHE CD2 5922 -0.240 0.696 -0.670 + 418PHE HD2 5923 -0.152 0.752 -0.698 + 418PHE CE2 5924 -0.231 0.557 -0.653 + 418PHE HE2 5925 -0.137 0.506 -0.667 + 418PHE C 5926 -0.445 1.102 -0.807 + 418PHE O 5927 -0.353 1.163 -0.865 + 419SER N 5928 -0.548 1.169 -0.757 + 419SER HN 5929 -0.626 1.122 -0.712 + 419SER CA 5930 -0.551 1.314 -0.761 + 419SER HA 5931 -0.453 1.348 -0.729 + 419SER CB 5932 -0.583 1.373 -0.902 + 419SER HB1 5933 -0.500 1.345 -0.970 + 419SER HB2 5934 -0.587 1.484 -0.899 + 419SER OG 5935 -0.704 1.321 -0.957 + 419SER HG1 5936 -0.696 1.225 -0.950 + 419SER C 5937 -0.648 1.365 -0.659 + 419SER O 5938 -0.725 1.291 -0.601 + 420ASN N 5939 -0.643 1.497 -0.630 + 420ASN HN 5940 -0.570 1.551 -0.672 + 420ASN CA 5941 -0.746 1.567 -0.553 + 420ASN HA 5942 -0.712 1.669 -0.546 + 420ASN CB 5943 -0.882 1.563 -0.629 + 420ASN HB1 5944 -0.928 1.463 -0.617 + 420ASN HB2 5945 -0.863 1.578 -0.737 + 420ASN CG 5946 -0.982 1.670 -0.585 + 420ASN OD1 5947 -0.951 1.773 -0.525 + 420ASN ND2 5948 -1.111 1.646 -0.619 + 420ASN HD21 5949 -1.133 1.559 -0.665 + 420ASN HD22 5950 -1.184 1.696 -0.571 + 420ASN C 5951 -0.759 1.517 -0.410 + 420ASN O 5952 -0.868 1.496 -0.359 + 421ILE N 5953 -0.645 1.498 -0.341 + 421ILE HN 5954 -0.556 1.510 -0.384 + 421ILE CA 5955 -0.644 1.460 -0.201 + 421ILE HA 5956 -0.711 1.375 -0.190 + 421ILE CB 5957 -0.506 1.412 -0.154 + 421ILE HB 5958 -0.431 1.490 -0.179 + 421ILE CG2 5959 -0.506 1.391 -0.000 + 421ILE HG21 5960 -0.590 1.325 0.029 + 421ILE HG22 5961 -0.516 1.487 0.055 + 421ILE HG23 5962 -0.411 1.344 0.033 + 421ILE CG1 5963 -0.468 1.281 -0.229 + 421ILE HG11 5964 -0.492 1.291 -0.337 + 421ILE HG12 5965 -0.532 1.199 -0.189 + 421ILE CD 5966 -0.320 1.244 -0.215 + 421ILE HD1 5967 -0.291 1.234 -0.109 + 421ILE HD2 5968 -0.255 1.321 -0.262 + 421ILE HD3 5969 -0.301 1.146 -0.265 + 421ILE C 5970 -0.699 1.570 -0.112 + 421ILE O 5971 -0.655 1.686 -0.118 + 422LYS N 5972 -0.797 1.537 -0.028 + 422LYS HN 5973 -0.832 1.442 -0.026 + 422LYS CA 5974 -0.858 1.631 0.062 + 422LYS HA 5975 -0.789 1.711 0.082 + 422LYS CB 5976 -0.994 1.686 0.012 + 422LYS HB1 5977 -1.023 1.770 0.079 + 422LYS HB2 5978 -1.072 1.607 0.020 + 422LYS CG 5979 -0.995 1.732 -0.135 + 422LYS HG1 5980 -0.981 1.643 -0.199 + 422LYS HG2 5981 -0.908 1.799 -0.155 + 422LYS CD 5982 -1.125 1.802 -0.179 + 422LYS HD1 5983 -1.209 1.729 -0.167 + 422LYS HD2 5984 -1.116 1.825 -0.287 + 422LYS CE 5985 -1.158 1.930 -0.100 + 422LYS HE1 5986 -1.075 2.003 -0.108 + 422LYS HE2 5987 -1.175 1.906 0.007 + 422LYS NZ 5988 -1.281 1.992 -0.151 + 422LYS HZ1 5989 -1.360 1.925 -0.139 + 422LYS HZ2 5990 -1.271 2.015 -0.252 + 422LYS HZ3 5991 -1.307 2.079 -0.099 + 422LYS C 5992 -0.881 1.556 0.191 + 422LYS O 5993 -0.921 1.442 0.194 + 423PHE N 5994 -0.849 1.624 0.304 + 423PHE HN 5995 -0.812 1.716 0.300 + 423PHE CA 5996 -0.854 1.562 0.433 + 423PHE HA 5997 -0.926 1.480 0.433 + 423PHE CB 5998 -0.713 1.506 0.467 + 423PHE HB1 5999 -0.637 1.584 0.444 + 423PHE HB2 6000 -0.692 1.418 0.403 + 423PHE CG 6001 -0.697 1.465 0.611 + 423PHE CD1 6002 -0.751 1.343 0.657 + 423PHE HD1 6003 -0.805 1.279 0.588 + 423PHE CE1 6004 -0.735 1.304 0.790 + 423PHE HE1 6005 -0.776 1.211 0.824 + 423PHE CZ 6006 -0.664 1.387 0.879 + 423PHE HZ 6007 -0.651 1.355 0.981 + 423PHE CD2 6008 -0.626 1.546 0.701 + 423PHE HD2 6009 -0.583 1.639 0.665 + 423PHE CE2 6010 -0.609 1.508 0.834 + 423PHE HE2 6011 -0.552 1.569 0.902 + 423PHE C 6012 -0.906 1.663 0.532 + 423PHE O 6013 -0.858 1.778 0.537 + 424GLY N 6014 -1.006 1.629 0.613 + 424GLY HN 6015 -1.046 1.536 0.611 + 424GLY CA 6016 -1.059 1.722 0.711 + 424GLY HA1 6017 -1.123 1.792 0.660 + 424GLY HA2 6018 -0.978 1.768 0.765 + 424GLY C 6019 -1.144 1.643 0.808 + 424GLY O 6020 -1.153 1.524 0.795 + 425PRO N 6021 -1.207 1.711 0.905 + 425PRO CD 6022 -1.178 1.849 0.941 + 425PRO HD1 6023 -1.219 1.917 0.863 + 425PRO HD2 6024 -1.069 1.865 0.954 + 425PRO CA 6025 -1.322 1.658 0.979 + 425PRO HA 6026 -1.283 1.581 1.044 + 425PRO CB 6027 -1.376 1.780 1.054 + 425PRO HB1 6028 -1.423 1.751 1.151 + 425PRO HB2 6029 -1.450 1.835 0.992 + 425PRO CG 6030 -1.252 1.868 1.074 + 425PRO HG1 6031 -1.277 1.974 1.095 + 425PRO HG2 6032 -1.191 1.826 1.157 + 425PRO C 6033 -1.429 1.592 0.895 + 425PRO O 6034 -1.442 1.624 0.776 + 426ILE N 6035 -1.509 1.502 0.953 + 426ILE HN 6036 -1.495 1.480 1.049 + 426ILE CA 6037 -1.620 1.437 0.884 + 426ILE HA 6038 -1.578 1.389 0.796 + 426ILE CB 6039 -1.684 1.327 0.968 + 426ILE HB 6040 -1.715 1.371 1.065 + 426ILE CG2 6041 -1.810 1.270 0.901 + 426ILE HG21 6042 -1.784 1.229 0.801 + 426ILE HG22 6043 -1.890 1.346 0.888 + 426ILE HG23 6044 -1.854 1.187 0.961 + 426ILE CG1 6045 -1.579 1.217 0.995 + 426ILE HG11 6046 -1.483 1.261 1.030 + 426ILE HG12 6047 -1.557 1.166 0.899 + 426ILE CD 6048 -1.622 1.114 1.099 + 426ILE HD1 6049 -1.713 1.059 1.066 + 426ILE HD2 6050 -1.642 1.162 1.197 + 426ILE HD3 6051 -1.541 1.040 1.113 + 426ILE C 6052 -1.724 1.535 0.832 + 426ILE O 6053 -1.781 1.614 0.909 + 427GLY N 6054 -1.751 1.532 0.700 + 427GLY HN 6055 -1.702 1.466 0.641 + 427GLY CA 6056 -1.845 1.621 0.633 + 427GLY HA1 6057 -1.927 1.643 0.700 + 427GLY HA2 6058 -1.876 1.572 0.542 + 427GLY C 6059 -1.784 1.752 0.593 + 427GLY O 6060 -1.855 1.854 0.580 + 428SER N 6061 -1.651 1.758 0.572 + 428SER HN 6062 -1.597 1.674 0.581 + 428SER CA 6063 -1.585 1.882 0.533 + 428SER HA 6064 -1.659 1.960 0.523 + 428SER CB 6065 -1.482 1.933 0.638 + 428SER HB1 6066 -1.533 1.942 0.737 + 428SER HB2 6067 -1.447 2.034 0.609 + 428SER OG 6068 -1.369 1.848 0.651 + 428SER HG1 6069 -1.401 1.763 0.688 + 428SER C 6070 -1.516 1.875 0.400 + 428SER O 6071 -1.481 1.980 0.343 + 429THR N 6072 -1.497 1.756 0.340 + 429THR HN 6073 -1.529 1.670 0.384 + 429THR CA 6074 -1.413 1.743 0.221 + 429THR HA 6075 -1.339 1.821 0.223 + 429THR CB 6076 -1.336 1.612 0.214 + 429THR HB 6077 -1.277 1.606 0.120 + 429THR OG1 6078 -1.422 1.498 0.219 + 429THR HG1 6079 -1.467 1.498 0.306 + 429THR CG2 6080 -1.237 1.603 0.331 + 429THR HG21 6081 -1.291 1.602 0.429 + 429THR HG22 6082 -1.167 1.688 0.331 + 429THR HG23 6083 -1.179 1.508 0.325 + 429THR C 6084 -1.490 1.763 0.093 + 429THR O 6085 -1.432 1.776 -0.016 + 430GLY N 6086 -1.624 1.776 0.102 + 430GLY HN 6087 -1.668 1.761 0.192 + 430GLY CA 6088 -1.710 1.815 -0.009 + 430GLY HA1 6089 -1.812 1.795 0.020 + 430GLY HA2 6090 -1.680 1.762 -0.098 + 430GLY C 6091 -1.702 1.962 -0.036 + 430GLY O 6092 -1.715 2.007 -0.151 + 431ASN N 6093 -1.680 2.041 0.069 + 431ASN HN 6094 -1.665 1.999 0.158 + 431ASN CA 6095 -1.676 2.186 0.067 + 431ASN HA 6096 -1.771 2.214 0.023 + 431ASN CB 6097 -1.668 2.244 0.211 + 431ASN HB1 6098 -1.670 2.355 0.207 + 431ASN HB2 6099 -1.573 2.212 0.259 + 431ASN CG 6100 -1.789 2.200 0.292 + 431ASN OD1 6101 -1.902 2.193 0.245 + 431ASN ND2 6102 -1.766 2.165 0.421 + 431ASN HD21 6103 -1.844 2.125 0.471 + 431ASN HD22 6104 -1.675 2.171 0.458 + 431ASN C 6105 -1.564 2.241 -0.024 + 431ASN O 6106 -1.460 2.174 -0.038 + 432PRO N 6107 -1.582 2.355 -0.091 + 432PRO CD 6108 -1.700 2.442 -0.076 + 432PRO HD1 6109 -1.696 2.491 0.024 + 432PRO HD2 6110 -1.795 2.386 -0.088 + 432PRO CA 6111 -1.486 2.414 -0.184 + 432PRO HA 6112 -1.497 2.356 -0.275 + 432PRO CB 6113 -1.535 2.559 -0.203 + 432PRO HB1 6114 -1.505 2.601 -0.301 + 432PRO HB2 6115 -1.495 2.623 -0.121 + 432PRO CG 6116 -1.686 2.547 -0.186 + 432PRO HG1 6117 -1.734 2.643 -0.158 + 432PRO HG2 6118 -1.732 2.508 -0.280 + 432PRO C 6119 -1.338 2.407 -0.151 + 432PRO O 6120 -1.297 2.436 -0.039 + 433SER N 6121 -1.255 2.369 -0.249 + 433SER HN 6122 -1.291 2.343 -0.338 + 433SER CA 6123 -1.111 2.379 -0.239 + 433SER HA 6124 -1.081 2.332 -0.146 + 433SER CB 6125 -1.039 2.306 -0.354 + 433SER HB1 6126 -0.929 2.313 -0.340 + 433SER HB2 6127 -1.064 2.355 -0.451 + 433SER OG 6128 -1.078 2.168 -0.360 + 433SER HG1 6129 -1.018 2.131 -0.426 + 433SER C 6130 -1.060 2.522 -0.235 + 433SER O 6131 -1.117 2.610 -0.303 + 434GLY N 6132 -0.952 2.549 -0.161 + 434GLY HN 6133 -0.903 2.476 -0.112 + 434GLY CA 6134 -0.886 2.679 -0.153 + 434GLY HA1 6135 -0.918 2.727 -0.061 + 434GLY HA2 6136 -0.910 2.737 -0.241 + 434GLY C 6137 -0.733 2.661 -0.149 + 434GLY OT1 6138 -0.679 2.585 -0.234 + 434GLY OT2 6139 -0.666 2.723 -0.062 + 1BGLC C1 6140 -0.706 -1.426 0.189 + 1BGLC H1 6141 -0.691 -1.434 0.299 + 1BGLC O1 6142 -0.753 -1.549 0.139 + 1BGLC HO1 6143 -0.691 -1.613 0.175 + 1BGLC C5 6144 -0.763 -1.201 0.224 + 1BGLC H5 6145 -0.746 -1.222 0.333 + 1BGLC O5 6146 -0.799 -1.324 0.157 + 1BGLC C2 6147 -0.576 -1.389 0.119 + 1BGLC H2 6148 -0.600 -1.378 0.011 + 1BGLC O2 6149 -0.473 -1.490 0.129 + 1BGLC HO2 6150 -0.395 -1.450 0.090 + 1BGLC C3 6151 -0.524 -1.255 0.167 + 1BGLC H3 6152 -0.490 -1.267 0.273 + 1BGLC O3 6153 -0.411 -1.215 0.089 + 1BGLC HO3 6154 -0.374 -1.134 0.128 + 1BGLC C4 6155 -0.632 -1.148 0.166 + 1BGLC H4 6156 -0.653 -1.116 0.062 + 1BGLC O4 6157 -0.590 -1.038 0.247 + 1BGLC C6 6158 -0.880 -1.105 0.218 + 1BGLC H61 6159 -0.855 -1.011 0.274 + 1BGLC H62 6160 -0.967 -1.150 0.271 + 1BGLC O6 6161 -0.922 -1.072 0.085 + 1BGLC HO6 6162 -0.990 -1.003 0.096 + 2BGLC C1 6163 -0.523 -0.933 0.181 + 2BGLC H1 6164 -0.555 -0.926 0.075 + 2BGLC C5 6165 -0.309 -0.850 0.119 + 2BGLC H5 6166 -0.350 -0.843 0.016 + 2BGLC O5 6167 -0.381 -0.953 0.190 + 2BGLC C2 6168 -0.556 -0.803 0.252 + 2BGLC H2 6169 -0.521 -0.812 0.357 + 2BGLC O2 6170 -0.698 -0.783 0.254 + 2BGLC HO2 6171 -0.727 -0.789 0.347 + 2BGLC C3 6172 -0.481 -0.687 0.188 + 2BGLC H3 6173 -0.516 -0.678 0.082 + 2BGLC O3 6174 -0.512 -0.566 0.255 + 2BGLC HO3 6175 -0.484 -0.482 0.213 + 2BGLC C4 6176 -0.332 -0.715 0.188 + 2BGLC H4 6177 -0.295 -0.721 0.293 + 2BGLC O4 6178 -0.257 -0.617 0.115 + 2BGLC C6 6179 -0.164 -0.891 0.108 + 2BGLC H61 6180 -0.116 -0.886 0.208 + 2BGLC H62 6181 -0.109 -0.821 0.041 + 2BGLC O6 6182 -0.149 -1.025 0.058 + 2BGLC HO6 6183 -0.169 -1.026 -0.036 + 3BGLC C1 6184 -0.204 -0.507 0.187 + 3BGLC H1 6185 -0.270 -0.482 0.273 + 3BGLC C5 6186 -0.098 -0.309 0.089 + 3BGLC H5 6187 -0.089 -0.248 0.182 + 3BGLC O5 6188 -0.212 -0.395 0.097 + 3BGLC C2 6189 -0.066 -0.548 0.243 + 3BGLC H2 6190 -0.044 -0.647 0.196 + 3BGLC O2 6191 -0.069 -0.573 0.384 + 3BGLC HO2 6192 -0.078 -0.488 0.432 + 3BGLC C3 6193 0.052 -0.461 0.204 + 3BGLC H3 6194 0.064 -0.380 0.281 + 3BGLC O3 6195 0.174 -0.537 0.204 + 3BGLC HO3 6196 0.233 -0.503 0.275 + 3BGLC C4 6197 0.026 -0.394 0.072 + 3BGLC H4 6198 0.003 -0.473 -0.004 + 3BGLC O4 6199 0.134 -0.311 0.027 + 3BGLC C6 6200 -0.125 -0.213 -0.026 + 3BGLC H61 6201 -0.036 -0.151 -0.047 + 3BGLC H62 6202 -0.207 -0.145 0.005 + 3BGLC O6 6203 -0.165 -0.282 -0.145 + 3BGLC HO6 6204 -0.243 -0.332 -0.116 + 4BGLC C1 6205 0.197 -0.364 -0.087 + 4BGLC H1 6206 0.121 -0.390 -0.165 + 4BGLC C5 6207 0.327 -0.548 -0.162 + 4BGLC H5 6208 0.244 -0.573 -0.232 + 4BGLC O5 6209 0.277 -0.476 -0.050 + 4BGLC C2 6210 0.295 -0.262 -0.140 + 4BGLC H2 6211 0.368 -0.243 -0.058 + 4BGLC O2 6212 0.232 -0.136 -0.172 + 4BGLC HO2 6213 0.211 -0.093 -0.087 + 4BGLC C3 6214 0.368 -0.321 -0.259 + 4BGLC H3 6215 0.291 -0.336 -0.339 + 4BGLC O3 6216 0.469 -0.234 -0.310 + 4BGLC HO3 6217 0.485 -0.262 -0.401 + 4BGLC C4 6218 0.428 -0.457 -0.230 + 4BGLC H4 6219 0.514 -0.444 -0.160 + 4BGLC O4 6220 0.472 -0.513 -0.355 + 4BGLC C6 6221 0.385 -0.675 -0.105 + 4BGLC H61 6222 0.461 -0.651 -0.027 + 4BGLC H62 6223 0.435 -0.734 -0.185 + 4BGLC O6 6224 0.284 -0.758 -0.046 + 4BGLC HO6 6225 0.243 -0.707 0.026 + 5BGLC C1 6226 0.604 -0.561 -0.357 + 5BGLC H1 6227 0.613 -0.648 -0.289 + 5BGLC C5 6228 0.831 -0.509 -0.321 + 5BGLC H5 6229 0.835 -0.609 -0.272 + 5BGLC O5 6230 0.697 -0.459 -0.319 + 5BGLC C2 6231 0.632 -0.605 -0.501 + 5BGLC H2 6232 0.607 -0.518 -0.567 + 5BGLC O2 6233 0.549 -0.715 -0.541 + 5BGLC HO2 6234 0.486 -0.690 -0.611 + 5BGLC C3 6235 0.779 -0.638 -0.521 + 5BGLC H3 6236 0.801 -0.731 -0.463 + 5BGLC O3 6237 0.809 -0.668 -0.658 + 5BGLC HO3 6238 0.749 -0.736 -0.689 + 5BGLC C4 6239 0.866 -0.527 -0.468 + 5BGLC H4 6240 0.842 -0.434 -0.524 + 5BGLC O4 6241 1.006 -0.558 -0.479 + 5BGLC C6 6242 0.925 -0.419 -0.242 + 5BGLC H61 6243 0.919 -0.315 -0.283 + 5BGLC H62 6244 1.029 -0.455 -0.255 + 5BGLC O6 6245 0.895 -0.417 -0.102 + 5BGLC HO6 6246 0.904 -0.507 -0.064 + 6BGLC C1 6247 1.080 -0.454 -0.537 + 6BGLC H1 6248 1.051 -0.357 -0.489 + 6BGLC C5 6249 1.116 -0.331 -0.735 + 6BGLC H5 6250 1.080 -0.243 -0.677 + 6BGLC O5 6251 1.058 -0.449 -0.678 + 6BGLC C2 6252 1.228 -0.479 -0.519 + 6BGLC H2 6253 1.253 -0.571 -0.577 + 6BGLC O2 6254 1.265 -0.501 -0.382 + 6BGLC HO2 6255 1.326 -0.575 -0.380 + 6BGLC C3 6256 1.307 -0.363 -0.578 + 6BGLC H3 6257 1.279 -0.272 -0.521 + 6BGLC O3 6258 1.449 -0.381 -0.566 + 6BGLC HO3 6259 1.489 -0.298 -0.598 + 6BGLC C4 6260 1.267 -0.341 -0.722 + 6BGLC H4 6261 1.301 -0.427 -0.784 + 6BGLC O4 6262 1.320 -0.218 -0.770 + 6BGLC C6 6263 1.064 -0.313 -0.877 + 6BGLC H61 6264 1.076 -0.206 -0.908 + 6BGLC H62 6265 0.955 -0.336 -0.879 + 6BGLC O6 6266 1.132 -0.394 -0.974 + 6BGLC HO6 6267 1.212 -0.350 -1.004 + 7BGLC C1 6268 1.439 -0.224 -0.842 + 7BGLC H1 6269 1.446 -0.318 -0.902 + 7BGLC C5 6270 1.676 -0.215 -0.824 + 7BGLC H5 6271 1.678 -0.305 -0.891 + 7BGLC O5 6272 1.551 -0.210 -0.753 + 7BGLC C2 6273 1.433 -0.103 -0.933 + 7BGLC H2 6274 1.407 -0.015 -0.869 + 7BGLC O2 6275 1.329 -0.120 -1.031 + 7BGLC HO2 6276 1.264 -0.048 -1.026 + 7BGLC C3 6277 1.566 -0.073 -1.000 + 7BGLC H3 6278 1.577 -0.147 -1.084 + 7BGLC O3 6279 1.564 0.058 -1.055 + 7BGLC HO3 6280 1.629 0.064 -1.126 + 7BGLC C4 6281 1.685 -0.090 -0.910 + 7BGLC H4 6282 1.692 -0.002 -0.841 + 7BGLC O4 6283 1.804 -0.102 -0.990 + 7BGLC C6 6284 1.789 -0.225 -0.724 + 7BGLC H61 6285 1.780 -0.140 -0.652 + 7BGLC H62 6286 1.887 -0.214 -0.777 + 7BGLC O6 6287 1.791 -0.347 -0.649 + 7BGLC HO6 6288 1.811 -0.421 -0.708 + 8BGLC C1 6289 1.890 0.009 -0.988 + 8BGLC H1 6290 1.909 0.041 -0.882 + 8BGLC C5 6291 1.921 0.232 -1.061 + 8BGLC H5 6292 1.942 0.255 -0.954 + 8BGLC O5 6293 1.838 0.116 -1.067 + 8BGLC C2 6294 2.020 -0.035 -1.053 + 8BGLC H2 6295 1.995 -0.071 -1.155 + 8BGLC O2 6296 2.079 -0.145 -0.981 + 8BGLC HO2 6297 2.138 -0.193 -1.042 + 8BGLC C3 6298 2.118 0.080 -1.066 + 8BGLC H3 6299 2.150 0.110 -0.964 + 8BGLC O3 6300 2.235 0.042 -1.139 + 8BGLC HO3 6301 2.299 0.114 -1.132 + 8BGLC C4 6302 2.053 0.201 -1.131 + 8BGLC H4 6303 2.031 0.176 -1.238 + 8BGLC O4 6304 2.138 0.315 -1.127 + 8BGLC HO4 6305 2.114 0.375 -1.199 + 8BGLC C6 6306 1.847 0.351 -1.118 + 8BGLC H61 6307 1.901 0.444 -1.090 + 8BGLC H62 6308 1.745 0.357 -1.073 + 8BGLC O6 6309 1.838 0.347 -1.261 + 8BGLC HO6 6310 1.773 0.279 -1.289 + 1TIP3 OH2 6311 -3.158 -3.372 -3.629 + 1TIP3 H1 6312 -3.161 -3.275 -3.620 + 1TIP3 H2 6313 -3.237 -3.387 -3.684 + 2TIP3 OH2 6314 -3.276 -3.423 -3.320 + 2TIP3 H1 6315 -3.276 -3.477 -3.240 + 2TIP3 H2 6316 -3.303 -3.487 -3.387 + 3TIP3 OH2 6317 -4.028 -3.463 -3.156 + 3TIP3 H1 6318 -4.033 -3.537 -3.092 + 3TIP3 H2 6319 -3.959 -3.408 -3.116 + 4TIP3 OH2 6320 -2.928 -3.166 -3.453 + 4TIP3 H1 6321 -2.954 -3.233 -3.387 + 4TIP3 H2 6322 -2.839 -3.141 -3.424 + 5TIP3 OH2 6323 -3.959 -3.001 -3.307 + 5TIP3 H1 6324 -3.988 -3.091 -3.332 + 5TIP3 H2 6325 -3.867 -3.017 -3.283 + 6TIP3 OH2 6326 -4.213 -3.615 -3.872 + 6TIP3 H1 6327 -4.231 -3.533 -3.823 + 6TIP3 H2 6328 -4.303 -3.641 -3.897 + 7TIP3 OH2 6329 -4.206 -3.429 -3.604 + 7TIP3 H1 6330 -4.188 -3.489 -3.530 + 7TIP3 H2 6331 -4.121 -3.384 -3.615 + 8TIP3 OH2 6332 -3.198 -2.738 -3.375 + 8TIP3 H1 6333 -3.220 -2.687 -3.419 + 8TIP3 H2 6334 -3.287 -2.757 -3.329 + 9TIP3 OH2 6335 -3.425 -3.171 -3.266 + 9TIP3 H1 6336 -3.392 -3.244 -3.319 + 9TIP3 H2 6337 -3.345 -3.155 -3.211 + 10TIP3 OH2 6338 -2.572 -4.016 -3.207 + 10TIP3 H1 6339 -2.537 -3.974 -3.127 + 10TIP3 H2 6340 -2.505 -3.987 -3.272 + 11TIP3 OH2 6341 -3.098 -3.740 -3.212 + 11TIP3 H1 6342 -3.078 -3.835 -3.209 + 11TIP3 H2 6343 -3.106 -3.725 -3.307 + 12TIP3 OH2 6344 -3.803 -3.941 -3.502 + 12TIP3 H1 6345 -3.784 -3.857 -3.547 + 12TIP3 H2 6346 -3.833 -3.995 -3.577 + 13TIP3 OH2 6347 -3.013 -3.923 -3.671 + 13TIP3 H1 6348 -2.953 -3.966 -3.607 + 13TIP3 H2 6349 -2.949 -3.878 -3.728 + 14TIP3 OH2 6350 -4.139 -3.663 -3.451 + 14TIP3 H1 6351 -4.080 -3.705 -3.386 + 14TIP3 H2 6352 -4.120 -3.717 -3.530 + 15TIP3 OH2 6353 -3.592 -3.526 -3.509 + 15TIP3 H1 6354 -3.521 -3.580 -3.469 + 15TIP3 H2 6355 -3.643 -3.593 -3.557 + 16TIP3 OH2 6356 -2.477 -3.848 -2.944 + 16TIP3 H1 6357 -2.554 -3.797 -2.974 + 16TIP3 H2 6358 -2.512 -3.888 -2.863 + 17TIP3 OH2 6359 -3.917 -4.052 -3.082 + 17TIP3 H1 6360 -3.957 -4.008 -3.159 + 17TIP3 H2 6361 -3.987 -4.035 -3.015 + 18TIP3 OH2 6362 -3.187 -3.111 -3.745 + 18TIP3 H1 6363 -3.198 -3.122 -3.840 + 18TIP3 H2 6364 -3.220 -3.022 -3.729 + 19TIP3 OH2 6365 -3.626 -3.270 -3.078 + 19TIP3 H1 6366 -3.698 -3.210 -3.050 + 19TIP3 H2 6367 -3.563 -3.208 -3.118 + 20TIP3 OH2 6368 -2.825 -4.012 -3.467 + 20TIP3 H1 6369 -2.871 -4.061 -3.398 + 20TIP3 H2 6370 -2.771 -3.950 -3.415 + 21TIP3 OH2 6371 -3.958 -3.851 -3.295 + 21TIP3 H1 6372 -3.894 -3.793 -3.250 + 21TIP3 H2 6373 -3.902 -3.888 -3.366 + 22TIP3 OH2 6374 -3.828 -3.084 -3.005 + 22TIP3 H1 6375 -3.829 -2.990 -3.034 + 22TIP3 H2 6376 -3.916 -3.089 -2.963 + 23TIP3 OH2 6377 -4.183 -3.120 -3.917 + 23TIP3 H1 6378 -4.261 -3.100 -3.973 + 23TIP3 H2 6379 -4.196 -3.058 -3.842 + 24TIP3 OH2 6380 -2.843 -2.960 -3.213 + 24TIP3 H1 6381 -2.938 -2.970 -3.236 + 24TIP3 H2 6382 -2.821 -2.885 -3.271 + 25TIP3 OH2 6383 -2.808 -4.110 -3.066 + 25TIP3 H1 6384 -2.888 -4.077 -3.110 + 25TIP3 H2 6385 -2.742 -4.097 -3.136 + 26TIP3 OH2 6386 -3.497 4.382 -3.359 + 26TIP3 H1 6387 -3.500 4.286 -3.355 + 26TIP3 H2 6388 -3.587 4.411 -3.334 + 27TIP3 OH2 6389 -3.010 -2.683 -3.610 + 27TIP3 H1 6390 -3.068 -2.749 -3.642 + 27TIP3 H2 6391 -2.942 -2.674 -3.682 + 28TIP3 OH2 6392 -2.838 -3.072 -3.688 + 28TIP3 H1 6393 -2.922 -3.051 -3.699 + 28TIP3 H2 6394 -2.835 -3.152 -3.647 + 29TIP3 OH2 6395 -2.722 -3.105 -2.871 + 29TIP3 H1 6396 -2.732 -3.169 -2.943 + 29TIP3 H2 6397 -2.710 -3.021 -2.921 + 30TIP3 OH2 6398 -3.292 -3.418 -3.906 + 30TIP3 H1 6399 -3.359 -3.356 -3.941 + 30TIP3 H2 6400 -3.219 -3.409 -3.969 + 31TIP3 OH2 6401 -3.275 -3.594 -4.204 + 31TIP3 H1 6402 -3.207 -3.562 -4.143 + 31TIP3 H2 6403 -3.221 -3.655 -4.259 + 32TIP3 OH2 6404 -2.546 -3.488 -3.077 + 32TIP3 H1 6405 -2.618 -3.423 -3.068 + 32TIP3 H2 6406 -2.498 -3.454 -3.155 + 33TIP3 OH2 6407 -2.955 -3.462 -3.797 + 33TIP3 H1 6408 -3.019 -3.431 -3.730 + 33TIP3 H2 6409 -2.883 -3.497 -3.741 + 34TIP3 OH2 6410 -2.961 -3.562 -2.911 + 34TIP3 H1 6411 -2.954 -3.482 -2.856 + 34TIP3 H2 6412 -3.024 -3.530 -2.977 + 35TIP3 OH2 6413 -3.780 -3.335 -3.618 + 35TIP3 H1 6414 -3.815 -3.380 -3.697 + 35TIP3 H2 6415 -3.718 -3.402 -3.583 + 36TIP3 OH2 6416 -3.644 -2.997 -3.345 + 36TIP3 H1 6417 -3.658 -3.042 -3.428 + 36TIP3 H2 6418 -3.566 -3.045 -3.308 + 37TIP3 OH2 6419 -3.728 -3.453 -3.269 + 37TIP3 H1 6420 -3.668 -3.453 -3.346 + 37TIP3 H2 6421 -3.686 -3.389 -3.208 + 38TIP3 OH2 6422 -3.129 -2.922 -3.197 + 38TIP3 H1 6423 -3.123 -2.847 -3.134 + 38TIP3 H2 6424 -3.152 -3.001 -3.151 + 39TIP3 OH2 6425 -3.642 -3.025 -2.784 + 39TIP3 H1 6426 -3.693 -2.958 -2.734 + 39TIP3 H2 6427 -3.707 -3.050 -2.853 + 40TIP3 OH2 6428 -3.040 -3.466 -4.062 + 40TIP3 H1 6429 -2.998 -3.453 -3.974 + 40TIP3 H2 6430 -2.972 -3.425 -4.120 + 41TIP3 OH2 6431 -3.956 -3.390 -2.868 + 41TIP3 H1 6432 -3.947 -3.329 -2.792 + 41TIP3 H2 6433 -4.053 -3.393 -2.878 + 42TIP3 OH2 6434 -3.290 -2.776 -3.693 + 42TIP3 H1 6435 -3.285 -2.806 -3.602 + 42TIP3 H2 6436 -3.377 -2.734 -3.699 + 43TIP3 OH2 6437 -3.835 -2.810 -2.700 + 43TIP3 H1 6438 -3.844 -2.804 -2.797 + 43TIP3 H2 6439 -3.927 -2.826 -2.671 + 44TIP3 OH2 6440 -2.717 -4.336 -4.128 + 44TIP3 H1 6441 -2.763 -4.332 -4.043 + 44TIP3 H2 6442 -2.651 -4.266 -4.114 + 45TIP3 OH2 6443 -3.893 -3.464 -3.866 + 45TIP3 H1 6444 -3.919 -3.387 -3.919 + 45TIP3 H2 6445 -3.963 -3.527 -3.887 + 46TIP3 OH2 6446 -2.534 -2.901 -4.310 + 46TIP3 H1 6447 -2.508 -2.811 -4.287 + 46TIP3 H2 6448 -2.489 -2.953 -4.241 + 47TIP3 OH2 6449 -4.266 -3.181 -3.010 + 47TIP3 H1 6450 -4.288 -3.214 -3.099 + 47TIP3 H2 6451 -4.307 -3.249 -2.954 + 48TIP3 OH2 6452 -4.281 -2.902 -3.313 + 48TIP3 H1 6453 -4.196 -2.942 -3.293 + 48TIP3 H2 6454 -4.301 -2.852 -3.233 + 49TIP3 OH2 6455 -2.443 -2.842 -2.720 + 49TIP3 H1 6456 -2.454 -2.938 -2.737 + 49TIP3 H2 6457 -2.533 -2.818 -2.691 + 50TIP3 OH2 6458 -3.378 -2.919 -2.841 + 50TIP3 H1 6459 -3.369 -2.837 -2.786 + 50TIP3 H2 6460 -3.468 -2.949 -2.816 + 51TIP3 OH2 6461 -3.973 -2.628 -3.679 + 51TIP3 H1 6462 -3.954 -2.667 -3.591 + 51TIP3 H2 6463 -4.053 -2.678 -3.702 + 52TIP3 OH2 6464 -2.963 -2.857 -3.893 + 52TIP3 H1 6465 -2.950 -2.933 -3.951 + 52TIP3 H2 6466 -2.890 -2.871 -3.832 + 53TIP3 OH2 6467 -3.216 -2.477 -3.767 + 53TIP3 H1 6468 -3.255 -2.547 -3.812 + 53TIP3 H2 6469 -3.127 -2.517 -3.743 + 54TIP3 OH2 6470 -2.763 -3.709 -2.680 + 54TIP3 H1 6471 -2.814 -3.669 -2.752 + 54TIP3 H2 6472 -2.756 -3.801 -2.709 + 55TIP3 OH2 6473 -4.070 -3.041 -2.864 + 55TIP3 H1 6474 -4.042 -3.097 -2.789 + 55TIP3 H2 6475 -4.147 -3.091 -2.902 + 56TIP3 OH2 6476 -3.752 -4.222 -3.273 + 56TIP3 H1 6477 -3.838 -4.230 -3.317 + 56TIP3 H2 6478 -3.764 -4.135 -3.230 + 57TIP3 OH2 6479 -3.291 -4.261 -2.917 + 57TIP3 H1 6480 -3.270 -4.310 -2.836 + 57TIP3 H2 6481 -3.386 -4.278 -2.925 + 58TIP3 OH2 6482 -2.995 -3.863 -2.876 + 58TIP3 H1 6483 -3.051 -3.875 -2.797 + 58TIP3 H2 6484 -2.999 -3.767 -2.892 + 59TIP3 OH2 6485 -2.829 -3.383 -4.248 + 59TIP3 H1 6486 -2.846 -3.411 -4.338 + 59TIP3 H2 6487 -2.779 -3.301 -4.262 + 60TIP3 OH2 6488 -3.329 -3.997 -4.213 + 60TIP3 H1 6489 -3.384 -3.996 -4.133 + 60TIP3 H2 6490 -3.378 -4.062 -4.266 + 61TIP3 OH2 6491 -3.762 -3.715 -3.148 + 61TIP3 H1 6492 -3.820 -3.703 -3.072 + 61TIP3 H2 6493 -3.755 -3.624 -3.184 + 62TIP3 OH2 6494 -3.769 -3.709 -3.659 + 62TIP3 H1 6495 -3.865 -3.716 -3.677 + 62TIP3 H2 6496 -3.733 -3.727 -3.748 + 63TIP3 OH2 6497 -3.207 -3.657 -3.787 + 63TIP3 H1 6498 -3.245 -3.573 -3.819 + 63TIP3 H2 6499 -3.135 -3.670 -3.850 + 64TIP3 OH2 6500 -3.287 -3.632 -2.650 + 64TIP3 H1 6501 -3.338 -3.706 -2.611 + 64TIP3 H2 6502 -3.200 -3.642 -2.606 + 65TIP3 OH2 6503 -3.120 -3.712 -3.505 + 65TIP3 H1 6504 -3.149 -3.655 -3.579 + 65TIP3 H2 6505 -3.100 -3.793 -3.555 + 66TIP3 OH2 6506 -4.026 -3.697 -2.965 + 66TIP3 H1 6507 -3.995 -3.662 -2.881 + 66TIP3 H2 6508 -4.052 -3.788 -2.941 + 67TIP3 OH2 6509 -3.653 -3.961 -4.315 + 67TIP3 H1 6510 -3.685 -3.987 -4.227 + 67TIP3 H2 6511 -3.727 -3.908 -4.348 + 68TIP3 OH2 6512 -4.321 -3.942 -3.601 + 68TIP3 H1 6513 -4.303 -3.970 -3.510 + 68TIP3 H2 6514 -4.287 -4.015 -3.653 + 69TIP3 OH2 6515 -4.206 -3.894 -4.021 + 69TIP3 H1 6516 -4.147 -3.868 -4.093 + 69TIP3 H2 6517 -4.289 -3.851 -4.045 + 70TIP3 OH2 6518 -3.215 -3.544 -3.060 + 70TIP3 H1 6519 -3.168 -3.616 -3.109 + 70TIP3 H2 6520 -3.243 -3.589 -2.980 + 71TIP3 OH2 6521 -3.490 -3.941 -3.560 + 71TIP3 H1 6522 -3.583 -3.961 -3.539 + 71TIP3 H2 6523 -3.445 -3.973 -3.480 + 72TIP3 OH2 6524 -4.040 -3.822 -3.695 + 72TIP3 H1 6525 -4.115 -3.808 -3.755 + 72TIP3 H2 6526 -4.003 -3.906 -3.730 + 73TIP3 OH2 6527 -3.674 -3.786 -3.921 + 73TIP3 H1 6528 -3.577 -3.784 -3.917 + 73TIP3 H2 6529 -3.695 -3.727 -3.996 + 74TIP3 OH2 6530 -3.056 -4.032 -3.256 + 74TIP3 H1 6531 -3.119 -4.035 -3.181 + 74TIP3 H2 6532 -3.114 -4.063 -3.327 + 75TIP3 OH2 6533 -3.814 -3.672 -4.160 + 75TIP3 H1 6534 -3.875 -3.722 -4.216 + 75TIP3 H2 6535 -3.738 -3.657 -4.219 + 76TIP3 OH2 6536 -2.751 -2.457 -2.590 + 76TIP3 H1 6537 -2.725 -2.411 -2.672 + 76TIP3 H2 6538 -2.685 -2.424 -2.528 + 77TIP3 OH2 6539 -3.953 -3.197 -2.647 + 77TIP3 H1 6540 -3.890 -3.192 -2.572 + 77TIP3 H2 6541 -4.037 -3.184 -2.598 + 78TIP3 OH2 6542 -3.388 -3.693 -3.375 + 78TIP3 H1 6543 -3.317 -3.738 -3.422 + 78TIP3 H2 6544 -3.405 -3.756 -3.301 + 79TIP3 OH2 6545 -3.877 -4.060 -3.754 + 79TIP3 H1 6546 -3.921 -4.146 -3.742 + 79TIP3 H2 6547 -3.791 -4.085 -3.790 + 80TIP3 OH2 6548 -3.493 -3.849 -3.149 + 80TIP3 H1 6549 -3.568 -3.788 -3.149 + 80TIP3 H2 6550 -3.442 -3.823 -3.069 + 81TIP3 OH2 6551 -3.477 -3.208 -3.961 + 81TIP3 H1 6552 -3.553 -3.260 -3.994 + 81TIP3 H2 6553 -3.495 -3.205 -3.864 + 82TIP3 OH2 6554 -2.754 -3.294 -3.087 + 82TIP3 H1 6555 -2.706 -3.239 -3.152 + 82TIP3 H2 6556 -2.841 -3.305 -3.130 + 83TIP3 OH2 6557 -3.061 -3.931 -4.189 + 83TIP3 H1 6558 -3.159 -3.936 -4.186 + 83TIP3 H2 6559 -3.039 -3.859 -4.127 + 84TIP3 OH2 6560 -3.316 -3.210 -2.829 + 84TIP3 H1 6561 -3.341 -3.240 -2.741 + 84TIP3 H2 6562 -3.344 -3.116 -2.828 + 85TIP3 OH2 6563 -3.000 -3.750 -3.990 + 85TIP3 H1 6564 -2.915 -3.765 -3.943 + 85TIP3 H2 6565 -2.986 -3.662 -4.028 + 86TIP3 OH2 6566 -3.978 -3.280 -3.391 + 86TIP3 H1 6567 -3.908 -3.286 -3.459 + 86TIP3 H2 6568 -3.962 -3.360 -3.338 + 87TIP3 OH2 6569 -3.234 -3.072 -4.064 + 87TIP3 H1 6570 -3.266 -2.987 -4.030 + 87TIP3 H2 6571 -3.309 -3.130 -4.041 + 88TIP3 OH2 6572 -4.239 -3.426 -2.823 + 88TIP3 H1 6573 -4.231 -3.492 -2.752 + 88TIP3 H2 6574 -4.286 -3.476 -2.893 + 89TIP3 OH2 6575 -3.541 -3.494 -2.653 + 89TIP3 H1 6576 -3.574 -3.518 -2.741 + 89TIP3 H2 6577 -3.447 -3.520 -2.661 + 90TIP3 OH2 6578 -3.088 -2.950 -2.881 + 90TIP3 H1 6579 -3.185 -2.940 -2.886 + 90TIP3 H2 6580 -3.070 -2.924 -2.790 + 91TIP3 OH2 6581 -2.530 -3.736 -4.001 + 91TIP3 H1 6582 -2.594 -3.756 -4.071 + 91TIP3 H2 6583 -2.518 -3.641 -4.018 + 92TIP3 OH2 6584 -2.489 -3.141 -2.724 + 92TIP3 H1 6585 -2.583 -3.118 -2.743 + 92TIP3 H2 6586 -2.457 -3.158 -2.814 + 93TIP3 OH2 6587 -2.725 -2.870 -4.054 + 93TIP3 H1 6588 -2.810 -2.845 -4.091 + 93TIP3 H2 6589 -2.663 -2.813 -4.100 + 94TIP3 OH2 6590 -2.993 -3.359 -3.249 + 94TIP3 H1 6591 -3.086 -3.372 -3.275 + 94TIP3 H2 6592 -2.950 -3.432 -3.299 + 95TIP3 OH2 6593 -3.726 -2.942 -3.663 + 95TIP3 H1 6594 -3.688 -2.854 -3.656 + 95TIP3 H2 6595 -3.821 -2.922 -3.672 + 96TIP3 OH2 6596 -4.149 -3.463 -4.168 + 96TIP3 H1 6597 -4.078 -3.400 -4.143 + 96TIP3 H2 6598 -4.222 -3.401 -4.183 + 97TIP3 OH2 6599 -3.544 -3.170 -3.690 + 97TIP3 H1 6600 -3.581 -3.082 -3.676 + 97TIP3 H2 6601 -3.613 -3.226 -3.648 + 98TIP3 OH2 6602 -3.528 -2.754 -3.056 + 98TIP3 H1 6603 -3.480 -2.673 -3.078 + 98TIP3 H2 6604 -3.466 -2.798 -2.995 + 99TIP3 OH2 6605 -3.671 -2.617 -3.737 + 99TIP3 H1 6606 -3.765 -2.636 -3.724 + 99TIP3 H2 6607 -3.652 -2.562 -3.660 + 100TIP3 OH2 6608 -3.187 -3.174 -3.099 + 100TIP3 H1 6609 -3.213 -3.200 -3.009 + 100TIP3 H2 6610 -3.112 -3.233 -3.116 + 101TIP3 OH2 6611 -3.007 -3.064 -4.235 + 101TIP3 H1 6612 -2.998 -3.160 -4.247 + 101TIP3 H2 6613 -3.055 -3.060 -4.151 + 102TIP3 OH2 6614 -2.892 -2.715 -2.858 + 102TIP3 H1 6615 -2.967 -2.761 -2.901 + 102TIP3 H2 6616 -2.882 -2.636 -2.914 + 103TIP3 OH2 6617 -2.485 -2.602 -4.152 + 103TIP3 H1 6618 -2.410 -2.539 -4.148 + 103TIP3 H2 6619 -2.561 -2.540 -4.140 + 104TIP3 OH2 6620 -4.106 -3.957 -2.889 + 104TIP3 H1 6621 -4.196 -3.924 -2.906 + 104TIP3 H2 6622 -4.124 -4.045 -2.849 + 105TIP3 OH2 6623 -2.881 -3.184 -3.972 + 105TIP3 H1 6624 -2.887 -3.253 -3.905 + 105TIP3 H2 6625 -2.785 -3.166 -3.972 + 106TIP3 OH2 6626 -4.128 -2.800 -3.046 + 106TIP3 H1 6627 -4.108 -2.894 -3.033 + 106TIP3 H2 6628 -4.097 -2.764 -2.962 + 107TIP3 OH2 6629 -3.518 -2.935 -4.319 + 107TIP3 H1 6630 -3.479 -3.017 -4.354 + 107TIP3 H2 6631 -3.578 -2.971 -4.251 + 108TIP3 OH2 6632 -3.665 -2.984 -4.076 + 108TIP3 H1 6633 -3.616 -3.042 -4.015 + 108TIP3 H2 6634 -3.643 -2.895 -4.043 + 109TIP3 OH2 6635 -3.985 -3.247 -4.041 + 109TIP3 H1 6636 -4.058 -3.208 -3.988 + 109TIP3 H2 6637 -3.939 -3.166 -4.065 + 110TIP3 OH2 6638 -3.216 -4.007 -3.026 + 110TIP3 H1 6639 -3.152 -3.980 -2.959 + 110TIP3 H2 6640 -3.250 -4.092 -2.992 + 111TIP3 OH2 6641 -3.137 -4.049 -3.922 + 111TIP3 H1 6642 -3.118 -3.990 -3.995 + 111TIP3 H2 6643 -3.100 -4.001 -3.846 + 112TIP3 OH2 6644 -3.369 -2.821 -4.015 + 112TIP3 H1 6645 -3.455 -2.776 -4.010 + 112TIP3 H2 6646 -3.322 -2.768 -4.081 + 113TIP3 OH2 6647 -3.406 -3.851 -3.813 + 113TIP3 H1 6648 -3.330 -3.790 -3.801 + 113TIP3 H2 6649 -3.433 -3.867 -3.720 + 114TIP3 OH2 6650 -3.370 -3.762 -2.899 + 114TIP3 H1 6651 -3.361 -3.710 -2.817 + 114TIP3 H2 6652 -3.312 -3.837 -2.883 + 115TIP3 OH2 6653 -3.328 -4.171 -3.714 + 115TIP3 H1 6654 -3.361 -4.097 -3.661 + 115TIP3 H2 6655 -3.274 -4.126 -3.782 + 116TIP3 OH2 6656 -3.638 -2.705 -4.020 + 116TIP3 H1 6657 -3.653 -2.623 -4.069 + 116TIP3 H2 6658 -3.667 -2.680 -3.930 + 117TIP3 OH2 6659 -3.775 -4.044 -4.072 + 117TIP3 H1 6660 -3.777 -3.965 -4.015 + 117TIP3 H2 6661 -3.690 -4.083 -4.043 + 118TIP3 OH2 6662 -2.732 -3.962 -2.818 + 118TIP3 H1 6663 -2.828 -3.953 -2.828 + 118TIP3 H2 6664 -2.710 -3.989 -2.908 + 119TIP3 OH2 6665 -2.890 -3.574 -3.409 + 119TIP3 H1 6666 -2.971 -3.620 -3.435 + 119TIP3 H2 6667 -2.840 -3.644 -3.362 + 120TIP3 OH2 6668 -3.931 -2.950 -4.155 + 120TIP3 H1 6669 -3.845 -2.934 -4.113 + 120TIP3 H2 6670 -3.903 -3.000 -4.234 + 121TIP3 OH2 6671 -4.098 -3.730 -4.268 + 121TIP3 H1 6672 -4.103 -3.640 -4.229 + 121TIP3 H2 6673 -4.191 -3.750 -4.288 + 122TIP3 OH2 6674 -2.791 -2.682 -3.269 + 122TIP3 H1 6675 -2.798 -2.601 -3.322 + 122TIP3 H2 6676 -2.698 -2.679 -3.242 + 123TIP3 OH2 6677 -4.080 -4.236 -3.352 + 123TIP3 H1 6678 -4.062 -4.250 -3.447 + 123TIP3 H2 6679 -4.098 -4.326 -3.324 + 124TIP3 OH2 6680 -4.133 -2.875 -3.744 + 124TIP3 H1 6681 -4.227 -2.850 -3.736 + 124TIP3 H2 6682 -4.109 -2.841 -3.831 + 125TIP3 OH2 6683 -4.214 -2.605 -2.623 + 125TIP3 H1 6684 -4.151 -2.604 -2.549 + 125TIP3 H2 6685 -4.216 -2.701 -2.638 + 126TIP3 OH2 6686 -3.728 -2.692 -2.451 + 126TIP3 H1 6687 -3.658 -2.755 -2.429 + 126TIP3 H2 6688 -3.750 -2.719 -2.541 + 127TIP3 OH2 6689 -3.307 -2.754 -4.318 + 127TIP3 H1 6690 -3.388 -2.809 -4.322 + 127TIP3 H2 6691 -3.242 -2.820 -4.348 + 128TIP3 OH2 6692 -3.080 -2.864 -2.592 + 128TIP3 H1 6693 -3.117 -2.946 -2.554 + 128TIP3 H2 6694 -3.010 -2.842 -2.527 + 129TIP3 OH2 6695 -2.791 -2.246 3.901 + 129TIP3 H1 6696 -2.858 -2.280 3.961 + 129TIP3 H2 6697 -2.712 -2.250 3.957 + 130TIP3 OH2 6698 -4.200 -3.201 -2.560 + 130TIP3 H1 6699 -4.190 -3.288 -2.601 + 130TIP3 H2 6700 -4.286 -3.172 -2.593 + 131TIP3 OH2 6701 -3.772 -3.177 -4.311 + 131TIP3 H1 6702 -3.763 -3.245 -4.243 + 131TIP3 H2 6703 -3.702 -3.200 -4.373 + 132TIP3 OH2 6704 -3.540 -3.216 -2.582 + 132TIP3 H1 6705 -3.569 -3.183 -2.669 + 132TIP3 H2 6706 -3.531 -3.312 -2.597 + 133TIP3 OH2 6707 -3.259 -3.076 -4.351 + 133TIP3 H1 6708 -3.229 -3.058 -4.260 + 133TIP3 H2 6709 -3.192 -3.140 -4.380 + 134TIP3 OH2 6710 -3.002 -3.254 -2.845 + 134TIP3 H1 6711 -2.923 -3.201 -2.863 + 134TIP3 H2 6712 -3.070 -3.185 -2.845 + 135TIP3 OH2 6713 -4.135 -3.533 -2.583 + 135TIP3 H1 6714 -4.053 -3.584 -2.597 + 135TIP3 H2 6715 -4.121 -3.498 -2.494 + 136TIP3 OH2 6716 -3.674 -3.383 -4.090 + 136TIP3 H1 6717 -3.735 -3.429 -4.030 + 136TIP3 H2 6718 -3.639 -3.457 -4.143 + 137TIP3 OH2 6719 -3.751 -3.609 -2.857 + 137TIP3 H1 6720 -3.804 -3.529 -2.838 + 137TIP3 H2 6721 -3.684 -3.573 -2.917 + 138TIP3 OH2 6722 -3.554 -3.572 -4.277 + 138TIP3 H1 6723 -3.547 -3.601 -4.369 + 138TIP3 H2 6724 -3.459 -3.576 -4.251 + 139TIP3 OH2 6725 -3.220 -3.338 -2.502 + 139TIP3 H1 6726 -3.129 -3.355 -2.530 + 139TIP3 H2 6727 -3.243 -3.421 -2.458 + 140TIP3 OH2 6728 -3.694 -3.881 -2.745 + 140TIP3 H1 6729 -3.682 -3.944 -2.818 + 140TIP3 H2 6730 -3.711 -3.799 -2.793 + 141TIP3 OH2 6731 -3.651 -4.038 -3.003 + 141TIP3 H1 6732 -3.599 -3.982 -3.064 + 141TIP3 H2 6733 -3.743 -4.026 -3.036 + 142TIP3 OH2 6734 -3.503 -3.489 -2.957 + 142TIP3 H1 6735 -3.418 -3.497 -3.003 + 142TIP3 H2 6736 -3.532 -3.400 -2.987 + 143TIP3 OH2 6737 -3.045 -3.694 -2.480 + 143TIP3 H1 6738 -3.024 -3.786 -2.462 + 143TIP3 H2 6739 -2.957 -3.654 -2.482 + 144TIP3 OH2 6740 -2.947 -3.415 -2.631 + 144TIP3 H1 6741 -2.981 -3.353 -2.698 + 144TIP3 H2 6742 -2.857 -3.430 -2.666 + 145TIP3 OH2 6743 -3.882 -3.691 -2.566 + 145TIP3 H1 6744 -3.928 -3.777 -2.565 + 145TIP3 H2 6745 -3.797 -3.715 -2.607 + 146TIP3 OH2 6746 -3.605 -4.277 -2.879 + 146TIP3 H1 6747 -3.592 -4.187 -2.915 + 146TIP3 H2 6748 -3.697 -4.291 -2.906 + 147TIP3 OH2 6749 -3.457 -3.844 -2.586 + 147TIP3 H1 6750 -3.487 -3.871 -2.497 + 147TIP3 H2 6751 -3.538 -3.864 -2.636 + 148TIP3 OH2 6752 -3.198 -3.945 -2.687 + 148TIP3 H1 6753 -3.286 -3.931 -2.649 + 148TIP3 H2 6754 -3.160 -4.010 -2.625 + 149TIP3 OH2 6755 -3.029 -4.136 -2.520 + 149TIP3 H1 6756 -3.038 -4.224 -2.480 + 149TIP3 H2 6757 -3.039 -4.077 -2.443 + 150TIP3 OH2 6758 -4.004 -3.951 -2.577 + 150TIP3 H1 6759 -4.023 -4.018 -2.645 + 150TIP3 H2 6760 -4.039 -3.993 -2.497 + 151TIP3 OH2 6761 -3.495 -4.147 -2.474 + 151TIP3 H1 6762 -3.517 -4.229 -2.522 + 151TIP3 H2 6763 -3.580 -4.100 -2.471 + 152TIP3 OH2 6764 -3.572 -2.404 -4.156 + 152TIP3 H1 6765 -3.493 -2.456 -4.176 + 152TIP3 H2 6766 -3.615 -2.392 -4.242 + 153TIP3 OH2 6767 -4.189 -3.010 -4.239 + 153TIP3 H1 6768 -4.105 -2.996 -4.191 + 153TIP3 H2 6769 -4.177 -3.099 -4.275 + 154TIP3 OH2 6770 -4.271 -2.690 -3.524 + 154TIP3 H1 6771 -4.276 -2.780 -3.486 + 154TIP3 H2 6772 -4.244 -2.640 -3.445 + 155TIP3 OH2 6773 -2.516 -2.567 -3.219 + 155TIP3 H1 6774 -2.499 -2.575 -3.124 + 155TIP3 H2 6775 -2.428 -2.544 -3.252 + 156TIP3 OH2 6776 -2.526 -2.628 -2.933 + 156TIP3 H1 6777 -2.578 -2.704 -2.966 + 156TIP3 H2 6778 -2.471 -2.673 -2.867 + 157TIP3 OH2 6779 -2.726 -3.085 -2.503 + 157TIP3 H1 6780 -2.814 -3.077 -2.462 + 157TIP3 H2 6781 -2.681 -3.005 -2.472 + 158TIP3 OH2 6782 -2.578 -3.217 -3.939 + 158TIP3 H1 6783 -2.495 -3.169 -3.922 + 158TIP3 H2 6784 -2.586 -3.268 -3.856 + 159TIP3 OH2 6785 -2.543 -3.399 -3.728 + 159TIP3 H1 6786 -2.606 -3.459 -3.684 + 159TIP3 H2 6787 -2.471 -3.388 -3.662 + 160TIP3 OH2 6788 -2.571 -3.150 -3.239 + 160TIP3 H1 6789 -2.503 -3.197 -3.289 + 160TIP3 H2 6790 -2.553 -3.057 -3.263 + 161TIP3 OH2 6791 -2.693 -2.853 -3.008 + 161TIP3 H1 6792 -2.767 -2.816 -2.956 + 161TIP3 H2 6793 -2.741 -2.892 -3.084 + 162TIP3 OH2 6794 -2.516 -3.435 -4.107 + 162TIP3 H1 6795 -2.569 -3.397 -4.178 + 162TIP3 H2 6796 -2.530 -3.366 -4.039 + 163TIP3 OH2 6797 -2.695 -3.696 -4.221 + 163TIP3 H1 6798 -2.656 -3.621 -4.270 + 163TIP3 H2 6799 -2.647 -3.770 -4.259 + 164TIP3 OH2 6800 -2.746 -3.585 -3.648 + 164TIP3 H1 6801 -2.754 -3.679 -3.668 + 164TIP3 H2 6802 -2.783 -3.579 -3.558 + 165TIP3 OH2 6803 -4.257 -3.336 -3.254 + 165TIP3 H1 6804 -4.222 -3.313 -3.341 + 165TIP3 H2 6805 -4.177 -3.377 -3.213 + 166TIP3 OH2 6806 -2.686 -3.393 -2.736 + 166TIP3 H1 6807 -2.613 -3.455 -2.718 + 166TIP3 H2 6808 -2.640 -3.310 -2.754 + 167TIP3 OH2 6809 -2.531 -3.583 -2.615 + 167TIP3 H1 6810 -2.610 -3.637 -2.637 + 167TIP3 H2 6811 -2.461 -3.651 -2.616 + 168TIP3 OH2 6812 -2.767 -4.028 -4.341 + 168TIP3 H1 6813 -2.708 -4.042 -4.266 + 168TIP3 H2 6814 -2.855 -4.045 -4.306 + 169TIP3 OH2 6815 -2.769 -3.826 -3.835 + 169TIP3 H1 6816 -2.749 -3.922 -3.827 + 169TIP3 H2 6817 -2.685 -3.793 -3.872 + 170TIP3 OH2 6818 -2.737 -3.772 -3.292 + 170TIP3 H1 6819 -2.640 -3.767 -3.293 + 170TIP3 H2 6820 -2.752 -3.776 -3.196 + 171TIP3 OH2 6821 -2.723 -3.706 -3.007 + 171TIP3 H1 6822 -2.807 -3.664 -2.980 + 171TIP3 H2 6823 -2.668 -3.629 -3.028 + 172TIP3 OH2 6824 -4.282 -3.838 -2.627 + 172TIP3 H1 6825 -4.199 -3.880 -2.654 + 172TIP3 H2 6826 -4.346 -3.911 -2.626 + 173TIP3 OH2 6827 -2.508 -4.278 -2.429 + 173TIP3 H1 6828 -2.453 -4.354 -2.450 + 173TIP3 H2 6829 -2.503 -4.218 -2.507 + 174TIP3 OH2 6830 -2.734 -4.097 -3.822 + 174TIP3 H1 6831 -2.707 -4.147 -3.744 + 174TIP3 H2 6832 -2.795 -4.160 -3.865 + 175TIP3 OH2 6833 -4.194 -3.988 -3.337 + 175TIP3 H1 6834 -4.162 -4.080 -3.330 + 175TIP3 H2 6835 -4.114 -3.937 -3.314 + 176TIP3 OH2 6836 -4.334 -3.727 -3.245 + 176TIP3 H1 6837 -4.294 -3.777 -3.318 + 176TIP3 H2 6838 -4.316 -3.636 -3.272 + 177TIP3 OH2 6839 -2.527 -4.111 -2.645 + 177TIP3 H1 6840 -2.612 -4.065 -2.636 + 177TIP3 H2 6841 -2.537 -4.147 -2.735 + 178TIP3 OH2 6842 -2.515 -4.072 -4.175 + 178TIP3 H1 6843 -2.488 -4.146 -4.231 + 178TIP3 H2 6844 -2.434 -4.019 -4.171 + 179TIP3 OH2 6845 -4.315 -4.105 -3.887 + 179TIP3 H1 6846 -4.398 -4.074 -3.926 + 179TIP3 H2 6847 -4.253 -4.038 -3.924 + 180TIP3 OH2 6848 -2.772 -2.560 -3.678 + 180TIP3 H1 6849 -2.696 -2.565 -3.612 + 180TIP3 H2 6850 -2.843 -2.523 -3.618 + 181TIP3 OH2 6851 -4.292 -4.164 -3.053 + 181TIP3 H1 6852 -4.351 -4.224 -3.002 + 181TIP3 H2 6853 -4.329 -4.166 -3.142 + 182TIP3 OH2 6854 -4.117 -2.863 -2.589 + 182TIP3 H1 6855 -4.171 -2.924 -2.640 + 182TIP3 H2 6856 -4.132 -2.896 -2.498 + 183TIP3 OH2 6857 -3.803 -2.798 -2.998 + 183TIP3 H1 6858 -3.834 -2.714 -3.035 + 183TIP3 H2 6859 -3.707 -2.789 -3.016 + 184TIP3 OH2 6860 -3.350 -2.670 -2.700 + 184TIP3 H1 6861 -3.339 -2.685 -2.604 + 184TIP3 H2 6862 -3.269 -2.621 -2.723 + 185TIP3 OH2 6863 -3.118 -2.523 -2.776 + 185TIP3 H1 6864 -3.050 -2.593 -2.788 + 185TIP3 H2 6865 -3.091 -2.486 -2.690 + 186TIP3 OH2 6866 -2.665 -4.275 -2.854 + 186TIP3 H1 6867 -2.716 -4.215 -2.911 + 186TIP3 H2 6868 -2.641 -4.343 -2.919 + 187TIP3 OH2 6869 -4.070 -2.492 -2.975 + 187TIP3 H1 6870 -4.139 -2.442 -3.022 + 187TIP3 H2 6871 -4.100 -2.483 -2.884 + 188TIP3 OH2 6872 -3.820 -2.526 -3.111 + 188TIP3 H1 6873 -3.905 -2.506 -3.068 + 188TIP3 H2 6874 -3.816 -2.459 -3.181 + 189TIP3 OH2 6875 -3.353 -2.400 -3.183 + 189TIP3 H1 6876 -3.395 -2.350 -3.166 + 189TIP3 H2 6877 -3.303 -2.439 -3.109 + 190TIP3 OH2 6878 -3.109 -2.650 -3.052 + 190TIP3 H1 6879 -3.181 -2.629 -3.114 + 190TIP3 H2 6880 -3.047 -2.578 -3.066 + 191TIP3 OH2 6881 -2.859 -2.480 -3.046 + 191TIP3 H1 6882 -2.858 -2.385 -3.068 + 191TIP3 H2 6883 -2.826 -2.519 -3.129 + 192TIP3 OH2 6884 -4.125 -2.616 -3.276 + 192TIP3 H1 6885 -4.135 -2.661 -3.190 + 192TIP3 H2 6886 -4.049 -2.664 -3.313 + 193TIP3 OH2 6887 -3.907 -2.746 -3.431 + 193TIP3 H1 6888 -3.926 -2.836 -3.398 + 193TIP3 H2 6889 -3.819 -2.728 -3.390 + 194TIP3 OH2 6890 -3.643 -2.718 -3.340 + 194TIP3 H1 6891 -3.616 -2.810 -3.352 + 194TIP3 H2 6892 -3.623 -2.702 -3.247 + 195TIP3 OH2 6893 -3.301 -4.112 -3.412 + 195TIP3 H1 6894 -3.362 -4.183 -3.383 + 195TIP3 H2 6895 -3.239 -4.162 -3.468 + 196TIP3 OH2 6896 -2.771 -4.329 -3.365 + 196TIP3 H1 6897 -2.712 -4.290 -3.430 + 196TIP3 H2 6898 -2.859 -4.305 -3.398 + 197TIP3 OH2 6899 -2.578 -4.223 -3.584 + 197TIP3 H1 6900 -2.522 -4.247 -3.658 + 197TIP3 H2 6901 -2.557 -4.129 -3.570 + 198TIP3 OH2 6902 -4.076 -4.279 -3.668 + 198TIP3 H1 6903 -4.158 -4.313 -3.705 + 198TIP3 H2 6904 -4.025 -4.359 -3.651 + 199TIP3 OH2 6905 -4.198 -4.290 -4.075 + 199TIP3 H1 6906 -4.164 -4.223 -4.138 + 199TIP3 H2 6907 -4.251 -4.234 -4.015 + 200TIP3 OH2 6908 -3.613 -4.222 -3.650 + 200TIP3 H1 6909 -3.520 -4.233 -3.671 + 200TIP3 H2 6910 -3.633 -4.296 -3.592 + 201TIP3 OH2 6911 -3.061 -4.264 -3.516 + 201TIP3 H1 6912 -3.026 -4.262 -3.606 + 201TIP3 H2 6913 -3.072 -4.359 -3.499 + 202TIP3 OH2 6914 -2.953 -4.271 -3.915 + 202TIP3 H1 6915 -3.027 -4.215 -3.944 + 202TIP3 H2 6916 -2.990 -4.360 -3.920 + 203TIP3 OH2 6917 -4.179 -2.688 -3.987 + 203TIP3 H1 6918 -4.260 -2.707 -4.034 + 203TIP3 H2 6919 -4.186 -2.593 -3.971 + 204TIP3 OH2 6920 -4.012 -4.111 -4.224 + 204TIP3 H1 6921 -3.957 -4.160 -4.287 + 204TIP3 H2 6922 -3.944 -4.063 -4.174 + 205TIP3 OH2 6923 -3.494 -4.057 -3.985 + 205TIP3 H1 6924 -3.482 -4.142 -3.938 + 205TIP3 H2 6925 -3.470 -3.991 -3.917 + 206TIP3 OH2 6926 -3.298 -2.530 -4.133 + 206TIP3 H1 6927 -3.205 -2.507 -4.147 + 206TIP3 H2 6928 -3.311 -2.596 -4.203 + 207TIP3 OH2 6929 -2.617 -2.611 -3.899 + 207TIP3 H1 6930 -2.654 -2.692 -3.937 + 207TIP3 H2 6931 -2.651 -2.541 -3.960 + 208TIP3 OH2 6932 -4.111 -4.176 -2.733 + 208TIP3 H1 6933 -4.159 -4.245 -2.683 + 208TIP3 H2 6934 -4.027 -4.224 -2.747 + 209TIP3 OH2 6935 -3.809 -4.278 -2.473 + 209TIP3 H1 6936 -3.722 -4.303 -2.512 + 209TIP3 H2 6937 -3.827 -4.355 -2.418 + 210TIP3 OH2 6938 -3.961 -2.583 -4.238 + 210TIP3 H1 6939 -4.021 -2.564 -4.165 + 210TIP3 H2 6940 -3.928 -2.671 -4.218 + 211TIP3 OH2 6941 -2.692 -2.734 -2.643 + 211TIP3 H1 6942 -2.768 -2.753 -2.701 + 211TIP3 H2 6943 -2.711 -2.641 -2.620 + 212TIP3 OH2 6944 -1.273 -3.367 -3.629 + 212TIP3 H1 6945 -1.276 -3.270 -3.616 + 212TIP3 H2 6946 -1.352 -3.381 -3.684 + 213TIP3 OH2 6947 -1.388 -3.423 -3.320 + 213TIP3 H1 6948 -1.391 -3.478 -3.241 + 213TIP3 H2 6949 -1.417 -3.485 -3.388 + 214TIP3 OH2 6950 -2.141 -3.464 -3.153 + 214TIP3 H1 6951 -2.144 -3.539 -3.091 + 214TIP3 H2 6952 -2.072 -3.410 -3.114 + 215TIP3 OH2 6953 -1.019 -3.150 -3.488 + 215TIP3 H1 6954 -1.059 -3.220 -3.435 + 215TIP3 H2 6955 -0.995 -3.086 -3.420 + 216TIP3 OH2 6956 -2.076 -2.999 -3.304 + 216TIP3 H1 6957 -2.100 -3.091 -3.329 + 216TIP3 H2 6958 -1.983 -3.012 -3.280 + 217TIP3 OH2 6959 -2.376 -3.662 -3.763 + 217TIP3 H1 6960 -2.414 -3.574 -3.752 + 217TIP3 H2 6961 -2.448 -3.709 -3.807 + 218TIP3 OH2 6962 -2.297 -3.415 -3.580 + 218TIP3 H1 6963 -2.281 -3.497 -3.530 + 218TIP3 H2 6964 -2.213 -3.403 -3.625 + 219TIP3 OH2 6965 -1.314 -2.612 -3.431 + 219TIP3 H1 6966 -1.257 -2.684 -3.463 + 219TIP3 H2 6967 -1.343 -2.645 -3.346 + 220TIP3 OH2 6968 -1.541 -3.171 -3.264 + 220TIP3 H1 6969 -1.508 -3.243 -3.321 + 220TIP3 H2 6970 -1.460 -3.156 -3.211 + 221TIP3 OH2 6971 -0.687 -4.013 -3.209 + 221TIP3 H1 6972 -0.651 -3.977 -3.126 + 221TIP3 H2 6973 -0.617 -3.988 -3.271 + 222TIP3 OH2 6974 -1.211 -3.740 -3.212 + 222TIP3 H1 6975 -1.193 -3.835 -3.210 + 222TIP3 H2 6976 -1.221 -3.725 -3.307 + 223TIP3 OH2 6977 -1.917 -3.941 -3.502 + 223TIP3 H1 6978 -1.899 -3.856 -3.548 + 223TIP3 H2 6979 -1.949 -3.995 -3.577 + 224TIP3 OH2 6980 -1.128 -3.922 -3.671 + 224TIP3 H1 6981 -1.068 -3.967 -3.607 + 224TIP3 H2 6982 -1.063 -3.878 -3.728 + 225TIP3 OH2 6983 -2.244 -3.662 -3.455 + 225TIP3 H1 6984 -2.184 -3.711 -3.396 + 225TIP3 H2 6985 -2.236 -3.713 -3.537 + 226TIP3 OH2 6986 -1.706 -3.525 -3.509 + 226TIP3 H1 6987 -1.636 -3.581 -3.469 + 226TIP3 H2 6988 -1.757 -3.592 -3.558 + 227TIP3 OH2 6989 -0.591 -3.845 -2.942 + 227TIP3 H1 6990 -0.670 -3.798 -2.974 + 227TIP3 H2 6991 -0.627 -3.892 -2.866 + 228TIP3 OH2 6992 -2.034 -4.056 -3.087 + 228TIP3 H1 6993 -2.069 -4.001 -3.159 + 228TIP3 H2 6994 -2.101 -4.037 -3.018 + 229TIP3 OH2 6995 -1.283 -3.081 -3.751 + 229TIP3 H1 6996 -1.314 -3.102 -3.840 + 229TIP3 H2 6997 -1.330 -2.998 -3.732 + 230TIP3 OH2 6998 -1.740 -3.269 -3.076 + 230TIP3 H1 6999 -1.814 -3.211 -3.050 + 230TIP3 H2 7000 -1.679 -3.207 -3.120 + 231TIP3 OH2 7001 -0.938 -4.012 -3.468 + 231TIP3 H1 7002 -0.985 -4.062 -3.400 + 231TIP3 H2 7003 -0.887 -3.950 -3.413 + 232TIP3 OH2 7004 -2.074 -3.855 -3.293 + 232TIP3 H1 7005 -2.010 -3.795 -3.249 + 232TIP3 H2 7006 -2.017 -3.890 -3.365 + 233TIP3 OH2 7007 -1.942 -3.083 -3.005 + 233TIP3 H1 7008 -1.945 -2.990 -3.034 + 233TIP3 H2 7009 -2.028 -3.089 -2.960 + 234TIP3 OH2 7010 -2.311 -3.113 -3.917 + 234TIP3 H1 7011 -2.327 -3.072 -4.004 + 234TIP3 H2 7012 -2.296 -3.036 -3.858 + 235TIP3 OH2 7013 -0.963 -2.968 -3.240 + 235TIP3 H1 7014 -1.060 -2.957 -3.235 + 235TIP3 H2 7015 -0.938 -2.881 -3.275 + 236TIP3 OH2 7016 -0.923 -4.108 -3.065 + 236TIP3 H1 7017 -1.004 -4.078 -3.109 + 236TIP3 H2 7018 -0.857 -4.097 -3.136 + 237TIP3 OH2 7019 -1.612 4.381 -3.363 + 237TIP3 H1 7020 -1.615 4.286 -3.353 + 237TIP3 H2 7021 -1.700 4.412 -3.332 + 238TIP3 OH2 7022 -1.135 -2.774 -3.581 + 238TIP3 H1 7023 -1.087 -2.852 -3.614 + 238TIP3 H2 7024 -1.068 -2.704 -3.593 + 239TIP3 OH2 7025 -0.988 -2.989 -3.721 + 239TIP3 H1 7026 -1.045 -3.031 -3.787 + 239TIP3 H2 7027 -0.995 -3.051 -3.646 + 240TIP3 OH2 7028 -0.833 -3.105 -2.871 + 240TIP3 H1 7029 -0.848 -3.170 -2.942 + 240TIP3 H2 7030 -0.826 -3.021 -2.920 + 241TIP3 OH2 7031 -1.407 -3.418 -3.906 + 241TIP3 H1 7032 -1.473 -3.354 -3.938 + 241TIP3 H2 7033 -1.335 -3.406 -3.970 + 242TIP3 OH2 7034 -1.388 -3.593 -4.208 + 242TIP3 H1 7035 -1.321 -3.563 -4.145 + 242TIP3 H2 7036 -1.334 -3.654 -4.263 + 243TIP3 OH2 7037 -0.651 -3.480 -3.087 + 243TIP3 H1 7038 -0.729 -3.422 -3.071 + 243TIP3 H2 7039 -0.621 -3.447 -3.173 + 244TIP3 OH2 7040 -1.058 -3.414 -3.794 + 244TIP3 H1 7041 -1.128 -3.392 -3.729 + 244TIP3 H2 7042 -1.001 -3.472 -3.741 + 245TIP3 OH2 7043 -1.073 -3.561 -2.910 + 245TIP3 H1 7044 -1.070 -3.480 -2.857 + 245TIP3 H2 7045 -1.140 -3.533 -2.976 + 246TIP3 OH2 7046 -1.899 -3.337 -3.615 + 246TIP3 H1 7047 -1.930 -3.380 -3.698 + 246TIP3 H2 7048 -1.834 -3.402 -3.582 + 247TIP3 OH2 7049 -1.762 -2.996 -3.342 + 247TIP3 H1 7050 -1.774 -3.036 -3.430 + 247TIP3 H2 7051 -1.683 -3.043 -3.309 + 248TIP3 OH2 7052 -1.839 -3.457 -3.267 + 248TIP3 H1 7053 -1.782 -3.453 -3.346 + 248TIP3 H2 7054 -1.801 -3.389 -3.208 + 249TIP3 OH2 7055 -1.242 -2.906 -3.209 + 249TIP3 H1 7056 -1.243 -2.838 -3.139 + 249TIP3 H2 7057 -1.269 -2.987 -3.162 + 250TIP3 OH2 7058 -1.756 -3.024 -2.784 + 250TIP3 H1 7059 -1.807 -2.958 -2.734 + 250TIP3 H2 7060 -1.821 -3.051 -2.852 + 251TIP3 OH2 7061 -1.149 -3.470 -4.056 + 251TIP3 H1 7062 -1.109 -3.443 -3.971 + 251TIP3 H2 7063 -1.092 -3.424 -4.120 + 252TIP3 OH2 7064 -2.063 -3.384 -2.872 + 252TIP3 H1 7065 -2.058 -3.327 -2.793 + 252TIP3 H2 7066 -2.159 -3.398 -2.879 + 253TIP3 OH2 7067 -1.418 -2.810 -3.693 + 253TIP3 H1 7068 -1.369 -2.780 -3.616 + 253TIP3 H2 7069 -1.465 -2.730 -3.721 + 254TIP3 OH2 7070 -1.946 -2.806 -2.701 + 254TIP3 H1 7071 -1.958 -2.803 -2.798 + 254TIP3 H2 7072 -2.034 -2.833 -2.668 + 255TIP3 OH2 7073 -0.827 -4.339 -4.124 + 255TIP3 H1 7074 -0.878 -4.330 -4.042 + 255TIP3 H2 7075 -0.766 -4.265 -4.115 + 256TIP3 OH2 7076 -2.006 -3.462 -3.863 + 256TIP3 H1 7077 -2.030 -3.386 -3.919 + 256TIP3 H2 7078 -2.073 -3.527 -3.888 + 257TIP3 OH2 7079 -0.708 -2.885 -4.244 + 257TIP3 H1 7080 -0.684 -2.795 -4.217 + 257TIP3 H2 7081 -0.622 -2.931 -4.241 + 258TIP3 OH2 7082 -2.401 -3.196 -2.990 + 258TIP3 H1 7083 -2.445 -3.199 -3.077 + 258TIP3 H2 7084 -2.387 -3.291 -2.972 + 259TIP3 OH2 7085 -2.395 -2.904 -3.296 + 259TIP3 H1 7086 -2.303 -2.932 -3.292 + 259TIP3 H2 7087 -2.399 -2.844 -3.220 + 260TIP3 OH2 7088 -0.557 -2.842 -2.719 + 260TIP3 H1 7089 -0.568 -2.937 -2.737 + 260TIP3 H2 7090 -0.648 -2.818 -2.691 + 261TIP3 OH2 7091 -1.492 -2.919 -2.840 + 261TIP3 H1 7092 -1.485 -2.837 -2.787 + 261TIP3 H2 7093 -1.582 -2.950 -2.817 + 262TIP3 OH2 7094 -1.459 -2.539 -3.845 + 262TIP3 H1 7095 -1.465 -2.531 -3.942 + 262TIP3 H2 7096 -1.456 -2.447 -3.815 + 263TIP3 OH2 7097 -2.085 -2.623 -3.679 + 263TIP3 H1 7098 -2.067 -2.669 -3.594 + 263TIP3 H2 7099 -2.167 -2.667 -3.705 + 264TIP3 OH2 7100 -1.138 -2.562 -4.108 + 264TIP3 H1 7101 -1.101 -2.622 -4.177 + 264TIP3 H2 7102 -1.147 -2.624 -4.033 + 265TIP3 OH2 7103 -1.192 -2.659 -3.857 + 265TIP3 H1 7104 -1.285 -2.638 -3.838 + 265TIP3 H2 7105 -1.173 -2.725 -3.788 + 266TIP3 OH2 7106 -0.876 -3.707 -2.681 + 266TIP3 H1 7107 -0.930 -3.670 -2.752 + 266TIP3 H2 7108 -0.870 -3.801 -2.708 + 267TIP3 OH2 7109 -2.181 -3.041 -2.866 + 267TIP3 H1 7110 -2.155 -3.087 -2.784 + 267TIP3 H2 7111 -2.255 -3.096 -2.898 + 268TIP3 OH2 7112 -1.860 -4.219 -3.274 + 268TIP3 H1 7113 -1.943 -4.243 -3.319 + 268TIP3 H2 7114 -1.887 -4.136 -3.231 + 269TIP3 OH2 7115 -1.406 -4.260 -2.915 + 269TIP3 H1 7116 -1.385 -4.311 -2.836 + 269TIP3 H2 7117 -1.500 -4.278 -2.926 + 270TIP3 OH2 7118 -1.107 -3.862 -2.873 + 270TIP3 H1 7119 -1.166 -3.875 -2.797 + 270TIP3 H2 7120 -1.115 -3.767 -2.891 + 271TIP3 OH2 7121 -0.917 -3.391 -4.256 + 271TIP3 H1 7122 -0.978 -3.405 -4.330 + 271TIP3 H2 7123 -0.901 -3.296 -4.267 + 272TIP3 OH2 7124 -1.441 -3.999 -4.217 + 272TIP3 H1 7125 -1.496 -3.994 -4.136 + 272TIP3 H2 7126 -1.492 -4.066 -4.265 + 273TIP3 OH2 7127 -1.877 -3.716 -3.148 + 273TIP3 H1 7128 -1.935 -3.703 -3.071 + 273TIP3 H2 7129 -1.869 -3.624 -3.183 + 274TIP3 OH2 7130 -1.882 -3.708 -3.659 + 274TIP3 H1 7131 -1.977 -3.719 -3.675 + 274TIP3 H2 7132 -1.847 -3.727 -3.749 + 275TIP3 OH2 7133 -1.313 -3.653 -3.786 + 275TIP3 H1 7134 -1.355 -3.571 -3.818 + 275TIP3 H2 7135 -1.251 -3.673 -3.857 + 276TIP3 OH2 7136 -1.401 -3.632 -2.649 + 276TIP3 H1 7137 -1.453 -3.706 -2.611 + 276TIP3 H2 7138 -1.315 -3.644 -2.605 + 277TIP3 OH2 7139 -1.234 -3.711 -3.505 + 277TIP3 H1 7140 -1.263 -3.654 -3.579 + 277TIP3 H2 7141 -1.214 -3.793 -3.555 + 278TIP3 OH2 7142 -2.140 -3.697 -2.966 + 278TIP3 H1 7143 -2.113 -3.669 -2.877 + 278TIP3 H2 7144 -2.179 -3.784 -2.946 + 279TIP3 OH2 7145 -1.769 -3.959 -4.317 + 279TIP3 H1 7146 -1.799 -3.987 -4.228 + 279TIP3 H2 7147 -1.845 -3.905 -4.346 + 280TIP3 OH2 7148 -2.460 -3.956 -3.602 + 280TIP3 H1 7149 -2.403 -3.956 -3.523 + 280TIP3 H2 7150 -2.404 -3.994 -3.670 + 281TIP3 OH2 7151 -2.303 -3.911 -4.038 + 281TIP3 H1 7152 -2.246 -3.862 -4.100 + 281TIP3 H2 7153 -2.369 -3.842 -4.016 + 282TIP3 OH2 7154 -1.324 -3.543 -3.057 + 282TIP3 H1 7155 -1.282 -3.617 -3.108 + 282TIP3 H2 7156 -1.360 -3.591 -2.981 + 283TIP3 OH2 7157 -1.605 -3.941 -3.560 + 283TIP3 H1 7158 -1.698 -3.959 -3.539 + 283TIP3 H2 7159 -1.561 -3.973 -3.479 + 284TIP3 OH2 7160 -2.147 -3.828 -3.690 + 284TIP3 H1 7161 -2.229 -3.800 -3.735 + 284TIP3 H2 7162 -2.120 -3.909 -3.737 + 285TIP3 OH2 7163 -1.788 -3.785 -3.921 + 285TIP3 H1 7164 -1.691 -3.783 -3.917 + 285TIP3 H2 7165 -1.811 -3.729 -3.997 + 286TIP3 OH2 7166 -1.171 -4.032 -3.256 + 286TIP3 H1 7167 -1.234 -4.035 -3.181 + 286TIP3 H2 7168 -1.228 -4.064 -3.327 + 287TIP3 OH2 7169 -1.926 -3.676 -4.157 + 287TIP3 H1 7170 -1.992 -3.721 -4.213 + 287TIP3 H2 7171 -1.856 -3.653 -4.220 + 288TIP3 OH2 7172 -0.864 -2.456 -2.587 + 288TIP3 H1 7173 -0.846 -2.411 -2.672 + 288TIP3 H2 7174 -0.790 -2.426 -2.533 + 289TIP3 OH2 7175 -2.074 -3.194 -2.647 + 289TIP3 H1 7176 -2.007 -3.186 -2.576 + 289TIP3 H2 7177 -2.155 -3.197 -2.591 + 290TIP3 OH2 7178 -1.502 -3.693 -3.373 + 290TIP3 H1 7179 -1.432 -3.739 -3.422 + 290TIP3 H2 7180 -1.521 -3.756 -3.301 + 291TIP3 OH2 7181 -1.988 -4.066 -3.757 + 291TIP3 H1 7182 -2.034 -4.151 -3.743 + 291TIP3 H2 7183 -1.901 -4.095 -3.788 + 292TIP3 OH2 7184 -1.606 -3.848 -3.150 + 292TIP3 H1 7185 -1.683 -3.788 -3.148 + 292TIP3 H2 7186 -1.557 -3.822 -3.069 + 293TIP3 OH2 7187 -1.591 -3.212 -3.960 + 293TIP3 H1 7188 -1.669 -3.260 -3.994 + 293TIP3 H2 7189 -1.611 -3.205 -3.864 + 294TIP3 OH2 7190 -0.868 -3.296 -3.088 + 294TIP3 H1 7191 -0.821 -3.240 -3.153 + 294TIP3 H2 7192 -0.955 -3.307 -3.131 + 295TIP3 OH2 7193 -1.171 -3.929 -4.187 + 295TIP3 H1 7194 -1.268 -3.937 -4.188 + 295TIP3 H2 7195 -1.153 -3.856 -4.126 + 296TIP3 OH2 7196 -1.426 -3.208 -2.829 + 296TIP3 H1 7197 -1.458 -3.241 -2.743 + 296TIP3 H2 7198 -1.459 -3.116 -2.828 + 297TIP3 OH2 7199 -1.115 -3.749 -3.988 + 297TIP3 H1 7200 -1.029 -3.765 -3.945 + 297TIP3 H2 7201 -1.102 -3.661 -4.029 + 298TIP3 OH2 7202 -2.078 -3.270 -3.378 + 298TIP3 H1 7203 -2.022 -3.282 -3.457 + 298TIP3 H2 7204 -2.068 -3.356 -3.334 + 299TIP3 OH2 7205 -1.343 -3.076 -4.064 + 299TIP3 H1 7206 -1.374 -2.987 -4.038 + 299TIP3 H2 7207 -1.423 -3.128 -4.047 + 300TIP3 OH2 7208 -2.353 -3.443 -2.852 + 300TIP3 H1 7209 -2.336 -3.487 -2.766 + 300TIP3 H2 7210 -2.412 -3.506 -2.897 + 301TIP3 OH2 7211 -1.655 -3.491 -2.654 + 301TIP3 H1 7212 -1.690 -3.518 -2.741 + 301TIP3 H2 7213 -1.562 -3.520 -2.662 + 302TIP3 OH2 7214 -1.201 -2.948 -2.881 + 302TIP3 H1 7215 -1.298 -2.941 -2.888 + 302TIP3 H2 7216 -1.186 -2.924 -2.788 + 303TIP3 OH2 7217 -0.640 -3.735 -3.998 + 303TIP3 H1 7218 -0.704 -3.760 -4.068 + 303TIP3 H2 7219 -0.635 -3.640 -4.018 + 304TIP3 OH2 7220 -0.603 -3.140 -2.723 + 304TIP3 H1 7221 -0.696 -3.119 -2.743 + 304TIP3 H2 7222 -0.568 -3.158 -2.812 + 305TIP3 OH2 7223 -0.817 -2.882 -3.987 + 305TIP3 H1 7224 -0.852 -2.959 -3.941 + 305TIP3 H2 7225 -0.791 -2.917 -4.074 + 306TIP3 OH2 7226 -1.103 -3.351 -3.257 + 306TIP3 H1 7227 -1.197 -3.366 -3.280 + 306TIP3 H2 7228 -1.061 -3.423 -3.306 + 307TIP3 OH2 7229 -1.840 -2.942 -3.653 + 307TIP3 H1 7230 -1.799 -2.855 -3.665 + 307TIP3 H2 7231 -1.932 -2.924 -3.676 + 308TIP3 OH2 7232 -2.234 -3.451 -4.198 + 308TIP3 H1 7233 -2.178 -3.385 -4.154 + 308TIP3 H2 7234 -2.323 -3.427 -4.166 + 309TIP3 OH2 7235 -1.657 -3.173 -3.690 + 309TIP3 H1 7236 -1.687 -3.082 -3.676 + 309TIP3 H2 7237 -1.728 -3.223 -3.647 + 310TIP3 OH2 7238 -1.641 -2.747 -3.055 + 310TIP3 H1 7239 -1.585 -2.672 -3.082 + 310TIP3 H2 7240 -1.580 -2.796 -2.998 + 311TIP3 OH2 7241 -1.796 -2.653 -3.730 + 311TIP3 H1 7242 -1.892 -2.638 -3.726 + 311TIP3 H2 7243 -1.762 -2.564 -3.708 + 312TIP3 OH2 7244 -1.300 -3.172 -3.098 + 312TIP3 H1 7245 -1.330 -3.199 -3.009 + 312TIP3 H2 7246 -1.227 -3.234 -3.114 + 313TIP3 OH2 7247 -1.086 -3.033 -4.199 + 313TIP3 H1 7248 -1.036 -3.079 -4.128 + 313TIP3 H2 7249 -1.176 -3.051 -4.168 + 314TIP3 OH2 7250 -1.004 -2.716 -2.860 + 314TIP3 H1 7251 -1.081 -2.761 -2.899 + 314TIP3 H2 7252 -0.997 -2.635 -2.915 + 315TIP3 OH2 7253 -0.594 -2.593 -4.153 + 315TIP3 H1 7254 -0.525 -2.525 -4.139 + 315TIP3 H2 7255 -0.676 -2.541 -4.137 + 316TIP3 OH2 7256 -2.219 -3.961 -2.894 + 316TIP3 H1 7257 -2.310 -3.944 -2.925 + 316TIP3 H2 7258 -2.234 -4.047 -2.848 + 317TIP3 OH2 7259 -0.983 -3.185 -3.973 + 317TIP3 H1 7260 -1.014 -3.251 -3.908 + 317TIP3 H2 7261 -0.887 -3.187 -3.958 + 318TIP3 OH2 7262 -2.244 -2.803 -3.051 + 318TIP3 H1 7263 -2.215 -2.894 -3.033 + 318TIP3 H2 7264 -2.224 -2.762 -2.966 + 319TIP3 OH2 7265 -1.627 -2.951 -4.328 + 319TIP3 H1 7266 -1.597 -3.041 -4.351 + 319TIP3 H2 7267 -1.685 -2.970 -4.252 + 320TIP3 OH2 7268 -1.779 -2.986 -4.076 + 320TIP3 H1 7269 -1.726 -3.036 -4.013 + 320TIP3 H2 7270 -1.759 -2.893 -4.050 + 321TIP3 OH2 7271 -2.091 -3.248 -4.033 + 321TIP3 H1 7272 -2.167 -3.206 -3.988 + 321TIP3 H2 7273 -2.047 -3.170 -4.071 + 322TIP3 OH2 7274 -1.330 -4.008 -3.026 + 322TIP3 H1 7275 -1.267 -3.982 -2.957 + 322TIP3 H2 7276 -1.366 -4.092 -2.992 + 323TIP3 OH2 7277 -1.253 -4.049 -3.922 + 323TIP3 H1 7278 -1.232 -3.991 -3.997 + 323TIP3 H2 7279 -1.214 -4.000 -3.847 + 324TIP3 OH2 7280 -1.482 -2.826 -4.025 + 324TIP3 H1 7281 -1.563 -2.776 -4.005 + 324TIP3 H2 7282 -1.434 -2.762 -4.080 + 325TIP3 OH2 7283 -1.518 -3.849 -3.812 + 325TIP3 H1 7284 -1.442 -3.790 -3.798 + 325TIP3 H2 7285 -1.548 -3.866 -3.721 + 326TIP3 OH2 7286 -1.481 -3.759 -2.901 + 326TIP3 H1 7287 -1.475 -3.710 -2.817 + 326TIP3 H2 7288 -1.428 -3.837 -2.882 + 327TIP3 OH2 7289 -1.442 -4.171 -3.714 + 327TIP3 H1 7290 -1.475 -4.096 -3.662 + 327TIP3 H2 7291 -1.389 -4.126 -3.782 + 328TIP3 OH2 7292 -1.756 -2.709 -4.023 + 328TIP3 H1 7293 -1.765 -2.625 -4.074 + 328TIP3 H2 7294 -1.776 -2.679 -3.933 + 329TIP3 OH2 7295 -1.889 -4.043 -4.075 + 329TIP3 H1 7296 -1.894 -3.966 -4.015 + 329TIP3 H2 7297 -1.806 -4.084 -4.044 + 330TIP3 OH2 7298 -0.845 -3.962 -2.819 + 330TIP3 H1 7299 -0.942 -3.952 -2.827 + 330TIP3 H2 7300 -0.826 -3.992 -2.909 + 331TIP3 OH2 7301 -1.002 -3.574 -3.413 + 331TIP3 H1 7302 -1.085 -3.619 -3.437 + 331TIP3 H2 7303 -0.954 -3.645 -3.364 + 332TIP3 OH2 7304 -2.056 -2.950 -4.155 + 332TIP3 H1 7305 -1.971 -2.924 -4.115 + 332TIP3 H2 7306 -2.025 -2.995 -4.235 + 333TIP3 OH2 7307 -2.228 -3.734 -4.251 + 333TIP3 H1 7308 -2.214 -3.638 -4.238 + 333TIP3 H2 7309 -2.317 -3.734 -4.290 + 334TIP3 OH2 7310 -0.901 -2.690 -3.270 + 334TIP3 H1 7311 -0.920 -2.609 -3.320 + 334TIP3 H2 7312 -0.808 -2.673 -3.245 + 335TIP3 OH2 7313 -2.221 -4.242 -3.353 + 335TIP3 H1 7314 -2.180 -4.244 -3.441 + 335TIP3 H2 7315 -2.201 -4.332 -3.325 + 336TIP3 OH2 7316 -2.250 -2.883 -3.743 + 336TIP3 H1 7317 -2.331 -2.834 -3.727 + 336TIP3 H2 7318 -2.214 -2.837 -3.820 + 337TIP3 OH2 7319 -2.311 -2.598 -2.630 + 337TIP3 H1 7320 -2.253 -2.625 -2.556 + 337TIP3 H2 7321 -2.350 -2.684 -2.656 + 338TIP3 OH2 7322 -1.839 -2.689 -2.451 + 338TIP3 H1 7323 -1.774 -2.756 -2.428 + 338TIP3 H2 7324 -1.865 -2.718 -2.541 + 339TIP3 OH2 7325 -1.418 -2.754 -4.326 + 339TIP3 H1 7326 -1.502 -2.805 -4.332 + 339TIP3 H2 7327 -1.355 -2.821 -4.356 + 340TIP3 OH2 7328 -1.192 -2.867 -2.594 + 340TIP3 H1 7329 -1.235 -2.946 -2.556 + 340TIP3 H2 7330 -1.127 -2.844 -2.526 + 341TIP3 OH2 7331 -1.057 -2.757 -4.278 + 341TIP3 H1 7332 -1.057 -2.851 -4.253 + 341TIP3 H2 7333 -0.991 -2.751 -4.347 + 342TIP3 OH2 7334 -2.315 -3.235 -2.517 + 342TIP3 H1 7335 -2.307 -3.326 -2.550 + 342TIP3 H2 7336 -2.393 -3.204 -2.568 + 343TIP3 OH2 7337 -1.899 -3.204 -4.308 + 343TIP3 H1 7338 -1.854 -3.244 -4.232 + 343TIP3 H2 7339 -1.828 -3.179 -4.370 + 344TIP3 OH2 7340 -1.651 -3.215 -2.583 + 344TIP3 H1 7341 -1.684 -3.183 -2.669 + 344TIP3 H2 7342 -1.645 -3.312 -2.597 + 345TIP3 OH2 7343 -1.335 -3.081 4.296 + 345TIP3 H1 7344 -1.346 -3.064 4.389 + 345TIP3 H2 7345 -1.342 -3.177 4.290 + 346TIP3 OH2 7346 -1.116 -3.255 -2.844 + 346TIP3 H1 7347 -1.039 -3.198 -2.862 + 346TIP3 H2 7348 -1.188 -3.190 -2.845 + 347TIP3 OH2 7349 -2.229 -3.522 -2.600 + 347TIP3 H1 7350 -2.155 -3.586 -2.598 + 347TIP3 H2 7351 -2.234 -3.499 -2.506 + 348TIP3 OH2 7352 -1.784 -3.384 -4.093 + 348TIP3 H1 7353 -1.848 -3.426 -4.033 + 348TIP3 H2 7354 -1.753 -3.461 -4.145 + 349TIP3 OH2 7355 -1.865 -3.609 -2.857 + 349TIP3 H1 7356 -1.918 -3.530 -2.836 + 349TIP3 H2 7357 -1.799 -3.572 -2.919 + 350TIP3 OH2 7358 -1.663 -3.571 -4.275 + 350TIP3 H1 7359 -1.664 -3.598 -4.368 + 350TIP3 H2 7360 -1.567 -3.581 -4.254 + 351TIP3 OH2 7361 -1.333 -3.338 -2.501 + 351TIP3 H1 7362 -1.243 -3.358 -2.530 + 351TIP3 H2 7363 -1.359 -3.421 -2.459 + 352TIP3 OH2 7364 -1.805 -3.879 -2.746 + 352TIP3 H1 7365 -1.797 -3.944 -2.817 + 352TIP3 H2 7366 -1.826 -3.798 -2.795 + 353TIP3 OH2 7367 -1.767 -4.037 -3.003 + 353TIP3 H1 7368 -1.714 -3.982 -3.065 + 353TIP3 H2 7369 -1.858 -4.027 -3.037 + 354TIP3 OH2 7370 -1.617 -3.487 -2.957 + 354TIP3 H1 7371 -1.533 -3.495 -3.005 + 354TIP3 H2 7372 -1.648 -3.400 -2.987 + 355TIP3 OH2 7373 -1.159 -3.693 -2.481 + 355TIP3 H1 7374 -1.141 -3.786 -2.460 + 355TIP3 H2 7375 -1.069 -3.656 -2.482 + 356TIP3 OH2 7376 -1.061 -3.414 -2.629 + 356TIP3 H1 7377 -1.096 -3.354 -2.698 + 356TIP3 H2 7378 -0.972 -3.431 -2.667 + 357TIP3 OH2 7379 -1.983 -3.696 -2.563 + 357TIP3 H1 7380 -2.036 -3.777 -2.561 + 357TIP3 H2 7381 -1.903 -3.726 -2.607 + 358TIP3 OH2 7382 -1.718 -4.278 -2.882 + 358TIP3 H1 7383 -1.707 -4.187 -2.916 + 358TIP3 H2 7384 -1.811 -4.292 -2.903 + 359TIP3 OH2 7385 -1.571 -3.843 -2.586 + 359TIP3 H1 7386 -1.602 -3.871 -2.497 + 359TIP3 H2 7387 -1.652 -3.863 -2.637 + 360TIP3 OH2 7388 -1.312 -3.944 -2.687 + 360TIP3 H1 7389 -1.401 -3.931 -2.650 + 360TIP3 H2 7390 -1.275 -4.010 -2.625 + 361TIP3 OH2 7391 -1.138 -4.136 -2.518 + 361TIP3 H1 7392 -1.155 -4.224 -2.481 + 361TIP3 H2 7393 -1.154 -4.077 -2.443 + 362TIP3 OH2 7394 -2.106 -3.959 -2.575 + 362TIP3 H1 7395 -2.131 -4.021 -2.646 + 362TIP3 H2 7396 -2.148 -3.998 -2.497 + 363TIP3 OH2 7397 -1.608 -4.145 -2.476 + 363TIP3 H1 7398 -1.631 -4.228 -2.522 + 363TIP3 H2 7399 -1.694 -4.100 -2.469 + 364TIP3 OH2 7400 -1.707 -2.452 -4.167 + 364TIP3 H1 7401 -1.610 -2.448 -4.166 + 364TIP3 H2 7402 -1.732 -2.400 -4.246 + 365TIP3 OH2 7403 -2.316 -3.060 -4.194 + 365TIP3 H1 7404 -2.229 -3.015 -4.196 + 365TIP3 H2 7405 -2.316 -3.107 -4.279 + 366TIP3 OH2 7406 -2.425 -2.498 -3.716 + 366TIP3 H1 7407 -2.496 -2.535 -3.771 + 366TIP3 H2 7408 -2.413 -2.568 -3.649 + 367TIP3 OH2 7409 -2.385 -2.697 -3.520 + 367TIP3 H1 7410 -2.413 -2.786 -3.490 + 367TIP3 H2 7411 -2.349 -2.664 -3.436 + 368TIP3 OH2 7412 -0.629 -2.574 -3.219 + 368TIP3 H1 7413 -0.614 -2.573 -3.124 + 368TIP3 H2 7414 -0.545 -2.542 -3.252 + 369TIP3 OH2 7415 -0.640 -2.628 -2.932 + 369TIP3 H1 7416 -0.692 -2.703 -2.967 + 369TIP3 H2 7417 -0.585 -2.674 -2.867 + 370TIP3 OH2 7418 -0.839 -3.085 -2.502 + 370TIP3 H1 7419 -0.928 -3.078 -2.463 + 370TIP3 H2 7420 -0.795 -3.004 -2.471 + 371TIP3 OH2 7421 -0.697 -3.211 -3.927 + 371TIP3 H1 7422 -0.609 -3.170 -3.914 + 371TIP3 H2 7423 -0.703 -3.267 -3.848 + 372TIP3 OH2 7424 -0.627 -3.407 -3.702 + 372TIP3 H1 7425 -0.709 -3.454 -3.679 + 372TIP3 H2 7426 -0.577 -3.409 -3.619 + 373TIP3 OH2 7427 -0.673 -3.157 -3.233 + 373TIP3 H1 7428 -0.612 -3.197 -3.297 + 373TIP3 H2 7429 -0.672 -3.064 -3.260 + 374TIP3 OH2 7430 -0.811 -2.858 -3.009 + 374TIP3 H1 7431 -0.883 -2.816 -2.960 + 374TIP3 H2 7432 -0.858 -2.892 -3.088 + 375TIP3 OH2 7433 -0.624 -3.431 -4.113 + 375TIP3 H1 7434 -0.697 -3.408 -4.173 + 375TIP3 H2 7435 -0.640 -3.366 -4.043 + 376TIP3 OH2 7436 -0.804 -3.697 -4.215 + 376TIP3 H1 7437 -0.780 -3.625 -4.276 + 376TIP3 H2 7438 -0.771 -3.774 -4.261 + 377TIP3 OH2 7439 -0.851 -3.578 -3.651 + 377TIP3 H1 7440 -0.861 -3.672 -3.672 + 377TIP3 H2 7441 -0.894 -3.572 -3.563 + 378TIP3 OH2 7442 -2.376 -3.363 -3.280 + 378TIP3 H1 7443 -2.351 -3.359 -3.374 + 378TIP3 H2 7444 -2.290 -3.386 -3.239 + 379TIP3 OH2 7445 -0.800 -3.393 -2.738 + 379TIP3 H1 7446 -0.727 -3.455 -2.719 + 379TIP3 H2 7447 -0.753 -3.310 -2.753 + 380TIP3 OH2 7448 -0.644 -3.583 -2.614 + 380TIP3 H1 7449 -0.724 -3.636 -2.638 + 380TIP3 H2 7450 -0.575 -3.652 -2.616 + 381TIP3 OH2 7451 -0.886 -4.020 -4.340 + 381TIP3 H1 7452 -0.827 -4.045 -4.267 + 381TIP3 H2 7453 -0.974 -4.048 -4.310 + 382TIP3 OH2 7454 -0.882 -3.823 -3.833 + 382TIP3 H1 7455 -0.864 -3.920 -3.825 + 382TIP3 H2 7456 -0.797 -3.793 -3.871 + 383TIP3 OH2 7457 -0.851 -3.770 -3.292 + 383TIP3 H1 7458 -0.753 -3.772 -3.292 + 383TIP3 H2 7459 -0.867 -3.777 -3.196 + 384TIP3 OH2 7460 -0.836 -3.704 -3.007 + 384TIP3 H1 7461 -0.921 -3.665 -2.980 + 384TIP3 H2 7462 -0.784 -3.626 -3.028 + 385TIP3 OH2 7463 -2.392 -3.836 -2.629 + 385TIP3 H1 7464 -2.299 -3.858 -2.643 + 385TIP3 H2 7465 -2.434 -3.923 -2.630 + 386TIP3 OH2 7466 -0.619 -4.275 -2.428 + 386TIP3 H1 7467 -0.573 -4.356 -2.451 + 386TIP3 H2 7468 -0.618 -4.218 -2.508 + 387TIP3 OH2 7469 -0.850 -4.095 -3.822 + 387TIP3 H1 7470 -0.821 -4.148 -3.746 + 387TIP3 H2 7471 -0.910 -4.157 -3.866 + 388TIP3 OH2 7472 -2.316 -3.990 -3.360 + 388TIP3 H1 7473 -2.285 -4.082 -3.350 + 388TIP3 H2 7474 -2.241 -3.940 -3.322 + 389TIP3 OH2 7475 -2.456 -3.727 -3.258 + 389TIP3 H1 7476 -2.395 -3.733 -3.333 + 389TIP3 H2 7477 -2.417 -3.654 -3.208 + 390TIP3 OH2 7478 -0.642 -4.111 -2.645 + 390TIP3 H1 7479 -0.727 -4.065 -2.638 + 390TIP3 H2 7480 -0.652 -4.148 -2.735 + 391TIP3 OH2 7481 -0.631 -4.073 -4.174 + 391TIP3 H1 7482 -0.605 -4.145 -4.233 + 391TIP3 H2 7483 -0.548 -4.022 -4.166 + 392TIP3 OH2 7484 -2.400 -4.101 -3.853 + 392TIP3 H1 7485 -2.495 -4.095 -3.872 + 392TIP3 H2 7486 -2.362 -4.033 -3.912 + 393TIP3 OH2 7487 -0.943 -2.572 -3.641 + 393TIP3 H1 7488 -0.895 -2.595 -3.722 + 393TIP3 H2 7489 -0.874 -2.530 -3.587 + 394TIP3 OH2 7490 -2.424 -4.127 -3.000 + 394TIP3 H1 7491 -2.425 -4.220 -2.972 + 394TIP3 H2 7492 -2.443 -4.136 -3.095 + 395TIP3 OH2 7493 -2.201 -2.895 -2.568 + 395TIP3 H1 7494 -2.275 -2.898 -2.630 + 395TIP3 H2 7495 -2.245 -2.903 -2.482 + 396TIP3 OH2 7496 -1.917 -2.799 -3.000 + 396TIP3 H1 7497 -1.948 -2.713 -3.034 + 396TIP3 H2 7498 -1.821 -2.789 -3.017 + 397TIP3 OH2 7499 -1.466 -2.668 -2.699 + 397TIP3 H1 7500 -1.453 -2.684 -2.604 + 397TIP3 H2 7501 -1.383 -2.623 -2.723 + 398TIP3 OH2 7502 -1.236 -2.521 -2.774 + 398TIP3 H1 7503 -1.169 -2.587 -2.796 + 398TIP3 H2 7504 -1.207 -2.492 -2.685 + 399TIP3 OH2 7505 -0.778 -4.275 -2.854 + 399TIP3 H1 7506 -0.831 -4.216 -2.911 + 399TIP3 H2 7507 -0.757 -4.344 -2.918 + 400TIP3 OH2 7508 -2.180 -2.503 -2.967 + 400TIP3 H1 7509 -2.240 -2.439 -3.010 + 400TIP3 H2 7510 -2.211 -2.499 -2.876 + 401TIP3 OH2 7511 -1.930 -2.525 -3.111 + 401TIP3 H1 7512 -2.016 -2.507 -3.067 + 401TIP3 H2 7513 -1.927 -2.456 -3.179 + 402TIP3 OH2 7514 -1.455 -2.526 -3.155 + 402TIP3 H1 7515 -1.494 -2.481 -3.233 + 402TIP3 H2 7516 -1.448 -2.451 -3.092 + 403TIP3 OH2 7517 -1.222 -2.654 -3.063 + 403TIP3 H1 7518 -1.307 -2.618 -3.096 + 403TIP3 H2 7519 -1.167 -2.575 -3.065 + 404TIP3 OH2 7520 -0.968 -2.481 -3.044 + 404TIP3 H1 7521 -0.974 -2.386 -3.066 + 404TIP3 H2 7522 -0.942 -2.517 -3.131 + 405TIP3 OH2 7523 -2.222 -2.623 -3.272 + 405TIP3 H1 7524 -2.224 -2.672 -3.187 + 405TIP3 H2 7525 -2.146 -2.667 -3.316 + 406TIP3 OH2 7526 -2.020 -2.747 -3.427 + 406TIP3 H1 7527 -2.036 -2.840 -3.402 + 406TIP3 H2 7528 -1.929 -2.733 -3.396 + 407TIP3 OH2 7529 -1.743 -2.701 -3.339 + 407TIP3 H1 7530 -1.725 -2.794 -3.362 + 407TIP3 H2 7531 -1.737 -2.705 -3.243 + 408TIP3 OH2 7532 -1.415 -4.112 -3.412 + 408TIP3 H1 7533 -1.477 -4.182 -3.383 + 408TIP3 H2 7534 -1.354 -4.162 -3.469 + 409TIP3 OH2 7535 -0.885 -4.327 -3.363 + 409TIP3 H1 7536 -0.826 -4.290 -3.431 + 409TIP3 H2 7537 -0.973 -4.307 -3.398 + 410TIP3 OH2 7538 -0.691 -4.224 -3.583 + 410TIP3 H1 7539 -0.637 -4.248 -3.659 + 410TIP3 H2 7540 -0.672 -4.129 -3.572 + 411TIP3 OH2 7541 -2.179 -4.282 -3.678 + 411TIP3 H1 7542 -2.270 -4.306 -3.699 + 411TIP3 H2 7543 -2.143 -4.364 -3.642 + 412TIP3 OH2 7544 -2.318 -4.282 -4.068 + 412TIP3 H1 7545 -2.266 -4.231 -4.134 + 412TIP3 H2 7546 -2.352 -4.211 -4.011 + 413TIP3 OH2 7547 -1.729 -4.226 -3.652 + 413TIP3 H1 7548 -1.635 -4.235 -3.672 + 413TIP3 H2 7549 -1.743 -4.293 -3.584 + 414TIP3 OH2 7550 -1.172 -4.264 -3.516 + 414TIP3 H1 7551 -1.141 -4.263 -3.607 + 414TIP3 H2 7552 -1.188 -4.358 -3.499 + 415TIP3 OH2 7553 -1.067 -4.270 -3.915 + 415TIP3 H1 7554 -1.141 -4.215 -3.946 + 415TIP3 H2 7555 -1.104 -4.360 -3.919 + 416TIP3 OH2 7556 -2.295 -2.699 -3.960 + 416TIP3 H1 7557 -2.361 -2.698 -4.031 + 416TIP3 H2 7558 -2.282 -2.605 -3.946 + 417TIP3 OH2 7559 -2.128 -4.125 -4.223 + 417TIP3 H1 7560 -2.066 -4.163 -4.286 + 417TIP3 H2 7561 -2.070 -4.063 -4.176 + 418TIP3 OH2 7562 -1.607 -4.057 -3.985 + 418TIP3 H1 7563 -1.597 -4.142 -3.937 + 418TIP3 H2 7564 -1.585 -3.991 -3.917 + 419TIP3 OH2 7565 -1.414 -2.530 -4.147 + 419TIP3 H1 7566 -1.317 -2.518 -4.145 + 419TIP3 H2 7567 -1.422 -2.593 -4.221 + 420TIP3 OH2 7568 -0.749 -2.614 -3.880 + 420TIP3 H1 7569 -0.778 -2.697 -3.924 + 420TIP3 H2 7570 -0.771 -2.547 -3.948 + 421TIP3 OH2 7571 -2.216 -4.178 -2.732 + 421TIP3 H1 7572 -2.262 -4.257 -2.699 + 421TIP3 H2 7573 -2.128 -4.217 -2.744 + 422TIP3 OH2 7574 -1.923 -4.279 -2.467 + 422TIP3 H1 7575 -1.836 -4.305 -2.505 + 422TIP3 H2 7576 -1.946 -4.357 -2.416 + 423TIP3 OH2 7577 -2.050 -2.563 -4.195 + 423TIP3 H1 7578 -2.146 -2.565 -4.182 + 423TIP3 H2 7579 -2.033 -2.647 -4.239 + 424TIP3 OH2 7580 -0.809 -2.734 -2.641 + 424TIP3 H1 7581 -0.883 -2.754 -2.702 + 424TIP3 H2 7582 -0.827 -2.641 -2.620 + 425TIP3 OH2 7583 0.614 -3.366 -3.629 + 425TIP3 H1 7584 0.611 -3.270 -3.617 + 425TIP3 H2 7585 0.535 -3.381 -3.683 + 426TIP3 OH2 7586 0.496 -3.421 -3.320 + 426TIP3 H1 7587 0.497 -3.475 -3.240 + 426TIP3 H2 7588 0.462 -3.487 -3.384 + 427TIP3 OH2 7589 -0.249 -3.452 -3.171 + 427TIP3 H1 7590 -0.261 -3.526 -3.108 + 427TIP3 H2 7591 -0.188 -3.397 -3.119 + 428TIP3 OH2 7592 0.864 -3.148 -3.488 + 428TIP3 H1 7593 0.827 -3.220 -3.435 + 428TIP3 H2 7594 0.894 -3.087 -3.418 + 429TIP3 OH2 7595 -0.185 -3.014 -3.318 + 429TIP3 H1 7596 -0.213 -3.106 -3.323 + 429TIP3 H2 7597 -0.094 -3.023 -3.284 + 430TIP3 OH2 7598 -0.498 -3.658 -3.741 + 430TIP3 H1 7599 -0.535 -3.570 -3.756 + 430TIP3 H2 7600 -0.554 -3.713 -3.797 + 431TIP3 OH2 7601 0.569 -2.613 -3.431 + 431TIP3 H1 7602 0.628 -2.684 -3.463 + 431TIP3 H2 7603 0.544 -2.646 -3.344 + 432TIP3 OH2 7604 0.345 -3.171 -3.263 + 432TIP3 H1 7605 0.377 -3.243 -3.319 + 432TIP3 H2 7606 0.426 -3.155 -3.211 + 433TIP3 OH2 7607 1.202 -4.017 -3.207 + 433TIP3 H1 7608 1.234 -3.972 -3.127 + 433TIP3 H2 7609 1.267 -3.986 -3.273 + 434TIP3 OH2 7610 0.675 -3.739 -3.212 + 434TIP3 H1 7611 0.692 -3.835 -3.210 + 434TIP3 H2 7612 0.660 -3.724 -3.306 + 435TIP3 OH2 7613 0.757 -3.922 -3.672 + 435TIP3 H1 7614 0.815 -3.968 -3.607 + 435TIP3 H2 7615 0.823 -3.878 -3.727 + 436TIP3 OH2 7616 -0.347 -3.615 -3.457 + 436TIP3 H1 7617 -0.293 -3.684 -3.415 + 436TIP3 H2 7618 -0.361 -3.656 -3.545 + 437TIP3 OH2 7619 1.295 -3.848 -2.941 + 437TIP3 H1 7620 1.219 -3.797 -2.975 + 437TIP3 H2 7621 1.256 -3.891 -2.864 + 438TIP3 OH2 7622 -0.148 -4.049 -3.096 + 438TIP3 H1 7623 -0.177 -3.991 -3.169 + 438TIP3 H2 7624 -0.216 -4.028 -3.028 + 439TIP3 OH2 7625 0.599 -3.083 -3.749 + 439TIP3 H1 7626 0.571 -3.104 -3.838 + 439TIP3 H2 7627 0.557 -2.997 -3.733 + 440TIP3 OH2 7628 0.145 -3.270 -3.073 + 440TIP3 H1 7629 0.071 -3.210 -3.054 + 440TIP3 H2 7630 0.208 -3.212 -3.120 + 441TIP3 OH2 7631 0.952 -4.011 -3.469 + 441TIP3 H1 7632 0.904 -4.067 -3.407 + 441TIP3 H2 7633 0.997 -3.949 -3.410 + 442TIP3 OH2 7634 -0.160 -3.872 -3.324 + 442TIP3 H1 7635 -0.101 -3.806 -3.282 + 442TIP3 H2 7636 -0.113 -3.879 -3.409 + 443TIP3 OH2 7637 -0.062 -3.083 -3.016 + 443TIP3 H1 7638 -0.060 -2.987 -3.034 + 443TIP3 H2 7639 -0.143 -3.089 -2.962 + 444TIP3 OH2 7640 -0.427 -3.113 -3.914 + 444TIP3 H1 7641 -0.443 -3.076 -4.003 + 444TIP3 H2 7642 -0.411 -3.035 -3.858 + 445TIP3 OH2 7643 0.920 -2.968 -3.240 + 445TIP3 H1 7644 0.823 -2.955 -3.237 + 445TIP3 H2 7645 0.948 -2.882 -3.275 + 446TIP3 OH2 7646 0.963 -4.109 -3.065 + 446TIP3 H1 7647 0.882 -4.079 -3.110 + 446TIP3 H2 7648 1.028 -4.099 -3.137 + 447TIP3 OH2 7649 0.276 4.370 -3.328 + 447TIP3 H1 7650 0.272 4.286 -3.375 + 447TIP3 H2 7651 0.186 4.407 -3.333 + 448TIP3 OH2 7652 0.749 -2.773 -3.586 + 448TIP3 H1 7653 0.798 -2.853 -3.613 + 448TIP3 H2 7654 0.819 -2.705 -3.590 + 449TIP3 OH2 7655 0.895 -2.986 -3.719 + 449TIP3 H1 7656 0.845 -3.033 -3.787 + 449TIP3 H2 7657 0.891 -3.050 -3.645 + 450TIP3 OH2 7658 1.050 -3.105 -2.871 + 450TIP3 H1 7659 1.039 -3.169 -2.943 + 450TIP3 H2 7660 1.062 -3.021 -2.920 + 451TIP3 OH2 7661 0.480 -3.415 -3.906 + 451TIP3 H1 7662 0.413 -3.355 -3.944 + 451TIP3 H2 7663 0.553 -3.408 -3.968 + 452TIP3 OH2 7664 0.494 -3.591 -4.207 + 452TIP3 H1 7665 0.561 -3.562 -4.143 + 452TIP3 H2 7666 0.549 -3.652 -4.262 + 453TIP3 OH2 7667 1.226 -3.488 -3.077 + 453TIP3 H1 7668 1.153 -3.423 -3.068 + 453TIP3 H2 7669 1.273 -3.453 -3.155 + 454TIP3 OH2 7670 0.827 -3.415 -3.795 + 454TIP3 H1 7671 0.758 -3.394 -3.728 + 454TIP3 H2 7672 0.887 -3.472 -3.742 + 455TIP3 OH2 7673 0.812 -3.562 -2.910 + 455TIP3 H1 7674 0.816 -3.481 -2.857 + 455TIP3 H2 7675 0.746 -3.533 -2.976 + 456TIP3 OH2 7676 0.120 -3.001 -3.342 + 456TIP3 H1 7677 0.121 -3.036 -3.431 + 456TIP3 H2 7678 0.200 -3.043 -3.304 + 457TIP3 OH2 7679 0.028 -3.395 -3.314 + 457TIP3 H1 7680 0.081 -3.462 -3.361 + 457TIP3 H2 7681 0.078 -3.385 -3.230 + 458TIP3 OH2 7682 0.638 -2.904 -3.210 + 458TIP3 H1 7683 0.642 -2.838 -3.139 + 458TIP3 H2 7684 0.617 -2.987 -3.162 + 459TIP3 OH2 7685 0.130 -3.024 -2.783 + 459TIP3 H1 7686 0.080 -2.957 -2.733 + 459TIP3 H2 7687 0.065 -3.050 -2.852 + 460TIP3 OH2 7688 0.735 -3.467 -4.057 + 460TIP3 H1 7689 0.776 -3.443 -3.971 + 460TIP3 H2 7690 0.797 -3.425 -4.120 + 461TIP3 OH2 7691 -0.182 -3.378 -2.880 + 461TIP3 H1 7692 -0.172 -3.327 -2.797 + 461TIP3 H2 7693 -0.276 -3.400 -2.878 + 462TIP3 OH2 7694 0.461 -2.811 -3.692 + 462TIP3 H1 7695 0.517 -2.784 -3.618 + 462TIP3 H2 7696 0.421 -2.727 -3.719 + 463TIP3 OH2 7697 -0.060 -2.807 -2.702 + 463TIP3 H1 7698 -0.072 -2.802 -2.799 + 463TIP3 H2 7699 -0.148 -2.834 -2.670 + 464TIP3 OH2 7700 1.057 -4.338 -4.126 + 464TIP3 H1 7701 0.996 -4.330 -4.050 + 464TIP3 H2 7702 1.119 -4.267 -4.107 + 465TIP3 OH2 7703 -0.129 -3.432 -3.812 + 465TIP3 H1 7704 -0.135 -3.386 -3.897 + 465TIP3 H2 7705 -0.149 -3.524 -3.834 + 466TIP3 OH2 7706 1.183 -2.876 -4.253 + 466TIP3 H1 7707 1.207 -2.792 -4.210 + 466TIP3 H2 7708 1.260 -2.933 -4.235 + 467TIP3 OH2 7709 -0.510 -3.197 -2.994 + 467TIP3 H1 7710 -0.565 -3.196 -3.076 + 467TIP3 H2 7711 -0.504 -3.292 -2.974 + 468TIP3 OH2 7712 -0.510 -2.904 -3.298 + 468TIP3 H1 7713 -0.417 -2.929 -3.289 + 468TIP3 H2 7714 -0.519 -2.842 -3.224 + 469TIP3 OH2 7715 1.329 -2.842 -2.719 + 469TIP3 H1 7716 1.317 -2.937 -2.736 + 469TIP3 H2 7717 1.238 -2.817 -2.690 + 470TIP3 OH2 7718 0.393 -2.919 -2.840 + 470TIP3 H1 7719 0.402 -2.837 -2.787 + 470TIP3 H2 7720 0.304 -2.949 -2.815 + 471TIP3 OH2 7721 0.425 -2.540 -3.847 + 471TIP3 H1 7722 0.423 -2.527 -3.944 + 471TIP3 H2 7723 0.428 -2.449 -3.813 + 472TIP3 OH2 7724 -0.198 -2.628 -3.681 + 472TIP3 H1 7725 -0.181 -2.670 -3.594 + 472TIP3 H2 7726 -0.285 -2.663 -3.702 + 473TIP3 OH2 7727 0.730 -2.566 -4.102 + 473TIP3 H1 7728 0.780 -2.601 -4.177 + 473TIP3 H2 7729 0.748 -2.630 -4.030 + 474TIP3 OH2 7730 0.697 -2.673 -3.849 + 474TIP3 H1 7731 0.607 -2.642 -3.832 + 474TIP3 H2 7732 0.714 -2.727 -3.770 + 475TIP3 OH2 7733 1.009 -3.708 -2.680 + 475TIP3 H1 7734 0.956 -3.669 -2.751 + 475TIP3 H2 7735 1.015 -3.801 -2.709 + 476TIP3 OH2 7736 -0.296 -3.040 -2.865 + 476TIP3 H1 7737 -0.269 -3.088 -2.784 + 476TIP3 H2 7738 -0.368 -3.097 -2.900 + 477TIP3 OH2 7739 0.022 -4.216 -3.277 + 477TIP3 H1 7740 -0.061 -4.244 -3.319 + 477TIP3 H2 7741 -0.007 -4.137 -3.229 + 478TIP3 OH2 7742 0.483 -4.260 -2.915 + 478TIP3 H1 7743 0.498 -4.309 -2.833 + 478TIP3 H2 7744 0.389 -4.277 -2.929 + 479TIP3 OH2 7745 0.779 -3.863 -2.873 + 479TIP3 H1 7746 0.719 -3.875 -2.797 + 479TIP3 H2 7747 0.772 -3.768 -2.892 + 480TIP3 OH2 7748 0.957 -3.386 -4.253 + 480TIP3 H1 7749 0.912 -3.403 -4.337 + 480TIP3 H2 7750 0.987 -3.295 -4.270 + 481TIP3 OH2 7751 0.442 -3.997 -4.213 + 481TIP3 H1 7752 0.387 -3.995 -4.132 + 481TIP3 H2 7753 0.394 -4.065 -4.262 + 482TIP3 OH2 7754 0.005 -3.718 -3.146 + 482TIP3 H1 7755 -0.060 -3.703 -3.076 + 482TIP3 H2 7756 0.003 -3.636 -3.197 + 483TIP3 OH2 7757 0.570 -3.654 -3.785 + 483TIP3 H1 7758 0.528 -3.572 -3.818 + 483TIP3 H2 7759 0.632 -3.674 -3.856 + 484TIP3 OH2 7760 0.483 -3.632 -2.649 + 484TIP3 H1 7761 0.433 -3.707 -2.611 + 484TIP3 H2 7762 0.570 -3.643 -2.606 + 485TIP3 OH2 7763 0.651 -3.711 -3.504 + 485TIP3 H1 7764 0.621 -3.654 -3.578 + 485TIP3 H2 7765 0.669 -3.793 -3.554 + 486TIP3 OH2 7766 -0.259 -3.691 -2.972 + 486TIP3 H1 7767 -0.221 -3.667 -2.887 + 486TIP3 H2 7768 -0.296 -3.779 -2.951 + 487TIP3 OH2 7769 0.117 -3.958 -4.312 + 487TIP3 H1 7770 0.089 -3.984 -4.223 + 487TIP3 H2 7771 0.040 -3.908 -4.344 + 488TIP3 OH2 7772 -0.566 -3.950 -3.601 + 488TIP3 H1 7773 -0.512 -3.962 -3.521 + 488TIP3 H2 7774 -0.517 -3.997 -3.670 + 489TIP3 OH2 7775 -0.424 -3.917 -4.047 + 489TIP3 H1 7776 -0.354 -3.868 -4.093 + 489TIP3 H2 7777 -0.481 -3.845 -4.014 + 490TIP3 OH2 7778 0.560 -3.543 -3.057 + 490TIP3 H1 7779 0.603 -3.615 -3.110 + 490TIP3 H2 7780 0.527 -3.592 -2.981 + 491TIP3 OH2 7781 0.255 -3.967 -3.564 + 491TIP3 H1 7782 0.169 -3.925 -3.546 + 491TIP3 H2 7783 0.293 -3.975 -3.476 + 492TIP3 OH2 7784 -0.241 -3.799 -3.736 + 492TIP3 H1 7785 -0.336 -3.808 -3.724 + 492TIP3 H2 7786 -0.204 -3.889 -3.728 + 493TIP3 OH2 7787 0.087 -3.802 -3.933 + 493TIP3 H1 7788 0.168 -3.781 -3.884 + 493TIP3 H2 7789 0.067 -3.722 -3.982 + 494TIP3 OH2 7790 0.715 -4.031 -3.254 + 494TIP3 H1 7791 0.650 -4.035 -3.182 + 494TIP3 H2 7792 0.662 -4.065 -3.327 + 495TIP3 OH2 7793 -0.050 -3.663 -4.166 + 495TIP3 H1 7794 -0.099 -3.731 -4.215 + 495TIP3 H2 7795 0.035 -3.660 -4.212 + 496TIP3 OH2 7796 1.018 -2.454 -2.589 + 496TIP3 H1 7797 1.043 -2.409 -2.672 + 496TIP3 H2 7798 1.091 -2.426 -2.530 + 497TIP3 OH2 7799 -0.189 -3.194 -2.648 + 497TIP3 H1 7800 -0.121 -3.187 -2.577 + 497TIP3 H2 7801 -0.269 -3.196 -2.592 + 498TIP3 OH2 7802 0.388 -3.677 -3.374 + 498TIP3 H1 7803 0.445 -3.728 -3.431 + 498TIP3 H2 7804 0.354 -3.743 -3.311 + 499TIP3 OH2 7805 -0.100 -4.056 -3.730 + 499TIP3 H1 7806 -0.139 -4.144 -3.730 + 499TIP3 H2 7807 -0.018 -4.068 -3.779 + 500TIP3 OH2 7808 0.279 -3.845 -3.156 + 500TIP3 H1 7809 0.202 -3.785 -3.152 + 500TIP3 H2 7810 0.329 -3.820 -3.076 + 501TIP3 OH2 7811 0.289 -3.209 -3.957 + 501TIP3 H1 7812 0.215 -3.261 -3.992 + 501TIP3 H2 7813 0.273 -3.212 -3.860 + 502TIP3 OH2 7814 1.016 -3.293 -3.087 + 502TIP3 H1 7815 1.065 -3.239 -3.152 + 502TIP3 H2 7816 0.930 -3.305 -3.132 + 503TIP3 OH2 7817 0.711 -3.928 -4.193 + 503TIP3 H1 7818 0.614 -3.938 -4.186 + 503TIP3 H2 7819 0.733 -3.859 -4.127 + 504TIP3 OH2 7820 0.454 -3.210 -2.830 + 504TIP3 H1 7821 0.431 -3.241 -2.741 + 504TIP3 H2 7822 0.428 -3.116 -2.827 + 505TIP3 OH2 7823 0.771 -3.750 -3.990 + 505TIP3 H1 7824 0.855 -3.766 -3.944 + 505TIP3 H2 7825 0.785 -3.661 -4.029 + 506TIP3 OH2 7826 0.538 -3.076 -4.070 + 506TIP3 H1 7827 0.510 -2.987 -4.038 + 506TIP3 H2 7828 0.462 -3.129 -4.041 + 507TIP3 OH2 7829 -0.469 -3.443 -2.850 + 507TIP3 H1 7830 -0.451 -3.487 -2.765 + 507TIP3 H2 7831 -0.525 -3.507 -2.896 + 508TIP3 OH2 7832 0.230 -3.493 -2.657 + 508TIP3 H1 7833 0.202 -3.516 -2.747 + 508TIP3 H2 7834 0.323 -3.521 -2.659 + 509TIP3 OH2 7835 0.684 -2.951 -2.882 + 509TIP3 H1 7836 0.587 -2.941 -2.887 + 509TIP3 H2 7837 0.701 -2.924 -2.790 + 510TIP3 OH2 7838 1.243 -3.738 -4.002 + 510TIP3 H1 7839 1.177 -3.756 -4.072 + 510TIP3 H2 7840 1.254 -3.643 -4.017 + 511TIP3 OH2 7841 1.282 -3.141 -2.724 + 511TIP3 H1 7842 1.188 -3.119 -2.742 + 511TIP3 H2 7843 1.315 -3.158 -2.814 + 512TIP3 OH2 7844 1.068 -2.881 -3.990 + 512TIP3 H1 7845 1.036 -2.957 -3.940 + 512TIP3 H2 7846 1.094 -2.921 -4.075 + 513TIP3 OH2 7847 0.781 -3.350 -3.257 + 513TIP3 H1 7848 0.688 -3.366 -3.281 + 513TIP3 H2 7849 0.825 -3.423 -3.305 + 514TIP3 OH2 7850 0.042 -2.947 -3.654 + 514TIP3 H1 7851 0.092 -2.864 -3.663 + 514TIP3 H2 7852 -0.047 -2.917 -3.677 + 515TIP3 OH2 7853 -0.363 -3.407 -4.243 + 515TIP3 H1 7854 -0.304 -3.379 -4.170 + 515TIP3 H2 7855 -0.448 -3.413 -4.195 + 516TIP3 OH2 7856 0.208 -3.190 -3.686 + 516TIP3 H1 7857 0.179 -3.098 -3.673 + 516TIP3 H2 7858 0.135 -3.240 -3.647 + 517TIP3 OH2 7859 0.245 -2.747 -3.056 + 517TIP3 H1 7860 0.301 -2.672 -3.082 + 517TIP3 H2 7861 0.306 -2.797 -2.999 + 518TIP3 OH2 7862 0.089 -2.652 -3.734 + 518TIP3 H1 7863 -0.006 -2.636 -3.724 + 518TIP3 H2 7864 0.126 -2.566 -3.708 + 519TIP3 OH2 7865 0.586 -3.172 -3.099 + 519TIP3 H1 7866 0.558 -3.200 -3.010 + 519TIP3 H2 7867 0.659 -3.233 -3.116 + 520TIP3 OH2 7868 0.796 -3.029 -4.200 + 520TIP3 H1 7869 0.852 -3.072 -4.133 + 520TIP3 H2 7870 0.709 -3.048 -4.160 + 521TIP3 OH2 7871 0.880 -2.715 -2.859 + 521TIP3 H1 7872 0.804 -2.759 -2.902 + 521TIP3 H2 7873 0.892 -2.635 -2.913 + 522TIP3 OH2 7874 1.293 -2.598 -4.160 + 522TIP3 H1 7875 1.360 -2.528 -4.145 + 522TIP3 H2 7876 1.210 -2.550 -4.140 + 523TIP3 OH2 7877 -0.332 -3.960 -2.896 + 523TIP3 H1 7878 -0.425 -3.943 -2.924 + 523TIP3 H2 7879 -0.346 -4.046 -2.850 + 524TIP3 OH2 7880 0.899 -3.182 -3.969 + 524TIP3 H1 7881 0.873 -3.253 -3.907 + 524TIP3 H2 7882 0.997 -3.185 -3.961 + 525TIP3 OH2 7883 -0.356 -2.805 -3.051 + 525TIP3 H1 7884 -0.329 -2.895 -3.026 + 525TIP3 H2 7885 -0.338 -2.758 -2.968 + 526TIP3 OH2 7886 0.247 -2.939 -4.337 + 526TIP3 H1 7887 0.289 -3.023 -4.364 + 526TIP3 H2 7888 0.200 -2.967 -4.256 + 527TIP3 OH2 7889 0.104 -2.988 -4.075 + 527TIP3 H1 7890 0.160 -3.039 -4.015 + 527TIP3 H2 7891 0.125 -2.896 -4.049 + 528TIP3 OH2 7892 -0.209 -3.251 -4.043 + 528TIP3 H1 7893 -0.282 -3.215 -3.990 + 528TIP3 H2 7894 -0.159 -3.170 -4.064 + 529TIP3 OH2 7895 0.551 -4.004 -3.022 + 529TIP3 H1 7896 0.619 -3.982 -2.957 + 529TIP3 H2 7897 0.519 -4.091 -2.992 + 530TIP3 OH2 7898 0.640 -4.050 -3.923 + 530TIP3 H1 7899 0.656 -3.985 -3.993 + 530TIP3 H2 7900 0.670 -4.002 -3.844 + 531TIP3 OH2 7901 0.399 -2.827 -4.030 + 531TIP3 H1 7902 0.325 -2.772 -4.000 + 531TIP3 H2 7903 0.456 -2.761 -4.071 + 532TIP3 OH2 7904 0.364 -3.855 -3.805 + 532TIP3 H1 7905 0.438 -3.793 -3.788 + 532TIP3 H2 7906 0.327 -3.868 -3.716 + 533TIP3 OH2 7907 0.400 -3.759 -2.899 + 533TIP3 H1 7908 0.413 -3.711 -2.815 + 533TIP3 H2 7909 0.455 -3.837 -2.887 + 534TIP3 OH2 7910 0.440 -4.166 -3.714 + 534TIP3 H1 7911 0.409 -4.090 -3.662 + 534TIP3 H2 7912 0.496 -4.124 -3.782 + 535TIP3 OH2 7913 0.117 -2.706 -4.026 + 535TIP3 H1 7914 0.127 -2.621 -4.074 + 535TIP3 H2 7915 0.109 -2.677 -3.933 + 536TIP3 OH2 7916 -0.011 -4.035 -4.057 + 536TIP3 H1 7917 -0.008 -3.953 -4.003 + 536TIP3 H2 7918 0.075 -4.074 -4.030 + 537TIP3 OH2 7919 1.041 -3.963 -2.819 + 537TIP3 H1 7920 0.944 -3.952 -2.826 + 537TIP3 H2 7921 1.059 -3.990 -2.910 + 538TIP3 OH2 7922 0.882 -3.574 -3.410 + 538TIP3 H1 7923 0.798 -3.619 -3.434 + 538TIP3 H2 7924 0.930 -3.646 -3.362 + 539TIP3 OH2 7925 -0.166 -2.955 -4.178 + 539TIP3 H1 7926 -0.097 -2.915 -4.123 + 539TIP3 H2 7927 -0.112 -3.020 -4.227 + 540TIP3 OH2 7928 -0.336 -3.733 -4.271 + 540TIP3 H1 7929 -0.327 -3.644 -4.232 + 540TIP3 H2 7930 -0.431 -3.744 -4.282 + 541TIP3 OH2 7931 0.984 -2.690 -3.272 + 541TIP3 H1 7932 0.967 -2.606 -3.319 + 541TIP3 H2 7933 1.076 -2.677 -3.244 + 542TIP3 OH2 7934 -0.338 -4.243 -3.357 + 542TIP3 H1 7935 -0.294 -4.242 -3.443 + 542TIP3 H2 7936 -0.314 -4.333 -3.328 + 543TIP3 OH2 7937 -0.368 -2.888 -3.746 + 543TIP3 H1 7938 -0.446 -2.836 -3.724 + 543TIP3 H2 7939 -0.328 -2.835 -3.816 + 544TIP3 OH2 7940 -0.425 -2.599 -2.629 + 544TIP3 H1 7941 -0.368 -2.626 -2.555 + 544TIP3 H2 7942 -0.464 -2.684 -2.656 + 545TIP3 OH2 7943 0.036 -2.695 -2.449 + 545TIP3 H1 7944 0.112 -2.752 -2.428 + 545TIP3 H2 7945 0.021 -2.719 -2.542 + 546TIP3 OH2 7946 0.468 -2.757 -4.330 + 546TIP3 H1 7947 0.387 -2.811 -4.326 + 546TIP3 H2 7948 0.532 -2.826 -4.356 + 547TIP3 OH2 7949 0.691 -2.865 -2.592 + 547TIP3 H1 7950 0.654 -2.947 -2.554 + 547TIP3 H2 7951 0.761 -2.842 -2.528 + 548TIP3 OH2 7952 0.867 -2.822 4.283 + 548TIP3 H1 7953 0.856 -2.868 4.368 + 548TIP3 H2 7954 0.958 -2.791 4.285 + 549TIP3 OH2 7955 -0.429 -3.236 -2.515 + 549TIP3 H1 7956 -0.420 -3.326 -2.549 + 549TIP3 H2 7957 -0.506 -3.205 -2.566 + 550TIP3 OH2 7958 -0.047 -3.187 -4.311 + 550TIP3 H1 7959 -0.001 -3.244 -4.247 + 550TIP3 H2 7960 0.022 -3.175 -4.380 + 551TIP3 OH2 7961 0.228 -3.217 -2.581 + 551TIP3 H1 7962 0.204 -3.184 -2.669 + 551TIP3 H2 7963 0.240 -3.312 -2.596 + 552TIP3 OH2 7964 0.527 -3.075 -4.347 + 552TIP3 H1 7965 0.542 -3.065 -4.251 + 552TIP3 H2 7966 0.590 -3.145 -4.371 + 553TIP3 OH2 7967 0.769 -3.253 -2.844 + 553TIP3 H1 7968 0.849 -3.201 -2.862 + 553TIP3 H2 7969 0.701 -3.184 -2.846 + 554TIP3 OH2 7970 -0.343 -3.521 -2.601 + 554TIP3 H1 7971 -0.269 -3.585 -2.601 + 554TIP3 H2 7972 -0.350 -3.503 -2.506 + 555TIP3 OH2 7973 0.098 -3.386 -4.084 + 555TIP3 H1 7974 0.047 -3.439 -4.022 + 555TIP3 H2 7975 0.133 -3.454 -4.144 + 556TIP3 OH2 7976 0.017 -3.611 -2.861 + 556TIP3 H1 7977 -0.027 -3.529 -2.833 + 556TIP3 H2 7978 0.088 -3.577 -2.919 + 557TIP3 OH2 7979 0.215 -3.566 -4.281 + 557TIP3 H1 7980 0.225 -3.597 -4.373 + 557TIP3 H2 7981 0.309 -3.572 -4.252 + 558TIP3 OH2 7982 0.551 -3.338 -2.502 + 558TIP3 H1 7983 0.642 -3.356 -2.530 + 558TIP3 H2 7984 0.527 -3.421 -2.458 + 559TIP3 OH2 7985 0.079 -3.880 -2.745 + 559TIP3 H1 7986 0.089 -3.946 -2.816 + 559TIP3 H2 7987 0.061 -3.799 -2.796 + 560TIP3 OH2 7988 0.119 -4.036 -3.003 + 560TIP3 H1 7989 0.172 -3.983 -3.065 + 560TIP3 H2 7990 0.028 -4.025 -3.039 + 561TIP3 OH2 7991 0.265 -3.489 -2.956 + 561TIP3 H1 7992 0.351 -3.499 -3.001 + 561TIP3 H2 7993 0.239 -3.400 -2.986 + 562TIP3 OH2 7994 0.726 -3.694 -2.480 + 562TIP3 H1 7995 0.747 -3.787 -2.461 + 562TIP3 H2 7996 0.815 -3.655 -2.481 + 563TIP3 OH2 7997 0.824 -3.415 -2.630 + 563TIP3 H1 7998 0.790 -3.354 -2.698 + 563TIP3 H2 7999 0.914 -3.431 -2.666 + 564TIP3 OH2 8000 -0.099 -3.695 -2.564 + 564TIP3 H1 8001 -0.150 -3.778 -2.562 + 564TIP3 H2 8002 -0.017 -3.724 -2.607 + 565TIP3 OH2 8003 0.173 -4.276 -2.872 + 565TIP3 H1 8004 0.175 -4.188 -2.914 + 565TIP3 H2 8005 0.096 -4.315 -2.917 + 566TIP3 OH2 8006 0.314 -3.843 -2.585 + 566TIP3 H1 8007 0.284 -3.871 -2.497 + 566TIP3 H2 8008 0.234 -3.864 -2.637 + 567TIP3 OH2 8009 0.575 -3.944 -2.686 + 567TIP3 H1 8010 0.485 -3.931 -2.650 + 567TIP3 H2 8011 0.611 -4.010 -2.624 + 568TIP3 OH2 8012 0.747 -4.136 -2.517 + 568TIP3 H1 8013 0.729 -4.223 -2.479 + 568TIP3 H2 8014 0.731 -4.076 -2.442 + 569TIP3 OH2 8015 -0.220 -3.958 -2.575 + 569TIP3 H1 8016 -0.244 -4.020 -2.646 + 569TIP3 H2 8017 -0.263 -3.999 -2.498 + 570TIP3 OH2 8018 0.276 -4.146 -2.476 + 570TIP3 H1 8019 0.255 -4.229 -2.522 + 570TIP3 H2 8020 0.190 -4.100 -2.471 + 571TIP3 OH2 8021 0.177 -2.463 -4.174 + 571TIP3 H1 8022 0.273 -2.448 -4.161 + 571TIP3 H2 8023 0.154 -2.397 -4.241 + 572TIP3 OH2 8024 -0.434 -3.062 -4.185 + 572TIP3 H1 8025 -0.351 -3.013 -4.198 + 572TIP3 H2 8026 -0.467 -3.079 -4.275 + 573TIP3 OH2 8027 -0.534 -2.503 -3.721 + 573TIP3 H1 8028 -0.607 -2.537 -3.776 + 573TIP3 H2 8029 -0.530 -2.569 -3.650 + 574TIP3 OH2 8030 -0.497 -2.699 -3.520 + 574TIP3 H1 8031 -0.529 -2.785 -3.488 + 574TIP3 H2 8032 -0.464 -2.663 -3.437 + 575TIP3 OH2 8033 1.257 -2.578 -3.221 + 575TIP3 H1 8034 1.267 -2.569 -3.125 + 575TIP3 H2 8035 1.340 -2.539 -3.251 + 576TIP3 OH2 8036 1.243 -2.627 -2.931 + 576TIP3 H1 8037 1.194 -2.703 -2.967 + 576TIP3 H2 8038 1.301 -2.671 -2.867 + 577TIP3 OH2 8039 1.045 -3.085 -2.503 + 577TIP3 H1 8040 0.957 -3.077 -2.463 + 577TIP3 H2 8041 1.090 -3.005 -2.471 + 578TIP3 OH2 8042 1.185 -3.202 -3.930 + 578TIP3 H1 8043 1.275 -3.166 -3.916 + 578TIP3 H2 8044 1.180 -3.265 -3.856 + 579TIP3 OH2 8045 1.231 -3.402 -3.732 + 579TIP3 H1 8046 1.163 -3.456 -3.687 + 579TIP3 H2 8047 1.298 -3.388 -3.663 + 580TIP3 OH2 8048 1.203 -3.149 -3.234 + 580TIP3 H1 8049 1.266 -3.197 -3.289 + 580TIP3 H2 8050 1.217 -3.057 -3.264 + 581TIP3 OH2 8051 1.075 -2.858 -3.010 + 581TIP3 H1 8052 1.003 -2.817 -2.959 + 581TIP3 H2 8053 1.028 -2.894 -3.087 + 582TIP3 OH2 8054 1.258 -3.434 -4.109 + 582TIP3 H1 8055 1.196 -3.403 -4.176 + 582TIP3 H2 8056 1.241 -3.368 -4.039 + 583TIP3 OH2 8057 1.077 -3.696 -4.219 + 583TIP3 H1 8058 1.110 -3.621 -4.270 + 583TIP3 H2 8059 1.123 -3.770 -4.261 + 584TIP3 OH2 8060 1.025 -3.585 -3.650 + 584TIP3 H1 8061 1.016 -3.680 -3.667 + 584TIP3 H2 8062 0.986 -3.576 -3.560 + 585TIP3 OH2 8063 -0.471 -3.363 -3.322 + 585TIP3 H1 8064 -0.456 -3.426 -3.393 + 585TIP3 H2 8065 -0.401 -3.388 -3.259 + 586TIP3 OH2 8066 1.085 -3.393 -2.736 + 586TIP3 H1 8067 1.159 -3.455 -2.718 + 586TIP3 H2 8068 1.132 -3.310 -2.754 + 587TIP3 OH2 8069 1.241 -3.583 -2.616 + 587TIP3 H1 8070 1.161 -3.636 -2.638 + 587TIP3 H2 8071 1.310 -3.652 -2.616 + 588TIP3 OH2 8072 1.005 -4.028 -4.340 + 588TIP3 H1 8073 1.062 -4.043 -4.264 + 588TIP3 H2 8074 0.915 -4.045 -4.307 + 589TIP3 OH2 8075 1.002 -3.826 -3.837 + 589TIP3 H1 8076 1.021 -3.922 -3.828 + 589TIP3 H2 8077 1.087 -3.794 -3.871 + 590TIP3 OH2 8078 1.034 -3.773 -3.292 + 590TIP3 H1 8079 1.132 -3.768 -3.292 + 590TIP3 H2 8080 1.018 -3.777 -3.196 + 591TIP3 OH2 8081 1.049 -3.707 -3.006 + 591TIP3 H1 8082 0.964 -3.665 -2.980 + 591TIP3 H2 8083 1.103 -3.628 -3.028 + 592TIP3 OH2 8084 -0.505 -3.835 -2.626 + 592TIP3 H1 8085 -0.413 -3.859 -2.644 + 592TIP3 H2 8086 -0.549 -3.921 -2.630 + 593TIP3 OH2 8087 1.262 -4.281 -2.430 + 593TIP3 H1 8088 1.316 -4.357 -2.454 + 593TIP3 H2 8089 1.265 -4.220 -2.507 + 594TIP3 OH2 8090 1.037 -4.097 -3.824 + 594TIP3 H1 8091 1.056 -4.148 -3.744 + 594TIP3 H2 8092 0.976 -4.158 -3.869 + 595TIP3 OH2 8093 -0.427 -3.989 -3.357 + 595TIP3 H1 8094 -0.400 -4.083 -3.347 + 595TIP3 H2 8095 -0.343 -3.945 -3.333 + 596TIP3 OH2 8096 -0.567 -3.726 -3.259 + 596TIP3 H1 8097 -0.508 -3.737 -3.335 + 596TIP3 H2 8098 -0.527 -3.653 -3.211 + 597TIP3 OH2 8099 1.244 -4.113 -2.644 + 597TIP3 H1 8100 1.159 -4.065 -2.635 + 597TIP3 H2 8101 1.233 -4.147 -2.735 + 598TIP3 OH2 8102 1.257 -4.072 -4.174 + 598TIP3 H1 8103 1.281 -4.147 -4.230 + 598TIP3 H2 8104 1.338 -4.020 -4.171 + 599TIP3 OH2 8105 -0.516 -4.097 -3.850 + 599TIP3 H1 8106 -0.610 -4.095 -3.873 + 599TIP3 H2 8107 -0.476 -4.034 -3.912 + 600TIP3 OH2 8108 0.942 -2.571 -3.642 + 600TIP3 H1 8109 0.993 -2.597 -3.720 + 600TIP3 H2 8110 1.010 -2.531 -3.586 + 601TIP3 OH2 8111 -0.541 -4.125 -3.000 + 601TIP3 H1 8112 -0.540 -4.218 -2.971 + 601TIP3 H2 8113 -0.554 -4.137 -3.095 + 602TIP3 OH2 8114 -0.316 -2.901 -2.565 + 602TIP3 H1 8115 -0.387 -2.899 -2.631 + 602TIP3 H2 8116 -0.364 -2.895 -2.482 + 603TIP3 OH2 8117 -0.031 -2.800 -3.001 + 603TIP3 H1 8118 -0.062 -2.714 -3.034 + 603TIP3 H2 8119 0.065 -2.789 -3.017 + 604TIP3 OH2 8120 0.419 -2.668 -2.698 + 604TIP3 H1 8121 0.435 -2.685 -2.604 + 604TIP3 H2 8122 0.502 -2.623 -2.724 + 605TIP3 OH2 8123 0.647 -2.523 -2.775 + 605TIP3 H1 8124 0.717 -2.586 -2.797 + 605TIP3 H2 8125 0.678 -2.490 -2.688 + 606TIP3 OH2 8126 1.108 -4.276 -2.854 + 606TIP3 H1 8127 1.056 -4.215 -2.909 + 606TIP3 H2 8128 1.126 -4.345 -2.920 + 607TIP3 OH2 8129 -0.296 -2.505 -2.966 + 607TIP3 H1 8130 -0.354 -2.440 -3.010 + 607TIP3 H2 8131 -0.327 -2.497 -2.875 + 608TIP3 OH2 8132 -0.046 -2.526 -3.112 + 608TIP3 H1 8133 -0.130 -2.505 -3.068 + 608TIP3 H2 8134 -0.040 -2.456 -3.180 + 609TIP3 OH2 8135 0.428 -2.526 -3.155 + 609TIP3 H1 8136 0.394 -2.479 -3.233 + 609TIP3 H2 8137 0.439 -2.452 -3.092 + 610TIP3 OH2 8138 0.664 -2.654 -3.064 + 610TIP3 H1 8139 0.580 -2.617 -3.096 + 610TIP3 H2 8140 0.721 -2.576 -3.064 + 611TIP3 OH2 8141 0.915 -2.482 -3.043 + 611TIP3 H1 8142 0.914 -2.386 -3.062 + 611TIP3 H2 8143 0.946 -2.516 -3.129 + 612TIP3 OH2 8144 -0.337 -2.624 -3.273 + 612TIP3 H1 8145 -0.338 -2.671 -3.186 + 612TIP3 H2 8146 -0.259 -2.666 -3.315 + 613TIP3 OH2 8147 -0.135 -2.752 -3.425 + 613TIP3 H1 8148 -0.147 -2.847 -3.401 + 613TIP3 H2 8149 -0.043 -2.735 -3.394 + 614TIP3 OH2 8150 0.139 -2.702 -3.339 + 614TIP3 H1 8151 0.162 -2.794 -3.361 + 614TIP3 H2 8152 0.149 -2.703 -3.243 + 615TIP3 OH2 8153 0.476 -4.115 -3.412 + 615TIP3 H1 8154 0.416 -4.183 -3.378 + 615TIP3 H2 8155 0.530 -4.166 -3.474 + 616TIP3 OH2 8156 0.994 -4.326 -3.360 + 616TIP3 H1 8157 1.054 -4.291 -3.428 + 616TIP3 H2 8158 0.907 -4.317 -3.402 + 617TIP3 OH2 8159 1.205 -4.228 -3.579 + 617TIP3 H1 8160 1.246 -4.245 -3.665 + 617TIP3 H2 8161 1.211 -4.132 -3.570 + 618TIP3 OH2 8162 -0.296 -4.281 -3.683 + 618TIP3 H1 8163 -0.386 -4.312 -3.699 + 618TIP3 H2 8164 -0.253 -4.359 -3.647 + 619TIP3 OH2 8165 -0.434 -4.282 -4.067 + 619TIP3 H1 8166 -0.382 -4.232 -4.133 + 619TIP3 H2 8167 -0.467 -4.211 -4.010 + 620TIP3 OH2 8168 0.171 -4.275 -3.674 + 620TIP3 H1 8169 0.259 -4.234 -3.672 + 620TIP3 H2 8170 0.150 -4.285 -3.581 + 621TIP3 OH2 8171 0.730 -4.272 -3.517 + 621TIP3 H1 8172 0.722 -4.270 -3.613 + 621TIP3 H2 8173 0.686 -4.359 -3.498 + 622TIP3 OH2 8174 0.826 -4.274 -3.932 + 622TIP3 H1 8175 0.748 -4.216 -3.946 + 622TIP3 H2 8176 0.785 -4.356 -3.900 + 623TIP3 OH2 8177 -0.401 -2.697 -3.966 + 623TIP3 H1 8178 -0.475 -2.697 -4.030 + 623TIP3 H2 8179 -0.402 -2.604 -3.940 + 624TIP3 OH2 8180 -0.238 -4.120 -4.222 + 624TIP3 H1 8181 -0.175 -4.163 -4.281 + 624TIP3 H2 8182 -0.178 -4.063 -4.170 + 625TIP3 OH2 8183 0.275 -4.058 -3.984 + 625TIP3 H1 8184 0.294 -4.144 -3.942 + 625TIP3 H2 8185 0.300 -3.994 -3.914 + 626TIP3 OH2 8186 0.460 -2.530 -4.146 + 626TIP3 H1 8187 0.557 -2.515 -4.137 + 626TIP3 H2 8188 0.460 -2.591 -4.222 + 627TIP3 OH2 8189 1.138 -2.613 -3.884 + 627TIP3 H1 8190 1.108 -2.696 -3.927 + 627TIP3 H2 8191 1.115 -2.546 -3.951 + 628TIP3 OH2 8192 -0.330 -4.177 -2.732 + 628TIP3 H1 8193 -0.376 -4.256 -2.700 + 628TIP3 H2 8194 -0.242 -4.216 -2.745 + 629TIP3 OH2 8195 -0.038 -4.278 -2.467 + 629TIP3 H1 8196 0.049 -4.304 -2.506 + 629TIP3 H2 8197 -0.063 -4.358 -2.420 + 630TIP3 OH2 8198 -0.207 -2.589 -4.231 + 630TIP3 H1 8199 -0.245 -2.561 -4.147 + 630TIP3 H2 8200 -0.136 -2.648 -4.205 + 631TIP3 OH2 8201 1.077 -2.734 -2.641 + 631TIP3 H1 8202 1.003 -2.752 -2.701 + 631TIP3 H2 8203 1.061 -2.640 -2.621 + 632TIP3 OH2 8204 2.497 -3.368 -3.628 + 632TIP3 H1 8205 2.497 -3.272 -3.614 + 632TIP3 H2 8206 2.418 -3.379 -3.683 + 633TIP3 OH2 8207 2.382 -3.422 -3.321 + 633TIP3 H1 8208 2.381 -3.477 -3.240 + 633TIP3 H2 8209 2.353 -3.486 -3.388 + 634TIP3 OH2 8210 1.631 -3.464 -3.154 + 634TIP3 H1 8211 1.628 -3.539 -3.091 + 634TIP3 H2 8212 1.699 -3.409 -3.113 + 635TIP3 OH2 8213 2.748 -3.149 -3.488 + 635TIP3 H1 8214 2.713 -3.219 -3.432 + 635TIP3 H2 8215 2.782 -3.087 -3.422 + 636TIP3 OH2 8216 1.696 -2.998 -3.306 + 636TIP3 H1 8217 1.671 -3.091 -3.329 + 636TIP3 H2 8218 1.788 -3.013 -3.279 + 637TIP3 OH2 8219 1.397 -3.659 -3.765 + 637TIP3 H1 8220 1.354 -3.573 -3.751 + 637TIP3 H2 8221 1.324 -3.711 -3.802 + 638TIP3 OH2 8222 1.476 -3.414 -3.579 + 638TIP3 H1 8223 1.490 -3.497 -3.529 + 638TIP3 H2 8224 1.560 -3.405 -3.625 + 639TIP3 OH2 8225 2.456 -2.612 -3.432 + 639TIP3 H1 8226 2.514 -2.684 -3.464 + 639TIP3 H2 8227 2.428 -2.646 -3.346 + 640TIP3 OH2 8228 2.231 -3.171 -3.265 + 640TIP3 H1 8229 2.264 -3.244 -3.320 + 640TIP3 H2 8230 2.311 -3.155 -3.212 + 641TIP3 OH2 8231 3.086 -4.017 -3.207 + 641TIP3 H1 8232 3.119 -3.972 -3.128 + 641TIP3 H2 8233 3.151 -3.987 -3.273 + 642TIP3 OH2 8234 2.559 -3.740 -3.211 + 642TIP3 H1 8235 2.579 -3.836 -3.210 + 642TIP3 H2 8236 2.550 -3.724 -3.307 + 643TIP3 OH2 8237 1.856 -3.941 -3.503 + 643TIP3 H1 8238 1.871 -3.856 -3.548 + 643TIP3 H2 8239 1.821 -3.994 -3.577 + 644TIP3 OH2 8240 2.644 -3.924 -3.672 + 644TIP3 H1 8241 2.703 -3.967 -3.607 + 644TIP3 H2 8242 2.708 -3.878 -3.728 + 645TIP3 OH2 8243 1.528 -3.661 -3.455 + 645TIP3 H1 8244 1.586 -3.711 -3.396 + 645TIP3 H2 8245 1.533 -3.713 -3.537 + 646TIP3 OH2 8246 2.066 -3.525 -3.510 + 646TIP3 H1 8247 2.135 -3.580 -3.469 + 646TIP3 H2 8248 2.014 -3.592 -3.558 + 647TIP3 OH2 8249 3.180 -3.848 -2.941 + 647TIP3 H1 8250 3.105 -3.796 -2.976 + 647TIP3 H2 8251 3.141 -3.889 -2.864 + 648TIP3 OH2 8252 1.737 -4.056 -3.087 + 648TIP3 H1 8253 1.702 -4.001 -3.159 + 648TIP3 H2 8254 1.670 -4.037 -3.018 + 649TIP3 OH2 8255 2.486 -3.083 -3.750 + 649TIP3 H1 8256 2.452 -3.104 -3.838 + 649TIP3 H2 8257 2.443 -2.998 -3.731 + 650TIP3 OH2 8258 2.031 -3.270 -3.077 + 650TIP3 H1 8259 1.957 -3.211 -3.050 + 650TIP3 H2 8260 2.092 -3.207 -3.119 + 651TIP3 OH2 8261 2.833 -4.013 -3.467 + 651TIP3 H1 8262 2.785 -4.060 -3.398 + 651TIP3 H2 8263 2.885 -3.950 -3.415 + 652TIP3 OH2 8264 1.698 -3.855 -3.293 + 652TIP3 H1 8265 1.760 -3.795 -3.249 + 652TIP3 H2 8266 1.755 -3.890 -3.365 + 653TIP3 OH2 8267 1.829 -3.083 -3.006 + 653TIP3 H1 8268 1.826 -2.990 -3.033 + 653TIP3 H2 8269 1.743 -3.089 -2.960 + 654TIP3 OH2 8270 1.462 -3.112 -3.919 + 654TIP3 H1 8271 1.440 -3.069 -4.003 + 654TIP3 H2 8272 1.476 -3.038 -3.857 + 655TIP3 OH2 8273 2.805 -2.967 -3.239 + 655TIP3 H1 8274 2.709 -2.953 -3.237 + 655TIP3 H2 8275 2.836 -2.882 -3.275 + 656TIP3 OH2 8276 2.849 -4.110 -3.066 + 656TIP3 H1 8277 2.768 -4.078 -3.109 + 656TIP3 H2 8278 2.915 -4.097 -3.136 + 657TIP3 OH2 8279 2.159 4.381 -3.365 + 657TIP3 H1 8280 2.154 4.286 -3.353 + 657TIP3 H2 8281 2.072 4.413 -3.332 + 658TIP3 OH2 8282 2.636 -2.772 -3.584 + 658TIP3 H1 8283 2.684 -2.852 -3.614 + 658TIP3 H2 8284 2.706 -2.705 -3.592 + 659TIP3 OH2 8285 2.779 -2.985 -3.719 + 659TIP3 H1 8286 2.730 -3.033 -3.787 + 659TIP3 H2 8287 2.777 -3.050 -3.646 + 660TIP3 OH2 8288 2.934 -3.105 -2.871 + 660TIP3 H1 8289 2.925 -3.170 -2.943 + 660TIP3 H2 8290 2.949 -3.022 -2.920 + 661TIP3 OH2 8291 2.364 -3.420 -3.907 + 661TIP3 H1 8292 2.298 -3.355 -3.938 + 661TIP3 H2 8293 2.437 -3.405 -3.968 + 662TIP3 OH2 8294 2.385 -3.590 -4.213 + 662TIP3 H1 8295 2.448 -3.562 -4.145 + 662TIP3 H2 8296 2.441 -3.652 -4.265 + 663TIP3 OH2 8297 3.110 -3.489 -3.077 + 663TIP3 H1 8298 3.039 -3.422 -3.069 + 663TIP3 H2 8299 3.160 -3.454 -3.154 + 664TIP3 OH2 8300 2.711 -3.417 -3.795 + 664TIP3 H1 8301 2.644 -3.395 -3.727 + 664TIP3 H2 8302 2.774 -3.470 -3.742 + 665TIP3 OH2 8303 2.697 -3.562 -2.910 + 665TIP3 H1 8304 2.703 -3.481 -2.857 + 665TIP3 H2 8305 2.632 -3.532 -2.976 + 666TIP3 OH2 8306 1.873 -3.337 -3.617 + 666TIP3 H1 8307 1.842 -3.381 -3.698 + 666TIP3 H2 8308 1.937 -3.402 -3.582 + 667TIP3 OH2 8309 2.010 -2.995 -3.343 + 667TIP3 H1 8310 1.998 -3.038 -3.429 + 667TIP3 H2 8311 2.088 -3.042 -3.309 + 668TIP3 OH2 8312 1.933 -3.458 -3.267 + 668TIP3 H1 8313 1.990 -3.452 -3.345 + 668TIP3 H2 8314 1.970 -3.389 -3.208 + 669TIP3 OH2 8315 2.523 -2.902 -3.208 + 669TIP3 H1 8316 2.530 -2.838 -3.135 + 669TIP3 H2 8317 2.503 -2.986 -3.163 + 670TIP3 OH2 8318 2.015 -3.025 -2.784 + 670TIP3 H1 8319 1.964 -2.958 -2.734 + 670TIP3 H2 8320 1.950 -3.050 -2.852 + 671TIP3 OH2 8321 2.622 -3.469 -4.057 + 671TIP3 H1 8322 2.661 -3.443 -3.971 + 671TIP3 H2 8323 2.684 -3.425 -4.119 + 672TIP3 OH2 8324 1.709 -3.385 -2.872 + 672TIP3 H1 8325 1.714 -3.327 -2.793 + 672TIP3 H2 8326 1.612 -3.398 -2.879 + 673TIP3 OH2 8327 2.351 -2.810 -3.694 + 673TIP3 H1 8328 2.404 -2.784 -3.618 + 673TIP3 H2 8329 2.305 -2.728 -3.718 + 674TIP3 OH2 8330 1.826 -2.809 -2.702 + 674TIP3 H1 8331 1.812 -2.804 -2.798 + 674TIP3 H2 8332 1.737 -2.833 -2.668 + 675TIP3 OH2 8333 2.940 -4.335 -4.128 + 675TIP3 H1 8334 2.892 -4.332 -4.043 + 675TIP3 H2 8335 3.006 -4.266 -4.112 + 676TIP3 OH2 8336 1.767 -3.464 -3.865 + 676TIP3 H1 8337 1.741 -3.387 -3.919 + 676TIP3 H2 8338 1.697 -3.527 -3.885 + 677TIP3 OH2 8339 3.069 -2.882 -4.246 + 677TIP3 H1 8340 3.095 -2.794 -4.217 + 677TIP3 H2 8341 3.151 -2.933 -4.237 + 678TIP3 OH2 8342 1.371 -3.196 -2.990 + 678TIP3 H1 8343 1.326 -3.197 -3.077 + 678TIP3 H2 8344 1.383 -3.291 -2.972 + 679TIP3 OH2 8345 1.376 -2.902 -3.298 + 679TIP3 H1 8346 1.468 -2.932 -3.290 + 679TIP3 H2 8347 1.369 -2.842 -3.222 + 680TIP3 OH2 8348 3.215 -2.840 -2.719 + 680TIP3 H1 8349 3.206 -2.934 -2.741 + 680TIP3 H2 8350 3.123 -2.819 -2.690 + 681TIP3 OH2 8351 2.279 -2.920 -2.840 + 681TIP3 H1 8352 2.287 -2.838 -2.787 + 681TIP3 H2 8353 2.189 -2.950 -2.816 + 682TIP3 OH2 8354 2.309 -2.539 -3.846 + 682TIP3 H1 8355 2.308 -2.528 -3.943 + 682TIP3 H2 8356 2.316 -2.448 -3.814 + 683TIP3 OH2 8357 1.687 -2.625 -3.680 + 683TIP3 H1 8358 1.705 -2.669 -3.594 + 683TIP3 H2 8359 1.603 -2.666 -3.703 + 684TIP3 OH2 8360 2.619 -2.567 -4.107 + 684TIP3 H1 8361 2.673 -2.608 -4.175 + 684TIP3 H2 8362 2.627 -2.628 -4.031 + 685TIP3 OH2 8363 2.581 -2.665 -3.853 + 685TIP3 H1 8364 2.489 -2.642 -3.831 + 685TIP3 H2 8365 2.602 -2.726 -3.781 + 686TIP3 OH2 8366 2.894 -3.709 -2.679 + 686TIP3 H1 8367 2.842 -3.668 -2.750 + 686TIP3 H2 8368 2.900 -3.801 -2.711 + 687TIP3 OH2 8369 1.590 -3.042 -2.867 + 687TIP3 H1 8370 1.617 -3.087 -2.784 + 687TIP3 H2 8371 1.516 -3.096 -2.898 + 688TIP3 OH2 8372 1.912 -4.219 -3.274 + 688TIP3 H1 8373 1.830 -4.246 -3.318 + 688TIP3 H2 8374 1.883 -4.137 -3.231 + 689TIP3 OH2 8375 2.367 -4.262 -2.916 + 689TIP3 H1 8376 2.384 -4.310 -2.834 + 689TIP3 H2 8377 2.272 -4.277 -2.927 + 690TIP3 OH2 8378 2.665 -3.863 -2.873 + 690TIP3 H1 8379 2.604 -3.874 -2.797 + 690TIP3 H2 8380 2.658 -3.768 -2.892 + 691TIP3 OH2 8381 2.836 -3.385 -4.252 + 691TIP3 H1 8382 2.800 -3.396 -4.341 + 691TIP3 H2 8383 2.876 -3.297 -4.261 + 692TIP3 OH2 8384 2.328 -3.998 -4.214 + 692TIP3 H1 8385 2.273 -3.995 -4.133 + 692TIP3 H2 8386 2.278 -4.063 -4.264 + 693TIP3 OH2 8387 1.895 -3.716 -3.147 + 693TIP3 H1 8388 1.836 -3.704 -3.072 + 693TIP3 H2 8389 1.902 -3.624 -3.183 + 694TIP3 OH2 8390 1.889 -3.708 -3.659 + 694TIP3 H1 8391 1.793 -3.719 -3.674 + 694TIP3 H2 8392 1.923 -3.727 -3.749 + 695TIP3 OH2 8393 2.456 -3.655 -3.786 + 695TIP3 H1 8394 2.416 -3.570 -3.817 + 695TIP3 H2 8395 2.522 -3.671 -3.857 + 696TIP3 OH2 8396 2.370 -3.633 -2.650 + 696TIP3 H1 8397 2.318 -3.705 -2.611 + 696TIP3 H2 8398 2.456 -3.643 -2.605 + 697TIP3 OH2 8399 2.536 -3.712 -3.505 + 697TIP3 H1 8400 2.508 -3.653 -3.578 + 697TIP3 H2 8401 2.556 -3.793 -3.556 + 698TIP3 OH2 8402 1.633 -3.697 -2.966 + 698TIP3 H1 8403 1.656 -3.668 -2.877 + 698TIP3 H2 8404 1.592 -3.784 -2.947 + 699TIP3 OH2 8405 2.005 -3.958 -4.315 + 699TIP3 H1 8406 1.973 -3.985 -4.227 + 699TIP3 H2 8407 1.928 -3.906 -4.347 + 700TIP3 OH2 8408 1.316 -3.946 -3.605 + 700TIP3 H1 8409 1.368 -3.957 -3.523 + 700TIP3 H2 8410 1.365 -3.997 -3.670 + 701TIP3 OH2 8411 1.469 -3.911 -4.039 + 701TIP3 H1 8412 1.526 -3.860 -4.100 + 701TIP3 H2 8413 1.402 -3.844 -4.015 + 702TIP3 OH2 8414 2.445 -3.543 -3.059 + 702TIP3 H1 8415 2.489 -3.616 -3.108 + 702TIP3 H2 8416 2.412 -3.589 -2.981 + 703TIP3 OH2 8417 2.166 -3.944 -3.561 + 703TIP3 H1 8418 2.072 -3.957 -3.539 + 703TIP3 H2 8419 2.210 -3.971 -3.479 + 704TIP3 OH2 8420 1.627 -3.826 -3.693 + 704TIP3 H1 8421 1.542 -3.801 -3.732 + 704TIP3 H2 8422 1.650 -3.909 -3.738 + 705TIP3 OH2 8423 1.984 -3.788 -3.923 + 705TIP3 H1 8424 2.080 -3.782 -3.917 + 705TIP3 H2 8425 1.960 -3.728 -3.995 + 706TIP3 OH2 8426 2.601 -4.033 -3.256 + 706TIP3 H1 8427 2.538 -4.035 -3.181 + 706TIP3 H2 8428 2.542 -4.064 -3.327 + 707TIP3 OH2 8429 1.843 -3.673 -4.158 + 707TIP3 H1 8430 1.780 -3.721 -4.213 + 707TIP3 H2 8431 1.917 -3.657 -4.218 + 708TIP3 OH2 8432 2.902 -2.448 -2.587 + 708TIP3 H1 8433 2.935 -2.422 -2.675 + 708TIP3 H2 8434 2.978 -2.429 -2.529 + 709TIP3 OH2 8435 1.697 -3.195 -2.647 + 709TIP3 H1 8436 1.764 -3.186 -2.576 + 709TIP3 H2 8437 1.616 -3.197 -2.592 + 710TIP3 OH2 8438 2.268 -3.694 -3.375 + 710TIP3 H1 8439 2.341 -3.738 -3.421 + 710TIP3 H2 8440 2.251 -3.755 -3.301 + 711TIP3 OH2 8441 1.783 -4.067 -3.758 + 711TIP3 H1 8442 1.735 -4.151 -3.744 + 711TIP3 H2 8443 1.870 -4.098 -3.786 + 712TIP3 OH2 8444 2.165 -3.848 -3.149 + 712TIP3 H1 8445 2.088 -3.788 -3.149 + 712TIP3 H2 8446 2.214 -3.821 -3.068 + 713TIP3 OH2 8447 2.182 -3.212 -3.960 + 713TIP3 H1 8448 2.104 -3.260 -3.994 + 713TIP3 H2 8449 2.161 -3.204 -3.864 + 714TIP3 OH2 8450 2.902 -3.294 -3.087 + 714TIP3 H1 8451 2.952 -3.239 -3.151 + 714TIP3 H2 8452 2.816 -3.304 -3.133 + 715TIP3 OH2 8453 2.595 -3.924 -4.197 + 715TIP3 H1 8454 2.498 -3.936 -4.186 + 715TIP3 H2 8455 2.618 -3.859 -4.128 + 716TIP3 OH2 8456 2.344 -3.208 -2.828 + 716TIP3 H1 8457 2.314 -3.241 -2.742 + 716TIP3 H2 8458 2.312 -3.116 -2.828 + 717TIP3 OH2 8459 2.657 -3.751 -3.991 + 717TIP3 H1 8460 2.742 -3.766 -3.944 + 717TIP3 H2 8461 2.670 -3.661 -4.028 + 718TIP3 OH2 8462 1.694 -3.270 -3.378 + 718TIP3 H1 8463 1.749 -3.282 -3.457 + 718TIP3 H2 8464 1.702 -3.356 -3.334 + 719TIP3 OH2 8465 2.424 -3.075 -4.070 + 719TIP3 H1 8466 2.396 -2.987 -4.038 + 719TIP3 H2 8467 2.347 -3.129 -4.042 + 720TIP3 OH2 8468 1.419 -3.444 -2.852 + 720TIP3 H1 8469 1.434 -3.487 -2.766 + 720TIP3 H2 8470 1.358 -3.505 -2.897 + 721TIP3 OH2 8471 2.116 -3.493 -2.653 + 721TIP3 H1 8472 2.080 -3.518 -2.740 + 721TIP3 H2 8473 2.209 -3.519 -2.664 + 722TIP3 OH2 8474 2.573 -2.938 -2.882 + 722TIP3 H1 8475 2.476 -2.939 -2.888 + 722TIP3 H2 8476 2.587 -2.922 -2.787 + 723TIP3 OH2 8477 3.128 -3.737 -4.001 + 723TIP3 H1 8478 3.062 -3.754 -4.071 + 723TIP3 H2 8479 3.140 -3.642 -4.016 + 724TIP3 OH2 8480 3.168 -3.142 -2.723 + 724TIP3 H1 8481 3.074 -3.119 -2.743 + 724TIP3 H2 8482 3.201 -3.158 -2.814 + 725TIP3 OH2 8483 2.939 -2.883 -3.994 + 725TIP3 H1 8484 2.928 -2.960 -3.937 + 725TIP3 H2 8485 2.985 -2.920 -4.071 + 726TIP3 OH2 8486 2.667 -3.350 -3.256 + 726TIP3 H1 8487 2.574 -3.366 -3.280 + 726TIP3 H2 8488 2.711 -3.422 -3.305 + 727TIP3 OH2 8489 1.931 -2.943 -3.657 + 727TIP3 H1 8490 1.972 -2.856 -3.665 + 727TIP3 H2 8491 1.838 -2.923 -3.673 + 728TIP3 OH2 8492 1.538 -3.451 -4.199 + 728TIP3 H1 8493 1.592 -3.385 -4.152 + 728TIP3 H2 8494 1.448 -3.431 -4.168 + 729TIP3 OH2 8495 2.113 -3.173 -3.693 + 729TIP3 H1 8496 2.083 -3.082 -3.676 + 729TIP3 H2 8497 2.044 -3.224 -3.648 + 730TIP3 OH2 8498 2.131 -2.747 -3.056 + 730TIP3 H1 8499 2.187 -2.672 -3.082 + 730TIP3 H2 8500 2.191 -2.796 -2.997 + 731TIP3 OH2 8501 1.975 -2.652 -3.735 + 731TIP3 H1 8502 1.879 -2.639 -3.724 + 731TIP3 H2 8503 2.009 -2.565 -3.708 + 732TIP3 OH2 8504 2.471 -3.171 -3.098 + 732TIP3 H1 8505 2.442 -3.200 -3.010 + 732TIP3 H2 8506 2.545 -3.232 -3.115 + 733TIP3 OH2 8507 2.684 -3.043 -4.200 + 733TIP3 H1 8508 2.739 -3.075 -4.126 + 733TIP3 H2 8509 2.597 -3.053 -4.158 + 734TIP3 OH2 8510 2.768 -2.710 -2.864 + 734TIP3 H1 8511 2.693 -2.762 -2.899 + 734TIP3 H2 8512 2.768 -2.633 -2.921 + 735TIP3 OH2 8513 3.174 -2.597 -4.161 + 735TIP3 H1 8514 3.248 -2.535 -4.140 + 735TIP3 H2 8515 3.097 -2.542 -4.137 + 736TIP3 OH2 8516 1.552 -3.961 -2.893 + 736TIP3 H1 8517 1.461 -3.943 -2.924 + 736TIP3 H2 8518 1.536 -4.047 -2.849 + 737TIP3 OH2 8519 2.785 -3.186 -3.970 + 737TIP3 H1 8520 2.760 -3.254 -3.905 + 737TIP3 H2 8521 2.882 -3.184 -3.961 + 738TIP3 OH2 8522 1.528 -2.804 -3.053 + 738TIP3 H1 8523 1.557 -2.894 -3.030 + 738TIP3 H2 8524 1.544 -2.759 -2.969 + 739TIP3 OH2 8525 2.135 -2.940 -4.328 + 739TIP3 H1 8526 2.174 -3.025 -4.354 + 739TIP3 H2 8527 2.082 -2.967 -4.250 + 740TIP3 OH2 8528 1.993 -2.984 -4.076 + 740TIP3 H1 8529 2.043 -3.037 -4.012 + 740TIP3 H2 8530 2.013 -2.893 -4.049 + 741TIP3 OH2 8531 1.679 -3.248 -4.037 + 741TIP3 H1 8532 1.603 -3.207 -3.989 + 741TIP3 H2 8533 1.725 -3.168 -4.067 + 742TIP3 OH2 8534 2.443 -4.009 -3.027 + 742TIP3 H1 8535 2.504 -3.981 -2.958 + 742TIP3 H2 8536 2.405 -4.091 -2.993 + 743TIP3 OH2 8537 2.524 -4.050 -3.923 + 743TIP3 H1 8538 2.538 -3.984 -3.992 + 743TIP3 H2 8539 2.557 -4.003 -3.845 + 744TIP3 OH2 8540 2.287 -2.827 -4.029 + 744TIP3 H1 8541 2.210 -2.774 -4.001 + 744TIP3 H2 8542 2.340 -2.760 -4.074 + 745TIP3 OH2 8543 2.254 -3.850 -3.812 + 745TIP3 H1 8544 2.329 -3.789 -3.797 + 745TIP3 H2 8545 2.223 -3.866 -3.721 + 746TIP3 OH2 8546 2.288 -3.761 -2.901 + 746TIP3 H1 8547 2.295 -3.709 -2.818 + 746TIP3 H2 8548 2.345 -3.837 -2.881 + 747TIP3 OH2 8549 2.330 -4.171 -3.712 + 747TIP3 H1 8550 2.295 -4.096 -3.661 + 747TIP3 H2 8551 2.381 -4.126 -3.781 + 748TIP3 OH2 8552 2.007 -2.707 -4.025 + 748TIP3 H1 8553 2.012 -2.621 -4.072 + 748TIP3 H2 8554 1.994 -2.679 -3.932 + 749TIP3 OH2 8555 1.882 -4.043 -4.076 + 749TIP3 H1 8556 1.875 -3.968 -4.016 + 749TIP3 H2 8557 1.965 -4.083 -4.044 + 750TIP3 OH2 8558 2.926 -3.964 -2.818 + 750TIP3 H1 8559 2.829 -3.952 -2.827 + 750TIP3 H2 8560 2.946 -3.988 -2.909 + 751TIP3 OH2 8561 2.767 -3.574 -3.409 + 751TIP3 H1 8562 2.685 -3.620 -3.435 + 751TIP3 H2 8563 2.816 -3.645 -3.362 + 752TIP3 OH2 8564 1.719 -2.950 -4.157 + 752TIP3 H1 8565 1.802 -2.922 -4.113 + 752TIP3 H2 8566 1.756 -3.002 -4.230 + 753TIP3 OH2 8567 1.547 -3.734 -4.257 + 753TIP3 H1 8568 1.558 -3.638 -4.239 + 753TIP3 H2 8569 1.455 -3.736 -4.289 + 754TIP3 OH2 8570 2.864 -2.678 -3.252 + 754TIP3 H1 8571 2.850 -2.603 -3.312 + 754TIP3 H2 8572 2.960 -2.673 -3.239 + 755TIP3 OH2 8573 1.551 -4.241 -3.353 + 755TIP3 H1 8574 1.591 -4.245 -3.440 + 755TIP3 H2 8575 1.568 -4.332 -3.323 + 756TIP3 OH2 8576 1.519 -2.886 -3.747 + 756TIP3 H1 8577 1.440 -2.836 -3.724 + 756TIP3 H2 8578 1.556 -2.835 -3.820 + 757TIP3 OH2 8579 1.458 -2.596 -2.625 + 757TIP3 H1 8580 1.515 -2.624 -2.551 + 757TIP3 H2 8581 1.419 -2.681 -2.653 + 758TIP3 OH2 8582 1.928 -2.692 -2.451 + 758TIP3 H1 8583 1.998 -2.755 -2.428 + 758TIP3 H2 8584 1.906 -2.719 -2.542 + 759TIP3 OH2 8585 2.353 -2.756 -4.330 + 759TIP3 H1 8586 2.273 -2.812 -4.325 + 759TIP3 H2 8587 2.419 -2.822 -4.356 + 760TIP3 OH2 8588 2.581 -2.867 -2.595 + 760TIP3 H1 8589 2.538 -2.945 -2.555 + 760TIP3 H2 8590 2.646 -2.843 -2.527 + 761TIP3 OH2 8591 2.707 -2.817 4.312 + 761TIP3 H1 8592 2.706 -2.891 4.374 + 761TIP3 H2 8593 2.796 -2.821 4.276 + 762TIP3 OH2 8594 1.456 -3.235 -2.517 + 762TIP3 H1 8595 1.464 -3.326 -2.550 + 762TIP3 H2 8596 1.378 -3.204 -2.567 + 763TIP3 OH2 8597 1.881 -3.180 -4.308 + 763TIP3 H1 8598 1.898 -3.245 -4.239 + 763TIP3 H2 8599 1.954 -3.194 -4.370 + 764TIP3 OH2 8600 2.121 -3.216 -2.583 + 764TIP3 H1 8601 2.087 -3.183 -2.668 + 764TIP3 H2 8602 2.125 -3.312 -2.598 + 765TIP3 OH2 8603 2.410 -3.077 -4.347 + 765TIP3 H1 8604 2.425 -3.062 -4.252 + 765TIP3 H2 8605 2.476 -3.144 -4.368 + 766TIP3 OH2 8606 2.656 -3.254 -2.844 + 766TIP3 H1 8607 2.733 -3.199 -2.863 + 766TIP3 H2 8608 2.585 -3.188 -2.843 + 767TIP3 OH2 8609 1.542 -3.522 -2.600 + 767TIP3 H1 8610 1.615 -3.586 -2.597 + 767TIP3 H2 8611 1.536 -3.499 -2.506 + 768TIP3 OH2 8612 1.984 -3.384 -4.091 + 768TIP3 H1 8613 1.922 -3.428 -4.030 + 768TIP3 H2 8614 2.018 -3.459 -4.143 + 769TIP3 OH2 8615 1.908 -3.609 -2.855 + 769TIP3 H1 8616 1.853 -3.531 -2.836 + 769TIP3 H2 8617 1.972 -3.572 -2.919 + 770TIP3 OH2 8618 2.103 -3.575 -4.273 + 770TIP3 H1 8619 2.106 -3.598 -4.367 + 770TIP3 H2 8620 2.199 -3.577 -4.251 + 771TIP3 OH2 8621 2.437 -3.338 -2.502 + 771TIP3 H1 8622 2.528 -3.356 -2.530 + 771TIP3 H2 8623 2.413 -3.421 -2.459 + 772TIP3 OH2 8624 1.967 -3.878 -2.746 + 772TIP3 H1 8625 1.974 -3.944 -2.817 + 772TIP3 H2 8626 1.945 -3.797 -2.795 + 773TIP3 OH2 8627 2.005 -4.038 -3.003 + 773TIP3 H1 8628 2.056 -3.982 -3.064 + 773TIP3 H2 8629 1.913 -4.027 -3.037 + 774TIP3 OH2 8630 2.155 -3.488 -2.957 + 774TIP3 H1 8631 2.239 -3.495 -3.005 + 774TIP3 H2 8632 2.123 -3.400 -2.987 + 775TIP3 OH2 8633 2.611 -3.693 -2.480 + 775TIP3 H1 8634 2.633 -3.786 -2.463 + 775TIP3 H2 8635 2.699 -3.652 -2.483 + 776TIP3 OH2 8636 2.711 -3.416 -2.631 + 776TIP3 H1 8637 2.675 -3.354 -2.698 + 776TIP3 H2 8638 2.801 -3.428 -2.667 + 777TIP3 OH2 8639 1.789 -3.697 -2.561 + 777TIP3 H1 8640 1.736 -3.777 -2.561 + 777TIP3 H2 8641 1.869 -3.726 -2.608 + 778TIP3 OH2 8642 2.053 -4.278 -2.881 + 778TIP3 H1 8643 2.063 -4.187 -2.916 + 778TIP3 H2 8644 1.960 -4.293 -2.903 + 779TIP3 OH2 8645 2.201 -3.845 -2.586 + 779TIP3 H1 8646 2.168 -3.871 -2.498 + 779TIP3 H2 8647 2.120 -3.863 -2.638 + 780TIP3 OH2 8648 2.458 -3.945 -2.688 + 780TIP3 H1 8649 2.369 -3.929 -2.652 + 780TIP3 H2 8650 2.493 -4.009 -2.623 + 781TIP3 OH2 8651 2.642 -4.139 -2.513 + 781TIP3 H1 8652 2.610 -4.224 -2.480 + 781TIP3 H2 8653 2.616 -4.077 -2.442 + 782TIP3 OH2 8654 1.668 -3.961 -2.575 + 782TIP3 H1 8655 1.640 -4.020 -2.646 + 782TIP3 H2 8656 1.621 -3.997 -2.498 + 783TIP3 OH2 8657 2.163 -4.146 -2.475 + 783TIP3 H1 8658 2.139 -4.228 -2.522 + 783TIP3 H2 8659 2.078 -4.099 -2.469 + 784TIP3 OH2 8660 2.063 -2.458 -4.171 + 784TIP3 H1 8661 2.159 -2.448 -4.163 + 784TIP3 H2 8662 2.040 -2.398 -4.243 + 785TIP3 OH2 8663 1.449 -3.052 -4.194 + 785TIP3 H1 8664 1.539 -3.016 -4.199 + 785TIP3 H2 8665 1.441 -3.105 -4.275 + 786TIP3 OH2 8666 1.351 -2.501 -3.720 + 786TIP3 H1 8667 1.279 -2.537 -3.776 + 786TIP3 H2 8668 1.356 -2.569 -3.650 + 787TIP3 OH2 8669 1.388 -2.698 -3.520 + 787TIP3 H1 8670 1.358 -2.785 -3.489 + 787TIP3 H2 8671 1.420 -2.662 -3.436 + 788TIP3 OH2 8672 3.138 -2.550 -3.204 + 788TIP3 H1 8673 3.172 -2.581 -3.119 + 788TIP3 H2 8674 3.218 -2.548 -3.258 + 789TIP3 OH2 8675 3.128 -2.618 -2.920 + 789TIP3 H1 8676 3.079 -2.692 -2.962 + 789TIP3 H2 8677 3.186 -2.671 -2.862 + 790TIP3 OH2 8678 2.931 -3.085 -2.502 + 790TIP3 H1 8679 2.842 -3.076 -2.462 + 790TIP3 H2 8680 2.976 -3.005 -2.471 + 791TIP3 OH2 8681 3.070 -3.202 -3.931 + 791TIP3 H1 8682 3.158 -3.160 -3.919 + 791TIP3 H2 8683 3.071 -3.263 -3.855 + 792TIP3 OH2 8684 3.116 -3.403 -3.734 + 792TIP3 H1 8685 3.051 -3.457 -3.686 + 792TIP3 H2 8686 3.185 -3.386 -3.666 + 793TIP3 OH2 8687 3.087 -3.149 -3.235 + 793TIP3 H1 8688 3.151 -3.197 -3.291 + 793TIP3 H2 8689 3.108 -3.057 -3.260 + 794TIP3 OH2 8690 2.963 -2.857 -3.009 + 794TIP3 H1 8691 2.889 -2.818 -2.960 + 794TIP3 H2 8692 2.920 -2.895 -3.087 + 795TIP3 OH2 8693 3.142 -3.436 -4.108 + 795TIP3 H1 8694 3.084 -3.399 -4.176 + 795TIP3 H2 8695 3.128 -3.370 -4.037 + 796TIP3 OH2 8696 2.963 -3.697 -4.220 + 796TIP3 H1 8697 2.999 -3.621 -4.268 + 796TIP3 H2 8698 3.011 -3.770 -4.260 + 797TIP3 OH2 8699 2.909 -3.586 -3.650 + 797TIP3 H1 8700 2.900 -3.681 -3.665 + 797TIP3 H2 8701 2.872 -3.576 -3.560 + 798TIP3 OH2 8702 1.395 -3.364 -3.280 + 798TIP3 H1 8703 1.420 -3.359 -3.374 + 798TIP3 H2 8704 1.481 -3.386 -3.239 + 799TIP3 OH2 8705 2.971 -3.393 -2.734 + 799TIP3 H1 8706 3.046 -3.454 -2.719 + 799TIP3 H2 8707 3.016 -3.310 -2.755 + 800TIP3 OH2 8708 3.126 -3.584 -2.613 + 800TIP3 H1 8709 3.047 -3.636 -2.637 + 800TIP3 H2 8710 3.196 -3.652 -2.616 + 801TIP3 OH2 8711 2.891 -4.023 -4.341 + 801TIP3 H1 8712 2.950 -4.044 -4.267 + 801TIP3 H2 8713 2.803 -4.044 -4.306 + 802TIP3 OH2 8714 2.886 -3.827 -3.837 + 802TIP3 H1 8715 2.908 -3.922 -3.828 + 802TIP3 H2 8716 2.971 -3.792 -3.870 + 803TIP3 OH2 8717 2.920 -3.774 -3.292 + 803TIP3 H1 8718 3.017 -3.767 -3.294 + 803TIP3 H2 8719 2.905 -3.775 -3.196 + 804TIP3 OH2 8720 2.934 -3.706 -3.006 + 804TIP3 H1 8721 2.850 -3.664 -2.980 + 804TIP3 H2 8722 2.989 -3.629 -3.028 + 805TIP3 OH2 8723 1.381 -3.835 -2.626 + 805TIP3 H1 8724 1.472 -3.859 -2.645 + 805TIP3 H2 8725 1.336 -3.921 -2.630 + 806TIP3 OH2 8726 3.142 -4.281 -2.433 + 806TIP3 H1 8727 3.214 -4.345 -2.447 + 806TIP3 H2 8728 3.151 -4.217 -2.507 + 807TIP3 OH2 8729 2.924 -4.097 -3.823 + 807TIP3 H1 8730 2.948 -4.146 -3.743 + 807TIP3 H2 8731 2.862 -4.159 -3.865 + 808TIP3 OH2 8732 1.456 -3.989 -3.362 + 808TIP3 H1 8733 1.486 -4.082 -3.350 + 808TIP3 H2 8734 1.530 -3.940 -3.322 + 809TIP3 OH2 8735 1.317 -3.729 -3.256 + 809TIP3 H1 8736 1.375 -3.733 -3.334 + 809TIP3 H2 8737 1.354 -3.653 -3.209 + 810TIP3 OH2 8738 3.129 -4.111 -2.644 + 810TIP3 H1 8739 3.044 -4.063 -2.638 + 810TIP3 H2 8740 3.121 -4.147 -2.735 + 811TIP3 OH2 8741 3.141 -4.072 -4.176 + 811TIP3 H1 8742 3.170 -4.146 -4.231 + 811TIP3 H2 8743 3.222 -4.019 -4.169 + 812TIP3 OH2 8744 1.372 -4.098 -3.851 + 812TIP3 H1 8745 1.276 -4.098 -3.871 + 812TIP3 H2 8746 1.408 -4.032 -3.913 + 813TIP3 OH2 8747 2.829 -2.570 -3.640 + 813TIP3 H1 8748 2.877 -2.596 -3.720 + 813TIP3 H2 8749 2.901 -2.532 -3.588 + 814TIP3 OH2 8750 1.349 -4.126 -3.000 + 814TIP3 H1 8751 1.349 -4.220 -2.973 + 814TIP3 H2 8752 1.325 -4.134 -3.093 + 815TIP3 OH2 8753 1.570 -2.897 -2.568 + 815TIP3 H1 8754 1.496 -2.896 -2.630 + 815TIP3 H2 8755 1.526 -2.900 -2.482 + 816TIP3 OH2 8756 1.854 -2.800 -3.001 + 816TIP3 H1 8757 1.822 -2.714 -3.033 + 816TIP3 H2 8758 1.950 -2.789 -3.018 + 817TIP3 OH2 8759 2.306 -2.670 -2.699 + 817TIP3 H1 8760 2.316 -2.685 -2.603 + 817TIP3 H2 8761 2.389 -2.623 -2.720 + 818TIP3 OH2 8762 2.537 -2.516 -2.776 + 818TIP3 H1 8763 2.601 -2.587 -2.796 + 818TIP3 H2 8764 2.563 -2.492 -2.685 + 819TIP3 OH2 8765 2.993 -4.277 -2.854 + 819TIP3 H1 8766 2.943 -4.214 -2.908 + 819TIP3 H2 8767 3.010 -4.345 -2.921 + 820TIP3 OH2 8768 1.590 -2.506 -2.968 + 820TIP3 H1 8769 1.531 -2.443 -3.012 + 820TIP3 H2 8770 1.566 -2.490 -2.876 + 821TIP3 OH2 8771 1.841 -2.524 -3.111 + 821TIP3 H1 8772 1.756 -2.509 -3.066 + 821TIP3 H2 8773 1.840 -2.454 -3.178 + 822TIP3 OH2 8774 2.318 -2.526 -3.155 + 822TIP3 H1 8775 2.278 -2.481 -3.232 + 822TIP3 H2 8776 2.323 -2.453 -3.091 + 823TIP3 OH2 8777 2.557 -2.644 -3.065 + 823TIP3 H1 8778 2.468 -2.620 -3.097 + 823TIP3 H2 8779 2.603 -2.559 -3.071 + 824TIP3 OH2 8780 2.805 -2.434 -3.059 + 824TIP3 H1 8781 2.781 -2.366 -3.123 + 824TIP3 H2 8782 2.831 -2.504 -3.122 + 825TIP3 OH2 8783 1.552 -2.622 -3.273 + 825TIP3 H1 8784 1.546 -2.669 -3.188 + 825TIP3 H2 8785 1.627 -2.668 -3.315 + 826TIP3 OH2 8786 1.753 -2.749 -3.431 + 826TIP3 H1 8787 1.735 -2.841 -3.401 + 826TIP3 H2 8788 1.843 -2.734 -3.395 + 827TIP3 OH2 8789 2.029 -2.700 -3.339 + 827TIP3 H1 8790 2.046 -2.794 -3.361 + 827TIP3 H2 8791 2.034 -2.704 -3.243 + 828TIP3 OH2 8792 2.357 -4.112 -3.411 + 828TIP3 H1 8793 2.295 -4.182 -3.382 + 828TIP3 H2 8794 2.417 -4.162 -3.469 + 829TIP3 OH2 8795 2.886 -4.329 -3.364 + 829TIP3 H1 8796 2.945 -4.288 -3.430 + 829TIP3 H2 8797 2.798 -4.306 -3.396 + 830TIP3 OH2 8798 3.081 -4.225 -3.583 + 830TIP3 H1 8799 3.134 -4.246 -3.660 + 830TIP3 H2 8800 3.100 -4.130 -3.569 + 831TIP3 OH2 8801 1.594 -4.284 -3.682 + 831TIP3 H1 8802 1.500 -4.300 -3.697 + 831TIP3 H2 8803 1.624 -4.366 -3.641 + 832TIP3 OH2 8804 1.456 -4.282 -4.068 + 832TIP3 H1 8805 1.505 -4.228 -4.133 + 832TIP3 H2 8806 1.416 -4.214 -4.012 + 833TIP3 OH2 8807 2.043 -4.231 -3.658 + 833TIP3 H1 8808 2.139 -4.234 -3.669 + 833TIP3 H2 8809 2.027 -4.290 -3.583 + 834TIP3 OH2 8810 2.598 -4.265 -3.515 + 834TIP3 H1 8811 2.630 -4.263 -3.606 + 834TIP3 H2 8812 2.583 -4.359 -3.499 + 835TIP3 OH2 8813 2.705 -4.271 -3.917 + 835TIP3 H1 8814 2.631 -4.214 -3.943 + 835TIP3 H2 8815 2.667 -4.359 -3.919 + 836TIP3 OH2 8816 1.483 -2.695 -3.966 + 836TIP3 H1 8817 1.411 -2.698 -4.032 + 836TIP3 H2 8818 1.482 -2.602 -3.942 + 837TIP3 OH2 8819 1.642 -4.121 -4.226 + 837TIP3 H1 8820 1.705 -4.164 -4.285 + 837TIP3 H2 8821 1.702 -4.062 -4.176 + 838TIP3 OH2 8822 2.166 -4.057 -3.986 + 838TIP3 H1 8823 2.176 -4.142 -3.939 + 838TIP3 H2 8824 2.185 -3.991 -3.917 + 839TIP3 OH2 8825 2.349 -2.529 -4.147 + 839TIP3 H1 8826 2.447 -2.517 -4.139 + 839TIP3 H2 8827 2.347 -2.591 -4.222 + 840TIP3 OH2 8828 3.022 -2.615 -3.880 + 840TIP3 H1 8829 2.994 -2.697 -3.926 + 840TIP3 H2 8830 3.000 -2.546 -3.945 + 841TIP3 OH2 8831 1.556 -4.178 -2.731 + 841TIP3 H1 8832 1.509 -4.257 -2.701 + 841TIP3 H2 8833 1.644 -4.216 -2.743 + 842TIP3 OH2 8834 1.849 -4.279 -2.468 + 842TIP3 H1 8835 1.936 -4.306 -2.506 + 842TIP3 H2 8836 1.824 -4.357 -2.417 + 843TIP3 OH2 8837 1.685 -2.587 -4.232 + 843TIP3 H1 8838 1.639 -2.565 -4.150 + 843TIP3 H2 8839 1.745 -2.657 -4.206 + 844TIP3 OH2 8840 2.963 -2.735 -2.643 + 844TIP3 H1 8841 2.889 -2.757 -2.703 + 844TIP3 H2 8842 2.939 -2.644 -2.617 + 845TIP3 OH2 8843 4.215 -3.463 -3.312 + 845TIP3 H1 8844 4.292 -3.430 -3.262 + 845TIP3 H2 8845 4.246 -3.459 -3.403 + 846TIP3 OH2 8846 3.516 -3.466 -3.153 + 846TIP3 H1 8847 3.516 -3.538 -3.088 + 846TIP3 H2 8848 3.586 -3.409 -3.118 + 847TIP3 OH2 8849 3.577 -2.999 -3.286 + 847TIP3 H1 8850 3.554 -3.082 -3.331 + 847TIP3 H2 8851 3.673 -3.001 -3.290 + 848TIP3 OH2 8852 3.282 -3.664 -3.764 + 848TIP3 H1 8853 3.247 -3.575 -3.748 + 848TIP3 H2 8854 3.206 -3.707 -3.806 + 849TIP3 OH2 8855 3.358 -3.418 -3.583 + 849TIP3 H1 8856 3.378 -3.496 -3.528 + 849TIP3 H2 8857 3.445 -3.396 -3.620 + 850TIP3 OH2 8858 4.120 -3.172 -3.253 + 850TIP3 H1 8859 4.146 -3.245 -3.311 + 850TIP3 H2 8860 4.204 -3.150 -3.210 + 851TIP3 OH2 8861 3.742 -3.942 -3.503 + 851TIP3 H1 8862 3.759 -3.855 -3.546 + 851TIP3 H2 8863 3.706 -3.991 -3.579 + 852TIP3 OH2 8864 3.411 -3.664 -3.454 + 852TIP3 H1 8865 3.474 -3.711 -3.396 + 852TIP3 H2 8866 3.421 -3.713 -3.537 + 853TIP3 OH2 8867 3.953 -3.528 -3.507 + 853TIP3 H1 8868 4.027 -3.581 -3.472 + 853TIP3 H2 8869 3.902 -3.598 -3.553 + 854TIP3 OH2 8870 3.621 -4.058 -3.088 + 854TIP3 H1 8871 3.590 -4.000 -3.159 + 854TIP3 H2 8872 3.555 -4.036 -3.018 + 855TIP3 OH2 8873 3.915 -3.275 -3.074 + 855TIP3 H1 8874 3.842 -3.214 -3.049 + 855TIP3 H2 8875 3.980 -3.214 -3.114 + 856TIP3 OH2 8876 3.584 -3.857 -3.293 + 856TIP3 H1 8877 3.646 -3.795 -3.249 + 856TIP3 H2 8878 3.641 -3.890 -3.366 + 857TIP3 OH2 8879 3.716 -3.084 -3.000 + 857TIP3 H1 8880 3.711 -2.997 -3.043 + 857TIP3 H2 8881 3.627 -3.087 -2.960 + 858TIP3 OH2 8882 3.341 -3.101 -3.917 + 858TIP3 H1 8883 3.327 -3.050 -3.998 + 858TIP3 H2 8884 3.372 -3.032 -3.853 + 859TIP3 OH2 8885 4.047 4.380 -3.363 + 859TIP3 H1 8886 4.040 4.285 -3.348 + 859TIP3 H2 8887 3.961 4.416 -3.332 + 860TIP3 OH2 8888 4.268 -3.431 -3.919 + 860TIP3 H1 8889 4.199 -3.361 -3.923 + 860TIP3 H2 8890 4.334 -3.392 -3.977 + 861TIP3 OH2 8891 4.287 -3.575 -4.213 + 861TIP3 H1 8892 4.353 -3.570 -4.142 + 861TIP3 H2 8893 4.300 -3.663 -4.247 + 862TIP3 OH2 8894 3.759 -3.341 -3.613 + 862TIP3 H1 8895 3.729 -3.381 -3.696 + 862TIP3 H2 8896 3.825 -3.405 -3.581 + 863TIP3 OH2 8897 3.898 -2.999 -3.339 + 863TIP3 H1 8898 3.885 -3.034 -3.428 + 863TIP3 H2 8899 3.977 -3.046 -3.308 + 864TIP3 OH2 8900 3.817 -3.459 -3.266 + 864TIP3 H1 8901 3.876 -3.457 -3.344 + 864TIP3 H2 8902 3.856 -3.390 -3.209 + 865TIP3 OH2 8903 3.903 -3.023 -2.784 + 865TIP3 H1 8904 3.852 -2.956 -2.736 + 865TIP3 H2 8905 3.839 -3.048 -2.855 + 866TIP3 OH2 8906 3.595 -3.389 -2.868 + 866TIP3 H1 8907 3.601 -3.327 -2.793 + 866TIP3 H2 8908 3.499 -3.397 -2.880 + 867TIP3 OH2 8909 4.257 -2.813 -3.701 + 867TIP3 H1 8910 4.300 -2.764 -3.629 + 867TIP3 H2 8911 4.201 -2.744 -3.741 + 868TIP3 OH2 8912 3.710 -2.804 -2.701 + 868TIP3 H1 8913 3.701 -2.802 -2.798 + 868TIP3 H2 8914 3.623 -2.835 -2.671 + 869TIP3 OH2 8915 3.654 -3.466 -3.867 + 869TIP3 H1 8916 3.628 -3.386 -3.916 + 869TIP3 H2 8917 3.580 -3.525 -3.886 + 870TIP3 OH2 8918 3.254 -3.196 -2.988 + 870TIP3 H1 8919 3.214 -3.194 -3.077 + 870TIP3 H2 8920 3.268 -3.292 -2.975 + 871TIP3 OH2 8921 3.259 -2.919 -3.281 + 871TIP3 H1 8922 3.353 -2.935 -3.302 + 871TIP3 H2 8923 3.265 -2.843 -3.223 + 872TIP3 OH2 8924 4.174 -2.922 -2.833 + 872TIP3 H1 8925 4.181 -2.833 -2.796 + 872TIP3 H2 8926 4.082 -2.948 -2.812 + 873TIP3 OH2 8927 4.189 -2.540 -3.845 + 873TIP3 H1 8928 4.204 -2.535 -3.941 + 873TIP3 H2 8929 4.207 -2.451 -3.813 + 874TIP3 OH2 8930 3.472 -3.039 -2.861 + 874TIP3 H1 8931 3.502 -3.090 -2.784 + 874TIP3 H2 8932 3.401 -3.094 -2.899 + 875TIP3 OH2 8933 3.798 -4.220 -3.274 + 875TIP3 H1 8934 3.716 -4.245 -3.318 + 875TIP3 H2 8935 3.772 -4.135 -3.234 + 876TIP3 OH2 8936 4.227 -4.309 -2.913 + 876TIP3 H1 8937 4.258 -4.314 -2.822 + 876TIP3 H2 8938 4.133 -4.283 -2.902 + 877TIP3 OH2 8939 4.221 -3.984 -4.205 + 877TIP3 H1 8940 4.156 -3.994 -4.133 + 877TIP3 H2 8941 4.191 -4.051 -4.266 + 878TIP3 OH2 8942 3.778 -3.715 -3.148 + 878TIP3 H1 8943 3.717 -3.701 -3.073 + 878TIP3 H2 8944 3.788 -3.624 -3.184 + 879TIP3 OH2 8945 3.775 -3.711 -3.658 + 879TIP3 H1 8946 3.679 -3.717 -3.675 + 879TIP3 H2 8947 3.809 -3.724 -3.748 + 880TIP3 OH2 8948 4.279 -3.673 -3.707 + 880TIP3 H1 8949 4.278 -3.578 -3.724 + 880TIP3 H2 8950 4.373 -3.694 -3.701 + 881TIP3 OH2 8951 4.250 -3.626 -2.628 + 881TIP3 H1 8952 4.193 -3.706 -2.617 + 881TIP3 H2 8953 4.337 -3.670 -2.625 + 882TIP3 OH2 8954 3.520 -3.698 -2.965 + 882TIP3 H1 8955 3.542 -3.667 -2.877 + 882TIP3 H2 8956 3.479 -3.784 -2.945 + 883TIP3 OH2 8957 3.889 -3.962 -4.318 + 883TIP3 H1 8958 3.861 -3.986 -4.228 + 883TIP3 H2 8959 3.816 -3.905 -4.346 + 884TIP3 OH2 8960 3.195 -3.959 -3.601 + 884TIP3 H1 8961 3.253 -3.955 -3.522 + 884TIP3 H2 8962 3.254 -3.993 -3.670 + 885TIP3 OH2 8963 3.352 -3.912 -4.039 + 885TIP3 H1 8964 3.412 -3.862 -4.099 + 885TIP3 H2 8965 3.288 -3.843 -4.015 + 886TIP3 OH2 8966 4.351 -3.573 -3.023 + 886TIP3 H1 8967 4.380 -3.639 -3.089 + 886TIP3 H2 8968 4.272 -3.615 -2.988 + 887TIP3 OH2 8969 4.048 -3.974 -3.560 + 887TIP3 H1 8970 3.956 -3.960 -3.533 + 887TIP3 H2 8971 4.095 -3.950 -3.478 + 888TIP3 OH2 8972 3.508 -3.829 -3.689 + 888TIP3 H1 8973 3.427 -3.799 -3.734 + 888TIP3 H2 8974 3.535 -3.908 -3.739 + 889TIP3 OH2 8975 3.867 -3.789 -3.924 + 889TIP3 H1 8976 3.964 -3.781 -3.918 + 889TIP3 H2 8977 3.844 -3.729 -3.997 + 890TIP3 OH2 8978 3.731 -3.677 -4.158 + 890TIP3 H1 8979 3.667 -3.722 -4.215 + 890TIP3 H2 8980 3.803 -3.655 -4.218 + 891TIP3 OH2 8981 3.582 -3.196 -2.647 + 891TIP3 H1 8982 3.650 -3.187 -2.577 + 891TIP3 H2 8983 3.502 -3.195 -2.591 + 892TIP3 OH2 8984 4.137 -3.741 -3.415 + 892TIP3 H1 8985 4.218 -3.764 -3.462 + 892TIP3 H2 8986 4.166 -3.744 -3.323 + 893TIP3 OH2 8987 3.668 -4.066 -3.756 + 893TIP3 H1 8988 3.622 -4.151 -3.744 + 893TIP3 H2 8989 3.753 -4.094 -3.792 + 894TIP3 OH2 8990 4.047 -3.861 -3.141 + 894TIP3 H1 8991 3.980 -3.793 -3.162 + 894TIP3 H2 8992 4.100 -3.815 -3.074 + 895TIP3 OH2 8993 4.072 -3.228 -3.954 + 895TIP3 H1 8994 3.992 -3.269 -3.991 + 895TIP3 H2 8995 4.049 -3.213 -3.860 + 896TIP3 OH2 8996 4.208 -3.224 -2.832 + 896TIP3 H1 8997 4.182 -3.233 -2.740 + 896TIP3 H2 8998 4.213 -3.128 -2.845 + 897TIP3 OH2 8999 3.575 -3.273 -3.378 + 897TIP3 H1 9000 3.632 -3.276 -3.457 + 897TIP3 H2 9001 3.593 -3.358 -3.336 + 898TIP3 OH2 9002 4.284 -3.081 -4.052 + 898TIP3 H1 9003 4.254 -2.990 -4.032 + 898TIP3 H2 9004 4.207 -3.133 -4.021 + 899TIP3 OH2 9005 3.304 -3.444 -2.852 + 899TIP3 H1 9006 3.320 -3.489 -2.766 + 899TIP3 H2 9007 3.244 -3.505 -2.898 + 900TIP3 OH2 9008 4.001 -3.494 -2.649 + 900TIP3 H1 9009 3.966 -3.523 -2.735 + 900TIP3 H2 9010 4.096 -3.517 -2.659 + 901TIP3 OH2 9011 3.820 -2.944 -3.650 + 901TIP3 H1 9012 3.848 -2.853 -3.670 + 901TIP3 H2 9013 3.723 -2.937 -3.664 + 902TIP3 OH2 9014 3.423 -3.450 -4.199 + 902TIP3 H1 9015 3.479 -3.384 -4.152 + 902TIP3 H2 9016 3.334 -3.429 -4.165 + 903TIP3 OH2 9017 3.995 -3.175 -3.694 + 903TIP3 H1 9018 3.970 -3.083 -3.676 + 903TIP3 H2 9019 3.924 -3.223 -3.648 + 904TIP3 OH2 9020 4.020 -2.744 -3.049 + 904TIP3 H1 9021 4.077 -2.673 -3.086 + 904TIP3 H2 9022 4.085 -2.795 -3.000 + 905TIP3 OH2 9023 3.831 -2.644 -3.740 + 905TIP3 H1 9024 3.740 -2.648 -3.711 + 905TIP3 H2 9025 3.862 -2.558 -3.707 + 906TIP3 OH2 9026 3.437 -3.962 -2.892 + 906TIP3 H1 9027 3.346 -3.942 -2.924 + 906TIP3 H2 9028 3.420 -4.048 -2.849 + 907TIP3 OH2 9029 3.407 -2.797 -3.046 + 907TIP3 H1 9030 3.437 -2.889 -3.045 + 907TIP3 H2 9031 3.442 -2.766 -2.962 + 908TIP3 OH2 9032 4.016 -2.941 -4.332 + 908TIP3 H1 9033 4.074 -3.017 -4.349 + 908TIP3 H2 9034 3.972 -2.968 -4.249 + 909TIP3 OH2 9035 3.886 -2.990 -4.078 + 909TIP3 H1 9036 3.925 -3.039 -4.004 + 909TIP3 H2 9037 3.896 -2.897 -4.048 + 910TIP3 OH2 9038 3.558 -3.245 -4.035 + 910TIP3 H1 9039 3.485 -3.204 -3.985 + 910TIP3 H2 9040 3.608 -3.166 -4.060 + 911TIP3 OH2 9041 4.329 -3.929 -2.977 + 911TIP3 H1 9042 4.392 -4.003 -2.988 + 911TIP3 H2 9043 4.270 -3.956 -3.049 + 912TIP3 OH2 9044 4.169 -2.822 -4.025 + 912TIP3 H1 9045 4.088 -2.773 -4.001 + 912TIP3 H2 9046 4.210 -2.761 -4.088 + 913TIP3 OH2 9047 4.132 -3.867 -3.815 + 913TIP3 H1 9048 4.196 -3.797 -3.788 + 913TIP3 H2 9049 4.097 -3.888 -3.726 + 914TIP3 OH2 9050 4.147 -3.763 -2.879 + 914TIP3 H1 9051 4.183 -3.701 -2.815 + 914TIP3 H2 9052 4.221 -3.826 -2.895 + 915TIP3 OH2 9053 4.198 -4.170 -3.689 + 915TIP3 H1 9054 4.171 -4.085 -3.650 + 915TIP3 H2 9055 4.271 -4.145 -3.749 + 916TIP3 OH2 9056 3.896 -2.710 -4.022 + 916TIP3 H1 9057 3.898 -2.623 -4.067 + 916TIP3 H2 9058 3.869 -2.684 -3.931 + 917TIP3 OH2 9059 3.767 -4.044 -4.073 + 917TIP3 H1 9060 3.762 -3.965 -4.016 + 917TIP3 H2 9061 3.853 -4.081 -4.045 + 918TIP3 OH2 9062 3.604 -2.950 -4.161 + 918TIP3 H1 9063 3.678 -2.916 -4.108 + 918TIP3 H2 9064 3.650 -3.003 -4.227 + 919TIP3 OH2 9065 3.431 -3.734 -4.255 + 919TIP3 H1 9066 3.445 -3.638 -4.239 + 919TIP3 H2 9067 3.340 -3.735 -4.288 + 920TIP3 OH2 9068 3.435 -4.244 -3.355 + 920TIP3 H1 9069 3.478 -4.246 -3.442 + 920TIP3 H2 9070 3.455 -4.334 -3.325 + 921TIP3 OH2 9071 3.342 -2.595 -2.625 + 921TIP3 H1 9072 3.403 -2.625 -2.554 + 921TIP3 H2 9073 3.305 -2.681 -2.655 + 922TIP3 OH2 9074 3.813 -2.691 -2.451 + 922TIP3 H1 9075 3.881 -2.756 -2.429 + 922TIP3 H2 9076 3.790 -2.719 -2.541 + 923TIP3 OH2 9077 4.232 -2.757 -4.318 + 923TIP3 H1 9078 4.152 -2.813 -4.325 + 923TIP3 H2 9079 4.297 -2.815 -4.358 + 924TIP3 OH2 9080 3.341 -3.236 -2.516 + 924TIP3 H1 9081 3.350 -3.326 -2.553 + 924TIP3 H2 9082 3.264 -3.204 -2.568 + 925TIP3 OH2 9083 3.764 -3.201 -4.317 + 925TIP3 H1 9084 3.792 -3.242 -4.234 + 925TIP3 H2 9085 3.848 -3.190 -4.366 + 926TIP3 OH2 9086 4.008 -3.214 -2.584 + 926TIP3 H1 9087 3.978 -3.181 -2.671 + 926TIP3 H2 9088 4.014 -3.311 -2.599 + 927TIP3 OH2 9089 4.272 -3.081 -4.352 + 927TIP3 H1 9090 4.322 -3.044 -4.276 + 927TIP3 H2 9091 4.333 -3.149 -4.383 + 928TIP3 OH2 9092 3.427 -3.525 -2.599 + 928TIP3 H1 9093 3.503 -3.585 -2.598 + 928TIP3 H2 9094 3.422 -3.499 -2.506 + 929TIP3 OH2 9095 3.865 -3.384 -4.095 + 929TIP3 H1 9096 3.806 -3.427 -4.031 + 929TIP3 H2 9097 3.901 -3.460 -4.143 + 930TIP3 OH2 9098 3.796 -3.604 -2.852 + 930TIP3 H1 9099 3.738 -3.527 -2.838 + 930TIP3 H2 9100 3.852 -3.573 -2.925 + 931TIP3 OH2 9101 3.999 -3.592 -4.269 + 931TIP3 H1 9102 3.981 -3.582 -4.363 + 931TIP3 H2 9103 4.090 -3.561 -4.259 + 932TIP3 OH2 9104 4.283 -3.359 -2.484 + 932TIP3 H1 9105 4.352 -3.389 -2.543 + 932TIP3 H2 9106 4.267 -3.441 -2.434 + 933TIP3 OH2 9107 3.852 -3.879 -2.742 + 933TIP3 H1 9108 3.864 -3.942 -2.815 + 933TIP3 H2 9109 3.839 -3.795 -2.791 + 934TIP3 OH2 9110 3.890 -4.041 -3.003 + 934TIP3 H1 9111 3.943 -3.981 -3.060 + 934TIP3 H2 9112 3.800 -4.026 -3.036 + 935TIP3 OH2 9113 4.068 -3.493 -2.967 + 935TIP3 H1 9114 4.136 -3.491 -3.036 + 935TIP3 H2 9115 4.028 -3.405 -2.978 + 936TIP3 OH2 9116 3.675 -3.698 -2.558 + 936TIP3 H1 9117 3.622 -3.780 -2.563 + 936TIP3 H2 9118 3.754 -3.723 -2.609 + 937TIP3 OH2 9119 3.948 -4.280 -2.886 + 937TIP3 H1 9120 3.943 -4.187 -2.920 + 937TIP3 H2 9121 3.864 -4.314 -2.920 + 938TIP3 OH2 9122 4.106 -3.856 -2.588 + 938TIP3 H1 9123 4.070 -3.887 -2.503 + 938TIP3 H2 9124 4.030 -3.875 -2.647 + 939TIP3 OH2 9125 3.552 -3.959 -2.575 + 939TIP3 H1 9126 3.526 -4.019 -2.647 + 939TIP3 H2 9127 3.506 -3.997 -2.499 + 940TIP3 OH2 9128 4.054 -4.147 -2.471 + 940TIP3 H1 9129 4.027 -4.228 -2.517 + 940TIP3 H2 9130 3.971 -4.095 -2.468 + 941TIP3 OH2 9131 3.960 -2.462 -4.172 + 941TIP3 H1 9132 4.055 -2.445 -4.163 + 941TIP3 H2 9133 3.933 -2.399 -4.241 + 942TIP3 OH2 9134 3.332 -3.053 -4.201 + 942TIP3 H1 9135 3.421 -3.013 -4.193 + 942TIP3 H2 9136 3.340 -3.106 -4.281 + 943TIP3 OH2 9137 3.236 -2.498 -3.720 + 943TIP3 H1 9138 3.165 -2.535 -3.776 + 943TIP3 H2 9139 3.242 -2.567 -3.651 + 944TIP3 OH2 9140 3.239 -2.676 -3.505 + 944TIP3 H1 9141 3.254 -2.770 -3.527 + 944TIP3 H2 9142 3.303 -2.665 -3.433 + 945TIP3 OH2 9143 3.280 -3.368 -3.280 + 945TIP3 H1 9144 3.304 -3.355 -3.373 + 945TIP3 H2 9145 3.368 -3.385 -3.241 + 946TIP3 OH2 9146 3.267 -3.836 -2.625 + 946TIP3 H1 9147 3.358 -3.858 -2.646 + 946TIP3 H2 9148 3.223 -3.922 -2.632 + 947TIP3 OH2 9149 3.342 -3.991 -3.361 + 947TIP3 H1 9150 3.373 -4.083 -3.350 + 947TIP3 H2 9151 3.416 -3.941 -3.323 + 948TIP3 OH2 9152 3.203 -3.728 -3.257 + 948TIP3 H1 9153 3.262 -3.731 -3.334 + 948TIP3 H2 9154 3.239 -3.653 -3.209 + 949TIP3 OH2 9155 3.257 -4.103 -3.854 + 949TIP3 H1 9156 3.162 -4.095 -3.871 + 949TIP3 H2 9157 3.295 -4.033 -3.912 + 950TIP3 OH2 9158 3.232 -4.127 -2.998 + 950TIP3 H1 9159 3.235 -4.221 -2.973 + 950TIP3 H2 9160 3.212 -4.133 -3.092 + 951TIP3 OH2 9161 3.456 -2.895 -2.566 + 951TIP3 H1 9162 3.384 -2.900 -2.631 + 951TIP3 H2 9163 3.409 -2.901 -2.482 + 952TIP3 OH2 9164 3.740 -2.795 -2.996 + 952TIP3 H1 9165 3.710 -2.712 -3.037 + 952TIP3 H2 9166 3.836 -2.789 -3.015 + 953TIP3 OH2 9167 4.220 -2.635 -2.710 + 953TIP3 H1 9168 4.205 -2.671 -2.621 + 953TIP3 H2 9169 4.314 -2.613 -2.704 + 954TIP3 OH2 9170 3.478 -2.501 -2.965 + 954TIP3 H1 9171 3.422 -2.438 -3.013 + 954TIP3 H2 9172 3.441 -2.498 -2.876 + 955TIP3 OH2 9173 3.732 -2.523 -3.106 + 955TIP3 H1 9174 3.645 -2.506 -3.066 + 955TIP3 H2 9175 3.735 -2.458 -3.178 + 956TIP3 OH2 9176 4.197 -2.548 -3.154 + 956TIP3 H1 9177 4.178 -2.500 -3.236 + 956TIP3 H2 9178 4.258 -2.489 -3.109 + 957TIP3 OH2 9179 3.430 -2.624 -3.270 + 957TIP3 H1 9180 3.436 -2.676 -3.187 + 957TIP3 H2 9181 3.507 -2.661 -3.318 + 958TIP3 OH2 9182 3.640 -2.718 -3.409 + 958TIP3 H1 9183 3.616 -2.804 -3.450 + 958TIP3 H2 9184 3.736 -2.726 -3.396 + 959TIP3 OH2 9185 3.921 -2.698 -3.340 + 959TIP3 H1 9186 3.935 -2.792 -3.362 + 959TIP3 H2 9187 3.920 -2.702 -3.243 + 960TIP3 OH2 9188 4.259 -4.143 -3.401 + 960TIP3 H1 9189 4.179 -4.198 -3.389 + 960TIP3 H2 9190 4.292 -4.176 -3.485 + 961TIP3 OH2 9191 3.479 -4.284 -3.678 + 961TIP3 H1 9192 3.386 -4.298 -3.701 + 961TIP3 H2 9193 3.505 -4.369 -3.643 + 962TIP3 OH2 9194 3.340 -4.282 -4.068 + 962TIP3 H1 9195 3.391 -4.230 -4.134 + 962TIP3 H2 9196 3.305 -4.212 -4.011 + 963TIP3 OH2 9197 3.934 -4.257 -3.675 + 963TIP3 H1 9198 4.026 -4.223 -3.668 + 963TIP3 H2 9199 3.918 -4.289 -3.586 + 964TIP3 OH2 9200 3.379 -2.690 -3.997 + 964TIP3 H1 9201 3.289 -2.695 -4.032 + 964TIP3 H2 9202 3.367 -2.635 -3.919 + 965TIP3 OH2 9203 3.528 -4.125 -4.224 + 965TIP3 H1 9204 3.592 -4.163 -4.286 + 965TIP3 H2 9205 3.586 -4.062 -4.177 + 966TIP3 OH2 9206 4.051 -4.065 -3.985 + 966TIP3 H1 9207 4.065 -4.147 -3.934 + 966TIP3 H2 9208 4.065 -3.995 -3.918 + 967TIP3 OH2 9209 4.270 -2.544 -4.143 + 967TIP3 H1 9210 4.355 -2.504 -4.167 + 967TIP3 H2 9211 4.252 -2.600 -4.222 + 968TIP3 OH2 9212 3.440 -4.178 -2.729 + 968TIP3 H1 9213 3.396 -4.260 -2.701 + 968TIP3 H2 9214 3.529 -4.213 -2.745 + 969TIP3 OH2 9215 3.732 -4.279 -2.467 + 969TIP3 H1 9216 3.820 -4.303 -2.504 + 969TIP3 H2 9217 3.709 -4.359 -2.419 + 970TIP3 OH2 9218 3.573 -2.584 -4.228 + 970TIP3 H1 9219 3.520 -2.571 -4.148 + 970TIP3 H2 9220 3.627 -2.659 -4.204 + 971TIP3 OH2 9221 -3.162 -1.483 -3.631 + 971TIP3 H1 9222 -3.161 -1.387 -3.616 + 971TIP3 H2 9223 -3.240 -1.493 -3.687 + 972TIP3 OH2 9224 -3.265 -1.536 -3.318 + 972TIP3 H1 9225 -3.272 -1.594 -3.240 + 972TIP3 H2 9226 -3.298 -1.594 -3.388 + 973TIP3 OH2 9227 -4.024 -1.578 -3.158 + 973TIP3 H1 9228 -4.033 -1.651 -3.094 + 973TIP3 H2 9229 -3.964 -1.519 -3.112 + 974TIP3 OH2 9230 -2.905 -1.254 -3.480 + 974TIP3 H1 9231 -2.938 -1.326 -3.425 + 974TIP3 H2 9232 -2.879 -1.190 -3.412 + 975TIP3 OH2 9233 -3.956 -1.114 -3.304 + 975TIP3 H1 9234 -3.984 -1.206 -3.322 + 975TIP3 H2 9235 -3.868 -1.128 -3.265 + 976TIP3 OH2 9236 -4.202 -1.814 -3.845 + 976TIP3 H1 9237 -4.209 -1.729 -3.799 + 976TIP3 H2 9238 -4.290 -1.850 -3.826 + 977TIP3 OH2 9239 -4.198 -1.554 -3.615 + 977TIP3 H1 9240 -4.190 -1.600 -3.530 + 977TIP3 H2 9241 -4.122 -1.494 -3.613 + 978TIP3 OH2 9242 -3.202 -0.727 -3.435 + 978TIP3 H1 9243 -3.142 -0.800 -3.462 + 978TIP3 H2 9244 -3.231 -0.755 -3.347 + 979TIP3 OH2 9245 -3.421 -1.286 -3.264 + 979TIP3 H1 9246 -3.386 -1.357 -3.321 + 979TIP3 H2 9247 -3.342 -1.267 -3.211 + 980TIP3 OH2 9248 -2.563 -2.131 -3.201 + 980TIP3 H1 9249 -2.535 -2.073 -3.127 + 980TIP3 H2 9250 -2.498 -2.105 -3.269 + 981TIP3 OH2 9251 -3.100 -1.852 -3.214 + 981TIP3 H1 9252 -3.082 -1.948 -3.206 + 981TIP3 H2 9253 -3.104 -1.841 -3.310 + 982TIP3 OH2 9254 -3.793 -2.051 -3.507 + 982TIP3 H1 9255 -3.787 -1.963 -3.550 + 982TIP3 H2 9256 -3.838 -2.102 -3.577 + 983TIP3 OH2 9257 -3.014 -2.043 -3.678 + 983TIP3 H1 9258 -2.956 -2.077 -3.606 + 983TIP3 H2 9259 -2.950 -1.994 -3.730 + 984TIP3 OH2 9260 -4.137 -1.779 -3.451 + 984TIP3 H1 9261 -4.080 -1.820 -3.384 + 984TIP3 H2 9262 -4.121 -1.836 -3.527 + 985TIP3 OH2 9263 -3.587 -1.640 -3.513 + 985TIP3 H1 9264 -3.521 -1.697 -3.469 + 985TIP3 H2 9265 -3.644 -1.706 -3.556 + 986TIP3 OH2 9266 -2.486 -1.996 -2.952 + 986TIP3 H1 9267 -2.548 -1.926 -2.977 + 986TIP3 H2 9268 -2.507 -2.005 -2.858 + 987TIP3 OH2 9269 -3.918 -2.169 -3.088 + 987TIP3 H1 9270 -3.964 -2.122 -3.160 + 987TIP3 H2 9271 -3.981 -2.154 -3.014 + 988TIP3 OH2 9272 -3.169 -1.197 -3.750 + 988TIP3 H1 9273 -3.204 -1.217 -3.838 + 988TIP3 H2 9274 -3.213 -1.112 -3.730 + 989TIP3 OH2 9275 -3.629 -1.385 -3.081 + 989TIP3 H1 9276 -3.702 -1.327 -3.049 + 989TIP3 H2 9277 -3.569 -1.320 -3.120 + 990TIP3 OH2 9278 -2.837 -2.108 -3.469 + 990TIP3 H1 9279 -2.868 -2.170 -3.402 + 990TIP3 H2 9280 -2.778 -2.051 -3.417 + 991TIP3 OH2 9281 -3.957 -1.967 -3.296 + 991TIP3 H1 9282 -3.895 -1.908 -3.249 + 991TIP3 H2 9283 -3.897 -2.003 -3.365 + 992TIP3 OH2 9284 -3.833 -1.193 -3.012 + 992TIP3 H1 9285 -3.820 -1.096 -3.016 + 992TIP3 H2 9286 -3.886 -1.196 -2.931 + 993TIP3 OH2 9287 -4.188 -1.238 -3.915 + 993TIP3 H1 9288 -4.253 -1.213 -3.984 + 993TIP3 H2 9289 -4.205 -1.172 -3.846 + 994TIP3 OH2 9290 -2.849 -1.087 -3.206 + 994TIP3 H1 9291 -2.943 -1.068 -3.222 + 994TIP3 H2 9292 -2.808 -1.004 -3.236 + 995TIP3 OH2 9293 -2.820 -2.196 -3.087 + 995TIP3 H1 9294 -2.896 -2.154 -3.131 + 995TIP3 H2 9295 -2.746 -2.176 -3.147 + 996TIP3 OH2 9296 -3.565 -2.462 -3.440 + 996TIP3 H1 9297 -3.476 -2.427 -3.434 + 996TIP3 H2 9298 -3.615 -2.404 -3.383 + 997TIP3 OH2 9299 -3.020 -0.889 -3.581 + 997TIP3 H1 9300 -2.970 -0.966 -3.614 + 997TIP3 H2 9301 -2.953 -0.818 -3.592 + 998TIP3 OH2 9302 -2.874 -1.103 -3.721 + 998TIP3 H1 9303 -2.930 -1.149 -3.785 + 998TIP3 H2 9304 -2.879 -1.162 -3.644 + 999TIP3 OH2 9305 -3.291 -1.535 -3.904 + 999TIP3 H1 9306 -3.358 -1.470 -3.934 + 999TIP3 H2 9307 -3.220 -1.521 -3.968 + 1000TIP3 OH2 9308 -3.273 -1.708 -4.206 + 1000TIP3 H1 9309 -3.206 -1.673 -4.144 + 1000TIP3 H2 9310 -3.217 -1.769 -4.260 + 1001TIP3 OH2 9311 -2.559 -1.595 -3.079 + 1001TIP3 H1 9312 -2.623 -1.524 -3.066 + 1001TIP3 H2 9313 -2.508 -1.563 -3.156 + 1002TIP3 OH2 9314 -2.945 -1.532 -3.795 + 1002TIP3 H1 9315 -3.013 -1.509 -3.727 + 1002TIP3 H2 9316 -2.883 -1.585 -3.741 + 1003TIP3 OH2 9317 -2.957 -1.679 -2.908 + 1003TIP3 H1 9318 -2.968 -1.615 -2.836 + 1003TIP3 H2 9319 -3.024 -1.647 -2.971 + 1004TIP3 OH2 9320 -3.779 -1.449 -3.618 + 1004TIP3 H1 9321 -3.815 -1.493 -3.698 + 1004TIP3 H2 9322 -3.718 -1.517 -3.584 + 1005TIP3 OH2 9323 -3.643 -1.109 -3.345 + 1005TIP3 H1 9324 -3.657 -1.153 -3.430 + 1005TIP3 H2 9325 -3.566 -1.157 -3.310 + 1006TIP3 OH2 9326 -3.727 -1.573 -3.273 + 1006TIP3 H1 9327 -3.666 -1.564 -3.349 + 1006TIP3 H2 9328 -3.694 -1.505 -3.211 + 1007TIP3 OH2 9329 -3.119 -1.024 -3.210 + 1007TIP3 H1 9330 -3.138 -0.949 -3.151 + 1007TIP3 H2 9331 -3.155 -1.101 -3.162 + 1008TIP3 OH2 9332 -3.035 -1.584 -4.058 + 1008TIP3 H1 9333 -2.994 -1.557 -3.973 + 1008TIP3 H2 9334 -2.975 -1.541 -4.121 + 1009TIP3 OH2 9335 -3.956 -1.506 -2.870 + 1009TIP3 H1 9336 -3.947 -1.448 -2.791 + 1009TIP3 H2 9337 -4.054 -1.508 -2.877 + 1010TIP3 OH2 9338 -3.302 -0.924 -3.696 + 1010TIP3 H1 9339 -3.255 -0.896 -3.616 + 1010TIP3 H2 9340 -3.351 -0.844 -3.720 + 1011TIP3 OH2 9341 -2.696 -2.412 -4.077 + 1011TIP3 H1 9342 -2.784 -2.392 -4.040 + 1011TIP3 H2 9343 -2.666 -2.326 -4.107 + 1012TIP3 OH2 9344 -3.887 -1.580 -3.870 + 1012TIP3 H1 9345 -3.916 -1.499 -3.917 + 1012TIP3 H2 9346 -3.961 -1.640 -3.887 + 1013TIP3 OH2 9347 -2.590 -0.985 -4.251 + 1013TIP3 H1 9348 -2.559 -0.905 -4.206 + 1013TIP3 H2 9349 -2.515 -1.046 -4.241 + 1014TIP3 OH2 9350 -4.275 -1.298 -3.021 + 1014TIP3 H1 9351 -4.293 -1.340 -3.107 + 1014TIP3 H2 9352 -4.313 -1.361 -2.959 + 1015TIP3 OH2 9353 -4.275 -1.008 -3.316 + 1015TIP3 H1 9354 -4.198 -1.060 -3.291 + 1015TIP3 H2 9355 -4.307 -0.973 -3.232 + 1016TIP3 OH2 9356 -2.444 -0.957 -2.721 + 1016TIP3 H1 9357 -2.455 -1.053 -2.732 + 1016TIP3 H2 9358 -2.532 -0.930 -2.686 + 1017TIP3 OH2 9359 -3.385 -1.043 -2.837 + 1017TIP3 H1 9360 -3.362 -0.961 -2.790 + 1017TIP3 H2 9361 -3.476 -1.058 -2.806 + 1018TIP3 OH2 9362 -3.346 -0.654 -3.848 + 1018TIP3 H1 9363 -3.347 -0.641 -3.944 + 1018TIP3 H2 9364 -3.343 -0.563 -3.813 + 1019TIP3 OH2 9365 -3.978 -0.739 -3.677 + 1019TIP3 H1 9366 -3.954 -0.782 -3.592 + 1019TIP3 H2 9367 -4.054 -0.795 -3.700 + 1020TIP3 OH2 9368 -3.024 -0.693 -4.139 + 1020TIP3 H1 9369 -2.978 -0.751 -4.203 + 1020TIP3 H2 9370 -3.020 -0.746 -4.058 + 1021TIP3 OH2 9371 -3.075 -0.765 -3.863 + 1021TIP3 H1 9372 -3.168 -0.748 -3.841 + 1021TIP3 H2 9373 -3.053 -0.832 -3.796 + 1022TIP3 OH2 9374 -2.762 -1.816 -2.681 + 1022TIP3 H1 9375 -2.816 -1.783 -2.754 + 1022TIP3 H2 9376 -2.761 -1.912 -2.697 + 1023TIP3 OH2 9377 -4.115 -1.145 -2.834 + 1023TIP3 H1 9378 -4.040 -1.186 -2.788 + 1023TIP3 H2 9379 -4.150 -1.214 -2.894 + 1024TIP3 OH2 9380 -3.746 -2.300 -3.287 + 1024TIP3 H1 9381 -3.828 -2.317 -3.338 + 1024TIP3 H2 9382 -3.778 -2.234 -3.224 + 1025TIP3 OH2 9383 -3.335 -2.382 -2.885 + 1025TIP3 H1 9384 -3.269 -2.428 -2.871 + 1025TIP3 H2 9385 -3.319 -2.296 -2.817 + 1026TIP3 OH2 9386 -3.000 -1.973 -2.876 + 1026TIP3 H1 9387 -3.053 -1.990 -2.796 + 1026TIP3 H2 9388 -3.002 -1.876 -2.884 + 1027TIP3 OH2 9389 -2.814 -1.504 -4.252 + 1027TIP3 H1 9390 -2.861 -1.517 -4.336 + 1027TIP3 H2 9391 -2.783 -1.414 -4.265 + 1028TIP3 OH2 9392 -3.334 -2.123 -4.191 + 1028TIP3 H1 9393 -3.392 -2.103 -4.117 + 1028TIP3 H2 9394 -3.388 -2.182 -4.245 + 1029TIP3 OH2 9395 -3.760 -1.830 -3.147 + 1029TIP3 H1 9396 -3.821 -1.819 -3.072 + 1029TIP3 H2 9397 -3.757 -1.739 -3.183 + 1030TIP3 OH2 9398 -3.769 -1.821 -3.661 + 1030TIP3 H1 9399 -3.865 -1.829 -3.673 + 1030TIP3 H2 9400 -3.738 -1.837 -3.751 + 1031TIP3 OH2 9401 -3.221 -1.782 -3.797 + 1031TIP3 H1 9402 -3.253 -1.692 -3.821 + 1031TIP3 H2 9403 -3.144 -1.790 -3.856 + 1032TIP3 OH2 9404 -3.279 -1.751 -2.649 + 1032TIP3 H1 9405 -3.336 -1.820 -2.609 + 1032TIP3 H2 9406 -3.195 -1.765 -2.601 + 1033TIP3 OH2 9407 -3.122 -1.827 -3.507 + 1033TIP3 H1 9408 -3.153 -1.768 -3.579 + 1033TIP3 H2 9409 -3.102 -1.907 -3.559 + 1034TIP3 OH2 9410 -4.019 -1.816 -2.966 + 1034TIP3 H1 9411 -4.002 -1.773 -2.882 + 1034TIP3 H2 9412 -4.051 -1.903 -2.938 + 1035TIP3 OH2 9413 -3.652 -2.076 -4.308 + 1035TIP3 H1 9414 -3.699 -2.101 -4.228 + 1035TIP3 H2 9415 -3.720 -2.021 -4.352 + 1036TIP3 OH2 9416 -4.321 -2.046 -3.596 + 1036TIP3 H1 9417 -4.305 -2.076 -3.505 + 1036TIP3 H2 9418 -4.287 -2.120 -3.647 + 1037TIP3 OH2 9419 -4.207 -2.028 -4.043 + 1037TIP3 H1 9420 -4.148 -1.985 -4.107 + 1037TIP3 H2 9421 -4.275 -1.961 -4.032 + 1038TIP3 OH2 9422 -3.206 -1.657 -3.053 + 1038TIP3 H1 9423 -3.165 -1.730 -3.106 + 1038TIP3 H2 9424 -3.248 -1.708 -2.981 + 1039TIP3 OH2 9425 -3.504 -2.072 -3.572 + 1039TIP3 H1 9426 -3.595 -2.067 -3.535 + 1039TIP3 H2 9427 -3.451 -2.084 -3.492 + 1040TIP3 OH2 9428 -4.029 -1.945 -3.682 + 1040TIP3 H1 9429 -4.103 -1.915 -3.740 + 1040TIP3 H2 9430 -4.003 -2.028 -3.725 + 1041TIP3 OH2 9431 -3.669 -1.909 -3.930 + 1041TIP3 H1 9432 -3.575 -1.887 -3.924 + 1041TIP3 H2 9433 -3.702 -1.844 -3.996 + 1042TIP3 OH2 9434 -3.057 -2.150 -3.260 + 1042TIP3 H1 9435 -3.115 -2.151 -3.181 + 1042TIP3 H2 9436 -3.119 -2.179 -3.329 + 1043TIP3 OH2 9437 -3.809 -1.794 -4.156 + 1043TIP3 H1 9438 -3.876 -1.835 -4.213 + 1043TIP3 H2 9439 -3.741 -1.767 -4.219 + 1044TIP3 OH2 9440 -2.742 -0.582 -2.592 + 1044TIP3 H1 9441 -2.731 -0.524 -2.669 + 1044TIP3 H2 9442 -2.692 -0.533 -2.525 + 1045TIP3 OH2 9443 -3.966 -1.342 -2.639 + 1045TIP3 H1 9444 -3.895 -1.293 -2.593 + 1045TIP3 H2 9445 -4.042 -1.303 -2.593 + 1046TIP3 OH2 9446 -3.390 -1.811 -3.377 + 1046TIP3 H1 9447 -3.312 -1.851 -3.418 + 1046TIP3 H2 9448 -3.406 -1.869 -3.300 + 1047TIP3 OH2 9449 -3.868 -2.176 -3.751 + 1047TIP3 H1 9450 -3.926 -2.254 -3.750 + 1047TIP3 H2 9451 -3.810 -2.194 -3.826 + 1048TIP3 OH2 9452 -3.488 -1.961 -3.151 + 1048TIP3 H1 9453 -3.569 -1.906 -3.148 + 1048TIP3 H2 9454 -3.443 -1.936 -3.068 + 1049TIP3 OH2 9455 -3.472 -1.329 -3.959 + 1049TIP3 H1 9456 -3.552 -1.373 -3.995 + 1049TIP3 H2 9457 -3.496 -1.318 -3.864 + 1050TIP3 OH2 9458 -2.763 -1.383 -3.058 + 1050TIP3 H1 9459 -2.712 -1.329 -3.121 + 1050TIP3 H2 9460 -2.843 -1.402 -3.111 + 1051TIP3 OH2 9461 -3.070 -2.057 -4.172 + 1051TIP3 H1 9462 -3.166 -2.047 -4.183 + 1051TIP3 H2 9463 -3.043 -1.977 -4.123 + 1052TIP3 OH2 9464 -3.300 -1.326 -2.829 + 1052TIP3 H1 9465 -3.342 -1.359 -2.747 + 1052TIP3 H2 9466 -3.333 -1.234 -2.830 + 1053TIP3 OH2 9467 -3.002 -1.863 -3.988 + 1053TIP3 H1 9468 -2.915 -1.880 -3.945 + 1053TIP3 H2 9469 -2.988 -1.774 -4.027 + 1054TIP3 OH2 9470 -3.982 -1.398 -3.394 + 1054TIP3 H1 9471 -3.909 -1.399 -3.457 + 1054TIP3 H2 9472 -3.963 -1.475 -3.338 + 1055TIP3 OH2 9473 -3.234 -1.190 -4.069 + 1055TIP3 H1 9474 -3.262 -1.102 -4.038 + 1055TIP3 H2 9475 -3.311 -1.243 -4.042 + 1056TIP3 OH2 9476 -4.234 -1.543 -2.824 + 1056TIP3 H1 9477 -4.233 -1.605 -2.749 + 1056TIP3 H2 9478 -4.286 -1.592 -2.891 + 1057TIP3 OH2 9479 -3.543 -1.607 -2.649 + 1057TIP3 H1 9480 -3.578 -1.632 -2.737 + 1057TIP3 H2 9481 -3.448 -1.628 -2.660 + 1058TIP3 OH2 9482 -2.530 -1.850 -3.998 + 1058TIP3 H1 9483 -2.592 -1.870 -4.070 + 1058TIP3 H2 9484 -2.517 -1.756 -4.016 + 1059TIP3 OH2 9485 -2.514 -1.255 -2.746 + 1059TIP3 H1 9486 -2.604 -1.235 -2.776 + 1059TIP3 H2 9487 -2.468 -1.271 -2.831 + 1060TIP3 OH2 9488 -2.708 -0.997 -3.992 + 1060TIP3 H1 9489 -2.736 -1.072 -3.939 + 1060TIP3 H2 9490 -2.673 -1.038 -4.072 + 1061TIP3 OH2 9491 -2.984 -1.468 -3.242 + 1061TIP3 H1 9492 -3.076 -1.484 -3.273 + 1061TIP3 H2 9493 -2.936 -1.536 -3.294 + 1062TIP3 OH2 9494 -3.725 -1.058 -3.658 + 1062TIP3 H1 9495 -3.687 -0.969 -3.663 + 1062TIP3 H2 9496 -3.819 -1.039 -3.671 + 1063TIP3 OH2 9497 -4.158 -1.563 -4.191 + 1063TIP3 H1 9498 -4.083 -1.504 -4.167 + 1063TIP3 H2 9499 -4.232 -1.506 -4.170 + 1064TIP3 OH2 9500 -3.543 -1.287 -3.692 + 1064TIP3 H1 9501 -3.573 -1.196 -3.676 + 1064TIP3 H2 9502 -3.615 -1.337 -3.650 + 1065TIP3 OH2 9503 -3.522 -0.863 -3.057 + 1065TIP3 H1 9504 -3.468 -0.786 -3.080 + 1065TIP3 H2 9505 -3.467 -0.908 -2.991 + 1066TIP3 OH2 9506 -3.681 -0.766 -3.737 + 1066TIP3 H1 9507 -3.777 -0.754 -3.723 + 1066TIP3 H2 9508 -3.647 -0.679 -3.707 + 1067TIP3 OH2 9509 -3.156 -1.280 -3.070 + 1067TIP3 H1 9510 -3.207 -1.317 -2.995 + 1067TIP3 H2 9511 -3.106 -1.357 -3.103 + 1068TIP3 OH2 9512 -2.970 -1.162 -4.195 + 1068TIP3 H1 9513 -2.921 -1.204 -4.121 + 1068TIP3 H2 9514 -3.060 -1.167 -4.159 + 1069TIP3 OH2 9515 -2.908 -0.862 -2.880 + 1069TIP3 H1 9516 -2.986 -0.849 -2.939 + 1069TIP3 H2 9517 -2.859 -0.780 -2.904 + 1070TIP3 OH2 9518 -2.480 -0.712 -4.160 + 1070TIP3 H1 9519 -2.411 -0.644 -4.144 + 1070TIP3 H2 9520 -2.560 -0.661 -4.135 + 1071TIP3 OH2 9521 -4.100 -2.086 -2.888 + 1071TIP3 H1 9522 -4.186 -2.046 -2.910 + 1071TIP3 H2 9523 -4.123 -2.170 -2.845 + 1072TIP3 OH2 9524 -2.871 -1.299 -3.970 + 1072TIP3 H1 9525 -2.898 -1.368 -3.906 + 1072TIP3 H2 9526 -2.774 -1.300 -3.960 + 1073TIP3 OH2 9527 -4.122 -0.904 -3.032 + 1073TIP3 H1 9528 -4.111 -0.999 -3.045 + 1073TIP3 H2 9529 -4.080 -0.899 -2.945 + 1074TIP3 OH2 9530 -3.520 -1.054 -4.326 + 1074TIP3 H1 9531 -3.484 -1.140 -4.354 + 1074TIP3 H2 9532 -3.575 -1.081 -4.250 + 1075TIP3 OH2 9533 -3.663 -1.099 -4.077 + 1075TIP3 H1 9534 -3.616 -1.150 -4.010 + 1075TIP3 H2 9535 -3.646 -1.007 -4.049 + 1076TIP3 OH2 9536 -3.983 -1.363 -4.035 + 1076TIP3 H1 9537 -4.060 -1.323 -3.988 + 1076TIP3 H2 9538 -3.941 -1.282 -4.067 + 1077TIP3 OH2 9539 -3.205 -2.118 -3.037 + 1077TIP3 H1 9540 -3.149 -2.077 -2.970 + 1077TIP3 H2 9541 -3.263 -2.176 -2.986 + 1078TIP3 OH2 9542 -3.163 -2.175 -3.915 + 1078TIP3 H1 9543 -3.136 -2.126 -3.994 + 1078TIP3 H2 9544 -3.116 -2.127 -3.845 + 1079TIP3 OH2 9545 -3.368 -0.941 -4.029 + 1079TIP3 H1 9546 -3.446 -0.890 -4.001 + 1079TIP3 H2 9547 -3.317 -0.873 -4.073 + 1080TIP3 OH2 9548 -3.398 -2.015 -3.822 + 1080TIP3 H1 9549 -3.338 -1.937 -3.823 + 1080TIP3 H2 9550 -3.443 -2.002 -3.735 + 1081TIP3 OH2 9551 -3.361 -1.874 -2.901 + 1081TIP3 H1 9552 -3.365 -1.822 -2.819 + 1081TIP3 H2 9553 -3.313 -1.952 -2.869 + 1082TIP3 OH2 9554 -3.648 -0.822 -4.025 + 1082TIP3 H1 9555 -3.645 -0.736 -4.071 + 1082TIP3 H2 9556 -3.663 -0.794 -3.932 + 1083TIP3 OH2 9557 -3.761 -2.162 -4.054 + 1083TIP3 H1 9558 -3.757 -2.075 -4.011 + 1083TIP3 H2 9559 -3.670 -2.194 -4.049 + 1084TIP3 OH2 9560 -2.740 -2.070 -2.814 + 1084TIP3 H1 9561 -2.837 -2.061 -2.826 + 1084TIP3 H2 9562 -2.716 -2.096 -2.904 + 1085TIP3 OH2 9563 -2.889 -1.688 -3.409 + 1085TIP3 H1 9564 -2.972 -1.732 -3.435 + 1085TIP3 H2 9565 -2.841 -1.759 -3.361 + 1086TIP3 OH2 9566 -3.934 -1.060 -4.162 + 1086TIP3 H1 9567 -3.853 -1.038 -4.113 + 1086TIP3 H2 9568 -3.898 -1.120 -4.229 + 1087TIP3 OH2 9569 -4.099 -1.848 -4.260 + 1087TIP3 H1 9570 -4.105 -1.753 -4.239 + 1087TIP3 H2 9571 -4.189 -1.867 -4.291 + 1088TIP3 OH2 9572 -2.779 -0.805 -3.261 + 1088TIP3 H1 9573 -2.807 -0.729 -3.316 + 1088TIP3 H2 9574 -2.686 -0.781 -3.247 + 1089TIP3 OH2 9575 -4.023 -2.364 -3.374 + 1089TIP3 H1 9576 -4.060 -2.362 -3.465 + 1089TIP3 H2 9577 -4.069 -2.441 -3.335 + 1090TIP3 OH2 9578 -4.132 -0.984 -3.741 + 1090TIP3 H1 9579 -4.228 -0.966 -3.736 + 1090TIP3 H2 9580 -4.109 -0.957 -3.831 + 1091TIP3 OH2 9581 -4.213 -0.711 -2.635 + 1091TIP3 H1 9582 -4.146 -0.704 -2.563 + 1091TIP3 H2 9583 -4.215 -0.808 -2.642 + 1092TIP3 OH2 9584 -3.704 -0.792 -2.461 + 1092TIP3 H1 9585 -3.655 -0.866 -2.424 + 1092TIP3 H2 9586 -3.744 -0.836 -2.538 + 1093TIP3 OH2 9587 -3.305 -0.870 -4.333 + 1093TIP3 H1 9588 -3.386 -0.925 -4.326 + 1093TIP3 H2 9589 -3.240 -0.939 -4.352 + 1094TIP3 OH2 9590 -3.044 -1.018 -2.631 + 1094TIP3 H1 9591 -3.117 -1.067 -2.588 + 1094TIP3 H2 9592 -3.013 -0.965 -2.555 + 1095TIP3 OH2 9593 -2.918 -0.900 -4.289 + 1095TIP3 H1 9594 -2.893 -0.981 -4.242 + 1095TIP3 H2 9595 -2.833 -0.861 -4.315 + 1096TIP3 OH2 9596 -4.216 -1.322 -2.548 + 1096TIP3 H1 9597 -4.182 -1.394 -2.604 + 1096TIP3 H2 9598 -4.276 -1.275 -2.607 + 1097TIP3 OH2 9599 -3.775 -1.296 -4.307 + 1097TIP3 H1 9600 -3.754 -1.359 -4.236 + 1097TIP3 H2 9601 -3.703 -1.306 -4.370 + 1098TIP3 OH2 9602 -3.526 -1.317 -2.614 + 1098TIP3 H1 9603 -3.598 -1.292 -2.673 + 1098TIP3 H2 9604 -3.534 -1.414 -2.607 + 1099TIP3 OH2 9605 -3.245 -1.190 -4.348 + 1099TIP3 H1 9606 -3.231 -1.177 -4.252 + 1099TIP3 H2 9607 -3.180 -1.258 -4.370 + 1100TIP3 OH2 9608 -4.139 -1.661 -2.583 + 1100TIP3 H1 9609 -4.052 -1.704 -2.595 + 1100TIP3 H2 9610 -4.122 -1.607 -2.505 + 1101TIP3 OH2 9611 -3.674 -1.498 -4.091 + 1101TIP3 H1 9612 -3.737 -1.540 -4.030 + 1101TIP3 H2 9613 -3.641 -1.573 -4.143 + 1102TIP3 OH2 9614 -3.747 -1.723 -2.853 + 1102TIP3 H1 9615 -3.806 -1.647 -2.835 + 1102TIP3 H2 9616 -3.686 -1.685 -2.918 + 1103TIP3 OH2 9617 -3.553 -1.695 -4.270 + 1103TIP3 H1 9618 -3.556 -1.708 -4.365 + 1103TIP3 H2 9619 -3.457 -1.691 -4.253 + 1104TIP3 OH2 9620 -3.228 -1.456 -2.502 + 1104TIP3 H1 9621 -3.137 -1.473 -2.531 + 1104TIP3 H2 9622 -3.247 -1.536 -2.450 + 1105TIP3 OH2 9623 -3.690 -1.994 -2.741 + 1105TIP3 H1 9624 -3.684 -2.059 -2.812 + 1105TIP3 H2 9625 -3.712 -1.913 -2.789 + 1106TIP3 OH2 9626 -3.656 -2.146 -2.997 + 1106TIP3 H1 9627 -3.608 -2.093 -3.063 + 1106TIP3 H2 9628 -3.748 -2.144 -3.031 + 1107TIP3 OH2 9629 -3.501 -1.601 -2.957 + 1107TIP3 H1 9630 -3.418 -1.607 -3.006 + 1107TIP3 H2 9631 -3.536 -1.515 -2.988 + 1108TIP3 OH2 9632 -3.042 -1.826 -2.485 + 1108TIP3 H1 9633 -3.028 -1.918 -2.459 + 1108TIP3 H2 9634 -2.958 -1.786 -2.456 + 1109TIP3 OH2 9635 -2.957 -1.512 -2.657 + 1109TIP3 H1 9636 -2.974 -1.435 -2.712 + 1109TIP3 H2 9637 -2.862 -1.529 -2.675 + 1110TIP3 OH2 9638 -3.881 -1.805 -2.565 + 1110TIP3 H1 9639 -3.930 -1.889 -2.566 + 1110TIP3 H2 9640 -3.797 -1.829 -2.606 + 1111TIP3 OH2 9641 -3.604 -2.420 -2.962 + 1111TIP3 H1 9642 -3.608 -2.325 -2.976 + 1111TIP3 H2 9643 -3.671 -2.457 -3.024 + 1112TIP3 OH2 9644 -3.456 -1.956 -2.584 + 1112TIP3 H1 9645 -3.486 -1.978 -2.494 + 1112TIP3 H2 9646 -3.538 -1.976 -2.634 + 1113TIP3 OH2 9647 -3.202 -2.064 -2.693 + 1113TIP3 H1 9648 -3.289 -2.049 -2.652 + 1113TIP3 H2 9649 -3.154 -2.105 -2.618 + 1114TIP3 OH2 9650 -3.030 -2.165 -2.463 + 1114TIP3 H1 9651 -3.041 -2.262 -2.469 + 1114TIP3 H2 9652 -3.066 -2.146 -2.375 + 1115TIP3 OH2 9653 -4.017 -2.059 -2.579 + 1115TIP3 H1 9654 -4.016 -2.132 -2.643 + 1115TIP3 H2 9655 -4.032 -2.105 -2.495 + 1116TIP3 OH2 9656 -3.601 -2.463 -2.677 + 1116TIP3 H1 9657 -3.541 -2.539 -2.673 + 1116TIP3 H2 9658 -3.600 -2.446 -2.774 + 1117TIP3 OH2 9659 -3.500 -2.276 -2.491 + 1117TIP3 H1 9660 -3.533 -2.335 -2.561 + 1117TIP3 H2 9661 -3.570 -2.208 -2.486 + 1118TIP3 OH2 9662 -3.594 -0.573 -4.172 + 1118TIP3 H1 9663 -3.499 -0.560 -4.160 + 1118TIP3 H2 9664 -3.616 -0.512 -4.245 + 1119TIP3 OH2 9665 -4.187 -1.161 -4.193 + 1119TIP3 H1 9666 -4.105 -1.109 -4.179 + 1119TIP3 H2 9667 -4.189 -1.173 -4.288 + 1120TIP3 OH2 9668 -4.272 -0.801 -3.522 + 1120TIP3 H1 9669 -4.275 -0.893 -3.488 + 1120TIP3 H2 9670 -4.245 -0.755 -3.441 + 1121TIP3 OH2 9671 -2.513 -0.693 -3.223 + 1121TIP3 H1 9672 -2.506 -0.688 -3.126 + 1121TIP3 H2 9673 -2.429 -0.654 -3.250 + 1122TIP3 OH2 9674 -2.549 -0.764 -2.942 + 1122TIP3 H1 9675 -2.595 -0.843 -2.973 + 1122TIP3 H2 9676 -2.487 -0.801 -2.878 + 1123TIP3 OH2 9677 -2.743 -1.186 -2.521 + 1123TIP3 H1 9678 -2.820 -1.191 -2.461 + 1123TIP3 H2 9679 -2.686 -1.121 -2.475 + 1124TIP3 OH2 9680 -2.586 -1.316 -3.930 + 1124TIP3 H1 9681 -2.497 -1.280 -3.917 + 1124TIP3 H2 9682 -2.590 -1.379 -3.856 + 1125TIP3 OH2 9683 -2.541 -1.515 -3.732 + 1125TIP3 H1 9684 -2.607 -1.571 -3.687 + 1125TIP3 H2 9685 -2.472 -1.502 -3.664 + 1126TIP3 OH2 9686 -2.566 -1.265 -3.235 + 1126TIP3 H1 9687 -2.505 -1.314 -3.291 + 1126TIP3 H2 9688 -2.553 -1.174 -3.267 + 1127TIP3 OH2 9689 -2.514 -1.549 -4.107 + 1127TIP3 H1 9690 -2.574 -1.517 -4.176 + 1127TIP3 H2 9691 -2.530 -1.482 -4.038 + 1128TIP3 OH2 9692 -2.694 -1.810 -4.216 + 1128TIP3 H1 9693 -2.660 -1.731 -4.261 + 1128TIP3 H2 9694 -2.642 -1.880 -4.257 + 1129TIP3 OH2 9695 -2.750 -1.700 -3.651 + 1129TIP3 H1 9696 -2.754 -1.796 -3.664 + 1129TIP3 H2 9697 -2.785 -1.691 -3.560 + 1130TIP3 OH2 9698 -4.257 -1.451 -3.256 + 1130TIP3 H1 9699 -4.220 -1.426 -3.342 + 1130TIP3 H2 9700 -4.178 -1.493 -3.214 + 1131TIP3 OH2 9701 -2.689 -1.499 -2.734 + 1131TIP3 H1 9702 -2.628 -1.575 -2.721 + 1131TIP3 H2 9703 -2.626 -1.429 -2.751 + 1132TIP3 OH2 9704 -2.529 -1.693 -2.627 + 1132TIP3 H1 9705 -2.607 -1.751 -2.644 + 1132TIP3 H2 9706 -2.458 -1.759 -2.620 + 1133TIP3 OH2 9707 -2.766 -2.145 -4.336 + 1133TIP3 H1 9708 -2.699 -2.149 -4.265 + 1133TIP3 H2 9709 -2.850 -2.161 -4.292 + 1134TIP3 OH2 9710 -2.768 -1.947 -3.838 + 1134TIP3 H1 9711 -2.739 -2.040 -3.828 + 1134TIP3 H2 9712 -2.686 -1.907 -3.872 + 1135TIP3 OH2 9713 -2.737 -1.887 -3.289 + 1135TIP3 H1 9714 -2.640 -1.878 -3.291 + 1135TIP3 H2 9715 -2.751 -1.886 -3.193 + 1136TIP3 OH2 9716 -2.720 -1.820 -3.010 + 1136TIP3 H1 9717 -2.805 -1.782 -2.980 + 1136TIP3 H2 9718 -2.668 -1.740 -3.030 + 1137TIP3 OH2 9719 -4.285 -1.959 -2.650 + 1137TIP3 H1 9720 -4.195 -1.995 -2.642 + 1137TIP3 H2 9721 -4.342 -2.033 -2.624 + 1138TIP3 OH2 9722 -2.464 -2.403 -2.479 + 1138TIP3 H1 9723 -2.424 -2.473 -2.533 + 1138TIP3 H2 9724 -2.459 -2.326 -2.538 + 1139TIP3 OH2 9725 -2.715 -2.219 -3.829 + 1139TIP3 H1 9726 -2.692 -2.260 -3.743 + 1139TIP3 H2 9727 -2.787 -2.277 -3.859 + 1140TIP3 OH2 9728 -4.194 -2.099 -3.333 + 1140TIP3 H1 9729 -4.161 -2.190 -3.330 + 1140TIP3 H2 9730 -4.116 -2.046 -3.311 + 1141TIP3 OH2 9731 -4.332 -1.840 -3.244 + 1141TIP3 H1 9732 -4.293 -1.886 -3.320 + 1141TIP3 H2 9733 -4.329 -1.747 -3.273 + 1142TIP3 OH2 9734 -2.516 -2.201 -2.663 + 1142TIP3 H1 9735 -2.603 -2.164 -2.637 + 1142TIP3 H2 9736 -2.541 -2.256 -2.739 + 1143TIP3 OH2 9737 -2.513 -2.181 -4.180 + 1143TIP3 H1 9738 -2.485 -2.257 -4.232 + 1143TIP3 H2 9739 -2.428 -2.135 -4.169 + 1144TIP3 OH2 9740 -4.316 -2.226 -3.895 + 1144TIP3 H1 9741 -4.401 -2.199 -3.931 + 1144TIP3 H2 9742 -4.258 -2.158 -3.936 + 1145TIP3 OH2 9743 -2.830 -0.687 -3.643 + 1145TIP3 H1 9744 -2.776 -0.709 -3.720 + 1145TIP3 H2 9745 -2.766 -0.642 -3.585 + 1146TIP3 OH2 9746 -4.292 -2.332 -3.059 + 1146TIP3 H1 9747 -4.359 -2.339 -2.987 + 1146TIP3 H2 9748 -4.336 -2.280 -3.128 + 1147TIP3 OH2 9749 -3.808 -0.910 -3.021 + 1147TIP3 H1 9750 -3.830 -0.817 -3.040 + 1147TIP3 H2 9751 -3.713 -0.902 -3.003 + 1148TIP3 OH2 9752 -3.345 -0.788 -2.703 + 1148TIP3 H1 9753 -3.344 -0.797 -2.606 + 1148TIP3 H2 9754 -3.266 -0.734 -2.720 + 1149TIP3 OH2 9755 -3.116 -0.642 -2.779 + 1149TIP3 H1 9756 -3.049 -0.710 -2.789 + 1149TIP3 H2 9757 -3.090 -0.602 -2.694 + 1150TIP3 OH2 9758 -2.639 -2.376 -2.858 + 1150TIP3 H1 9759 -2.721 -2.359 -2.907 + 1150TIP3 H2 9760 -2.617 -2.467 -2.889 + 1151TIP3 OH2 9761 -4.076 -0.560 -2.935 + 1151TIP3 H1 9762 -4.137 -0.554 -3.010 + 1151TIP3 H2 9763 -4.105 -0.640 -2.889 + 1152TIP3 OH2 9764 -3.819 -0.635 -3.111 + 1152TIP3 H1 9765 -3.901 -0.612 -3.065 + 1152TIP3 H2 9766 -3.815 -0.569 -3.183 + 1153TIP3 OH2 9767 -3.338 -0.640 -3.156 + 1153TIP3 H1 9768 -3.379 -0.593 -3.231 + 1153TIP3 H2 9769 -3.332 -0.567 -3.091 + 1154TIP3 OH2 9770 -3.107 -0.772 -3.062 + 1154TIP3 H1 9771 -3.192 -0.734 -3.093 + 1154TIP3 H2 9772 -3.052 -0.692 -3.062 + 1155TIP3 OH2 9773 -2.854 -0.598 -3.043 + 1155TIP3 H1 9774 -2.858 -0.501 -3.058 + 1155TIP3 H2 9775 -2.827 -0.627 -3.131 + 1156TIP3 OH2 9776 -4.116 -0.726 -3.267 + 1156TIP3 H1 9777 -4.132 -0.783 -3.188 + 1156TIP3 H2 9778 -4.049 -0.780 -3.314 + 1157TIP3 OH2 9779 -3.909 -0.862 -3.426 + 1157TIP3 H1 9780 -3.927 -0.953 -3.394 + 1157TIP3 H2 9781 -3.821 -0.846 -3.387 + 1158TIP3 OH2 9782 -3.627 -0.816 -3.339 + 1158TIP3 H1 9783 -3.615 -0.910 -3.360 + 1158TIP3 H2 9784 -3.625 -0.820 -3.242 + 1159TIP3 OH2 9785 -3.295 -2.226 -3.439 + 1159TIP3 H1 9786 -3.351 -2.291 -3.394 + 1159TIP3 H2 9787 -3.219 -2.280 -3.468 + 1160TIP3 OH2 9788 -2.802 -2.421 -3.362 + 1160TIP3 H1 9789 -2.722 -2.386 -3.404 + 1160TIP3 H2 9790 -2.874 -2.381 -3.413 + 1161TIP3 OH2 9791 -2.596 -2.305 -3.577 + 1161TIP3 H1 9792 -2.527 -2.357 -3.621 + 1161TIP3 H2 9793 -2.554 -2.217 -3.570 + 1162TIP3 OH2 9794 -4.101 -2.368 -3.661 + 1162TIP3 H1 9795 -4.180 -2.394 -3.710 + 1162TIP3 H2 9796 -4.047 -2.449 -3.665 + 1163TIP3 OH2 9797 -4.177 -2.400 -4.081 + 1163TIP3 H1 9798 -4.134 -2.330 -4.134 + 1163TIP3 H2 9799 -4.230 -2.346 -4.019 + 1164TIP3 OH2 9800 -3.047 -2.368 -3.520 + 1164TIP3 H1 9801 -3.042 -2.368 -3.618 + 1164TIP3 H2 9802 -3.074 -2.458 -3.498 + 1165TIP3 OH2 9803 -2.943 -2.365 -3.925 + 1165TIP3 H1 9804 -3.023 -2.313 -3.945 + 1165TIP3 H2 9805 -2.974 -2.456 -3.933 + 1166TIP3 OH2 9806 -4.178 -0.804 -3.992 + 1166TIP3 H1 9807 -4.266 -0.825 -4.027 + 1166TIP3 H2 9808 -4.186 -0.711 -3.971 + 1167TIP3 OH2 9809 -4.001 -2.219 -4.233 + 1167TIP3 H1 9810 -3.950 -2.290 -4.274 + 1167TIP3 H2 9811 -3.939 -2.184 -4.167 + 1168TIP3 OH2 9812 -3.298 -0.646 -4.146 + 1168TIP3 H1 9813 -3.200 -0.634 -4.150 + 1168TIP3 H2 9814 -3.308 -0.708 -4.221 + 1169TIP3 OH2 9815 -2.633 -0.727 -3.885 + 1169TIP3 H1 9816 -2.666 -0.810 -3.927 + 1169TIP3 H2 9817 -2.658 -0.660 -3.952 + 1170TIP3 OH2 9818 -4.079 -2.330 -2.703 + 1170TIP3 H1 9819 -4.124 -2.405 -2.662 + 1170TIP3 H2 9820 -3.988 -2.345 -2.672 + 1171TIP3 OH2 9821 -3.845 -2.392 -2.527 + 1171TIP3 H1 9822 -3.762 -2.426 -2.566 + 1171TIP3 H2 9823 -3.878 -2.472 -2.482 + 1172TIP3 OH2 9824 -3.980 -0.703 -4.245 + 1172TIP3 H1 9825 -4.020 -0.679 -4.160 + 1172TIP3 H2 9826 -3.918 -0.772 -4.220 + 1173TIP3 OH2 9827 -3.031 -2.460 -2.509 + 1173TIP3 H1 9828 -3.029 -2.507 -2.423 + 1173TIP3 H2 9829 -2.937 -2.464 -2.535 + 1174TIP3 OH2 9830 -2.693 -0.849 -2.649 + 1174TIP3 H1 9831 -2.778 -0.859 -2.692 + 1174TIP3 H2 9832 -2.699 -0.755 -2.619 + 1175TIP3 OH2 9833 -1.274 -1.482 -3.628 + 1175TIP3 H1 9834 -1.276 -1.386 -3.614 + 1175TIP3 H2 9835 -1.352 -1.495 -3.684 + 1176TIP3 OH2 9836 -1.390 -1.537 -3.320 + 1176TIP3 H1 9837 -1.390 -1.592 -3.240 + 1176TIP3 H2 9838 -1.417 -1.600 -3.388 + 1177TIP3 OH2 9839 -2.142 -1.578 -3.152 + 1177TIP3 H1 9840 -2.143 -1.654 -3.091 + 1177TIP3 H2 9841 -2.071 -1.525 -3.114 + 1178TIP3 OH2 9842 -1.022 -1.262 -3.488 + 1178TIP3 H1 9843 -1.058 -1.334 -3.435 + 1178TIP3 H2 9844 -0.993 -1.201 -3.419 + 1179TIP3 OH2 9845 -2.077 -1.114 -3.305 + 1179TIP3 H1 9846 -2.100 -1.206 -3.329 + 1179TIP3 H2 9847 -1.984 -1.126 -3.279 + 1180TIP3 OH2 9848 -2.376 -1.774 -3.763 + 1180TIP3 H1 9849 -2.417 -1.686 -3.753 + 1180TIP3 H2 9850 -2.446 -1.823 -3.808 + 1181TIP3 OH2 9851 -2.297 -1.529 -3.579 + 1181TIP3 H1 9852 -2.282 -1.612 -3.530 + 1181TIP3 H2 9853 -2.212 -1.518 -3.625 + 1182TIP3 OH2 9854 -1.315 -0.726 -3.432 + 1182TIP3 H1 9855 -1.257 -0.799 -3.463 + 1182TIP3 H2 9856 -1.343 -0.758 -3.345 + 1183TIP3 OH2 9857 -1.541 -1.286 -3.264 + 1183TIP3 H1 9858 -1.508 -1.359 -3.319 + 1183TIP3 H2 9859 -1.460 -1.270 -3.211 + 1184TIP3 OH2 9860 -0.674 -2.135 -3.199 + 1184TIP3 H1 9861 -0.650 -2.073 -3.128 + 1184TIP3 H2 9862 -0.613 -2.105 -3.270 + 1185TIP3 OH2 9863 -1.210 -1.852 -3.213 + 1185TIP3 H1 9864 -1.197 -1.948 -3.206 + 1185TIP3 H2 9865 -1.220 -1.841 -3.309 + 1186TIP3 OH2 9866 -1.914 -2.052 -3.505 + 1186TIP3 H1 9867 -1.899 -1.967 -3.550 + 1186TIP3 H2 9868 -1.949 -2.105 -3.579 + 1187TIP3 OH2 9869 -1.130 -2.036 -3.674 + 1187TIP3 H1 9870 -1.073 -2.080 -3.608 + 1187TIP3 H2 9871 -1.064 -1.992 -3.730 + 1188TIP3 OH2 9872 -2.244 -1.778 -3.454 + 1188TIP3 H1 9873 -2.181 -1.826 -3.397 + 1188TIP3 H2 9874 -2.236 -1.828 -3.537 + 1189TIP3 OH2 9875 -1.706 -1.640 -3.509 + 1189TIP3 H1 9876 -1.636 -1.694 -3.469 + 1189TIP3 H2 9877 -1.757 -1.707 -3.559 + 1190TIP3 OH2 9878 -0.601 -1.997 -2.951 + 1190TIP3 H1 9879 -0.660 -1.925 -2.980 + 1190TIP3 H2 9880 -0.620 -1.998 -2.856 + 1191TIP3 OH2 9881 -2.033 -2.172 -3.089 + 1191TIP3 H1 9882 -2.075 -2.122 -3.161 + 1191TIP3 H2 9883 -2.098 -2.161 -3.018 + 1192TIP3 OH2 9884 -1.281 -1.194 -3.752 + 1192TIP3 H1 9885 -1.320 -1.221 -3.835 + 1192TIP3 H2 9886 -1.329 -1.111 -3.732 + 1193TIP3 OH2 9887 -1.740 -1.384 -3.077 + 1193TIP3 H1 9888 -1.814 -1.325 -3.051 + 1193TIP3 H2 9889 -1.678 -1.322 -3.119 + 1194TIP3 OH2 9890 -0.945 -2.110 -3.470 + 1194TIP3 H1 9891 -0.987 -2.169 -3.405 + 1194TIP3 H2 9892 -0.894 -2.050 -3.413 + 1195TIP3 OH2 9893 -2.074 -1.967 -3.296 + 1195TIP3 H1 9894 -2.009 -1.911 -3.248 + 1195TIP3 H2 9895 -2.016 -2.004 -3.365 + 1196TIP3 OH2 9896 -1.943 -1.197 -3.006 + 1196TIP3 H1 9897 -1.945 -1.104 -3.033 + 1196TIP3 H2 9898 -2.028 -1.204 -2.959 + 1197TIP3 OH2 9899 -2.312 -1.226 -3.919 + 1197TIP3 H1 9900 -2.330 -1.182 -4.003 + 1197TIP3 H2 9901 -2.295 -1.152 -3.857 + 1198TIP3 OH2 9902 -0.966 -1.083 -3.240 + 1198TIP3 H1 9903 -1.063 -1.070 -3.236 + 1198TIP3 H2 9904 -0.938 -0.996 -3.275 + 1199TIP3 OH2 9905 -0.933 -2.195 -3.085 + 1199TIP3 H1 9906 -1.010 -2.156 -3.130 + 1199TIP3 H2 9907 -0.860 -2.176 -3.148 + 1200TIP3 OH2 9908 -1.619 -2.423 -3.380 + 1200TIP3 H1 9909 -1.642 -2.518 -3.385 + 1200TIP3 H2 9910 -1.702 -2.385 -3.343 + 1201TIP3 OH2 9911 -1.136 -0.887 -3.583 + 1201TIP3 H1 9912 -1.088 -0.967 -3.612 + 1201TIP3 H2 9913 -1.067 -0.819 -3.592 + 1202TIP3 OH2 9914 -0.989 -1.101 -3.722 + 1202TIP3 H1 9915 -1.044 -1.148 -3.786 + 1202TIP3 H2 9916 -0.994 -1.163 -3.646 + 1203TIP3 OH2 9917 -0.835 -1.219 -2.870 + 1203TIP3 H1 9918 -0.846 -1.284 -2.943 + 1203TIP3 H2 9919 -0.824 -1.136 -2.920 + 1204TIP3 OH2 9920 -1.406 -1.531 -3.905 + 1204TIP3 H1 9921 -1.473 -1.470 -3.940 + 1204TIP3 H2 9922 -1.334 -1.523 -3.970 + 1205TIP3 OH2 9923 -1.389 -1.706 -4.207 + 1205TIP3 H1 9924 -1.321 -1.676 -4.144 + 1205TIP3 H2 9925 -1.335 -1.767 -4.262 + 1206TIP3 OH2 9926 -0.660 -1.602 -3.076 + 1206TIP3 H1 9927 -0.732 -1.537 -3.068 + 1206TIP3 H2 9928 -0.612 -1.567 -3.154 + 1207TIP3 OH2 9929 -1.058 -1.529 -3.795 + 1207TIP3 H1 9930 -1.127 -1.509 -3.727 + 1207TIP3 H2 9931 -0.999 -1.586 -3.742 + 1208TIP3 OH2 9932 -1.075 -1.675 -2.909 + 1208TIP3 H1 9933 -1.069 -1.593 -2.858 + 1208TIP3 H2 9934 -1.140 -1.646 -2.976 + 1209TIP3 OH2 9935 -1.899 -1.452 -3.616 + 1209TIP3 H1 9936 -1.929 -1.496 -3.698 + 1209TIP3 H2 9937 -1.834 -1.516 -3.582 + 1210TIP3 OH2 9938 -1.762 -1.110 -3.343 + 1210TIP3 H1 9939 -1.773 -1.152 -3.429 + 1210TIP3 H2 9940 -1.683 -1.157 -3.308 + 1211TIP3 OH2 9941 -1.841 -1.570 -3.267 + 1211TIP3 H1 9942 -1.782 -1.567 -3.345 + 1211TIP3 H2 9943 -1.800 -1.504 -3.208 + 1212TIP3 OH2 9944 -1.245 -1.020 -3.210 + 1212TIP3 H1 9945 -1.244 -0.952 -3.139 + 1212TIP3 H2 9946 -1.268 -1.101 -3.162 + 1213TIP3 OH2 9947 -1.756 -1.139 -2.784 + 1213TIP3 H1 9948 -1.806 -1.073 -2.733 + 1213TIP3 H2 9949 -1.821 -1.165 -2.852 + 1214TIP3 OH2 9950 -1.151 -1.582 -4.057 + 1214TIP3 H1 9951 -1.109 -1.557 -3.972 + 1214TIP3 H2 9952 -1.089 -1.541 -4.121 + 1215TIP3 OH2 9953 -2.063 -1.496 -2.873 + 1215TIP3 H1 9954 -2.058 -1.442 -2.792 + 1215TIP3 H2 9955 -2.159 -1.514 -2.878 + 1216TIP3 OH2 9956 -1.418 -0.923 -3.696 + 1216TIP3 H1 9957 -1.368 -0.898 -3.617 + 1216TIP3 H2 9958 -1.465 -0.842 -3.718 + 1217TIP3 OH2 9959 -1.945 -0.922 -2.702 + 1217TIP3 H1 9960 -1.958 -0.917 -2.798 + 1217TIP3 H2 9961 -2.033 -0.947 -2.669 + 1218TIP3 OH2 9962 -0.811 -2.416 -4.057 + 1218TIP3 H1 9963 -0.908 -2.408 -4.047 + 1218TIP3 H2 9964 -0.790 -2.336 -4.107 + 1219TIP3 OH2 9965 -2.006 -1.577 -3.862 + 1219TIP3 H1 9966 -2.030 -1.502 -3.920 + 1219TIP3 H2 9967 -2.072 -1.643 -3.888 + 1220TIP3 OH2 9968 -0.701 -0.982 -4.256 + 1220TIP3 H1 9969 -0.672 -0.906 -4.203 + 1220TIP3 H2 9970 -0.630 -1.048 -4.239 + 1221TIP3 OH2 9971 -2.405 -1.311 -2.991 + 1221TIP3 H1 9972 -2.442 -1.314 -3.081 + 1221TIP3 H2 9973 -2.385 -1.406 -2.974 + 1222TIP3 OH2 9974 -2.395 -1.019 -3.295 + 1222TIP3 H1 9975 -2.302 -1.047 -3.293 + 1222TIP3 H2 9976 -2.396 -0.952 -3.224 + 1223TIP3 OH2 9977 -0.557 -0.955 -2.721 + 1223TIP3 H1 9978 -0.567 -1.050 -2.739 + 1223TIP3 H2 9979 -0.648 -0.932 -2.691 + 1224TIP3 OH2 9980 -1.492 -1.033 -2.841 + 1224TIP3 H1 9981 -1.484 -0.952 -2.787 + 1224TIP3 H2 9982 -1.582 -1.064 -2.816 + 1225TIP3 OH2 9983 -1.461 -0.654 -3.847 + 1225TIP3 H1 9984 -1.462 -0.642 -3.944 + 1225TIP3 H2 9985 -1.457 -0.562 -3.814 + 1226TIP3 OH2 9986 -2.083 -0.741 -3.681 + 1226TIP3 H1 9987 -2.066 -0.783 -3.594 + 1226TIP3 H2 9988 -2.170 -0.779 -3.702 + 1227TIP3 OH2 9989 -1.138 -0.691 -4.133 + 1227TIP3 H1 9990 -1.094 -0.752 -4.196 + 1227TIP3 H2 9991 -1.138 -0.744 -4.051 + 1228TIP3 OH2 9992 -1.190 -0.766 -3.862 + 1228TIP3 H1 9993 -1.283 -0.749 -3.840 + 1228TIP3 H2 9994 -1.168 -0.834 -3.796 + 1229TIP3 OH2 9995 -0.878 -1.821 -2.677 + 1229TIP3 H1 9996 -0.930 -1.781 -2.749 + 1229TIP3 H2 9997 -0.874 -1.914 -2.706 + 1230TIP3 OH2 9998 -2.184 -1.155 -2.863 + 1230TIP3 H1 9999 -2.154 -1.202 -2.782 + 1230TIP3 H210000 -2.254 -1.214 -2.898 + 1231TIP3 OH210001 -1.862 -2.308 -3.289 + 1231TIP3 H110002 -1.944 -2.315 -3.341 + 1231TIP3 H210003 -1.886 -2.236 -3.229 + 1232TIP3 OH210004 -1.425 -2.351 -2.925 + 1232TIP3 H110005 -1.373 -2.403 -2.861 + 1232TIP3 H210006 -1.516 -2.384 -2.912 + 1233TIP3 OH210007 -1.108 -1.971 -2.872 + 1233TIP3 H110008 -1.170 -1.987 -2.798 + 1233TIP3 H210009 -1.116 -1.875 -2.887 + 1234TIP3 OH210010 -0.929 -1.503 -4.250 + 1234TIP3 H110011 -0.976 -1.520 -4.333 + 1234TIP3 H210012 -0.896 -1.414 -4.268 + 1235TIP3 OH210013 -1.442 -2.112 -4.216 + 1235TIP3 H110014 -1.497 -2.109 -4.137 + 1235TIP3 H210015 -1.488 -2.181 -4.266 + 1236TIP3 OH210016 -1.877 -1.830 -3.150 + 1236TIP3 H110017 -1.931 -1.818 -3.070 + 1236TIP3 H210018 -1.869 -1.738 -3.184 + 1237TIP3 OH210019 -1.882 -1.821 -3.661 + 1237TIP3 H110020 -1.977 -1.833 -3.677 + 1237TIP3 H210021 -1.847 -1.842 -3.750 + 1238TIP3 OH210022 -1.314 -1.768 -3.785 + 1238TIP3 H110023 -1.355 -1.685 -3.818 + 1238TIP3 H210024 -1.250 -1.788 -3.856 + 1239TIP3 OH210025 -1.402 -1.745 -2.647 + 1239TIP3 H110026 -1.453 -1.821 -2.611 + 1239TIP3 H210027 -1.315 -1.759 -2.606 + 1240TIP3 OH210028 -1.235 -1.827 -3.505 + 1240TIP3 H110029 -1.263 -1.769 -3.580 + 1240TIP3 H210030 -1.214 -1.908 -3.556 + 1241TIP3 OH210031 -2.145 -1.811 -2.963 + 1241TIP3 H110032 -2.111 -1.785 -2.877 + 1241TIP3 H210033 -2.177 -1.902 -2.944 + 1242TIP3 OH210034 -1.764 -2.066 -4.311 + 1242TIP3 H110035 -1.801 -2.100 -4.227 + 1242TIP3 H210036 -1.843 -2.021 -4.348 + 1243TIP3 OH210037 -2.456 -2.064 -3.601 + 1243TIP3 H110038 -2.395 -2.069 -3.525 + 1243TIP3 H210039 -2.406 -2.105 -3.673 + 1244TIP3 OH210040 -2.301 -2.023 -4.038 + 1244TIP3 H110041 -2.243 -1.978 -4.101 + 1244TIP3 H210042 -2.366 -1.954 -4.018 + 1245TIP3 OH210043 -1.326 -1.658 -3.059 + 1245TIP3 H110044 -1.282 -1.731 -3.109 + 1245TIP3 H210045 -1.359 -1.706 -2.981 + 1246TIP3 OH210046 -1.604 -2.063 -3.557 + 1246TIP3 H110047 -1.699 -2.068 -3.535 + 1246TIP3 H210048 -1.563 -2.083 -3.471 + 1247TIP3 OH210049 -2.147 -1.941 -3.690 + 1247TIP3 H110050 -2.229 -1.915 -3.736 + 1247TIP3 H210051 -2.118 -2.020 -3.738 + 1248TIP3 OH210052 -1.787 -1.899 -3.920 + 1248TIP3 H110053 -1.690 -1.898 -3.916 + 1248TIP3 H210054 -1.809 -1.843 -3.997 + 1249TIP3 OH210055 -1.166 -2.149 -3.256 + 1249TIP3 H110056 -1.230 -2.148 -3.181 + 1249TIP3 H210057 -1.224 -2.183 -3.326 + 1250TIP3 OH210058 -1.930 -1.784 -4.160 + 1250TIP3 H110059 -1.990 -1.839 -4.213 + 1250TIP3 H210060 -1.854 -1.774 -4.218 + 1251TIP3 OH210061 -0.866 -0.572 -2.590 + 1251TIP3 H110062 -0.842 -0.525 -2.671 + 1251TIP3 H210063 -0.800 -0.538 -2.527 + 1252TIP3 OH210064 -2.075 -1.310 -2.647 + 1252TIP3 H110065 -2.008 -1.302 -2.576 + 1252TIP3 H210066 -2.156 -1.309 -2.593 + 1253TIP3 OH210067 -1.503 -1.808 -3.375 + 1253TIP3 H110068 -1.430 -1.852 -3.420 + 1253TIP3 H210069 -1.520 -1.869 -3.300 + 1254TIP3 OH210070 -1.972 -2.167 -3.762 + 1254TIP3 H110071 -2.027 -2.245 -3.748 + 1254TIP3 H210072 -1.890 -2.206 -3.796 + 1255TIP3 OH210073 -1.605 -1.962 -3.151 + 1255TIP3 H110074 -1.684 -1.905 -3.149 + 1255TIP3 H210075 -1.558 -1.938 -3.069 + 1256TIP3 OH210076 -1.591 -1.324 -3.961 + 1256TIP3 H110077 -1.668 -1.374 -3.995 + 1256TIP3 H210078 -1.611 -1.319 -3.864 + 1257TIP3 OH210079 -0.869 -1.408 -3.087 + 1257TIP3 H110080 -0.820 -1.353 -3.152 + 1257TIP3 H210081 -0.955 -1.419 -3.132 + 1258TIP3 OH210082 -1.175 -2.047 -4.183 + 1258TIP3 H110083 -1.273 -2.051 -4.186 + 1258TIP3 H210084 -1.156 -1.971 -4.125 + 1259TIP3 OH210085 -1.429 -1.323 -2.829 + 1259TIP3 H110086 -1.457 -1.355 -2.742 + 1259TIP3 H210087 -1.458 -1.231 -2.828 + 1260TIP3 OH210088 -1.115 -1.861 -3.988 + 1260TIP3 H110089 -1.029 -1.880 -3.945 + 1260TIP3 H210090 -1.100 -1.775 -4.029 + 1261TIP3 OH210091 -2.079 -1.385 -3.378 + 1261TIP3 H110092 -2.022 -1.396 -3.457 + 1261TIP3 H210093 -2.067 -1.471 -3.333 + 1262TIP3 OH210094 -1.348 -1.189 -4.072 + 1262TIP3 H110095 -1.376 -1.102 -4.038 + 1262TIP3 H210096 -1.423 -1.244 -4.042 + 1263TIP3 OH210097 -2.356 -1.557 -2.853 + 1263TIP3 H110098 -2.338 -1.600 -2.767 + 1263TIP3 H210099 -2.415 -1.622 -2.896 + 1264TIP3 OH210100 -1.655 -1.606 -2.655 + 1264TIP3 H110101 -1.688 -1.632 -2.742 + 1264TIP3 H210102 -1.562 -1.635 -2.661 + 1265TIP3 OH210103 -1.202 -1.064 -2.882 + 1265TIP3 H110104 -1.298 -1.055 -2.887 + 1265TIP3 H210105 -1.185 -1.039 -2.789 + 1266TIP3 OH210106 -0.644 -1.851 -3.999 + 1266TIP3 H110107 -0.707 -1.872 -4.071 + 1266TIP3 H210108 -0.632 -1.757 -4.017 + 1267TIP3 OH210109 -0.603 -1.255 -2.723 + 1267TIP3 H110110 -0.697 -1.233 -2.742 + 1267TIP3 H210111 -0.569 -1.272 -2.813 + 1268TIP3 OH210112 -0.821 -0.996 -3.993 + 1268TIP3 H110113 -0.852 -1.069 -3.938 + 1268TIP3 H210114 -0.786 -1.042 -4.071 + 1269TIP3 OH210115 -1.104 -1.464 -3.257 + 1269TIP3 H110116 -1.197 -1.480 -3.280 + 1269TIP3 H210117 -1.060 -1.537 -3.306 + 1270TIP3 OH210118 -1.840 -1.057 -3.655 + 1270TIP3 H110119 -1.798 -0.970 -3.664 + 1270TIP3 H210120 -1.933 -1.037 -3.674 + 1271TIP3 OH210121 -2.234 -1.565 -4.200 + 1271TIP3 H110122 -2.178 -1.501 -4.152 + 1271TIP3 H210123 -2.323 -1.544 -4.167 + 1272TIP3 OH210124 -1.657 -1.287 -3.692 + 1272TIP3 H110125 -1.689 -1.196 -3.676 + 1272TIP3 H210126 -1.726 -1.338 -3.647 + 1273TIP3 OH210127 -1.641 -0.862 -3.055 + 1273TIP3 H110128 -1.585 -0.786 -3.082 + 1273TIP3 H210129 -1.580 -0.911 -2.998 + 1274TIP3 OH210130 -1.796 -0.766 -3.735 + 1274TIP3 H110131 -1.892 -0.753 -3.724 + 1274TIP3 H210132 -1.761 -0.679 -3.708 + 1275TIP3 OH210133 -1.301 -1.287 -3.098 + 1275TIP3 H110134 -1.329 -1.314 -3.009 + 1275TIP3 H210135 -1.226 -1.347 -3.115 + 1276TIP3 OH210136 -1.082 -1.152 -4.194 + 1276TIP3 H110137 -1.035 -1.200 -4.123 + 1276TIP3 H210138 -1.173 -1.165 -4.163 + 1277TIP3 OH210139 -1.005 -0.831 -2.860 + 1277TIP3 H110140 -1.081 -0.875 -2.900 + 1277TIP3 H210141 -0.996 -0.750 -2.914 + 1278TIP3 OH210142 -0.595 -0.712 -4.161 + 1278TIP3 H110143 -0.524 -0.646 -4.146 + 1278TIP3 H210144 -0.674 -0.660 -4.135 + 1279TIP3 OH210145 -2.220 -2.093 -2.892 + 1279TIP3 H110146 -2.312 -2.067 -2.914 + 1279TIP3 H210147 -2.234 -2.178 -2.847 + 1280TIP3 OH210148 -0.985 -1.297 -3.970 + 1280TIP3 H110149 -1.013 -1.367 -3.908 + 1280TIP3 H210150 -0.888 -1.301 -3.959 + 1281TIP3 OH210151 -2.247 -0.918 -3.049 + 1281TIP3 H110152 -2.213 -1.007 -3.032 + 1281TIP3 H210153 -2.224 -0.873 -2.966 + 1282TIP3 OH210154 -1.634 -1.054 -4.325 + 1282TIP3 H110155 -1.598 -1.139 -4.355 + 1282TIP3 H210156 -1.690 -1.083 -4.251 + 1283TIP3 OH210157 -1.781 -1.099 -4.074 + 1283TIP3 H110158 -1.728 -1.153 -4.014 + 1283TIP3 H210159 -1.758 -1.007 -4.047 + 1284TIP3 OH210160 -2.094 -1.362 -4.038 + 1284TIP3 H110161 -2.168 -1.321 -3.988 + 1284TIP3 H210162 -2.045 -1.284 -4.067 + 1285TIP3 OH210163 -1.323 -2.109 -3.036 + 1285TIP3 H110164 -1.262 -2.082 -2.965 + 1285TIP3 H210165 -1.373 -2.182 -2.995 + 1286TIP3 OH210166 -1.265 -2.152 -3.921 + 1286TIP3 H110167 -1.233 -2.104 -3.998 + 1286TIP3 H210168 -1.213 -2.114 -3.849 + 1287TIP3 OH210169 -1.484 -0.940 -4.029 + 1287TIP3 H110170 -1.561 -0.889 -4.001 + 1287TIP3 H210171 -1.432 -0.873 -4.074 + 1288TIP3 OH210172 -1.521 -1.961 -3.815 + 1288TIP3 H110173 -1.441 -1.906 -3.800 + 1288TIP3 H210174 -1.549 -1.980 -3.724 + 1289TIP3 OH210175 -1.481 -1.874 -2.900 + 1289TIP3 H110176 -1.478 -1.822 -2.818 + 1289TIP3 H210177 -1.429 -1.951 -2.876 + 1290TIP3 OH210178 -1.456 -2.261 -3.723 + 1290TIP3 H110179 -1.477 -2.192 -3.657 + 1290TIP3 H210180 -1.386 -2.217 -3.775 + 1291TIP3 OH210181 -1.763 -0.821 -4.025 + 1291TIP3 H110182 -1.759 -0.735 -4.072 + 1291TIP3 H210183 -1.777 -0.793 -3.932 + 1292TIP3 OH210184 -1.886 -2.152 -4.081 + 1292TIP3 H110185 -1.890 -2.084 -4.012 + 1292TIP3 H210186 -1.814 -2.210 -4.048 + 1293TIP3 OH210187 -0.855 -2.073 -2.810 + 1293TIP3 H110188 -0.951 -2.060 -2.825 + 1293TIP3 H210189 -0.829 -2.095 -2.900 + 1294TIP3 OH210190 -1.004 -1.689 -3.409 + 1294TIP3 H110191 -1.086 -1.734 -3.435 + 1294TIP3 H210192 -0.956 -1.760 -3.361 + 1295TIP3 OH210193 -2.052 -1.064 -4.158 + 1295TIP3 H110194 -1.970 -1.038 -4.113 + 1295TIP3 H210195 -2.015 -1.117 -4.230 + 1296TIP3 OH210196 -2.226 -1.847 -4.256 + 1296TIP3 H110197 -2.214 -1.752 -4.239 + 1296TIP3 H210198 -2.317 -1.850 -4.289 + 1297TIP3 OH210199 -0.902 -0.805 -3.272 + 1297TIP3 H110200 -0.918 -0.721 -3.319 + 1297TIP3 H210201 -0.810 -0.791 -3.243 + 1298TIP3 OH210202 -2.141 -2.352 -3.371 + 1298TIP3 H110203 -2.158 -2.355 -3.467 + 1298TIP3 H210204 -2.174 -2.439 -3.340 + 1299TIP3 OH210205 -2.254 -1.002 -3.748 + 1299TIP3 H110206 -2.331 -0.949 -3.724 + 1299TIP3 H210207 -2.213 -0.950 -3.818 + 1300TIP3 OH210208 -2.305 -0.714 -2.635 + 1300TIP3 H110209 -2.254 -0.736 -2.555 + 1300TIP3 H210210 -2.347 -0.799 -2.658 + 1301TIP3 OH210211 -1.840 -0.804 -2.448 + 1301TIP3 H110212 -1.772 -0.870 -2.427 + 1301TIP3 H210213 -1.863 -0.831 -2.539 + 1302TIP3 OH210214 -1.419 -0.871 -4.333 + 1302TIP3 H110215 -1.501 -0.925 -4.325 + 1302TIP3 H210216 -1.355 -0.941 -4.352 + 1303TIP3 OH210217 -1.193 -0.981 -2.594 + 1303TIP3 H110218 -1.234 -1.060 -2.555 + 1303TIP3 H210219 -1.126 -0.956 -2.527 + 1304TIP3 OH210220 -1.023 -0.886 -4.288 + 1304TIP3 H110221 -1.024 -0.975 -4.248 + 1304TIP3 H210222 -0.936 -0.885 -4.328 + 1305TIP3 OH210223 -2.329 -1.342 -2.536 + 1305TIP3 H110224 -2.318 -1.435 -2.560 + 1305TIP3 H210225 -2.405 -1.316 -2.591 + 1306TIP3 OH210226 -1.888 -1.288 -4.306 + 1306TIP3 H110227 -1.878 -1.361 -4.243 + 1306TIP3 H210228 -1.823 -1.311 -4.374 + 1307TIP3 OH210229 -1.651 -1.330 -2.583 + 1307TIP3 H110230 -1.683 -1.297 -2.668 + 1307TIP3 H210231 -1.645 -1.427 -2.597 + 1308TIP3 OH210232 -1.357 -1.188 -4.348 + 1308TIP3 H110233 -1.346 -1.180 -4.251 + 1308TIP3 H210234 -1.296 -1.260 -4.371 + 1309TIP3 OH210235 -1.116 -1.369 -2.844 + 1309TIP3 H110236 -1.038 -1.314 -2.862 + 1309TIP3 H210237 -1.186 -1.301 -2.844 + 1310TIP3 OH210238 -2.231 -1.631 -2.601 + 1310TIP3 H110239 -2.159 -1.697 -2.600 + 1310TIP3 H210240 -2.235 -1.609 -2.506 + 1311TIP3 OH210241 -1.786 -1.499 -4.089 + 1311TIP3 H110242 -1.848 -1.546 -4.030 + 1311TIP3 H210243 -1.752 -1.572 -4.144 + 1312TIP3 OH210244 -1.866 -1.724 -2.860 + 1312TIP3 H110245 -1.916 -1.645 -2.834 + 1312TIP3 H210246 -1.798 -1.686 -2.918 + 1313TIP3 OH210247 -1.668 -1.685 -4.277 + 1313TIP3 H110248 -1.662 -1.716 -4.369 + 1313TIP3 H210249 -1.573 -1.690 -4.251 + 1314TIP3 OH210250 -1.333 -1.452 -2.501 + 1314TIP3 H110251 -1.243 -1.472 -2.531 + 1314TIP3 H210252 -1.359 -1.536 -2.461 + 1315TIP3 OH210253 -1.803 -1.992 -2.742 + 1315TIP3 H110254 -1.798 -2.059 -2.812 + 1315TIP3 H210255 -1.826 -1.912 -2.793 + 1316TIP3 OH210256 -1.771 -2.147 -2.997 + 1316TIP3 H110257 -1.720 -2.095 -3.062 + 1316TIP3 H210258 -1.862 -2.144 -3.033 + 1317TIP3 OH210259 -1.618 -1.602 -2.957 + 1317TIP3 H110260 -1.533 -1.611 -3.004 + 1317TIP3 H210261 -1.647 -1.514 -2.987 + 1318TIP3 OH210262 -1.159 -1.808 -2.479 + 1318TIP3 H110263 -1.137 -1.901 -2.464 + 1318TIP3 H210264 -1.071 -1.768 -2.486 + 1319TIP3 OH210265 -1.061 -1.529 -2.628 + 1319TIP3 H110266 -1.096 -1.468 -2.697 + 1319TIP3 H210267 -0.972 -1.545 -2.665 + 1320TIP3 OH210268 -1.985 -1.807 -2.565 + 1320TIP3 H110269 -2.039 -1.888 -2.561 + 1320TIP3 H210270 -1.903 -1.840 -2.606 + 1321TIP3 OH210271 -1.699 -2.414 -2.962 + 1321TIP3 H110272 -1.717 -2.319 -2.977 + 1321TIP3 H210273 -1.769 -2.456 -3.015 + 1322TIP3 OH210274 -1.573 -1.957 -2.582 + 1322TIP3 H110275 -1.610 -1.979 -2.494 + 1322TIP3 H210276 -1.652 -1.976 -2.637 + 1323TIP3 OH210277 -1.319 -2.052 -2.696 + 1323TIP3 H110278 -1.408 -2.047 -2.656 + 1323TIP3 H210279 -1.274 -2.115 -2.637 + 1324TIP3 OH210280 -1.130 -2.204 -2.520 + 1324TIP3 H110281 -1.151 -2.298 -2.506 + 1324TIP3 H210282 -1.154 -2.162 -2.435 + 1325TIP3 OH210283 -2.117 -2.063 -2.579 + 1325TIP3 H110284 -2.126 -2.135 -2.644 + 1325TIP3 H210285 -2.139 -2.109 -2.496 + 1326TIP3 OH210286 -1.714 -2.464 -2.680 + 1326TIP3 H110287 -1.657 -2.542 -2.674 + 1326TIP3 H210288 -1.718 -2.450 -2.776 + 1327TIP3 OH210289 -1.619 -2.276 -2.497 + 1327TIP3 H110290 -1.651 -2.337 -2.566 + 1327TIP3 H210291 -1.691 -2.211 -2.491 + 1328TIP3 OH210292 -1.708 -0.574 -4.173 + 1328TIP3 H110293 -1.613 -0.559 -4.161 + 1328TIP3 H210294 -1.732 -0.512 -4.243 + 1329TIP3 OH210295 -2.324 -1.168 -4.197 + 1329TIP3 H110296 -2.234 -1.131 -4.197 + 1329TIP3 H210297 -2.325 -1.222 -4.277 + 1330TIP3 OH210298 -2.417 -0.618 -3.722 + 1330TIP3 H110299 -2.492 -0.651 -3.775 + 1330TIP3 H210300 -2.414 -0.683 -3.649 + 1331TIP3 OH210301 -2.383 -0.814 -3.521 + 1331TIP3 H110302 -2.413 -0.900 -3.489 + 1331TIP3 H210303 -2.352 -0.776 -3.437 + 1332TIP3 OH210304 -0.630 -0.685 -3.220 + 1332TIP3 H110305 -0.615 -0.688 -3.124 + 1332TIP3 H210306 -0.543 -0.658 -3.251 + 1333TIP3 OH210307 -0.641 -0.742 -2.932 + 1333TIP3 H110308 -0.692 -0.818 -2.967 + 1333TIP3 H210309 -0.584 -0.788 -2.868 + 1334TIP3 OH210310 -0.840 -1.198 -2.502 + 1334TIP3 H110311 -0.928 -1.190 -2.462 + 1334TIP3 H210312 -0.794 -1.118 -2.469 + 1335TIP3 OH210313 -0.700 -1.315 -3.930 + 1335TIP3 H110314 -0.610 -1.281 -3.916 + 1335TIP3 H210315 -0.706 -1.379 -3.857 + 1336TIP3 OH210316 -0.655 -1.514 -3.732 + 1336TIP3 H110317 -0.722 -1.571 -3.688 + 1336TIP3 H210318 -0.586 -1.502 -3.664 + 1337TIP3 OH210319 -0.682 -1.263 -3.234 + 1337TIP3 H110320 -0.619 -1.312 -3.290 + 1337TIP3 H210321 -0.668 -1.172 -3.264 + 1338TIP3 OH210322 -0.810 -0.971 -3.010 + 1338TIP3 H110323 -0.883 -0.931 -2.959 + 1338TIP3 H210324 -0.857 -1.008 -3.087 + 1339TIP3 OH210325 -0.626 -1.548 -4.108 + 1339TIP3 H110326 -0.690 -1.520 -4.175 + 1339TIP3 H210327 -0.645 -1.483 -4.038 + 1340TIP3 OH210328 -0.807 -1.810 -4.217 + 1340TIP3 H110329 -0.774 -1.736 -4.271 + 1340TIP3 H210330 -0.765 -1.885 -4.260 + 1341TIP3 OH210331 -0.862 -1.700 -3.651 + 1341TIP3 H110332 -0.870 -1.796 -3.666 + 1341TIP3 H210333 -0.900 -1.691 -3.561 + 1342TIP3 OH210334 -2.376 -1.480 -3.278 + 1342TIP3 H110335 -2.351 -1.475 -3.372 + 1342TIP3 H210336 -2.289 -1.503 -3.238 + 1343TIP3 OH210337 -0.800 -1.507 -2.737 + 1343TIP3 H110338 -0.727 -1.569 -2.718 + 1343TIP3 H210339 -0.754 -1.424 -2.755 + 1344TIP3 OH210340 -0.645 -1.696 -2.614 + 1344TIP3 H110341 -0.724 -1.750 -2.635 + 1344TIP3 H210342 -0.574 -1.763 -2.616 + 1345TIP3 OH210343 -0.881 -2.134 -4.340 + 1345TIP3 H110344 -0.823 -2.155 -4.266 + 1345TIP3 H210345 -0.969 -2.163 -4.312 + 1346TIP3 OH210346 -0.882 -1.946 -3.837 + 1346TIP3 H110347 -0.856 -2.041 -3.829 + 1346TIP3 H210348 -0.800 -1.909 -3.872 + 1347TIP3 OH210349 -0.851 -1.889 -3.289 + 1347TIP3 H110350 -0.753 -1.878 -3.291 + 1347TIP3 H210351 -0.866 -1.887 -3.193 + 1348TIP3 OH210352 -0.835 -1.820 -3.007 + 1348TIP3 H110353 -0.920 -1.781 -2.980 + 1348TIP3 H210354 -0.782 -1.740 -3.027 + 1349TIP3 OH210355 -2.384 -1.941 -2.642 + 1349TIP3 H110356 -2.291 -1.968 -2.633 + 1349TIP3 H210357 -2.429 -2.028 -2.635 + 1350TIP3 OH210358 -0.579 -2.405 -2.478 + 1350TIP3 H110359 -0.536 -2.473 -2.533 + 1350TIP3 H210360 -0.575 -2.327 -2.536 + 1351TIP3 OH210361 -0.831 -2.220 -3.827 + 1351TIP3 H110362 -0.818 -2.259 -3.740 + 1351TIP3 H210363 -0.903 -2.276 -3.863 + 1352TIP3 OH210364 -2.309 -2.109 -3.358 + 1352TIP3 H110365 -2.264 -2.195 -3.352 + 1352TIP3 H210366 -2.239 -2.049 -3.325 + 1353TIP3 OH210367 -2.456 -1.837 -3.255 + 1353TIP3 H110368 -2.396 -1.848 -3.330 + 1353TIP3 H210369 -2.416 -1.760 -3.211 + 1354TIP3 OH210370 -0.642 -2.200 -2.652 + 1354TIP3 H110371 -0.729 -2.157 -2.649 + 1354TIP3 H210372 -0.653 -2.254 -2.733 + 1355TIP3 OH210373 -0.627 -2.180 -4.177 + 1355TIP3 H110374 -0.605 -2.256 -4.233 + 1355TIP3 H210375 -0.542 -2.134 -4.170 + 1356TIP3 OH210376 -2.404 -2.204 -3.850 + 1356TIP3 H110377 -2.498 -2.204 -3.872 + 1356TIP3 H210378 -2.365 -2.148 -3.919 + 1357TIP3 OH210379 -0.943 -0.683 -3.642 + 1357TIP3 H110380 -0.892 -0.711 -3.720 + 1357TIP3 H210381 -0.875 -0.645 -3.585 + 1358TIP3 OH210382 -2.400 -2.319 -3.035 + 1358TIP3 H110383 -2.469 -2.348 -2.973 + 1358TIP3 H210384 -2.451 -2.270 -3.100 + 1359TIP3 OH210385 -2.199 -1.016 -2.566 + 1359TIP3 H110386 -2.272 -1.009 -2.629 + 1359TIP3 H210387 -2.243 -1.011 -2.480 + 1360TIP3 OH210388 -1.918 -0.914 -3.001 + 1360TIP3 H110389 -1.947 -0.827 -3.034 + 1360TIP3 H210390 -1.821 -0.904 -3.017 + 1361TIP3 OH210391 -1.465 -0.783 -2.699 + 1361TIP3 H110392 -1.453 -0.798 -2.604 + 1361TIP3 H210393 -1.383 -0.737 -2.723 + 1362TIP3 OH210394 -1.236 -0.636 -2.774 + 1362TIP3 H110395 -1.168 -0.702 -2.795 + 1362TIP3 H210396 -1.207 -0.605 -2.687 + 1363TIP3 OH210397 -0.754 -2.376 -2.855 + 1363TIP3 H110398 -0.834 -2.356 -2.906 + 1363TIP3 H210399 -0.732 -2.466 -2.888 + 1364TIP3 OH210400 -2.182 -0.619 -2.967 + 1364TIP3 H110401 -2.242 -0.554 -3.009 + 1364TIP3 H210402 -2.209 -0.610 -2.875 + 1365TIP3 OH210403 -1.931 -0.640 -3.112 + 1365TIP3 H110404 -2.016 -0.621 -3.067 + 1365TIP3 H210405 -1.927 -0.570 -3.179 + 1366TIP3 OH210406 -1.456 -0.640 -3.156 + 1366TIP3 H110407 -1.494 -0.594 -3.232 + 1366TIP3 H210408 -1.448 -0.567 -3.091 + 1367TIP3 OH210409 -1.222 -0.769 -3.065 + 1367TIP3 H110410 -1.307 -0.732 -3.096 + 1367TIP3 H210411 -1.166 -0.689 -3.063 + 1368TIP3 OH210412 -0.969 -0.595 -3.044 + 1368TIP3 H110413 -0.974 -0.500 -3.065 + 1368TIP3 H210414 -0.941 -0.631 -3.130 + 1369TIP3 OH210415 -2.221 -0.738 -3.273 + 1369TIP3 H110416 -2.223 -0.784 -3.186 + 1369TIP3 H210417 -2.144 -0.781 -3.315 + 1370TIP3 OH210418 -2.019 -0.862 -3.430 + 1370TIP3 H110419 -2.035 -0.955 -3.401 + 1370TIP3 H210420 -1.928 -0.847 -3.396 + 1371TIP3 OH210421 -1.744 -0.816 -3.340 + 1371TIP3 H110422 -1.725 -0.910 -3.360 + 1371TIP3 H210423 -1.737 -0.818 -3.243 + 1372TIP3 OH210424 -1.411 -2.227 -3.409 + 1372TIP3 H110425 -1.480 -2.294 -3.394 + 1372TIP3 H210426 -1.352 -2.273 -3.470 + 1373TIP3 OH210427 -0.916 -2.425 -3.362 + 1373TIP3 H110428 -0.841 -2.380 -3.405 + 1373TIP3 H210429 -0.991 -2.395 -3.417 + 1374TIP3 OH210430 -0.707 -2.315 -3.575 + 1374TIP3 H110431 -0.637 -2.355 -3.628 + 1374TIP3 H210432 -0.677 -2.223 -3.567 + 1375TIP3 OH210433 -2.176 -2.355 -3.652 + 1375TIP3 H110434 -2.262 -2.369 -3.697 + 1375TIP3 H210435 -2.133 -2.441 -3.668 + 1376TIP3 OH210436 -2.304 -2.398 -4.084 + 1376TIP3 H110437 -2.236 -2.339 -4.126 + 1376TIP3 H210438 -2.328 -2.346 -4.006 + 1377TIP3 OH210439 -1.729 -2.371 -3.665 + 1377TIP3 H110440 -1.637 -2.343 -3.679 + 1377TIP3 H210441 -1.731 -2.382 -3.570 + 1378TIP3 OH210442 -1.167 -2.369 -3.523 + 1378TIP3 H110443 -1.145 -2.383 -3.617 + 1378TIP3 H210444 -1.208 -2.454 -3.500 + 1379TIP3 OH210445 -1.066 -2.365 -3.914 + 1379TIP3 H110446 -1.145 -2.319 -3.948 + 1379TIP3 H210447 -1.092 -2.458 -3.928 + 1380TIP3 OH210448 -2.288 -0.810 -3.967 + 1380TIP3 H110449 -2.361 -0.811 -4.031 + 1380TIP3 H210450 -2.289 -0.717 -3.940 + 1381TIP3 OH210451 -2.129 -2.225 -4.223 + 1381TIP3 H110452 -2.080 -2.284 -4.281 + 1381TIP3 H210453 -2.057 -2.181 -4.174 + 1382TIP3 OH210454 -1.616 -2.207 -3.959 + 1382TIP3 H110455 -1.578 -2.263 -3.889 + 1382TIP3 H210456 -1.592 -2.120 -3.926 + 1383TIP3 OH210457 -1.412 -0.646 -4.146 + 1383TIP3 H110458 -1.315 -0.634 -4.149 + 1383TIP3 H210459 -1.423 -0.707 -4.221 + 1384TIP3 OH210460 -0.748 -0.727 -3.885 + 1384TIP3 H110461 -0.779 -0.811 -3.926 + 1384TIP3 H210462 -0.772 -0.661 -3.953 + 1385TIP3 OH210463 -2.193 -2.332 -2.703 + 1385TIP3 H110464 -2.237 -2.411 -2.665 + 1385TIP3 H210465 -2.102 -2.345 -2.671 + 1386TIP3 OH210466 -1.958 -2.393 -2.527 + 1386TIP3 H110467 -1.876 -2.430 -2.567 + 1386TIP3 H210468 -1.993 -2.472 -2.483 + 1387TIP3 OH210469 -2.088 -0.702 -4.232 + 1387TIP3 H110470 -2.130 -0.679 -4.149 + 1387TIP3 H210471 -2.025 -0.771 -4.207 + 1388TIP3 OH210472 -1.146 -2.484 -2.509 + 1388TIP3 H110473 -1.143 -2.524 -2.420 + 1388TIP3 H210474 -1.052 -2.487 -2.534 + 1389TIP3 OH210475 -0.808 -0.849 -2.640 + 1389TIP3 H110476 -0.882 -0.868 -2.700 + 1389TIP3 H210477 -0.826 -0.755 -2.619 + 1390TIP3 OH210478 0.611 -1.482 -3.627 + 1390TIP3 H110479 0.609 -1.385 -3.617 + 1390TIP3 H210480 0.536 -1.496 -3.688 + 1391TIP3 OH210481 0.496 -1.536 -3.319 + 1391TIP3 H110482 0.495 -1.593 -3.241 + 1391TIP3 H210483 0.470 -1.598 -3.389 + 1392TIP3 OH210484 -0.256 -1.577 -3.152 + 1392TIP3 H110485 -0.258 -1.652 -3.089 + 1392TIP3 H210486 -0.185 -1.523 -3.114 + 1393TIP3 OH210487 0.866 -1.262 -3.488 + 1393TIP3 H110488 0.827 -1.334 -3.436 + 1393TIP3 H210489 0.892 -1.201 -3.418 + 1394TIP3 OH210490 -0.191 -1.114 -3.305 + 1394TIP3 H110491 -0.214 -1.206 -3.329 + 1394TIP3 H210492 -0.099 -1.127 -3.279 + 1395TIP3 OH210493 -0.490 -1.774 -3.764 + 1395TIP3 H110494 -0.531 -1.687 -3.752 + 1395TIP3 H210495 -0.562 -1.824 -3.807 + 1396TIP3 OH210496 -0.411 -1.529 -3.579 + 1396TIP3 H110497 -0.396 -1.612 -3.530 + 1396TIP3 H210498 -0.326 -1.518 -3.625 + 1397TIP3 OH210499 0.571 -0.726 -3.432 + 1397TIP3 H110500 0.629 -0.799 -3.463 + 1397TIP3 H210501 0.543 -0.759 -3.346 + 1398TIP3 OH210502 0.345 -1.286 -3.264 + 1398TIP3 H110503 0.377 -1.358 -3.320 + 1398TIP3 H210504 0.426 -1.270 -3.211 + 1399TIP3 OH210505 1.207 -2.133 -3.205 + 1399TIP3 H110506 1.227 -2.082 -3.124 + 1399TIP3 H210507 1.275 -2.099 -3.266 + 1400TIP3 OH210508 0.675 -1.852 -3.213 + 1400TIP3 H110509 0.688 -1.948 -3.206 + 1400TIP3 H210510 0.665 -1.841 -3.309 + 1401TIP3 OH210511 -0.028 -2.052 -3.505 + 1401TIP3 H110512 -0.013 -1.966 -3.549 + 1401TIP3 H210513 -0.064 -2.103 -3.580 + 1402TIP3 OH210514 0.754 -2.036 -3.672 + 1402TIP3 H110515 0.815 -2.079 -3.608 + 1402TIP3 H210516 0.817 -1.991 -3.731 + 1403TIP3 OH210517 -0.359 -1.779 -3.454 + 1403TIP3 H110518 -0.296 -1.825 -3.397 + 1403TIP3 H210519 -0.350 -1.828 -3.537 + 1404TIP3 OH210520 0.178 -1.639 -3.508 + 1404TIP3 H110521 0.250 -1.694 -3.469 + 1404TIP3 H210522 0.129 -1.706 -3.559 + 1405TIP3 OH210523 1.255 -2.025 -2.957 + 1405TIP3 H110524 1.216 -1.936 -2.968 + 1405TIP3 H210525 1.294 -2.020 -2.869 + 1406TIP3 OH210526 -0.149 -2.174 -3.089 + 1406TIP3 H110527 -0.188 -2.122 -3.161 + 1406TIP3 H210528 -0.214 -2.158 -3.018 + 1407TIP3 OH210529 0.603 -1.195 -3.750 + 1407TIP3 H110530 0.570 -1.222 -3.836 + 1407TIP3 H210531 0.555 -1.112 -3.733 + 1408TIP3 OH210532 0.145 -1.384 -3.077 + 1408TIP3 H110533 0.071 -1.324 -3.052 + 1408TIP3 H210534 0.207 -1.322 -3.119 + 1409TIP3 OH210535 0.945 -2.112 -3.469 + 1409TIP3 H110536 0.899 -2.168 -3.405 + 1409TIP3 H210537 0.991 -2.050 -3.410 + 1410TIP3 OH210538 -0.188 -1.968 -3.295 + 1410TIP3 H110539 -0.124 -1.911 -3.248 + 1410TIP3 H210540 -0.131 -2.004 -3.365 + 1411TIP3 OH210541 -0.057 -1.195 -3.007 + 1411TIP3 H110542 -0.059 -1.101 -3.030 + 1411TIP3 H210543 -0.142 -1.204 -2.960 + 1412TIP3 OH210544 -0.426 -1.226 -3.919 + 1412TIP3 H110545 -0.446 -1.179 -4.003 + 1412TIP3 H210546 -0.409 -1.153 -3.856 + 1413TIP3 OH210547 0.921 -1.082 -3.238 + 1413TIP3 H110548 0.824 -1.071 -3.235 + 1413TIP3 H210549 0.948 -0.996 -3.275 + 1414TIP3 OH210550 0.951 -2.198 -3.087 + 1414TIP3 H110551 0.876 -2.156 -3.132 + 1414TIP3 H210552 1.026 -2.175 -3.146 + 1415TIP3 OH210553 0.265 -2.422 -3.382 + 1415TIP3 H110554 0.244 -2.517 -3.385 + 1415TIP3 H210555 0.184 -2.385 -3.343 + 1416TIP3 OH210556 0.750 -0.888 -3.581 + 1416TIP3 H110557 0.797 -0.967 -3.613 + 1416TIP3 H210558 0.818 -0.819 -3.593 + 1417TIP3 OH210559 0.895 -1.100 -3.720 + 1417TIP3 H110560 0.845 -1.148 -3.788 + 1417TIP3 H210561 0.891 -1.164 -3.646 + 1418TIP3 OH210562 1.050 -1.222 -2.871 + 1418TIP3 H110563 1.039 -1.285 -2.945 + 1418TIP3 H210564 1.061 -1.137 -2.918 + 1419TIP3 OH210565 0.481 -1.525 -3.901 + 1419TIP3 H110566 0.413 -1.471 -3.945 + 1419TIP3 H210567 0.550 -1.530 -3.970 + 1420TIP3 OH210568 0.526 -1.758 -4.155 + 1420TIP3 H110569 0.591 -1.688 -4.137 + 1420TIP3 H210570 0.521 -1.751 -4.252 + 1421TIP3 OH210571 1.228 -1.601 -3.078 + 1421TIP3 H110572 1.155 -1.536 -3.069 + 1421TIP3 H210573 1.276 -1.565 -3.155 + 1422TIP3 OH210574 0.830 -1.526 -3.793 + 1422TIP3 H110575 0.758 -1.507 -3.728 + 1422TIP3 H210576 0.884 -1.588 -3.742 + 1423TIP3 OH210577 0.812 -1.673 -2.909 + 1423TIP3 H110578 0.814 -1.590 -2.858 + 1423TIP3 H210579 0.746 -1.647 -2.976 + 1424TIP3 OH210580 -0.014 -1.452 -3.616 + 1424TIP3 H110581 -0.044 -1.496 -3.698 + 1424TIP3 H210582 0.052 -1.516 -3.582 + 1425TIP3 OH210583 0.124 -1.110 -3.343 + 1425TIP3 H110584 0.113 -1.152 -3.430 + 1425TIP3 H210585 0.203 -1.157 -3.309 + 1426TIP3 OH210586 0.045 -1.570 -3.267 + 1426TIP3 H110587 0.103 -1.568 -3.345 + 1426TIP3 H210588 0.086 -1.504 -3.208 + 1427TIP3 OH210589 0.642 -1.020 -3.209 + 1427TIP3 H110590 0.642 -0.952 -3.139 + 1427TIP3 H210591 0.617 -1.102 -3.162 + 1428TIP3 OH210592 0.130 -1.133 -2.781 + 1428TIP3 H110593 0.078 -1.064 -2.734 + 1428TIP3 H210594 0.067 -1.160 -2.850 + 1429TIP3 OH210595 0.733 -1.578 -4.056 + 1429TIP3 H110596 0.780 -1.555 -3.974 + 1429TIP3 H210597 0.791 -1.539 -4.124 + 1430TIP3 OH210598 -0.180 -1.487 -2.872 + 1430TIP3 H110599 -0.171 -1.444 -2.785 + 1430TIP3 H210600 -0.275 -1.510 -2.874 + 1431TIP3 OH210601 0.468 -0.923 -3.696 + 1431TIP3 H110602 0.517 -0.898 -3.617 + 1431TIP3 H210603 0.420 -0.841 -3.718 + 1432TIP3 OH210604 -0.049 -0.927 -2.688 + 1432TIP3 H110605 -0.062 -0.904 -2.781 + 1432TIP3 H210606 -0.139 -0.938 -2.654 + 1433TIP3 OH210607 1.079 -2.409 -4.058 + 1433TIP3 H110608 0.983 -2.399 -4.043 + 1433TIP3 H210609 1.101 -2.324 -4.098 + 1434TIP3 OH210610 -0.122 -1.577 -3.860 + 1434TIP3 H110611 -0.143 -1.503 -3.920 + 1434TIP3 H210612 -0.187 -1.643 -3.888 + 1435TIP3 OH210613 1.180 -0.984 -4.252 + 1435TIP3 H110614 1.213 -0.905 -4.205 + 1435TIP3 H210615 1.253 -1.047 -4.242 + 1436TIP3 OH210616 -0.515 -1.311 -2.990 + 1436TIP3 H110617 -0.559 -1.312 -3.077 + 1436TIP3 H210618 -0.501 -1.406 -2.973 + 1437TIP3 OH210619 -0.509 -1.016 -3.298 + 1437TIP3 H110620 -0.417 -1.047 -3.292 + 1437TIP3 H210621 -0.514 -0.958 -3.220 + 1438TIP3 OH210622 1.327 -0.957 -2.719 + 1438TIP3 H110623 1.317 -1.052 -2.737 + 1438TIP3 H210624 1.236 -0.934 -2.690 + 1439TIP3 OH210625 0.393 -1.026 -2.839 + 1439TIP3 H110626 0.401 -0.951 -2.777 + 1439TIP3 H210627 0.304 -1.059 -2.816 + 1440TIP3 OH210628 0.421 -0.653 -3.847 + 1440TIP3 H110629 0.425 -0.643 -3.944 + 1440TIP3 H210630 0.430 -0.562 -3.815 + 1441TIP3 OH210631 -0.199 -0.739 -3.680 + 1441TIP3 H110632 -0.179 -0.783 -3.594 + 1441TIP3 H210633 -0.283 -0.782 -3.702 + 1442TIP3 OH210634 0.747 -0.691 -4.135 + 1442TIP3 H110635 0.791 -0.749 -4.201 + 1442TIP3 H210636 0.750 -0.746 -4.055 + 1443TIP3 OH210637 0.696 -0.764 -3.860 + 1443TIP3 H110638 0.602 -0.751 -3.839 + 1443TIP3 H210639 0.719 -0.835 -3.798 + 1444TIP3 OH210640 1.006 -1.821 -2.678 + 1444TIP3 H110641 0.959 -1.782 -2.753 + 1444TIP3 H210642 1.007 -1.916 -2.704 + 1445TIP3 OH210643 -0.298 -1.158 -2.857 + 1445TIP3 H110644 -0.264 -1.210 -2.782 + 1445TIP3 H210645 -0.367 -1.215 -2.896 + 1446TIP3 OH210646 0.024 -2.310 -3.289 + 1446TIP3 H110647 -0.059 -2.315 -3.340 + 1446TIP3 H210648 0.003 -2.235 -3.230 + 1447TIP3 OH210649 0.461 -2.352 -2.925 + 1447TIP3 H110650 0.514 -2.403 -2.861 + 1447TIP3 H210651 0.370 -2.386 -2.911 + 1448TIP3 OH210652 0.771 -1.969 -2.878 + 1448TIP3 H110653 0.716 -1.987 -2.799 + 1448TIP3 H210654 0.769 -1.872 -2.886 + 1449TIP3 OH210655 0.961 -1.503 -4.261 + 1449TIP3 H110656 0.901 -1.515 -4.337 + 1449TIP3 H210657 0.992 -1.413 -4.277 + 1450TIP3 OH210658 0.447 -2.121 -4.217 + 1450TIP3 H110659 0.390 -2.100 -4.142 + 1450TIP3 H210660 0.394 -2.185 -4.265 + 1451TIP3 OH210661 0.008 -1.830 -3.150 + 1451TIP3 H110662 -0.044 -1.817 -3.069 + 1451TIP3 H210663 0.017 -1.739 -3.184 + 1452TIP3 OH210664 0.004 -1.822 -3.660 + 1452TIP3 H110665 -0.091 -1.832 -3.677 + 1452TIP3 H210666 0.040 -1.841 -3.750 + 1453TIP3 OH210667 0.572 -1.767 -3.786 + 1453TIP3 H110668 0.531 -1.686 -3.821 + 1453TIP3 H210669 0.632 -1.791 -3.859 + 1454TIP3 OH210670 0.486 -1.750 -2.652 + 1454TIP3 H110671 0.432 -1.822 -2.614 + 1454TIP3 H210672 0.572 -1.763 -2.608 + 1455TIP3 OH210673 0.650 -1.827 -3.506 + 1455TIP3 H110674 0.622 -1.769 -3.581 + 1455TIP3 H210675 0.671 -1.908 -3.556 + 1456TIP3 OH210676 -0.261 -1.811 -2.962 + 1456TIP3 H110677 -0.223 -1.785 -2.878 + 1456TIP3 H210678 -0.291 -1.902 -2.943 + 1457TIP3 OH210679 0.112 -2.081 -4.317 + 1457TIP3 H110680 0.081 -2.100 -4.226 + 1457TIP3 H210681 0.040 -2.023 -4.349 + 1458TIP3 OH210682 -0.572 -2.066 -3.600 + 1458TIP3 H110683 -0.510 -2.069 -3.525 + 1458TIP3 H210684 -0.521 -2.105 -3.673 + 1459TIP3 OH210685 -0.414 -2.024 -4.038 + 1459TIP3 H110686 -0.358 -1.975 -4.102 + 1459TIP3 H210687 -0.481 -1.957 -4.017 + 1460TIP3 OH210688 0.561 -1.658 -3.057 + 1460TIP3 H110689 0.604 -1.731 -3.108 + 1460TIP3 H210690 0.527 -1.707 -2.980 + 1461TIP3 OH210691 0.281 -2.065 -3.557 + 1461TIP3 H110692 0.186 -2.067 -3.534 + 1461TIP3 H210693 0.322 -2.082 -3.471 + 1462TIP3 OH210694 -0.263 -1.941 -3.689 + 1462TIP3 H110695 -0.344 -1.914 -3.736 + 1462TIP3 H210696 -0.233 -2.020 -3.739 + 1463TIP3 OH210697 0.098 -1.899 -3.921 + 1463TIP3 H110698 0.196 -1.898 -3.917 + 1463TIP3 H210699 0.079 -1.843 -3.999 + 1464TIP3 OH210700 0.719 -2.148 -3.257 + 1464TIP3 H110701 0.657 -2.148 -3.181 + 1464TIP3 H210702 0.660 -2.182 -3.327 + 1465TIP3 OH210703 -0.048 -1.786 -4.159 + 1465TIP3 H110704 -0.103 -1.840 -4.217 + 1465TIP3 H210705 0.032 -1.769 -4.212 + 1466TIP3 OH210706 1.023 -0.568 -2.584 + 1466TIP3 H110707 1.040 -0.527 -2.671 + 1466TIP3 H210708 1.100 -0.536 -2.533 + 1467TIP3 OH210709 -0.172 -1.306 -2.626 + 1467TIP3 H110710 -0.109 -1.288 -2.554 + 1467TIP3 H210711 -0.255 -1.312 -2.576 + 1468TIP3 OH210712 0.382 -1.809 -3.375 + 1468TIP3 H110713 0.456 -1.851 -3.421 + 1468TIP3 H210714 0.367 -1.870 -3.300 + 1469TIP3 OH210715 -0.087 -2.166 -3.762 + 1469TIP3 H110716 -0.140 -2.246 -3.747 + 1469TIP3 H210717 -0.004 -2.203 -3.796 + 1470TIP3 OH210718 0.279 -1.963 -3.150 + 1470TIP3 H110719 0.202 -1.904 -3.148 + 1470TIP3 H210720 0.328 -1.938 -3.070 + 1471TIP3 OH210721 0.290 -1.319 -3.962 + 1471TIP3 H110722 0.216 -1.374 -3.996 + 1471TIP3 H210723 0.275 -1.320 -3.864 + 1472TIP3 OH210724 1.017 -1.408 -3.086 + 1472TIP3 H110725 1.065 -1.355 -3.152 + 1472TIP3 H210726 0.931 -1.421 -3.131 + 1473TIP3 OH210727 0.707 -2.056 -4.175 + 1473TIP3 H110728 0.610 -2.051 -4.189 + 1473TIP3 H210729 0.727 -1.967 -4.138 + 1474TIP3 OH210730 0.453 -1.323 -2.824 + 1474TIP3 H110731 0.422 -1.355 -2.738 + 1474TIP3 H210732 0.422 -1.232 -2.823 + 1475TIP3 OH210733 0.771 -1.862 -3.978 + 1475TIP3 H110734 0.863 -1.874 -3.947 + 1475TIP3 H210735 0.777 -1.781 -4.032 + 1476TIP3 OH210736 -0.193 -1.385 -3.379 + 1476TIP3 H110737 -0.136 -1.396 -3.457 + 1476TIP3 H210738 -0.181 -1.470 -3.334 + 1477TIP3 OH210739 0.538 -1.189 -4.069 + 1477TIP3 H110740 0.508 -1.102 -4.036 + 1477TIP3 H210741 0.463 -1.246 -4.042 + 1478TIP3 OH210742 -0.467 -1.557 -2.850 + 1478TIP3 H110743 -0.451 -1.602 -2.764 + 1478TIP3 H210744 -0.526 -1.619 -2.895 + 1479TIP3 OH210745 0.230 -1.609 -2.653 + 1479TIP3 H110746 0.202 -1.632 -2.743 + 1479TIP3 H210747 0.325 -1.630 -2.658 + 1480TIP3 OH210748 0.685 -1.062 -2.875 + 1480TIP3 H110749 0.588 -1.053 -2.884 + 1480TIP3 H210750 0.697 -1.038 -2.781 + 1481TIP3 OH210751 1.244 -1.852 -3.999 + 1481TIP3 H110752 1.181 -1.870 -4.071 + 1481TIP3 H210753 1.255 -1.757 -4.016 + 1482TIP3 OH210754 1.282 -1.251 -2.722 + 1482TIP3 H110755 1.188 -1.235 -2.743 + 1482TIP3 H210756 1.317 -1.274 -2.810 + 1483TIP3 OH210757 1.068 -0.996 -3.990 + 1483TIP3 H110758 1.033 -1.071 -3.940 + 1483TIP3 H210759 1.096 -1.037 -4.073 + 1484TIP3 OH210760 0.782 -1.465 -3.256 + 1484TIP3 H110761 0.688 -1.480 -3.280 + 1484TIP3 H210762 0.825 -1.537 -3.306 + 1485TIP3 OH210763 0.045 -1.058 -3.654 + 1485TIP3 H110764 0.088 -0.971 -3.665 + 1485TIP3 H210765 -0.047 -1.037 -3.675 + 1486TIP3 OH210766 -0.348 -1.565 -4.201 + 1486TIP3 H110767 -0.292 -1.502 -4.153 + 1486TIP3 H210768 -0.437 -1.545 -4.166 + 1487TIP3 OH210769 0.229 -1.287 -3.688 + 1487TIP3 H110770 0.197 -1.196 -3.676 + 1487TIP3 H210771 0.158 -1.338 -3.646 + 1488TIP3 OH210772 0.244 -0.862 -3.056 + 1488TIP3 H110773 0.301 -0.787 -3.082 + 1488TIP3 H210774 0.304 -0.912 -2.998 + 1489TIP3 OH210775 0.089 -0.766 -3.736 + 1489TIP3 H110776 -0.006 -0.753 -3.724 + 1489TIP3 H210777 0.125 -0.680 -3.707 + 1490TIP3 OH210778 0.586 -1.286 -3.097 + 1490TIP3 H110779 0.556 -1.314 -3.009 + 1490TIP3 H210780 0.658 -1.347 -3.115 + 1491TIP3 OH210781 0.807 -1.154 -4.192 + 1491TIP3 H110782 0.849 -1.204 -4.120 + 1491TIP3 H210783 0.714 -1.166 -4.168 + 1492TIP3 OH210784 0.881 -0.828 -2.858 + 1492TIP3 H110785 0.805 -0.875 -2.896 + 1492TIP3 H210786 0.887 -0.749 -2.914 + 1493TIP3 OH210787 1.292 -0.713 -4.159 + 1493TIP3 H110788 1.361 -0.645 -4.145 + 1493TIP3 H210789 1.212 -0.662 -4.136 + 1494TIP3 OH210790 -0.335 -2.093 -2.892 + 1494TIP3 H110791 -0.426 -2.067 -2.915 + 1494TIP3 H210792 -0.350 -2.179 -2.849 + 1495TIP3 OH210793 0.901 -1.295 -3.968 + 1495TIP3 H110794 0.872 -1.367 -3.908 + 1495TIP3 H210795 0.998 -1.301 -3.958 + 1496TIP3 OH210796 -0.358 -0.919 -3.050 + 1496TIP3 H110797 -0.328 -1.009 -3.033 + 1496TIP3 H210798 -0.336 -0.877 -2.966 + 1497TIP3 OH210799 0.253 -1.053 -4.324 + 1497TIP3 H110800 0.295 -1.135 -4.359 + 1497TIP3 H210801 0.197 -1.089 -4.254 + 1498TIP3 OH210802 0.100 -1.100 -4.069 + 1498TIP3 H110803 0.159 -1.155 -4.016 + 1498TIP3 H210804 0.129 -1.009 -4.047 + 1499TIP3 OH210805 -0.210 -1.363 -4.040 + 1499TIP3 H110806 -0.281 -1.320 -3.988 + 1499TIP3 H210807 -0.157 -1.286 -4.065 + 1500TIP3 OH210808 0.562 -2.110 -3.037 + 1500TIP3 H110809 0.623 -2.080 -2.968 + 1500TIP3 H210810 0.514 -2.183 -2.994 + 1501TIP3 OH210811 0.621 -2.157 -3.919 + 1501TIP3 H110812 0.645 -2.110 -4.001 + 1501TIP3 H210813 0.672 -2.108 -3.853 + 1502TIP3 OH210814 0.402 -0.940 -4.027 + 1502TIP3 H110815 0.325 -0.887 -4.002 + 1502TIP3 H210816 0.454 -0.876 -4.077 + 1503TIP3 OH210817 0.364 -1.964 -3.815 + 1503TIP3 H110818 0.443 -1.908 -3.806 + 1503TIP3 H210819 0.338 -1.979 -3.722 + 1504TIP3 OH210820 0.403 -1.875 -2.901 + 1504TIP3 H110821 0.407 -1.823 -2.819 + 1504TIP3 H210822 0.457 -1.952 -2.877 + 1505TIP3 OH210823 0.429 -2.261 -3.725 + 1505TIP3 H110824 0.409 -2.192 -3.659 + 1505TIP3 H210825 0.501 -2.218 -3.776 + 1506TIP3 OH210826 0.120 -0.820 -4.025 + 1506TIP3 H110827 0.127 -0.733 -4.071 + 1506TIP3 H210828 0.110 -0.793 -3.932 + 1507TIP3 OH210829 0.000 -2.154 -4.078 + 1507TIP3 H110830 -0.006 -2.083 -4.013 + 1507TIP3 H210831 0.077 -2.204 -4.043 + 1508TIP3 OH210832 1.020 -2.073 -2.799 + 1508TIP3 H110833 0.928 -2.064 -2.832 + 1508TIP3 H210834 1.065 -2.092 -2.883 + 1509TIP3 OH210835 0.882 -1.689 -3.409 + 1509TIP3 H110836 0.799 -1.734 -3.435 + 1509TIP3 H210837 0.930 -1.760 -3.361 + 1510TIP3 OH210838 -0.167 -1.064 -4.159 + 1510TIP3 H110839 -0.085 -1.038 -4.113 + 1510TIP3 H210840 -0.127 -1.119 -4.229 + 1511TIP3 OH210841 -0.343 -1.848 -4.254 + 1511TIP3 H110842 -0.327 -1.753 -4.239 + 1511TIP3 H210843 -0.434 -1.849 -4.288 + 1512TIP3 OH210844 0.984 -0.804 -3.271 + 1512TIP3 H110845 0.967 -0.721 -3.320 + 1512TIP3 H210846 1.076 -0.789 -3.244 + 1513TIP3 OH210847 -0.254 -2.353 -3.371 + 1513TIP3 H110848 -0.273 -2.354 -3.467 + 1513TIP3 H210849 -0.290 -2.438 -3.341 + 1514TIP3 OH210850 -0.368 -1.001 -3.747 + 1514TIP3 H110851 -0.446 -0.948 -3.725 + 1514TIP3 H210852 -0.327 -0.950 -3.818 + 1515TIP3 OH210853 -0.425 -0.716 -2.628 + 1515TIP3 H110854 -0.368 -0.751 -2.559 + 1515TIP3 H210855 -0.466 -0.799 -2.660 + 1516TIP3 OH210856 0.465 -0.871 -4.332 + 1516TIP3 H110857 0.386 -0.928 -4.325 + 1516TIP3 H210858 0.532 -0.939 -4.350 + 1517TIP3 OH210859 0.688 -0.979 -2.597 + 1517TIP3 H110860 0.637 -1.047 -2.549 + 1517TIP3 H210861 0.746 -0.946 -2.526 + 1518TIP3 OH210862 0.852 -0.895 -4.288 + 1518TIP3 H110863 0.869 -0.980 -4.246 + 1518TIP3 H210864 0.939 -0.864 -4.317 + 1519TIP3 OH210865 -0.426 -1.342 -2.515 + 1519TIP3 H110866 -0.418 -1.435 -2.541 + 1519TIP3 H210867 -0.505 -1.316 -2.566 + 1520TIP3 OH210868 -0.004 -1.287 -4.306 + 1520TIP3 H110869 0.005 -1.362 -4.246 + 1520TIP3 H210870 0.057 -1.311 -4.377 + 1521TIP3 OH210871 0.246 -1.320 -2.579 + 1521TIP3 H110872 0.189 -1.294 -2.652 + 1521TIP3 H210873 0.235 -1.417 -2.578 + 1522TIP3 OH210874 0.533 -1.183 -4.346 + 1522TIP3 H110875 0.539 -1.184 -4.249 + 1522TIP3 H210876 0.589 -1.257 -4.373 + 1523TIP3 OH210877 0.770 -1.368 -2.843 + 1523TIP3 H110878 0.847 -1.313 -2.862 + 1523TIP3 H210879 0.699 -1.302 -2.842 + 1524TIP3 OH210880 -0.343 -1.630 -2.596 + 1524TIP3 H110881 -0.272 -1.697 -2.597 + 1524TIP3 H210882 -0.347 -1.613 -2.501 + 1525TIP3 OH210883 0.098 -1.500 -4.089 + 1525TIP3 H110884 0.039 -1.549 -4.030 + 1525TIP3 H210885 0.135 -1.571 -4.143 + 1526TIP3 OH210886 0.017 -1.724 -2.863 + 1526TIP3 H110887 -0.027 -1.644 -2.830 + 1526TIP3 H210888 0.088 -1.686 -2.918 + 1527TIP3 OH210889 0.196 -1.702 -4.267 + 1527TIP3 H110890 0.203 -1.712 -4.363 + 1527TIP3 H210891 0.292 -1.689 -4.252 + 1528TIP3 OH210892 0.541 -1.467 -2.506 + 1528TIP3 H110893 0.631 -1.478 -2.539 + 1528TIP3 H210894 0.525 -1.549 -2.458 + 1529TIP3 OH210895 0.081 -1.993 -2.743 + 1529TIP3 H110896 0.089 -2.059 -2.814 + 1529TIP3 H210897 0.060 -1.913 -2.793 + 1530TIP3 OH210898 0.114 -2.147 -2.998 + 1530TIP3 H110899 0.167 -2.094 -3.061 + 1530TIP3 H210900 0.024 -2.142 -3.034 + 1531TIP3 OH210901 0.267 -1.603 -2.957 + 1531TIP3 H110902 0.351 -1.612 -3.003 + 1531TIP3 H210903 0.238 -1.515 -2.986 + 1532TIP3 OH210904 0.732 -1.806 -2.469 + 1532TIP3 H110905 0.749 -1.901 -2.468 + 1532TIP3 H210906 0.820 -1.771 -2.489 + 1533TIP3 OH210907 0.824 -1.528 -2.624 + 1533TIP3 H110908 0.791 -1.468 -2.694 + 1533TIP3 H210909 0.914 -1.546 -2.659 + 1534TIP3 OH210910 -0.101 -1.806 -2.567 + 1534TIP3 H110911 -0.153 -1.888 -2.560 + 1534TIP3 H210912 -0.018 -1.837 -2.605 + 1535TIP3 OH210913 0.185 -2.414 -2.961 + 1535TIP3 H110914 0.170 -2.319 -2.977 + 1535TIP3 H210915 0.116 -2.455 -3.015 + 1536TIP3 OH210916 0.312 -1.957 -2.581 + 1536TIP3 H110917 0.276 -1.979 -2.493 + 1536TIP3 H210918 0.233 -1.975 -2.636 + 1537TIP3 OH210919 0.567 -2.053 -2.695 + 1537TIP3 H110920 0.479 -2.049 -2.654 + 1537TIP3 H210921 0.613 -2.116 -2.638 + 1538TIP3 OH210922 0.746 -2.202 -2.524 + 1538TIP3 H110923 0.737 -2.298 -2.509 + 1538TIP3 H210924 0.734 -2.164 -2.435 + 1539TIP3 OH210925 -0.233 -2.063 -2.577 + 1539TIP3 H110926 -0.239 -2.133 -2.643 + 1539TIP3 H210927 -0.254 -2.111 -2.495 + 1540TIP3 OH210928 0.169 -2.466 -2.680 + 1540TIP3 H110929 0.231 -2.541 -2.674 + 1540TIP3 H210930 0.168 -2.450 -2.776 + 1541TIP3 OH210931 0.264 -2.279 -2.494 + 1541TIP3 H110932 0.234 -2.337 -2.567 + 1541TIP3 H210933 0.196 -2.210 -2.492 + 1542TIP3 OH210934 0.177 -0.572 -4.171 + 1542TIP3 H110935 0.273 -0.561 -4.161 + 1542TIP3 H210936 0.156 -0.512 -4.245 + 1543TIP3 OH210937 -0.441 -1.161 -4.203 + 1543TIP3 H110938 -0.348 -1.132 -4.196 + 1543TIP3 H210939 -0.436 -1.227 -4.274 + 1544TIP3 OH210940 -0.535 -0.616 -3.720 + 1544TIP3 H110941 -0.607 -0.652 -3.775 + 1544TIP3 H210942 -0.528 -0.683 -3.649 + 1545TIP3 OH210943 -0.498 -0.813 -3.520 + 1545TIP3 H110944 -0.528 -0.900 -3.489 + 1545TIP3 H210945 -0.463 -0.778 -3.437 + 1546TIP3 OH210946 1.256 -0.686 -3.220 + 1546TIP3 H110947 1.271 -0.688 -3.124 + 1546TIP3 H210948 1.342 -0.657 -3.252 + 1547TIP3 OH210949 1.245 -0.742 -2.932 + 1547TIP3 H110950 1.194 -0.818 -2.967 + 1547TIP3 H210951 1.301 -0.787 -2.867 + 1548TIP3 OH210952 1.046 -1.200 -2.495 + 1548TIP3 H110953 0.958 -1.191 -2.453 + 1548TIP3 H210954 1.089 -1.116 -2.472 + 1549TIP3 OH210955 1.185 -1.315 -3.931 + 1549TIP3 H110956 1.275 -1.280 -3.918 + 1549TIP3 H210957 1.181 -1.380 -3.858 + 1550TIP3 OH210958 1.229 -1.519 -3.735 + 1550TIP3 H110959 1.159 -1.572 -3.693 + 1550TIP3 H210960 1.292 -1.504 -3.661 + 1551TIP3 OH210961 1.204 -1.266 -3.235 + 1551TIP3 H110962 1.270 -1.311 -3.290 + 1551TIP3 H210963 1.214 -1.174 -3.265 + 1552TIP3 OH210964 1.075 -0.972 -3.009 + 1552TIP3 H110965 1.002 -0.931 -2.959 + 1552TIP3 H210966 1.028 -1.008 -3.087 + 1553TIP3 OH210967 1.262 -1.546 -4.107 + 1553TIP3 H110968 1.198 -1.523 -4.176 + 1553TIP3 H210969 1.240 -1.480 -4.040 + 1554TIP3 OH210970 1.083 -1.810 -4.213 + 1554TIP3 H110971 1.107 -1.734 -4.269 + 1554TIP3 H210972 1.114 -1.884 -4.266 + 1555TIP3 OH210973 1.029 -1.701 -3.648 + 1555TIP3 H110974 1.015 -1.795 -3.668 + 1555TIP3 H210975 0.986 -1.692 -3.560 + 1556TIP3 OH210976 -0.491 -1.479 -3.280 + 1556TIP3 H110977 -0.465 -1.474 -3.373 + 1556TIP3 H210978 -0.404 -1.500 -3.239 + 1557TIP3 OH210979 1.098 -1.516 -2.714 + 1557TIP3 H110980 1.173 -1.577 -2.723 + 1557TIP3 H210981 1.134 -1.435 -2.750 + 1558TIP3 OH210982 1.265 -1.748 -2.608 + 1558TIP3 H110983 1.180 -1.781 -2.644 + 1558TIP3 H210984 1.330 -1.807 -2.648 + 1559TIP3 OH210985 1.007 -2.156 -4.340 + 1559TIP3 H110986 1.057 -2.139 -4.260 + 1559TIP3 H210987 0.914 -2.160 -4.311 + 1560TIP3 OH210988 1.008 -1.945 -3.832 + 1560TIP3 H110989 1.031 -2.041 -3.828 + 1560TIP3 H210990 1.089 -1.909 -3.873 + 1561TIP3 OH210991 1.035 -1.888 -3.288 + 1561TIP3 H110992 1.132 -1.879 -3.288 + 1561TIP3 H210993 1.018 -1.890 -3.192 + 1562TIP3 OH210994 1.050 -1.818 -3.002 + 1562TIP3 H110995 0.964 -1.778 -2.980 + 1562TIP3 H210996 1.104 -1.740 -3.027 + 1563TIP3 OH210997 -0.500 -1.944 -2.645 + 1563TIP3 H110998 -0.406 -1.967 -2.633 + 1563TIP3 H210999 -0.543 -2.030 -2.632 + 1564TIP3 OH211000 1.297 -2.396 -2.488 + 1564TIP3 H111001 1.343 -2.463 -2.541 + 1564TIP3 H211002 1.310 -2.315 -2.541 + 1565TIP3 OH211003 1.057 -2.219 -3.826 + 1565TIP3 H111004 1.066 -2.260 -3.738 + 1565TIP3 H211005 0.983 -2.271 -3.863 + 1566TIP3 OH211006 -0.423 -2.110 -3.359 + 1566TIP3 H111007 -0.376 -2.195 -3.352 + 1566TIP3 H211008 -0.354 -2.049 -3.325 + 1567TIP3 OH211009 -0.569 -1.842 -3.255 + 1567TIP3 H111010 -0.510 -1.846 -3.333 + 1567TIP3 H211011 -0.531 -1.766 -3.209 + 1568TIP3 OH211012 1.266 -2.176 -2.646 + 1568TIP3 H111013 1.177 -2.138 -2.646 + 1568TIP3 H211014 1.267 -2.224 -2.730 + 1569TIP3 OH211015 1.262 -2.183 -4.171 + 1569TIP3 H111016 1.281 -2.253 -4.234 + 1569TIP3 H211017 1.344 -2.132 -4.172 + 1570TIP3 OH211018 -0.519 -2.208 -3.852 + 1570TIP3 H111019 -0.614 -2.206 -3.872 + 1570TIP3 H211020 -0.481 -2.148 -3.920 + 1571TIP3 OH211021 0.942 -0.683 -3.642 + 1571TIP3 H111022 0.992 -0.710 -3.721 + 1571TIP3 H211023 1.012 -0.645 -3.586 + 1572TIP3 OH211024 -0.515 -2.321 -3.035 + 1572TIP3 H111025 -0.585 -2.346 -2.974 + 1572TIP3 H211026 -0.564 -2.267 -3.100 + 1573TIP3 OH211027 -0.314 -0.996 -2.560 + 1573TIP3 H111028 -0.375 -1.015 -2.633 + 1573TIP3 H211029 -0.365 -1.026 -2.483 + 1574TIP3 OH211030 -0.032 -0.911 -2.993 + 1574TIP3 H111031 -0.062 -0.826 -3.029 + 1574TIP3 H211032 0.064 -0.903 -3.011 + 1575TIP3 OH211033 0.422 -0.790 -2.668 + 1575TIP3 H111034 0.443 -0.814 -2.577 + 1575TIP3 H211035 0.503 -0.745 -2.696 + 1576TIP3 OH211036 0.643 -0.642 -2.768 + 1576TIP3 H111037 0.711 -0.707 -2.791 + 1576TIP3 H211038 0.674 -0.611 -2.681 + 1577TIP3 OH211039 1.134 -2.375 -2.849 + 1577TIP3 H111040 1.056 -2.352 -2.901 + 1577TIP3 H211041 1.158 -2.463 -2.884 + 1578TIP3 OH211042 -0.295 -0.619 -2.968 + 1578TIP3 H111043 -0.354 -0.553 -3.010 + 1578TIP3 H211044 -0.324 -0.610 -2.876 + 1579TIP3 OH211045 -0.046 -0.643 -3.112 + 1579TIP3 H111046 -0.130 -0.623 -3.068 + 1579TIP3 H211047 -0.041 -0.572 -3.179 + 1580TIP3 OH211048 0.431 -0.640 -3.156 + 1580TIP3 H111049 0.392 -0.594 -3.232 + 1580TIP3 H211050 0.437 -0.567 -3.091 + 1581TIP3 OH211051 0.664 -0.768 -3.064 + 1581TIP3 H111052 0.579 -0.733 -3.096 + 1581TIP3 H211053 0.719 -0.688 -3.065 + 1582TIP3 OH211054 0.917 -0.594 -3.044 + 1582TIP3 H111055 0.911 -0.499 -3.067 + 1582TIP3 H211056 0.944 -0.632 -3.130 + 1583TIP3 OH211057 -0.337 -0.738 -3.273 + 1583TIP3 H111058 -0.338 -0.785 -3.186 + 1583TIP3 H211059 -0.260 -0.781 -3.314 + 1584TIP3 OH211060 -0.133 -0.862 -3.430 + 1584TIP3 H111061 -0.149 -0.954 -3.402 + 1584TIP3 H211062 -0.043 -0.847 -3.396 + 1585TIP3 OH211063 0.141 -0.816 -3.340 + 1585TIP3 H111064 0.160 -0.910 -3.361 + 1585TIP3 H211065 0.149 -0.818 -3.243 + 1586TIP3 OH211066 0.475 -2.227 -3.408 + 1586TIP3 H111067 0.405 -2.295 -3.395 + 1586TIP3 H211068 0.535 -2.272 -3.470 + 1587TIP3 OH211069 0.970 -2.427 -3.364 + 1587TIP3 H111070 1.045 -2.380 -3.403 + 1587TIP3 H211071 0.895 -2.394 -3.417 + 1588TIP3 OH211072 1.179 -2.316 -3.575 + 1588TIP3 H111073 1.249 -2.356 -3.629 + 1588TIP3 H211074 1.206 -2.224 -3.567 + 1589TIP3 OH211075 -0.290 -2.355 -3.652 + 1589TIP3 H111076 -0.376 -2.367 -3.697 + 1589TIP3 H211077 -0.248 -2.441 -3.669 + 1590TIP3 OH211078 -0.410 -2.399 -4.081 + 1590TIP3 H111079 -0.351 -2.335 -4.126 + 1590TIP3 H211080 -0.444 -2.345 -4.007 + 1591TIP3 OH211081 0.157 -2.376 -3.664 + 1591TIP3 H111082 0.245 -2.340 -3.681 + 1591TIP3 H211083 0.157 -2.382 -3.568 + 1592TIP3 OH211084 0.718 -2.368 -3.523 + 1592TIP3 H111085 0.741 -2.381 -3.616 + 1592TIP3 H211086 0.679 -2.454 -3.500 + 1593TIP3 OH211087 0.826 -2.361 -3.914 + 1593TIP3 H111088 0.747 -2.312 -3.944 + 1593TIP3 H211089 0.794 -2.452 -3.924 + 1594TIP3 OH211090 -0.403 -0.810 -3.966 + 1594TIP3 H111091 -0.475 -0.811 -4.032 + 1594TIP3 H211092 -0.404 -0.717 -3.940 + 1595TIP3 OH211093 -0.243 -2.230 -4.228 + 1595TIP3 H111094 -0.186 -2.284 -4.284 + 1595TIP3 H211095 -0.178 -2.177 -4.180 + 1596TIP3 OH211096 0.263 -2.211 -3.955 + 1596TIP3 H111097 0.309 -2.262 -3.887 + 1596TIP3 H211098 0.294 -2.122 -3.931 + 1597TIP3 OH211099 0.473 -0.645 -4.148 + 1597TIP3 H111100 0.571 -0.634 -4.150 + 1597TIP3 H211101 0.464 -0.709 -4.221 + 1598TIP3 OH211102 1.137 -0.727 -3.884 + 1598TIP3 H111103 1.108 -0.811 -3.925 + 1598TIP3 H211104 1.114 -0.662 -3.953 + 1599TIP3 OH211105 -0.311 -2.333 -2.702 + 1599TIP3 H111106 -0.350 -2.414 -2.664 + 1599TIP3 H211107 -0.218 -2.343 -2.674 + 1600TIP3 OH211108 -0.073 -2.394 -2.529 + 1600TIP3 H111109 0.010 -2.427 -2.568 + 1600TIP3 H211110 -0.105 -2.474 -2.485 + 1601TIP3 OH211111 -0.204 -0.702 -4.231 + 1601TIP3 H111112 -0.243 -0.681 -4.146 + 1601TIP3 H211113 -0.137 -0.768 -4.209 + 1602TIP3 OH211114 0.741 -2.482 -2.510 + 1602TIP3 H111115 0.744 -2.524 -2.422 + 1602TIP3 H211116 0.835 -2.486 -2.536 + 1603TIP3 OH211117 1.074 -0.851 -2.638 + 1603TIP3 H111118 1.001 -0.869 -2.700 + 1603TIP3 H211119 1.059 -0.757 -2.619 + 1604TIP3 OH211120 2.494 -1.482 -3.627 + 1604TIP3 H111121 2.496 -1.385 -3.619 + 1604TIP3 H211122 2.422 -1.493 -3.691 + 1605TIP3 OH211123 2.380 -1.534 -3.320 + 1605TIP3 H111124 2.385 -1.588 -3.239 + 1605TIP3 H211125 2.361 -1.601 -3.387 + 1606TIP3 OH211126 1.633 -1.596 -3.152 + 1606TIP3 H111127 1.622 -1.672 -3.088 + 1606TIP3 H211128 1.690 -1.540 -3.097 + 1607TIP3 OH211129 2.750 -1.252 -3.478 + 1607TIP3 H111130 2.719 -1.326 -3.425 + 1607TIP3 H211131 2.783 -1.192 -3.410 + 1608TIP3 OH211132 1.696 -1.118 -3.311 + 1608TIP3 H111133 1.669 -1.208 -3.334 + 1608TIP3 H211134 1.786 -1.132 -3.278 + 1609TIP3 OH211135 1.404 -1.767 -3.758 + 1609TIP3 H111136 1.350 -1.686 -3.753 + 1609TIP3 H211137 1.340 -1.829 -3.796 + 1610TIP3 OH211138 1.455 -1.528 -3.568 + 1610TIP3 H111139 1.484 -1.611 -3.526 + 1610TIP3 H211140 1.537 -1.493 -3.606 + 1611TIP3 OH211141 2.455 -0.727 -3.432 + 1611TIP3 H111142 2.513 -0.798 -3.464 + 1611TIP3 H211143 2.429 -0.760 -3.345 + 1612TIP3 OH211144 2.233 -1.287 -3.265 + 1612TIP3 H111145 2.270 -1.359 -3.319 + 1612TIP3 H211146 2.312 -1.268 -3.211 + 1613TIP3 OH211147 3.075 -2.143 -3.184 + 1613TIP3 H111148 3.116 -2.080 -3.123 + 1613TIP3 H211149 3.128 -2.128 -3.264 + 1614TIP3 OH211150 2.563 -1.853 -3.213 + 1614TIP3 H111151 2.572 -1.949 -3.206 + 1614TIP3 H211152 2.552 -1.841 -3.309 + 1615TIP3 OH211153 1.861 -2.038 -3.515 + 1615TIP3 H111154 1.855 -1.964 -3.576 + 1615TIP3 H211155 1.831 -2.109 -3.575 + 1616TIP3 OH211156 2.641 -2.034 -3.673 + 1616TIP3 H111157 2.699 -2.078 -3.607 + 1616TIP3 H211158 2.707 -1.992 -3.730 + 1617TIP3 OH211159 1.560 -1.770 -3.474 + 1617TIP3 H111160 1.593 -1.824 -3.399 + 1617TIP3 H211161 1.516 -1.837 -3.529 + 1618TIP3 OH211162 2.018 -1.665 -3.543 + 1618TIP3 H111163 2.108 -1.670 -3.506 + 1618TIP3 H211164 2.001 -1.758 -3.552 + 1619TIP3 OH211165 3.120 -2.015 -2.928 + 1619TIP3 H111166 3.115 -1.926 -2.968 + 1619TIP3 H211167 3.168 -1.997 -2.845 + 1620TIP3 OH211168 1.719 -2.161 -3.067 + 1620TIP3 H111169 1.681 -2.110 -3.140 + 1620TIP3 H211170 1.657 -2.139 -2.996 + 1621TIP3 OH211171 2.477 -1.203 -3.748 + 1621TIP3 H111172 2.462 -1.215 -3.842 + 1621TIP3 H211173 2.443 -1.113 -3.732 + 1622TIP3 OH211174 2.029 -1.385 -3.079 + 1622TIP3 H111175 1.956 -1.326 -3.050 + 1622TIP3 H211176 2.092 -1.321 -3.118 + 1623TIP3 OH211177 2.823 -2.109 -3.469 + 1623TIP3 H111178 2.791 -2.172 -3.403 + 1623TIP3 H211179 2.878 -2.050 -3.415 + 1624TIP3 OH211180 1.695 -1.967 -3.300 + 1624TIP3 H111181 1.754 -1.916 -3.240 + 1624TIP3 H211182 1.760 -2.004 -3.363 + 1625TIP3 OH211183 1.828 -1.197 -3.011 + 1625TIP3 H111184 1.825 -1.101 -3.030 + 1625TIP3 H211185 1.745 -1.208 -2.962 + 1626TIP3 OH211186 1.460 -1.228 -3.918 + 1626TIP3 H111187 1.444 -1.189 -4.006 + 1626TIP3 H211188 1.475 -1.151 -3.861 + 1627TIP3 OH211189 2.811 -1.089 -3.219 + 1627TIP3 H111190 2.717 -1.065 -3.222 + 1627TIP3 H211191 2.853 -1.003 -3.239 + 1628TIP3 OH211192 2.148 -2.421 -3.380 + 1628TIP3 H111193 2.126 -2.516 -3.383 + 1628TIP3 H211194 2.068 -2.383 -3.339 + 1629TIP3 OH211195 2.635 -0.886 -3.584 + 1629TIP3 H111196 2.683 -0.967 -3.613 + 1629TIP3 H211197 2.704 -0.819 -3.593 + 1630TIP3 OH211198 2.777 -1.098 -3.717 + 1630TIP3 H111199 2.737 -1.151 -3.788 + 1630TIP3 H211200 2.777 -1.161 -3.643 + 1631TIP3 OH211201 2.365 -1.530 -3.904 + 1631TIP3 H111202 2.299 -1.470 -3.942 + 1631TIP3 H211203 2.438 -1.522 -3.968 + 1632TIP3 OH211204 2.382 -1.708 -4.205 + 1632TIP3 H111205 2.451 -1.675 -4.144 + 1632TIP3 H211206 2.435 -1.768 -4.261 + 1633TIP3 OH211207 3.099 -1.602 -3.075 + 1633TIP3 H111208 3.034 -1.529 -3.065 + 1633TIP3 H211209 3.151 -1.568 -3.150 + 1634TIP3 OH211210 2.711 -1.531 -3.794 + 1634TIP3 H111211 2.645 -1.510 -3.725 + 1634TIP3 H211212 2.774 -1.585 -3.743 + 1635TIP3 OH211213 2.702 -1.701 -2.901 + 1635TIP3 H111214 2.686 -1.637 -2.830 + 1635TIP3 H211215 2.635 -1.673 -2.966 + 1636TIP3 OH211216 2.005 -1.118 -3.342 + 1636TIP3 H111217 2.008 -1.146 -3.434 + 1636TIP3 H211218 2.087 -1.157 -3.306 + 1637TIP3 OH211219 1.927 -1.556 -3.277 + 1637TIP3 H111220 2.000 -1.563 -3.341 + 1637TIP3 H211221 1.967 -1.507 -3.203 + 1638TIP3 OH211222 2.522 -1.018 -3.211 + 1638TIP3 H111223 2.530 -0.950 -3.142 + 1638TIP3 H211224 2.507 -1.101 -3.161 + 1639TIP3 OH211225 2.016 -1.138 -2.786 + 1639TIP3 H111226 1.966 -1.073 -2.732 + 1639TIP3 H211227 1.949 -1.165 -2.851 + 1640TIP3 OH211228 2.620 -1.582 -4.057 + 1640TIP3 H111229 2.663 -1.557 -3.973 + 1640TIP3 H211230 2.681 -1.541 -4.122 + 1641TIP3 OH211231 1.698 -1.479 -2.887 + 1641TIP3 H111232 1.710 -1.444 -2.798 + 1641TIP3 H211233 1.616 -1.530 -2.878 + 1642TIP3 OH211234 2.350 -0.925 -3.693 + 1642TIP3 H111235 2.405 -0.898 -3.619 + 1642TIP3 H211236 2.307 -0.842 -3.720 + 1643TIP3 OH211237 1.825 -0.920 -2.701 + 1643TIP3 H111238 1.812 -0.919 -2.798 + 1643TIP3 H211239 1.737 -0.948 -2.668 + 1644TIP3 OH211240 2.957 -2.411 -4.042 + 1644TIP3 H111241 2.862 -2.395 -4.025 + 1644TIP3 H211242 2.977 -2.340 -4.104 + 1645TIP3 OH211243 3.066 -0.987 -4.247 + 1645TIP3 H111244 3.100 -0.905 -4.207 + 1645TIP3 H211245 3.143 -1.047 -4.243 + 1646TIP3 OH211246 1.371 -1.306 -2.992 + 1646TIP3 H111247 1.325 -1.310 -3.078 + 1646TIP3 H211248 1.382 -1.400 -2.970 + 1647TIP3 OH211249 1.377 -1.017 -3.298 + 1647TIP3 H111250 1.469 -1.045 -3.289 + 1647TIP3 H211251 1.368 -0.957 -3.222 + 1648TIP3 OH211252 2.278 -1.033 -2.841 + 1648TIP3 H111253 2.287 -0.952 -2.788 + 1648TIP3 H211254 2.189 -1.064 -2.816 + 1649TIP3 OH211255 2.309 -0.654 -3.847 + 1649TIP3 H111256 2.310 -0.643 -3.943 + 1649TIP3 H211257 2.314 -0.563 -3.814 + 1650TIP3 OH211258 1.687 -0.740 -3.681 + 1650TIP3 H111259 1.705 -0.784 -3.595 + 1650TIP3 H211260 1.602 -0.779 -3.704 + 1651TIP3 OH211261 2.633 -0.691 -4.135 + 1651TIP3 H111262 2.678 -0.749 -4.201 + 1651TIP3 H211263 2.636 -0.747 -4.056 + 1652TIP3 OH211264 2.582 -0.766 -3.862 + 1652TIP3 H111265 2.489 -0.749 -3.839 + 1652TIP3 H211266 2.605 -0.833 -3.796 + 1653TIP3 OH211267 2.897 -1.824 -2.683 + 1653TIP3 H111268 2.827 -1.792 -2.743 + 1653TIP3 H211269 2.904 -1.917 -2.704 + 1654TIP3 OH211270 1.589 -1.154 -2.865 + 1654TIP3 H111271 1.618 -1.201 -2.785 + 1654TIP3 H211272 1.518 -1.211 -2.899 + 1655TIP3 OH211273 1.904 -2.296 -3.286 + 1655TIP3 H111274 1.819 -2.309 -3.332 + 1655TIP3 H211275 1.879 -2.230 -3.220 + 1656TIP3 OH211276 2.348 -2.348 -2.929 + 1656TIP3 H111277 2.399 -2.398 -2.862 + 1656TIP3 H211278 2.257 -2.377 -2.913 + 1657TIP3 OH211279 2.839 -1.503 -4.249 + 1657TIP3 H111280 2.799 -1.521 -4.336 + 1657TIP3 H211281 2.874 -1.414 -4.266 + 1658TIP3 OH211282 2.329 -2.112 -4.216 + 1658TIP3 H111283 2.274 -2.108 -4.137 + 1658TIP3 H211284 2.284 -2.181 -4.267 + 1659TIP3 OH211285 1.881 -1.835 -3.137 + 1659TIP3 H111286 1.819 -1.833 -3.061 + 1659TIP3 H211287 1.880 -1.742 -3.166 + 1660TIP3 OH211288 2.454 -1.769 -3.787 + 1660TIP3 H111289 2.416 -1.685 -3.820 + 1660TIP3 H211290 2.522 -1.787 -3.855 + 1661TIP3 OH211291 2.369 -1.745 -2.649 + 1661TIP3 H111292 2.318 -1.820 -2.612 + 1661TIP3 H211293 2.456 -1.758 -2.606 + 1662TIP3 OH211294 2.528 -1.827 -3.504 + 1662TIP3 H111295 2.505 -1.769 -3.580 + 1662TIP3 H211296 2.553 -1.908 -3.553 + 1663TIP3 OH211297 2.003 -2.073 -4.315 + 1663TIP3 H111298 1.968 -2.098 -4.227 + 1663TIP3 H211299 1.928 -2.021 -4.350 + 1664TIP3 OH211300 1.342 -2.043 -3.607 + 1664TIP3 H111301 1.381 -2.077 -3.524 + 1664TIP3 H211302 1.366 -2.109 -3.674 + 1665TIP3 OH211303 1.474 -2.021 -4.037 + 1665TIP3 H111304 1.526 -1.972 -4.104 + 1665TIP3 H211305 1.403 -1.958 -4.019 + 1666TIP3 OH211306 2.444 -1.657 -3.061 + 1666TIP3 H111307 2.488 -1.730 -3.109 + 1666TIP3 H211308 2.410 -1.704 -2.983 + 1667TIP3 OH211309 2.167 -2.062 -3.556 + 1667TIP3 H111310 2.073 -2.072 -3.532 + 1667TIP3 H211311 2.211 -2.084 -3.472 + 1668TIP3 OH211312 1.660 -1.903 -3.711 + 1668TIP3 H111313 1.565 -1.899 -3.734 + 1668TIP3 H211314 1.684 -1.993 -3.743 + 1669TIP3 OH211315 1.965 -1.857 -3.887 + 1669TIP3 H111316 2.057 -1.889 -3.891 + 1669TIP3 H211317 1.942 -1.844 -3.981 + 1670TIP3 OH211318 2.620 -2.164 -3.248 + 1670TIP3 H111319 2.559 -2.154 -3.172 + 1670TIP3 H211320 2.559 -2.191 -3.319 + 1671TIP3 OH211321 1.854 -1.802 -4.149 + 1671TIP3 H111322 1.784 -1.839 -4.206 + 1671TIP3 H211323 1.920 -1.772 -4.213 + 1672TIP3 OH211324 2.905 -0.592 -2.589 + 1672TIP3 H111325 2.932 -0.555 -2.674 + 1672TIP3 H211326 2.972 -0.556 -2.529 + 1673TIP3 OH211327 1.697 -1.304 -2.645 + 1673TIP3 H111328 1.765 -1.299 -2.575 + 1673TIP3 H211329 1.617 -1.313 -2.590 + 1674TIP3 OH211330 2.252 -1.796 -3.388 + 1674TIP3 H111331 2.329 -1.838 -3.430 + 1674TIP3 H211332 2.239 -1.852 -3.309 + 1675TIP3 OH211333 1.798 -2.164 -3.757 + 1675TIP3 H111334 1.738 -2.240 -3.744 + 1675TIP3 H211335 1.878 -2.208 -3.791 + 1676TIP3 OH211336 2.169 -1.952 -3.153 + 1676TIP3 H111337 2.085 -1.903 -3.145 + 1676TIP3 H211338 2.213 -1.930 -3.068 + 1677TIP3 OH211339 2.176 -1.324 -3.957 + 1677TIP3 H111340 2.102 -1.375 -3.995 + 1677TIP3 H211341 2.158 -1.328 -3.861 + 1678TIP3 OH211342 2.906 -1.397 -3.073 + 1678TIP3 H111343 2.957 -1.338 -3.133 + 1678TIP3 H211344 2.823 -1.406 -3.123 + 1679TIP3 OH211345 2.596 -2.048 -4.183 + 1679TIP3 H111346 2.498 -2.048 -4.187 + 1679TIP3 H211347 2.618 -1.971 -4.127 + 1680TIP3 OH211348 2.349 -1.323 -2.829 + 1680TIP3 H111349 2.319 -1.358 -2.744 + 1680TIP3 H211350 2.316 -1.232 -2.827 + 1681TIP3 OH211351 2.656 -1.862 -3.988 + 1681TIP3 H111352 2.743 -1.880 -3.946 + 1681TIP3 H211353 2.672 -1.775 -4.030 + 1682TIP3 OH211354 1.712 -1.424 -3.425 + 1682TIP3 H111355 1.804 -1.397 -3.434 + 1682TIP3 H211356 1.718 -1.482 -3.347 + 1683TIP3 OH211357 2.424 -1.189 -4.067 + 1683TIP3 H111358 2.394 -1.101 -4.038 + 1683TIP3 H211359 2.346 -1.243 -4.041 + 1684TIP3 OH211360 1.396 -1.547 -2.836 + 1684TIP3 H111361 1.443 -1.596 -2.765 + 1684TIP3 H211362 1.371 -1.618 -2.897 + 1685TIP3 OH211363 2.117 -1.601 -2.652 + 1685TIP3 H111364 2.068 -1.638 -2.728 + 1685TIP3 H211365 2.207 -1.636 -2.668 + 1686TIP3 OH211366 2.579 -1.059 -2.871 + 1686TIP3 H111367 2.485 -1.053 -2.896 + 1686TIP3 H211368 2.573 -1.033 -2.776 + 1687TIP3 OH211369 3.126 -1.850 -3.998 + 1687TIP3 H111370 3.065 -1.871 -4.071 + 1687TIP3 H211371 3.139 -1.755 -4.017 + 1688TIP3 OH211372 2.946 -0.997 -3.991 + 1688TIP3 H111373 2.925 -1.076 -3.940 + 1688TIP3 H211374 2.985 -1.034 -4.072 + 1689TIP3 OH211375 2.674 -1.466 -3.244 + 1689TIP3 H111376 2.582 -1.480 -3.272 + 1689TIP3 H211377 2.720 -1.534 -3.297 + 1690TIP3 OH211378 1.929 -1.061 -3.653 + 1690TIP3 H111379 1.976 -0.977 -3.664 + 1690TIP3 H211380 1.839 -1.035 -3.675 + 1691TIP3 OH211381 1.543 -1.556 -4.197 + 1691TIP3 H111382 1.596 -1.499 -4.137 + 1691TIP3 H211383 1.452 -1.538 -4.167 + 1692TIP3 OH211384 2.091 -1.308 -3.684 + 1692TIP3 H111385 2.076 -1.212 -3.674 + 1692TIP3 H211386 2.012 -1.344 -3.643 + 1693TIP3 OH211387 2.131 -0.862 -3.056 + 1693TIP3 H111388 2.187 -0.786 -3.082 + 1693TIP3 H211389 2.191 -0.911 -2.998 + 1694TIP3 OH211390 1.975 -0.767 -3.733 + 1694TIP3 H111391 1.879 -0.752 -3.724 + 1694TIP3 H211392 2.011 -0.680 -3.707 + 1695TIP3 OH211393 2.478 -1.286 -3.090 + 1695TIP3 H111394 2.445 -1.317 -3.004 + 1695TIP3 H211395 2.549 -1.350 -3.109 + 1696TIP3 OH211396 2.686 -1.161 -4.195 + 1696TIP3 H111397 2.737 -1.201 -4.122 + 1696TIP3 H211398 2.597 -1.169 -4.158 + 1697TIP3 OH211399 2.805 -0.869 -2.844 + 1697TIP3 H111400 2.720 -0.893 -2.885 + 1697TIP3 H211401 2.818 -0.779 -2.879 + 1698TIP3 OH211402 3.175 -0.714 -4.158 + 1698TIP3 H111403 3.246 -0.646 -4.146 + 1698TIP3 H211404 3.096 -0.661 -4.138 + 1699TIP3 OH211405 2.785 -1.296 -3.965 + 1699TIP3 H111406 2.760 -1.369 -3.906 + 1699TIP3 H211407 2.882 -1.300 -3.961 + 1700TIP3 OH211408 1.529 -0.919 -3.051 + 1700TIP3 H111409 1.555 -1.009 -3.029 + 1700TIP3 H211410 1.547 -0.874 -2.967 + 1701TIP3 OH211411 2.136 -1.054 -4.327 + 1701TIP3 H111412 2.175 -1.139 -4.355 + 1701TIP3 H211413 2.081 -1.083 -4.252 + 1702TIP3 OH211414 1.992 -1.099 -4.074 + 1702TIP3 H111415 2.048 -1.151 -4.015 + 1702TIP3 H211416 2.013 -1.007 -4.049 + 1703TIP3 OH211417 1.680 -1.383 -4.014 + 1703TIP3 H111418 1.607 -1.334 -3.972 + 1703TIP3 H211419 1.730 -1.311 -4.055 + 1704TIP3 OH211420 2.481 -2.104 -3.013 + 1704TIP3 H111421 2.498 -2.081 -2.920 + 1704TIP3 H211422 2.408 -2.167 -3.003 + 1705TIP3 OH211423 2.504 -2.151 -3.921 + 1705TIP3 H111424 2.538 -2.104 -3.999 + 1705TIP3 H211425 2.559 -2.114 -3.851 + 1706TIP3 OH211426 2.288 -0.941 -4.028 + 1706TIP3 H111427 2.211 -0.887 -4.003 + 1706TIP3 H211428 2.341 -0.875 -4.075 + 1707TIP3 OH211429 2.244 -1.965 -3.818 + 1707TIP3 H111430 2.324 -1.910 -3.810 + 1707TIP3 H211431 2.222 -1.983 -3.725 + 1708TIP3 OH211432 2.291 -1.877 -2.904 + 1708TIP3 H111433 2.284 -1.822 -2.824 + 1708TIP3 H211434 2.352 -1.945 -2.875 + 1709TIP3 OH211435 2.315 -2.261 -3.724 + 1709TIP3 H111436 2.296 -2.194 -3.656 + 1709TIP3 H211437 2.387 -2.218 -3.773 + 1710TIP3 OH211438 2.007 -0.821 -4.025 + 1710TIP3 H111439 2.012 -0.736 -4.073 + 1710TIP3 H211440 1.995 -0.792 -3.933 + 1711TIP3 OH211441 1.889 -2.146 -4.077 + 1711TIP3 H111442 1.872 -2.081 -4.009 + 1711TIP3 H211443 1.964 -2.196 -4.040 + 1712TIP3 OH211444 2.764 -1.687 -3.410 + 1712TIP3 H111445 2.682 -1.733 -3.436 + 1712TIP3 H211446 2.815 -1.758 -3.365 + 1713TIP3 OH211447 1.716 -1.074 -4.154 + 1713TIP3 H111448 1.797 -1.044 -4.111 + 1713TIP3 H211449 1.754 -1.127 -4.226 + 1714TIP3 OH211450 1.546 -1.843 -4.250 + 1714TIP3 H111451 1.557 -1.747 -4.238 + 1714TIP3 H211452 1.458 -1.847 -4.292 + 1715TIP3 OH211453 2.891 -0.797 -3.253 + 1715TIP3 H111454 2.862 -0.724 -3.311 + 1715TIP3 H211455 2.987 -0.778 -3.250 + 1716TIP3 OH211456 1.636 -2.354 -3.370 + 1716TIP3 H111457 1.612 -2.357 -3.465 + 1716TIP3 H211458 1.598 -2.438 -3.337 + 1717TIP3 OH211459 1.520 -1.002 -3.746 + 1717TIP3 H111460 1.440 -0.952 -3.724 + 1717TIP3 H211461 1.557 -0.950 -3.820 + 1718TIP3 OH211462 1.454 -0.710 -2.624 + 1718TIP3 H111463 1.515 -0.738 -2.553 + 1718TIP3 H211464 1.418 -0.796 -2.653 + 1719TIP3 OH211465 1.929 -0.804 -2.452 + 1719TIP3 H111466 1.997 -0.868 -2.426 + 1719TIP3 H211467 1.907 -0.833 -2.542 + 1720TIP3 OH211468 2.351 -0.870 -4.331 + 1720TIP3 H111469 2.271 -0.927 -4.326 + 1720TIP3 H211470 2.418 -0.937 -4.352 + 1721TIP3 OH211471 2.580 -0.988 -2.602 + 1721TIP3 H111472 2.535 -1.060 -2.554 + 1721TIP3 H211473 2.646 -0.956 -2.537 + 1722TIP3 OH211474 2.735 -0.897 -4.288 + 1722TIP3 H111475 2.763 -0.978 -4.244 + 1722TIP3 H211476 2.819 -0.856 -4.318 + 1723TIP3 OH211477 1.452 -1.352 -2.512 + 1723TIP3 H111478 1.469 -1.440 -2.549 + 1723TIP3 H211479 1.380 -1.321 -2.570 + 1724TIP3 OH211480 1.882 -1.291 -4.302 + 1724TIP3 H111481 1.899 -1.366 -4.244 + 1724TIP3 H211482 1.944 -1.305 -4.374 + 1725TIP3 OH211483 2.121 -1.329 -2.584 + 1725TIP3 H111484 2.087 -1.299 -2.669 + 1725TIP3 H211485 2.127 -1.427 -2.597 + 1726TIP3 OH211486 2.411 -1.190 -4.347 + 1726TIP3 H111487 2.429 -1.178 -4.252 + 1726TIP3 H211488 2.477 -1.256 -4.372 + 1727TIP3 OH211489 2.680 -1.338 -2.830 + 1727TIP3 H111490 2.746 -1.311 -2.894 + 1727TIP3 H211491 2.607 -1.276 -2.847 + 1728TIP3 OH211492 1.547 -1.619 -2.601 + 1728TIP3 H111493 1.610 -1.691 -2.618 + 1728TIP3 H211494 1.538 -1.624 -2.505 + 1729TIP3 OH211495 1.988 -1.505 -4.079 + 1729TIP3 H111496 1.922 -1.555 -4.030 + 1729TIP3 H211497 2.024 -1.572 -4.140 + 1730TIP3 OH211498 1.928 -1.715 -2.835 + 1730TIP3 H111499 1.842 -1.670 -2.834 + 1730TIP3 H211500 1.969 -1.681 -2.916 + 1731TIP3 OH211501 2.104 -1.684 -4.275 + 1731TIP3 H111502 2.109 -1.712 -4.367 + 1731TIP3 H211503 2.199 -1.688 -4.250 + 1732TIP3 OH211504 2.437 -1.452 -2.502 + 1732TIP3 H111505 2.529 -1.471 -2.525 + 1732TIP3 H211506 2.410 -1.534 -2.459 + 1733TIP3 OH211507 1.973 -1.991 -2.741 + 1733TIP3 H111508 1.969 -2.059 -2.810 + 1733TIP3 H211509 1.941 -1.912 -2.788 + 1734TIP3 OH211510 1.997 -2.152 -3.003 + 1734TIP3 H111511 2.044 -2.092 -3.063 + 1734TIP3 H211512 1.903 -2.136 -3.023 + 1735TIP3 OH211513 2.160 -1.604 -2.966 + 1735TIP3 H111514 2.246 -1.605 -3.011 + 1735TIP3 H211515 2.127 -1.515 -2.987 + 1736TIP3 OH211516 2.614 -1.807 -2.483 + 1736TIP3 H111517 2.629 -1.900 -2.457 + 1736TIP3 H211518 2.703 -1.770 -2.477 + 1737TIP3 OH211519 2.720 -1.537 -2.650 + 1737TIP3 H111520 2.685 -1.464 -2.705 + 1737TIP3 H211521 2.814 -1.530 -2.674 + 1738TIP3 OH211522 1.792 -1.825 -2.549 + 1738TIP3 H111523 1.724 -1.892 -2.570 + 1738TIP3 H211524 1.861 -1.848 -2.612 + 1739TIP3 OH211525 2.075 -2.413 -2.964 + 1739TIP3 H111526 2.053 -2.319 -2.978 + 1739TIP3 H211527 2.003 -2.456 -3.014 + 1740TIP3 OH211528 2.212 -1.962 -2.590 + 1740TIP3 H111529 2.179 -1.985 -2.501 + 1740TIP3 H211530 2.130 -1.979 -2.641 + 1741TIP3 OH211531 2.470 -2.051 -2.726 + 1741TIP3 H111532 2.386 -2.035 -2.679 + 1741TIP3 H211533 2.520 -2.101 -2.659 + 1742TIP3 OH211534 2.636 -2.202 -2.529 + 1742TIP3 H111535 2.618 -2.296 -2.512 + 1742TIP3 H211536 2.613 -2.160 -2.444 + 1743TIP3 OH211537 1.633 -2.061 -2.577 + 1743TIP3 H111538 1.610 -2.125 -2.646 + 1743TIP3 H211539 1.608 -2.109 -2.496 + 1744TIP3 OH211540 2.055 -2.466 -2.681 + 1744TIP3 H111541 2.115 -2.542 -2.674 + 1744TIP3 H211542 2.054 -2.450 -2.777 + 1745TIP3 OH211543 2.150 -2.280 -2.494 + 1745TIP3 H111544 2.115 -2.338 -2.565 + 1745TIP3 H211545 2.083 -2.210 -2.489 + 1746TIP3 OH211546 2.063 -0.575 -4.172 + 1746TIP3 H111547 2.159 -0.560 -4.162 + 1746TIP3 H211548 2.039 -0.513 -4.242 + 1747TIP3 OH211549 1.449 -1.170 -4.195 + 1747TIP3 H111550 1.539 -1.133 -4.197 + 1747TIP3 H211551 1.444 -1.221 -4.277 + 1748TIP3 OH211552 1.350 -0.616 -3.720 + 1748TIP3 H111553 1.278 -0.652 -3.776 + 1748TIP3 H211554 1.356 -0.684 -3.650 + 1749TIP3 OH211555 1.388 -0.813 -3.520 + 1749TIP3 H111556 1.357 -0.900 -3.488 + 1749TIP3 H211557 1.422 -0.777 -3.437 + 1750TIP3 OH211558 3.156 -0.688 -3.218 + 1750TIP3 H111559 3.186 -0.687 -3.127 + 1750TIP3 H211560 3.239 -0.664 -3.263 + 1751TIP3 OH211561 3.101 -0.782 -2.907 + 1751TIP3 H111562 3.078 -0.838 -2.982 + 1751TIP3 H211563 3.193 -0.806 -2.888 + 1752TIP3 OH211564 2.929 -1.167 -2.537 + 1752TIP3 H111565 2.851 -1.195 -2.485 + 1752TIP3 H211566 2.981 -1.121 -2.467 + 1753TIP3 OH211567 3.067 -1.314 -3.930 + 1753TIP3 H111568 3.157 -1.276 -3.919 + 1753TIP3 H211569 3.067 -1.378 -3.856 + 1754TIP3 OH211570 3.112 -1.511 -3.732 + 1754TIP3 H111571 3.050 -1.572 -3.687 + 1754TIP3 H211572 3.185 -1.502 -3.669 + 1755TIP3 OH211573 3.087 -1.266 -3.241 + 1755TIP3 H111574 3.153 -1.316 -3.291 + 1755TIP3 H211575 3.109 -1.174 -3.266 + 1756TIP3 OH211576 3.139 -1.551 -4.107 + 1756TIP3 H111577 3.081 -1.516 -4.175 + 1756TIP3 H211578 3.128 -1.483 -4.038 + 1757TIP3 OH211579 2.963 -1.811 -4.218 + 1757TIP3 H111580 2.997 -1.735 -4.268 + 1757TIP3 H211581 3.009 -1.885 -4.260 + 1758TIP3 OH211582 2.908 -1.701 -3.651 + 1758TIP3 H111583 2.901 -1.797 -3.665 + 1758TIP3 H211584 2.871 -1.691 -3.561 + 1759TIP3 OH211585 1.405 -1.477 -3.276 + 1759TIP3 H111586 1.428 -1.475 -3.370 + 1759TIP3 H211587 1.488 -1.510 -3.236 + 1760TIP3 OH211588 2.991 -1.465 -2.720 + 1760TIP3 H111589 3.045 -1.546 -2.724 + 1760TIP3 H211590 3.054 -1.399 -2.749 + 1761TIP3 OH211591 3.119 -1.687 -2.620 + 1761TIP3 H111592 3.044 -1.747 -2.642 + 1761TIP3 H211593 3.194 -1.749 -2.618 + 1762TIP3 OH211594 2.889 -2.130 -4.338 + 1762TIP3 H111595 2.950 -2.156 -4.268 + 1762TIP3 H211596 2.803 -2.164 -4.310 + 1763TIP3 OH211597 2.888 -1.946 -3.837 + 1763TIP3 H111598 2.915 -2.040 -3.828 + 1763TIP3 H211599 2.970 -1.908 -3.872 + 1764TIP3 OH211600 2.923 -1.883 -3.293 + 1764TIP3 H111601 3.020 -1.872 -3.296 + 1764TIP3 H211602 2.907 -1.880 -3.198 + 1765TIP3 OH211603 2.921 -1.831 -2.997 + 1765TIP3 H111604 2.839 -1.782 -2.971 + 1765TIP3 H211605 2.978 -1.755 -3.024 + 1766TIP3 OH211606 3.175 -2.395 -2.502 + 1766TIP3 H111607 3.231 -2.467 -2.535 + 1766TIP3 H211608 3.213 -2.317 -2.544 + 1767TIP3 OH211609 2.939 -2.215 -3.823 + 1767TIP3 H111610 2.960 -2.259 -3.738 + 1767TIP3 H211611 2.870 -2.274 -3.859 + 1768TIP3 OH211612 1.463 -2.109 -3.362 + 1768TIP3 H111613 1.503 -2.197 -3.347 + 1768TIP3 H211614 1.530 -2.052 -3.320 + 1769TIP3 OH211615 1.314 -1.840 -3.258 + 1769TIP3 H111616 1.374 -1.849 -3.332 + 1769TIP3 H211617 1.357 -1.773 -3.203 + 1770TIP3 OH211618 3.098 -2.167 -2.680 + 1770TIP3 H111619 3.026 -2.178 -2.615 + 1770TIP3 H211620 3.093 -2.247 -2.735 + 1771TIP3 OH211621 3.143 -2.179 -4.180 + 1771TIP3 H111622 3.171 -2.258 -4.228 + 1771TIP3 H211623 3.228 -2.134 -4.167 + 1772TIP3 OH211624 1.364 -2.204 -3.848 + 1772TIP3 H111625 1.270 -2.207 -3.873 + 1772TIP3 H211626 1.403 -2.149 -3.918 + 1773TIP3 OH211627 2.829 -0.685 -3.641 + 1773TIP3 H111628 2.877 -0.710 -3.721 + 1773TIP3 H211629 2.898 -0.644 -3.588 + 1774TIP3 OH211630 1.367 -2.333 -3.049 + 1774TIP3 H111631 1.312 -2.342 -2.970 + 1774TIP3 H211632 1.317 -2.267 -3.099 + 1775TIP3 OH211633 1.570 -1.005 -2.569 + 1775TIP3 H111634 1.496 -1.012 -2.630 + 1775TIP3 H211635 1.527 -1.015 -2.483 + 1776TIP3 OH211636 1.854 -0.915 -3.002 + 1776TIP3 H111637 1.823 -0.828 -3.034 + 1776TIP3 H211638 1.951 -0.904 -3.017 + 1777TIP3 OH211639 2.307 -0.782 -2.700 + 1777TIP3 H111640 2.317 -0.797 -2.604 + 1777TIP3 H211641 2.391 -0.738 -2.722 + 1778TIP3 OH211642 2.541 -0.641 -2.775 + 1778TIP3 H111643 2.607 -0.709 -2.794 + 1778TIP3 H211644 2.572 -0.608 -2.688 + 1779TIP3 OH211645 2.989 -2.366 -2.867 + 1779TIP3 H111646 2.915 -2.390 -2.927 + 1779TIP3 H211647 3.043 -2.447 -2.878 + 1780TIP3 OH211648 1.590 -0.618 -2.967 + 1780TIP3 H111649 1.531 -0.554 -3.010 + 1780TIP3 H211650 1.561 -0.611 -2.875 + 1781TIP3 OH211651 1.841 -0.640 -3.112 + 1781TIP3 H111652 1.756 -0.621 -3.067 + 1781TIP3 H211653 1.844 -0.570 -3.179 + 1782TIP3 OH211654 2.316 -0.641 -3.155 + 1782TIP3 H111655 2.280 -0.595 -3.232 + 1782TIP3 H211656 2.326 -0.568 -3.091 + 1783TIP3 OH211657 2.550 -0.774 -3.063 + 1783TIP3 H111658 2.467 -0.734 -3.095 + 1783TIP3 H211659 2.608 -0.696 -3.057 + 1784TIP3 OH211660 2.805 -0.594 -3.039 + 1784TIP3 H111661 2.798 -0.501 -3.068 + 1784TIP3 H211662 2.830 -0.637 -3.122 + 1785TIP3 OH211663 1.549 -0.738 -3.272 + 1785TIP3 H111664 1.547 -0.785 -3.187 + 1785TIP3 H211665 1.626 -0.781 -3.315 + 1786TIP3 OH211666 1.752 -0.864 -3.428 + 1786TIP3 H111667 1.737 -0.956 -3.400 + 1786TIP3 H211668 1.842 -0.847 -3.395 + 1787TIP3 OH211669 2.025 -0.816 -3.339 + 1787TIP3 H111670 2.048 -0.908 -3.360 + 1787TIP3 H211671 2.034 -0.817 -3.242 + 1788TIP3 OH211672 2.361 -2.226 -3.406 + 1788TIP3 H111673 2.293 -2.295 -3.393 + 1788TIP3 H211674 2.424 -2.271 -3.465 + 1789TIP3 OH211675 2.852 -2.419 -3.362 + 1789TIP3 H111676 2.932 -2.382 -3.405 + 1789TIP3 H211677 2.782 -2.394 -3.423 + 1790TIP3 OH211678 3.061 -2.314 -3.576 + 1790TIP3 H111679 3.133 -2.361 -3.622 + 1790TIP3 H211680 3.097 -2.223 -3.572 + 1791TIP3 OH211681 1.596 -2.354 -3.654 + 1791TIP3 H111682 1.509 -2.369 -3.697 + 1791TIP3 H211683 1.637 -2.442 -3.666 + 1792TIP3 OH211684 1.475 -2.400 -4.081 + 1792TIP3 H111685 1.533 -2.335 -4.127 + 1792TIP3 H211686 1.439 -2.346 -4.009 + 1793TIP3 OH211687 2.042 -2.370 -3.665 + 1793TIP3 H111688 2.134 -2.343 -3.679 + 1793TIP3 H211689 2.041 -2.383 -3.569 + 1794TIP3 OH211690 2.601 -2.368 -3.525 + 1794TIP3 H111691 2.629 -2.382 -3.616 + 1794TIP3 H211692 2.564 -2.455 -3.501 + 1795TIP3 OH211693 2.705 -2.364 -3.914 + 1795TIP3 H111694 2.628 -2.318 -3.949 + 1795TIP3 H211695 2.677 -2.457 -3.923 + 1796TIP3 OH211696 1.482 -0.810 -3.964 + 1796TIP3 H111697 1.411 -0.813 -4.030 + 1796TIP3 H211698 1.483 -0.716 -3.942 + 1797TIP3 OH211699 1.644 -2.229 -4.227 + 1797TIP3 H111700 1.700 -2.286 -4.281 + 1797TIP3 H211701 1.710 -2.176 -4.180 + 1798TIP3 OH211702 2.150 -2.205 -3.955 + 1798TIP3 H111703 2.191 -2.265 -3.891 + 1798TIP3 H211704 2.188 -2.121 -3.925 + 1799TIP3 OH211705 2.359 -0.647 -4.145 + 1799TIP3 H111706 2.456 -0.634 -4.149 + 1799TIP3 H211707 2.349 -0.708 -4.221 + 1800TIP3 OH211708 3.020 -0.726 -3.883 + 1800TIP3 H111709 2.993 -0.810 -3.925 + 1800TIP3 H211710 3.002 -0.661 -3.953 + 1801TIP3 OH211711 1.574 -2.339 -2.710 + 1801TIP3 H111712 1.539 -2.418 -2.665 + 1801TIP3 H211713 1.666 -2.338 -2.678 + 1802TIP3 OH211714 1.814 -2.393 -2.526 + 1802TIP3 H111715 1.895 -2.429 -2.566 + 1802TIP3 H211716 1.776 -2.472 -2.484 + 1803TIP3 OH211717 1.682 -0.703 -4.232 + 1803TIP3 H111718 1.641 -0.679 -4.148 + 1803TIP3 H211719 1.748 -0.769 -4.208 + 1804TIP3 OH211720 2.625 -2.484 -2.512 + 1804TIP3 H111721 2.626 -2.525 -2.423 + 1804TIP3 H211722 2.720 -2.482 -2.533 + 1805TIP3 OH211723 4.222 -1.590 -3.311 + 1805TIP3 H111724 4.293 -1.544 -3.263 + 1805TIP3 H211725 4.241 -1.568 -3.403 + 1806TIP3 OH211726 3.514 -1.580 -3.149 + 1806TIP3 H111727 3.518 -1.652 -3.084 + 1806TIP3 H211728 3.589 -1.525 -3.121 + 1807TIP3 OH211729 3.584 -1.148 -3.290 + 1807TIP3 H111730 3.573 -1.233 -3.337 + 1807TIP3 H211731 3.677 -1.127 -3.308 + 1808TIP3 OH211732 3.280 -1.781 -3.762 + 1808TIP3 H111733 3.248 -1.690 -3.750 + 1808TIP3 H211734 3.207 -1.821 -3.813 + 1809TIP3 OH211735 3.355 -1.534 -3.588 + 1809TIP3 H111736 3.376 -1.608 -3.529 + 1809TIP3 H211737 3.444 -1.509 -3.620 + 1810TIP3 OH211738 4.122 -1.288 -3.246 + 1810TIP3 H111739 4.146 -1.349 -3.317 + 1810TIP3 H211740 4.207 -1.267 -3.207 + 1811TIP3 OH211741 3.744 -2.052 -3.505 + 1811TIP3 H111742 3.757 -1.966 -3.549 + 1811TIP3 H211743 3.707 -2.103 -3.580 + 1812TIP3 OH211744 3.407 -1.784 -3.449 + 1812TIP3 H111745 3.477 -1.827 -3.397 + 1812TIP3 H211746 3.419 -1.825 -3.536 + 1813TIP3 OH211747 3.952 -1.643 -3.505 + 1813TIP3 H111748 4.025 -1.697 -3.471 + 1813TIP3 H211749 3.899 -1.710 -3.552 + 1814TIP3 OH211750 3.622 -2.174 -3.089 + 1814TIP3 H111751 3.584 -2.125 -3.163 + 1814TIP3 H211752 3.557 -2.156 -3.018 + 1815TIP3 OH211753 3.914 -1.389 -3.074 + 1815TIP3 H111754 3.844 -1.326 -3.049 + 1815TIP3 H211755 3.980 -1.330 -3.115 + 1816TIP3 OH211756 3.582 -1.970 -3.295 + 1816TIP3 H111757 3.646 -1.911 -3.250 + 1816TIP3 H211758 3.639 -2.006 -3.366 + 1817TIP3 OH211759 3.718 -1.195 -2.996 + 1817TIP3 H111760 3.715 -1.114 -3.051 + 1817TIP3 H211761 3.626 -1.196 -2.967 + 1818TIP3 OH211762 3.335 -1.220 -3.913 + 1818TIP3 H111763 3.329 -1.178 -4.001 + 1818TIP3 H211764 3.360 -1.148 -3.853 + 1819TIP3 OH211765 4.043 -2.426 -3.375 + 1819TIP3 H111766 4.015 -2.520 -3.375 + 1819TIP3 H211767 3.963 -2.383 -3.338 + 1820TIP3 OH211768 4.237 -1.524 -3.928 + 1820TIP3 H111769 4.165 -1.462 -3.944 + 1820TIP3 H211770 4.305 -1.491 -3.987 + 1821TIP3 OH211771 4.280 -1.696 -4.212 + 1821TIP3 H111772 4.344 -1.693 -4.138 + 1821TIP3 H211773 4.303 -1.780 -4.253 + 1822TIP3 OH211774 3.747 -1.461 -3.616 + 1822TIP3 H111775 3.731 -1.495 -3.706 + 1822TIP3 H211776 3.824 -1.513 -3.587 + 1823TIP3 OH211777 3.897 -1.125 -3.338 + 1823TIP3 H111778 3.893 -1.149 -3.432 + 1823TIP3 H211779 3.981 -1.165 -3.310 + 1824TIP3 OH211780 3.815 -1.572 -3.265 + 1824TIP3 H111781 3.872 -1.570 -3.345 + 1824TIP3 H211782 3.856 -1.503 -3.209 + 1825TIP3 OH211783 3.903 -1.138 -2.784 + 1825TIP3 H111784 3.852 -1.071 -2.736 + 1825TIP3 H211785 3.842 -1.160 -2.857 + 1826TIP3 OH211786 3.595 -1.502 -2.868 + 1826TIP3 H111787 3.602 -1.440 -2.793 + 1826TIP3 H211788 3.499 -1.510 -2.879 + 1827TIP3 OH211789 4.263 -0.928 -3.703 + 1827TIP3 H111790 4.299 -0.877 -3.628 + 1827TIP3 H211791 4.200 -0.865 -3.741 + 1828TIP3 OH211792 3.707 -0.917 -2.695 + 1828TIP3 H111793 3.706 -0.910 -2.793 + 1828TIP3 H211794 3.619 -0.953 -2.676 + 1829TIP3 OH211795 3.657 -1.582 -3.862 + 1829TIP3 H111796 3.662 -1.511 -3.927 + 1829TIP3 H211797 3.582 -1.633 -3.896 + 1830TIP3 OH211798 3.233 -1.305 -2.979 + 1830TIP3 H111799 3.206 -1.306 -3.073 + 1830TIP3 H211800 3.259 -1.397 -2.963 + 1831TIP3 OH211801 3.257 -1.027 -3.279 + 1831TIP3 H111802 3.351 -1.049 -3.293 + 1831TIP3 H211803 3.268 -0.936 -3.247 + 1832TIP3 OH211804 4.165 -1.030 -2.847 + 1832TIP3 H111805 4.179 -0.952 -2.792 + 1832TIP3 H211806 4.080 -1.065 -2.816 + 1833TIP3 OH211807 4.186 -0.649 -3.842 + 1833TIP3 H111808 4.201 -0.656 -3.937 + 1833TIP3 H211809 4.214 -0.560 -3.819 + 1834TIP3 OH211810 3.575 -0.747 -3.644 + 1834TIP3 H111811 3.590 -0.788 -3.557 + 1834TIP3 H211812 3.499 -0.799 -3.674 + 1835TIP3 OH211813 3.437 -1.138 -2.842 + 1835TIP3 H111814 3.497 -1.195 -2.791 + 1835TIP3 H211815 3.395 -1.197 -2.907 + 1836TIP3 OH211816 3.796 -2.311 -3.290 + 1836TIP3 H111817 3.715 -2.315 -3.344 + 1836TIP3 H211818 3.775 -2.235 -3.234 + 1837TIP3 OH211819 4.234 -2.373 -2.862 + 1837TIP3 H111820 4.245 -2.445 -2.799 + 1837TIP3 H211821 4.142 -2.390 -2.894 + 1838TIP3 OH211822 4.220 -2.100 -4.212 + 1838TIP3 H111823 4.162 -2.107 -4.135 + 1838TIP3 H211824 4.185 -2.170 -4.269 + 1839TIP3 OH211825 3.777 -1.830 -3.151 + 1839TIP3 H111826 3.724 -1.814 -3.072 + 1839TIP3 H211827 3.790 -1.738 -3.186 + 1840TIP3 OH211828 3.774 -1.825 -3.660 + 1840TIP3 H111829 3.678 -1.828 -3.676 + 1840TIP3 H211830 3.807 -1.830 -3.751 + 1841TIP3 OH211831 4.261 -1.722 -3.744 + 1841TIP3 H111832 4.216 -1.654 -3.798 + 1841TIP3 H211833 4.332 -1.667 -3.707 + 1842TIP3 OH211834 4.249 -1.743 -2.635 + 1842TIP3 H111835 4.197 -1.824 -2.616 + 1842TIP3 H211836 4.339 -1.781 -2.632 + 1843TIP3 OH211837 3.505 -1.814 -2.958 + 1843TIP3 H111838 3.550 -1.782 -2.878 + 1843TIP3 H211839 3.487 -1.907 -2.935 + 1844TIP3 OH211840 3.895 -2.075 -4.311 + 1844TIP3 H111841 3.855 -2.097 -4.225 + 1844TIP3 H211842 3.823 -2.020 -4.349 + 1845TIP3 OH211843 3.196 -2.070 -3.596 + 1845TIP3 H111844 3.260 -2.071 -3.523 + 1845TIP3 H211845 3.247 -2.101 -3.673 + 1846TIP3 OH211846 3.357 -2.024 -4.041 + 1846TIP3 H111847 3.414 -1.974 -4.103 + 1846TIP3 H211848 3.291 -1.956 -4.017 + 1847TIP3 OH211849 4.351 -1.687 -3.023 + 1847TIP3 H111850 4.378 -1.754 -3.089 + 1847TIP3 H211851 4.272 -1.730 -2.986 + 1848TIP3 OH211852 4.048 -2.089 -3.554 + 1848TIP3 H111853 3.954 -2.074 -3.534 + 1848TIP3 H211854 4.089 -2.056 -3.472 + 1849TIP3 OH211855 3.505 -1.944 -3.686 + 1849TIP3 H111856 3.427 -1.912 -3.735 + 1849TIP3 H211857 3.535 -2.020 -3.739 + 1850TIP3 OH211858 3.875 -1.910 -3.931 + 1850TIP3 H111859 3.967 -1.881 -3.919 + 1850TIP3 H211860 3.838 -1.845 -3.994 + 1851TIP3 OH211861 3.727 -1.796 -4.154 + 1851TIP3 H111862 3.674 -1.840 -4.222 + 1851TIP3 H211863 3.793 -1.748 -4.205 + 1852TIP3 OH211864 3.579 -1.313 -2.647 + 1852TIP3 H111865 3.649 -1.305 -2.579 + 1852TIP3 H211866 3.500 -1.296 -2.592 + 1853TIP3 OH211867 4.139 -1.859 -3.416 + 1853TIP3 H111868 4.224 -1.883 -3.455 + 1853TIP3 H211869 4.161 -1.855 -3.322 + 1854TIP3 OH211870 3.675 -2.175 -3.758 + 1854TIP3 H111871 3.626 -2.257 -3.742 + 1854TIP3 H211872 3.758 -2.207 -3.794 + 1855TIP3 OH211873 4.048 -1.976 -3.143 + 1855TIP3 H111874 3.981 -1.908 -3.162 + 1855TIP3 H211875 4.101 -1.934 -3.073 + 1856TIP3 OH211876 4.202 -1.342 -2.832 + 1856TIP3 H111877 4.188 -1.347 -2.737 + 1856TIP3 H211878 4.216 -1.247 -2.847 + 1857TIP3 OH211879 3.572 -1.408 -3.392 + 1857TIP3 H111880 3.636 -1.408 -3.466 + 1857TIP3 H211881 3.602 -1.485 -3.341 + 1858TIP3 OH211882 4.251 -1.213 -4.054 + 1858TIP3 H111883 4.244 -1.119 -4.030 + 1858TIP3 H211884 4.162 -1.242 -4.026 + 1859TIP3 OH211885 3.299 -1.556 -2.849 + 1859TIP3 H111886 3.324 -1.607 -2.769 + 1859TIP3 H211887 3.245 -1.619 -2.899 + 1860TIP3 OH211888 4.000 -1.613 -2.649 + 1860TIP3 H111889 3.972 -1.635 -2.740 + 1860TIP3 H211890 4.096 -1.631 -2.655 + 1861TIP3 OH211891 3.797 -1.037 -3.625 + 1861TIP3 H111892 3.862 -0.984 -3.671 + 1861TIP3 H211893 3.725 -1.044 -3.688 + 1862TIP3 OH211894 3.418 -1.578 -4.203 + 1862TIP3 H111895 3.475 -1.511 -4.161 + 1862TIP3 H211896 3.330 -1.552 -4.171 + 1863TIP3 OH211897 4.014 -1.279 -3.621 + 1863TIP3 H111898 4.005 -1.208 -3.686 + 1863TIP3 H211899 3.945 -1.340 -3.649 + 1864TIP3 OH211900 4.020 -0.853 -3.051 + 1864TIP3 H111901 4.082 -0.794 -3.096 + 1864TIP3 H211902 4.081 -0.916 -3.008 + 1865TIP3 OH211903 3.862 -0.764 -3.751 + 1865TIP3 H111904 3.771 -0.766 -3.717 + 1865TIP3 H211905 3.896 -0.681 -3.713 + 1866TIP3 OH211906 3.431 -2.091 -2.889 + 1866TIP3 H111907 3.342 -2.082 -2.924 + 1866TIP3 H211908 3.427 -2.180 -2.849 + 1867TIP3 OH211909 4.017 -1.055 -4.286 + 1867TIP3 H111910 4.031 -1.136 -4.335 + 1867TIP3 H211911 3.972 -1.091 -4.206 + 1868TIP3 OH211912 3.550 -1.366 -4.053 + 1868TIP3 H111913 3.488 -1.322 -3.991 + 1868TIP3 H211914 3.624 -1.303 -4.054 + 1869TIP3 OH211915 4.338 -2.064 -2.983 + 1869TIP3 H111916 4.384 -2.142 -2.951 + 1869TIP3 H211917 4.273 -2.102 -3.044 + 1870TIP3 OH211918 4.190 -0.929 -4.020 + 1870TIP3 H111919 4.095 -0.917 -4.004 + 1870TIP3 H211920 4.204 -0.873 -4.097 + 1871TIP3 OH211921 4.154 -1.968 -3.810 + 1871TIP3 H111922 4.201 -1.886 -3.785 + 1871TIP3 H211923 4.112 -1.989 -3.725 + 1872TIP3 OH211924 4.162 -1.880 -2.893 + 1872TIP3 H111925 4.183 -1.825 -2.817 + 1872TIP3 H211926 4.236 -1.944 -2.896 + 1873TIP3 OH211927 4.198 -2.270 -3.694 + 1873TIP3 H111928 4.164 -2.192 -3.644 + 1873TIP3 H211929 4.270 -2.231 -3.746 + 1874TIP3 OH211930 3.871 -0.836 -4.041 + 1874TIP3 H111931 3.894 -0.748 -4.075 + 1874TIP3 H211932 3.873 -0.822 -3.944 + 1875TIP3 OH211933 3.768 -2.155 -4.080 + 1875TIP3 H111934 3.764 -2.080 -4.019 + 1875TIP3 H211935 3.841 -2.207 -4.044 + 1876TIP3 OH211936 3.624 -1.052 -4.157 + 1876TIP3 H111937 3.703 -1.026 -4.107 + 1876TIP3 H211938 3.661 -1.121 -4.214 + 1877TIP3 OH211939 3.432 -1.854 -4.261 + 1877TIP3 H111940 3.447 -1.760 -4.241 + 1877TIP3 H211941 3.339 -1.852 -4.291 + 1878TIP3 OH211942 3.505 -2.350 -3.376 + 1878TIP3 H111943 3.503 -2.363 -3.473 + 1878TIP3 H211944 3.481 -2.439 -3.343 + 1879TIP3 OH211945 3.404 -0.989 -3.743 + 1879TIP3 H111946 3.322 -0.939 -3.736 + 1879TIP3 H211947 3.447 -0.948 -3.818 + 1880TIP3 OH211948 3.336 -0.717 -2.628 + 1880TIP3 H111949 3.405 -0.736 -2.561 + 1880TIP3 H211950 3.292 -0.801 -2.635 + 1881TIP3 OH211951 3.816 -0.802 -2.453 + 1881TIP3 H111952 3.882 -0.869 -2.427 + 1881TIP3 H211953 3.789 -0.837 -2.540 + 1882TIP3 OH211954 4.228 -0.873 -4.317 + 1882TIP3 H111955 4.145 -0.926 -4.314 + 1882TIP3 H211956 4.286 -0.936 -4.359 + 1883TIP3 OH211957 3.306 -1.338 -2.549 + 1883TIP3 H111958 3.335 -1.429 -2.571 + 1883TIP3 H211959 3.262 -1.311 -2.630 + 1884TIP3 OH211960 3.761 -1.306 -4.322 + 1884TIP3 H111961 3.785 -1.339 -4.234 + 1884TIP3 H211962 3.846 -1.310 -4.368 + 1885TIP3 OH211963 4.000 -1.330 -2.583 + 1885TIP3 H111964 3.979 -1.296 -2.671 + 1885TIP3 H211965 4.016 -1.425 -2.598 + 1886TIP3 OH211966 4.292 -1.192 -4.357 + 1886TIP3 H111967 4.307 -1.174 -4.262 + 1886TIP3 H211968 4.329 -1.280 -4.368 + 1887TIP3 OH211969 3.421 -1.636 -2.598 + 1887TIP3 H111970 3.500 -1.692 -2.599 + 1887TIP3 H211971 3.421 -1.606 -2.505 + 1888TIP3 OH211972 3.790 -1.722 -2.861 + 1888TIP3 H111973 3.741 -1.641 -2.836 + 1888TIP3 H211974 3.855 -1.687 -2.924 + 1889TIP3 OH211975 3.996 -1.658 -4.265 + 1889TIP3 H111976 3.990 -1.697 -4.352 + 1889TIP3 H211977 4.089 -1.668 -4.240 + 1890TIP3 OH211978 4.267 -1.482 -2.488 + 1890TIP3 H111979 4.354 -1.485 -2.530 + 1890TIP3 H211980 4.271 -1.559 -2.430 + 1891TIP3 OH211981 3.853 -1.993 -2.740 + 1891TIP3 H111982 3.864 -2.057 -2.813 + 1891TIP3 H211983 3.839 -1.911 -2.789 + 1892TIP3 OH211984 3.886 -2.148 -2.997 + 1892TIP3 H111985 3.938 -2.090 -3.058 + 1892TIP3 H211986 3.796 -2.143 -3.034 + 1893TIP3 OH211987 4.064 -1.609 -2.968 + 1893TIP3 H111988 4.135 -1.608 -3.033 + 1893TIP3 H211989 4.029 -1.519 -2.977 + 1894TIP3 OH211990 3.668 -1.807 -2.564 + 1894TIP3 H111991 3.618 -1.891 -2.564 + 1894TIP3 H211992 3.751 -1.833 -2.607 + 1895TIP3 OH211993 3.972 -2.409 -2.961 + 1895TIP3 H111994 3.948 -2.316 -2.979 + 1895TIP3 H211995 3.906 -2.456 -3.016 + 1896TIP3 OH211996 4.104 -1.969 -2.584 + 1896TIP3 H111997 4.060 -1.987 -2.500 + 1896TIP3 H211998 4.030 -1.987 -2.646 + 1897TIP3 OH211999 3.534 -2.062 -2.579 + 1897TIP3 H112000 3.533 -2.134 -2.643 + 1897TIP3 H212001 3.520 -2.110 -2.495 + 1898TIP3 OH212002 3.944 -2.463 -2.679 + 1898TIP3 H112003 4.004 -2.539 -2.674 + 1898TIP3 H212004 3.941 -2.447 -2.775 + 1899TIP3 OH212005 4.034 -2.285 -2.483 + 1899TIP3 H112006 4.007 -2.338 -2.560 + 1899TIP3 H212007 3.974 -2.209 -2.488 + 1900TIP3 OH212008 3.957 -0.570 -4.163 + 1900TIP3 H112009 4.053 -0.569 -4.163 + 1900TIP3 H212010 3.934 -0.521 -4.243 + 1901TIP3 OH212011 3.334 -1.163 -4.197 + 1901TIP3 H112012 3.427 -1.135 -4.195 + 1901TIP3 H212013 3.333 -1.222 -4.274 + 1902TIP3 OH212014 3.237 -0.614 -3.716 + 1902TIP3 H112015 3.166 -0.654 -3.770 + 1902TIP3 H212016 3.246 -0.681 -3.644 + 1903TIP3 OH212017 3.266 -0.804 -3.516 + 1903TIP3 H112018 3.248 -0.896 -3.493 + 1903TIP3 H212019 3.326 -0.782 -3.441 + 1904TIP3 OH212020 3.281 -1.484 -3.275 + 1904TIP3 H112021 3.305 -1.470 -3.368 + 1904TIP3 H212022 3.370 -1.501 -3.237 + 1905TIP3 OH212023 3.269 -1.939 -2.653 + 1905TIP3 H112024 3.363 -1.961 -2.636 + 1905TIP3 H212025 3.225 -2.024 -2.635 + 1906TIP3 OH212026 3.334 -2.115 -3.342 + 1906TIP3 H112027 3.384 -2.199 -3.347 + 1906TIP3 H212028 3.405 -2.053 -3.319 + 1907TIP3 OH212029 3.203 -1.841 -3.241 + 1907TIP3 H112030 3.257 -1.855 -3.321 + 1907TIP3 H212031 3.241 -1.757 -3.212 + 1908TIP3 OH212032 3.253 -2.200 -3.848 + 1908TIP3 H112033 3.159 -2.205 -3.871 + 1908TIP3 H212034 3.292 -2.146 -3.920 + 1909TIP3 OH212035 3.258 -2.303 -3.027 + 1909TIP3 H112036 3.193 -2.363 -2.990 + 1909TIP3 H212037 3.211 -2.272 -3.106 + 1910TIP3 OH212038 3.443 -1.020 -2.564 + 1910TIP3 H112039 3.378 -1.017 -2.635 + 1910TIP3 H212040 3.393 -1.010 -2.482 + 1911TIP3 OH212041 3.747 -0.907 -2.982 + 1911TIP3 H112042 3.697 -0.845 -3.038 + 1911TIP3 H212043 3.838 -0.893 -3.015 + 1912TIP3 OH212044 4.220 -0.739 -2.706 + 1912TIP3 H112045 4.201 -0.785 -2.622 + 1912TIP3 H212046 4.318 -0.741 -2.703 + 1913TIP3 OH212047 3.478 -0.614 -2.957 + 1913TIP3 H112048 3.421 -0.558 -3.013 + 1913TIP3 H212049 3.435 -0.606 -2.872 + 1914TIP3 OH212050 3.747 -0.612 -3.083 + 1914TIP3 H112051 3.657 -0.626 -3.048 + 1914TIP3 H212052 3.728 -0.592 -3.175 + 1915TIP3 OH212053 4.214 -0.663 -3.163 + 1915TIP3 H112054 4.174 -0.619 -3.240 + 1915TIP3 H212055 4.217 -0.593 -3.098 + 1916TIP3 OH212056 3.916 -0.799 -3.346 + 1916TIP3 H112057 3.901 -0.888 -3.382 + 1916TIP3 H212058 3.891 -0.814 -3.254 + 1917TIP3 OH212059 4.270 -2.266 -3.405 + 1917TIP3 H112060 4.182 -2.305 -3.392 + 1917TIP3 H212061 4.291 -2.295 -3.494 + 1918TIP3 OH212062 3.506 -2.401 -3.661 + 1918TIP3 H112063 3.417 -2.404 -3.700 + 1918TIP3 H212064 3.527 -2.495 -3.656 + 1919TIP3 OH212065 3.352 -2.396 -4.087 + 1919TIP3 H112066 3.418 -2.335 -4.126 + 1919TIP3 H212067 3.330 -2.351 -4.004 + 1920TIP3 OH212068 3.932 -2.373 -3.665 + 1920TIP3 H112069 4.025 -2.345 -3.671 + 1920TIP3 H212070 3.925 -2.385 -3.570 + 1921TIP3 OH212071 3.366 -0.810 -3.966 + 1921TIP3 H112072 3.295 -0.811 -4.033 + 1921TIP3 H212073 3.368 -0.717 -3.941 + 1922TIP3 OH212074 3.527 -2.228 -4.232 + 1922TIP3 H112075 3.584 -2.288 -4.281 + 1922TIP3 H212076 3.592 -2.177 -4.181 + 1923TIP3 OH212077 4.072 -2.209 -3.965 + 1923TIP3 H112078 4.064 -2.266 -3.886 + 1923TIP3 H212079 4.055 -2.121 -3.928 + 1924TIP3 OH212080 4.266 -0.653 -4.149 + 1924TIP3 H112081 4.357 -0.622 -4.167 + 1924TIP3 H212082 4.251 -0.714 -4.225 + 1925TIP3 OH212083 3.456 -2.333 -2.697 + 1925TIP3 H112084 3.422 -2.418 -2.664 + 1925TIP3 H212085 3.550 -2.343 -2.676 + 1926TIP3 OH212086 3.697 -2.394 -2.528 + 1926TIP3 H112087 3.781 -2.427 -2.566 + 1926TIP3 H212088 3.665 -2.474 -2.483 + 1927TIP3 OH212089 3.573 -0.697 -4.231 + 1927TIP3 H112090 3.526 -0.686 -4.147 + 1927TIP3 H212091 3.635 -0.769 -4.212 + 1928TIP3 OH212092 -3.173 0.402 -3.669 + 1928TIP3 H112093 -3.175 0.493 -3.635 + 1928TIP3 H212094 -3.246 0.401 -3.732 + 1929TIP3 OH212095 -4.033 0.311 -3.152 + 1929TIP3 H112096 -4.035 0.234 -3.093 + 1929TIP3 H212097 -3.952 0.354 -3.122 + 1930TIP3 OH212098 -2.905 0.621 -3.489 + 1930TIP3 H112099 -2.959 0.548 -3.452 + 1930TIP3 H212100 -2.879 0.665 -3.408 + 1931TIP3 OH212101 -3.974 0.751 -3.286 + 1931TIP3 H112102 -3.978 0.667 -3.339 + 1931TIP3 H212103 -3.878 0.757 -3.275 + 1932TIP3 OH212104 -4.173 0.204 -3.838 + 1932TIP3 H112105 -4.227 0.266 -3.785 + 1932TIP3 H212106 -4.214 0.121 -3.814 + 1933TIP3 OH212107 -4.207 0.358 -3.578 + 1933TIP3 H112108 -4.186 0.278 -3.528 + 1933TIP3 H212109 -4.124 0.380 -3.620 + 1934TIP3 OH212110 -3.183 1.166 -3.422 + 1934TIP3 H112111 -3.149 1.090 -3.474 + 1934TIP3 H212112 -3.254 1.126 -3.370 + 1935TIP3 OH212113 -3.421 0.590 -3.262 + 1935TIP3 H112114 -3.386 0.523 -3.324 + 1935TIP3 H212115 -3.338 0.605 -3.213 + 1936TIP3 OH212116 -2.554 -0.251 -3.197 + 1936TIP3 H112117 -2.539 -0.185 -3.127 + 1936TIP3 H212118 -2.499 -0.214 -3.269 + 1937TIP3 OH212119 -3.094 0.032 -3.210 + 1937TIP3 H112120 -3.082 -0.064 -3.215 + 1937TIP3 H212121 -3.102 0.055 -3.304 + 1938TIP3 OH212122 -3.804 -0.166 -3.505 + 1938TIP3 H112123 -3.784 -0.082 -3.550 + 1938TIP3 H212124 -3.835 -0.219 -3.581 + 1939TIP3 OH212125 -3.015 -0.160 -3.682 + 1939TIP3 H112126 -2.960 -0.197 -3.610 + 1939TIP3 H212127 -2.951 -0.103 -3.727 + 1940TIP3 OH212128 -4.137 0.113 -3.451 + 1940TIP3 H112129 -4.078 0.068 -3.388 + 1940TIP3 H212130 -4.124 0.058 -3.530 + 1941TIP3 OH212131 -3.596 0.247 -3.505 + 1941TIP3 H112132 -3.518 0.201 -3.468 + 1941TIP3 H212133 -3.639 0.173 -3.552 + 1942TIP3 OH212134 -2.480 -0.105 -2.950 + 1942TIP3 H112135 -2.543 -0.037 -2.981 + 1942TIP3 H212136 -2.515 -0.119 -2.860 + 1943TIP3 OH212137 -3.916 -0.283 -3.094 + 1943TIP3 H112138 -3.960 -0.238 -3.167 + 1943TIP3 H212139 -3.973 -0.264 -3.019 + 1944TIP3 OH212140 -3.167 0.698 -3.753 + 1944TIP3 H112141 -3.201 0.666 -3.836 + 1944TIP3 H212142 -3.217 0.780 -3.738 + 1945TIP3 OH212143 -3.627 0.504 -3.072 + 1945TIP3 H112144 -3.702 0.565 -3.056 + 1945TIP3 H212145 -3.562 0.559 -3.118 + 1946TIP3 OH212146 -2.826 -0.230 -3.467 + 1946TIP3 H112147 -2.878 -0.277 -3.401 + 1946TIP3 H212148 -2.784 -0.161 -3.413 + 1947TIP3 OH212149 -3.959 -0.079 -3.297 + 1947TIP3 H112150 -3.892 -0.024 -3.250 + 1947TIP3 H212151 -3.902 -0.116 -3.368 + 1948TIP3 OH212152 -3.838 0.688 -3.010 + 1948TIP3 H112153 -3.835 0.784 -3.026 + 1948TIP3 H212154 -3.917 0.677 -2.954 + 1949TIP3 OH212155 -4.183 0.653 -3.915 + 1949TIP3 H112156 -4.259 0.671 -3.975 + 1949TIP3 H212157 -4.198 0.714 -3.843 + 1950TIP3 OH212158 -2.864 0.813 -3.211 + 1950TIP3 H112159 -2.955 0.786 -3.228 + 1950TIP3 H212160 -2.845 0.878 -3.280 + 1951TIP3 OH212161 -2.816 -0.315 -3.093 + 1951TIP3 H112162 -2.894 -0.266 -3.128 + 1951TIP3 H212163 -2.746 -0.289 -3.155 + 1952TIP3 OH212164 -3.507 -0.539 -3.383 + 1952TIP3 H112165 -3.529 -0.634 -3.384 + 1952TIP3 H212166 -3.587 -0.500 -3.343 + 1953TIP3 OH212167 -3.018 0.997 -3.568 + 1953TIP3 H112168 -2.978 0.914 -3.604 + 1953TIP3 H212169 -2.946 1.061 -3.586 + 1954TIP3 OH212170 -2.877 0.789 -3.713 + 1954TIP3 H112171 -2.925 0.744 -3.784 + 1954TIP3 H212172 -2.878 0.720 -3.645 + 1955TIP3 OH212173 -2.726 0.669 -2.881 + 1955TIP3 H112174 -2.737 0.592 -2.941 + 1955TIP3 H212175 -2.697 0.738 -2.942 + 1956TIP3 OH212176 -3.300 0.351 -3.919 + 1956TIP3 H112177 -3.364 0.415 -3.956 + 1956TIP3 H212178 -3.225 0.358 -3.980 + 1957TIP3 OH212179 -3.276 0.179 -4.210 + 1957TIP3 H112180 -3.211 0.207 -4.143 + 1957TIP3 H212181 -3.220 0.118 -4.263 + 1958TIP3 OH212182 -2.545 0.289 -3.078 + 1958TIP3 H112183 -2.625 0.344 -3.068 + 1958TIP3 H212184 -2.505 0.326 -3.159 + 1959TIP3 OH212185 -2.935 0.353 -3.796 + 1959TIP3 H112186 -3.009 0.372 -3.734 + 1959TIP3 H212187 -2.878 0.297 -3.741 + 1960TIP3 OH212188 -2.960 0.206 -2.920 + 1960TIP3 H112189 -2.950 0.281 -2.859 + 1960TIP3 H212190 -3.028 0.240 -2.979 + 1961TIP3 OH212191 -3.784 0.433 -3.615 + 1961TIP3 H112192 -3.814 0.388 -3.697 + 1961TIP3 H212193 -3.719 0.369 -3.580 + 1962TIP3 OH212194 -3.643 0.771 -3.340 + 1962TIP3 H112195 -3.654 0.733 -3.428 + 1962TIP3 H212196 -3.566 0.722 -3.307 + 1963TIP3 OH212197 -3.733 0.323 -3.269 + 1963TIP3 H112198 -3.672 0.314 -3.345 + 1963TIP3 H212199 -3.680 0.377 -3.207 + 1964TIP3 OH212200 -3.639 0.753 -2.786 + 1964TIP3 H112201 -3.692 0.811 -2.730 + 1964TIP3 H212202 -3.704 0.717 -2.848 + 1965TIP3 OH212203 -3.037 0.306 -4.056 + 1965TIP3 H112204 -2.994 0.327 -3.971 + 1965TIP3 H212205 -2.974 0.346 -4.120 + 1966TIP3 OH212206 -3.958 0.392 -2.873 + 1966TIP3 H112207 -3.950 0.442 -2.790 + 1966TIP3 H212208 -4.055 0.377 -2.875 + 1967TIP3 OH212209 -3.338 0.970 -3.663 + 1967TIP3 H112210 -3.245 0.980 -3.642 + 1967TIP3 H212211 -3.354 1.042 -3.726 + 1968TIP3 OH212212 -3.837 0.964 -2.698 + 1968TIP3 H112213 -3.845 0.968 -2.795 + 1968TIP3 H212214 -3.927 0.945 -2.668 + 1969TIP3 OH212215 -2.694 -0.534 -4.075 + 1969TIP3 H112216 -2.789 -0.523 -4.055 + 1969TIP3 H212217 -2.670 -0.444 -4.101 + 1970TIP3 OH212218 -3.893 0.306 -3.868 + 1970TIP3 H112219 -3.920 0.382 -3.921 + 1970TIP3 H212220 -3.970 0.248 -3.877 + 1971TIP3 OH212221 -2.582 0.900 -4.253 + 1971TIP3 H112222 -2.557 0.977 -4.200 + 1971TIP3 H212223 -2.512 0.835 -4.236 + 1972TIP3 OH212224 -2.444 0.930 -2.723 + 1972TIP3 H112225 -2.454 0.833 -2.737 + 1972TIP3 H212226 -2.534 0.952 -2.690 + 1973TIP3 OH212227 -3.385 0.858 -2.845 + 1973TIP3 H112228 -3.372 0.932 -2.784 + 1973TIP3 H212229 -3.471 0.821 -2.816 + 1974TIP3 OH212230 -3.352 1.233 -3.845 + 1974TIP3 H112231 -3.350 1.242 -3.941 + 1974TIP3 H212232 -3.342 1.325 -3.815 + 1975TIP3 OH212233 -3.977 1.147 -3.679 + 1975TIP3 H112234 -3.953 1.106 -3.594 + 1975TIP3 H212235 -4.054 1.093 -3.704 + 1976TIP3 OH212236 -3.059 1.219 -4.026 + 1976TIP3 H112237 -3.098 1.146 -4.075 + 1976TIP3 H212238 -2.980 1.175 -3.994 + 1977TIP3 OH212239 -3.098 1.023 -3.840 + 1977TIP3 H112240 -3.144 1.108 -3.848 + 1977TIP3 H212241 -3.040 1.035 -3.763 + 1978TIP3 OH212242 -4.104 0.685 -2.887 + 1978TIP3 H112243 -4.059 0.682 -2.800 + 1978TIP3 H212244 -4.171 0.616 -2.872 + 1979TIP3 OH212245 -3.748 -0.423 -3.290 + 1979TIP3 H112246 -3.831 -0.431 -3.341 + 1979TIP3 H212247 -3.771 -0.349 -3.231 + 1980TIP3 OH212248 -3.310 -0.472 -2.928 + 1980TIP3 H112249 -3.259 -0.517 -2.859 + 1980TIP3 H212250 -3.402 -0.501 -2.911 + 1981TIP3 OH212251 -3.009 -0.089 -2.896 + 1981TIP3 H112252 -3.027 -0.105 -2.802 + 1981TIP3 H212253 -2.989 0.006 -2.897 + 1982TIP3 OH212254 -2.816 0.386 -4.251 + 1982TIP3 H112255 -2.859 0.365 -4.334 + 1982TIP3 H212256 -2.784 0.476 -4.271 + 1983TIP3 OH212257 -3.329 -0.225 -4.216 + 1983TIP3 H112258 -3.382 -0.222 -4.136 + 1983TIP3 H212259 -3.372 -0.296 -4.265 + 1984TIP3 OH212260 -3.768 0.057 -3.152 + 1984TIP3 H112261 -3.812 0.071 -3.066 + 1984TIP3 H212262 -3.753 0.148 -3.183 + 1985TIP3 OH212263 -3.771 0.062 -3.660 + 1985TIP3 H112264 -3.866 0.054 -3.680 + 1985TIP3 H212265 -3.733 0.046 -3.749 + 1986TIP3 OH212266 -3.201 0.109 -3.793 + 1986TIP3 H112267 -3.240 0.196 -3.815 + 1986TIP3 H212268 -3.135 0.098 -3.862 + 1987TIP3 OH212269 -3.277 0.140 -2.632 + 1987TIP3 H112270 -3.327 0.059 -2.606 + 1987TIP3 H212271 -3.185 0.113 -2.617 + 1988TIP3 OH212272 -3.128 0.054 -3.502 + 1988TIP3 H112273 -3.144 0.122 -3.569 + 1988TIP3 H212274 -3.103 -0.021 -3.558 + 1989TIP3 OH212275 -4.030 0.074 -2.961 + 1989TIP3 H112276 -3.986 0.109 -2.883 + 1989TIP3 H212277 -4.060 -0.012 -2.928 + 1990TIP3 OH212278 -3.651 -0.187 -4.311 + 1990TIP3 H112279 -3.688 -0.215 -4.225 + 1990TIP3 H212280 -3.727 -0.136 -4.347 + 1991TIP3 OH212281 -4.316 -0.169 -3.598 + 1991TIP3 H112282 -4.305 -0.195 -3.505 + 1991TIP3 H212283 -4.283 -0.246 -3.645 + 1992TIP3 OH212284 -4.213 -0.105 -4.014 + 1992TIP3 H112285 -4.149 -0.100 -4.086 + 1992TIP3 H212286 -4.297 -0.090 -4.059 + 1993TIP3 OH212287 -3.230 0.226 -3.029 + 1993TIP3 H112288 -3.182 0.196 -3.109 + 1993TIP3 H212289 -3.237 0.144 -2.979 + 1994TIP3 OH212290 -3.492 -0.178 -3.557 + 1994TIP3 H112291 -3.584 -0.180 -3.527 + 1994TIP3 H212292 -3.444 -0.189 -3.473 + 1995TIP3 OH212293 -4.037 -0.052 -3.695 + 1995TIP3 H112294 -4.123 -0.052 -3.739 + 1995TIP3 H212295 -3.998 -0.135 -3.729 + 1996TIP3 OH212296 -3.673 -0.020 -3.925 + 1996TIP3 H112297 -3.577 -0.014 -3.913 + 1996TIP3 H212298 -3.693 0.045 -3.994 + 1997TIP3 OH212299 -3.055 -0.266 -3.260 + 1997TIP3 H112300 -3.115 -0.263 -3.182 + 1997TIP3 H212301 -3.119 -0.293 -3.328 + 1998TIP3 OH212302 -3.817 0.101 -4.163 + 1998TIP3 H112303 -3.874 0.046 -4.219 + 1998TIP3 H212304 -3.738 0.114 -4.217 + 1999TIP3 OH212305 -2.753 1.316 -2.590 + 1999TIP3 H112306 -2.727 1.359 -2.673 + 1999TIP3 H212307 -2.683 1.345 -2.530 + 2000TIP3 OH212308 -3.950 0.588 -2.650 + 2000TIP3 H112309 -3.889 0.582 -2.574 + 2000TIP3 H212310 -4.036 0.590 -2.602 + 2001TIP3 OH212311 -3.400 0.083 -3.377 + 2001TIP3 H112312 -3.311 0.068 -3.412 + 2001TIP3 H212313 -3.398 0.030 -3.295 + 2002TIP3 OH212314 -3.872 -0.286 -3.755 + 2002TIP3 H112315 -3.915 -0.372 -3.748 + 2002TIP3 H212316 -3.787 -0.310 -3.795 + 2003TIP3 OH212317 -3.497 -0.084 -3.151 + 2003TIP3 H112318 -3.565 -0.016 -3.151 + 2003TIP3 H212319 -3.438 -0.058 -3.077 + 2004TIP3 OH212320 -3.478 0.565 -3.961 + 2004TIP3 H112321 -3.554 0.512 -3.994 + 2004TIP3 H212322 -3.495 0.567 -3.864 + 2005TIP3 OH212323 -2.786 0.476 -3.105 + 2005TIP3 H112324 -2.734 0.522 -3.172 + 2005TIP3 H212325 -2.870 0.459 -3.152 + 2006TIP3 OH212326 -3.062 -0.159 -4.188 + 2006TIP3 H112327 -3.160 -0.163 -4.185 + 2006TIP3 H212328 -3.039 -0.086 -4.126 + 2007TIP3 OH212329 -3.319 0.567 -2.838 + 2007TIP3 H112330 -3.336 0.525 -2.753 + 2007TIP3 H212331 -3.349 0.658 -2.825 + 2008TIP3 OH212332 -3.000 0.023 -3.990 + 2008TIP3 H112333 -2.915 0.005 -3.945 + 2008TIP3 H212334 -2.983 0.111 -4.030 + 2009TIP3 OH212335 -3.968 0.500 -3.388 + 2009TIP3 H112336 -3.907 0.484 -3.463 + 2009TIP3 H212337 -3.960 0.416 -3.340 + 2010TIP3 OH212338 -3.235 0.695 -4.073 + 2010TIP3 H112339 -3.258 0.782 -4.034 + 2010TIP3 H212340 -3.310 0.642 -4.042 + 2011TIP3 OH212341 -4.232 0.365 -2.834 + 2011TIP3 H112342 -4.226 0.299 -2.763 + 2011TIP3 H212343 -4.286 0.318 -2.901 + 2012TIP3 OH212344 -3.538 0.278 -2.657 + 2012TIP3 H112345 -3.563 0.254 -2.747 + 2012TIP3 H212346 -3.445 0.248 -2.655 + 2013TIP3 OH212347 -3.086 0.882 -2.881 + 2013TIP3 H112348 -3.165 0.829 -2.905 + 2013TIP3 H212349 -3.072 0.851 -2.789 + 2014TIP3 OH212350 -2.527 0.032 -4.001 + 2014TIP3 H112351 -2.593 0.015 -4.071 + 2014TIP3 H212352 -2.516 0.128 -4.016 + 2015TIP3 OH212353 -2.490 0.641 -2.727 + 2015TIP3 H112354 -2.586 0.652 -2.746 + 2015TIP3 H212355 -2.459 0.610 -2.815 + 2016TIP3 OH212356 -2.698 0.891 -3.988 + 2016TIP3 H112357 -2.737 0.815 -3.941 + 2016TIP3 H212358 -2.680 0.852 -4.076 + 2017TIP3 OH212359 -3.732 0.833 -3.643 + 2017TIP3 H112360 -3.683 0.914 -3.664 + 2017TIP3 H212361 -3.818 0.850 -3.682 + 2018TIP3 OH212362 -4.148 0.308 -4.164 + 2018TIP3 H112363 -4.077 0.370 -4.138 + 2018TIP3 H212364 -4.220 0.369 -4.184 + 2019TIP3 OH212365 -3.544 0.601 -3.693 + 2019TIP3 H112366 -3.576 0.691 -3.674 + 2019TIP3 H212367 -3.608 0.546 -3.646 + 2020TIP3 OH212368 -3.527 1.025 -3.055 + 2020TIP3 H112369 -3.471 1.103 -3.069 + 2020TIP3 H212370 -3.470 0.971 -2.997 + 2021TIP3 OH212371 -3.683 1.120 -3.735 + 2021TIP3 H112372 -3.778 1.134 -3.725 + 2021TIP3 H212373 -3.647 1.207 -3.708 + 2022TIP3 OH212374 -3.173 0.659 -3.080 + 2022TIP3 H112375 -3.218 0.599 -3.018 + 2022TIP3 H212376 -3.136 0.594 -3.145 + 2023TIP3 OH212377 -2.981 0.739 -4.198 + 2023TIP3 H112378 -2.920 0.698 -4.133 + 2023TIP3 H212379 -3.066 0.717 -4.156 + 2024TIP3 OH212380 -2.883 1.058 -2.856 + 2024TIP3 H112381 -2.959 0.998 -2.875 + 2024TIP3 H212382 -2.893 1.133 -2.917 + 2025TIP3 OH212383 -2.478 1.174 -4.153 + 2025TIP3 H112384 -2.408 1.243 -4.142 + 2025TIP3 H212385 -2.558 1.226 -4.133 + 2026TIP3 OH212386 -4.130 -0.231 -2.871 + 2026TIP3 H112387 -4.167 -0.177 -2.942 + 2026TIP3 H212388 -4.115 -0.318 -2.909 + 2027TIP3 OH212389 -2.870 0.592 -3.967 + 2027TIP3 H112390 -2.898 0.519 -3.909 + 2027TIP3 H212391 -2.773 0.586 -3.961 + 2028TIP3 OH212392 -4.130 0.952 -3.046 + 2028TIP3 H112393 -4.060 0.889 -3.027 + 2028TIP3 H212394 -4.117 1.017 -2.975 + 2029TIP3 OH212395 -3.519 0.833 -4.324 + 2029TIP3 H112396 -3.481 0.749 -4.355 + 2029TIP3 H212397 -3.576 0.802 -4.251 + 2030TIP3 OH212398 -3.666 0.786 -4.073 + 2030TIP3 H112399 -3.612 0.731 -4.015 + 2030TIP3 H212400 -3.642 0.877 -4.047 + 2031TIP3 OH212401 -3.987 0.525 -4.043 + 2031TIP3 H112402 -4.059 0.564 -3.988 + 2031TIP3 H212403 -3.938 0.605 -4.066 + 2032TIP3 OH212404 -3.217 -0.225 -3.040 + 2032TIP3 H112405 -3.152 -0.188 -2.977 + 2032TIP3 H212406 -3.257 -0.299 -2.990 + 2033TIP3 OH212407 -3.147 -0.269 -3.922 + 2033TIP3 H112408 -3.117 -0.216 -3.997 + 2033TIP3 H212409 -3.100 -0.228 -3.848 + 2034TIP3 OH212410 -3.374 0.946 -4.023 + 2034TIP3 H112411 -3.452 1.000 -4.003 + 2034TIP3 H212412 -3.323 1.006 -4.079 + 2035TIP3 OH212413 -3.408 -0.076 -3.815 + 2035TIP3 H112414 -3.328 -0.021 -3.802 + 2035TIP3 H212415 -3.433 -0.095 -3.722 + 2036TIP3 OH212416 -3.373 0.008 -2.891 + 2036TIP3 H112417 -3.355 0.064 -2.815 + 2036TIP3 H212418 -3.312 -0.066 -2.878 + 2037TIP3 OH212419 -3.343 -0.376 -3.726 + 2037TIP3 H112420 -3.360 -0.311 -3.655 + 2037TIP3 H212421 -3.270 -0.332 -3.773 + 2038TIP3 OH212422 -3.648 1.066 -4.025 + 2038TIP3 H112423 -3.645 1.152 -4.072 + 2038TIP3 H212424 -3.661 1.093 -3.932 + 2039TIP3 OH212425 -3.773 -0.269 -4.075 + 2039TIP3 H112426 -3.771 -0.193 -4.014 + 2039TIP3 H212427 -3.697 -0.321 -4.043 + 2040TIP3 OH212428 -2.726 -0.206 -2.828 + 2040TIP3 H112429 -2.806 -0.159 -2.799 + 2040TIP3 H212430 -2.739 -0.207 -2.924 + 2041TIP3 OH212431 -2.867 0.199 -3.418 + 2041TIP3 H112432 -2.962 0.210 -3.401 + 2041TIP3 H212433 -2.841 0.132 -3.352 + 2042TIP3 OH212434 -3.934 0.817 -4.153 + 2042TIP3 H112435 -3.848 0.840 -4.112 + 2042TIP3 H212436 -3.902 0.770 -4.232 + 2043TIP3 OH212437 -4.097 0.048 -4.280 + 2043TIP3 H112438 -4.101 0.130 -4.228 + 2043TIP3 H212439 -4.189 0.018 -4.283 + 2044TIP3 OH212440 -2.812 1.094 -3.261 + 2044TIP3 H112441 -2.802 1.171 -3.320 + 2044TIP3 H212442 -2.718 1.077 -3.239 + 2045TIP3 OH212443 -4.030 -0.473 -3.373 + 2045TIP3 H112444 -4.058 -0.479 -3.466 + 2045TIP3 H212445 -4.066 -0.556 -3.335 + 2046TIP3 OH212446 -4.135 0.902 -3.738 + 2046TIP3 H112447 -4.229 0.925 -3.745 + 2046TIP3 H212448 -4.102 0.924 -3.826 + 2047TIP3 OH212449 -4.213 1.166 -2.623 + 2047TIP3 H112450 -4.149 1.167 -2.549 + 2047TIP3 H212451 -4.219 1.069 -2.633 + 2048TIP3 OH212452 -3.722 1.084 -2.453 + 2048TIP3 H112453 -3.658 1.016 -2.427 + 2048TIP3 H212454 -3.749 1.051 -2.540 + 2049TIP3 OH212455 -3.302 1.013 -4.328 + 2049TIP3 H112456 -3.386 0.962 -4.324 + 2049TIP3 H212457 -3.242 0.941 -4.353 + 2050TIP3 OH212458 -3.079 0.908 -2.586 + 2050TIP3 H112459 -3.118 0.825 -2.553 + 2050TIP3 H212460 -3.009 0.926 -2.522 + 2051TIP3 OH212461 -2.797 0.948 4.200 + 2051TIP3 H112462 -2.865 0.963 4.266 + 2051TIP3 H212463 -2.729 1.008 4.233 + 2052TIP3 OH212464 -4.198 0.573 -2.568 + 2052TIP3 H112465 -4.188 0.479 -2.590 + 2052TIP3 H212466 -4.291 0.590 -2.590 + 2053TIP3 OH212467 -3.776 0.591 -4.310 + 2053TIP3 H112468 -3.760 0.525 -4.241 + 2053TIP3 H212469 -3.705 0.574 -4.372 + 2054TIP3 OH212470 -3.542 0.556 -2.582 + 2054TIP3 H112471 -3.565 0.583 -2.671 + 2054TIP3 H212472 -3.526 0.460 -2.593 + 2055TIP3 OH212473 -3.244 0.698 -4.349 + 2055TIP3 H112474 -3.230 0.706 -4.253 + 2055TIP3 H212475 -3.180 0.630 -4.374 + 2056TIP3 OH212476 -3.004 0.519 -2.834 + 2056TIP3 H112477 -2.926 0.561 -2.873 + 2056TIP3 H212478 -3.076 0.576 -2.861 + 2057TIP3 OH212479 -4.134 0.254 -2.595 + 2057TIP3 H112480 -4.060 0.190 -2.605 + 2057TIP3 H212481 -4.129 0.267 -2.499 + 2058TIP3 OH212482 -3.675 0.389 -4.090 + 2058TIP3 H112483 -3.734 0.342 -4.030 + 2058TIP3 H212484 -3.638 0.316 -4.143 + 2059TIP3 OH212485 -3.756 0.161 -2.868 + 2059TIP3 H112486 -3.797 0.243 -2.834 + 2059TIP3 H212487 -3.678 0.197 -2.915 + 2060TIP3 OH212488 -3.554 0.200 -4.277 + 2060TIP3 H112489 -3.546 0.171 -4.369 + 2060TIP3 H212490 -3.459 0.196 -4.250 + 2061TIP3 OH212491 -3.218 0.436 -2.502 + 2061TIP3 H112492 -3.129 0.417 -2.537 + 2061TIP3 H212493 -3.243 0.348 -2.469 + 2062TIP3 OH212494 -3.700 -0.111 -2.741 + 2062TIP3 H112495 -3.681 -0.176 -2.811 + 2062TIP3 H212496 -3.707 -0.029 -2.792 + 2063TIP3 OH212497 -3.656 -0.259 -2.996 + 2063TIP3 H112498 -3.600 -0.209 -3.059 + 2063TIP3 H212499 -3.744 -0.257 -3.038 + 2064TIP3 OH212500 -3.509 0.279 -2.956 + 2064TIP3 H112501 -3.418 0.265 -2.990 + 2064TIP3 H212502 -3.528 0.369 -2.988 + 2065TIP3 OH212503 -2.954 0.370 -2.615 + 2065TIP3 H112504 -2.971 0.417 -2.700 + 2065TIP3 H212505 -2.901 0.293 -2.644 + 2066TIP3 OH212506 -3.885 0.083 -2.581 + 2066TIP3 H112507 -3.936 0.004 -2.558 + 2066TIP3 H212508 -3.800 0.046 -2.607 + 2067TIP3 OH212509 -3.585 -0.529 -2.963 + 2067TIP3 H112510 -3.601 -0.434 -2.979 + 2067TIP3 H212511 -3.658 -0.570 -3.015 + 2068TIP3 OH212512 -3.456 -0.068 -2.580 + 2068TIP3 H112513 -3.486 -0.095 -2.492 + 2068TIP3 H212514 -3.534 -0.093 -2.634 + 2069TIP3 OH212515 -3.207 -0.179 -2.692 + 2069TIP3 H112516 -3.291 -0.173 -2.645 + 2069TIP3 H212517 -3.149 -0.225 -2.628 + 2070TIP3 OH212518 -3.002 -0.334 -2.524 + 2070TIP3 H112519 -3.040 -0.411 -2.481 + 2070TIP3 H212520 -2.997 -0.268 -2.453 + 2071TIP3 OH212521 -4.044 -0.208 -2.584 + 2071TIP3 H112522 -3.981 -0.266 -2.630 + 2071TIP3 H212523 -4.031 -0.237 -2.491 + 2072TIP3 OH212524 -3.599 -0.571 -2.682 + 2072TIP3 H112525 -3.554 -0.656 -2.671 + 2072TIP3 H212526 -3.600 -0.563 -2.780 + 2073TIP3 OH212527 -3.503 -0.391 -2.497 + 2073TIP3 H112528 -3.534 -0.452 -2.567 + 2073TIP3 H212529 -3.578 -0.329 -2.490 + 2074TIP3 OH212530 -3.596 1.315 -4.170 + 2074TIP3 H112531 -3.499 1.321 -4.164 + 2074TIP3 H212532 -3.617 1.373 -4.245 + 2075TIP3 OH212533 -4.190 0.760 -4.236 + 2075TIP3 H112534 -4.104 0.777 -4.192 + 2075TIP3 H212535 -4.176 0.674 -4.276 + 2076TIP3 OH212536 -4.277 1.088 -3.525 + 2076TIP3 H112537 -4.269 0.995 -3.499 + 2076TIP3 H212538 -4.243 1.133 -3.446 + 2077TIP3 OH212539 -2.518 1.207 -3.217 + 2077TIP3 H112540 -2.497 1.192 -3.124 + 2077TIP3 H212541 -2.431 1.228 -3.254 + 2078TIP3 OH212542 -2.527 1.143 -2.934 + 2078TIP3 H112543 -2.576 1.066 -2.969 + 2078TIP3 H212544 -2.473 1.099 -2.867 + 2079TIP3 OH212545 -2.725 0.688 -2.507 + 2079TIP3 H112546 -2.812 0.687 -2.466 + 2079TIP3 H212547 -2.681 0.765 -2.468 + 2080TIP3 OH212548 -2.587 0.570 -3.929 + 2080TIP3 H112549 -2.496 0.603 -3.915 + 2080TIP3 H212550 -2.593 0.505 -3.857 + 2081TIP3 OH212551 -2.542 0.368 -3.732 + 2081TIP3 H112552 -2.610 0.313 -3.688 + 2081TIP3 H212553 -2.476 0.382 -3.661 + 2082TIP3 OH212554 -2.573 0.629 -3.234 + 2082TIP3 H112555 -2.516 0.570 -3.286 + 2082TIP3 H212556 -2.548 0.717 -3.265 + 2083TIP3 OH212557 -2.692 0.923 -3.021 + 2083TIP3 H112558 -2.760 0.943 -2.955 + 2083TIP3 H212559 -2.743 0.871 -3.087 + 2084TIP3 OH212560 -2.510 0.339 -4.109 + 2084TIP3 H112561 -2.574 0.366 -4.176 + 2084TIP3 H212562 -2.531 0.402 -4.038 + 2085TIP3 OH212563 -2.689 0.078 -4.212 + 2085TIP3 H112564 -2.661 0.149 -4.273 + 2085TIP3 H212565 -2.660 -0.001 -4.258 + 2086TIP3 OH212566 -2.741 0.181 -3.651 + 2086TIP3 H112567 -2.757 0.086 -3.661 + 2086TIP3 H212568 -2.780 0.196 -3.560 + 2087TIP3 OH212569 -4.232 0.479 -3.241 + 2087TIP3 H112570 -4.242 0.454 -3.334 + 2087TIP3 H212571 -4.176 0.405 -3.208 + 2088TIP3 OH212572 -2.672 0.386 -2.774 + 2088TIP3 H112573 -2.629 0.310 -2.729 + 2088TIP3 H212574 -2.629 0.462 -2.734 + 2089TIP3 OH212575 -2.553 0.185 -2.632 + 2089TIP3 H112576 -2.635 0.131 -2.625 + 2089TIP3 H212577 -2.484 0.117 -2.623 + 2090TIP3 OH212578 -2.768 -0.222 -4.323 + 2090TIP3 H112579 -2.708 -0.268 -4.262 + 2090TIP3 H212580 -2.848 -0.277 -4.321 + 2091TIP3 OH212581 -2.768 -0.060 -3.839 + 2091TIP3 H112582 -2.741 -0.154 -3.829 + 2091TIP3 H212583 -2.686 -0.021 -3.871 + 2092TIP3 OH212584 -2.736 -0.015 -3.287 + 2092TIP3 H112585 -2.641 0.007 -3.288 + 2092TIP3 H212586 -2.756 0.001 -3.193 + 2093TIP3 OH212587 -2.722 0.062 -3.014 + 2093TIP3 H112588 -2.803 0.094 -2.969 + 2093TIP3 H212589 -2.673 0.146 -3.023 + 2094TIP3 OH212590 -4.294 -0.077 -2.661 + 2094TIP3 H112591 -4.203 -0.107 -2.640 + 2094TIP3 H212592 -4.351 -0.124 -2.600 + 2095TIP3 OH212593 -2.453 -0.518 -2.477 + 2095TIP3 H112594 -2.427 -0.584 -2.544 + 2095TIP3 H212595 -2.467 -0.438 -2.531 + 2096TIP3 OH212596 -2.714 -0.338 -3.831 + 2096TIP3 H112597 -2.705 -0.371 -3.740 + 2096TIP3 H212598 -2.790 -0.389 -3.863 + 2097TIP3 OH212599 -4.196 -0.214 -3.327 + 2097TIP3 H112600 -4.162 -0.305 -3.331 + 2097TIP3 H212601 -4.115 -0.162 -3.315 + 2098TIP3 OH212602 -4.327 0.050 -3.241 + 2098TIP3 H112603 -4.300 -0.014 -3.309 + 2098TIP3 H212604 -4.291 0.131 -3.278 + 2099TIP3 OH212605 -2.542 -0.315 -2.641 + 2099TIP3 H112606 -2.624 -0.264 -2.645 + 2099TIP3 H212607 -2.549 -0.361 -2.727 + 2100TIP3 OH212608 -2.512 -0.299 -4.176 + 2100TIP3 H112609 -2.485 -0.370 -4.235 + 2100TIP3 H212610 -2.431 -0.247 -4.168 + 2101TIP3 OH212611 -4.315 -0.338 -3.895 + 2101TIP3 H112612 -4.400 -0.314 -3.935 + 2101TIP3 H212613 -4.257 -0.267 -3.927 + 2102TIP3 OH212614 -2.830 1.197 -3.649 + 2102TIP3 H112615 -2.772 1.172 -3.723 + 2102TIP3 H212616 -2.768 1.244 -3.592 + 2103TIP3 OH212617 -4.295 -0.423 -3.053 + 2103TIP3 H112618 -4.363 -0.458 -2.993 + 2103TIP3 H212619 -4.340 -0.410 -3.137 + 2104TIP3 OH212620 -4.114 0.900 -2.599 + 2104TIP3 H112621 -4.185 0.847 -2.637 + 2104TIP3 H212622 -4.122 0.870 -2.505 + 2105TIP3 OH212623 -3.807 0.972 -3.002 + 2105TIP3 H112624 -3.831 1.060 -3.035 + 2105TIP3 H212625 -3.710 0.977 -3.016 + 2106TIP3 OH212626 -3.354 1.109 -2.696 + 2106TIP3 H112627 -3.342 1.085 -2.602 + 2106TIP3 H212628 -3.266 1.143 -2.719 + 2107TIP3 OH212629 -3.115 1.237 -2.789 + 2107TIP3 H112630 -3.048 1.168 -2.782 + 2107TIP3 H212631 -3.098 1.286 -2.706 + 2108TIP3 OH212632 -2.628 -0.498 -2.860 + 2108TIP3 H112633 -2.708 -0.460 -2.899 + 2108TIP3 H212634 -2.625 -0.587 -2.899 + 2109TIP3 OH212635 -4.077 1.269 -2.974 + 2109TIP3 H112636 -4.140 1.326 -3.021 + 2109TIP3 H212637 -4.098 1.289 -2.882 + 2110TIP3 OH212638 -3.819 1.245 -3.110 + 2110TIP3 H112639 -3.905 1.267 -3.069 + 2110TIP3 H212640 -3.814 1.312 -3.181 + 2111TIP3 OH212641 -3.291 1.234 -3.152 + 2111TIP3 H112642 -3.348 1.270 -3.222 + 2111TIP3 H212643 -3.304 1.302 -3.083 + 2112TIP3 OH212644 -2.895 1.275 -3.063 + 2112TIP3 H112645 -2.889 1.373 -3.062 + 2112TIP3 H212646 -2.827 1.255 -3.131 + 2113TIP3 OH212647 -4.128 1.152 -3.281 + 2113TIP3 H112648 -4.137 1.110 -3.194 + 2113TIP3 H212649 -4.047 1.109 -3.316 + 2114TIP3 OH212650 -3.911 1.029 -3.420 + 2114TIP3 H112651 -3.921 0.934 -3.405 + 2114TIP3 H212652 -3.818 1.044 -3.394 + 2115TIP3 OH212653 -3.627 1.070 -3.339 + 2115TIP3 H112654 -3.610 0.978 -3.366 + 2115TIP3 H212655 -3.623 1.061 -3.243 + 2116TIP3 OH212656 -3.298 -0.342 -3.413 + 2116TIP3 H112657 -3.367 -0.409 -3.397 + 2116TIP3 H212658 -3.235 -0.390 -3.469 + 2117TIP3 OH212659 -2.801 -0.548 -3.369 + 2117TIP3 H112660 -2.727 -0.495 -3.402 + 2117TIP3 H212661 -2.877 -0.506 -3.413 + 2118TIP3 OH212662 -2.592 -0.431 -3.576 + 2118TIP3 H112663 -2.520 -0.467 -3.630 + 2118TIP3 H212664 -2.565 -0.338 -3.565 + 2119TIP3 OH212665 -4.105 -0.482 -3.657 + 2119TIP3 H112666 -4.181 -0.513 -3.709 + 2119TIP3 H212667 -4.045 -0.559 -3.665 + 2120TIP3 OH212668 -4.179 -0.515 -4.082 + 2120TIP3 H112669 -4.130 -0.448 -4.133 + 2120TIP3 H212670 -4.230 -0.461 -4.020 + 2121TIP3 OH212671 -3.615 -0.486 -3.665 + 2121TIP3 H112672 -3.525 -0.454 -3.679 + 2121TIP3 H212673 -3.616 -0.496 -3.568 + 2122TIP3 OH212674 -3.056 -0.483 -3.525 + 2122TIP3 H112675 -3.030 -0.497 -3.617 + 2122TIP3 H212676 -3.094 -0.570 -3.500 + 2123TIP3 OH212677 -2.948 -0.485 -3.922 + 2123TIP3 H112678 -3.027 -0.436 -3.950 + 2123TIP3 H212679 -2.984 -0.576 -3.918 + 2124TIP3 OH212680 -4.188 1.083 -3.975 + 2124TIP3 H112681 -4.256 1.069 -4.041 + 2124TIP3 H212682 -4.181 1.179 -3.974 + 2125TIP3 OH212683 -4.010 -0.334 -4.231 + 2125TIP3 H112684 -3.962 -0.400 -4.282 + 2125TIP3 H212685 -3.939 -0.296 -4.176 + 2126TIP3 OH212686 -3.503 -0.323 -3.959 + 2126TIP3 H112687 -3.463 -0.377 -3.889 + 2126TIP3 H212688 -3.477 -0.235 -3.927 + 2127TIP3 OH212689 -3.316 1.242 -4.156 + 2127TIP3 H112690 -3.226 1.276 -4.154 + 2127TIP3 H212691 -3.313 1.178 -4.230 + 2128TIP3 OH212692 -2.643 1.159 -3.881 + 2128TIP3 H112693 -2.661 1.073 -3.925 + 2128TIP3 H212694 -2.656 1.222 -3.955 + 2129TIP3 OH212695 -3.863 -0.500 -2.541 + 2129TIP3 H112696 -3.782 -0.537 -2.579 + 2129TIP3 H212697 -3.902 -0.579 -2.499 + 2130TIP3 OH212698 -3.977 1.181 -4.243 + 2130TIP3 H112699 -4.013 1.209 -4.159 + 2130TIP3 H212700 -3.914 1.113 -4.219 + 2131TIP3 OH212701 -3.035 -0.618 -2.515 + 2131TIP3 H112702 -3.028 -0.644 -2.421 + 2131TIP3 H212703 -2.944 -0.592 -2.536 + 2132TIP3 OH212704 -2.694 1.039 -2.642 + 2132TIP3 H112705 -2.767 1.017 -2.702 + 2132TIP3 H212706 -2.715 1.132 -2.620 + 2133TIP3 OH212707 -1.274 0.404 -3.628 + 2133TIP3 H112708 -1.276 0.500 -3.616 + 2133TIP3 H212709 -1.352 0.391 -3.684 + 2134TIP3 OH212710 -1.390 0.349 -3.319 + 2134TIP3 H112711 -1.390 0.293 -3.240 + 2134TIP3 H212712 -1.417 0.286 -3.388 + 2135TIP3 OH212713 -2.141 0.307 -3.155 + 2135TIP3 H112714 -2.146 0.232 -3.093 + 2135TIP3 H212715 -2.073 0.361 -3.112 + 2136TIP3 OH212716 -1.022 0.623 -3.488 + 2136TIP3 H112717 -1.058 0.551 -3.435 + 2136TIP3 H212718 -0.991 0.683 -3.419 + 2137TIP3 OH212719 -2.076 0.772 -3.304 + 2137TIP3 H112720 -2.101 0.680 -3.328 + 2137TIP3 H212721 -1.984 0.758 -3.279 + 2138TIP3 OH212722 -2.375 0.114 -3.765 + 2138TIP3 H112723 -2.420 0.199 -3.752 + 2138TIP3 H212724 -2.446 0.061 -3.802 + 2139TIP3 OH212725 -2.295 0.359 -3.577 + 2139TIP3 H112726 -2.283 0.274 -3.530 + 2139TIP3 H212727 -2.212 0.364 -3.627 + 2140TIP3 OH212728 -1.313 1.160 -3.427 + 2140TIP3 H112729 -1.257 1.090 -3.466 + 2140TIP3 H212730 -1.343 1.118 -3.345 + 2141TIP3 OH212731 -1.540 0.601 -3.264 + 2141TIP3 H112732 -1.510 0.528 -3.320 + 2141TIP3 H212733 -1.459 0.614 -3.211 + 2142TIP3 OH212734 -0.675 -0.247 -3.201 + 2142TIP3 H112735 -0.651 -0.189 -3.127 + 2142TIP3 H212736 -0.612 -0.218 -3.269 + 2143TIP3 OH212737 -1.210 0.034 -3.213 + 2143TIP3 H112738 -1.198 -0.062 -3.205 + 2143TIP3 H212739 -1.221 0.044 -3.309 + 2144TIP3 OH212740 -1.912 -0.166 -3.506 + 2144TIP3 H112741 -1.900 -0.080 -3.550 + 2144TIP3 H212742 -1.951 -0.218 -3.579 + 2145TIP3 OH212743 -1.130 -0.152 -3.675 + 2145TIP3 H112744 -1.074 -0.194 -3.608 + 2145TIP3 H212745 -1.064 -0.106 -3.729 + 2146TIP3 OH212746 -2.243 0.111 -3.455 + 2146TIP3 H112747 -2.184 0.061 -3.396 + 2146TIP3 H212748 -2.237 0.058 -3.537 + 2147TIP3 OH212749 -1.705 0.246 -3.509 + 2147TIP3 H112750 -1.636 0.191 -3.469 + 2147TIP3 H212751 -1.757 0.179 -3.558 + 2148TIP3 OH212752 -0.602 -0.111 -2.952 + 2148TIP3 H112753 -0.663 -0.040 -2.978 + 2148TIP3 H212754 -0.618 -0.115 -2.857 + 2149TIP3 OH212755 -2.033 -0.288 -3.090 + 2149TIP3 H112756 -2.074 -0.235 -3.160 + 2149TIP3 H212757 -2.098 -0.275 -3.018 + 2150TIP3 OH212758 -1.283 0.691 -3.750 + 2150TIP3 H112759 -1.317 0.665 -3.836 + 2150TIP3 H212760 -1.331 0.774 -3.733 + 2151TIP3 OH212761 -1.739 0.502 -3.076 + 2151TIP3 H112762 -1.814 0.560 -3.051 + 2151TIP3 H212763 -1.679 0.564 -3.121 + 2152TIP3 OH212764 -0.945 -0.224 -3.470 + 2152TIP3 H112765 -0.987 -0.283 -3.405 + 2152TIP3 H212766 -0.894 -0.165 -3.412 + 2153TIP3 OH212767 -2.073 -0.082 -3.295 + 2153TIP3 H112768 -2.009 -0.025 -3.248 + 2153TIP3 H212769 -2.016 -0.119 -3.365 + 2154TIP3 OH212770 -1.940 0.689 -3.003 + 2154TIP3 H112771 -1.947 0.782 -3.033 + 2154TIP3 H212772 -2.027 0.679 -2.961 + 2155TIP3 OH212773 -2.309 0.659 -3.919 + 2155TIP3 H112774 -2.332 0.702 -4.004 + 2155TIP3 H212775 -2.296 0.734 -3.858 + 2156TIP3 OH212776 -0.965 0.804 -3.236 + 2156TIP3 H112777 -1.062 0.815 -3.236 + 2156TIP3 H212778 -0.937 0.889 -3.276 + 2157TIP3 OH212779 -0.933 -0.310 -3.085 + 2157TIP3 H112780 -1.010 -0.270 -3.130 + 2157TIP3 H212781 -0.860 -0.290 -3.148 + 2158TIP3 OH212782 -1.620 -0.537 -3.381 + 2158TIP3 H112783 -1.642 -0.632 -3.384 + 2158TIP3 H212784 -1.702 -0.499 -3.343 + 2159TIP3 OH212785 -1.137 0.999 -3.581 + 2159TIP3 H112786 -1.090 0.919 -3.612 + 2159TIP3 H212787 -1.067 1.067 -3.594 + 2160TIP3 OH212788 -0.991 0.786 -3.719 + 2160TIP3 H112789 -1.041 0.739 -3.788 + 2160TIP3 H212790 -0.996 0.721 -3.646 + 2161TIP3 OH212791 -0.840 0.670 -2.871 + 2161TIP3 H112792 -0.847 0.600 -2.939 + 2161TIP3 H212793 -0.821 0.749 -2.925 + 2162TIP3 OH212794 -1.406 0.355 -3.905 + 2162TIP3 H112795 -1.474 0.416 -3.940 + 2162TIP3 H212796 -1.334 0.364 -3.970 + 2163TIP3 OH212797 -1.389 0.180 -4.207 + 2163TIP3 H112798 -1.321 0.210 -4.144 + 2163TIP3 H212799 -1.335 0.118 -4.262 + 2164TIP3 OH212800 -0.659 0.284 -3.076 + 2164TIP3 H112801 -0.732 0.348 -3.066 + 2164TIP3 H212802 -0.613 0.319 -3.155 + 2165TIP3 OH212803 -1.058 0.357 -3.794 + 2165TIP3 H112804 -1.127 0.377 -3.727 + 2165TIP3 H212805 -0.999 0.299 -3.742 + 2166TIP3 OH212806 -1.074 0.211 -2.908 + 2166TIP3 H112807 -1.068 0.293 -2.857 + 2166TIP3 H212808 -1.140 0.238 -2.974 + 2167TIP3 OH212809 -1.897 0.435 -3.617 + 2167TIP3 H112810 -1.930 0.390 -3.698 + 2167TIP3 H212811 -1.835 0.369 -3.582 + 2168TIP3 OH212812 -1.760 0.777 -3.343 + 2168TIP3 H112813 -1.775 0.734 -3.429 + 2168TIP3 H212814 -1.682 0.728 -3.310 + 2169TIP3 OH212815 -1.840 0.315 -3.268 + 2169TIP3 H112816 -1.781 0.318 -3.346 + 2169TIP3 H212817 -1.799 0.381 -3.208 + 2170TIP3 OH212818 -1.248 0.871 -3.206 + 2170TIP3 H112819 -1.242 0.930 -3.130 + 2170TIP3 H212820 -1.269 0.785 -3.167 + 2171TIP3 OH212821 -1.749 0.756 -2.789 + 2171TIP3 H112822 -1.807 0.812 -2.735 + 2171TIP3 H212823 -1.812 0.720 -2.854 + 2172TIP3 OH212824 -1.151 0.303 -4.057 + 2172TIP3 H112825 -1.109 0.329 -3.972 + 2172TIP3 H212826 -1.090 0.345 -4.121 + 2173TIP3 OH212827 -2.066 0.391 -2.875 + 2173TIP3 H112828 -2.061 0.440 -2.792 + 2173TIP3 H212829 -2.161 0.369 -2.880 + 2174TIP3 OH212830 -1.419 0.962 -3.695 + 2174TIP3 H112831 -1.367 0.987 -3.619 + 2174TIP3 H212832 -1.465 1.043 -3.719 + 2175TIP3 OH212833 -1.947 0.969 -2.699 + 2175TIP3 H112834 -1.957 0.967 -2.796 + 2175TIP3 H212835 -2.035 0.939 -2.669 + 2176TIP3 OH212836 -0.809 -0.535 -4.078 + 2176TIP3 H112837 -0.904 -0.523 -4.055 + 2176TIP3 H212838 -0.784 -0.444 -4.100 + 2177TIP3 OH212839 -2.005 0.308 -3.863 + 2177TIP3 H112840 -2.031 0.383 -3.920 + 2177TIP3 H212841 -2.073 0.243 -3.886 + 2178TIP3 OH212842 -0.705 0.895 -4.242 + 2178TIP3 H112843 -0.672 0.983 -4.218 + 2178TIP3 H212844 -0.626 0.839 -4.239 + 2179TIP3 OH212845 -2.399 0.575 -2.990 + 2179TIP3 H112846 -2.445 0.571 -3.076 + 2179TIP3 H212847 -2.388 0.479 -2.971 + 2180TIP3 OH212848 -2.395 0.872 -3.297 + 2180TIP3 H112849 -2.306 0.835 -3.294 + 2180TIP3 H212850 -2.397 0.925 -3.217 + 2181TIP3 OH212851 -0.558 0.929 -2.722 + 2181TIP3 H112852 -0.567 0.834 -2.738 + 2181TIP3 H212853 -0.649 0.951 -2.691 + 2182TIP3 OH212854 -1.494 0.884 -2.826 + 2182TIP3 H112855 -1.490 0.955 -2.761 + 2182TIP3 H212856 -1.580 0.842 -2.806 + 2183TIP3 OH212857 -1.462 1.232 -3.846 + 2183TIP3 H112858 -1.462 1.242 -3.943 + 2183TIP3 H212859 -1.456 1.324 -3.815 + 2184TIP3 OH212860 -2.085 1.147 -3.680 + 2184TIP3 H112861 -2.066 1.102 -3.595 + 2184TIP3 H212862 -2.166 1.102 -3.705 + 2185TIP3 OH212863 -1.137 1.189 -4.146 + 2185TIP3 H112864 -1.091 1.131 -4.210 + 2185TIP3 H212865 -1.129 1.137 -4.065 + 2186TIP3 OH212866 -1.189 1.124 -3.860 + 2186TIP3 H112867 -1.283 1.136 -3.841 + 2186TIP3 H212868 -1.167 1.051 -3.799 + 2187TIP3 OH212869 -0.878 0.068 -2.674 + 2187TIP3 H112870 -0.930 0.103 -2.747 + 2187TIP3 H212871 -0.874 -0.027 -2.695 + 2188TIP3 OH212872 -2.182 0.732 -2.863 + 2188TIP3 H112873 -2.153 0.682 -2.784 + 2188TIP3 H212874 -2.255 0.677 -2.897 + 2189TIP3 OH212875 -1.862 -0.422 -3.289 + 2189TIP3 H112876 -1.945 -0.429 -3.339 + 2189TIP3 H212877 -1.885 -0.351 -3.228 + 2190TIP3 OH212878 -1.424 -0.467 -2.927 + 2190TIP3 H112879 -1.372 -0.516 -2.861 + 2190TIP3 H212880 -1.515 -0.498 -2.911 + 2191TIP3 OH212881 -1.110 -0.085 -2.873 + 2191TIP3 H112882 -1.169 -0.102 -2.798 + 2191TIP3 H212883 -1.117 0.012 -2.885 + 2192TIP3 OH212884 -0.926 0.383 -4.252 + 2192TIP3 H112885 -0.976 0.369 -4.334 + 2192TIP3 H212886 -0.897 0.474 -4.266 + 2193TIP3 OH212887 -1.442 -0.226 -4.216 + 2193TIP3 H112888 -1.497 -0.222 -4.136 + 2193TIP3 H212889 -1.487 -0.295 -4.266 + 2194TIP3 OH212890 -1.876 0.056 -3.148 + 2194TIP3 H112891 -1.934 0.065 -3.071 + 2194TIP3 H212892 -1.871 0.147 -3.183 + 2195TIP3 OH212893 -1.882 0.065 -3.661 + 2195TIP3 H112894 -1.978 0.053 -3.675 + 2195TIP3 H212895 -1.848 0.043 -3.750 + 2196TIP3 OH212896 -1.314 0.118 -3.786 + 2196TIP3 H112897 -1.355 0.201 -3.818 + 2196TIP3 H212898 -1.250 0.098 -3.857 + 2197TIP3 OH212899 -1.402 0.140 -2.647 + 2197TIP3 H112900 -1.453 0.065 -2.610 + 2197TIP3 H212901 -1.316 0.127 -2.603 + 2198TIP3 OH212902 -1.235 0.059 -3.506 + 2198TIP3 H112903 -1.263 0.116 -3.580 + 2198TIP3 H212904 -1.215 -0.023 -3.556 + 2199TIP3 OH212905 -2.138 0.072 -2.966 + 2199TIP3 H112906 -2.118 0.102 -2.876 + 2199TIP3 H212907 -2.178 -0.014 -2.948 + 2200TIP3 OH212908 -1.766 -0.187 -4.313 + 2200TIP3 H112909 -1.802 -0.213 -4.226 + 2200TIP3 H212910 -1.842 -0.136 -4.349 + 2201TIP3 OH212911 -2.453 -0.176 -3.604 + 2201TIP3 H112912 -2.396 -0.184 -3.525 + 2201TIP3 H212913 -2.404 -0.223 -3.673 + 2202TIP3 OH212914 -2.300 -0.138 -4.039 + 2202TIP3 H112915 -2.244 -0.088 -4.102 + 2202TIP3 H212916 -2.368 -0.071 -4.017 + 2203TIP3 OH212917 -1.324 0.228 -3.057 + 2203TIP3 H112918 -1.281 0.155 -3.108 + 2203TIP3 H212919 -1.360 0.178 -2.982 + 2204TIP3 OH212920 -1.605 -0.178 -3.558 + 2204TIP3 H112921 -1.700 -0.181 -3.535 + 2204TIP3 H212922 -1.564 -0.197 -3.472 + 2205TIP3 OH212923 -2.145 -0.054 -3.692 + 2205TIP3 H112924 -2.230 -0.029 -3.733 + 2205TIP3 H212925 -2.119 -0.135 -3.741 + 2206TIP3 OH212926 -1.787 -0.017 -3.923 + 2206TIP3 H112927 -1.690 -0.010 -3.916 + 2206TIP3 H212928 -1.810 0.043 -3.996 + 2207TIP3 OH212929 -1.166 -0.263 -3.257 + 2207TIP3 H112930 -1.228 -0.263 -3.181 + 2207TIP3 H212931 -1.225 -0.297 -3.326 + 2208TIP3 OH212932 -1.929 0.100 -4.159 + 2208TIP3 H112933 -1.991 0.048 -4.213 + 2208TIP3 H212934 -1.854 0.113 -4.218 + 2209TIP3 OH212935 -0.871 1.321 -2.589 + 2209TIP3 H112936 -0.840 1.358 -2.673 + 2209TIP3 H212937 -0.797 1.343 -2.530 + 2210TIP3 OH212938 -2.071 0.583 -2.644 + 2210TIP3 H112939 -2.008 0.583 -2.569 + 2210TIP3 H212940 -2.154 0.569 -2.595 + 2211TIP3 OH212941 -1.503 0.078 -3.375 + 2211TIP3 H112942 -1.430 0.032 -3.420 + 2211TIP3 H212943 -1.521 0.017 -3.300 + 2212TIP3 OH212944 -1.972 -0.282 -3.765 + 2212TIP3 H112945 -2.028 -0.359 -3.746 + 2212TIP3 H212946 -1.889 -0.323 -3.793 + 2213TIP3 OH212947 -1.605 -0.075 -3.152 + 2213TIP3 H112948 -1.684 -0.019 -3.147 + 2213TIP3 H212949 -1.557 -0.052 -3.070 + 2214TIP3 OH212950 -1.592 0.562 -3.961 + 2214TIP3 H112951 -1.668 0.511 -3.995 + 2214TIP3 H212952 -1.611 0.566 -3.864 + 2215TIP3 OH212953 -0.870 0.479 -3.087 + 2215TIP3 H112954 -0.820 0.532 -3.152 + 2215TIP3 H212955 -0.955 0.466 -3.132 + 2216TIP3 OH212956 -1.176 -0.160 -4.185 + 2216TIP3 H112957 -1.274 -0.164 -4.185 + 2216TIP3 H212958 -1.155 -0.085 -4.126 + 2217TIP3 OH212959 -1.425 0.575 -2.829 + 2217TIP3 H112960 -1.455 0.529 -2.749 + 2217TIP3 H212961 -1.466 0.662 -2.820 + 2218TIP3 OH212962 -1.115 0.024 -3.988 + 2218TIP3 H112963 -1.029 0.006 -3.946 + 2218TIP3 H212964 -1.100 0.111 -4.029 + 2219TIP3 OH212965 -2.075 0.503 -3.377 + 2219TIP3 H112966 -2.022 0.488 -3.457 + 2219TIP3 H212967 -2.071 0.417 -3.333 + 2220TIP3 OH212968 -1.348 0.696 -4.069 + 2220TIP3 H112969 -1.377 0.784 -4.037 + 2220TIP3 H212970 -1.425 0.642 -4.042 + 2221TIP3 OH212971 -2.348 0.326 -2.852 + 2221TIP3 H112972 -2.341 0.282 -2.765 + 2221TIP3 H212973 -2.420 0.275 -2.894 + 2222TIP3 OH212974 -1.653 0.285 -2.656 + 2222TIP3 H112975 -1.689 0.252 -2.740 + 2222TIP3 H212976 -1.562 0.249 -2.661 + 2223TIP3 OH212977 -1.201 0.836 -2.885 + 2223TIP3 H112978 -1.298 0.836 -2.886 + 2223TIP3 H212979 -1.182 0.843 -2.790 + 2224TIP3 OH212980 -0.642 0.033 -3.999 + 2224TIP3 H112981 -0.706 0.015 -4.071 + 2224TIP3 H212982 -0.632 0.128 -4.016 + 2225TIP3 OH212983 -0.604 0.636 -2.727 + 2225TIP3 H112984 -0.699 0.653 -2.744 + 2225TIP3 H212985 -0.572 0.613 -2.816 + 2226TIP3 OH212986 -0.823 0.889 -3.990 + 2226TIP3 H112987 -0.849 0.809 -3.942 + 2226TIP3 H212988 -0.787 0.854 -4.073 + 2227TIP3 OH212989 -1.104 0.423 -3.258 + 2227TIP3 H112990 -1.197 0.404 -3.280 + 2227TIP3 H212991 -1.060 0.349 -3.305 + 2228TIP3 OH212992 -1.840 0.829 -3.653 + 2228TIP3 H112993 -1.799 0.916 -3.666 + 2228TIP3 H212994 -1.932 0.847 -3.676 + 2229TIP3 OH212995 -2.233 0.320 -4.200 + 2229TIP3 H112996 -2.179 0.386 -4.151 + 2229TIP3 H212997 -2.323 0.340 -4.168 + 2230TIP3 OH212998 -1.657 0.599 -3.690 + 2230TIP3 H112999 -1.690 0.689 -3.675 + 2230TIP3 H213000 -1.727 0.547 -3.648 + 2231TIP3 OH213001 -1.639 1.022 -3.052 + 2231TIP3 H113002 -1.582 1.094 -3.085 + 2231TIP3 H213003 -1.577 0.973 -2.996 + 2232TIP3 OH213004 -1.796 1.120 -3.733 + 2232TIP3 H113005 -1.892 1.133 -3.724 + 2232TIP3 H213006 -1.761 1.207 -3.708 + 2233TIP3 OH213007 -1.299 0.602 -3.097 + 2233TIP3 H113008 -1.330 0.572 -3.010 + 2233TIP3 H213009 -1.227 0.539 -3.116 + 2234TIP3 OH213010 -1.089 0.716 -4.196 + 2234TIP3 H113011 -1.036 0.678 -4.124 + 2234TIP3 H213012 -1.177 0.713 -4.155 + 2235TIP3 OH213013 -1.010 1.062 -2.853 + 2235TIP3 H113014 -1.083 1.013 -2.895 + 2235TIP3 H213015 -1.000 1.139 -2.913 + 2236TIP3 OH213016 -0.591 1.171 -4.139 + 2236TIP3 H113017 -0.524 1.242 -4.145 + 2236TIP3 H213018 -0.673 1.225 -4.131 + 2237TIP3 OH213019 -2.220 -0.209 -2.894 + 2237TIP3 H113020 -2.311 -0.178 -2.911 + 2237TIP3 H213021 -2.236 -0.293 -2.847 + 2238TIP3 OH213022 -0.985 0.588 -3.967 + 2238TIP3 H113023 -1.012 0.517 -3.905 + 2238TIP3 H213024 -0.888 0.585 -3.959 + 2239TIP3 OH213025 -2.245 0.969 -3.050 + 2239TIP3 H113026 -2.218 0.877 -3.035 + 2239TIP3 H213027 -2.222 1.007 -2.965 + 2240TIP3 OH213028 -1.635 0.832 -4.326 + 2240TIP3 H113029 -1.596 0.748 -4.355 + 2240TIP3 H213030 -1.691 0.802 -4.251 + 2241TIP3 OH213031 -1.781 0.787 -4.074 + 2241TIP3 H113032 -1.727 0.733 -4.014 + 2241TIP3 H213033 -1.757 0.878 -4.047 + 2242TIP3 OH213034 -2.092 0.523 -4.037 + 2242TIP3 H113035 -2.168 0.564 -3.989 + 2242TIP3 H213036 -2.045 0.603 -4.067 + 2243TIP3 OH213037 -1.322 -0.224 -3.037 + 2243TIP3 H113038 -1.263 -0.196 -2.966 + 2243TIP3 H213039 -1.373 -0.297 -2.995 + 2244TIP3 OH213040 -1.263 -0.269 -3.921 + 2244TIP3 H113041 -1.233 -0.218 -3.998 + 2244TIP3 H213042 -1.214 -0.227 -3.849 + 2245TIP3 OH213043 -1.483 0.946 -4.027 + 2245TIP3 H113044 -1.561 0.998 -4.003 + 2245TIP3 H213045 -1.431 1.011 -4.076 + 2246TIP3 OH213046 -1.520 -0.076 -3.815 + 2246TIP3 H113047 -1.441 -0.020 -3.800 + 2246TIP3 H213048 -1.549 -0.095 -3.724 + 2247TIP3 OH213049 -1.478 0.013 -2.901 + 2247TIP3 H113050 -1.477 0.063 -2.817 + 2247TIP3 H213051 -1.429 -0.066 -2.875 + 2248TIP3 OH213052 -1.457 -0.376 -3.724 + 2248TIP3 H113053 -1.477 -0.308 -3.656 + 2248TIP3 H213054 -1.386 -0.331 -3.774 + 2249TIP3 OH213055 -1.763 1.065 -4.025 + 2249TIP3 H113056 -1.759 1.151 -4.073 + 2249TIP3 H213057 -1.776 1.093 -3.932 + 2250TIP3 OH213058 -1.885 -0.269 -4.081 + 2250TIP3 H113059 -1.894 -0.199 -4.013 + 2250TIP3 H213060 -1.811 -0.321 -4.044 + 2251TIP3 OH213061 -0.856 -0.185 -2.811 + 2251TIP3 H113062 -0.952 -0.173 -2.826 + 2251TIP3 H213063 -0.830 -0.210 -2.901 + 2252TIP3 OH213064 -1.003 0.197 -3.409 + 2252TIP3 H113065 -1.086 0.151 -3.434 + 2252TIP3 H213066 -0.955 0.126 -3.361 + 2253TIP3 OH213067 -2.051 0.823 -4.158 + 2253TIP3 H113068 -1.968 0.847 -4.114 + 2253TIP3 H213069 -2.016 0.769 -4.231 + 2254TIP3 OH213070 -2.225 0.038 -4.258 + 2254TIP3 H113071 -2.213 0.133 -4.239 + 2254TIP3 H213072 -2.317 0.036 -4.289 + 2255TIP3 OH213073 -0.905 1.085 -3.267 + 2255TIP3 H113074 -0.918 1.166 -3.320 + 2255TIP3 H213075 -0.811 1.095 -3.244 + 2256TIP3 OH213076 -2.137 -0.469 -3.371 + 2256TIP3 H113077 -2.159 -0.469 -3.467 + 2256TIP3 H213078 -2.175 -0.553 -3.340 + 2257TIP3 OH213079 -2.249 0.892 -3.742 + 2257TIP3 H113080 -2.334 0.936 -3.729 + 2257TIP3 H213081 -2.214 0.934 -3.821 + 2258TIP3 OH213082 -2.312 1.173 -2.629 + 2258TIP3 H113083 -2.254 1.142 -2.557 + 2258TIP3 H213084 -2.350 1.087 -2.659 + 2259TIP3 OH213085 -1.827 1.085 -2.461 + 2259TIP3 H113086 -1.772 1.010 -2.434 + 2259TIP3 H213087 -1.868 1.049 -2.542 + 2260TIP3 OH213088 -1.421 1.015 -4.332 + 2260TIP3 H113089 -1.501 0.959 -4.326 + 2260TIP3 H213090 -1.354 0.948 -4.351 + 2261TIP3 OH213091 -1.199 0.911 -2.581 + 2261TIP3 H113092 -1.233 0.825 -2.549 + 2261TIP3 H213093 -1.120 0.922 -2.524 + 2262TIP3 OH213094 -1.026 0.982 -4.285 + 2262TIP3 H113095 -0.980 0.911 -4.238 + 2262TIP3 H213096 -0.954 1.038 -4.321 + 2263TIP3 OH213097 -2.313 0.546 -2.523 + 2263TIP3 H113098 -2.308 0.449 -2.537 + 2263TIP3 H213099 -2.393 0.568 -2.573 + 2264TIP3 OH213100 -1.888 0.597 -4.306 + 2264TIP3 H113101 -1.878 0.525 -4.243 + 2264TIP3 H213102 -1.821 0.575 -4.373 + 2265TIP3 OH213103 -1.652 0.559 -2.584 + 2265TIP3 H113104 -1.684 0.583 -2.672 + 2265TIP3 H213105 -1.642 0.461 -2.592 + 2266TIP3 OH213106 -1.360 0.696 -4.348 + 2266TIP3 H113107 -1.342 0.709 -4.253 + 2266TIP3 H213108 -1.294 0.630 -4.372 + 2267TIP3 OH213109 -1.117 0.516 -2.843 + 2267TIP3 H113110 -1.037 0.568 -2.862 + 2267TIP3 H213111 -1.187 0.582 -2.846 + 2268TIP3 OH213112 -2.233 0.253 -2.596 + 2268TIP3 H113113 -2.169 0.179 -2.596 + 2268TIP3 H213114 -2.239 0.268 -2.500 + 2269TIP3 OH213115 -1.786 0.386 -4.088 + 2269TIP3 H113116 -1.849 0.341 -4.030 + 2269TIP3 H213117 -1.752 0.313 -4.143 + 2270TIP3 OH213118 -1.863 0.162 -2.855 + 2270TIP3 H113119 -1.917 0.240 -2.834 + 2270TIP3 H213120 -1.799 0.199 -2.918 + 2271TIP3 OH213121 -1.668 0.199 -4.276 + 2271TIP3 H113122 -1.663 0.171 -4.369 + 2271TIP3 H213123 -1.573 0.196 -4.251 + 2272TIP3 OH213124 -1.334 0.438 -2.503 + 2272TIP3 H113125 -1.244 0.413 -2.530 + 2272TIP3 H213126 -1.362 0.358 -2.456 + 2273TIP3 OH213127 -1.803 -0.105 -2.741 + 2273TIP3 H113128 -1.800 -0.173 -2.811 + 2273TIP3 H213129 -1.828 -0.025 -2.792 + 2274TIP3 OH213130 -1.771 -0.262 -2.997 + 2274TIP3 H113131 -1.721 -0.209 -3.062 + 2274TIP3 H213132 -1.863 -0.258 -3.032 + 2275TIP3 OH213133 -1.616 0.285 -2.957 + 2275TIP3 H113134 -1.533 0.274 -3.005 + 2275TIP3 H213135 -1.647 0.371 -2.989 + 2276TIP3 OH213136 -1.158 0.072 -2.474 + 2276TIP3 H113137 -1.135 -0.022 -2.467 + 2276TIP3 H213138 -1.071 0.112 -2.482 + 2277TIP3 OH213139 -1.062 0.357 -2.625 + 2277TIP3 H113140 -1.096 0.417 -2.695 + 2277TIP3 H213141 -0.973 0.339 -2.660 + 2278TIP3 OH213142 -1.980 0.080 -2.556 + 2278TIP3 H113143 -2.037 0.001 -2.551 + 2278TIP3 H213144 -1.902 0.045 -2.603 + 2279TIP3 OH213145 -1.699 -0.528 -2.962 + 2279TIP3 H113146 -1.717 -0.433 -2.977 + 2279TIP3 H213147 -1.770 -0.569 -3.015 + 2280TIP3 OH213148 -1.575 -0.069 -2.582 + 2280TIP3 H113149 -1.607 -0.094 -2.494 + 2280TIP3 H213150 -1.654 -0.090 -2.635 + 2281TIP3 OH213151 -1.319 -0.169 -2.697 + 2281TIP3 H113152 -1.407 -0.163 -2.654 + 2281TIP3 H213153 -1.272 -0.228 -2.635 + 2282TIP3 OH213154 -1.141 -0.310 -2.512 + 2282TIP3 H113155 -1.151 -0.407 -2.501 + 2282TIP3 H213156 -1.155 -0.277 -2.421 + 2283TIP3 OH213157 -2.116 -0.178 -2.576 + 2283TIP3 H113158 -2.127 -0.250 -2.640 + 2283TIP3 H213159 -2.139 -0.223 -2.492 + 2284TIP3 OH213160 -1.716 -0.581 -2.680 + 2284TIP3 H113161 -1.656 -0.656 -2.674 + 2284TIP3 H213162 -1.718 -0.564 -2.776 + 2285TIP3 OH213163 -1.618 -0.391 -2.500 + 2285TIP3 H113164 -1.653 -0.451 -2.568 + 2285TIP3 H213165 -1.689 -0.326 -2.489 + 2286TIP3 OH213166 -1.708 1.312 -4.171 + 2286TIP3 H113167 -1.612 1.326 -4.162 + 2286TIP3 H213168 -1.732 1.372 -4.243 + 2287TIP3 OH213169 -2.323 0.722 -4.195 + 2287TIP3 H113170 -2.231 0.753 -4.200 + 2287TIP3 H213171 -2.331 0.664 -4.273 + 2288TIP3 OH213172 -2.422 1.270 -3.719 + 2288TIP3 H113173 -2.494 1.233 -3.775 + 2288TIP3 H213174 -2.414 1.202 -3.650 + 2289TIP3 OH213175 -2.388 1.075 -3.519 + 2289TIP3 H113176 -2.412 0.985 -3.490 + 2289TIP3 H213177 -2.348 1.107 -3.436 + 2290TIP3 OH213178 -0.631 1.204 -3.218 + 2290TIP3 H113179 -0.612 1.195 -3.124 + 2290TIP3 H213180 -0.544 1.228 -3.253 + 2291TIP3 OH213181 -0.641 1.144 -2.931 + 2291TIP3 H113182 -0.692 1.069 -2.967 + 2291TIP3 H213183 -0.585 1.097 -2.867 + 2292TIP3 OH213184 -0.842 0.688 -2.506 + 2292TIP3 H113185 -0.924 0.683 -2.454 + 2292TIP3 H213186 -0.794 0.762 -2.467 + 2293TIP3 OH213187 -0.700 0.569 -3.930 + 2293TIP3 H113188 -0.611 0.605 -3.916 + 2293TIP3 H213189 -0.705 0.506 -3.856 + 2294TIP3 OH213190 -0.655 0.370 -3.732 + 2294TIP3 H113191 -0.722 0.315 -3.687 + 2294TIP3 H213192 -0.587 0.383 -3.663 + 2295TIP3 OH213193 -0.683 0.623 -3.235 + 2295TIP3 H113194 -0.620 0.572 -3.289 + 2295TIP3 H213195 -0.666 0.714 -3.266 + 2296TIP3 OH213196 -0.812 0.920 -3.010 + 2296TIP3 H113197 -0.886 0.951 -2.956 + 2296TIP3 H213198 -0.857 0.880 -3.086 + 2297TIP3 OH213199 -0.624 0.340 -4.109 + 2297TIP3 H113200 -0.690 0.365 -4.175 + 2297TIP3 H213201 -0.645 0.403 -4.039 + 2298TIP3 OH213202 -0.803 0.077 -4.210 + 2298TIP3 H113203 -0.780 0.149 -4.272 + 2298TIP3 H213204 -0.775 -0.001 -4.259 + 2299TIP3 OH213205 -0.862 0.185 -3.650 + 2299TIP3 H113206 -0.870 0.090 -3.665 + 2299TIP3 H213207 -0.899 0.195 -3.560 + 2300TIP3 OH213208 -2.378 0.413 -3.281 + 2300TIP3 H113209 -2.352 0.413 -3.375 + 2300TIP3 H213210 -2.293 0.387 -3.239 + 2301TIP3 OH213211 -0.801 0.380 -2.744 + 2301TIP3 H113212 -0.732 0.316 -2.716 + 2301TIP3 H213213 -0.754 0.464 -2.741 + 2302TIP3 OH213214 -0.645 0.195 -2.614 + 2302TIP3 H113215 -0.724 0.139 -2.632 + 2302TIP3 H213216 -0.574 0.128 -2.615 + 2303TIP3 OH213217 -0.882 -0.223 -4.324 + 2303TIP3 H113218 -0.823 -0.268 -4.262 + 2303TIP3 H213219 -0.964 -0.276 -4.320 + 2304TIP3 OH213220 -0.882 -0.062 -3.836 + 2304TIP3 H113221 -0.855 -0.156 -3.829 + 2304TIP3 H213222 -0.800 -0.023 -3.873 + 2305TIP3 OH213223 -0.851 -0.003 -3.289 + 2305TIP3 H113224 -0.753 0.006 -3.290 + 2305TIP3 H213225 -0.866 -0.001 -3.193 + 2306TIP3 OH213226 -0.836 0.066 -3.010 + 2306TIP3 H113227 -0.920 0.104 -2.978 + 2306TIP3 H213228 -0.782 0.146 -3.026 + 2307TIP3 OH213229 -2.381 -0.055 -2.642 + 2307TIP3 H113230 -2.290 -0.088 -2.630 + 2307TIP3 H213231 -2.434 -0.134 -2.624 + 2308TIP3 OH213232 -0.571 -0.523 -2.476 + 2308TIP3 H113233 -0.539 -0.588 -2.541 + 2308TIP3 H213234 -0.575 -0.441 -2.529 + 2309TIP3 OH213235 -0.829 -0.338 -3.831 + 2309TIP3 H113236 -0.816 -0.374 -3.742 + 2309TIP3 H213237 -0.905 -0.391 -3.862 + 2310TIP3 OH213238 -2.307 -0.224 -3.365 + 2310TIP3 H113239 -2.263 -0.309 -3.350 + 2310TIP3 H213240 -2.242 -0.163 -3.323 + 2311TIP3 OH213241 -2.451 0.043 -3.253 + 2311TIP3 H113242 -2.397 0.043 -3.334 + 2311TIP3 H213243 -2.419 0.121 -3.208 + 2312TIP3 OH213244 -0.641 -0.316 -2.652 + 2312TIP3 H113245 -0.727 -0.272 -2.643 + 2312TIP3 H213246 -0.656 -0.368 -2.733 + 2313TIP3 OH213247 -0.627 -0.299 -4.176 + 2313TIP3 H113248 -0.600 -0.371 -4.234 + 2313TIP3 H213249 -0.544 -0.248 -4.168 + 2314TIP3 OH213250 -2.404 -0.324 -3.854 + 2314TIP3 H113251 -2.500 -0.320 -3.870 + 2314TIP3 H213252 -2.368 -0.262 -3.920 + 2315TIP3 OH213253 -0.942 1.201 -3.641 + 2315TIP3 H113254 -0.896 1.177 -3.723 + 2315TIP3 H213255 -0.871 1.240 -3.589 + 2316TIP3 OH213256 -2.404 -0.441 -3.038 + 2316TIP3 H113257 -2.472 -0.454 -2.970 + 2316TIP3 H213258 -2.451 -0.381 -3.099 + 2317TIP3 OH213259 -2.202 0.889 -2.562 + 2317TIP3 H113260 -2.266 0.867 -2.631 + 2317TIP3 H213261 -2.249 0.862 -2.482 + 2318TIP3 OH213262 -1.918 0.975 -3.000 + 2318TIP3 H113263 -1.946 1.061 -3.034 + 2318TIP3 H213264 -1.822 0.981 -3.018 + 2319TIP3 OH213265 -1.287 1.227 -2.748 + 2319TIP3 H113266 -1.244 1.164 -2.809 + 2319TIP3 H213267 -1.210 1.259 -2.699 + 2320TIP3 OH213268 -0.753 -0.490 -2.857 + 2320TIP3 H113269 -0.835 -0.471 -2.906 + 2320TIP3 H213270 -0.732 -0.580 -2.888 + 2321TIP3 OH213271 -2.176 1.270 -2.966 + 2321TIP3 H113272 -2.236 1.332 -3.012 + 2321TIP3 H213273 -2.213 1.271 -2.878 + 2322TIP3 OH213274 -1.920 1.250 -3.102 + 2322TIP3 H113275 -2.007 1.268 -3.062 + 2322TIP3 H213276 -1.916 1.317 -3.174 + 2323TIP3 OH213277 -1.462 1.246 -3.154 + 2323TIP3 H113278 -1.497 1.289 -3.233 + 2323TIP3 H213279 -1.447 1.323 -3.096 + 2324TIP3 OH213280 -1.227 1.129 -3.047 + 2324TIP3 H113281 -1.308 1.154 -3.096 + 2324TIP3 H213282 -1.164 1.197 -3.076 + 2325TIP3 OH213283 -0.972 1.293 -3.046 + 2325TIP3 H113284 -0.972 1.387 -3.071 + 2325TIP3 H213285 -0.940 1.253 -3.128 + 2326TIP3 OH213286 -2.221 1.148 -3.271 + 2326TIP3 H113287 -2.223 1.098 -3.187 + 2326TIP3 H213288 -2.146 1.103 -3.316 + 2327TIP3 OH213289 -2.020 1.024 -3.427 + 2327TIP3 H113290 -2.036 0.931 -3.402 + 2327TIP3 H213291 -1.928 1.037 -3.397 + 2328TIP3 OH213292 -1.743 1.070 -3.340 + 2328TIP3 H113293 -1.725 0.976 -3.362 + 2328TIP3 H213294 -1.738 1.066 -3.243 + 2329TIP3 OH213295 -1.411 -0.341 -3.410 + 2329TIP3 H113296 -1.480 -0.408 -3.394 + 2329TIP3 H213297 -1.350 -0.388 -3.469 + 2330TIP3 OH213298 -0.916 -0.540 -3.363 + 2330TIP3 H113299 -0.840 -0.494 -3.403 + 2330TIP3 H213300 -0.991 -0.509 -3.417 + 2331TIP3 OH213301 -0.709 -0.429 -3.578 + 2331TIP3 H113302 -0.636 -0.470 -3.627 + 2331TIP3 H213303 -0.677 -0.337 -3.567 + 2332TIP3 OH213304 -2.174 -0.469 -3.655 + 2332TIP3 H113305 -2.261 -0.482 -3.698 + 2332TIP3 H213306 -2.133 -0.556 -3.668 + 2333TIP3 OH213307 -2.299 -0.514 -4.082 + 2333TIP3 H113308 -2.239 -0.449 -4.126 + 2333TIP3 H213309 -2.331 -0.461 -4.007 + 2334TIP3 OH213310 -1.729 -0.487 -3.666 + 2334TIP3 H113311 -1.637 -0.457 -3.678 + 2334TIP3 H213312 -1.733 -0.495 -3.570 + 2335TIP3 OH213313 -1.169 -0.483 -3.524 + 2335TIP3 H113314 -1.144 -0.499 -3.616 + 2335TIP3 H213315 -1.208 -0.569 -3.499 + 2336TIP3 OH213316 -1.063 -0.484 -3.922 + 2336TIP3 H113317 -1.143 -0.436 -3.950 + 2336TIP3 H213318 -1.097 -0.576 -3.917 + 2337TIP3 OH213319 -2.290 1.075 -3.963 + 2337TIP3 H113320 -2.359 1.072 -4.031 + 2337TIP3 H213321 -2.288 1.169 -3.943 + 2338TIP3 OH213322 -2.129 -0.343 -4.231 + 2338TIP3 H113323 -2.072 -0.401 -4.282 + 2338TIP3 H213324 -2.064 -0.292 -4.180 + 2339TIP3 OH213325 -1.617 -0.325 -3.960 + 2339TIP3 H113326 -1.578 -0.377 -3.888 + 2339TIP3 H213327 -1.595 -0.236 -3.928 + 2340TIP3 OH213328 -1.410 1.240 -4.147 + 2340TIP3 H113329 -1.313 1.249 -4.152 + 2340TIP3 H213330 -1.423 1.177 -4.221 + 2341TIP3 OH213331 -0.756 1.160 -3.880 + 2341TIP3 H113332 -0.779 1.075 -3.923 + 2341TIP3 H213333 -0.767 1.223 -3.953 + 2342TIP3 OH213334 -2.195 -0.446 -2.704 + 2342TIP3 H113335 -2.238 -0.524 -2.664 + 2342TIP3 H213336 -2.104 -0.457 -2.672 + 2343TIP3 OH213337 -1.957 -0.507 -2.526 + 2343TIP3 H113338 -1.876 -0.544 -2.566 + 2343TIP3 H213339 -1.994 -0.585 -2.483 + 2344TIP3 OH213340 -2.088 1.183 -4.233 + 2344TIP3 H113341 -2.130 1.206 -4.149 + 2344TIP3 H213342 -2.025 1.114 -4.209 + 2345TIP3 OH213343 -1.145 -0.594 -2.511 + 2345TIP3 H113344 -1.145 -0.635 -2.422 + 2345TIP3 H213345 -1.050 -0.598 -2.534 + 2346TIP3 OH213346 -0.810 1.037 -2.641 + 2346TIP3 H113347 -0.884 1.017 -2.701 + 2346TIP3 H213348 -0.827 1.131 -2.622 + 2347TIP3 OH213349 0.611 0.404 -3.627 + 2347TIP3 H113350 0.611 0.501 -3.617 + 2347TIP3 H213351 0.534 0.390 -3.684 + 2348TIP3 OH213352 0.494 0.350 -3.319 + 2348TIP3 H113353 0.495 0.293 -3.240 + 2348TIP3 H213354 0.470 0.286 -3.388 + 2349TIP3 OH213355 -0.256 0.308 -3.153 + 2349TIP3 H113356 -0.259 0.232 -3.092 + 2349TIP3 H213357 -0.186 0.361 -3.112 + 2350TIP3 OH213358 0.863 0.623 -3.488 + 2350TIP3 H113359 0.827 0.551 -3.435 + 2350TIP3 H213360 0.894 0.683 -3.419 + 2351TIP3 OH213361 -0.191 0.772 -3.305 + 2351TIP3 H113362 -0.215 0.680 -3.329 + 2351TIP3 H213363 -0.099 0.758 -3.278 + 2352TIP3 OH213364 -0.489 0.113 -3.766 + 2352TIP3 H113365 -0.533 0.199 -3.752 + 2352TIP3 H213366 -0.561 0.062 -3.804 + 2353TIP3 OH213367 -0.410 0.357 -3.579 + 2353TIP3 H113368 -0.397 0.274 -3.529 + 2353TIP3 H213369 -0.325 0.366 -3.623 + 2354TIP3 OH213370 0.573 1.161 -3.431 + 2354TIP3 H113371 0.629 1.088 -3.464 + 2354TIP3 H213372 0.541 1.125 -3.347 + 2355TIP3 OH213373 0.346 0.601 -3.265 + 2355TIP3 H113374 0.377 0.527 -3.320 + 2355TIP3 H213375 0.426 0.615 -3.211 + 2356TIP3 OH213376 1.211 -0.248 -3.200 + 2356TIP3 H113377 1.236 -0.188 -3.128 + 2356TIP3 H213378 1.273 -0.219 -3.270 + 2357TIP3 OH213379 0.676 0.034 -3.213 + 2357TIP3 H113380 0.688 -0.063 -3.205 + 2357TIP3 H213381 0.666 0.044 -3.309 + 2358TIP3 OH213382 -0.028 -0.166 -3.505 + 2358TIP3 H113383 -0.014 -0.080 -3.550 + 2358TIP3 H213384 -0.065 -0.218 -3.579 + 2359TIP3 OH213385 0.755 -0.150 -3.674 + 2359TIP3 H113386 0.813 -0.194 -3.608 + 2359TIP3 H213387 0.822 -0.107 -3.730 + 2360TIP3 OH213388 -0.358 0.108 -3.454 + 2360TIP3 H113389 -0.296 0.061 -3.396 + 2360TIP3 H213390 -0.350 0.057 -3.536 + 2361TIP3 OH213391 0.180 0.246 -3.509 + 2361TIP3 H113392 0.250 0.192 -3.469 + 2361TIP3 H213393 0.129 0.179 -3.557 + 2362TIP3 OH213394 1.284 -0.112 -2.951 + 2362TIP3 H113395 1.224 -0.040 -2.978 + 2362TIP3 H213396 1.265 -0.117 -2.857 + 2363TIP3 OH213397 -0.148 -0.289 -3.091 + 2363TIP3 H113398 -0.189 -0.235 -3.160 + 2363TIP3 H213399 -0.213 -0.276 -3.018 + 2364TIP3 OH213400 0.598 0.688 -3.747 + 2364TIP3 H113401 0.573 0.668 -3.838 + 2364TIP3 H213402 0.555 0.773 -3.732 + 2365TIP3 OH213403 0.146 0.502 -3.077 + 2365TIP3 H113404 0.071 0.560 -3.051 + 2365TIP3 H213405 0.207 0.565 -3.121 + 2366TIP3 OH213406 0.940 -0.224 -3.470 + 2366TIP3 H113407 0.900 -0.284 -3.405 + 2366TIP3 H213408 0.992 -0.165 -3.413 + 2367TIP3 OH213409 -0.188 -0.080 -3.295 + 2367TIP3 H113410 -0.123 -0.024 -3.247 + 2367TIP3 H213411 -0.130 -0.118 -3.364 + 2368TIP3 OH213412 -0.056 0.689 -3.006 + 2368TIP3 H113413 -0.061 0.783 -3.032 + 2368TIP3 H213414 -0.142 0.679 -2.960 + 2369TIP3 OH213415 -0.422 0.659 -3.919 + 2369TIP3 H113416 -0.447 0.703 -4.003 + 2369TIP3 H213417 -0.409 0.734 -3.857 + 2370TIP3 OH213418 0.922 0.805 -3.234 + 2370TIP3 H113419 0.825 0.816 -3.234 + 2370TIP3 H213420 0.949 0.889 -3.275 + 2371TIP3 OH213421 0.953 -0.307 -3.085 + 2371TIP3 H113422 0.875 -0.270 -3.132 + 2371TIP3 H213423 1.025 -0.290 -3.148 + 2372TIP3 OH213424 0.265 -0.537 -3.382 + 2372TIP3 H113425 0.243 -0.632 -3.385 + 2372TIP3 H213426 0.184 -0.499 -3.342 + 2373TIP3 OH213427 0.749 0.998 -3.584 + 2373TIP3 H113428 0.797 0.918 -3.614 + 2373TIP3 H213429 0.820 1.066 -3.592 + 2374TIP3 OH213430 0.892 0.787 -3.717 + 2374TIP3 H113431 0.850 0.739 -3.789 + 2374TIP3 H213432 0.890 0.720 -3.645 + 2375TIP3 OH213433 1.049 0.671 -2.872 + 2375TIP3 H113434 1.039 0.600 -2.938 + 2375TIP3 H213435 1.067 0.748 -2.927 + 2376TIP3 OH213436 0.478 0.352 -3.908 + 2376TIP3 H113437 0.415 0.418 -3.941 + 2376TIP3 H213438 0.555 0.365 -3.967 + 2377TIP3 OH213439 0.474 0.154 -4.196 + 2377TIP3 H113440 0.540 0.185 -4.132 + 2377TIP3 H213441 0.527 0.089 -4.248 + 2378TIP3 OH213442 1.227 0.285 -3.075 + 2378TIP3 H113443 1.154 0.349 -3.066 + 2378TIP3 H213444 1.273 0.319 -3.154 + 2379TIP3 OH213445 0.827 0.356 -3.794 + 2379TIP3 H113446 0.759 0.376 -3.726 + 2379TIP3 H213447 0.888 0.299 -3.742 + 2380TIP3 OH213448 0.812 0.208 -2.910 + 2380TIP3 H113449 0.816 0.289 -2.856 + 2380TIP3 H213450 0.745 0.236 -2.975 + 2381TIP3 OH213451 -0.012 0.434 -3.617 + 2381TIP3 H113452 -0.042 0.388 -3.698 + 2381TIP3 H213453 0.051 0.370 -3.580 + 2382TIP3 OH213454 0.126 0.777 -3.343 + 2382TIP3 H113455 0.112 0.733 -3.429 + 2382TIP3 H213456 0.203 0.728 -3.309 + 2383TIP3 OH213457 0.043 0.318 -3.270 + 2383TIP3 H113458 0.105 0.318 -3.345 + 2383TIP3 H213459 0.086 0.380 -3.207 + 2384TIP3 OH213460 0.641 0.873 -3.205 + 2384TIP3 H113461 0.642 0.933 -3.128 + 2384TIP3 H213462 0.617 0.788 -3.165 + 2385TIP3 OH213463 0.132 0.752 -2.788 + 2385TIP3 H113464 0.078 0.812 -2.733 + 2385TIP3 H213465 0.066 0.720 -2.852 + 2386TIP3 OH213466 0.732 0.308 -4.056 + 2386TIP3 H113467 0.777 0.330 -3.971 + 2386TIP3 H213468 0.794 0.346 -4.121 + 2387TIP3 OH213469 -0.179 0.394 -2.876 + 2387TIP3 H113470 -0.172 0.441 -2.791 + 2387TIP3 H213471 -0.273 0.370 -2.878 + 2388TIP3 OH213472 0.464 0.961 -3.694 + 2388TIP3 H113473 0.517 0.987 -3.618 + 2388TIP3 H213474 0.420 1.043 -3.719 + 2389TIP3 OH213475 -0.062 0.967 -2.701 + 2389TIP3 H113476 -0.073 0.967 -2.797 + 2389TIP3 H213477 -0.149 0.938 -2.668 + 2390TIP3 OH213478 1.078 -0.534 -4.075 + 2390TIP3 H113479 0.982 -0.523 -4.057 + 2390TIP3 H213480 1.102 -0.444 -4.102 + 2391TIP3 OH213481 -0.117 0.306 -3.868 + 2391TIP3 H113482 -0.145 0.383 -3.919 + 2391TIP3 H213483 -0.189 0.243 -3.885 + 2392TIP3 OH213484 1.180 0.884 -4.236 + 2392TIP3 H113485 1.209 0.976 -4.222 + 2392TIP3 H213486 1.264 0.836 -4.242 + 2393TIP3 OH213487 -0.517 0.575 -2.990 + 2393TIP3 H113488 -0.559 0.571 -3.078 + 2393TIP3 H213489 -0.500 0.481 -2.971 + 2394TIP3 OH213490 -0.509 0.870 -3.297 + 2394TIP3 H113491 -0.418 0.837 -3.293 + 2394TIP3 H213492 -0.512 0.927 -3.219 + 2395TIP3 OH213493 1.325 0.930 -2.719 + 2395TIP3 H113494 1.316 0.834 -2.735 + 2395TIP3 H213495 1.235 0.951 -2.687 + 2396TIP3 OH213496 0.393 0.857 -2.839 + 2396TIP3 H113497 0.397 0.938 -2.787 + 2396TIP3 H213498 0.303 0.823 -2.815 + 2397TIP3 OH213499 0.427 1.232 -3.846 + 2397TIP3 H113500 0.420 1.242 -3.942 + 2397TIP3 H213501 0.429 1.324 -3.815 + 2398TIP3 OH213502 -0.198 1.147 -3.680 + 2398TIP3 H113503 -0.182 1.101 -3.594 + 2398TIP3 H213504 -0.281 1.105 -3.706 + 2399TIP3 OH213505 0.734 1.206 -4.103 + 2399TIP3 H113506 0.782 1.163 -4.174 + 2399TIP3 H213507 0.743 1.143 -4.028 + 2400TIP3 OH213508 0.696 1.103 -3.850 + 2400TIP3 H113509 0.604 1.128 -3.832 + 2400TIP3 H213510 0.714 1.043 -3.776 + 2401TIP3 OH213511 1.007 0.065 -2.682 + 2401TIP3 H113512 0.952 0.105 -2.751 + 2401TIP3 H213513 1.008 -0.029 -2.709 + 2402TIP3 OH213514 -0.297 0.732 -2.863 + 2402TIP3 H113515 -0.267 0.683 -2.783 + 2402TIP3 H213516 -0.368 0.675 -2.897 + 2403TIP3 OH213517 0.024 -0.423 -3.289 + 2403TIP3 H113518 -0.060 -0.430 -3.338 + 2403TIP3 H213519 0.001 -0.352 -3.227 + 2404TIP3 OH213520 0.463 -0.466 -2.924 + 2404TIP3 H113521 0.512 -0.520 -2.859 + 2404TIP3 H213522 0.371 -0.495 -2.913 + 2405TIP3 OH213523 0.768 -0.088 -2.867 + 2405TIP3 H113524 0.717 -0.097 -2.785 + 2405TIP3 H213525 0.767 0.007 -2.884 + 2406TIP3 OH213526 0.949 0.384 -4.247 + 2406TIP3 H113527 0.916 0.359 -4.334 + 2406TIP3 H213528 0.990 0.469 -4.269 + 2407TIP3 OH213529 0.442 -0.225 -4.216 + 2407TIP3 H113530 0.390 -0.225 -4.135 + 2407TIP3 H213531 0.399 -0.296 -4.265 + 2408TIP3 OH213532 0.007 0.056 -3.148 + 2408TIP3 H113533 -0.045 0.067 -3.066 + 2408TIP3 H213534 0.014 0.149 -3.180 + 2409TIP3 OH213535 0.003 0.065 -3.661 + 2409TIP3 H113536 -0.093 0.052 -3.676 + 2409TIP3 H213537 0.038 0.043 -3.749 + 2410TIP3 OH213538 0.572 0.117 -3.786 + 2410TIP3 H113539 0.531 0.200 -3.820 + 2410TIP3 H213540 0.637 0.098 -3.855 + 2411TIP3 OH213541 0.470 0.129 -2.620 + 2411TIP3 H113542 0.424 0.050 -2.587 + 2411TIP3 H213543 0.559 0.116 -2.581 + 2412TIP3 OH213544 0.650 0.059 -3.506 + 2412TIP3 H113545 0.623 0.116 -3.580 + 2412TIP3 H213546 0.672 -0.023 -3.555 + 2413TIP3 OH213547 -0.258 0.075 -2.962 + 2413TIP3 H113548 -0.224 0.101 -2.875 + 2413TIP3 H213549 -0.289 -0.015 -2.944 + 2414TIP3 OH213550 0.120 -0.179 -4.311 + 2414TIP3 H113551 0.086 -0.213 -4.226 + 2414TIP3 H213552 0.040 -0.137 -4.348 + 2415TIP3 OH213553 -0.569 -0.178 -3.602 + 2415TIP3 H113554 -0.510 -0.184 -3.525 + 2415TIP3 H213555 -0.520 -0.222 -3.673 + 2416TIP3 OH213556 -0.415 -0.138 -4.040 + 2416TIP3 H113557 -0.359 -0.088 -4.102 + 2416TIP3 H213558 -0.482 -0.071 -4.017 + 2417TIP3 OH213559 0.561 0.227 -3.057 + 2417TIP3 H113560 0.604 0.155 -3.108 + 2417TIP3 H213561 0.523 0.177 -2.983 + 2418TIP3 OH213562 0.280 -0.177 -3.558 + 2418TIP3 H113563 0.186 -0.183 -3.533 + 2418TIP3 H213564 0.324 -0.197 -3.473 + 2419TIP3 OH213565 -0.260 -0.054 -3.693 + 2419TIP3 H113566 -0.344 -0.030 -3.734 + 2419TIP3 H213567 -0.234 -0.135 -3.740 + 2420TIP3 OH213568 0.099 -0.018 -3.926 + 2420TIP3 H113569 0.195 -0.016 -3.912 + 2420TIP3 H213570 0.083 0.053 -3.989 + 2421TIP3 OH213571 0.720 -0.264 -3.257 + 2421TIP3 H113572 0.657 -0.263 -3.181 + 2421TIP3 H213573 0.662 -0.297 -3.327 + 2422TIP3 OH213574 -0.051 0.113 -4.175 + 2422TIP3 H113575 -0.107 0.044 -4.214 + 2422TIP3 H213576 0.034 0.098 -4.215 + 2423TIP3 OH213577 -0.186 0.582 -2.644 + 2423TIP3 H113578 -0.121 0.584 -2.571 + 2423TIP3 H213579 -0.268 0.572 -2.592 + 2424TIP3 OH213580 0.382 0.077 -3.375 + 2424TIP3 H113581 0.456 0.033 -3.420 + 2424TIP3 H213582 0.365 0.017 -3.300 + 2425TIP3 OH213583 -0.087 -0.282 -3.767 + 2425TIP3 H113584 -0.142 -0.359 -3.746 + 2425TIP3 H213585 -0.002 -0.322 -3.791 + 2426TIP3 OH213586 0.280 -0.076 -3.151 + 2426TIP3 H113587 0.201 -0.020 -3.147 + 2426TIP3 H213588 0.330 -0.053 -3.071 + 2427TIP3 OH213589 0.295 0.562 -3.961 + 2427TIP3 H113590 0.218 0.509 -3.993 + 2427TIP3 H213591 0.276 0.568 -3.864 + 2428TIP3 OH213592 1.016 0.479 -3.086 + 2428TIP3 H113593 1.065 0.532 -3.153 + 2428TIP3 H213594 0.931 0.466 -3.132 + 2429TIP3 OH213595 0.710 -0.168 -4.172 + 2429TIP3 H113596 0.613 -0.162 -4.185 + 2429TIP3 H213597 0.733 -0.086 -4.124 + 2430TIP3 OH213598 0.465 0.569 -2.829 + 2430TIP3 H113599 0.431 0.525 -2.750 + 2430TIP3 H213600 0.423 0.656 -2.824 + 2431TIP3 OH213601 0.770 0.028 -3.986 + 2431TIP3 H113602 0.856 0.006 -3.946 + 2431TIP3 H213603 0.788 0.113 -4.030 + 2432TIP3 OH213604 -0.193 0.501 -3.379 + 2432TIP3 H113605 -0.135 0.489 -3.456 + 2432TIP3 H213606 -0.182 0.416 -3.332 + 2433TIP3 OH213607 0.540 0.697 -4.049 + 2433TIP3 H113608 0.507 0.786 -4.024 + 2433TIP3 H213609 0.461 0.643 -4.028 + 2434TIP3 OH213610 -0.466 0.329 -2.849 + 2434TIP3 H113611 -0.449 0.283 -2.764 + 2434TIP3 H213612 -0.527 0.268 -2.894 + 2435TIP3 OH213613 0.221 0.295 -2.639 + 2435TIP3 H113614 0.174 0.241 -2.704 + 2435TIP3 H213615 0.299 0.240 -2.620 + 2436TIP3 OH213616 0.692 0.843 -2.881 + 2436TIP3 H113617 0.596 0.830 -2.893 + 2436TIP3 H213618 0.700 0.840 -2.784 + 2437TIP3 OH213619 1.241 0.034 -3.998 + 2437TIP3 H113620 1.180 0.014 -4.071 + 2437TIP3 H213621 1.254 0.129 -4.017 + 2438TIP3 OH213622 1.284 0.636 -2.724 + 2438TIP3 H113623 1.189 0.653 -2.742 + 2438TIP3 H213624 1.316 0.612 -2.814 + 2439TIP3 OH213625 1.062 0.890 -3.988 + 2439TIP3 H113626 1.040 0.808 -3.943 + 2439TIP3 H213627 1.096 0.859 -4.074 + 2440TIP3 OH213628 0.781 0.423 -3.258 + 2440TIP3 H113629 0.688 0.404 -3.280 + 2440TIP3 H213630 0.826 0.349 -3.305 + 2441TIP3 OH213631 0.045 0.829 -3.656 + 2441TIP3 H113632 0.087 0.916 -3.665 + 2441TIP3 H213633 -0.047 0.849 -3.674 + 2442TIP3 OH213634 -0.348 0.323 -4.203 + 2442TIP3 H113635 -0.294 0.385 -4.150 + 2442TIP3 H213636 -0.438 0.340 -4.168 + 2443TIP3 OH213637 0.227 0.599 -3.694 + 2443TIP3 H113638 0.197 0.690 -3.675 + 2443TIP3 H213639 0.160 0.547 -3.647 + 2444TIP3 OH213640 0.245 1.026 -3.053 + 2444TIP3 H113641 0.303 1.097 -3.085 + 2444TIP3 H213642 0.306 0.973 -3.000 + 2445TIP3 OH213643 0.089 1.118 -3.731 + 2445TIP3 H113644 -0.007 1.133 -3.725 + 2445TIP3 H213645 0.123 1.207 -3.708 + 2446TIP3 OH213646 0.588 0.603 -3.096 + 2446TIP3 H113647 0.555 0.570 -3.010 + 2446TIP3 H213648 0.659 0.540 -3.116 + 2447TIP3 OH213649 0.784 0.720 -4.210 + 2447TIP3 H113650 0.852 0.698 -4.144 + 2447TIP3 H213651 0.706 0.714 -4.153 + 2448TIP3 OH213652 0.862 1.099 -2.823 + 2448TIP3 H113653 0.796 1.034 -2.857 + 2448TIP3 H213654 0.880 1.148 -2.906 + 2449TIP3 OH213655 1.294 1.174 -4.158 + 2449TIP3 H113656 1.363 1.243 -4.150 + 2449TIP3 H213657 1.215 1.227 -4.136 + 2450TIP3 OH213658 -0.334 -0.207 -2.896 + 2450TIP3 H113659 -0.426 -0.180 -2.914 + 2450TIP3 H213660 -0.347 -0.289 -2.845 + 2451TIP3 OH213661 0.900 0.592 -3.966 + 2451TIP3 H113662 0.873 0.519 -3.907 + 2451TIP3 H213663 0.997 0.586 -3.961 + 2452TIP3 OH213664 -0.359 0.969 -3.050 + 2452TIP3 H113665 -0.330 0.877 -3.034 + 2452TIP3 H213666 -0.336 1.008 -2.965 + 2453TIP3 OH213667 0.239 0.828 -4.338 + 2453TIP3 H113668 0.305 0.757 -4.350 + 2453TIP3 H213669 0.204 0.808 -4.249 + 2454TIP3 OH213670 0.109 0.784 -4.083 + 2454TIP3 H113671 0.156 0.733 -4.015 + 2454TIP3 H213672 0.125 0.876 -4.052 + 2455TIP3 OH213673 -0.208 0.527 -4.041 + 2455TIP3 H113674 -0.285 0.562 -3.990 + 2455TIP3 H213675 -0.161 0.609 -4.059 + 2456TIP3 OH213676 0.564 -0.225 -3.039 + 2456TIP3 H113677 0.623 -0.194 -2.968 + 2456TIP3 H213678 0.514 -0.298 -2.996 + 2457TIP3 OH213679 0.617 -0.266 -3.920 + 2457TIP3 H113680 0.653 -0.224 -4.001 + 2457TIP3 H213681 0.674 -0.228 -3.851 + 2458TIP3 OH213682 0.399 0.944 -4.031 + 2458TIP3 H113683 0.322 0.996 -4.003 + 2458TIP3 H213684 0.454 1.012 -4.072 + 2459TIP3 OH213685 0.361 -0.073 -3.815 + 2459TIP3 H113686 0.443 -0.022 -3.802 + 2459TIP3 H213687 0.337 -0.095 -3.723 + 2460TIP3 OH213688 0.414 0.018 -2.901 + 2460TIP3 H113689 0.402 0.066 -2.817 + 2460TIP3 H213690 0.456 -0.063 -2.869 + 2461TIP3 OH213691 0.428 -0.375 -3.725 + 2461TIP3 H113692 0.410 -0.309 -3.656 + 2461TIP3 H213693 0.501 -0.332 -3.775 + 2462TIP3 OH213694 0.129 1.061 -4.024 + 2462TIP3 H113695 0.120 1.145 -4.075 + 2462TIP3 H213696 0.108 1.091 -3.934 + 2463TIP3 OH213697 0.000 -0.268 -4.081 + 2463TIP3 H113698 -0.007 -0.201 -4.012 + 2463TIP3 H213699 0.074 -0.323 -4.047 + 2464TIP3 OH213700 1.027 -0.186 -2.811 + 2464TIP3 H113701 0.931 -0.176 -2.826 + 2464TIP3 H213702 1.053 -0.210 -2.901 + 2465TIP3 OH213703 0.882 0.197 -3.408 + 2465TIP3 H113704 0.800 0.151 -3.435 + 2465TIP3 H213705 0.930 0.126 -3.361 + 2466TIP3 OH213706 -0.172 0.822 -4.159 + 2466TIP3 H113707 -0.094 0.862 -4.117 + 2466TIP3 H213708 -0.131 0.772 -4.231 + 2467TIP3 OH213709 -0.339 0.039 -4.259 + 2467TIP3 H113710 -0.328 0.133 -4.238 + 2467TIP3 H213711 -0.431 0.035 -4.288 + 2468TIP3 OH213712 0.982 1.083 -3.271 + 2468TIP3 H113713 0.967 1.166 -3.322 + 2468TIP3 H213714 1.075 1.095 -3.246 + 2469TIP3 OH213715 -0.255 -0.467 -3.371 + 2469TIP3 H113716 -0.274 -0.470 -3.467 + 2469TIP3 H213717 -0.289 -0.553 -3.339 + 2470TIP3 OH213718 -0.366 0.887 -3.745 + 2470TIP3 H113719 -0.447 0.936 -3.726 + 2470TIP3 H213720 -0.331 0.936 -3.820 + 2471TIP3 OH213721 -0.427 1.173 -2.627 + 2471TIP3 H113722 -0.367 1.143 -2.556 + 2471TIP3 H213723 -0.463 1.088 -2.657 + 2472TIP3 OH213724 0.042 1.079 -2.448 + 2472TIP3 H113725 0.111 1.013 -2.427 + 2472TIP3 H213726 0.020 1.053 -2.539 + 2473TIP3 OH213727 0.470 1.013 -4.331 + 2473TIP3 H113728 0.387 0.962 -4.325 + 2473TIP3 H213729 0.531 0.944 -4.363 + 2474TIP3 OH213730 0.690 0.908 -2.586 + 2474TIP3 H113731 0.648 0.826 -2.554 + 2474TIP3 H213732 0.762 0.919 -2.521 + 2475TIP3 OH213733 0.681 0.820 4.216 + 2475TIP3 H113734 0.700 0.760 4.290 + 2475TIP3 H213735 0.770 0.825 4.178 + 2476TIP3 OH213736 -0.433 0.547 -2.522 + 2476TIP3 H113737 -0.424 0.452 -2.538 + 2476TIP3 H213738 -0.505 0.571 -2.583 + 2477TIP3 OH213739 0.009 0.512 -4.353 + 2477TIP3 H113740 0.009 0.505 -4.256 + 2477TIP3 H213741 0.068 0.587 -4.368 + 2478TIP3 OH213742 0.235 0.560 -2.584 + 2478TIP3 H113743 0.200 0.582 -2.672 + 2478TIP3 H213744 0.242 0.462 -2.590 + 2479TIP3 OH213745 0.494 0.683 -4.313 + 2479TIP3 H113746 0.522 0.701 -4.221 + 2479TIP3 H213747 0.570 0.633 -4.346 + 2480TIP3 OH213748 0.770 0.514 -2.844 + 2480TIP3 H113749 0.846 0.571 -2.863 + 2480TIP3 H213750 0.697 0.577 -2.844 + 2481TIP3 OH213751 -0.339 0.250 -2.598 + 2481TIP3 H113752 -0.271 0.180 -2.596 + 2481TIP3 H213753 -0.347 0.271 -2.504 + 2482TIP3 OH213754 0.099 0.391 -4.084 + 2482TIP3 H113755 0.037 0.341 -4.028 + 2482TIP3 H213756 0.122 0.324 -4.151 + 2483TIP3 OH213757 0.024 0.164 -2.854 + 2483TIP3 H113758 -0.028 0.242 -2.830 + 2483TIP3 H213759 0.095 0.202 -2.909 + 2484TIP3 OH213760 0.205 0.215 -4.318 + 2484TIP3 H113761 0.240 0.163 -4.393 + 2484TIP3 H213762 0.284 0.205 -4.260 + 2485TIP3 OH213763 0.553 0.431 -2.501 + 2485TIP3 H113764 0.642 0.408 -2.530 + 2485TIP3 H213765 0.525 0.348 -2.461 + 2486TIP3 OH213766 0.104 -0.099 -2.723 + 2486TIP3 H113767 0.102 -0.168 -2.791 + 2486TIP3 H213768 0.080 -0.019 -2.772 + 2487TIP3 OH213769 0.112 -0.262 -2.993 + 2487TIP3 H113770 0.162 -0.206 -3.055 + 2487TIP3 H213771 0.020 -0.257 -3.027 + 2488TIP3 OH213772 0.266 0.282 -2.958 + 2488TIP3 H113773 0.353 0.275 -3.001 + 2488TIP3 H213774 0.238 0.372 -2.984 + 2489TIP3 OH213775 0.720 0.073 -2.484 + 2489TIP3 H113776 0.743 -0.018 -2.465 + 2489TIP3 H213777 0.805 0.118 -2.471 + 2490TIP3 OH213778 0.824 0.355 -2.627 + 2490TIP3 H113779 0.789 0.414 -2.697 + 2490TIP3 H213780 0.913 0.337 -2.663 + 2491TIP3 OH213781 -0.086 0.079 -2.559 + 2491TIP3 H113782 -0.137 0.002 -2.529 + 2491TIP3 H213783 -0.000 0.037 -2.577 + 2492TIP3 OH213784 0.190 -0.525 -2.964 + 2492TIP3 H113785 0.168 -0.430 -2.975 + 2492TIP3 H213786 0.116 -0.567 -3.013 + 2493TIP3 OH213787 0.536 -0.167 -2.674 + 2493TIP3 H113788 0.449 -0.199 -2.646 + 2493TIP3 H213789 0.595 -0.227 -2.625 + 2494TIP3 OH213790 0.750 -0.308 -2.521 + 2494TIP3 H113791 0.735 -0.404 -2.509 + 2494TIP3 H213792 0.734 -0.271 -2.432 + 2495TIP3 OH213793 -0.248 -0.184 -2.573 + 2495TIP3 H113794 -0.242 -0.260 -2.634 + 2495TIP3 H213795 -0.256 -0.228 -2.487 + 2496TIP3 OH213796 0.174 -0.590 -2.673 + 2496TIP3 H113797 0.240 -0.662 -2.668 + 2496TIP3 H213798 0.178 -0.567 -2.768 + 2497TIP3 OH213799 0.274 -0.367 -2.533 + 2497TIP3 H113800 0.238 -0.451 -2.565 + 2497TIP3 H213801 0.196 -0.320 -2.505 + 2498TIP3 OH213802 0.180 1.314 -4.172 + 2498TIP3 H113803 0.276 1.325 -4.164 + 2498TIP3 H213804 0.156 1.373 -4.245 + 2499TIP3 OH213805 -0.439 0.716 -4.197 + 2499TIP3 H113806 -0.350 0.755 -4.197 + 2499TIP3 H213807 -0.442 0.665 -4.279 + 2500TIP3 OH213808 -0.539 1.273 -3.717 + 2500TIP3 H113809 -0.607 1.234 -3.776 + 2500TIP3 H213810 -0.529 1.202 -3.650 + 2501TIP3 OH213811 -0.500 1.073 -3.520 + 2501TIP3 H113812 -0.527 0.985 -3.489 + 2501TIP3 H213813 -0.463 1.107 -3.436 + 2502TIP3 OH213814 1.255 1.205 -3.219 + 2502TIP3 H113815 1.275 1.196 -3.125 + 2502TIP3 H213816 1.342 1.226 -3.256 + 2503TIP3 OH213817 1.243 1.148 -2.927 + 2503TIP3 H113818 1.192 1.075 -2.966 + 2503TIP3 H213819 1.303 1.097 -2.869 + 2504TIP3 OH213820 1.048 0.684 -2.505 + 2504TIP3 H113821 0.962 0.680 -2.461 + 2504TIP3 H213822 1.092 0.760 -2.463 + 2505TIP3 OH213823 1.183 0.571 -3.929 + 2505TIP3 H113824 1.273 0.606 -3.919 + 2505TIP3 H213825 1.181 0.506 -3.856 + 2506TIP3 OH213826 1.230 0.372 -3.731 + 2506TIP3 H113827 1.164 0.315 -3.687 + 2506TIP3 H213828 1.299 0.383 -3.663 + 2507TIP3 OH213829 1.204 0.623 -3.234 + 2507TIP3 H113830 1.265 0.571 -3.289 + 2507TIP3 H213831 1.220 0.714 -3.267 + 2508TIP3 OH213832 1.064 0.927 -3.005 + 2508TIP3 H113833 0.986 0.942 -2.952 + 2508TIP3 H213834 1.026 0.886 -3.085 + 2509TIP3 OH213835 1.258 0.336 -4.106 + 2509TIP3 H113836 1.199 0.367 -4.177 + 2509TIP3 H213837 1.241 0.405 -4.039 + 2510TIP3 OH213838 1.082 0.078 -4.213 + 2510TIP3 H113839 1.113 0.148 -4.272 + 2510TIP3 H213840 1.113 -0.001 -4.258 + 2511TIP3 OH213841 1.023 0.185 -3.650 + 2511TIP3 H113842 1.016 0.090 -3.667 + 2511TIP3 H213843 0.986 0.194 -3.560 + 2512TIP3 OH213844 -0.491 0.409 -3.280 + 2512TIP3 H113845 -0.464 0.412 -3.373 + 2512TIP3 H213846 -0.405 0.386 -3.238 + 2513TIP3 OH213847 1.085 0.380 -2.742 + 2513TIP3 H113848 1.155 0.317 -2.716 + 2513TIP3 H213849 1.132 0.465 -2.741 + 2514TIP3 OH213850 1.238 0.192 -2.616 + 2514TIP3 H113851 1.161 0.136 -2.639 + 2514TIP3 H213852 1.310 0.126 -2.616 + 2515TIP3 OH213853 1.003 -0.220 -4.320 + 2515TIP3 H113854 1.064 -0.269 -4.265 + 2515TIP3 H213855 0.923 -0.276 -4.321 + 2516TIP3 OH213856 1.004 -0.061 -3.836 + 2516TIP3 H113857 1.031 -0.156 -3.829 + 2516TIP3 H213858 1.085 -0.023 -3.873 + 2517TIP3 OH213859 1.035 -0.003 -3.289 + 2517TIP3 H113860 1.132 0.007 -3.291 + 2517TIP3 H213861 1.020 -0.001 -3.193 + 2518TIP3 OH213862 1.049 0.066 -3.008 + 2518TIP3 H113863 0.965 0.105 -2.980 + 2518TIP3 H213864 1.103 0.145 -3.026 + 2519TIP3 OH213865 -0.497 -0.057 -2.643 + 2519TIP3 H113866 -0.404 -0.083 -2.629 + 2519TIP3 H213867 -0.542 -0.142 -2.628 + 2520TIP3 OH213868 1.302 -0.514 -2.468 + 2520TIP3 H113869 1.349 -0.579 -2.523 + 2520TIP3 H213870 1.316 -0.431 -2.518 + 2521TIP3 OH213871 1.056 -0.337 -3.830 + 2521TIP3 H113872 1.069 -0.374 -3.741 + 2521TIP3 H213873 0.981 -0.391 -3.863 + 2522TIP3 OH213874 -0.422 -0.224 -3.362 + 2522TIP3 H113875 -0.377 -0.309 -3.350 + 2522TIP3 H213876 -0.355 -0.164 -3.324 + 2523TIP3 OH213877 -0.569 0.044 -3.257 + 2523TIP3 H113878 -0.509 0.040 -3.333 + 2523TIP3 H213879 -0.532 0.118 -3.208 + 2524TIP3 OH213880 1.248 -0.313 -2.658 + 2524TIP3 H113881 1.160 -0.273 -2.649 + 2524TIP3 H213882 1.233 -0.371 -2.735 + 2525TIP3 OH213883 1.260 -0.300 -4.175 + 2525TIP3 H113884 1.286 -0.370 -4.236 + 2525TIP3 H213885 1.341 -0.247 -4.170 + 2526TIP3 OH213886 -0.519 -0.323 -3.853 + 2526TIP3 H113887 -0.614 -0.320 -3.871 + 2526TIP3 H213888 -0.482 -0.262 -3.920 + 2527TIP3 OH213889 0.943 1.202 -3.642 + 2527TIP3 H113890 0.991 1.174 -3.721 + 2527TIP3 H213891 1.014 1.240 -3.588 + 2528TIP3 OH213892 -0.515 -0.437 -3.038 + 2528TIP3 H113893 -0.583 -0.460 -2.973 + 2528TIP3 H213894 -0.567 -0.383 -3.100 + 2529TIP3 OH213895 -0.316 0.885 -2.566 + 2529TIP3 H113896 -0.385 0.869 -2.631 + 2529TIP3 H213897 -0.360 0.866 -2.483 + 2530TIP3 OH213898 -0.032 0.973 -3.001 + 2530TIP3 H113899 -0.061 1.059 -3.034 + 2530TIP3 H213900 0.064 0.981 -3.017 + 2531TIP3 OH213901 0.455 1.142 -2.702 + 2531TIP3 H113902 0.443 1.101 -2.615 + 2531TIP3 H213903 0.547 1.119 -2.722 + 2532TIP3 OH213904 1.131 -0.491 -2.856 + 2532TIP3 H113905 1.050 -0.473 -2.907 + 2532TIP3 H213906 1.154 -0.581 -2.888 + 2533TIP3 OH213907 -0.293 1.269 -2.967 + 2533TIP3 H113908 -0.352 1.332 -3.010 + 2533TIP3 H213909 -0.327 1.271 -2.876 + 2534TIP3 OH213910 -0.042 1.248 -3.108 + 2534TIP3 H113911 -0.127 1.265 -3.064 + 2534TIP3 H213912 -0.040 1.316 -3.177 + 2535TIP3 OH213913 0.427 1.242 -3.159 + 2535TIP3 H113914 0.389 1.291 -3.235 + 2535TIP3 H213915 0.436 1.312 -3.093 + 2536TIP3 OH213916 0.656 1.127 -3.047 + 2536TIP3 H113917 0.574 1.156 -3.092 + 2536TIP3 H213918 0.716 1.200 -3.068 + 2537TIP3 OH213919 0.915 1.290 -3.046 + 2537TIP3 H113920 0.915 1.385 -3.069 + 2537TIP3 H213921 0.945 1.252 -3.131 + 2538TIP3 OH213922 -0.336 1.148 -3.272 + 2538TIP3 H113923 -0.337 1.099 -3.186 + 2538TIP3 H213924 -0.261 1.104 -3.316 + 2539TIP3 OH213925 -0.134 1.024 -3.427 + 2539TIP3 H113926 -0.150 0.930 -3.401 + 2539TIP3 H213927 -0.043 1.038 -3.397 + 2540TIP3 OH213928 0.142 1.070 -3.340 + 2540TIP3 H113929 0.160 0.977 -3.361 + 2540TIP3 H213930 0.148 1.067 -3.243 + 2541TIP3 OH213931 0.474 -0.340 -3.412 + 2541TIP3 H113932 0.405 -0.408 -3.395 + 2541TIP3 H213933 0.536 -0.389 -3.469 + 2542TIP3 OH213934 0.969 -0.539 -3.362 + 2542TIP3 H113935 1.046 -0.495 -3.404 + 2542TIP3 H213936 0.895 -0.509 -3.417 + 2543TIP3 OH213937 1.177 -0.429 -3.576 + 2543TIP3 H113938 1.249 -0.470 -3.627 + 2543TIP3 H213939 1.209 -0.337 -3.567 + 2544TIP3 OH213940 -0.289 -0.469 -3.655 + 2544TIP3 H113941 -0.376 -0.483 -3.697 + 2544TIP3 H213942 -0.247 -0.556 -3.667 + 2545TIP3 OH213943 -0.414 -0.513 -4.082 + 2545TIP3 H113944 -0.354 -0.450 -4.126 + 2545TIP3 H213945 -0.445 -0.461 -4.006 + 2546TIP3 OH213946 0.155 -0.485 -3.665 + 2546TIP3 H113947 0.247 -0.457 -3.680 + 2546TIP3 H213948 0.154 -0.495 -3.569 + 2547TIP3 OH213949 0.716 -0.483 -3.524 + 2547TIP3 H113950 0.742 -0.498 -3.616 + 2547TIP3 H213951 0.678 -0.569 -3.499 + 2548TIP3 OH213952 0.821 -0.484 -3.920 + 2548TIP3 H113953 0.743 -0.439 -3.954 + 2548TIP3 H213954 0.789 -0.576 -3.916 + 2549TIP3 OH213955 -0.405 1.071 -3.957 + 2549TIP3 H113956 -0.477 1.074 -4.023 + 2549TIP3 H213957 -0.389 1.166 -3.945 + 2550TIP3 OH213958 -0.243 -0.342 -4.230 + 2550TIP3 H113959 -0.188 -0.402 -4.282 + 2550TIP3 H213960 -0.176 -0.294 -4.179 + 2551TIP3 OH213961 0.267 -0.324 -3.959 + 2551TIP3 H113962 0.308 -0.378 -3.890 + 2551TIP3 H213963 0.293 -0.236 -3.927 + 2552TIP3 OH213964 0.463 1.241 -4.146 + 2552TIP3 H113965 0.560 1.254 -4.138 + 2552TIP3 H213966 0.461 1.181 -4.222 + 2553TIP3 OH213967 1.138 1.155 -3.880 + 2553TIP3 H113968 1.111 1.071 -3.923 + 2553TIP3 H213969 1.112 1.221 -3.948 + 2554TIP3 OH213970 -0.319 -0.448 -2.712 + 2554TIP3 H113971 -0.359 -0.525 -2.670 + 2554TIP3 H213972 -0.226 -0.459 -2.682 + 2555TIP3 OH213973 -0.084 -0.517 -2.560 + 2555TIP3 H113974 0.004 -0.545 -2.591 + 2555TIP3 H213975 -0.093 -0.569 -2.479 + 2556TIP3 OH213976 -0.166 1.193 -4.192 + 2556TIP3 H113977 -0.257 1.211 -4.164 + 2556TIP3 H213978 -0.167 1.106 -4.232 + 2557TIP3 OH213979 0.741 -0.592 -2.507 + 2557TIP3 H113980 0.738 -0.629 -2.418 + 2557TIP3 H213981 0.836 -0.598 -2.529 + 2558TIP3 OH213982 1.078 1.051 -2.640 + 2558TIP3 H113983 1.002 1.036 -2.699 + 2558TIP3 H213984 1.094 1.146 -2.648 + 2559TIP3 OH213985 2.497 0.405 -3.628 + 2559TIP3 H113986 2.495 0.501 -3.617 + 2559TIP3 H213987 2.421 0.390 -3.685 + 2560TIP3 OH213988 2.382 0.349 -3.319 + 2560TIP3 H113989 2.381 0.292 -3.241 + 2560TIP3 H213990 2.355 0.287 -3.389 + 2561TIP3 OH213991 1.628 0.308 -3.153 + 2561TIP3 H113992 1.627 0.232 -3.091 + 2561TIP3 H213993 1.700 0.361 -3.115 + 2562TIP3 OH213994 2.751 0.624 -3.488 + 2562TIP3 H113995 2.713 0.552 -3.437 + 2562TIP3 H213996 2.778 0.684 -3.418 + 2563TIP3 OH213997 1.694 0.771 -3.302 + 2563TIP3 H113998 1.671 0.680 -3.328 + 2563TIP3 H213999 1.788 0.759 -3.281 + 2564TIP3 OH214000 1.394 0.112 -3.761 + 2564TIP3 H114001 1.353 0.199 -3.754 + 2564TIP3 H214002 1.326 0.062 -3.808 + 2565TIP3 OH214003 1.476 0.358 -3.577 + 2565TIP3 H114004 1.490 0.273 -3.530 + 2565TIP3 H214005 1.558 0.366 -3.627 + 2566TIP3 OH214006 2.458 1.161 -3.430 + 2566TIP3 H114007 2.514 1.088 -3.464 + 2566TIP3 H214008 2.428 1.124 -3.346 + 2567TIP3 OH214009 2.230 0.600 -3.263 + 2567TIP3 H114010 2.262 0.528 -3.321 + 2567TIP3 H214011 2.312 0.614 -3.211 + 2568TIP3 OH214012 3.097 -0.246 -3.202 + 2568TIP3 H114013 3.124 -0.187 -3.130 + 2568TIP3 H214014 3.162 -0.221 -3.271 + 2569TIP3 OH214015 2.560 0.034 -3.213 + 2569TIP3 H114016 2.574 -0.062 -3.206 + 2569TIP3 H214017 2.551 0.045 -3.309 + 2570TIP3 OH214018 1.857 -0.166 -3.505 + 2570TIP3 H114019 1.872 -0.081 -3.550 + 2570TIP3 H214020 1.822 -0.218 -3.579 + 2571TIP3 OH214021 2.641 -0.150 -3.674 + 2571TIP3 H114022 2.699 -0.193 -3.607 + 2571TIP3 H214023 2.707 -0.107 -3.730 + 2572TIP3 OH214024 1.527 0.108 -3.454 + 2572TIP3 H114025 1.589 0.060 -3.397 + 2572TIP3 H214026 1.535 0.059 -3.537 + 2573TIP3 OH214027 2.065 0.246 -3.508 + 2573TIP3 H114028 2.135 0.191 -3.469 + 2573TIP3 H214029 2.015 0.179 -3.559 + 2574TIP3 OH214030 3.171 -0.109 -2.951 + 2574TIP3 H114031 3.109 -0.040 -2.979 + 2574TIP3 H214032 3.149 -0.116 -2.857 + 2575TIP3 OH214033 1.738 -0.287 -3.090 + 2575TIP3 H114034 1.697 -0.236 -3.161 + 2575TIP3 H214035 1.673 -0.275 -3.018 + 2576TIP3 OH214036 2.488 0.691 -3.750 + 2576TIP3 H114037 2.456 0.666 -3.838 + 2576TIP3 H214038 2.440 0.774 -3.733 + 2577TIP3 OH214039 2.032 0.502 -3.076 + 2577TIP3 H114040 1.958 0.561 -3.052 + 2577TIP3 H214041 2.093 0.563 -3.121 + 2578TIP3 OH214042 2.825 -0.224 -3.470 + 2578TIP3 H114043 2.786 -0.285 -3.406 + 2578TIP3 H214044 2.878 -0.166 -3.413 + 2579TIP3 OH214045 1.698 -0.081 -3.295 + 2579TIP3 H114046 1.763 -0.025 -3.249 + 2579TIP3 H214047 1.755 -0.119 -3.366 + 2580TIP3 OH214048 1.830 0.689 -3.003 + 2580TIP3 H114049 1.825 0.781 -3.034 + 2580TIP3 H214050 1.743 0.681 -2.960 + 2581TIP3 OH214051 1.457 0.659 -3.918 + 2581TIP3 H114052 1.442 0.700 -4.006 + 2581TIP3 H214053 1.475 0.735 -3.859 + 2582TIP3 OH214054 2.806 0.804 -3.237 + 2582TIP3 H114055 2.709 0.815 -3.236 + 2582TIP3 H214056 2.833 0.890 -3.275 + 2583TIP3 OH214057 2.840 -0.306 -3.085 + 2583TIP3 H114058 2.762 -0.270 -3.131 + 2583TIP3 H214059 2.911 -0.290 -3.149 + 2584TIP3 OH214060 2.152 -0.537 -3.381 + 2584TIP3 H114061 2.129 -0.632 -3.385 + 2584TIP3 H214062 2.070 -0.499 -3.342 + 2585TIP3 OH214063 2.635 0.998 -3.580 + 2585TIP3 H114064 2.682 0.918 -3.612 + 2585TIP3 H214065 2.703 1.067 -3.594 + 2586TIP3 OH214066 2.781 0.785 -3.720 + 2586TIP3 H114067 2.730 0.739 -3.788 + 2586TIP3 H214068 2.776 0.722 -3.646 + 2587TIP3 OH214069 2.936 0.667 -2.871 + 2587TIP3 H114070 2.924 0.601 -2.942 + 2587TIP3 H214071 2.948 0.749 -2.922 + 2588TIP3 OH214072 2.365 0.356 -3.904 + 2588TIP3 H114073 2.297 0.415 -3.941 + 2588TIP3 H214074 2.436 0.363 -3.970 + 2589TIP3 OH214075 2.383 0.178 -4.206 + 2589TIP3 H114076 2.452 0.210 -4.145 + 2589TIP3 H214077 2.436 0.118 -4.262 + 2590TIP3 OH214078 3.112 0.285 -3.076 + 2590TIP3 H114079 3.039 0.349 -3.068 + 2590TIP3 H214080 3.158 0.318 -3.155 + 2591TIP3 OH214081 2.714 0.358 -3.794 + 2591TIP3 H114082 2.644 0.377 -3.727 + 2591TIP3 H214083 2.772 0.299 -3.742 + 2592TIP3 OH214084 2.697 0.211 -2.910 + 2592TIP3 H114085 2.701 0.293 -2.858 + 2592TIP3 H214086 2.631 0.238 -2.976 + 2593TIP3 OH214087 1.872 0.434 -3.616 + 2593TIP3 H114088 1.841 0.391 -3.698 + 2593TIP3 H214089 1.937 0.369 -3.583 + 2594TIP3 OH214090 2.009 0.775 -3.342 + 2594TIP3 H114091 1.997 0.736 -3.429 + 2594TIP3 H214092 2.088 0.728 -3.310 + 2595TIP3 OH214093 1.930 0.315 -3.267 + 2595TIP3 H114094 1.987 0.317 -3.346 + 2595TIP3 H214095 1.972 0.381 -3.208 + 2596TIP3 OH214096 2.525 0.867 -3.209 + 2596TIP3 H114097 2.528 0.932 -3.137 + 2596TIP3 H214098 2.503 0.784 -3.163 + 2597TIP3 OH214099 2.015 0.748 -2.783 + 2597TIP3 H114100 1.962 0.814 -2.736 + 2597TIP3 H214101 1.952 0.719 -2.852 + 2598TIP3 OH214102 2.621 0.303 -4.057 + 2598TIP3 H114103 2.663 0.328 -3.972 + 2598TIP3 H214104 2.680 0.346 -4.121 + 2599TIP3 OH214105 1.708 0.390 -2.874 + 2599TIP3 H114106 1.712 0.443 -2.792 + 2599TIP3 H214107 1.613 0.370 -2.878 + 2600TIP3 OH214108 2.353 0.961 -3.694 + 2600TIP3 H114109 2.404 0.989 -3.617 + 2600TIP3 H214110 2.306 1.042 -3.721 + 2601TIP3 OH214111 1.825 0.967 -2.701 + 2601TIP3 H114112 1.814 0.969 -2.798 + 2601TIP3 H214113 1.737 0.938 -2.670 + 2602TIP3 OH214114 2.964 -0.533 -4.075 + 2602TIP3 H114115 2.868 -0.523 -4.056 + 2602TIP3 H214116 2.987 -0.443 -4.102 + 2603TIP3 OH214117 1.763 0.309 -3.860 + 2603TIP3 H114118 1.742 0.384 -3.920 + 2603TIP3 H214119 1.699 0.243 -3.889 + 2604TIP3 OH214120 3.072 0.903 -4.253 + 2604TIP3 H114121 3.098 0.982 -4.204 + 2604TIP3 H214122 3.142 0.838 -4.235 + 2605TIP3 OH214123 1.369 0.575 -2.990 + 2605TIP3 H114124 1.326 0.573 -3.077 + 2605TIP3 H214125 1.385 0.480 -2.973 + 2606TIP3 OH214126 1.376 0.870 -3.296 + 2606TIP3 H114127 1.467 0.837 -3.294 + 2606TIP3 H214128 1.375 0.928 -3.219 + 2607TIP3 OH214129 3.214 0.929 -2.721 + 2607TIP3 H114130 3.203 0.834 -2.737 + 2607TIP3 H214131 3.123 0.952 -2.691 + 2608TIP3 OH214132 2.279 0.852 -2.839 + 2608TIP3 H114133 2.286 0.934 -2.787 + 2608TIP3 H214134 2.188 0.822 -2.817 + 2609TIP3 OH214135 2.308 1.232 -3.846 + 2609TIP3 H114136 2.309 1.239 -3.943 + 2609TIP3 H214137 2.316 1.325 -3.817 + 2610TIP3 OH214138 1.686 1.148 -3.679 + 2610TIP3 H114139 1.705 1.102 -3.595 + 2610TIP3 H214140 1.605 1.102 -3.707 + 2611TIP3 OH214141 2.641 1.191 -4.143 + 2611TIP3 H114142 2.683 1.132 -4.210 + 2611TIP3 H214143 2.639 1.133 -4.066 + 2612TIP3 OH214144 2.583 1.124 -3.857 + 2612TIP3 H114145 2.487 1.135 -3.843 + 2612TIP3 H214146 2.602 1.050 -3.798 + 2613TIP3 OH214147 2.894 0.066 -2.679 + 2613TIP3 H114148 2.841 0.104 -2.751 + 2613TIP3 H214149 2.898 -0.028 -2.705 + 2614TIP3 OH214150 1.587 0.733 -2.863 + 2614TIP3 H114151 1.617 0.683 -2.784 + 2614TIP3 H214152 1.516 0.676 -2.898 + 2615TIP3 OH214153 1.910 -0.423 -3.289 + 2615TIP3 H114154 1.827 -0.429 -3.340 + 2615TIP3 H214155 1.887 -0.350 -3.229 + 2616TIP3 OH214156 2.349 -0.468 -2.924 + 2616TIP3 H114157 2.400 -0.520 -2.859 + 2616TIP3 H214158 2.258 -0.500 -2.910 + 2617TIP3 OH214159 2.662 -0.085 -2.872 + 2617TIP3 H114160 2.602 -0.102 -2.798 + 2617TIP3 H214161 2.654 0.011 -2.887 + 2618TIP3 OH214162 2.848 0.384 -4.251 + 2618TIP3 H114163 2.794 0.366 -4.330 + 2618TIP3 H214164 2.874 0.475 -4.270 + 2619TIP3 OH214165 2.329 -0.226 -4.216 + 2619TIP3 H114166 2.273 -0.222 -4.137 + 2619TIP3 H214167 2.285 -0.294 -4.267 + 2620TIP3 OH214168 1.895 0.056 -3.149 + 2620TIP3 H114169 1.838 0.067 -3.071 + 2620TIP3 H214170 1.902 0.147 -3.183 + 2621TIP3 OH214171 1.890 0.064 -3.660 + 2621TIP3 H114172 1.794 0.054 -3.677 + 2621TIP3 H214173 1.925 0.044 -3.750 + 2622TIP3 OH214174 2.458 0.119 -3.785 + 2622TIP3 H114175 2.417 0.201 -3.819 + 2622TIP3 H214176 2.521 0.098 -3.856 + 2623TIP3 OH214177 2.369 0.141 -2.646 + 2623TIP3 H114178 2.318 0.065 -2.611 + 2623TIP3 H214179 2.456 0.127 -2.605 + 2624TIP3 OH214180 2.536 0.059 -3.506 + 2624TIP3 H114181 2.508 0.116 -3.580 + 2624TIP3 H214182 2.557 -0.022 -3.555 + 2625TIP3 OH214183 1.628 0.074 -2.963 + 2625TIP3 H114184 1.660 0.100 -2.876 + 2625TIP3 H214185 1.595 -0.016 -2.945 + 2626TIP3 OH214186 2.002 -0.189 -4.314 + 2626TIP3 H114187 1.966 -0.214 -4.227 + 2626TIP3 H214188 1.928 -0.135 -4.349 + 2627TIP3 OH214189 1.314 -0.181 -3.600 + 2627TIP3 H114190 1.376 -0.184 -3.525 + 2627TIP3 H214191 1.364 -0.219 -3.674 + 2628TIP3 OH214192 1.472 -0.137 -4.037 + 2628TIP3 H114193 1.527 -0.089 -4.102 + 2628TIP3 H214194 1.404 -0.070 -4.018 + 2629TIP3 OH214195 2.447 0.227 -3.057 + 2629TIP3 H114196 2.490 0.155 -3.109 + 2629TIP3 H214197 2.411 0.178 -2.982 + 2630TIP3 OH214198 2.166 -0.178 -3.557 + 2630TIP3 H114199 2.072 -0.182 -3.534 + 2630TIP3 H214200 2.208 -0.197 -3.471 + 2631TIP3 OH214201 1.623 -0.056 -3.689 + 2631TIP3 H114202 1.542 -0.029 -3.736 + 2631TIP3 H214203 1.652 -0.134 -3.739 + 2632TIP3 OH214204 1.984 -0.014 -3.921 + 2632TIP3 H114205 2.081 -0.010 -3.917 + 2632TIP3 H214206 1.961 0.041 -3.998 + 2633TIP3 OH214207 2.605 -0.263 -3.255 + 2633TIP3 H114208 2.541 -0.263 -3.180 + 2633TIP3 H214209 2.548 -0.297 -3.326 + 2634TIP3 OH214210 1.845 0.096 -4.157 + 2634TIP3 H114211 1.780 0.050 -4.213 + 2634TIP3 H214212 1.916 0.118 -4.219 + 2635TIP3 OH214213 2.904 1.317 -2.588 + 2635TIP3 H114214 2.929 1.359 -2.672 + 2635TIP3 H214215 2.977 1.344 -2.530 + 2636TIP3 OH214216 1.698 0.581 -2.646 + 2636TIP3 H114217 1.764 0.586 -2.574 + 2636TIP3 H214218 1.616 0.570 -2.593 + 2637TIP3 OH214219 2.268 0.077 -3.374 + 2637TIP3 H114220 2.341 0.034 -3.421 + 2637TIP3 H214221 2.252 0.016 -3.300 + 2638TIP3 OH214222 1.799 -0.281 -3.762 + 2638TIP3 H114223 1.744 -0.359 -3.747 + 2638TIP3 H214224 1.882 -0.319 -3.796 + 2639TIP3 OH214225 2.166 -0.076 -3.151 + 2639TIP3 H114226 2.088 -0.019 -3.148 + 2639TIP3 H214227 2.214 -0.052 -3.070 + 2640TIP3 OH214228 2.179 0.562 -3.961 + 2640TIP3 H114229 2.103 0.512 -3.997 + 2640TIP3 H214230 2.160 0.565 -3.864 + 2641TIP3 OH214231 2.901 0.479 -3.086 + 2641TIP3 H114232 2.951 0.532 -3.152 + 2641TIP3 H214233 2.816 0.466 -3.132 + 2642TIP3 OH214234 2.594 -0.161 -4.181 + 2642TIP3 H114235 2.496 -0.162 -4.186 + 2642TIP3 H214236 2.615 -0.084 -4.125 + 2643TIP3 OH214237 2.345 0.564 -2.829 + 2643TIP3 H114238 2.314 0.529 -2.744 + 2643TIP3 H214239 2.312 0.655 -2.828 + 2644TIP3 OH214240 2.655 0.025 -3.986 + 2644TIP3 H114241 2.743 0.006 -3.946 + 2644TIP3 H214242 2.671 0.111 -4.030 + 2645TIP3 OH214243 1.695 0.502 -3.378 + 2645TIP3 H114244 1.749 0.490 -3.458 + 2645TIP3 H214245 1.703 0.415 -3.335 + 2646TIP3 OH214246 2.423 0.696 -4.068 + 2646TIP3 H114247 2.394 0.784 -4.037 + 2646TIP3 H214248 2.345 0.642 -4.042 + 2647TIP3 OH214249 1.421 0.328 -2.848 + 2647TIP3 H114250 1.433 0.283 -2.762 + 2647TIP3 H214251 1.360 0.269 -2.894 + 2648TIP3 OH214252 2.118 0.283 -2.657 + 2648TIP3 H114253 2.083 0.254 -2.743 + 2648TIP3 H214254 2.209 0.250 -2.662 + 2649TIP3 OH214255 2.571 0.826 -2.882 + 2649TIP3 H114256 2.474 0.829 -2.888 + 2649TIP3 H214257 2.586 0.846 -2.789 + 2650TIP3 OH214258 3.129 0.033 -3.999 + 2650TIP3 H114259 3.066 0.013 -4.071 + 2650TIP3 H214260 3.139 0.128 -4.017 + 2651TIP3 OH214261 3.168 0.633 -2.724 + 2651TIP3 H114262 3.074 0.653 -2.743 + 2651TIP3 H214263 3.201 0.612 -2.814 + 2652TIP3 OH214264 2.957 0.889 -3.990 + 2652TIP3 H114265 2.918 0.814 -3.941 + 2652TIP3 H214266 2.980 0.847 -4.074 + 2653TIP3 OH214267 2.667 0.421 -3.257 + 2653TIP3 H114268 2.574 0.405 -3.280 + 2653TIP3 H214269 2.711 0.349 -3.305 + 2654TIP3 OH214270 1.930 0.830 -3.649 + 2654TIP3 H114271 1.973 0.915 -3.666 + 2654TIP3 H214272 1.839 0.847 -3.678 + 2655TIP3 OH214273 1.539 0.318 -4.198 + 2655TIP3 H114274 1.594 0.385 -4.153 + 2655TIP3 H214275 1.449 0.342 -4.168 + 2656TIP3 OH214276 2.115 0.599 -3.688 + 2656TIP3 H114277 2.083 0.689 -3.675 + 2656TIP3 H214278 2.043 0.548 -3.647 + 2657TIP3 OH214279 2.130 1.025 -3.054 + 2657TIP3 H114280 2.187 1.099 -3.083 + 2657TIP3 H214281 2.192 0.974 -3.000 + 2658TIP3 OH214282 1.975 1.119 -3.731 + 2658TIP3 H114283 1.879 1.133 -3.725 + 2658TIP3 H214284 2.010 1.207 -3.708 + 2659TIP3 OH214285 2.472 0.600 -3.097 + 2659TIP3 H114286 2.442 0.570 -3.010 + 2659TIP3 H214287 2.544 0.538 -3.116 + 2660TIP3 OH214288 2.686 0.720 -4.192 + 2660TIP3 H114289 2.733 0.676 -4.119 + 2660TIP3 H214290 2.595 0.716 -4.159 + 2661TIP3 OH214291 2.766 1.057 -2.858 + 2661TIP3 H114292 2.691 1.009 -2.899 + 2661TIP3 H214293 2.774 1.135 -2.916 + 2662TIP3 OH214294 3.178 1.174 -4.159 + 2662TIP3 H114295 3.246 1.244 -4.144 + 2662TIP3 H214296 3.096 1.222 -4.136 + 2663TIP3 OH214297 1.551 -0.207 -2.893 + 2663TIP3 H114298 1.459 -0.182 -2.914 + 2663TIP3 H214299 1.538 -0.291 -2.846 + 2664TIP3 OH214300 2.786 0.590 -3.966 + 2664TIP3 H114301 2.758 0.518 -3.906 + 2664TIP3 H214302 2.884 0.584 -3.959 + 2665TIP3 OH214303 1.525 0.969 -3.049 + 2665TIP3 H114304 1.555 0.878 -3.036 + 2665TIP3 H214305 1.551 1.008 -2.965 + 2666TIP3 OH214306 2.140 0.833 -4.321 + 2666TIP3 H114307 2.172 0.749 -4.357 + 2666TIP3 H214308 2.076 0.800 -4.255 + 2667TIP3 OH214309 1.986 0.787 -4.068 + 2667TIP3 H114310 2.045 0.732 -4.015 + 2667TIP3 H214311 2.014 0.878 -4.047 + 2668TIP3 OH214312 1.679 0.522 -4.035 + 2668TIP3 H114313 1.605 0.566 -3.989 + 2668TIP3 H214314 1.727 0.599 -4.071 + 2669TIP3 OH214315 2.447 -0.224 -3.035 + 2669TIP3 H114316 2.509 -0.197 -2.965 + 2669TIP3 H214317 2.399 -0.298 -2.994 + 2670TIP3 OH214318 2.506 -0.268 -3.921 + 2670TIP3 H114319 2.537 -0.221 -4.000 + 2670TIP3 H214320 2.559 -0.227 -3.851 + 2671TIP3 OH214321 2.291 0.947 -4.022 + 2671TIP3 H114322 2.210 0.998 -4.006 + 2671TIP3 H214323 2.336 1.004 -4.086 + 2672TIP3 OH214324 2.251 -0.077 -3.815 + 2672TIP3 H114325 2.330 -0.021 -3.801 + 2672TIP3 H214326 2.222 -0.094 -3.724 + 2673TIP3 OH214327 2.291 0.013 -2.900 + 2673TIP3 H114328 2.294 0.063 -2.817 + 2673TIP3 H214329 2.342 -0.066 -2.876 + 2674TIP3 OH214330 2.314 -0.375 -3.724 + 2674TIP3 H114331 2.295 -0.307 -3.658 + 2674TIP3 H214332 2.386 -0.332 -3.775 + 2675TIP3 OH214333 2.010 1.065 -4.025 + 2675TIP3 H114334 2.011 1.151 -4.072 + 2675TIP3 H214335 1.997 1.093 -3.932 + 2676TIP3 OH214336 1.886 -0.269 -4.079 + 2676TIP3 H114337 1.878 -0.198 -4.014 + 2676TIP3 H214338 1.961 -0.320 -4.044 + 2677TIP3 OH214339 2.917 -0.187 -2.812 + 2677TIP3 H114340 2.820 -0.175 -2.825 + 2677TIP3 H214341 2.941 -0.211 -2.902 + 2678TIP3 OH214342 2.767 0.197 -3.409 + 2678TIP3 H114343 2.685 0.151 -3.435 + 2678TIP3 H214344 2.816 0.126 -3.362 + 2679TIP3 OH214345 1.719 0.823 -4.157 + 2679TIP3 H114346 1.804 0.843 -4.114 + 2679TIP3 H214347 1.751 0.771 -4.233 + 2680TIP3 OH214348 1.544 0.037 -4.251 + 2680TIP3 H114349 1.558 0.133 -4.238 + 2680TIP3 H214350 1.455 0.036 -4.291 + 2681TIP3 OH214351 2.869 1.083 -3.270 + 2681TIP3 H114352 2.852 1.165 -3.320 + 2681TIP3 H214353 2.961 1.096 -3.244 + 2682TIP3 OH214354 1.631 -0.467 -3.371 + 2682TIP3 H114355 1.612 -0.469 -3.467 + 2682TIP3 H214356 1.596 -0.553 -3.340 + 2683TIP3 OH214357 1.523 0.892 -3.741 + 2683TIP3 H114358 1.438 0.937 -3.730 + 2683TIP3 H214359 1.557 0.933 -3.822 + 2684TIP3 OH214360 1.458 1.173 -2.628 + 2684TIP3 H114361 1.516 1.146 -2.554 + 2684TIP3 H214362 1.421 1.087 -2.655 + 2685TIP3 OH214363 1.926 1.073 -2.446 + 2685TIP3 H114364 2.001 1.014 -2.433 + 2685TIP3 H214365 1.903 1.054 -2.538 + 2686TIP3 OH214366 2.352 1.012 -4.313 + 2686TIP3 H114367 2.271 0.958 -4.322 + 2686TIP3 H214368 2.415 0.952 -4.356 + 2687TIP3 OH214369 2.575 0.908 -2.590 + 2687TIP3 H114370 2.539 0.825 -2.555 + 2687TIP3 H214371 2.646 0.928 -2.527 + 2688TIP3 OH214372 2.745 0.979 -4.285 + 2688TIP3 H114373 2.780 0.901 -4.240 + 2688TIP3 H214374 2.824 1.028 -4.316 + 2689TIP3 OH214375 1.458 0.538 -2.516 + 2689TIP3 H114376 1.468 0.444 -2.541 + 2689TIP3 H214377 1.383 0.565 -2.572 + 2690TIP3 OH214378 1.878 0.593 -4.298 + 2690TIP3 H114379 1.902 0.518 -4.242 + 2690TIP3 H214380 1.938 0.585 -4.374 + 2691TIP3 OH214381 2.114 0.556 -2.581 + 2691TIP3 H114382 2.088 0.586 -2.669 + 2691TIP3 H214383 2.126 0.460 -2.595 + 2692TIP3 OH214384 2.414 0.695 -4.349 + 2692TIP3 H114385 2.427 0.709 -4.254 + 2692TIP3 H214386 2.477 0.625 -4.370 + 2693TIP3 OH214387 2.655 0.517 -2.843 + 2693TIP3 H114388 2.733 0.571 -2.864 + 2693TIP3 H214389 2.585 0.583 -2.846 + 2694TIP3 OH214390 1.539 0.256 -2.587 + 2694TIP3 H114391 1.607 0.186 -2.588 + 2694TIP3 H214392 1.520 0.257 -2.491 + 2695TIP3 OH214393 1.987 0.385 -4.087 + 2695TIP3 H114394 1.923 0.338 -4.031 + 2695TIP3 H214395 2.020 0.314 -4.145 + 2696TIP3 OH214396 1.905 0.162 -2.858 + 2696TIP3 H114397 1.854 0.242 -2.835 + 2696TIP3 H214398 1.972 0.198 -2.918 + 2697TIP3 OH214399 2.103 0.196 -4.273 + 2697TIP3 H114400 2.104 0.176 -4.368 + 2697TIP3 H214401 2.199 0.194 -4.253 + 2698TIP3 OH214402 2.438 0.434 -2.499 + 2698TIP3 H114403 2.527 0.413 -2.531 + 2698TIP3 H214404 2.411 0.350 -2.460 + 2699TIP3 OH214405 1.966 -0.104 -2.741 + 2699TIP3 H114406 1.971 -0.173 -2.810 + 2699TIP3 H214407 1.944 -0.025 -2.793 + 2700TIP3 OH214408 2.000 -0.261 -2.996 + 2700TIP3 H114409 2.051 -0.209 -3.061 + 2700TIP3 H214410 1.909 -0.258 -3.032 + 2701TIP3 OH214411 2.154 0.283 -2.957 + 2701TIP3 H114412 2.238 0.274 -3.004 + 2701TIP3 H214413 2.124 0.371 -2.988 + 2702TIP3 OH214414 2.613 0.077 -2.480 + 2702TIP3 H114415 2.632 -0.017 -2.462 + 2702TIP3 H214416 2.703 0.114 -2.483 + 2703TIP3 OH214417 2.709 0.357 -2.628 + 2703TIP3 H114418 2.675 0.417 -2.698 + 2703TIP3 H214419 2.798 0.338 -2.665 + 2704TIP3 OH214420 1.788 0.076 -2.560 + 2704TIP3 H114421 1.732 -0.003 -2.554 + 2704TIP3 H214422 1.867 0.042 -2.605 + 2705TIP3 OH214423 2.074 -0.528 -2.962 + 2705TIP3 H114424 2.055 -0.432 -2.977 + 2705TIP3 H214425 2.003 -0.569 -3.015 + 2706TIP3 OH214426 2.197 -0.068 -2.581 + 2706TIP3 H114427 2.166 -0.097 -2.494 + 2706TIP3 H214428 2.117 -0.090 -2.635 + 2707TIP3 OH214429 2.451 -0.166 -2.696 + 2707TIP3 H114430 2.363 -0.162 -2.655 + 2707TIP3 H214431 2.498 -0.229 -2.638 + 2708TIP3 OH214432 2.640 -0.318 -2.523 + 2708TIP3 H114433 2.623 -0.413 -2.509 + 2708TIP3 H214434 2.618 -0.278 -2.437 + 2709TIP3 OH214435 1.650 -0.177 -2.576 + 2709TIP3 H114436 1.644 -0.252 -2.637 + 2709TIP3 H214437 1.630 -0.219 -2.490 + 2710TIP3 OH214438 2.055 -0.580 -2.680 + 2710TIP3 H114439 2.115 -0.656 -2.674 + 2710TIP3 H214440 2.054 -0.564 -2.776 + 2711TIP3 OH214441 2.154 -0.390 -2.500 + 2711TIP3 H114442 2.117 -0.451 -2.568 + 2711TIP3 H214443 2.082 -0.326 -2.487 + 2712TIP3 OH214444 2.063 1.321 -4.168 + 2712TIP3 H114445 2.160 1.323 -4.167 + 2712TIP3 H214446 2.041 1.368 -4.250 + 2713TIP3 OH214447 1.451 0.714 -4.193 + 2713TIP3 H114448 1.539 0.754 -4.200 + 2713TIP3 H214449 1.444 0.666 -4.277 + 2714TIP3 OH214450 1.347 1.273 -3.717 + 2714TIP3 H114451 1.279 1.233 -3.776 + 2714TIP3 H214452 1.357 1.202 -3.650 + 2715TIP3 OH214453 1.384 1.075 -3.519 + 2715TIP3 H114454 1.358 0.986 -3.491 + 2715TIP3 H214455 1.423 1.107 -3.436 + 2716TIP3 OH214456 3.141 1.202 -3.219 + 2716TIP3 H114457 3.157 1.196 -3.124 + 2716TIP3 H214458 3.228 1.228 -3.252 + 2717TIP3 OH214459 3.132 1.143 -2.932 + 2717TIP3 H114460 3.079 1.069 -2.967 + 2717TIP3 H214461 3.186 1.096 -2.867 + 2718TIP3 OH214462 2.931 0.688 -2.504 + 2718TIP3 H114463 2.843 0.692 -2.463 + 2718TIP3 H214464 2.976 0.767 -2.470 + 2719TIP3 OH214465 3.072 0.570 -3.930 + 2719TIP3 H114466 3.162 0.603 -3.913 + 2719TIP3 H214467 3.064 0.505 -3.857 + 2720TIP3 OH214468 3.117 0.371 -3.731 + 2720TIP3 H114469 3.049 0.315 -3.688 + 2720TIP3 H214470 3.184 0.382 -3.662 + 2721TIP3 OH214471 3.090 0.623 -3.233 + 2721TIP3 H114472 3.151 0.572 -3.289 + 2721TIP3 H214473 3.102 0.713 -3.266 + 2722TIP3 OH214474 2.962 0.916 -3.011 + 2722TIP3 H114475 2.888 0.953 -2.960 + 2722TIP3 H214476 2.915 0.877 -3.088 + 2723TIP3 OH214477 3.148 0.341 -4.109 + 2723TIP3 H114478 3.081 0.362 -4.175 + 2723TIP3 H214479 3.125 0.405 -4.040 + 2724TIP3 OH214480 2.969 0.078 -4.210 + 2724TIP3 H114481 2.992 0.148 -4.274 + 2724TIP3 H214482 2.993 -0.002 -4.258 + 2725TIP3 OH214483 2.911 0.185 -3.650 + 2725TIP3 H114484 2.902 0.090 -3.667 + 2725TIP3 H214485 2.872 0.194 -3.560 + 2726TIP3 OH214486 1.395 0.409 -3.280 + 2726TIP3 H114487 1.420 0.411 -3.374 + 2726TIP3 H214488 1.481 0.385 -3.240 + 2727TIP3 OH214489 2.971 0.379 -2.737 + 2727TIP3 H114490 3.043 0.316 -2.720 + 2727TIP3 H214491 3.018 0.461 -2.753 + 2728TIP3 OH214492 3.127 0.189 -2.615 + 2728TIP3 H114493 3.047 0.136 -2.637 + 2728TIP3 H214494 3.197 0.121 -2.617 + 2729TIP3 OH214495 2.888 -0.220 -4.320 + 2729TIP3 H114496 2.949 -0.270 -4.265 + 2729TIP3 H214497 2.809 -0.276 -4.323 + 2730TIP3 OH214498 2.890 -0.061 -3.835 + 2730TIP3 H114499 2.915 -0.156 -3.829 + 2730TIP3 H214500 2.972 -0.024 -3.873 + 2731TIP3 OH214501 2.920 -0.002 -3.289 + 2731TIP3 H114502 3.018 0.005 -3.291 + 2731TIP3 H214503 2.906 -0.002 -3.193 + 2732TIP3 OH214504 2.937 0.066 -3.007 + 2732TIP3 H114505 2.851 0.104 -2.980 + 2732TIP3 H214506 2.989 0.146 -3.028 + 2733TIP3 OH214507 1.388 -0.056 -2.643 + 2733TIP3 H114508 1.481 -0.080 -2.628 + 2733TIP3 H214509 1.344 -0.142 -2.631 + 2734TIP3 OH214510 3.198 -0.517 -2.476 + 2734TIP3 H114511 3.232 -0.586 -2.535 + 2734TIP3 H214512 3.196 -0.439 -2.535 + 2735TIP3 OH214513 2.941 -0.336 -3.831 + 2735TIP3 H114514 2.957 -0.375 -3.743 + 2735TIP3 H214515 2.866 -0.391 -3.862 + 2736TIP3 OH214516 1.463 -0.224 -3.359 + 2736TIP3 H114517 1.508 -0.309 -3.352 + 2736TIP3 H214518 1.532 -0.164 -3.325 + 2737TIP3 OH214519 1.317 0.044 -3.255 + 2737TIP3 H114520 1.375 0.038 -3.333 + 2737TIP3 H214521 1.355 0.120 -3.209 + 2738TIP3 OH214522 3.129 -0.315 -2.653 + 2738TIP3 H114523 3.041 -0.273 -2.648 + 2738TIP3 H214524 3.117 -0.370 -2.733 + 2739TIP3 OH214525 3.145 -0.299 -4.176 + 2739TIP3 H114526 3.170 -0.373 -4.233 + 2739TIP3 H214527 3.228 -0.249 -4.172 + 2740TIP3 OH214528 1.367 -0.321 -3.852 + 2740TIP3 H114529 1.272 -0.319 -3.872 + 2740TIP3 H214530 1.405 -0.262 -3.919 + 2741TIP3 OH214531 2.828 1.204 -3.641 + 2741TIP3 H114532 2.876 1.176 -3.721 + 2741TIP3 H214533 2.899 1.239 -3.586 + 2742TIP3 OH214534 1.371 -0.435 -3.036 + 2742TIP3 H114535 1.302 -0.461 -2.974 + 2742TIP3 H214536 1.320 -0.383 -3.100 + 2743TIP3 OH214537 1.570 0.881 -2.565 + 2743TIP3 H114538 1.499 0.870 -2.631 + 2743TIP3 H214539 1.522 0.870 -2.482 + 2744TIP3 OH214540 1.854 0.974 -2.999 + 2744TIP3 H114541 1.824 1.060 -3.035 + 2744TIP3 H214542 1.949 0.981 -3.016 + 2745TIP3 OH214543 2.304 1.105 -2.697 + 2745TIP3 H114544 2.321 1.086 -2.603 + 2745TIP3 H214545 2.388 1.148 -2.724 + 2746TIP3 OH214546 2.534 1.250 -2.774 + 2746TIP3 H114547 2.602 1.185 -2.798 + 2746TIP3 H214548 2.565 1.279 -2.686 + 2747TIP3 OH214549 3.022 -0.495 -2.862 + 2747TIP3 H114550 2.939 -0.470 -2.906 + 2747TIP3 H214551 3.031 -0.588 -2.891 + 2748TIP3 OH214552 1.589 1.270 -2.967 + 2748TIP3 H114553 1.530 1.334 -3.010 + 2748TIP3 H214554 1.557 1.275 -2.876 + 2749TIP3 OH214555 1.841 1.247 -3.110 + 2749TIP3 H114556 1.755 1.265 -3.067 + 2749TIP3 H214557 1.844 1.315 -3.180 + 2750TIP3 OH214558 2.315 1.245 -3.155 + 2750TIP3 H114559 2.278 1.289 -3.233 + 2750TIP3 H214560 2.324 1.320 -3.093 + 2751TIP3 OH214561 2.549 1.118 -3.062 + 2751TIP3 H114562 2.464 1.152 -3.097 + 2751TIP3 H214563 2.605 1.197 -3.066 + 2752TIP3 OH214564 2.803 1.291 -3.044 + 2752TIP3 H114565 2.798 1.386 -3.067 + 2752TIP3 H214566 2.830 1.253 -3.129 + 2753TIP3 OH214567 1.549 1.148 -3.272 + 2753TIP3 H114568 1.548 1.099 -3.187 + 2753TIP3 H214569 1.624 1.105 -3.316 + 2754TIP3 OH214570 1.750 1.025 -3.425 + 2754TIP3 H114571 1.736 0.931 -3.403 + 2754TIP3 H214572 1.843 1.038 -3.397 + 2755TIP3 OH214573 2.027 1.070 -3.339 + 2755TIP3 H114574 2.046 0.978 -3.363 + 2755TIP3 H214575 2.034 1.065 -3.243 + 2756TIP3 OH214576 2.360 -0.341 -3.409 + 2756TIP3 H114577 2.291 -0.409 -3.395 + 2756TIP3 H214578 2.421 -0.387 -3.469 + 2757TIP3 OH214579 2.857 -0.538 -3.363 + 2757TIP3 H114580 2.932 -0.495 -3.407 + 2757TIP3 H214581 2.782 -0.511 -3.418 + 2758TIP3 OH214582 3.060 -0.428 -3.580 + 2758TIP3 H114583 3.134 -0.474 -3.623 + 2758TIP3 H214584 3.095 -0.338 -3.568 + 2759TIP3 OH214585 1.596 -0.470 -3.652 + 2759TIP3 H114586 1.510 -0.482 -3.697 + 2759TIP3 H214587 1.638 -0.556 -3.668 + 2760TIP3 OH214588 1.474 -0.515 -4.081 + 2760TIP3 H114589 1.533 -0.452 -4.127 + 2760TIP3 H214590 1.441 -0.460 -4.008 + 2761TIP3 OH214591 2.043 -0.489 -3.665 + 2761TIP3 H114592 2.133 -0.456 -3.680 + 2761TIP3 H214593 2.041 -0.496 -3.569 + 2762TIP3 OH214594 2.602 -0.483 -3.524 + 2762TIP3 H114595 2.628 -0.497 -3.616 + 2762TIP3 H214596 2.564 -0.569 -3.500 + 2763TIP3 OH214597 2.707 -0.485 -3.919 + 2763TIP3 H114598 2.628 -0.438 -3.953 + 2763TIP3 H214599 2.675 -0.577 -3.919 + 2764TIP3 OH214600 1.480 1.075 -3.962 + 2764TIP3 H114601 1.411 1.072 -4.031 + 2764TIP3 H214602 1.483 1.170 -3.945 + 2765TIP3 OH214603 1.641 -0.345 -4.227 + 2765TIP3 H114604 1.698 -0.400 -4.284 + 2765TIP3 H214605 1.708 -0.292 -4.180 + 2766TIP3 OH214606 2.152 -0.324 -3.958 + 2766TIP3 H114607 2.194 -0.377 -3.888 + 2766TIP3 H214608 2.178 -0.236 -3.929 + 2767TIP3 OH214609 2.362 1.241 -4.146 + 2767TIP3 H114610 2.459 1.251 -4.153 + 2767TIP3 H214611 2.348 1.177 -4.218 + 2768TIP3 OH214612 3.024 1.158 -3.885 + 2768TIP3 H114613 2.993 1.074 -3.926 + 2768TIP3 H214614 2.999 1.224 -3.953 + 2769TIP3 OH214615 1.577 -0.446 -2.703 + 2769TIP3 H114616 1.534 -0.524 -2.664 + 2769TIP3 H214617 1.668 -0.458 -2.671 + 2770TIP3 OH214618 1.812 -0.507 -2.529 + 2770TIP3 H114619 1.895 -0.544 -2.566 + 2770TIP3 H214620 1.778 -0.585 -2.481 + 2771TIP3 OH214621 1.687 1.190 -4.231 + 2771TIP3 H114622 1.639 1.202 -4.148 + 2771TIP3 H214623 1.746 1.116 -4.214 + 2772TIP3 OH214624 2.631 -0.599 -2.511 + 2772TIP3 H114625 2.632 -0.637 -2.421 + 2772TIP3 H214626 2.724 -0.609 -2.537 + 2773TIP3 OH214627 2.963 1.038 -2.641 + 2773TIP3 H114628 2.890 1.017 -2.702 + 2773TIP3 H214629 2.943 1.131 -2.621 + 2774TIP3 OH214630 4.223 0.348 -3.319 + 2774TIP3 H114631 4.284 0.311 -3.253 + 2774TIP3 H214632 4.243 0.298 -3.399 + 2775TIP3 OH214633 3.514 0.308 -3.153 + 2775TIP3 H114634 3.512 0.232 -3.092 + 2775TIP3 H214635 3.585 0.361 -3.114 + 2776TIP3 OH214636 3.581 0.772 -3.305 + 2776TIP3 H114637 3.556 0.680 -3.329 + 2776TIP3 H214638 3.673 0.757 -3.278 + 2777TIP3 OH214639 3.281 0.115 -3.763 + 2777TIP3 H114640 3.235 0.200 -3.754 + 2777TIP3 H214641 3.212 0.060 -3.805 + 2778TIP3 OH214642 3.362 0.358 -3.576 + 2778TIP3 H114643 3.374 0.273 -3.530 + 2778TIP3 H214644 3.445 0.363 -3.626 + 2779TIP3 OH214645 4.131 0.605 -3.260 + 2779TIP3 H114646 4.145 0.525 -3.314 + 2779TIP3 H214647 4.195 0.586 -3.190 + 2780TIP3 OH214648 3.745 -0.162 -3.506 + 2780TIP3 H114649 3.756 -0.078 -3.554 + 2780TIP3 H214650 3.709 -0.219 -3.576 + 2781TIP3 OH214651 3.414 0.109 -3.454 + 2781TIP3 H114652 3.474 0.058 -3.397 + 2781TIP3 H214653 3.420 0.058 -3.537 + 2782TIP3 OH214654 3.952 0.242 -3.504 + 2782TIP3 H114655 4.027 0.188 -3.473 + 2782TIP3 H214656 3.902 0.175 -3.554 + 2783TIP3 OH214657 3.627 -0.283 -3.090 + 2783TIP3 H114658 3.584 -0.237 -3.163 + 2783TIP3 H214659 3.560 -0.275 -3.020 + 2784TIP3 OH214660 3.918 0.498 -3.075 + 2784TIP3 H114661 3.841 0.551 -3.047 + 2784TIP3 H214662 3.977 0.566 -3.111 + 2785TIP3 OH214663 3.583 -0.080 -3.296 + 2785TIP3 H114664 3.650 -0.025 -3.250 + 2785TIP3 H214665 3.641 -0.120 -3.366 + 2786TIP3 OH214666 3.716 0.688 -3.004 + 2786TIP3 H114667 3.712 0.781 -3.033 + 2786TIP3 H214668 3.629 0.680 -2.960 + 2787TIP3 OH214669 3.353 0.660 -3.921 + 2787TIP3 H114670 3.320 0.704 -4.002 + 2787TIP3 H214671 3.361 0.734 -3.856 + 2788TIP3 OH214672 4.041 -0.547 -3.366 + 2788TIP3 H114673 4.011 -0.641 -3.372 + 2788TIP3 H214674 3.957 -0.504 -3.339 + 2789TIP3 OH214675 4.264 0.339 -3.916 + 2789TIP3 H114676 4.200 0.411 -3.928 + 2789TIP3 H214677 4.338 0.370 -3.970 + 2790TIP3 OH214678 4.288 0.197 -4.213 + 2790TIP3 H114679 4.354 0.200 -4.142 + 2790TIP3 H214680 4.298 0.108 -4.247 + 2791TIP3 OH214681 3.762 0.433 -3.618 + 2791TIP3 H114682 3.729 0.387 -3.697 + 2791TIP3 H214683 3.822 0.367 -3.580 + 2792TIP3 OH214684 3.901 0.774 -3.342 + 2792TIP3 H114685 3.886 0.730 -3.427 + 2792TIP3 H214686 3.980 0.727 -3.309 + 2793TIP3 OH214687 3.814 0.317 -3.269 + 2793TIP3 H114688 3.875 0.312 -3.345 + 2793TIP3 H214689 3.859 0.380 -3.210 + 2794TIP3 OH214690 3.905 0.752 -2.788 + 2794TIP3 H114691 3.853 0.814 -2.734 + 2794TIP3 H214692 3.839 0.723 -2.853 + 2795TIP3 OH214693 3.595 0.389 -2.873 + 2795TIP3 H114694 3.599 0.443 -2.792 + 2795TIP3 H214695 3.499 0.372 -2.880 + 2796TIP3 OH214696 4.252 0.960 -3.697 + 2796TIP3 H114697 4.299 1.014 -3.632 + 2796TIP3 H214698 4.197 1.026 -3.740 + 2797TIP3 OH214699 3.710 0.967 -2.701 + 2797TIP3 H114700 3.698 0.966 -2.798 + 2797TIP3 H214701 3.623 0.938 -2.668 + 2798TIP3 OH214702 3.652 0.309 -3.864 + 2798TIP3 H114703 3.624 0.383 -3.920 + 2798TIP3 H214704 3.586 0.241 -3.885 + 2799TIP3 OH214705 3.256 0.575 -2.990 + 2799TIP3 H114706 3.212 0.573 -3.077 + 2799TIP3 H214707 3.269 0.480 -2.972 + 2800TIP3 OH214708 3.263 0.871 -3.299 + 2800TIP3 H114709 3.353 0.838 -3.292 + 2800TIP3 H214710 3.257 0.927 -3.220 + 2801TIP3 OH214711 4.170 0.853 -2.839 + 2801TIP3 H114712 4.181 0.938 -2.794 + 2801TIP3 H214713 4.080 0.825 -2.814 + 2802TIP3 OH214714 4.184 1.232 -3.849 + 2802TIP3 H114715 4.209 1.238 -3.942 + 2802TIP3 H214716 4.207 1.318 -3.812 + 2803TIP3 OH214717 3.573 1.145 -3.680 + 2803TIP3 H114718 3.591 1.102 -3.594 + 2803TIP3 H214719 3.488 1.105 -3.703 + 2804TIP3 OH214720 3.475 0.731 -2.866 + 2804TIP3 H114721 3.502 0.684 -2.784 + 2804TIP3 H214722 3.401 0.675 -2.899 + 2805TIP3 OH214723 3.791 -0.421 -3.304 + 2805TIP3 H114724 3.704 -0.444 -3.340 + 2805TIP3 H214725 3.763 -0.365 -3.229 + 2806TIP3 OH214726 4.247 -0.499 -2.838 + 2806TIP3 H114727 4.235 -0.590 -2.805 + 2806TIP3 H214728 4.157 -0.488 -2.878 + 2807TIP3 OH214729 4.223 -0.214 -4.202 + 2807TIP3 H114730 4.157 -0.229 -4.133 + 2807TIP3 H214731 4.195 -0.280 -4.268 + 2808TIP3 OH214732 3.783 0.058 -3.148 + 2808TIP3 H114733 3.720 0.065 -3.074 + 2808TIP3 H214734 3.783 0.149 -3.185 + 2809TIP3 OH214735 3.774 0.067 -3.662 + 2809TIP3 H114736 3.678 0.053 -3.676 + 2809TIP3 H214737 3.808 0.044 -3.751 + 2810TIP3 OH214738 4.288 0.097 -3.745 + 2810TIP3 H114739 4.264 0.189 -3.768 + 2810TIP3 H214740 4.317 0.061 -3.829 + 2811TIP3 OH214741 4.251 0.147 -2.627 + 2811TIP3 H114742 4.198 0.065 -2.614 + 2811TIP3 H214743 4.340 0.109 -2.630 + 2812TIP3 OH214744 3.516 0.075 -2.963 + 2812TIP3 H114745 3.543 0.100 -2.874 + 2812TIP3 H214746 3.481 -0.015 -2.947 + 2813TIP3 OH214747 3.898 -0.178 -4.309 + 2813TIP3 H114748 3.859 -0.215 -4.228 + 2813TIP3 H214749 3.820 -0.134 -4.348 + 2814TIP3 OH214750 3.204 -0.176 -3.599 + 2814TIP3 H114751 3.264 -0.189 -3.524 + 2814TIP3 H214752 3.248 -0.221 -3.673 + 2815TIP3 OH214753 3.358 -0.137 -4.038 + 2815TIP3 H114754 3.413 -0.089 -4.103 + 2815TIP3 H214755 3.289 -0.072 -4.018 + 2816TIP3 OH214756 4.349 0.204 -3.024 + 2816TIP3 H114757 4.379 0.133 -3.085 + 2816TIP3 H214758 4.281 0.155 -2.976 + 2817TIP3 OH214759 4.049 -0.191 -3.556 + 2817TIP3 H114760 3.954 -0.193 -3.533 + 2817TIP3 H214761 4.088 -0.190 -3.467 + 2818TIP3 OH214762 3.513 -0.053 -3.693 + 2818TIP3 H114763 3.427 -0.032 -3.734 + 2818TIP3 H214764 3.539 -0.136 -3.738 + 2819TIP3 OH214765 3.866 -0.014 -3.922 + 2819TIP3 H114766 3.963 -0.014 -3.918 + 2819TIP3 H214767 3.845 0.043 -3.997 + 2820TIP3 OH214768 3.728 0.104 -4.162 + 2820TIP3 H114769 3.666 0.047 -4.212 + 2820TIP3 H214770 3.806 0.106 -4.219 + 2821TIP3 OH214771 3.583 0.579 -2.647 + 2821TIP3 H114772 3.650 0.585 -2.575 + 2821TIP3 H214773 3.502 0.573 -2.592 + 2822TIP3 OH214774 4.149 0.057 -3.414 + 2822TIP3 H114775 4.213 0.002 -3.461 + 2822TIP3 H214776 4.156 0.022 -3.323 + 2823TIP3 OH214777 3.682 -0.284 -3.766 + 2823TIP3 H114778 3.625 -0.359 -3.742 + 2823TIP3 H214779 3.765 -0.329 -3.787 + 2824TIP3 OH214780 4.054 -0.080 -3.154 + 2824TIP3 H114781 3.977 -0.022 -3.157 + 2824TIP3 H214782 4.101 -0.050 -3.075 + 2825TIP3 OH214783 4.068 0.548 -3.955 + 2825TIP3 H114784 3.991 0.499 -3.990 + 2825TIP3 H214785 4.048 0.557 -3.859 + 2826TIP3 OH214786 4.229 0.571 -2.852 + 2826TIP3 H114787 4.196 0.527 -2.773 + 2826TIP3 H214788 4.208 0.665 -2.838 + 2827TIP3 OH214789 3.580 0.502 -3.377 + 2827TIP3 H114790 3.635 0.489 -3.456 + 2827TIP3 H214791 3.588 0.416 -3.333 + 2828TIP3 OH214792 4.284 0.690 -4.051 + 2828TIP3 H114793 4.252 0.780 -4.031 + 2828TIP3 H214794 4.208 0.637 -4.020 + 2829TIP3 OH214795 3.304 0.329 -2.851 + 2829TIP3 H114796 3.320 0.284 -2.766 + 2829TIP3 H214797 3.244 0.268 -2.897 + 2830TIP3 OH214798 4.003 0.283 -2.652 + 2830TIP3 H114799 3.965 0.246 -2.734 + 2830TIP3 H214800 4.095 0.251 -2.658 + 2831TIP3 OH214801 3.816 0.829 -3.656 + 2831TIP3 H114802 3.857 0.916 -3.665 + 2831TIP3 H214803 3.723 0.849 -3.673 + 2832TIP3 OH214804 3.423 0.324 -4.203 + 2832TIP3 H114805 3.476 0.385 -4.150 + 2832TIP3 H214806 3.333 0.339 -4.168 + 2833TIP3 OH214807 3.996 0.599 -3.690 + 2833TIP3 H114808 3.964 0.689 -3.676 + 2833TIP3 H214809 3.925 0.547 -3.648 + 2834TIP3 OH214810 4.020 1.028 -3.053 + 2834TIP3 H114811 4.079 1.099 -3.085 + 2834TIP3 H214812 4.082 0.977 -2.998 + 2835TIP3 OH214813 3.859 1.120 -3.737 + 2835TIP3 H114814 3.764 1.134 -3.723 + 2835TIP3 H214815 3.897 1.205 -3.708 + 2836TIP3 OH214816 3.436 -0.205 -2.891 + 2836TIP3 H114817 3.345 -0.182 -2.916 + 2836TIP3 H214818 3.423 -0.294 -2.851 + 2837TIP3 OH214819 3.413 0.969 -3.050 + 2837TIP3 H114820 3.441 0.877 -3.033 + 2837TIP3 H214821 3.434 1.009 -2.965 + 2838TIP3 OH214822 3.975 0.821 -4.380 + 2838TIP3 H114823 4.043 0.752 -4.392 + 2838TIP3 H214824 3.946 0.801 -4.288 + 2839TIP3 OH214825 3.875 0.782 -4.071 + 2839TIP3 H114826 3.930 0.728 -4.012 + 2839TIP3 H214827 3.900 0.873 -4.045 + 2840TIP3 OH214828 3.563 0.525 -4.041 + 2840TIP3 H114829 3.488 0.562 -3.990 + 2840TIP3 H214830 3.615 0.605 -4.056 + 2841TIP3 OH214831 4.330 -0.166 -2.988 + 2841TIP3 H114832 4.385 -0.228 -2.940 + 2841TIP3 H214833 4.292 -0.222 -3.057 + 2842TIP3 OH214834 4.162 0.949 -4.030 + 2842TIP3 H114835 4.088 1.004 -4.000 + 2842TIP3 H214836 4.216 1.014 -4.076 + 2843TIP3 OH214837 4.119 -0.101 -3.813 + 2843TIP3 H114838 4.183 -0.034 -3.780 + 2843TIP3 H214839 4.081 -0.127 -3.727 + 2844TIP3 OH214840 4.161 0.012 -2.893 + 2844TIP3 H114841 4.186 0.058 -2.812 + 2844TIP3 H214842 4.231 -0.056 -2.901 + 2845TIP3 OH214843 4.198 -0.383 -3.694 + 2845TIP3 H114844 4.168 -0.304 -3.644 + 2845TIP3 H214845 4.272 -0.348 -3.746 + 2846TIP3 OH214846 3.889 1.064 -4.027 + 2846TIP3 H114847 3.898 1.150 -4.072 + 2846TIP3 H214848 3.878 1.091 -3.933 + 2847TIP3 OH214849 3.770 -0.267 -4.084 + 2847TIP3 H114850 3.761 -0.202 -4.012 + 2847TIP3 H214851 3.837 -0.328 -4.049 + 2848TIP3 OH214852 3.611 0.823 -4.181 + 2848TIP3 H114853 3.681 0.857 -4.122 + 2848TIP3 H214854 3.662 0.754 -4.227 + 2849TIP3 OH214855 3.434 0.038 -4.260 + 2849TIP3 H114856 3.444 0.133 -4.240 + 2849TIP3 H214857 3.341 0.034 -4.290 + 2850TIP3 OH214858 3.488 -0.479 -3.360 + 2850TIP3 H114859 3.484 -0.492 -3.456 + 2850TIP3 H214860 3.482 -0.572 -3.329 + 2851TIP3 OH214861 3.404 0.887 -3.746 + 2851TIP3 H114862 3.324 0.936 -3.724 + 2851TIP3 H214863 3.441 0.937 -3.819 + 2852TIP3 OH214864 3.345 1.173 -2.629 + 2852TIP3 H114865 3.404 1.145 -2.556 + 2852TIP3 H214866 3.307 1.088 -2.657 + 2853TIP3 OH214867 3.816 1.082 -2.453 + 2853TIP3 H114868 3.881 1.014 -2.428 + 2853TIP3 H214869 3.790 1.052 -2.541 + 2854TIP3 OH214870 4.232 1.016 -4.323 + 2854TIP3 H114871 4.157 0.955 -4.321 + 2854TIP3 H214872 4.302 0.959 -4.359 + 2855TIP3 OH214873 3.342 0.538 -2.518 + 2855TIP3 H114874 3.350 0.445 -2.547 + 2855TIP3 H214875 3.264 0.566 -2.569 + 2856TIP3 OH214876 3.790 0.599 -4.322 + 2856TIP3 H114877 3.756 0.536 -4.257 + 2856TIP3 H214878 3.872 0.554 -4.347 + 2857TIP3 OH214879 4.010 0.559 -2.586 + 2857TIP3 H114880 3.976 0.587 -2.672 + 2857TIP3 H214881 4.018 0.461 -2.597 + 2858TIP3 OH214882 4.264 0.688 -4.346 + 2858TIP3 H114883 4.315 0.721 -4.269 + 2858TIP3 H214884 4.323 0.619 -4.378 + 2859TIP3 OH214885 3.428 0.252 -2.599 + 2859TIP3 H114886 3.500 0.186 -2.600 + 2859TIP3 H214887 3.422 0.270 -2.504 + 2860TIP3 OH214888 3.868 0.385 -4.091 + 2860TIP3 H114889 3.806 0.341 -4.031 + 2860TIP3 H214890 3.903 0.310 -4.142 + 2861TIP3 OH214891 3.797 0.167 -2.852 + 2861TIP3 H114892 3.740 0.243 -2.834 + 2861TIP3 H214893 3.850 0.198 -2.926 + 2862TIP3 OH214894 3.995 0.201 -4.277 + 2862TIP3 H114895 3.994 0.174 -4.370 + 2862TIP3 H214896 4.090 0.213 -4.261 + 2863TIP3 OH214897 4.286 0.413 -2.487 + 2863TIP3 H114898 4.359 0.378 -2.539 + 2863TIP3 H214899 4.266 0.335 -2.433 + 2864TIP3 OH214900 3.858 -0.105 -2.739 + 2864TIP3 H114901 3.860 -0.172 -2.810 + 2864TIP3 H214902 3.838 -0.024 -2.790 + 2865TIP3 OH214903 3.886 -0.257 -2.997 + 2865TIP3 H114904 3.932 -0.205 -3.065 + 2865TIP3 H214905 3.795 -0.264 -3.032 + 2866TIP3 OH214906 4.068 0.283 -2.961 + 2866TIP3 H114907 4.135 0.274 -3.030 + 2866TIP3 H214908 4.027 0.368 -2.985 + 2867TIP3 OH214909 3.674 0.077 -2.565 + 2867TIP3 H114910 3.619 -0.004 -2.561 + 2867TIP3 H214911 3.755 0.043 -2.607 + 2868TIP3 OH214912 3.993 -0.511 -2.961 + 2868TIP3 H114913 3.955 -0.422 -2.973 + 2868TIP3 H214914 3.924 -0.564 -3.007 + 2869TIP3 OH214915 4.106 -0.080 -2.586 + 2869TIP3 H114916 4.069 -0.107 -2.500 + 2869TIP3 H214917 4.031 -0.101 -2.644 + 2870TIP3 OH214918 3.539 -0.177 -2.579 + 2870TIP3 H114919 3.531 -0.249 -2.645 + 2870TIP3 H214920 3.519 -0.225 -2.497 + 2871TIP3 OH214921 3.947 -0.577 -2.676 + 2871TIP3 H114922 4.000 -0.658 -2.670 + 2871TIP3 H214923 3.939 -0.566 -2.772 + 2872TIP3 OH214924 4.049 -0.389 -2.501 + 2872TIP3 H114925 4.008 -0.454 -2.562 + 2872TIP3 H214926 3.976 -0.327 -2.486 + 2873TIP3 OH214927 3.961 1.306 -4.175 + 2873TIP3 H114928 4.054 1.327 -4.161 + 2873TIP3 H214929 3.933 1.372 -4.240 + 2874TIP3 OH214930 3.331 0.725 -4.201 + 2874TIP3 H114931 3.425 0.749 -4.200 + 2874TIP3 H214932 3.325 0.658 -4.272 + 2875TIP3 OH214933 3.237 1.269 -3.721 + 2875TIP3 H114934 3.164 1.234 -3.776 + 2875TIP3 H214935 3.242 1.202 -3.650 + 2876TIP3 OH214936 3.273 1.073 -3.520 + 2876TIP3 H114937 3.243 0.986 -3.490 + 2876TIP3 H214938 3.307 1.108 -3.436 + 2877TIP3 OH214939 3.280 0.409 -3.280 + 2877TIP3 H114940 3.306 0.411 -3.374 + 2877TIP3 H214941 3.366 0.385 -3.239 + 2878TIP3 OH214942 3.272 -0.058 -2.640 + 2878TIP3 H114943 3.365 -0.085 -2.636 + 2878TIP3 H214944 3.227 -0.144 -2.632 + 2879TIP3 OH214945 3.350 -0.231 -3.360 + 2879TIP3 H114946 3.390 -0.320 -3.352 + 2879TIP3 H214947 3.422 -0.175 -3.325 + 2880TIP3 OH214948 3.203 0.043 -3.255 + 2880TIP3 H114949 3.261 0.036 -3.333 + 2880TIP3 H214950 3.241 0.119 -3.210 + 2881TIP3 OH214951 3.251 -0.317 -3.848 + 2881TIP3 H114952 3.157 -0.320 -3.871 + 2881TIP3 H214953 3.290 -0.263 -3.918 + 2882TIP3 OH214954 3.252 -0.433 -3.030 + 2882TIP3 H114955 3.178 -0.453 -2.972 + 2882TIP3 H214956 3.207 -0.385 -3.102 + 2883TIP3 OH214957 3.456 0.881 -2.567 + 2883TIP3 H114958 3.383 0.872 -2.630 + 2883TIP3 H214959 3.411 0.867 -2.482 + 2884TIP3 OH214960 3.740 0.973 -3.001 + 2884TIP3 H114961 3.709 1.059 -3.035 + 2884TIP3 H214962 3.836 0.982 -3.017 + 2885TIP3 OH214963 4.221 1.134 -2.710 + 2885TIP3 H114964 4.205 1.100 -2.621 + 2885TIP3 H214965 4.315 1.158 -2.702 + 2886TIP3 OH214966 3.478 1.270 -2.966 + 2886TIP3 H114967 3.418 1.332 -3.010 + 2886TIP3 H214968 3.443 1.271 -2.877 + 2887TIP3 OH214969 3.729 1.246 -3.109 + 2887TIP3 H114970 3.644 1.265 -3.065 + 2887TIP3 H214971 3.733 1.316 -3.177 + 2888TIP3 OH214972 4.197 1.224 -3.155 + 2888TIP3 H114973 4.178 1.273 -3.236 + 2888TIP3 H214974 4.259 1.283 -3.109 + 2889TIP3 OH214975 3.435 1.149 -3.271 + 2889TIP3 H114976 3.433 1.099 -3.186 + 2889TIP3 H214977 3.511 1.104 -3.315 + 2890TIP3 OH214978 3.637 1.023 -3.429 + 2890TIP3 H114979 3.620 0.931 -3.401 + 2890TIP3 H214980 3.727 1.038 -3.395 + 2891TIP3 OH214981 3.913 1.071 -3.340 + 2891TIP3 H114982 3.932 0.978 -3.360 + 2891TIP3 H214983 3.921 1.070 -3.243 + 2892TIP3 OH214984 4.260 -0.373 -3.404 + 2892TIP3 H114985 4.179 -0.426 -3.391 + 2892TIP3 H214986 4.295 -0.412 -3.484 + 2893TIP3 OH214987 3.490 -0.473 -3.652 + 2893TIP3 H114988 3.401 -0.489 -3.690 + 2893TIP3 H214989 3.527 -0.563 -3.653 + 2894TIP3 OH214990 3.356 -0.513 -4.082 + 2894TIP3 H114991 3.418 -0.451 -4.127 + 2894TIP3 H214992 3.327 -0.461 -4.006 + 2895TIP3 OH214993 3.931 -0.474 -3.665 + 2895TIP3 H114994 4.027 -0.461 -3.670 + 2895TIP3 H214995 3.920 -0.499 -3.573 + 2896TIP3 OH214996 3.371 1.075 -3.969 + 2896TIP3 H114997 3.296 1.073 -4.031 + 2896TIP3 H214998 3.368 1.168 -3.941 + 2897TIP3 OH214999 3.528 -0.339 -4.232 + 2897TIP3 H115000 3.580 -0.404 -4.281 + 2897TIP3 H215001 3.597 -0.294 -4.180 + 2898TIP3 OH215002 4.074 -0.324 -3.968 + 2898TIP3 H115003 4.061 -0.388 -3.896 + 2898TIP3 H215004 4.061 -0.239 -3.921 + 2899TIP3 OH215005 4.271 1.225 -4.142 + 2899TIP3 H115006 4.355 1.268 -4.163 + 2899TIP3 H215007 4.254 1.172 -4.223 + 2900TIP3 OH215008 3.460 -0.444 -2.698 + 2900TIP3 H115009 3.420 -0.525 -2.662 + 2900TIP3 H215010 3.553 -0.460 -2.679 + 2901TIP3 OH215011 3.701 -0.508 -2.526 + 2901TIP3 H115012 3.782 -0.544 -2.567 + 2901TIP3 H215013 3.665 -0.588 -2.483 + 2902TIP3 OH215014 3.574 1.185 -4.230 + 2902TIP3 H115015 3.525 1.208 -4.150 + 2902TIP3 H215016 3.629 1.111 -4.203 + 2903TIP3 OH215017 -3.161 2.289 -3.628 + 2903TIP3 H115018 -3.160 2.385 -3.615 + 2903TIP3 H215019 -3.237 2.278 -3.685 + 2904TIP3 OH215020 -3.274 2.234 -3.321 + 2904TIP3 H115021 -3.276 2.179 -3.241 + 2904TIP3 H215022 -3.303 2.172 -3.389 + 2905TIP3 OH215023 -4.027 2.193 -3.157 + 2905TIP3 H115024 -4.032 2.120 -3.092 + 2905TIP3 H215025 -3.960 2.249 -3.116 + 2906TIP3 OH215026 -2.908 2.508 -3.488 + 2906TIP3 H115027 -2.944 2.438 -3.432 + 2906TIP3 H215028 -2.878 2.571 -3.421 + 2907TIP3 OH215029 -3.960 2.655 -3.304 + 2907TIP3 H115030 -3.988 2.565 -3.331 + 2907TIP3 H215031 -3.865 2.640 -3.286 + 2908TIP3 OH215032 -4.210 2.021 -3.870 + 2908TIP3 H115033 -4.237 2.108 -3.838 + 2908TIP3 H215034 -4.296 1.980 -3.887 + 2909TIP3 OH215035 -4.206 2.227 -3.603 + 2909TIP3 H115036 -4.186 2.170 -3.527 + 2909TIP3 H215037 -4.123 2.274 -3.616 + 2910TIP3 OH215038 -3.201 3.044 -3.432 + 2910TIP3 H115039 -3.143 2.973 -3.464 + 2910TIP3 H215040 -3.228 3.011 -3.345 + 2911TIP3 OH215041 -3.426 2.485 -3.264 + 2911TIP3 H115042 -3.392 2.413 -3.321 + 2911TIP3 H215043 -3.345 2.501 -3.211 + 2912TIP3 OH215044 -2.561 1.637 -3.198 + 2912TIP3 H115045 -2.534 1.699 -3.128 + 2912TIP3 H215046 -2.500 1.664 -3.270 + 2913TIP3 OH215047 -3.096 1.918 -3.212 + 2913TIP3 H115048 -3.083 1.822 -3.207 + 2913TIP3 H215049 -3.105 1.932 -3.308 + 2914TIP3 OH215050 -3.799 1.719 -3.506 + 2914TIP3 H115051 -3.785 1.805 -3.550 + 2914TIP3 H215052 -3.835 1.667 -3.580 + 2915TIP3 OH215053 -3.016 1.734 -3.675 + 2915TIP3 H115054 -2.957 1.693 -3.608 + 2915TIP3 H215055 -2.951 1.780 -3.730 + 2916TIP3 OH215056 -4.139 1.992 -3.451 + 2916TIP3 H115057 -4.079 1.952 -3.386 + 2916TIP3 H215058 -4.119 1.939 -3.530 + 2917TIP3 OH215059 -3.592 2.131 -3.509 + 2917TIP3 H115060 -3.522 2.076 -3.469 + 2917TIP3 H215061 -3.643 2.064 -3.557 + 2918TIP3 OH215062 -2.487 1.774 -2.951 + 2918TIP3 H115063 -2.545 1.847 -2.980 + 2918TIP3 H215064 -2.507 1.772 -2.856 + 2919TIP3 OH215065 -3.920 1.599 -3.087 + 2919TIP3 H115066 -3.962 1.646 -3.161 + 2919TIP3 H215067 -3.982 1.619 -3.015 + 2920TIP3 OH215068 -3.171 2.574 -3.750 + 2920TIP3 H115069 -3.202 2.554 -3.838 + 2920TIP3 H215070 -3.214 2.659 -3.731 + 2921TIP3 OH215071 -3.626 2.387 -3.077 + 2921TIP3 H115072 -3.698 2.447 -3.050 + 2921TIP3 H215073 -3.563 2.447 -3.120 + 2922TIP3 OH215074 -2.832 1.660 -3.469 + 2922TIP3 H115075 -2.874 1.605 -3.402 + 2922TIP3 H215076 -2.779 1.721 -3.414 + 2923TIP3 OH215077 -3.957 1.805 -3.296 + 2923TIP3 H115078 -3.894 1.863 -3.250 + 2923TIP3 H215079 -3.900 1.769 -3.367 + 2924TIP3 OH215080 -3.828 2.573 -3.003 + 2924TIP3 H115081 -3.829 2.665 -3.036 + 2924TIP3 H215082 -3.916 2.569 -2.962 + 2925TIP3 OH215083 -4.184 2.534 -3.914 + 2925TIP3 H115084 -4.259 2.557 -3.974 + 2925TIP3 H215085 -4.194 2.600 -3.844 + 2926TIP3 OH215086 -2.852 2.689 -3.239 + 2926TIP3 H115087 -2.948 2.703 -3.237 + 2926TIP3 H215088 -2.822 2.774 -3.275 + 2927TIP3 OH215089 -2.818 1.565 -3.084 + 2927TIP3 H115090 -2.893 1.610 -3.126 + 2927TIP3 H215091 -2.744 1.590 -3.144 + 2928TIP3 OH215092 -3.498 1.338 -3.365 + 2928TIP3 H115093 -3.531 1.247 -3.376 + 2928TIP3 H215094 -3.580 1.384 -3.334 + 2929TIP3 OH215095 -3.021 2.884 -3.582 + 2929TIP3 H115096 -2.973 2.805 -3.614 + 2929TIP3 H215097 -2.953 2.953 -3.592 + 2930TIP3 OH215098 -2.876 2.671 -3.720 + 2930TIP3 H115099 -2.927 2.624 -3.788 + 2930TIP3 H215100 -2.881 2.607 -3.646 + 2931TIP3 OH215101 -2.721 2.552 -2.871 + 2931TIP3 H115102 -2.731 2.488 -2.944 + 2931TIP3 H215103 -2.710 2.636 -2.919 + 2932TIP3 OH215104 -3.292 2.239 -3.905 + 2932TIP3 H115105 -3.359 2.302 -3.938 + 2932TIP3 H215106 -3.220 2.250 -3.969 + 2933TIP3 OH215107 -3.274 2.064 -4.205 + 2933TIP3 H115108 -3.206 2.097 -4.144 + 2933TIP3 H215109 -3.220 2.003 -4.260 + 2934TIP3 OH215110 -2.546 2.168 -3.076 + 2934TIP3 H115111 -2.618 2.235 -3.069 + 2934TIP3 H215112 -2.497 2.204 -3.154 + 2935TIP3 OH215113 -2.945 2.241 -3.795 + 2935TIP3 H115114 -3.013 2.263 -3.727 + 2935TIP3 H215115 -2.884 2.186 -3.742 + 2936TIP3 OH215116 -2.960 2.096 -2.910 + 2936TIP3 H115117 -2.954 2.178 -2.858 + 2936TIP3 H215118 -3.024 2.126 -2.977 + 2937TIP3 OH215119 -3.783 2.320 -3.616 + 2937TIP3 H115120 -3.816 2.278 -3.697 + 2937TIP3 H215121 -3.717 2.255 -3.584 + 2938TIP3 OH215122 -3.649 2.658 -3.341 + 2938TIP3 H115123 -3.658 2.623 -3.431 + 2938TIP3 H215124 -3.568 2.613 -3.310 + 2939TIP3 OH215125 -3.727 2.202 -3.268 + 2939TIP3 H115126 -3.668 2.206 -3.346 + 2939TIP3 H215127 -3.687 2.268 -3.208 + 2940TIP3 OH215128 -3.132 2.752 -3.209 + 2940TIP3 H115129 -3.129 2.820 -3.140 + 2940TIP3 H215130 -3.154 2.670 -3.161 + 2941TIP3 OH215131 -3.643 2.631 -2.783 + 2941TIP3 H115132 -3.694 2.698 -2.735 + 2941TIP3 H215133 -3.707 2.606 -2.853 + 2942TIP3 OH215134 -3.036 2.188 -4.057 + 2942TIP3 H115135 -2.994 2.215 -3.973 + 2942TIP3 H215136 -2.976 2.230 -4.122 + 2943TIP3 OH215137 -3.956 2.266 -2.868 + 2943TIP3 H115138 -3.947 2.327 -2.792 + 2943TIP3 H215139 -4.053 2.263 -2.878 + 2944TIP3 OH215140 -3.304 2.847 -3.694 + 2944TIP3 H115141 -3.253 2.875 -3.618 + 2944TIP3 H215142 -3.350 2.928 -3.720 + 2945TIP3 OH215143 -3.835 2.847 -2.700 + 2945TIP3 H115144 -3.843 2.853 -2.797 + 2945TIP3 H215145 -3.927 2.830 -2.672 + 2946TIP3 OH215146 -2.695 1.355 -4.074 + 2946TIP3 H115147 -2.786 1.375 -4.047 + 2946TIP3 H215148 -2.666 1.440 -4.109 + 2947TIP3 OH215149 -3.892 2.192 -3.866 + 2947TIP3 H115150 -3.917 2.270 -3.918 + 2947TIP3 H215151 -3.964 2.130 -3.888 + 2948TIP3 OH215152 -2.590 2.787 -4.251 + 2948TIP3 H115153 -2.557 2.867 -4.206 + 2948TIP3 H215154 -2.516 2.724 -4.242 + 2949TIP3 OH215155 -4.266 2.476 -3.010 + 2949TIP3 H115156 -4.288 2.443 -3.099 + 2949TIP3 H215157 -4.306 2.407 -2.954 + 2950TIP3 OH215158 -4.283 2.753 -3.311 + 2950TIP3 H115159 -4.196 2.714 -3.293 + 2950TIP3 H215160 -4.299 2.805 -3.232 + 2951TIP3 OH215161 -2.442 2.815 -2.716 + 2951TIP3 H115162 -2.452 2.721 -2.738 + 2951TIP3 H215163 -2.534 2.839 -2.691 + 2952TIP3 OH215164 -3.378 2.737 -2.839 + 2952TIP3 H115165 -3.370 2.819 -2.787 + 2952TIP3 H215166 -3.468 2.708 -2.816 + 2953TIP3 OH215167 -3.346 3.117 -3.846 + 2953TIP3 H115168 -3.348 3.128 -3.943 + 2953TIP3 H215169 -3.342 3.209 -3.815 + 2954TIP3 OH215170 -3.975 3.032 -3.679 + 2954TIP3 H115171 -3.954 2.990 -3.593 + 2954TIP3 H215172 -4.054 2.980 -3.703 + 2955TIP3 OH215173 -3.022 3.080 -4.137 + 2955TIP3 H115174 -2.979 3.021 -4.202 + 2955TIP3 H215175 -3.020 3.025 -4.057 + 2956TIP3 OH215176 -3.075 3.006 -3.862 + 2956TIP3 H115177 -3.168 3.023 -3.841 + 2956TIP3 H215178 -3.053 2.938 -3.796 + 2957TIP3 OH215179 -2.763 1.951 -2.678 + 2957TIP3 H115180 -2.816 1.991 -2.749 + 2957TIP3 H215181 -2.759 1.858 -2.707 + 2958TIP3 OH215182 -4.071 2.616 -2.863 + 2958TIP3 H115183 -4.042 2.559 -2.789 + 2958TIP3 H215184 -4.147 2.566 -2.901 + 2959TIP3 OH215185 -3.746 1.460 -3.290 + 2959TIP3 H115186 -3.829 1.452 -3.341 + 2959TIP3 H215187 -3.767 1.536 -3.234 + 2960TIP3 OH215188 -3.311 1.419 -2.923 + 2960TIP3 H115189 -3.264 1.368 -2.855 + 2960TIP3 H215190 -3.403 1.390 -2.912 + 2961TIP3 OH215191 -2.994 1.800 -2.873 + 2961TIP3 H115192 -3.055 1.785 -2.798 + 2961TIP3 H215193 -3.001 1.896 -2.888 + 2962TIP3 OH215194 -2.815 2.267 -4.251 + 2962TIP3 H115195 -2.860 2.252 -4.335 + 2962TIP3 H215196 -2.782 2.357 -4.266 + 2963TIP3 OH215197 -3.326 1.657 -4.215 + 2963TIP3 H115198 -3.384 1.665 -4.138 + 2963TIP3 H215199 -3.374 1.591 -4.267 + 2964TIP3 OH215200 -3.761 1.942 -3.149 + 2964TIP3 H115201 -3.820 1.954 -3.072 + 2964TIP3 H215202 -3.755 2.033 -3.184 + 2965TIP3 OH215203 -3.769 1.947 -3.660 + 2965TIP3 H115204 -3.865 1.944 -3.678 + 2965TIP3 H215205 -3.734 1.932 -3.750 + 2966TIP3 OH215206 -3.201 2.002 -3.787 + 2966TIP3 H115207 -3.240 2.086 -3.818 + 2966TIP3 H215208 -3.135 1.985 -3.857 + 2967TIP3 OH215209 -3.287 2.026 -2.648 + 2967TIP3 H115210 -3.338 1.951 -2.611 + 2967TIP3 H215211 -3.200 2.013 -2.605 + 2968TIP3 OH215212 -3.122 1.944 -3.505 + 2968TIP3 H115213 -3.149 2.003 -3.578 + 2968TIP3 H215214 -3.101 1.864 -3.557 + 2969TIP3 OH215215 -4.024 1.958 -2.965 + 2969TIP3 H115216 -3.997 1.996 -2.880 + 2969TIP3 H215217 -4.052 1.869 -2.938 + 2970TIP3 OH215218 -3.652 1.696 -4.310 + 2970TIP3 H115219 -3.691 1.671 -4.225 + 2970TIP3 H215220 -3.725 1.750 -4.348 + 2971TIP3 OH215221 -4.322 1.719 -3.597 + 2971TIP3 H115222 -4.305 1.692 -3.505 + 2971TIP3 H215223 -4.279 1.649 -3.647 + 2972TIP3 OH215224 -4.207 1.758 -4.024 + 2972TIP3 H115225 -4.145 1.787 -4.093 + 2972TIP3 H215226 -4.286 1.808 -4.045 + 2973TIP3 OH215227 -3.212 2.113 -3.059 + 2973TIP3 H115228 -3.167 2.041 -3.109 + 2973TIP3 H215229 -3.244 2.066 -2.981 + 2974TIP3 OH215230 -3.490 1.706 -3.558 + 2974TIP3 H115231 -3.585 1.704 -3.535 + 2974TIP3 H215232 -3.449 1.692 -3.471 + 2975TIP3 OH215233 -4.041 1.833 -3.693 + 2975TIP3 H115234 -4.112 1.855 -3.755 + 2975TIP3 H215235 -4.004 1.752 -3.732 + 2976TIP3 OH215236 -3.673 1.867 -3.923 + 2976TIP3 H115237 -3.576 1.876 -3.918 + 2976TIP3 H215238 -3.698 1.927 -3.996 + 2977TIP3 OH215239 -3.051 1.619 -3.256 + 2977TIP3 H115240 -3.114 1.623 -3.181 + 2977TIP3 H215241 -3.111 1.590 -3.326 + 2978TIP3 OH215242 -3.812 1.982 -4.158 + 2978TIP3 H115243 -3.874 1.934 -4.216 + 2978TIP3 H215244 -3.739 2.003 -4.218 + 2979TIP3 OH215245 -2.751 3.200 -2.589 + 2979TIP3 H115246 -2.729 3.246 -2.672 + 2979TIP3 H215247 -2.680 3.231 -2.530 + 2980TIP3 OH215248 -3.953 2.460 -2.647 + 2980TIP3 H115249 -3.890 2.465 -2.572 + 2980TIP3 H215250 -4.037 2.472 -2.598 + 2981TIP3 OH215251 -3.390 1.961 -3.376 + 2981TIP3 H115252 -3.314 1.921 -3.420 + 2981TIP3 H215253 -3.404 1.901 -3.300 + 2982TIP3 OH215254 -3.871 1.599 -3.753 + 2982TIP3 H115255 -3.914 1.513 -3.749 + 2982TIP3 H215256 -3.789 1.578 -3.799 + 2983TIP3 OH215257 -3.492 1.807 -3.149 + 2983TIP3 H115258 -3.569 1.867 -3.150 + 2983TIP3 H215259 -3.444 1.834 -3.069 + 2984TIP3 OH215260 -3.475 2.445 -3.960 + 2984TIP3 H115261 -3.553 2.398 -3.995 + 2984TIP3 H215262 -3.496 2.452 -3.864 + 2985TIP3 OH215263 -2.754 2.363 -3.087 + 2985TIP3 H115264 -2.705 2.418 -3.151 + 2985TIP3 H215265 -2.840 2.353 -3.133 + 2986TIP3 OH215266 -3.060 1.723 -4.182 + 2986TIP3 H115267 -3.158 1.723 -4.188 + 2986TIP3 H215268 -3.040 1.801 -4.127 + 2987TIP3 OH215269 -3.315 2.448 -2.828 + 2987TIP3 H115270 -3.343 2.418 -2.741 + 2987TIP3 H215271 -3.343 2.540 -2.829 + 2988TIP3 OH215272 -3.000 1.909 -3.988 + 2988TIP3 H115273 -2.914 1.893 -3.946 + 2988TIP3 H215274 -2.987 1.997 -4.029 + 2989TIP3 OH215275 -3.978 2.377 -3.391 + 2989TIP3 H115276 -3.910 2.371 -3.460 + 2989TIP3 H215277 -3.961 2.296 -3.339 + 2990TIP3 OH215278 -3.233 2.581 -4.069 + 2990TIP3 H115279 -3.262 2.670 -4.038 + 2990TIP3 H215280 -3.311 2.528 -4.042 + 2991TIP3 OH215281 -4.238 2.231 -2.823 + 2991TIP3 H115282 -4.231 2.166 -2.752 + 2991TIP3 H215283 -4.287 2.180 -2.892 + 2992TIP3 OH215284 -3.541 2.164 -2.653 + 2992TIP3 H115285 -3.575 2.139 -2.740 + 2992TIP3 H215286 -3.447 2.137 -2.662 + 2993TIP3 OH215287 -3.088 2.704 -2.881 + 2993TIP3 H115288 -3.184 2.716 -2.887 + 2993TIP3 H215289 -3.070 2.733 -2.789 + 2994TIP3 OH215290 -2.531 1.921 -3.999 + 2994TIP3 H115291 -2.593 1.901 -4.072 + 2994TIP3 H215292 -2.517 2.016 -4.017 + 2995TIP3 OH215293 -2.489 2.514 -2.723 + 2995TIP3 H115294 -2.582 2.537 -2.743 + 2995TIP3 H215295 -2.454 2.499 -2.813 + 2996TIP3 OH215296 -2.709 2.774 -3.992 + 2996TIP3 H115297 -2.735 2.698 -3.939 + 2996TIP3 H215298 -2.672 2.734 -4.072 + 2997TIP3 OH215299 -2.990 2.306 -3.256 + 2997TIP3 H115300 -3.083 2.292 -3.280 + 2997TIP3 H215301 -2.946 2.235 -3.306 + 2998TIP3 OH215302 -3.727 2.715 -3.651 + 2998TIP3 H115303 -3.686 2.802 -3.664 + 2998TIP3 H215304 -3.819 2.733 -3.675 + 2999TIP3 OH215305 -4.150 2.194 -4.163 + 2999TIP3 H115306 -4.078 2.257 -4.143 + 2999TIP3 H215307 -4.221 2.257 -4.187 + 3000TIP3 OH215308 -3.544 2.484 -3.691 + 3000TIP3 H115309 -3.571 2.575 -3.675 + 3000TIP3 H215310 -3.615 2.434 -3.648 + 3001TIP3 OH215311 -3.526 2.910 -3.055 + 3001TIP3 H115312 -3.471 2.985 -3.084 + 3001TIP3 H215313 -3.464 2.861 -2.998 + 3002TIP3 OH215314 -3.682 3.004 -3.733 + 3002TIP3 H115315 -3.777 3.018 -3.724 + 3002TIP3 H215316 -3.647 3.092 -3.708 + 3003TIP3 OH215317 -3.186 2.484 -3.099 + 3003TIP3 H115318 -3.214 2.458 -3.009 + 3003TIP3 H215319 -3.112 2.424 -3.115 + 3004TIP3 OH215320 -2.969 2.612 -4.194 + 3004TIP3 H115321 -2.921 2.568 -4.122 + 3004TIP3 H215322 -3.060 2.604 -4.160 + 3005TIP3 OH215323 -2.891 2.942 -2.859 + 3005TIP3 H115324 -2.967 2.898 -2.902 + 3005TIP3 H215325 -2.880 3.022 -2.914 + 3006TIP3 OH215326 -2.481 3.059 -4.160 + 3006TIP3 H115327 -2.411 3.126 -4.145 + 3006TIP3 H215328 -2.560 3.111 -4.136 + 3007TIP3 OH215329 -4.100 1.687 -2.887 + 3007TIP3 H115330 -4.186 1.724 -2.915 + 3007TIP3 H215331 -4.123 1.602 -2.846 + 3008TIP3 OH215332 -2.871 2.473 -3.968 + 3008TIP3 H115333 -2.897 2.403 -3.906 + 3008TIP3 H215334 -2.774 2.471 -3.960 + 3009TIP3 OH215335 -4.128 2.857 -3.046 + 3009TIP3 H115336 -4.109 2.763 -3.035 + 3009TIP3 H215337 -4.095 2.892 -2.962 + 3010TIP3 OH215338 -3.520 2.717 -4.327 + 3010TIP3 H115339 -3.482 2.631 -4.354 + 3010TIP3 H215340 -3.574 2.690 -4.250 + 3011TIP3 OH215341 -3.662 2.672 -4.078 + 3011TIP3 H115342 -3.613 2.621 -4.012 + 3011TIP3 H215343 -3.645 2.764 -4.050 + 3012TIP3 OH215344 -3.984 2.409 -4.038 + 3012TIP3 H115345 -4.058 2.449 -3.987 + 3012TIP3 H215346 -3.941 2.491 -4.068 + 3013TIP3 OH215347 -3.206 1.660 -3.037 + 3013TIP3 H115348 -3.149 1.691 -2.966 + 3013TIP3 H215349 -3.260 1.591 -2.994 + 3014TIP3 OH215350 -3.146 1.617 -3.921 + 3014TIP3 H115351 -3.122 1.669 -3.999 + 3014TIP3 H215352 -3.101 1.664 -3.850 + 3015TIP3 OH215353 -3.369 2.831 -4.028 + 3015TIP3 H115354 -3.447 2.882 -4.003 + 3015TIP3 H215355 -3.317 2.898 -4.075 + 3016TIP3 OH215356 -3.404 1.806 -3.815 + 3016TIP3 H115357 -3.328 1.866 -3.802 + 3016TIP3 H215358 -3.434 1.792 -3.723 + 3017TIP3 OH215359 -3.368 1.895 -2.900 + 3017TIP3 H115360 -3.365 1.950 -2.819 + 3017TIP3 H215361 -3.313 1.821 -2.874 + 3018TIP3 OH215362 -3.338 1.510 -3.721 + 3018TIP3 H115363 -3.364 1.581 -3.659 + 3018TIP3 H215364 -3.271 1.556 -3.775 + 3019TIP3 OH215365 -3.648 2.949 -4.025 + 3019TIP3 H115366 -3.645 3.034 -4.074 + 3019TIP3 H215367 -3.662 2.979 -3.933 + 3020TIP3 OH215368 -3.773 1.616 -4.074 + 3020TIP3 H115369 -3.771 1.694 -4.015 + 3020TIP3 H215370 -3.695 1.566 -4.042 + 3021TIP3 OH215371 -2.741 1.699 -2.811 + 3021TIP3 H115372 -2.837 1.712 -2.826 + 3021TIP3 H215373 -2.714 1.678 -2.901 + 3022TIP3 OH215374 -2.890 2.082 -3.409 + 3022TIP3 H115375 -2.972 2.037 -3.435 + 3022TIP3 H215376 -2.842 2.010 -3.361 + 3023TIP3 OH215377 -3.934 2.698 -4.152 + 3023TIP3 H115378 -3.851 2.728 -4.113 + 3023TIP3 H215379 -3.902 2.657 -4.234 + 3024TIP3 OH215380 -4.099 1.926 -4.267 + 3024TIP3 H115381 -4.103 2.016 -4.229 + 3024TIP3 H215382 -4.192 1.907 -4.288 + 3025TIP3 OH215383 -2.787 2.967 -3.269 + 3025TIP3 H115384 -2.805 3.049 -3.320 + 3025TIP3 H215385 -2.694 2.982 -3.245 + 3026TIP3 OH215386 -4.024 1.408 -3.375 + 3026TIP3 H115387 -4.057 1.409 -3.466 + 3026TIP3 H215388 -4.071 1.331 -3.338 + 3027TIP3 OH215389 -4.134 2.782 -3.744 + 3027TIP3 H115390 -4.227 2.809 -3.741 + 3027TIP3 H215391 -4.105 2.816 -3.830 + 3028TIP3 OH215392 -4.214 3.052 -2.623 + 3028TIP3 H115393 -4.151 3.053 -2.549 + 3028TIP3 H215394 -4.215 2.956 -2.638 + 3029TIP3 OH215395 -3.726 2.965 -2.450 + 3029TIP3 H115396 -3.657 2.900 -2.429 + 3029TIP3 H215397 -3.750 2.938 -2.540 + 3030TIP3 OH215398 -3.305 2.901 -4.332 + 3030TIP3 H115399 -3.386 2.846 -4.327 + 3030TIP3 H215400 -3.240 2.832 -4.352 + 3031TIP3 OH215401 -3.080 2.792 -2.593 + 3031TIP3 H115402 -3.119 2.711 -2.555 + 3031TIP3 H215403 -3.011 2.815 -2.528 + 3032TIP3 OH215404 -2.919 2.873 -4.289 + 3032TIP3 H115405 -2.895 2.791 -4.243 + 3032TIP3 H215406 -2.833 2.911 -4.316 + 3033TIP3 OH215407 -4.200 2.457 -2.561 + 3033TIP3 H115408 -4.190 2.368 -2.598 + 3033TIP3 H215409 -4.287 2.484 -2.594 + 3034TIP3 OH215410 -3.779 2.464 -4.315 + 3034TIP3 H115411 -3.753 2.413 -4.236 + 3034TIP3 H215412 -3.699 2.466 -4.370 + 3035TIP3 OH215413 -3.538 2.441 -2.582 + 3035TIP3 H115414 -3.569 2.474 -2.668 + 3035TIP3 H215415 -3.532 2.345 -2.598 + 3036TIP3 OH215416 -3.245 2.581 -4.348 + 3036TIP3 H115417 -3.230 2.593 -4.252 + 3036TIP3 H215418 -3.180 2.513 -4.371 + 3037TIP3 OH215419 -3.001 2.403 -2.844 + 3037TIP3 H115420 -2.923 2.457 -2.863 + 3037TIP3 H215421 -3.071 2.470 -2.845 + 3038TIP3 OH215422 -4.135 2.125 -2.584 + 3038TIP3 H115423 -4.054 2.073 -2.595 + 3038TIP3 H215424 -4.123 2.158 -2.493 + 3039TIP3 OH215425 -3.674 2.274 -4.091 + 3039TIP3 H115426 -3.736 2.228 -4.031 + 3039TIP3 H215427 -3.639 2.200 -4.144 + 3040TIP3 OH215428 -3.750 2.048 -2.856 + 3040TIP3 H115429 -3.805 2.127 -2.838 + 3040TIP3 H215430 -3.684 2.084 -2.918 + 3041TIP3 OH215431 -3.554 2.080 -4.272 + 3041TIP3 H115432 -3.551 2.060 -4.367 + 3041TIP3 H215433 -3.458 2.080 -4.251 + 3042TIP3 OH215434 -3.219 2.319 -2.500 + 3042TIP3 H115435 -3.130 2.300 -2.532 + 3042TIP3 H215436 -3.244 2.235 -2.460 + 3043TIP3 OH215437 -3.692 1.778 -2.741 + 3043TIP3 H115438 -3.684 1.712 -2.813 + 3043TIP3 H215439 -3.712 1.859 -2.791 + 3044TIP3 OH215440 -3.656 1.621 -2.998 + 3044TIP3 H115441 -3.605 1.677 -3.060 + 3044TIP3 H215442 -3.747 1.627 -3.033 + 3045TIP3 OH215443 -3.501 2.169 -2.957 + 3045TIP3 H115444 -3.417 2.162 -3.005 + 3045TIP3 H215445 -3.533 2.256 -2.987 + 3046TIP3 OH215446 -3.045 1.962 -2.479 + 3046TIP3 H115447 -3.022 1.869 -2.464 + 3046TIP3 H215448 -2.957 2.003 -2.484 + 3047TIP3 OH215449 -2.947 2.242 -2.629 + 3047TIP3 H115450 -2.982 2.303 -2.697 + 3047TIP3 H215451 -2.857 2.228 -2.665 + 3048TIP3 OH215452 -3.881 1.968 -2.566 + 3048TIP3 H115453 -3.930 1.884 -2.564 + 3048TIP3 H215454 -3.797 1.941 -2.607 + 3049TIP3 OH215455 -3.579 1.354 -2.970 + 3049TIP3 H115456 -3.598 1.449 -2.983 + 3049TIP3 H215457 -3.654 1.314 -3.019 + 3050TIP3 OH215458 -3.458 1.814 -2.583 + 3050TIP3 H115459 -3.492 1.793 -2.494 + 3050TIP3 H215460 -3.538 1.795 -2.636 + 3051TIP3 OH215461 -3.205 1.717 -2.698 + 3051TIP3 H115462 -3.293 1.724 -2.655 + 3051TIP3 H215463 -3.158 1.657 -2.637 + 3052TIP3 OH215464 -3.021 1.568 -2.524 + 3052TIP3 H115465 -3.035 1.472 -2.507 + 3052TIP3 H215466 -3.038 1.608 -2.436 + 3053TIP3 OH215467 -4.017 1.712 -2.580 + 3053TIP3 H115468 -4.015 1.639 -2.644 + 3053TIP3 H215469 -4.031 1.666 -2.495 + 3054TIP3 OH215470 -3.601 1.307 -2.681 + 3054TIP3 H115471 -3.543 1.230 -2.672 + 3054TIP3 H215472 -3.601 1.322 -2.777 + 3055TIP3 OH215473 -3.505 1.494 -2.497 + 3055TIP3 H115474 -3.537 1.433 -2.566 + 3055TIP3 H215475 -3.575 1.560 -2.491 + 3056TIP3 OH215476 -3.593 3.197 -4.172 + 3056TIP3 H115477 -3.498 3.213 -4.163 + 3056TIP3 H215478 -3.619 3.257 -4.243 + 3057TIP3 OH215479 -4.190 2.641 -4.233 + 3057TIP3 H115480 -4.102 2.662 -4.193 + 3057TIP3 H215481 -4.172 2.559 -4.280 + 3058TIP3 OH215482 -4.275 2.965 -3.524 + 3058TIP3 H115483 -4.277 2.876 -3.486 + 3058TIP3 H215484 -4.243 3.015 -3.447 + 3059TIP3 OH215485 -2.517 3.086 -3.218 + 3059TIP3 H115486 -2.498 3.083 -3.123 + 3059TIP3 H215487 -2.431 3.113 -3.254 + 3060TIP3 OH215488 -2.528 3.030 -2.930 + 3060TIP3 H115489 -2.576 2.954 -2.968 + 3060TIP3 H215490 -2.468 2.984 -2.869 + 3061TIP3 OH215491 -2.726 2.571 -2.501 + 3061TIP3 H115492 -2.815 2.581 -2.463 + 3061TIP3 H215493 -2.681 2.652 -2.473 + 3062TIP3 OH215494 -2.586 2.456 -3.930 + 3062TIP3 H115495 -2.497 2.493 -3.917 + 3062TIP3 H215496 -2.589 2.393 -3.856 + 3063TIP3 OH215497 -2.541 2.256 -3.732 + 3063TIP3 H115498 -2.607 2.200 -3.687 + 3063TIP3 H215499 -2.472 2.270 -3.664 + 3064TIP3 OH215500 -2.568 2.508 -3.234 + 3064TIP3 H115501 -2.505 2.460 -3.291 + 3064TIP3 H215502 -2.554 2.600 -3.262 + 3065TIP3 OH215503 -2.696 2.798 -3.008 + 3065TIP3 H115504 -2.769 2.841 -2.960 + 3065TIP3 H215505 -2.742 2.764 -3.088 + 3066TIP3 OH215506 -2.515 2.221 -4.106 + 3066TIP3 H115507 -2.574 2.253 -4.176 + 3066TIP3 H215508 -2.530 2.290 -4.039 + 3067TIP3 OH215509 -2.693 1.959 -4.218 + 3067TIP3 H115510 -2.663 2.037 -4.267 + 3067TIP3 H215511 -2.645 1.889 -4.263 + 3068TIP3 OH215512 -2.747 2.070 -3.650 + 3068TIP3 H115513 -2.756 1.975 -3.666 + 3068TIP3 H215514 -2.785 2.080 -3.560 + 3069TIP3 OH215515 -4.256 2.321 -3.253 + 3069TIP3 H115516 -4.222 2.345 -3.341 + 3069TIP3 H215517 -4.177 2.280 -3.213 + 3070TIP3 OH215518 -2.686 2.264 -2.736 + 3070TIP3 H115519 -2.612 2.204 -2.718 + 3070TIP3 H215520 -2.642 2.347 -2.756 + 3071TIP3 OH215521 -2.530 2.074 -2.613 + 3071TIP3 H115522 -2.610 2.022 -2.636 + 3071TIP3 H215523 -2.460 2.006 -2.617 + 3072TIP3 OH215524 -2.765 1.633 -4.339 + 3072TIP3 H115525 -2.710 1.625 -4.261 + 3072TIP3 H215526 -2.855 1.609 -4.309 + 3073TIP3 OH215527 -2.767 1.824 -3.836 + 3073TIP3 H115528 -2.738 1.730 -3.829 + 3073TIP3 H215529 -2.687 1.864 -3.872 + 3074TIP3 OH215530 -2.737 1.881 -3.289 + 3074TIP3 H115531 -2.640 1.893 -3.293 + 3074TIP3 H215532 -2.751 1.887 -3.193 + 3075TIP3 OH215533 -2.721 1.951 -3.008 + 3075TIP3 H115534 -2.806 1.991 -2.980 + 3075TIP3 H215535 -2.668 2.031 -3.028 + 3076TIP3 OH215536 -4.285 1.815 -2.647 + 3076TIP3 H115537 -4.195 1.778 -2.643 + 3076TIP3 H215538 -4.343 1.741 -2.625 + 3077TIP3 OH215539 -2.462 1.368 -2.476 + 3077TIP3 H115540 -2.423 1.297 -2.531 + 3077TIP3 H215541 -2.461 1.444 -2.537 + 3078TIP3 OH215542 -2.705 1.553 -3.829 + 3078TIP3 H115543 -2.697 1.514 -3.740 + 3078TIP3 H215544 -2.784 1.505 -3.863 + 3079TIP3 OH215545 -4.195 1.671 -3.329 + 3079TIP3 H115546 -4.159 1.581 -3.332 + 3079TIP3 H215547 -4.115 1.724 -3.311 + 3080TIP3 OH215548 -4.334 1.933 -3.245 + 3080TIP3 H115549 -4.294 1.882 -3.317 + 3080TIP3 H215550 -4.317 2.024 -3.273 + 3081TIP3 OH215551 -2.527 1.571 -2.654 + 3081TIP3 H115552 -2.615 1.612 -2.649 + 3081TIP3 H215553 -2.538 1.516 -2.734 + 3082TIP3 OH215554 -2.512 1.586 -4.175 + 3082TIP3 H115555 -2.486 1.518 -4.238 + 3082TIP3 H215556 -2.430 1.639 -4.170 + 3083TIP3 OH215557 -4.314 1.545 -3.895 + 3083TIP3 H115558 -4.399 1.576 -3.931 + 3083TIP3 H215559 -4.255 1.615 -3.930 + 3084TIP3 OH215560 -2.828 3.086 -3.641 + 3084TIP3 H115561 -2.779 3.062 -3.721 + 3084TIP3 H215562 -2.760 3.128 -3.587 + 3085TIP3 OH215563 -4.291 1.439 -3.059 + 3085TIP3 H115564 -4.359 1.432 -2.987 + 3085TIP3 H215565 -4.334 1.491 -3.128 + 3086TIP3 OH215566 -4.118 2.794 -2.589 + 3086TIP3 H115567 -4.169 2.732 -2.641 + 3086TIP3 H215568 -4.133 2.761 -2.498 + 3087TIP3 OH215569 -3.802 2.860 -2.997 + 3087TIP3 H115570 -3.833 2.944 -3.036 + 3087TIP3 H215571 -3.706 2.869 -3.016 + 3088TIP3 OH215572 -3.352 2.989 -2.699 + 3088TIP3 H115573 -3.337 2.973 -2.604 + 3088TIP3 H215574 -3.269 3.035 -2.724 + 3089TIP3 OH215575 -3.124 3.135 -2.774 + 3089TIP3 H115576 -3.054 3.071 -2.798 + 3089TIP3 H215577 -3.092 3.166 -2.687 + 3090TIP3 OH215578 -2.648 1.392 -2.858 + 3090TIP3 H115579 -2.722 1.420 -2.915 + 3090TIP3 H215580 -2.626 1.304 -2.894 + 3091TIP3 OH215581 -4.070 3.164 -2.974 + 3091TIP3 H115582 -4.137 3.216 -3.022 + 3091TIP3 H215583 -4.101 3.173 -2.883 + 3092TIP3 OH215584 -3.818 3.132 -3.110 + 3092TIP3 H115585 -3.905 3.151 -3.069 + 3092TIP3 H215586 -3.814 3.198 -3.181 + 3093TIP3 OH215587 -3.342 3.131 -3.155 + 3093TIP3 H115588 -3.379 3.176 -3.233 + 3093TIP3 H215589 -3.332 3.206 -3.093 + 3094TIP3 OH215590 -3.108 3.002 -3.063 + 3094TIP3 H115591 -3.193 3.039 -3.096 + 3094TIP3 H215592 -3.051 3.080 -3.066 + 3095TIP3 OH215593 -2.856 3.175 -3.045 + 3095TIP3 H115594 -2.859 3.271 -3.066 + 3095TIP3 H215595 -2.826 3.140 -3.130 + 3096TIP3 OH215596 -4.125 3.040 -3.276 + 3096TIP3 H115597 -4.134 2.995 -3.190 + 3096TIP3 H215598 -4.049 2.993 -3.315 + 3097TIP3 OH215599 -3.910 2.914 -3.424 + 3097TIP3 H115600 -3.926 2.821 -3.398 + 3097TIP3 H215601 -3.819 2.929 -3.392 + 3098TIP3 OH215602 -3.630 2.956 -3.339 + 3098TIP3 H115603 -3.612 2.863 -3.362 + 3098TIP3 H215604 -3.624 2.952 -3.243 + 3099TIP3 OH215605 -3.295 1.546 -3.407 + 3099TIP3 H115606 -3.362 1.478 -3.388 + 3099TIP3 H215607 -3.239 1.501 -3.472 + 3100TIP3 OH215608 -2.801 1.344 -3.369 + 3100TIP3 H115609 -2.724 1.392 -3.405 + 3100TIP3 H215610 -2.875 1.382 -3.420 + 3101TIP3 OH215611 -2.595 1.456 -3.576 + 3101TIP3 H115612 -2.523 1.414 -3.626 + 3101TIP3 H215613 -2.562 1.548 -3.567 + 3102TIP3 OH215614 -4.107 1.403 -3.654 + 3102TIP3 H115615 -4.179 1.376 -3.712 + 3102TIP3 H215616 -4.045 1.328 -3.666 + 3103TIP3 OH215617 -4.180 1.368 -4.080 + 3103TIP3 H115618 -4.130 1.434 -4.134 + 3103TIP3 H215619 -4.229 1.426 -4.020 + 3104TIP3 OH215620 -3.614 1.396 -3.660 + 3104TIP3 H115621 -3.523 1.427 -3.675 + 3104TIP3 H215622 -3.615 1.386 -3.564 + 3105TIP3 OH215623 -3.050 1.402 -3.521 + 3105TIP3 H115624 -3.032 1.394 -3.616 + 3105TIP3 H215625 -3.094 1.317 -3.501 + 3106TIP3 OH215626 -2.936 1.433 -3.915 + 3106TIP3 H115627 -3.011 1.487 -3.946 + 3106TIP3 H215628 -2.979 1.346 -3.918 + 3107TIP3 OH215629 -4.180 2.979 -3.982 + 3107TIP3 H115630 -4.253 2.964 -4.043 + 3107TIP3 H215631 -4.190 3.072 -3.963 + 3108TIP3 OH215632 -4.011 1.546 -4.231 + 3108TIP3 H115633 -3.957 1.485 -4.283 + 3108TIP3 H215634 -3.943 1.591 -4.177 + 3109TIP3 OH215635 -3.504 1.563 -3.958 + 3109TIP3 H115636 -3.465 1.507 -3.890 + 3109TIP3 H215637 -3.477 1.651 -3.926 + 3110TIP3 OH215638 -3.297 3.124 -4.145 + 3110TIP3 H115639 -3.200 3.137 -4.150 + 3110TIP3 H215640 -3.309 3.064 -4.221 + 3111TIP3 OH215641 -2.636 3.044 -3.884 + 3111TIP3 H115642 -2.665 2.961 -3.927 + 3111TIP3 H215643 -2.657 3.110 -3.953 + 3112TIP3 OH215644 -4.077 1.438 -2.707 + 3112TIP3 H115645 -4.124 1.366 -2.662 + 3112TIP3 H215646 -3.987 1.426 -2.672 + 3113TIP3 OH215647 -3.845 1.378 -2.529 + 3113TIP3 H115648 -3.763 1.342 -2.566 + 3113TIP3 H215649 -3.878 1.300 -2.480 + 3114TIP3 OH215650 -3.967 3.065 -4.250 + 3114TIP3 H115651 -4.020 3.097 -4.176 + 3114TIP3 H215652 -3.917 2.992 -4.213 + 3115TIP3 OH215653 -3.033 1.288 -2.516 + 3115TIP3 H115654 -3.032 1.245 -2.429 + 3115TIP3 H215655 -2.938 1.286 -2.539 + 3116TIP3 OH215656 -2.696 2.922 -2.639 + 3116TIP3 H115657 -2.768 2.904 -2.702 + 3116TIP3 H215658 -2.711 3.016 -2.621 + 3117TIP3 OH215659 -1.273 2.293 -3.632 + 3117TIP3 H115660 -1.277 2.388 -3.613 + 3117TIP3 H215661 -1.352 2.280 -3.685 + 3118TIP3 OH215662 -1.385 2.233 -3.322 + 3118TIP3 H115663 -1.390 2.180 -3.241 + 3118TIP3 H215664 -1.418 2.170 -3.388 + 3119TIP3 OH215665 -2.141 2.192 -3.153 + 3119TIP3 H115666 -2.142 2.118 -3.089 + 3119TIP3 H215667 -2.071 2.248 -3.116 + 3120TIP3 OH215668 -1.019 2.506 -3.488 + 3120TIP3 H115669 -1.059 2.438 -3.433 + 3120TIP3 H215670 -0.997 2.573 -3.422 + 3121TIP3 OH215671 -2.078 2.654 -3.299 + 3121TIP3 H115672 -2.099 2.563 -3.327 + 3121TIP3 H215673 -1.982 2.646 -3.284 + 3122TIP3 OH215674 -2.377 1.995 -3.762 + 3122TIP3 H115675 -2.415 2.084 -3.752 + 3122TIP3 H215676 -2.447 1.949 -3.809 + 3123TIP3 OH215677 -2.297 2.242 -3.579 + 3123TIP3 H115678 -2.281 2.159 -3.529 + 3123TIP3 H215679 -2.213 2.255 -3.624 + 3124TIP3 OH215680 -1.294 3.057 -3.415 + 3124TIP3 H115681 -1.284 2.983 -3.477 + 3124TIP3 H215682 -1.335 3.012 -3.339 + 3125TIP3 OH215683 -1.541 2.484 -3.262 + 3125TIP3 H115684 -1.507 2.414 -3.321 + 3125TIP3 H215685 -1.459 2.501 -3.211 + 3126TIP3 OH215686 -0.669 1.637 -3.203 + 3126TIP3 H115687 -0.648 1.697 -3.129 + 3126TIP3 H215688 -0.610 1.671 -3.272 + 3127TIP3 OH215689 -1.210 1.918 -3.212 + 3127TIP3 H115690 -1.196 1.822 -3.208 + 3127TIP3 H215691 -1.220 1.932 -3.308 + 3128TIP3 OH215692 -1.914 1.720 -3.505 + 3128TIP3 H115693 -1.900 1.805 -3.550 + 3128TIP3 H215694 -1.950 1.668 -3.579 + 3129TIP3 OH215695 -1.130 1.735 -3.674 + 3129TIP3 H115696 -1.072 1.692 -3.608 + 3129TIP3 H215697 -1.064 1.779 -3.730 + 3130TIP3 OH215698 -2.245 1.992 -3.453 + 3130TIP3 H115699 -2.181 1.945 -3.397 + 3130TIP3 H215700 -2.236 1.944 -3.538 + 3131TIP3 OH215701 -1.706 2.132 -3.509 + 3131TIP3 H115702 -1.637 2.076 -3.468 + 3131TIP3 H215703 -1.757 2.065 -3.559 + 3132TIP3 OH215704 -0.603 1.774 -2.952 + 3132TIP3 H115705 -0.662 1.846 -2.980 + 3132TIP3 H215706 -0.619 1.773 -2.857 + 3133TIP3 OH215707 -2.033 1.599 -3.088 + 3133TIP3 H115708 -2.073 1.649 -3.161 + 3133TIP3 H215709 -2.099 1.613 -3.018 + 3134TIP3 OH215710 -1.281 2.593 -3.753 + 3134TIP3 H115711 -1.327 2.561 -3.830 + 3134TIP3 H215712 -1.334 2.670 -3.727 + 3135TIP3 OH215713 -1.740 2.387 -3.076 + 3135TIP3 H115714 -1.813 2.447 -3.051 + 3135TIP3 H215715 -1.679 2.447 -3.121 + 3136TIP3 OH215716 -0.946 1.662 -3.470 + 3136TIP3 H115717 -0.985 1.600 -3.406 + 3136TIP3 H215718 -0.895 1.721 -3.413 + 3137TIP3 OH215719 -2.073 1.803 -3.295 + 3137TIP3 H115720 -2.009 1.861 -3.249 + 3137TIP3 H215721 -2.016 1.766 -3.366 + 3138TIP3 OH215722 -1.942 2.573 -3.002 + 3138TIP3 H115723 -1.944 2.664 -3.038 + 3138TIP3 H215724 -2.029 2.572 -2.958 + 3139TIP3 OH215725 -2.312 2.547 -3.917 + 3139TIP3 H115726 -2.329 2.591 -4.003 + 3139TIP3 H215727 -2.294 2.621 -3.856 + 3140TIP3 OH215728 -0.965 2.689 -3.240 + 3140TIP3 H115729 -1.062 2.701 -3.236 + 3140TIP3 H215730 -0.938 2.776 -3.274 + 3141TIP3 OH215731 -0.931 1.578 -3.086 + 3141TIP3 H115732 -1.009 1.615 -3.132 + 3141TIP3 H215733 -0.860 1.594 -3.151 + 3142TIP3 OH215734 -1.620 1.348 -3.381 + 3142TIP3 H115735 -1.643 1.253 -3.386 + 3142TIP3 H215736 -1.702 1.387 -3.344 + 3143TIP3 OH215737 -1.138 2.875 -3.593 + 3143TIP3 H115738 -1.081 2.804 -3.627 + 3143TIP3 H215739 -1.078 2.951 -3.592 + 3144TIP3 OH215740 -0.979 2.660 -3.730 + 3144TIP3 H115741 -1.051 2.625 -3.785 + 3144TIP3 H215742 -0.991 2.608 -3.648 + 3145TIP3 OH215743 -0.833 2.551 -2.870 + 3145TIP3 H115744 -0.847 2.489 -2.944 + 3145TIP3 H215745 -0.826 2.636 -2.917 + 3146TIP3 OH215746 -1.406 2.239 -3.905 + 3146TIP3 H115747 -1.474 2.302 -3.936 + 3146TIP3 H215748 -1.336 2.251 -3.971 + 3147TIP3 OH215749 -1.389 2.065 -4.207 + 3147TIP3 H115750 -1.322 2.095 -4.144 + 3147TIP3 H215751 -1.334 2.004 -4.262 + 3148TIP3 OH215752 -0.660 2.170 -3.076 + 3148TIP3 H115753 -0.734 2.234 -3.068 + 3148TIP3 H215754 -0.614 2.206 -3.155 + 3149TIP3 OH215755 -1.057 2.243 -3.795 + 3149TIP3 H115756 -1.127 2.265 -3.729 + 3149TIP3 H215757 -1.000 2.184 -3.741 + 3150TIP3 OH215758 -1.075 2.095 -2.909 + 3150TIP3 H115759 -1.069 2.178 -2.858 + 3150TIP3 H215760 -1.139 2.125 -2.977 + 3151TIP3 OH215761 -1.901 2.318 -3.615 + 3151TIP3 H115762 -1.930 2.276 -3.698 + 3151TIP3 H215763 -1.832 2.257 -3.583 + 3152TIP3 OH215764 -1.771 2.650 -3.339 + 3152TIP3 H115765 -1.772 2.628 -3.433 + 3152TIP3 H215766 -1.686 2.613 -3.310 + 3153TIP3 OH215767 -1.838 2.198 -3.266 + 3153TIP3 H115768 -1.783 2.205 -3.346 + 3153TIP3 H215769 -1.802 2.269 -3.208 + 3154TIP3 OH215770 -1.241 2.749 -3.207 + 3154TIP3 H115771 -1.244 2.820 -3.141 + 3154TIP3 H215772 -1.268 2.670 -3.158 + 3155TIP3 OH215773 -1.758 2.628 -2.781 + 3155TIP3 H115774 -1.806 2.699 -2.734 + 3155TIP3 H215775 -1.820 2.607 -2.853 + 3156TIP3 OH215776 -1.150 2.187 -4.056 + 3156TIP3 H115777 -1.109 2.214 -3.971 + 3156TIP3 H215778 -1.091 2.232 -4.120 + 3157TIP3 OH215779 -2.062 2.269 -2.869 + 3157TIP3 H115780 -2.057 2.330 -2.793 + 3157TIP3 H215781 -2.158 2.260 -2.879 + 3158TIP3 OH215782 -1.944 2.847 -2.703 + 3158TIP3 H115783 -1.955 2.856 -2.800 + 3158TIP3 H215784 -2.034 2.822 -2.673 + 3159TIP3 OH215785 -0.808 1.352 -4.077 + 3159TIP3 H115786 -0.902 1.367 -4.054 + 3159TIP3 H215787 -0.779 1.442 -4.100 + 3160TIP3 OH215788 -2.006 2.193 -3.863 + 3160TIP3 H115789 -2.029 2.270 -3.919 + 3160TIP3 H215790 -2.074 2.129 -3.889 + 3161TIP3 OH215791 -0.666 2.764 -4.206 + 3161TIP3 H115792 -0.678 2.861 -4.205 + 3161TIP3 H215793 -0.586 2.753 -4.258 + 3162TIP3 OH215794 -2.401 2.461 -2.990 + 3162TIP3 H115795 -2.444 2.462 -3.077 + 3162TIP3 H215796 -2.388 2.365 -2.974 + 3163TIP3 OH215797 -2.395 2.752 -3.295 + 3163TIP3 H115798 -2.302 2.725 -3.293 + 3163TIP3 H215799 -2.398 2.815 -3.222 + 3164TIP3 OH215800 -0.557 2.814 -2.718 + 3164TIP3 H115801 -0.569 2.719 -2.736 + 3164TIP3 H215802 -0.648 2.840 -2.691 + 3165TIP3 OH215803 -1.491 2.735 -2.839 + 3165TIP3 H115804 -1.483 2.819 -2.790 + 3165TIP3 H215805 -1.582 2.708 -2.816 + 3166TIP3 OH215806 -2.071 3.039 -3.691 + 3166TIP3 H115807 -2.037 2.994 -3.611 + 3166TIP3 H215808 -2.148 2.986 -3.712 + 3167TIP3 OH215809 -1.133 3.072 -4.148 + 3167TIP3 H115810 -1.088 3.009 -4.208 + 3167TIP3 H215811 -1.136 3.023 -4.064 + 3168TIP3 OH215812 -1.209 3.008 -3.858 + 3168TIP3 H115813 -1.303 3.022 -3.835 + 3168TIP3 H215814 -1.183 2.947 -3.787 + 3169TIP3 OH215815 -0.879 1.950 -2.678 + 3169TIP3 H115816 -0.929 1.991 -2.750 + 3169TIP3 H215817 -0.873 1.858 -2.708 + 3170TIP3 OH215818 -2.183 2.616 -2.864 + 3170TIP3 H115819 -2.155 2.567 -2.784 + 3170TIP3 H215820 -2.255 2.561 -2.899 + 3171TIP3 OH215821 -1.861 1.463 -3.291 + 3171TIP3 H115822 -1.945 1.457 -3.341 + 3171TIP3 H215823 -1.883 1.535 -3.230 + 3172TIP3 OH215824 -1.425 1.413 -2.920 + 3172TIP3 H115825 -1.378 1.347 -2.866 + 3172TIP3 H215826 -1.519 1.386 -2.911 + 3173TIP3 OH215827 -1.108 1.800 -2.873 + 3173TIP3 H115828 -1.169 1.786 -2.798 + 3173TIP3 H215829 -1.115 1.896 -2.889 + 3174TIP3 OH215830 -0.920 2.267 -4.255 + 3174TIP3 H115831 -0.978 2.252 -4.331 + 3174TIP3 H215832 -0.905 2.361 -4.265 + 3175TIP3 OH215833 -1.442 1.659 -4.216 + 3175TIP3 H115834 -1.497 1.664 -4.137 + 3175TIP3 H215835 -1.488 1.591 -4.266 + 3176TIP3 OH215836 -1.875 1.941 -3.148 + 3176TIP3 H115837 -1.935 1.954 -3.072 + 3176TIP3 H215838 -1.867 2.033 -3.184 + 3177TIP3 OH215839 -1.882 1.949 -3.660 + 3177TIP3 H115840 -1.977 1.940 -3.677 + 3177TIP3 H215841 -1.847 1.930 -3.750 + 3178TIP3 OH215842 -1.314 2.003 -3.785 + 3178TIP3 H115843 -1.355 2.087 -3.818 + 3178TIP3 H215844 -1.251 1.984 -3.857 + 3179TIP3 OH215845 -1.400 2.025 -2.649 + 3179TIP3 H115846 -1.452 1.952 -2.611 + 3179TIP3 H215847 -1.313 2.013 -2.606 + 3180TIP3 OH215848 -1.236 1.944 -3.505 + 3180TIP3 H115849 -1.264 2.002 -3.579 + 3180TIP3 H215850 -1.214 1.863 -3.556 + 3181TIP3 OH215851 -2.144 1.958 -2.964 + 3181TIP3 H115852 -2.113 1.989 -2.878 + 3181TIP3 H215853 -2.176 1.869 -2.942 + 3182TIP3 OH215854 -1.767 1.697 -4.314 + 3182TIP3 H115855 -1.803 1.672 -4.227 + 3182TIP3 H215856 -1.842 1.750 -4.349 + 3183TIP3 OH215857 -2.459 1.702 -3.599 + 3183TIP3 H115858 -2.395 1.701 -3.525 + 3183TIP3 H215859 -2.407 1.667 -3.673 + 3184TIP3 OH215860 -2.300 1.749 -4.038 + 3184TIP3 H115861 -2.244 1.797 -4.102 + 3184TIP3 H215862 -2.367 1.816 -4.017 + 3185TIP3 OH215863 -1.326 2.113 -3.059 + 3185TIP3 H115864 -1.282 2.041 -3.109 + 3185TIP3 H215865 -1.359 2.066 -2.981 + 3186TIP3 OH215866 -1.604 1.707 -3.557 + 3186TIP3 H115867 -1.699 1.704 -3.536 + 3186TIP3 H215868 -1.564 1.690 -3.470 + 3187TIP3 OH215869 -2.149 1.829 -3.689 + 3187TIP3 H115870 -2.230 1.858 -3.736 + 3187TIP3 H215871 -2.120 1.752 -3.740 + 3188TIP3 OH215872 -1.787 1.870 -3.922 + 3188TIP3 H115873 -1.690 1.876 -3.917 + 3188TIP3 H215874 -1.811 1.927 -3.997 + 3189TIP3 OH215875 -1.165 1.622 -3.254 + 3189TIP3 H115876 -1.231 1.623 -3.181 + 3189TIP3 H215877 -1.222 1.588 -3.326 + 3190TIP3 OH215878 -1.927 1.982 -4.157 + 3190TIP3 H115879 -1.991 1.935 -4.212 + 3190TIP3 H215880 -1.855 2.002 -4.218 + 3191TIP3 OH215881 -0.863 3.197 -2.590 + 3191TIP3 H115882 -0.845 3.246 -2.671 + 3191TIP3 H215883 -0.797 3.233 -2.529 + 3192TIP3 OH215884 -2.075 2.459 -2.647 + 3192TIP3 H115885 -2.007 2.470 -2.577 + 3192TIP3 H215886 -2.155 2.465 -2.591 + 3193TIP3 OH215887 -1.503 1.962 -3.374 + 3193TIP3 H115888 -1.429 1.919 -3.420 + 3193TIP3 H215889 -1.519 1.901 -3.300 + 3194TIP3 OH215890 -1.972 1.604 -3.762 + 3194TIP3 H115891 -2.027 1.526 -3.747 + 3194TIP3 H215892 -1.890 1.566 -3.796 + 3195TIP3 OH215893 -1.606 1.809 -3.150 + 3195TIP3 H115894 -1.684 1.866 -3.150 + 3195TIP3 H215895 -1.559 1.835 -3.068 + 3196TIP3 OH215896 -1.589 2.443 -3.959 + 3196TIP3 H115897 -1.668 2.399 -3.995 + 3196TIP3 H215898 -1.613 2.456 -3.864 + 3197TIP3 OH215899 -0.869 2.362 -3.088 + 3197TIP3 H115900 -0.821 2.418 -3.152 + 3197TIP3 H215901 -0.956 2.352 -3.132 + 3198TIP3 OH215902 -1.176 1.723 -4.185 + 3198TIP3 H115903 -1.274 1.721 -4.187 + 3198TIP3 H215904 -1.155 1.799 -4.127 + 3199TIP3 OH215905 -1.429 2.447 -2.827 + 3199TIP3 H115906 -1.459 2.419 -2.740 + 3199TIP3 H215907 -1.457 2.540 -2.830 + 3200TIP3 OH215908 -1.115 1.908 -3.988 + 3200TIP3 H115909 -1.029 1.891 -3.946 + 3200TIP3 H215910 -1.102 1.996 -4.029 + 3201TIP3 OH215911 -2.080 2.384 -3.379 + 3201TIP3 H115912 -2.023 2.377 -3.457 + 3201TIP3 H215913 -2.066 2.298 -3.336 + 3202TIP3 OH215914 -1.346 2.576 -4.069 + 3202TIP3 H115915 -1.373 2.665 -4.040 + 3202TIP3 H215916 -1.424 2.524 -4.041 + 3203TIP3 OH215917 -2.353 2.214 -2.851 + 3203TIP3 H115918 -2.336 2.168 -2.766 + 3203TIP3 H215919 -2.413 2.153 -2.897 + 3204TIP3 OH215920 -1.655 2.162 -2.652 + 3204TIP3 H115921 -1.691 2.139 -2.740 + 3204TIP3 H215922 -1.561 2.140 -2.665 + 3205TIP3 OH215923 -1.202 2.701 -2.880 + 3205TIP3 H115924 -1.298 2.716 -2.887 + 3205TIP3 H215925 -1.184 2.732 -2.789 + 3206TIP3 OH215926 -0.644 1.918 -3.998 + 3206TIP3 H115927 -0.706 1.896 -4.071 + 3206TIP3 H215928 -0.635 2.013 -4.017 + 3207TIP3 OH215929 -0.603 2.515 -2.724 + 3207TIP3 H115930 -0.696 2.538 -2.743 + 3207TIP3 H215931 -0.569 2.500 -2.814 + 3208TIP3 OH215932 -0.833 2.776 -3.994 + 3208TIP3 H115933 -0.856 2.701 -3.939 + 3208TIP3 H215934 -0.780 2.736 -4.066 + 3209TIP3 OH215935 -1.104 2.306 -3.256 + 3209TIP3 H115936 -1.197 2.292 -3.280 + 3209TIP3 H215937 -1.061 2.234 -3.306 + 3210TIP3 OH215938 -1.837 2.734 -3.656 + 3210TIP3 H115939 -1.772 2.806 -3.674 + 3210TIP3 H215940 -1.918 2.771 -3.692 + 3211TIP3 OH215941 -2.232 2.203 -4.197 + 3211TIP3 H115942 -2.178 2.271 -4.152 + 3211TIP3 H215943 -2.322 2.227 -4.169 + 3212TIP3 OH215944 -1.662 2.490 -3.692 + 3212TIP3 H115945 -1.685 2.583 -3.676 + 3212TIP3 H215946 -1.735 2.445 -3.648 + 3213TIP3 OH215947 -1.640 2.909 -3.055 + 3213TIP3 H115948 -1.588 2.986 -3.084 + 3213TIP3 H215949 -1.577 2.864 -2.997 + 3214TIP3 OH215950 -1.301 2.483 -3.099 + 3214TIP3 H115951 -1.329 2.459 -3.009 + 3214TIP3 H215952 -1.226 2.424 -3.114 + 3215TIP3 OH215953 -1.087 2.599 -4.194 + 3215TIP3 H115954 -1.039 2.560 -4.118 + 3215TIP3 H215955 -1.177 2.599 -4.158 + 3216TIP3 OH215956 -1.003 2.940 -2.862 + 3216TIP3 H115957 -1.082 2.898 -2.902 + 3216TIP3 H215958 -0.996 3.022 -2.913 + 3217TIP3 OH215959 -0.595 3.058 -4.160 + 3217TIP3 H115960 -0.526 3.125 -4.143 + 3217TIP3 H215961 -0.675 3.106 -4.129 + 3218TIP3 OH215962 -2.221 1.679 -2.890 + 3218TIP3 H115963 -2.312 1.704 -2.917 + 3218TIP3 H215964 -2.236 1.592 -2.850 + 3219TIP3 OH215965 -0.985 2.466 -3.974 + 3219TIP3 H115966 -1.015 2.403 -3.906 + 3219TIP3 H215967 -0.891 2.475 -3.954 + 3220TIP3 OH215968 -2.248 2.854 -3.049 + 3220TIP3 H115969 -2.213 2.765 -3.036 + 3220TIP3 H215970 -2.221 2.898 -2.967 + 3221TIP3 OH215971 -1.637 2.717 -4.331 + 3221TIP3 H115972 -1.599 2.630 -4.354 + 3221TIP3 H215973 -1.685 2.695 -4.249 + 3222TIP3 OH215974 -1.777 2.678 -4.075 + 3222TIP3 H115975 -1.728 2.625 -4.011 + 3222TIP3 H215976 -1.762 2.769 -4.042 + 3223TIP3 OH215977 -2.093 2.409 -4.036 + 3223TIP3 H115978 -2.168 2.451 -3.988 + 3223TIP3 H215979 -2.046 2.489 -4.067 + 3224TIP3 OH215980 -1.323 1.661 -3.036 + 3224TIP3 H115981 -1.262 1.689 -2.965 + 3224TIP3 H215982 -1.374 1.589 -2.993 + 3225TIP3 OH215983 -1.265 1.617 -3.921 + 3225TIP3 H115984 -1.234 1.667 -3.999 + 3225TIP3 H215985 -1.213 1.658 -3.850 + 3226TIP3 OH215986 -1.489 2.830 -4.045 + 3226TIP3 H115987 -1.545 2.869 -3.974 + 3226TIP3 H215988 -1.433 2.905 -4.066 + 3227TIP3 OH215989 -1.519 1.808 -3.815 + 3227TIP3 H115990 -1.441 1.866 -3.801 + 3227TIP3 H215991 -1.549 1.792 -3.724 + 3228TIP3 OH215992 -1.485 1.895 -2.900 + 3228TIP3 H115993 -1.478 1.950 -2.820 + 3228TIP3 H215994 -1.427 1.821 -2.878 + 3229TIP3 OH215995 -1.456 1.510 -3.723 + 3229TIP3 H115996 -1.478 1.580 -3.658 + 3229TIP3 H215997 -1.385 1.554 -3.775 + 3230TIP3 OH215998 -1.788 2.953 -4.001 + 3230TIP3 H115999 -1.761 3.032 -4.051 + 3230TIP3 H216000 -1.762 2.977 -3.910 + 3231TIP3 OH216001 -1.885 1.617 -4.080 + 3231TIP3 H116002 -1.893 1.688 -4.014 + 3231TIP3 H216003 -1.810 1.566 -4.044 + 3232TIP3 OH216004 -0.856 1.699 -2.810 + 3232TIP3 H116005 -0.951 1.713 -2.829 + 3232TIP3 H216006 -0.827 1.676 -2.899 + 3233TIP3 OH216007 -1.003 2.081 -3.410 + 3233TIP3 H116008 -1.086 2.037 -3.435 + 3233TIP3 H216009 -0.956 2.009 -3.362 + 3234TIP3 OH216010 -2.053 2.704 -4.156 + 3234TIP3 H116011 -1.973 2.737 -4.112 + 3234TIP3 H216012 -2.012 2.654 -4.229 + 3235TIP3 OH216013 -2.227 1.923 -4.253 + 3235TIP3 H116014 -2.213 2.018 -4.238 + 3235TIP3 H216015 -2.316 1.922 -4.292 + 3236TIP3 OH216016 -0.898 2.964 -3.270 + 3236TIP3 H116017 -0.923 3.044 -3.320 + 3236TIP3 H216018 -0.807 2.987 -3.246 + 3237TIP3 OH216019 -2.141 1.419 -3.371 + 3237TIP3 H116020 -2.158 1.416 -3.467 + 3237TIP3 H216021 -2.174 1.332 -3.341 + 3238TIP3 OH216022 -2.253 2.772 -3.747 + 3238TIP3 H116023 -2.328 2.829 -3.725 + 3238TIP3 H216024 -2.209 2.822 -3.817 + 3239TIP3 OH216025 -2.311 3.058 -2.628 + 3239TIP3 H116026 -2.253 3.031 -2.554 + 3239TIP3 H216027 -2.350 2.973 -2.656 + 3240TIP3 OH216028 -1.852 2.969 -2.453 + 3240TIP3 H116029 -1.777 2.915 -2.426 + 3240TIP3 H216030 -1.864 2.940 -2.545 + 3241TIP3 OH216031 -1.418 2.905 -4.339 + 3241TIP3 H116032 -1.499 2.854 -4.319 + 3241TIP3 H216033 -1.355 2.832 -4.352 + 3242TIP3 OH216034 -1.187 2.786 -2.598 + 3242TIP3 H116035 -1.230 2.709 -2.557 + 3242TIP3 H216036 -1.125 2.816 -2.529 + 3243TIP3 OH216037 -1.013 2.851 -4.293 + 3243TIP3 H116038 -0.980 2.789 -4.227 + 3243TIP3 H216039 -0.939 2.914 -4.308 + 3244TIP3 OH216040 -2.318 2.419 -2.514 + 3244TIP3 H116041 -2.305 2.332 -2.554 + 3244TIP3 H216042 -2.392 2.453 -2.568 + 3245TIP3 OH216043 -1.888 2.480 -4.307 + 3245TIP3 H116044 -1.875 2.412 -4.241 + 3245TIP3 H216045 -1.818 2.463 -4.371 + 3246TIP3 OH216046 -1.653 2.439 -2.582 + 3246TIP3 H116047 -1.683 2.476 -2.667 + 3246TIP3 H216048 -1.648 2.343 -2.600 + 3247TIP3 OH216049 -1.359 2.582 -4.348 + 3247TIP3 H116050 -1.347 2.595 -4.252 + 3247TIP3 H216051 -1.296 2.510 -4.366 + 3248TIP3 OH216052 -1.116 2.403 -2.843 + 3248TIP3 H116053 -1.038 2.458 -2.862 + 3248TIP3 H216054 -1.186 2.470 -2.844 + 3249TIP3 OH216055 -2.230 2.133 -2.600 + 3249TIP3 H116056 -2.160 2.066 -2.597 + 3249TIP3 H216057 -2.234 2.158 -2.506 + 3250TIP3 OH216058 -1.788 2.272 -4.091 + 3250TIP3 H116059 -1.849 2.226 -4.031 + 3250TIP3 H216060 -1.752 2.198 -4.144 + 3251TIP3 OH216061 -1.866 2.049 -2.855 + 3251TIP3 H116062 -1.920 2.129 -2.838 + 3251TIP3 H216063 -1.800 2.083 -2.918 + 3252TIP3 OH216064 -1.668 2.082 -4.274 + 3252TIP3 H116065 -1.665 2.058 -4.367 + 3252TIP3 H216066 -1.572 2.080 -4.251 + 3253TIP3 OH216067 -1.334 2.319 -2.499 + 3253TIP3 H116068 -1.244 2.302 -2.531 + 3253TIP3 H216069 -1.357 2.234 -2.460 + 3254TIP3 OH216070 -1.804 1.781 -2.747 + 3254TIP3 H116071 -1.798 1.713 -2.817 + 3254TIP3 H216072 -1.824 1.861 -2.799 + 3255TIP3 OH216073 -1.769 1.620 -2.995 + 3255TIP3 H116074 -1.717 1.670 -3.061 + 3255TIP3 H216075 -1.860 1.622 -3.033 + 3256TIP3 OH216076 -1.615 2.169 -2.955 + 3256TIP3 H116077 -1.532 2.163 -3.005 + 3256TIP3 H216078 -1.648 2.256 -2.986 + 3257TIP3 OH216079 -1.160 1.962 -2.478 + 3257TIP3 H116080 -1.133 1.870 -2.465 + 3257TIP3 H216081 -1.073 2.006 -2.484 + 3258TIP3 OH216082 -1.061 2.241 -2.630 + 3258TIP3 H116083 -1.097 2.303 -2.697 + 3258TIP3 H216084 -0.972 2.227 -2.667 + 3259TIP3 OH216085 -1.975 1.953 -2.553 + 3259TIP3 H116086 -2.034 1.877 -2.562 + 3259TIP3 H216087 -1.902 1.929 -2.612 + 3260TIP3 OH216088 -1.694 1.353 -2.924 + 3260TIP3 H116089 -1.721 1.446 -2.939 + 3260TIP3 H216090 -1.761 1.305 -2.977 + 3261TIP3 OH216091 -1.572 1.809 -2.584 + 3261TIP3 H116092 -1.610 1.783 -2.498 + 3261TIP3 H216093 -1.651 1.796 -2.641 + 3262TIP3 OH216094 -1.323 1.715 -2.699 + 3262TIP3 H116095 -1.408 1.730 -2.654 + 3262TIP3 H216096 -1.273 1.662 -2.633 + 3263TIP3 OH216097 -1.149 1.572 -2.524 + 3263TIP3 H116098 -1.137 1.477 -2.504 + 3263TIP3 H216099 -1.153 1.614 -2.436 + 3264TIP3 OH216100 -2.122 1.710 -2.581 + 3264TIP3 H116101 -2.126 1.638 -2.646 + 3264TIP3 H216102 -2.141 1.662 -2.498 + 3265TIP3 OH216103 -1.706 3.187 -4.179 + 3265TIP3 H116104 -1.617 3.209 -4.147 + 3265TIP3 H216105 -1.727 3.260 -4.239 + 3266TIP3 OH216106 -2.323 2.603 -4.196 + 3266TIP3 H116107 -2.233 2.640 -4.197 + 3266TIP3 H216108 -2.326 2.550 -4.277 + 3267TIP3 OH216109 -2.422 3.155 -3.720 + 3267TIP3 H116110 -2.494 3.118 -3.775 + 3267TIP3 H216111 -2.413 3.088 -3.650 + 3268TIP3 OH216112 -2.386 2.960 -3.519 + 3268TIP3 H116113 -2.412 2.872 -3.488 + 3268TIP3 H216114 -2.346 2.994 -3.438 + 3269TIP3 OH216115 -0.628 3.080 -3.220 + 3269TIP3 H116116 -0.615 3.084 -3.124 + 3269TIP3 H216117 -0.544 3.116 -3.251 + 3270TIP3 OH216118 -0.640 3.029 -2.932 + 3270TIP3 H116119 -0.692 2.955 -2.967 + 3270TIP3 H216120 -0.584 2.982 -2.868 + 3271TIP3 OH216121 -0.840 2.570 -2.501 + 3271TIP3 H116122 -0.929 2.581 -2.465 + 3271TIP3 H216123 -0.796 2.652 -2.473 + 3272TIP3 OH216124 -0.692 2.453 -3.933 + 3272TIP3 H116125 -0.605 2.486 -3.903 + 3272TIP3 H216126 -0.712 2.391 -3.861 + 3273TIP3 OH216127 -0.651 2.254 -3.731 + 3273TIP3 H116128 -0.722 2.201 -3.688 + 3273TIP3 H216129 -0.587 2.268 -3.659 + 3274TIP3 OH216130 -0.679 2.505 -3.232 + 3274TIP3 H116131 -0.616 2.463 -3.292 + 3274TIP3 H216132 -0.674 2.598 -3.261 + 3275TIP3 OH216133 -0.811 2.797 -3.008 + 3275TIP3 H116134 -0.883 2.842 -2.960 + 3275TIP3 H216135 -0.857 2.765 -3.088 + 3276TIP3 OH216136 -0.621 2.228 -4.108 + 3276TIP3 H116137 -0.693 2.241 -4.172 + 3276TIP3 H216138 -0.650 2.289 -4.037 + 3277TIP3 OH216139 -0.801 1.964 -4.214 + 3277TIP3 H116140 -0.777 2.032 -4.279 + 3277TIP3 H216141 -0.771 1.884 -4.259 + 3278TIP3 OH216142 -0.859 2.072 -3.650 + 3278TIP3 H116143 -0.868 1.977 -3.667 + 3278TIP3 H216144 -0.899 2.080 -3.561 + 3279TIP3 OH216145 -2.377 2.290 -3.280 + 3279TIP3 H116146 -2.352 2.299 -3.373 + 3279TIP3 H216147 -2.289 2.272 -3.240 + 3280TIP3 OH216148 -0.801 2.263 -2.737 + 3280TIP3 H116149 -0.726 2.204 -2.717 + 3280TIP3 H216150 -0.757 2.347 -2.755 + 3281TIP3 OH216151 -0.644 2.074 -2.615 + 3281TIP3 H116152 -0.724 2.021 -2.637 + 3281TIP3 H216153 -0.575 2.006 -2.617 + 3282TIP3 OH216154 -0.895 1.655 -4.333 + 3282TIP3 H116155 -0.821 1.605 -4.295 + 3282TIP3 H216156 -0.974 1.609 -4.300 + 3283TIP3 OH216157 -0.881 1.825 -3.836 + 3283TIP3 H116158 -0.856 1.730 -3.829 + 3283TIP3 H216159 -0.799 1.861 -3.873 + 3284TIP3 OH216160 -0.851 1.881 -3.288 + 3284TIP3 H116161 -0.754 1.892 -3.290 + 3284TIP3 H216162 -0.866 1.884 -3.192 + 3285TIP3 OH216163 -0.835 1.952 -3.006 + 3285TIP3 H116164 -0.921 1.991 -2.980 + 3285TIP3 H216165 -0.783 2.032 -3.027 + 3286TIP3 OH216166 -2.385 1.827 -2.640 + 3286TIP3 H116167 -2.291 1.801 -2.636 + 3286TIP3 H216168 -2.430 1.741 -2.633 + 3287TIP3 OH216169 -0.583 1.364 -2.477 + 3287TIP3 H116170 -0.537 1.295 -2.529 + 3287TIP3 H216171 -0.576 1.442 -2.535 + 3288TIP3 OH216172 -0.832 1.549 -3.830 + 3288TIP3 H116173 -0.817 1.510 -3.742 + 3288TIP3 H216174 -0.906 1.494 -3.863 + 3289TIP3 OH216175 -2.309 1.661 -3.358 + 3289TIP3 H116176 -2.261 1.576 -3.352 + 3289TIP3 H216177 -2.240 1.722 -3.325 + 3290TIP3 OH216178 -2.454 1.929 -3.255 + 3290TIP3 H116179 -2.396 1.925 -3.333 + 3290TIP3 H216180 -2.417 2.006 -3.210 + 3291TIP3 OH216181 -0.640 1.572 -2.652 + 3291TIP3 H116182 -0.728 1.613 -2.649 + 3291TIP3 H216183 -0.651 1.516 -2.731 + 3292TIP3 OH216184 -0.617 1.577 -4.158 + 3292TIP3 H116185 -0.613 1.532 -4.246 + 3292TIP3 H216186 -0.540 1.635 -4.171 + 3293TIP3 OH216187 -2.403 1.564 -3.852 + 3293TIP3 H116188 -2.499 1.566 -3.871 + 3293TIP3 H216189 -2.366 1.624 -3.920 + 3294TIP3 OH216190 -0.944 3.083 -3.645 + 3294TIP3 H116191 -0.888 3.057 -3.720 + 3294TIP3 H216192 -0.880 3.126 -3.586 + 3295TIP3 OH216193 -2.399 1.454 -3.031 + 3295TIP3 H116194 -2.471 1.421 -2.975 + 3295TIP3 H216195 -2.449 1.503 -3.099 + 3296TIP3 OH216196 -2.202 2.748 -2.565 + 3296TIP3 H116197 -2.273 2.758 -2.630 + 3296TIP3 H216198 -2.248 2.766 -2.481 + 3297TIP3 OH216199 -1.918 2.860 -2.999 + 3297TIP3 H116200 -1.947 2.945 -3.036 + 3297TIP3 H216201 -1.822 2.868 -3.017 + 3298TIP3 OH216202 -1.464 2.987 -2.706 + 3298TIP3 H116203 -1.455 2.976 -2.610 + 3298TIP3 H216204 -1.382 3.036 -2.728 + 3299TIP3 OH216205 -1.235 3.138 -2.775 + 3299TIP3 H116206 -1.168 3.071 -2.796 + 3299TIP3 H216207 -1.206 3.167 -2.686 + 3300TIP3 OH216208 -0.756 1.393 -2.853 + 3300TIP3 H116209 -0.834 1.413 -2.908 + 3300TIP3 H216210 -0.731 1.304 -2.887 + 3301TIP3 OH216211 -2.183 3.151 -2.965 + 3301TIP3 H116212 -2.239 3.217 -3.011 + 3301TIP3 H216213 -2.213 3.162 -2.874 + 3302TIP3 OH216214 -1.931 3.130 -3.110 + 3302TIP3 H116215 -2.016 3.153 -3.067 + 3302TIP3 H216216 -1.924 3.198 -3.179 + 3303TIP3 OH216217 -1.458 3.128 -3.152 + 3303TIP3 H116218 -1.496 3.170 -3.232 + 3303TIP3 H216219 -1.449 3.206 -3.094 + 3304TIP3 OH216220 -1.224 3.002 -3.061 + 3304TIP3 H116221 -1.308 3.037 -3.096 + 3304TIP3 H216222 -1.168 3.081 -3.067 + 3305TIP3 OH216223 -0.966 3.175 -3.044 + 3305TIP3 H116224 -0.974 3.270 -3.064 + 3305TIP3 H216225 -0.942 3.141 -3.132 + 3306TIP3 OH216226 -2.225 3.033 -3.272 + 3306TIP3 H116227 -2.224 2.986 -3.186 + 3306TIP3 H216228 -2.147 2.992 -3.316 + 3307TIP3 OH216229 -2.021 2.912 -3.422 + 3307TIP3 H116230 -2.032 2.818 -3.400 + 3307TIP3 H216231 -1.928 2.928 -3.395 + 3308TIP3 OH216232 -1.753 2.957 -3.336 + 3308TIP3 H116233 -1.719 2.873 -3.370 + 3308TIP3 H216234 -1.737 2.948 -3.241 + 3309TIP3 OH216235 -1.410 1.543 -3.407 + 3309TIP3 H116236 -1.481 1.476 -3.395 + 3309TIP3 H216237 -1.351 1.499 -3.470 + 3310TIP3 OH216238 -0.916 1.350 -3.361 + 3310TIP3 H116239 -0.840 1.391 -3.405 + 3310TIP3 H216240 -0.990 1.376 -3.419 + 3311TIP3 OH216241 -0.709 1.457 -3.575 + 3311TIP3 H116242 -0.638 1.413 -3.626 + 3311TIP3 H216243 -0.676 1.549 -3.569 + 3312TIP3 OH216244 -2.175 1.416 -3.652 + 3312TIP3 H116245 -2.261 1.404 -3.697 + 3312TIP3 H216246 -2.134 1.329 -3.668 + 3313TIP3 OH216247 -2.298 1.372 -4.080 + 3313TIP3 H116248 -2.238 1.434 -4.127 + 3313TIP3 H216249 -2.330 1.427 -4.008 + 3314TIP3 OH216250 -1.729 1.398 -3.666 + 3314TIP3 H116251 -1.638 1.429 -3.680 + 3314TIP3 H216252 -1.732 1.390 -3.570 + 3315TIP3 OH216253 -1.167 1.403 -3.524 + 3315TIP3 H116254 -1.144 1.389 -3.616 + 3315TIP3 H216255 -1.207 1.317 -3.500 + 3316TIP3 OH216256 -1.064 1.400 -3.921 + 3316TIP3 H116257 -1.144 1.446 -3.952 + 3316TIP3 H216258 -1.097 1.308 -3.915 + 3317TIP3 OH216259 -2.290 2.961 -3.966 + 3317TIP3 H116260 -2.362 2.961 -4.032 + 3317TIP3 H216261 -2.287 3.054 -3.941 + 3318TIP3 OH216262 -2.128 1.541 -4.228 + 3318TIP3 H116263 -2.072 1.484 -4.282 + 3318TIP3 H216264 -2.062 1.593 -4.179 + 3319TIP3 OH216265 -1.618 1.561 -3.959 + 3319TIP3 H116266 -1.578 1.508 -3.889 + 3319TIP3 H216267 -1.594 1.650 -3.928 + 3320TIP3 OH216268 -1.412 3.133 -4.140 + 3320TIP3 H116269 -1.315 3.143 -4.143 + 3320TIP3 H216270 -1.426 3.065 -4.208 + 3321TIP3 OH216271 -0.747 3.043 -3.886 + 3321TIP3 H116272 -0.782 2.962 -3.928 + 3321TIP3 H216273 -0.774 3.112 -3.950 + 3322TIP3 OH216274 -2.197 1.439 -2.700 + 3322TIP3 H116275 -2.237 1.357 -2.665 + 3322TIP3 H216276 -2.104 1.426 -2.675 + 3323TIP3 OH216277 -1.958 1.373 -2.530 + 3323TIP3 H116278 -1.879 1.328 -2.562 + 3323TIP3 H216279 -2.003 1.301 -2.484 + 3324TIP3 OH216280 -2.091 3.066 -4.232 + 3324TIP3 H116281 -2.127 3.095 -4.147 + 3324TIP3 H216282 -2.020 3.006 -4.206 + 3325TIP3 OH216283 -1.156 1.289 -2.505 + 3325TIP3 H116284 -1.140 1.248 -2.417 + 3325TIP3 H216285 -1.065 1.287 -2.541 + 3326TIP3 OH216286 -0.808 2.922 -2.641 + 3326TIP3 H116287 -0.882 2.904 -2.702 + 3326TIP3 H216288 -0.826 3.016 -2.620 + 3327TIP3 OH216289 0.609 2.289 -3.626 + 3327TIP3 H116290 0.610 2.385 -3.615 + 3327TIP3 H216291 0.536 2.278 -3.688 + 3328TIP3 OH216292 0.497 2.231 -3.317 + 3328TIP3 H116293 0.494 2.175 -3.239 + 3328TIP3 H216294 0.472 2.169 -3.387 + 3329TIP3 OH216295 -0.185 2.179 -3.156 + 3329TIP3 H116296 -0.234 2.114 -3.100 + 3329TIP3 H216297 -0.189 2.257 -3.098 + 3330TIP3 OH216298 0.864 2.508 -3.488 + 3330TIP3 H116299 0.827 2.437 -3.433 + 3330TIP3 H216300 0.893 2.571 -3.421 + 3331TIP3 OH216301 -0.188 2.656 -3.302 + 3331TIP3 H116302 -0.209 2.563 -3.326 + 3331TIP3 H216303 -0.094 2.647 -3.279 + 3332TIP3 OH216304 -0.491 2.003 -3.762 + 3332TIP3 H116305 -0.540 2.086 -3.754 + 3332TIP3 H216306 -0.556 1.945 -3.804 + 3333TIP3 OH216307 -0.405 2.243 -3.569 + 3333TIP3 H116308 -0.394 2.155 -3.528 + 3333TIP3 H216309 -0.325 2.248 -3.624 + 3334TIP3 OH216310 0.568 3.043 -3.433 + 3334TIP3 H116311 0.629 2.973 -3.464 + 3334TIP3 H216312 0.543 3.010 -3.345 + 3335TIP3 OH216313 0.344 2.482 -3.262 + 3335TIP3 H116314 0.380 2.413 -3.320 + 3335TIP3 H216315 0.425 2.502 -3.212 + 3336TIP3 OH216316 1.212 1.637 -3.198 + 3336TIP3 H116317 1.238 1.699 -3.128 + 3336TIP3 H216318 1.273 1.664 -3.269 + 3337TIP3 OH216319 0.674 1.918 -3.212 + 3337TIP3 H116320 0.692 1.823 -3.208 + 3337TIP3 H216321 0.668 1.931 -3.308 + 3338TIP3 OH216322 -0.034 1.725 -3.500 + 3338TIP3 H116323 -0.016 1.806 -3.553 + 3338TIP3 H216324 -0.068 1.667 -3.571 + 3339TIP3 OH216325 0.755 1.736 -3.674 + 3339TIP3 H116326 0.813 1.693 -3.607 + 3339TIP3 H216327 0.822 1.779 -3.730 + 3340TIP3 OH216328 -0.350 1.992 -3.453 + 3340TIP3 H116329 -0.296 1.937 -3.395 + 3340TIP3 H216330 -0.346 1.942 -3.536 + 3341TIP3 OH216331 0.145 2.118 -3.461 + 3341TIP3 H116332 0.231 2.076 -3.440 + 3341TIP3 H216333 0.113 2.062 -3.534 + 3342TIP3 OH216334 1.284 1.775 -2.951 + 3342TIP3 H116335 1.225 1.848 -2.979 + 3342TIP3 H216336 1.266 1.773 -2.856 + 3343TIP3 OH216337 -0.152 1.593 -3.092 + 3343TIP3 H116338 -0.183 1.658 -3.157 + 3343TIP3 H216339 -0.215 1.607 -3.019 + 3344TIP3 OH216340 0.600 2.574 -3.750 + 3344TIP3 H116341 0.570 2.554 -3.839 + 3344TIP3 H216342 0.557 2.659 -3.731 + 3345TIP3 OH216343 0.111 2.360 -3.112 + 3345TIP3 H116344 0.052 2.429 -3.075 + 3345TIP3 H216345 0.184 2.413 -3.148 + 3346TIP3 OH216346 0.937 1.662 -3.469 + 3346TIP3 H116347 0.904 1.598 -3.405 + 3346TIP3 H216348 0.990 1.721 -3.412 + 3347TIP3 OH216349 -0.155 1.818 -3.274 + 3347TIP3 H116350 -0.097 1.894 -3.263 + 3347TIP3 H216351 -0.113 1.774 -3.352 + 3348TIP3 OH216352 -0.052 2.568 -3.006 + 3348TIP3 H116353 -0.053 2.661 -3.034 + 3348TIP3 H216354 -0.138 2.564 -2.959 + 3349TIP3 OH216355 -0.423 2.560 -3.932 + 3349TIP3 H116356 -0.479 2.622 -3.979 + 3349TIP3 H216357 -0.397 2.616 -3.855 + 3350TIP3 OH216358 0.920 2.689 -3.239 + 3350TIP3 H116359 0.823 2.702 -3.237 + 3350TIP3 H216360 0.948 2.775 -3.275 + 3351TIP3 OH216361 0.954 1.574 -3.086 + 3351TIP3 H116362 0.875 1.613 -3.129 + 3351TIP3 H216363 1.025 1.595 -3.150 + 3352TIP3 OH216364 0.266 1.348 -3.381 + 3352TIP3 H116365 0.244 1.253 -3.386 + 3352TIP3 H216366 0.183 1.386 -3.343 + 3353TIP3 OH216367 0.750 2.883 -3.583 + 3353TIP3 H116368 0.799 2.805 -3.614 + 3353TIP3 H216369 0.818 2.953 -3.592 + 3354TIP3 OH216370 0.896 2.670 -3.721 + 3354TIP3 H116371 0.844 2.623 -3.788 + 3354TIP3 H216372 0.891 2.607 -3.646 + 3355TIP3 OH216373 1.049 2.553 -2.871 + 3355TIP3 H116374 1.040 2.487 -2.942 + 3355TIP3 H216375 1.062 2.635 -2.921 + 3356TIP3 OH216376 0.478 2.242 -3.905 + 3356TIP3 H116377 0.412 2.303 -3.943 + 3356TIP3 H216378 0.551 2.250 -3.968 + 3357TIP3 OH216379 0.496 2.064 -4.205 + 3357TIP3 H116380 0.566 2.096 -4.145 + 3357TIP3 H216381 0.550 2.003 -4.261 + 3358TIP3 OH216382 1.226 2.168 -3.077 + 3358TIP3 H116383 1.154 2.233 -3.067 + 3358TIP3 H216384 1.273 2.204 -3.155 + 3359TIP3 OH216385 0.827 2.242 -3.794 + 3359TIP3 H116386 0.759 2.263 -3.726 + 3359TIP3 H216387 0.887 2.185 -3.742 + 3360TIP3 OH216388 0.810 2.098 -2.907 + 3360TIP3 H116389 0.818 2.180 -2.856 + 3360TIP3 H216390 0.745 2.127 -2.973 + 3361TIP3 OH216391 -0.016 2.319 -3.617 + 3361TIP3 H116392 -0.043 2.273 -3.699 + 3361TIP3 H216393 0.044 2.256 -3.576 + 3362TIP3 OH216394 0.122 2.659 -3.341 + 3362TIP3 H116395 0.115 2.620 -3.429 + 3362TIP3 H216396 0.201 2.615 -3.306 + 3363TIP3 OH216397 0.640 2.752 -3.209 + 3363TIP3 H116398 0.642 2.820 -3.139 + 3363TIP3 H216399 0.618 2.670 -3.161 + 3364TIP3 OH216400 0.129 2.636 -2.784 + 3364TIP3 H116401 0.077 2.702 -2.736 + 3364TIP3 H216402 0.065 2.608 -2.853 + 3365TIP3 OH216403 0.734 2.189 -4.057 + 3365TIP3 H116404 0.777 2.214 -3.972 + 3365TIP3 H216405 0.795 2.231 -4.121 + 3366TIP3 OH216406 -0.194 2.291 -2.891 + 3366TIP3 H116407 -0.171 2.329 -2.805 + 3366TIP3 H216408 -0.284 2.257 -2.874 + 3367TIP3 OH216409 0.466 2.847 -3.694 + 3367TIP3 H116410 0.518 2.874 -3.618 + 3367TIP3 H216411 0.421 2.929 -3.720 + 3368TIP3 OH216412 -0.060 2.851 -2.702 + 3368TIP3 H116413 -0.072 2.855 -2.799 + 3368TIP3 H216414 -0.148 2.824 -2.670 + 3369TIP3 OH216415 1.061 1.345 -4.057 + 3369TIP3 H116416 0.973 1.373 -4.024 + 3369TIP3 H216417 1.087 1.420 -4.113 + 3370TIP3 OH216418 -0.122 2.192 -3.859 + 3370TIP3 H116419 -0.142 2.266 -3.919 + 3370TIP3 H216420 -0.185 2.125 -3.885 + 3371TIP3 OH216421 1.180 2.786 -4.249 + 3371TIP3 H116422 1.212 2.867 -4.207 + 3371TIP3 H216423 1.256 2.725 -4.242 + 3372TIP3 OH216424 -0.513 2.461 -2.991 + 3372TIP3 H116425 -0.563 2.461 -3.075 + 3372TIP3 H216426 -0.505 2.366 -2.971 + 3373TIP3 OH216427 -0.508 2.753 -3.298 + 3373TIP3 H116428 -0.415 2.727 -3.288 + 3373TIP3 H216429 -0.519 2.815 -3.224 + 3374TIP3 OH216430 1.329 2.815 -2.720 + 3374TIP3 H116431 1.318 2.719 -2.737 + 3374TIP3 H216432 1.238 2.838 -2.690 + 3375TIP3 OH216433 0.395 2.737 -2.839 + 3375TIP3 H116434 0.401 2.820 -2.787 + 3375TIP3 H216435 0.304 2.708 -2.818 + 3376TIP3 OH216436 0.425 3.116 -3.848 + 3376TIP3 H116437 0.426 3.130 -3.944 + 3376TIP3 H216438 0.427 3.207 -3.813 + 3377TIP3 OH216439 -0.198 3.026 -3.684 + 3377TIP3 H116440 -0.180 2.987 -3.596 + 3377TIP3 H216441 -0.290 2.999 -3.697 + 3378TIP3 OH216442 0.748 3.078 -4.140 + 3378TIP3 H116443 0.793 3.020 -4.204 + 3378TIP3 H216444 0.752 3.024 -4.059 + 3379TIP3 OH216445 0.696 3.004 -3.863 + 3379TIP3 H116446 0.603 3.024 -3.841 + 3379TIP3 H216447 0.718 2.939 -3.795 + 3380TIP3 OH216448 1.013 1.950 -2.681 + 3380TIP3 H116449 0.953 1.990 -2.745 + 3380TIP3 H216450 1.013 1.856 -2.707 + 3381TIP3 OH216451 -0.292 2.616 -2.867 + 3381TIP3 H116452 -0.266 2.569 -2.785 + 3381TIP3 H216453 -0.366 2.561 -2.899 + 3382TIP3 OH216454 0.024 1.466 -3.291 + 3382TIP3 H116455 -0.058 1.456 -3.342 + 3382TIP3 H216456 -0.004 1.533 -3.226 + 3383TIP3 OH216457 0.488 1.389 -2.900 + 3383TIP3 H116458 0.494 1.332 -2.822 + 3383TIP3 H216459 0.391 1.395 -2.910 + 3384TIP3 OH216460 0.775 1.799 -2.865 + 3384TIP3 H116461 0.713 1.783 -2.791 + 3384TIP3 H216462 0.766 1.894 -2.882 + 3385TIP3 OH216463 0.959 2.268 -4.251 + 3385TIP3 H116464 0.910 2.252 -4.333 + 3385TIP3 H216465 0.989 2.358 -4.267 + 3386TIP3 OH216466 0.444 1.658 -4.215 + 3386TIP3 H116467 0.387 1.662 -4.137 + 3386TIP3 H216468 0.398 1.592 -4.268 + 3387TIP3 OH216469 0.007 1.953 -3.659 + 3387TIP3 H116470 -0.088 1.943 -3.678 + 3387TIP3 H216471 0.045 1.932 -3.747 + 3388TIP3 OH216472 0.571 2.004 -3.786 + 3388TIP3 H116473 0.531 2.086 -3.820 + 3388TIP3 H216474 0.636 1.984 -3.856 + 3389TIP3 OH216475 0.649 1.944 -3.505 + 3389TIP3 H116476 0.622 2.002 -3.579 + 3389TIP3 H216477 0.672 1.863 -3.556 + 3390TIP3 OH216478 -0.268 1.962 -2.973 + 3390TIP3 H116479 -0.212 1.985 -2.898 + 3390TIP3 H216480 -0.288 1.869 -2.954 + 3391TIP3 OH216481 0.120 1.703 -4.311 + 3391TIP3 H116482 0.079 1.671 -4.229 + 3391TIP3 H216483 0.043 1.745 -4.355 + 3392TIP3 OH216484 -0.568 1.709 -3.596 + 3392TIP3 H116485 -0.502 1.700 -3.526 + 3392TIP3 H216486 -0.526 1.668 -3.674 + 3393TIP3 OH216487 -0.404 1.755 -4.027 + 3393TIP3 H116488 -0.356 1.792 -4.103 + 3393TIP3 H216489 -0.482 1.812 -4.020 + 3394TIP3 OH216490 0.547 2.102 -3.050 + 3394TIP3 H116491 0.599 2.036 -3.102 + 3394TIP3 H216492 0.531 2.054 -2.968 + 3395TIP3 OH216493 0.277 1.706 -3.559 + 3395TIP3 H116494 0.183 1.699 -3.536 + 3395TIP3 H216495 0.320 1.688 -3.474 + 3396TIP3 OH216496 -0.261 1.833 -3.691 + 3396TIP3 H116497 -0.343 1.856 -3.737 + 3396TIP3 H216498 -0.231 1.753 -3.739 + 3397TIP3 OH216499 0.099 1.877 -3.918 + 3397TIP3 H116500 0.196 1.873 -3.917 + 3397TIP3 H216501 0.078 1.927 -3.999 + 3398TIP3 OH216502 0.714 1.625 -3.245 + 3398TIP3 H116503 0.647 1.627 -3.173 + 3398TIP3 H216504 0.659 1.589 -3.317 + 3399TIP3 OH216505 -0.046 1.990 -4.161 + 3399TIP3 H116506 -0.105 1.934 -4.214 + 3399TIP3 H216507 0.031 2.000 -4.219 + 3400TIP3 OH216508 1.018 3.204 -2.589 + 3400TIP3 H116509 1.043 3.245 -2.673 + 3400TIP3 H216510 1.092 3.231 -2.531 + 3401TIP3 OH216511 -0.188 2.462 -2.646 + 3401TIP3 H116512 -0.121 2.470 -2.576 + 3401TIP3 H216513 -0.269 2.461 -2.591 + 3402TIP3 OH216514 0.378 1.964 -3.380 + 3402TIP3 H116515 0.455 1.920 -3.419 + 3402TIP3 H216516 0.363 1.912 -3.298 + 3403TIP3 OH216517 -0.083 1.605 -3.757 + 3403TIP3 H116518 -0.142 1.528 -3.749 + 3403TIP3 H216519 -0.004 1.565 -3.796 + 3404TIP3 OH216520 0.254 1.857 -3.125 + 3404TIP3 H116521 0.171 1.857 -3.078 + 3404TIP3 H216522 0.316 1.850 -3.050 + 3405TIP3 OH216523 0.293 2.450 -3.964 + 3405TIP3 H116524 0.216 2.399 -3.997 + 3405TIP3 H216525 0.274 2.455 -3.867 + 3406TIP3 OH216526 1.016 2.363 -3.087 + 3406TIP3 H116527 1.066 2.418 -3.152 + 3406TIP3 H216528 0.930 2.353 -3.133 + 3407TIP3 OH216529 0.710 1.722 -4.181 + 3407TIP3 H116530 0.612 1.722 -4.187 + 3407TIP3 H216531 0.730 1.801 -4.126 + 3408TIP3 OH216532 0.446 2.444 -2.834 + 3408TIP3 H116533 0.432 2.411 -2.744 + 3408TIP3 H216534 0.428 2.539 -2.826 + 3409TIP3 OH216535 0.770 1.910 -3.987 + 3409TIP3 H116536 0.857 1.892 -3.946 + 3409TIP3 H216537 0.785 1.996 -4.030 + 3410TIP3 OH216538 -0.180 2.380 -3.374 + 3410TIP3 H116539 -0.128 2.373 -3.455 + 3410TIP3 H216540 -0.174 2.290 -3.337 + 3411TIP3 OH216541 0.538 2.581 -4.068 + 3411TIP3 H116542 0.509 2.670 -4.039 + 3411TIP3 H216543 0.460 2.529 -4.043 + 3412TIP3 OH216544 -0.467 2.211 -2.852 + 3412TIP3 H116545 -0.450 2.167 -2.766 + 3412TIP3 H216546 -0.529 2.151 -2.895 + 3413TIP3 OH216547 0.231 2.175 -2.664 + 3413TIP3 H116548 0.202 2.113 -2.731 + 3413TIP3 H216549 0.316 2.135 -2.643 + 3414TIP3 OH216550 0.683 2.705 -2.881 + 3414TIP3 H116551 0.587 2.717 -2.887 + 3414TIP3 H216552 0.701 2.732 -2.790 + 3415TIP3 OH216553 1.241 1.920 -3.998 + 3415TIP3 H116554 1.181 1.898 -4.071 + 3415TIP3 H216555 1.253 2.015 -4.018 + 3416TIP3 OH216556 1.282 2.518 -2.724 + 3416TIP3 H116557 1.188 2.539 -2.743 + 3416TIP3 H216558 1.315 2.499 -2.814 + 3417TIP3 OH216559 1.064 2.774 -3.992 + 3417TIP3 H116560 1.036 2.698 -3.940 + 3417TIP3 H216561 1.097 2.734 -4.073 + 3418TIP3 OH216562 0.781 2.306 -3.256 + 3418TIP3 H116563 0.688 2.291 -3.281 + 3418TIP3 H216564 0.826 2.235 -3.306 + 3419TIP3 OH216565 0.044 2.714 -3.654 + 3419TIP3 H116566 0.089 2.799 -3.664 + 3419TIP3 H216567 -0.047 2.738 -3.675 + 3420TIP3 OH216568 -0.356 2.236 -4.209 + 3420TIP3 H116569 -0.291 2.267 -4.142 + 3420TIP3 H216570 -0.438 2.223 -4.157 + 3421TIP3 OH216571 0.228 2.482 -3.692 + 3421TIP3 H116572 0.204 2.575 -3.677 + 3421TIP3 H216573 0.154 2.437 -3.649 + 3422TIP3 OH216574 0.245 2.910 -3.055 + 3422TIP3 H116575 0.300 2.985 -3.083 + 3422TIP3 H216576 0.307 2.861 -2.999 + 3423TIP3 OH216577 0.090 3.004 -3.733 + 3423TIP3 H116578 -0.005 3.020 -3.724 + 3423TIP3 H216579 0.126 3.091 -3.707 + 3424TIP3 OH216580 0.586 2.484 -3.099 + 3424TIP3 H116581 0.558 2.458 -3.009 + 3424TIP3 H216582 0.662 2.425 -3.114 + 3425TIP3 OH216583 0.801 2.609 -4.194 + 3425TIP3 H116584 0.850 2.566 -4.121 + 3425TIP3 H216585 0.711 2.603 -4.158 + 3426TIP3 OH216586 0.879 2.943 -2.859 + 3426TIP3 H116587 0.804 2.897 -2.901 + 3426TIP3 H216588 0.890 3.021 -2.915 + 3427TIP3 OH216589 1.292 3.060 -4.160 + 3427TIP3 H116590 1.361 3.128 -4.144 + 3427TIP3 H216591 1.211 3.110 -4.134 + 3428TIP3 OH216592 -0.335 1.679 -2.892 + 3428TIP3 H116593 -0.426 1.705 -2.917 + 3428TIP3 H216594 -0.349 1.593 -2.850 + 3429TIP3 OH216595 0.900 2.473 -3.968 + 3429TIP3 H116596 0.874 2.403 -3.906 + 3429TIP3 H216597 0.997 2.471 -3.960 + 3430TIP3 OH216598 -0.358 2.853 -3.051 + 3430TIP3 H116599 -0.328 2.763 -3.031 + 3430TIP3 H216600 -0.338 2.898 -2.967 + 3431TIP3 OH216601 0.249 2.716 -4.325 + 3431TIP3 H116602 0.289 2.633 -4.356 + 3431TIP3 H216603 0.194 2.684 -4.251 + 3432TIP3 OH216604 0.089 2.668 -4.068 + 3432TIP3 H116605 0.151 2.617 -4.014 + 3432TIP3 H216606 0.116 2.761 -4.050 + 3433TIP3 OH216607 -0.210 2.412 -4.038 + 3433TIP3 H116608 -0.275 2.461 -3.984 + 3433TIP3 H216609 -0.152 2.486 -4.066 + 3434TIP3 OH216610 0.544 1.670 -3.036 + 3434TIP3 H116611 0.589 1.717 -2.965 + 3434TIP3 H216612 0.497 1.601 -2.987 + 3435TIP3 OH216613 0.621 1.618 -3.920 + 3435TIP3 H116614 0.651 1.667 -3.999 + 3435TIP3 H216615 0.673 1.659 -3.850 + 3436TIP3 OH216616 0.401 2.830 -4.030 + 3436TIP3 H116617 0.326 2.883 -4.000 + 3436TIP3 H216618 0.456 2.897 -4.072 + 3437TIP3 OH216619 0.364 1.809 -3.815 + 3437TIP3 H116620 0.444 1.865 -3.801 + 3437TIP3 H216621 0.336 1.791 -3.724 + 3438TIP3 OH216622 0.430 1.510 -3.724 + 3438TIP3 H116623 0.408 1.579 -3.658 + 3438TIP3 H216624 0.500 1.554 -3.776 + 3439TIP3 OH216625 0.116 2.951 -4.027 + 3439TIP3 H116626 0.128 3.036 -4.074 + 3439TIP3 H216627 0.109 2.979 -3.934 + 3440TIP3 OH216628 0.000 1.619 -4.080 + 3440TIP3 H116629 -0.006 1.687 -4.011 + 3440TIP3 H216630 0.074 1.564 -4.046 + 3441TIP3 OH216631 1.026 1.692 -2.816 + 3441TIP3 H116632 0.932 1.712 -2.828 + 3441TIP3 H216633 1.052 1.681 -2.908 + 3442TIP3 OH216634 0.882 2.082 -3.408 + 3442TIP3 H116635 0.800 2.036 -3.436 + 3442TIP3 H216636 0.930 2.010 -3.361 + 3443TIP3 OH216637 -0.195 2.681 -4.160 + 3443TIP3 H116638 -0.125 2.728 -4.112 + 3443TIP3 H216639 -0.143 2.647 -4.235 + 3444TIP3 OH216640 -0.330 1.928 -4.265 + 3444TIP3 H116641 -0.329 2.021 -4.239 + 3444TIP3 H216642 -0.422 1.914 -4.294 + 3445TIP3 OH216643 0.984 2.967 -3.269 + 3445TIP3 H116644 0.966 3.048 -3.321 + 3445TIP3 H216645 1.077 2.982 -3.245 + 3446TIP3 OH216646 -0.257 1.420 -3.371 + 3446TIP3 H116647 -0.274 1.417 -3.467 + 3446TIP3 H216648 -0.290 1.334 -3.340 + 3447TIP3 OH216649 -0.375 2.761 -3.751 + 3447TIP3 H116650 -0.444 2.820 -3.717 + 3447TIP3 H216651 -0.324 2.820 -3.808 + 3448TIP3 OH216652 -0.424 3.058 -2.630 + 3448TIP3 H116653 -0.368 3.031 -2.554 + 3448TIP3 H216654 -0.465 2.973 -2.656 + 3449TIP3 OH216655 0.041 2.958 -2.442 + 3449TIP3 H116656 0.115 2.896 -2.432 + 3449TIP3 H216657 0.018 2.942 -2.535 + 3450TIP3 OH216658 0.465 2.901 -4.334 + 3450TIP3 H116659 0.386 2.844 -4.324 + 3450TIP3 H216660 0.532 2.833 -4.352 + 3451TIP3 OH216661 0.689 2.793 -2.590 + 3451TIP3 H116662 0.653 2.709 -2.554 + 3451TIP3 H216663 0.761 2.812 -2.527 + 3452TIP3 OH216664 0.851 2.869 -4.291 + 3452TIP3 H116665 0.880 2.790 -4.241 + 3452TIP3 H216666 0.935 2.913 -4.316 + 3453TIP3 OH216667 -0.431 2.421 -2.515 + 3453TIP3 H116668 -0.420 2.331 -2.550 + 3453TIP3 H216669 -0.507 2.453 -2.568 + 3454TIP3 OH216670 -0.006 2.481 -4.303 + 3454TIP3 H116671 0.011 2.407 -4.243 + 3454TIP3 H216672 0.057 2.465 -4.375 + 3455TIP3 OH216673 0.236 2.453 -2.578 + 3455TIP3 H116674 0.205 2.481 -2.666 + 3455TIP3 H216675 0.251 2.358 -2.590 + 3456TIP3 OH216676 0.526 2.582 -4.347 + 3456TIP3 H116677 0.543 2.593 -4.252 + 3456TIP3 H216678 0.591 2.514 -4.372 + 3457TIP3 OH216679 0.769 2.402 -2.845 + 3457TIP3 H116680 0.850 2.453 -2.861 + 3457TIP3 H216681 0.702 2.472 -2.844 + 3458TIP3 OH216682 -0.339 2.133 -2.602 + 3458TIP3 H116683 -0.273 2.063 -2.602 + 3458TIP3 H216684 -0.343 2.155 -2.507 + 3459TIP3 OH216685 0.097 2.272 -4.089 + 3459TIP3 H116686 0.041 2.220 -4.030 + 3459TIP3 H216687 0.135 2.202 -4.146 + 3460TIP3 OH216688 0.014 2.068 -2.909 + 3460TIP3 H116689 -0.019 2.092 -2.821 + 3460TIP3 H216690 0.111 2.069 -2.895 + 3461TIP3 OH216691 0.218 2.088 -4.277 + 3461TIP3 H116692 0.222 2.055 -4.368 + 3461TIP3 H216693 0.313 2.082 -4.252 + 3462TIP3 OH216694 0.534 2.295 -2.521 + 3462TIP3 H116695 0.629 2.285 -2.539 + 3462TIP3 H216696 0.523 2.228 -2.451 + 3463TIP3 OH216697 0.096 1.612 -2.982 + 3463TIP3 H116698 0.153 1.680 -3.019 + 3463TIP3 H216699 0.009 1.624 -3.023 + 3464TIP3 OH216700 0.262 2.158 -2.991 + 3464TIP3 H116701 0.358 2.149 -3.003 + 3464TIP3 H216702 0.253 2.254 -2.980 + 3465TIP3 OH216703 0.717 1.969 -2.483 + 3465TIP3 H116704 0.732 1.874 -2.474 + 3465TIP3 H216705 0.805 2.006 -2.475 + 3466TIP3 OH216706 0.830 2.249 -2.622 + 3466TIP3 H116707 0.795 2.307 -2.691 + 3466TIP3 H216708 0.917 2.227 -2.660 + 3467TIP3 OH216709 -0.076 1.949 -2.599 + 3467TIP3 H116710 -0.130 1.870 -2.584 + 3467TIP3 H216711 0.009 1.911 -2.626 + 3468TIP3 OH216712 0.203 1.371 -2.964 + 3468TIP3 H116713 0.169 1.464 -2.963 + 3468TIP3 H216714 0.131 1.328 -3.013 + 3469TIP3 OH216715 0.585 1.709 -2.668 + 3469TIP3 H116716 0.495 1.746 -2.676 + 3469TIP3 H216717 0.573 1.645 -2.597 + 3470TIP3 OH216718 0.758 1.470 -2.506 + 3470TIP3 H116719 0.713 1.434 -2.429 + 3470TIP3 H216720 0.752 1.565 -2.486 + 3471TIP3 OH216721 -0.228 1.706 -2.580 + 3471TIP3 H116722 -0.241 1.634 -2.645 + 3471TIP3 H216723 -0.252 1.661 -2.497 + 3472TIP3 OH216724 0.168 1.303 -2.681 + 3472TIP3 H116725 0.235 1.233 -2.675 + 3472TIP3 H216726 0.172 1.324 -2.776 + 3473TIP3 OH216727 0.266 1.488 -2.495 + 3473TIP3 H116728 0.229 1.434 -2.568 + 3473TIP3 H216729 0.216 1.570 -2.502 + 3474TIP3 OH216730 0.178 3.193 -4.175 + 3474TIP3 H116731 0.272 3.213 -4.159 + 3474TIP3 H216732 0.153 3.259 -4.241 + 3475TIP3 OH216733 -0.530 3.151 -3.724 + 3475TIP3 H116734 -0.606 3.120 -3.776 + 3475TIP3 H216735 -0.530 3.087 -3.649 + 3476TIP3 OH216736 -0.495 2.954 -3.522 + 3476TIP3 H116737 -0.529 2.870 -3.486 + 3476TIP3 H216738 -0.465 2.994 -3.439 + 3477TIP3 OH216739 1.256 3.082 -3.219 + 3477TIP3 H116740 1.272 3.083 -3.123 + 3477TIP3 H216741 1.340 3.115 -3.253 + 3478TIP3 OH216742 1.245 3.029 -2.931 + 3478TIP3 H116743 1.194 2.955 -2.968 + 3478TIP3 H216744 1.301 2.982 -2.867 + 3479TIP3 OH216745 1.043 2.575 -2.506 + 3479TIP3 H116746 0.958 2.579 -2.459 + 3479TIP3 H216747 1.091 2.652 -2.470 + 3480TIP3 OH216748 1.185 2.456 -3.930 + 3480TIP3 H116749 1.275 2.491 -3.916 + 3480TIP3 H216750 1.181 2.392 -3.856 + 3481TIP3 OH216751 1.231 2.256 -3.732 + 3481TIP3 H116752 1.164 2.200 -3.688 + 3481TIP3 H216753 1.299 2.269 -3.663 + 3482TIP3 OH216754 1.204 2.508 -3.234 + 3482TIP3 H116755 1.266 2.459 -3.290 + 3482TIP3 H216756 1.217 2.599 -3.264 + 3483TIP3 OH216757 1.076 2.800 -3.010 + 3483TIP3 H116758 1.002 2.840 -2.960 + 3483TIP3 H216759 1.030 2.764 -3.088 + 3484TIP3 OH216760 1.260 2.224 -4.109 + 3484TIP3 H116761 1.196 2.251 -4.176 + 3484TIP3 H216762 1.241 2.290 -4.040 + 3485TIP3 OH216763 1.080 1.961 -4.216 + 3485TIP3 H116764 1.108 2.035 -4.271 + 3485TIP3 H216765 1.120 1.886 -4.260 + 3486TIP3 OH216766 1.024 2.071 -3.650 + 3486TIP3 H116767 1.016 1.976 -3.667 + 3486TIP3 H216768 0.986 2.080 -3.560 + 3487TIP3 OH216769 -0.483 2.285 -3.280 + 3487TIP3 H116770 -0.465 2.294 -3.375 + 3487TIP3 H216771 -0.394 2.283 -3.245 + 3488TIP3 OH216772 1.087 2.263 -2.745 + 3488TIP3 H116773 1.158 2.202 -2.718 + 3488TIP3 H216774 1.133 2.347 -2.752 + 3489TIP3 OH216775 1.242 2.078 -2.618 + 3489TIP3 H116776 1.163 2.024 -2.636 + 3489TIP3 H216777 1.312 2.010 -2.617 + 3490TIP3 OH216778 1.002 1.650 -4.333 + 3490TIP3 H116779 1.054 1.620 -4.258 + 3490TIP3 H216780 0.913 1.615 -4.316 + 3491TIP3 OH216781 1.004 1.825 -3.836 + 3491TIP3 H116782 1.031 1.730 -3.829 + 3491TIP3 H216783 1.086 1.863 -3.873 + 3492TIP3 OH216784 1.035 1.882 -3.289 + 3492TIP3 H116785 1.132 1.892 -3.291 + 3492TIP3 H216786 1.021 1.886 -3.192 + 3493TIP3 OH216787 1.048 1.951 -3.009 + 3493TIP3 H116788 0.965 1.990 -2.977 + 3493TIP3 H216789 1.102 2.030 -3.026 + 3494TIP3 OH216790 -0.501 1.828 -2.641 + 3494TIP3 H116791 -0.407 1.804 -2.637 + 3494TIP3 H216792 -0.543 1.740 -2.632 + 3495TIP3 OH216793 1.293 1.358 -2.483 + 3495TIP3 H116794 1.338 1.293 -2.540 + 3495TIP3 H216795 1.291 1.438 -2.539 + 3496TIP3 OH216796 1.055 1.552 -3.826 + 3496TIP3 H116797 1.072 1.512 -3.739 + 3496TIP3 H216798 0.980 1.498 -3.859 + 3497TIP3 OH216799 -0.406 1.674 -3.356 + 3497TIP3 H116800 -0.369 1.585 -3.350 + 3497TIP3 H216801 -0.340 1.726 -3.308 + 3498TIP3 OH216802 -0.570 1.929 -3.255 + 3498TIP3 H116803 -0.512 1.922 -3.332 + 3498TIP3 H216804 -0.535 2.009 -3.212 + 3499TIP3 OH216805 1.251 1.580 -2.652 + 3499TIP3 H116806 1.161 1.614 -2.639 + 3499TIP3 H216807 1.236 1.518 -2.726 + 3500TIP3 OH216808 1.267 1.603 -4.162 + 3500TIP3 H116809 1.263 1.523 -4.218 + 3500TIP3 H216810 1.357 1.634 -4.178 + 3501TIP3 OH216811 -0.523 1.574 -3.841 + 3501TIP3 H116812 -0.614 1.564 -3.874 + 3501TIP3 H216813 -0.479 1.619 -3.916 + 3502TIP3 OH216814 0.943 3.082 -3.640 + 3502TIP3 H116815 0.993 3.062 -3.721 + 3502TIP3 H216816 1.008 3.129 -3.587 + 3503TIP3 OH216817 -0.513 1.454 -3.033 + 3503TIP3 H116818 -0.584 1.422 -2.975 + 3503TIP3 H216819 -0.564 1.502 -3.101 + 3504TIP3 OH216820 -0.316 2.757 -2.566 + 3504TIP3 H116821 -0.388 2.759 -2.631 + 3504TIP3 H216822 -0.363 2.759 -2.482 + 3505TIP3 OH216823 -0.032 2.857 -3.000 + 3505TIP3 H116824 -0.063 2.942 -3.035 + 3505TIP3 H216825 0.064 2.867 -3.018 + 3506TIP3 OH216826 0.419 2.989 -2.697 + 3506TIP3 H116827 0.435 2.971 -2.604 + 3506TIP3 H216828 0.502 3.034 -2.724 + 3507TIP3 OH216829 0.648 3.134 -2.772 + 3507TIP3 H116830 0.718 3.071 -2.796 + 3507TIP3 H216831 0.679 3.165 -2.686 + 3508TIP3 OH216832 1.093 1.366 -2.811 + 3508TIP3 H116833 1.048 1.416 -2.881 + 3508TIP3 H216834 1.139 1.297 -2.862 + 3509TIP3 OH216835 -0.295 3.153 -2.966 + 3509TIP3 H116836 -0.353 3.217 -3.011 + 3509TIP3 H216837 -0.329 3.159 -2.876 + 3510TIP3 OH216838 -0.045 3.130 -3.112 + 3510TIP3 H116839 -0.130 3.151 -3.068 + 3510TIP3 H216840 -0.040 3.201 -3.179 + 3511TIP3 OH216841 0.429 3.131 -3.155 + 3511TIP3 H116842 0.394 3.176 -3.234 + 3511TIP3 H216843 0.439 3.206 -3.094 + 3512TIP3 OH216844 0.663 3.003 -3.062 + 3512TIP3 H116845 0.578 3.039 -3.096 + 3512TIP3 H216846 0.720 3.081 -3.066 + 3513TIP3 OH216847 0.917 3.176 -3.045 + 3513TIP3 H116848 0.912 3.271 -3.066 + 3513TIP3 H216849 0.945 3.140 -3.131 + 3514TIP3 OH216850 -0.336 3.033 -3.273 + 3514TIP3 H116851 -0.339 2.986 -3.187 + 3514TIP3 H216852 -0.259 2.991 -3.314 + 3515TIP3 OH216853 -0.134 2.908 -3.429 + 3515TIP3 H116854 -0.148 2.816 -3.399 + 3515TIP3 H216855 -0.043 2.925 -3.397 + 3516TIP3 OH216856 0.140 2.954 -3.339 + 3516TIP3 H116857 0.161 2.862 -3.360 + 3516TIP3 H216858 0.148 2.954 -3.243 + 3517TIP3 OH216859 0.472 1.546 -3.408 + 3517TIP3 H116860 0.405 1.476 -3.396 + 3517TIP3 H216861 0.535 1.502 -3.468 + 3518TIP3 OH216862 0.969 1.349 -3.362 + 3518TIP3 H116863 1.046 1.390 -3.405 + 3518TIP3 H216864 0.895 1.375 -3.419 + 3519TIP3 OH216865 1.176 1.457 -3.576 + 3519TIP3 H116866 1.247 1.413 -3.626 + 3519TIP3 H216867 1.210 1.549 -3.569 + 3520TIP3 OH216868 -0.290 1.416 -3.651 + 3520TIP3 H116869 -0.376 1.405 -3.697 + 3520TIP3 H216870 -0.248 1.330 -3.670 + 3521TIP3 OH216871 -0.403 1.367 -4.079 + 3521TIP3 H116872 -0.349 1.433 -4.129 + 3521TIP3 H216873 -0.451 1.426 -4.019 + 3522TIP3 OH216874 0.157 1.399 -3.665 + 3522TIP3 H116875 0.249 1.428 -3.679 + 3522TIP3 H216876 0.155 1.388 -3.570 + 3523TIP3 OH216877 0.718 1.403 -3.522 + 3523TIP3 H116878 0.742 1.389 -3.615 + 3523TIP3 H216879 0.678 1.317 -3.499 + 3524TIP3 OH216880 0.823 1.410 -3.915 + 3524TIP3 H116881 0.743 1.456 -3.946 + 3524TIP3 H216882 0.793 1.317 -3.922 + 3525TIP3 OH216883 -0.404 2.960 -3.970 + 3525TIP3 H116884 -0.479 2.963 -4.032 + 3525TIP3 H216885 -0.402 3.052 -3.939 + 3526TIP3 OH216886 -0.242 1.542 -4.218 + 3526TIP3 H116887 -0.194 1.492 -4.286 + 3526TIP3 H216888 -0.169 1.587 -4.172 + 3527TIP3 OH216889 0.269 1.562 -3.959 + 3527TIP3 H116890 0.308 1.508 -3.889 + 3527TIP3 H216891 0.294 1.651 -3.927 + 3528TIP3 OH216892 0.474 3.123 -4.144 + 3528TIP3 H116893 0.571 3.138 -4.149 + 3528TIP3 H216894 0.463 3.064 -4.221 + 3529TIP3 OH216895 1.138 3.044 -3.885 + 3529TIP3 H116896 1.106 2.961 -3.927 + 3529TIP3 H216897 1.113 3.111 -3.952 + 3530TIP3 OH216898 -0.312 1.440 -2.699 + 3530TIP3 H116899 -0.350 1.357 -2.665 + 3530TIP3 H216900 -0.218 1.426 -2.675 + 3531TIP3 OH216901 -0.073 1.376 -2.529 + 3531TIP3 H116902 0.010 1.340 -2.568 + 3531TIP3 H216903 -0.107 1.296 -2.485 + 3532TIP3 OH216904 -0.211 3.062 -4.233 + 3532TIP3 H116905 -0.244 3.097 -4.149 + 3532TIP3 H216906 -0.133 3.012 -4.207 + 3533TIP3 OH216907 1.077 2.924 -2.641 + 3533TIP3 H116908 1.004 2.902 -2.701 + 3533TIP3 H216909 1.058 3.017 -2.621 + 3534TIP3 OH216910 2.499 2.290 -3.628 + 3534TIP3 H116911 2.498 2.386 -3.616 + 3534TIP3 H216912 2.421 2.276 -3.683 + 3535TIP3 OH216913 2.381 2.235 -3.320 + 3535TIP3 H116914 2.381 2.180 -3.241 + 3535TIP3 H216915 2.355 2.170 -3.388 + 3536TIP3 OH216916 1.630 2.193 -3.154 + 3536TIP3 H116917 1.628 2.118 -3.091 + 3536TIP3 H216918 1.699 2.248 -3.113 + 3537TIP3 OH216919 2.749 2.508 -3.488 + 3537TIP3 H116920 2.712 2.437 -3.433 + 3537TIP3 H216921 2.779 2.570 -3.421 + 3538TIP3 OH216922 1.695 2.658 -3.304 + 3538TIP3 H116923 1.671 2.566 -3.328 + 3538TIP3 H216924 1.788 2.644 -3.279 + 3539TIP3 OH216925 1.395 1.998 -3.762 + 3539TIP3 H116926 1.352 2.085 -3.753 + 3539TIP3 H216927 1.327 1.947 -3.807 + 3540TIP3 OH216928 1.475 2.243 -3.578 + 3540TIP3 H116929 1.488 2.159 -3.529 + 3540TIP3 H216930 1.560 2.253 -3.623 + 3541TIP3 OH216931 2.455 3.044 -3.432 + 3541TIP3 H116932 2.513 2.973 -3.464 + 3541TIP3 H216933 2.428 3.011 -3.345 + 3542TIP3 OH216934 2.231 2.485 -3.264 + 3542TIP3 H116935 2.264 2.412 -3.320 + 3542TIP3 H216936 2.311 2.501 -3.212 + 3543TIP3 OH216937 3.098 1.637 -3.200 + 3543TIP3 H116938 3.122 1.699 -3.128 + 3543TIP3 H216939 3.158 1.666 -3.270 + 3544TIP3 OH216940 2.561 1.918 -3.213 + 3544TIP3 H116941 2.574 1.822 -3.207 + 3544TIP3 H216942 2.552 1.931 -3.308 + 3545TIP3 OH216943 1.857 1.719 -3.504 + 3545TIP3 H116944 1.871 1.805 -3.550 + 3545TIP3 H216945 1.822 1.667 -3.579 + 3546TIP3 OH216946 2.641 1.736 -3.673 + 3546TIP3 H116947 2.699 1.692 -3.608 + 3546TIP3 H216948 2.706 1.779 -3.730 + 3547TIP3 OH216949 1.527 1.994 -3.454 + 3547TIP3 H116950 1.589 1.946 -3.397 + 3547TIP3 H216951 1.534 1.944 -3.537 + 3548TIP3 OH216952 2.065 2.132 -3.509 + 3548TIP3 H116953 2.135 2.077 -3.470 + 3548TIP3 H216954 2.014 2.065 -3.558 + 3549TIP3 OH216955 3.171 1.775 -2.951 + 3549TIP3 H116956 3.111 1.846 -2.980 + 3549TIP3 H216957 3.148 1.770 -2.857 + 3550TIP3 OH216958 1.737 1.598 -3.089 + 3550TIP3 H116959 1.697 1.649 -3.161 + 3550TIP3 H216960 1.672 1.613 -3.017 + 3551TIP3 OH216961 2.486 2.574 -3.749 + 3551TIP3 H116962 2.455 2.554 -3.838 + 3551TIP3 H216963 2.443 2.659 -3.731 + 3552TIP3 OH216964 2.031 2.387 -3.076 + 3552TIP3 H116965 1.957 2.446 -3.050 + 3552TIP3 H216966 2.093 2.449 -3.119 + 3553TIP3 OH216967 2.826 1.661 -3.470 + 3553TIP3 H116968 2.786 1.601 -3.406 + 3553TIP3 H216969 2.877 1.721 -3.413 + 3554TIP3 OH216970 1.697 1.803 -3.294 + 3554TIP3 H116971 1.762 1.861 -3.248 + 3554TIP3 H216972 1.755 1.766 -3.365 + 3555TIP3 OH216973 1.829 2.574 -3.005 + 3555TIP3 H116974 1.826 2.667 -3.033 + 3555TIP3 H216975 1.743 2.567 -2.960 + 3556TIP3 OH216976 1.463 2.543 -3.918 + 3556TIP3 H116977 1.441 2.586 -4.003 + 3556TIP3 H216978 1.477 2.618 -3.857 + 3557TIP3 OH216979 2.806 2.690 -3.239 + 3557TIP3 H116980 2.709 2.703 -3.237 + 3557TIP3 H216981 2.835 2.775 -3.275 + 3558TIP3 OH216982 2.839 1.579 -3.084 + 3558TIP3 H116983 2.761 1.615 -3.131 + 3558TIP3 H216984 2.911 1.595 -3.148 + 3559TIP3 OH216985 2.152 1.348 -3.380 + 3559TIP3 H116986 2.129 1.253 -3.385 + 3559TIP3 H216987 2.069 1.386 -3.343 + 3560TIP3 OH216988 2.635 2.883 -3.584 + 3560TIP3 H116989 2.683 2.804 -3.614 + 3560TIP3 H216990 2.704 2.952 -3.590 + 3561TIP3 OH216991 2.780 2.671 -3.720 + 3561TIP3 H116992 2.731 2.623 -3.788 + 3561TIP3 H216993 2.776 2.607 -3.646 + 3562TIP3 OH216994 2.936 2.552 -2.870 + 3562TIP3 H116995 2.925 2.488 -2.943 + 3562TIP3 H216996 2.947 2.636 -2.919 + 3563TIP3 OH216997 2.361 2.237 -3.907 + 3563TIP3 H116998 2.300 2.307 -3.937 + 3563TIP3 H216999 2.434 2.244 -3.971 + 3564TIP3 OH217000 3.111 2.169 -3.076 + 3564TIP3 H117001 3.039 2.235 -3.069 + 3564TIP3 H217002 3.159 2.204 -3.154 + 3565TIP3 OH217003 2.708 2.236 -3.801 + 3565TIP3 H117004 2.642 2.258 -3.732 + 3565TIP3 H217005 2.771 2.184 -3.749 + 3566TIP3 OH217006 2.696 2.096 -2.909 + 3566TIP3 H117007 2.702 2.180 -2.859 + 3566TIP3 H217008 2.632 2.124 -2.976 + 3567TIP3 OH217009 1.872 2.318 -3.617 + 3567TIP3 H117010 1.845 2.273 -3.700 + 3567TIP3 H217011 1.937 2.255 -3.581 + 3568TIP3 OH217012 2.010 2.661 -3.343 + 3568TIP3 H117013 1.998 2.619 -3.429 + 3568TIP3 H217014 2.088 2.614 -3.308 + 3569TIP3 OH217015 1.931 2.201 -3.268 + 3569TIP3 H117016 1.990 2.204 -3.345 + 3569TIP3 H217017 1.970 2.267 -3.208 + 3570TIP3 OH217018 2.525 2.752 -3.209 + 3570TIP3 H117019 2.528 2.819 -3.139 + 3570TIP3 H217020 2.503 2.670 -3.161 + 3571TIP3 OH217021 2.015 2.632 -2.783 + 3571TIP3 H117022 1.964 2.699 -2.734 + 3571TIP3 H217023 1.950 2.606 -2.852 + 3572TIP3 OH217024 2.601 2.197 -4.067 + 3572TIP3 H117025 2.647 2.210 -3.981 + 3572TIP3 H217026 2.668 2.228 -4.130 + 3573TIP3 OH217027 1.708 2.273 -2.872 + 3573TIP3 H117028 1.713 2.330 -2.793 + 3573TIP3 H217029 1.612 2.258 -2.879 + 3574TIP3 OH217030 2.352 2.847 -3.696 + 3574TIP3 H117031 2.404 2.872 -3.619 + 3574TIP3 H217032 2.306 2.929 -3.719 + 3575TIP3 OH217033 1.825 2.851 -2.701 + 3575TIP3 H117034 1.813 2.854 -2.798 + 3575TIP3 H217035 1.737 2.823 -2.669 + 3576TIP3 OH217036 2.965 1.353 -4.073 + 3576TIP3 H117037 2.868 1.359 -4.061 + 3576TIP3 H217038 2.986 1.443 -4.101 + 3577TIP3 OH217039 1.778 2.192 -3.875 + 3577TIP3 H117040 1.743 2.271 -3.921 + 3577TIP3 H217041 1.705 2.130 -3.885 + 3578TIP3 OH217042 3.070 2.787 -4.254 + 3578TIP3 H117043 3.099 2.867 -4.206 + 3578TIP3 H217044 3.144 2.725 -4.240 + 3579TIP3 OH217045 1.370 2.461 -2.990 + 3579TIP3 H117046 1.326 2.460 -3.077 + 3579TIP3 H217047 1.384 2.366 -2.973 + 3580TIP3 OH217048 1.376 2.754 -3.297 + 3580TIP3 H117049 1.468 2.725 -3.291 + 3580TIP3 H217050 1.370 2.814 -3.222 + 3581TIP3 OH217051 3.215 2.815 -2.718 + 3581TIP3 H117052 3.204 2.721 -2.739 + 3581TIP3 H217053 3.123 2.839 -2.691 + 3582TIP3 OH217054 2.279 2.737 -2.840 + 3582TIP3 H117055 2.287 2.820 -2.787 + 3582TIP3 H217056 2.189 2.708 -2.816 + 3583TIP3 OH217057 2.309 3.117 -3.848 + 3583TIP3 H117058 2.310 3.130 -3.944 + 3583TIP3 H217059 2.313 3.208 -3.814 + 3584TIP3 OH217060 1.688 3.030 -3.681 + 3584TIP3 H117061 1.705 2.987 -3.595 + 3584TIP3 H217062 1.601 2.994 -3.703 + 3585TIP3 OH217063 2.633 3.078 -4.140 + 3585TIP3 H117064 2.679 3.020 -4.204 + 3585TIP3 H217065 2.639 3.025 -4.058 + 3586TIP3 OH217066 2.582 3.006 -3.863 + 3586TIP3 H117067 2.489 3.023 -3.839 + 3586TIP3 H217068 2.606 2.940 -3.796 + 3587TIP3 OH217069 2.891 1.950 -2.677 + 3587TIP3 H117070 2.842 1.991 -2.750 + 3587TIP3 H217071 2.898 1.858 -2.708 + 3588TIP3 OH217072 1.590 2.616 -2.865 + 3588TIP3 H117073 1.617 2.569 -2.784 + 3588TIP3 H217074 1.516 2.561 -2.898 + 3589TIP3 OH217075 1.910 1.463 -3.289 + 3589TIP3 H117076 1.828 1.457 -3.341 + 3589TIP3 H217077 1.886 1.536 -3.229 + 3590TIP3 OH217078 2.346 1.422 -2.923 + 3590TIP3 H117079 2.399 1.367 -2.861 + 3590TIP3 H217080 2.256 1.386 -2.912 + 3591TIP3 OH217081 2.663 1.801 -2.871 + 3591TIP3 H117082 2.600 1.785 -2.798 + 3591TIP3 H217083 2.655 1.896 -2.888 + 3592TIP3 OH217084 2.834 2.270 -4.251 + 3592TIP3 H117085 2.803 2.252 -4.341 + 3592TIP3 H217086 2.875 2.356 -4.264 + 3593TIP3 OH217087 2.326 1.660 -4.219 + 3593TIP3 H117088 2.278 1.653 -4.136 + 3593TIP3 H217089 2.284 1.589 -4.270 + 3594TIP3 OH217090 1.895 1.941 -3.149 + 3594TIP3 H117091 1.839 1.953 -3.070 + 3594TIP3 H217092 1.902 2.033 -3.184 + 3595TIP3 OH217093 1.887 1.952 -3.661 + 3595TIP3 H117094 1.791 1.936 -3.676 + 3595TIP3 H217095 1.922 1.928 -3.749 + 3596TIP3 OH217096 2.457 2.003 -3.785 + 3596TIP3 H117097 2.416 2.085 -3.819 + 3596TIP3 H217098 2.522 1.983 -3.855 + 3597TIP3 OH217099 2.369 2.027 -2.645 + 3597TIP3 H117100 2.318 1.950 -2.611 + 3597TIP3 H217101 2.457 2.011 -2.606 + 3598TIP3 OH217102 2.536 1.944 -3.505 + 3598TIP3 H117103 2.508 2.001 -3.579 + 3598TIP3 H217104 2.557 1.863 -3.555 + 3599TIP3 OH217105 1.628 1.958 -2.964 + 3599TIP3 H117106 1.658 1.989 -2.877 + 3599TIP3 H217107 1.595 1.869 -2.943 + 3600TIP3 OH217108 2.008 1.735 -4.298 + 3600TIP3 H117109 1.975 1.675 -4.228 + 3600TIP3 H217110 1.926 1.752 -4.348 + 3601TIP3 OH217111 1.315 1.707 -3.600 + 3601TIP3 H117112 1.377 1.700 -3.526 + 3601TIP3 H217113 1.362 1.666 -3.674 + 3602TIP3 OH217114 1.480 1.753 -4.032 + 3602TIP3 H117115 1.528 1.799 -4.103 + 3602TIP3 H217116 1.404 1.812 -4.018 + 3603TIP3 OH217117 2.446 2.113 -3.059 + 3603TIP3 H117118 2.490 2.041 -3.109 + 3603TIP3 H217119 2.412 2.065 -2.982 + 3604TIP3 OH217120 2.167 1.709 -3.557 + 3604TIP3 H117121 2.072 1.702 -3.535 + 3604TIP3 H217122 2.209 1.688 -3.472 + 3605TIP3 OH217123 1.626 1.832 -3.692 + 3605TIP3 H117124 1.541 1.856 -3.735 + 3605TIP3 H217125 1.652 1.751 -3.740 + 3606TIP3 OH217126 1.982 1.867 -3.927 + 3606TIP3 H117127 2.078 1.872 -3.912 + 3606TIP3 H217128 1.963 1.939 -3.988 + 3607TIP3 OH217129 2.605 1.622 -3.255 + 3607TIP3 H117130 2.541 1.623 -3.181 + 3607TIP3 H217131 2.548 1.588 -3.326 + 3608TIP3 OH217132 1.860 1.995 -4.180 + 3608TIP3 H117133 1.780 1.945 -4.206 + 3608TIP3 H217134 1.927 1.949 -4.231 + 3609TIP3 OH217135 2.905 3.201 -2.589 + 3609TIP3 H117136 2.928 3.245 -2.672 + 3609TIP3 H217137 2.977 3.230 -2.530 + 3610TIP3 OH217138 1.696 2.463 -2.646 + 3610TIP3 H117139 1.763 2.470 -2.576 + 3610TIP3 H217140 1.615 2.459 -2.591 + 3611TIP3 OH217141 2.268 1.963 -3.375 + 3611TIP3 H117142 2.341 1.920 -3.421 + 3611TIP3 H217143 2.252 1.902 -3.300 + 3612TIP3 OH217144 1.801 1.604 -3.762 + 3612TIP3 H117145 1.743 1.527 -3.748 + 3612TIP3 H217146 1.882 1.563 -3.794 + 3613TIP3 OH217147 2.165 1.809 -3.151 + 3613TIP3 H117148 2.088 1.867 -3.149 + 3613TIP3 H217149 2.214 1.834 -3.069 + 3614TIP3 OH217150 2.180 2.446 -3.960 + 3614TIP3 H117151 2.106 2.391 -3.993 + 3614TIP3 H217152 2.161 2.453 -3.864 + 3615TIP3 OH217153 2.902 2.363 -3.087 + 3615TIP3 H117154 2.952 2.418 -3.151 + 3615TIP3 H217155 2.816 2.353 -3.133 + 3616TIP3 OH217156 2.601 1.721 -4.178 + 3616TIP3 H117157 2.505 1.719 -4.191 + 3616TIP3 H217158 2.617 1.802 -4.126 + 3617TIP3 OH217159 2.343 2.448 -2.828 + 3617TIP3 H117160 2.312 2.417 -2.742 + 3617TIP3 H217161 2.313 2.540 -2.828 + 3618TIP3 OH217162 2.655 1.910 -3.983 + 3618TIP3 H117163 2.744 1.893 -3.945 + 3618TIP3 H217164 2.668 1.991 -4.035 + 3619TIP3 OH217165 1.693 2.386 -3.378 + 3619TIP3 H117166 1.749 2.375 -3.456 + 3619TIP3 H217167 1.703 2.300 -3.333 + 3620TIP3 OH217168 2.422 2.582 -4.070 + 3620TIP3 H117169 2.395 2.671 -4.038 + 3620TIP3 H217170 2.346 2.529 -4.041 + 3621TIP3 OH217171 1.421 2.213 -2.853 + 3621TIP3 H117172 1.434 2.171 -2.766 + 3621TIP3 H217173 1.356 2.154 -2.895 + 3622TIP3 OH217174 2.116 2.165 -2.654 + 3622TIP3 H117175 2.082 2.139 -2.741 + 3622TIP3 H217176 2.209 2.137 -2.663 + 3623TIP3 OH217177 2.569 2.706 -2.881 + 3623TIP3 H117178 2.473 2.716 -2.887 + 3623TIP3 H217179 2.586 2.732 -2.789 + 3624TIP3 OH217180 3.128 1.919 -3.999 + 3624TIP3 H117181 3.065 1.900 -4.071 + 3624TIP3 H217182 3.139 2.015 -4.017 + 3625TIP3 OH217183 3.168 2.516 -2.724 + 3625TIP3 H117184 3.075 2.538 -2.743 + 3625TIP3 H217185 3.202 2.499 -2.814 + 3626TIP3 OH217186 2.941 2.766 -4.000 + 3626TIP3 H117187 2.924 2.691 -3.941 + 3626TIP3 H217188 2.988 2.725 -4.073 + 3627TIP3 OH217189 2.668 2.307 -3.256 + 3627TIP3 H117190 2.574 2.291 -3.280 + 3627TIP3 H217191 2.711 2.235 -3.306 + 3628TIP3 OH217192 1.931 2.714 -3.657 + 3628TIP3 H117193 1.972 2.801 -3.664 + 3628TIP3 H217194 1.838 2.735 -3.674 + 3629TIP3 OH217195 1.540 2.207 -4.200 + 3629TIP3 H117196 1.592 2.274 -4.151 + 3629TIP3 H217197 1.449 2.225 -4.170 + 3630TIP3 OH217198 2.112 2.484 -3.694 + 3630TIP3 H117199 2.084 2.575 -3.676 + 3630TIP3 H217200 2.044 2.433 -3.648 + 3631TIP3 OH217201 2.130 2.910 -3.055 + 3631TIP3 H117202 2.186 2.984 -3.083 + 3631TIP3 H217203 2.192 2.861 -2.998 + 3632TIP3 OH217204 1.975 3.005 -3.735 + 3632TIP3 H117205 1.879 3.019 -3.724 + 3632TIP3 H217206 2.010 3.092 -3.708 + 3633TIP3 OH217207 2.471 2.484 -3.099 + 3633TIP3 H117208 2.443 2.457 -3.009 + 3633TIP3 H217209 2.545 2.424 -3.115 + 3634TIP3 OH217210 2.684 2.608 -4.195 + 3634TIP3 H117211 2.737 2.569 -4.123 + 3634TIP3 H217212 2.596 2.601 -4.155 + 3635TIP3 OH217213 2.766 2.942 -2.859 + 3635TIP3 H117214 2.690 2.897 -2.901 + 3635TIP3 H217215 2.776 3.021 -2.914 + 3636TIP3 OH217216 3.172 3.061 -4.159 + 3636TIP3 H117217 3.244 3.125 -4.142 + 3636TIP3 H217218 3.094 3.116 -4.138 + 3637TIP3 OH217219 1.550 1.678 -2.891 + 3637TIP3 H117220 1.459 1.704 -2.915 + 3637TIP3 H217221 1.535 1.592 -2.848 + 3638TIP3 OH217222 2.784 2.473 -3.967 + 3638TIP3 H117223 2.757 2.398 -3.911 + 3638TIP3 H217224 2.881 2.470 -3.959 + 3639TIP3 OH217225 1.527 2.854 -3.050 + 3639TIP3 H117226 1.556 2.763 -3.033 + 3639TIP3 H217227 1.548 2.895 -2.966 + 3640TIP3 OH217228 2.135 2.717 -4.329 + 3640TIP3 H117229 2.176 2.632 -4.353 + 3640TIP3 H217230 2.087 2.692 -4.248 + 3641TIP3 OH217231 1.995 2.670 -4.080 + 3641TIP3 H117232 2.043 2.620 -4.012 + 3641TIP3 H217233 2.011 2.763 -4.051 + 3642TIP3 OH217234 1.684 2.412 -4.035 + 3642TIP3 H117235 1.605 2.448 -3.989 + 3642TIP3 H217236 1.724 2.494 -4.068 + 3643TIP3 OH217237 2.448 1.663 -3.036 + 3643TIP3 H117238 2.509 1.688 -2.966 + 3643TIP3 H217239 2.398 1.589 -2.995 + 3644TIP3 OH217240 2.504 1.622 -3.921 + 3644TIP3 H117241 2.540 1.666 -4.000 + 3644TIP3 H217242 2.559 1.658 -3.851 + 3645TIP3 OH217243 2.286 2.830 -4.032 + 3645TIP3 H117244 2.211 2.883 -4.000 + 3645TIP3 H217245 2.342 2.899 -4.071 + 3646TIP3 OH217246 2.245 1.814 -3.815 + 3646TIP3 H117247 2.328 1.865 -3.802 + 3646TIP3 H217248 2.222 1.791 -3.723 + 3647TIP3 OH217249 2.289 1.897 -2.900 + 3647TIP3 H117250 2.293 1.949 -2.818 + 3647TIP3 H217251 2.342 1.820 -2.876 + 3648TIP3 OH217252 2.315 1.511 -3.724 + 3648TIP3 H117253 2.296 1.579 -3.657 + 3648TIP3 H217254 2.386 1.554 -3.775 + 3649TIP3 OH217255 2.005 2.949 -4.026 + 3649TIP3 H117256 2.012 3.034 -4.073 + 3649TIP3 H217257 1.994 2.977 -3.933 + 3650TIP3 OH217258 1.884 1.615 -4.082 + 3650TIP3 H117259 1.882 1.684 -4.014 + 3650TIP3 H217260 1.958 1.560 -4.049 + 3651TIP3 OH217261 2.916 1.699 -2.810 + 3651TIP3 H117262 2.820 1.712 -2.826 + 3651TIP3 H217263 2.942 1.675 -2.900 + 3652TIP3 OH217264 2.767 2.082 -3.408 + 3652TIP3 H117265 2.685 2.037 -3.435 + 3652TIP3 H217266 2.816 2.010 -3.362 + 3653TIP3 OH217267 1.717 2.705 -4.154 + 3653TIP3 H117268 1.800 2.736 -4.114 + 3653TIP3 H217269 1.750 2.662 -4.235 + 3654TIP3 OH217270 1.550 1.928 -4.251 + 3654TIP3 H117271 1.555 2.024 -4.235 + 3654TIP3 H217272 1.462 1.920 -4.290 + 3655TIP3 OH217273 2.873 2.970 -3.267 + 3655TIP3 H117274 2.856 3.050 -3.319 + 3655TIP3 H217275 2.967 2.981 -3.248 + 3656TIP3 OH217276 1.629 1.419 -3.371 + 3656TIP3 H117277 1.613 1.416 -3.467 + 3656TIP3 H217278 1.597 1.332 -3.341 + 3657TIP3 OH217279 1.517 2.769 -3.748 + 3657TIP3 H117280 1.440 2.822 -3.723 + 3657TIP3 H217281 1.557 2.822 -3.818 + 3658TIP3 OH217282 1.460 3.059 -2.628 + 3658TIP3 H117283 1.518 3.030 -2.555 + 3658TIP3 H217284 1.421 2.973 -2.657 + 3659TIP3 OH217285 1.928 2.966 -2.450 + 3659TIP3 H117286 1.998 2.902 -2.428 + 3659TIP3 H217287 1.906 2.938 -2.541 + 3660TIP3 OH217288 2.351 2.902 -4.335 + 3660TIP3 H117289 2.271 2.846 -4.326 + 3660TIP3 H217290 2.418 2.834 -4.352 + 3661TIP3 OH217291 2.577 2.792 -2.593 + 3661TIP3 H117292 2.538 2.711 -2.555 + 3661TIP3 H217293 2.646 2.814 -2.527 + 3662TIP3 OH217294 2.741 2.870 -4.289 + 3662TIP3 H117295 2.766 2.792 -4.239 + 3662TIP3 H217296 2.827 2.910 -4.314 + 3663TIP3 OH217297 1.454 2.422 -2.517 + 3663TIP3 H117298 1.462 2.330 -2.547 + 3663TIP3 H217299 1.377 2.452 -2.568 + 3664TIP3 OH217300 1.885 2.434 -4.320 + 3664TIP3 H117301 1.918 2.418 -4.231 + 3664TIP3 H217302 1.961 2.470 -4.368 + 3665TIP3 OH217303 2.120 2.441 -2.583 + 3665TIP3 H117304 2.088 2.474 -2.668 + 3665TIP3 H217305 2.125 2.344 -2.598 + 3666TIP3 OH217306 2.410 2.580 -4.347 + 3666TIP3 H117307 2.428 2.597 -4.253 + 3666TIP3 H217308 2.481 2.519 -4.372 + 3667TIP3 OH217309 2.656 2.402 -2.843 + 3667TIP3 H117310 2.734 2.456 -2.863 + 3667TIP3 H217311 2.586 2.470 -2.845 + 3668TIP3 OH217312 1.542 2.137 -2.599 + 3668TIP3 H117313 1.613 2.071 -2.598 + 3668TIP3 H217314 1.536 2.158 -2.504 + 3669TIP3 OH217315 1.995 2.256 -4.090 + 3669TIP3 H117316 1.928 2.236 -4.024 + 3669TIP3 H217317 1.976 2.185 -4.154 + 3670TIP3 OH217318 1.906 2.047 -2.858 + 3670TIP3 H117319 1.854 2.126 -2.835 + 3670TIP3 H217320 1.972 2.085 -2.918 + 3671TIP3 OH217321 2.438 2.320 -2.499 + 3671TIP3 H117322 2.528 2.301 -2.532 + 3671TIP3 H217323 2.411 2.234 -2.463 + 3672TIP3 OH217324 1.968 1.780 -2.742 + 3672TIP3 H117325 1.973 1.712 -2.813 + 3672TIP3 H217326 1.945 1.859 -2.793 + 3673TIP3 OH217327 2.000 1.625 -2.997 + 3673TIP3 H117328 2.052 1.676 -3.061 + 3673TIP3 H217329 1.909 1.628 -3.033 + 3674TIP3 OH217330 2.155 2.169 -2.956 + 3674TIP3 H117331 2.238 2.161 -3.005 + 3674TIP3 H217332 2.124 2.257 -2.987 + 3675TIP3 OH217333 2.614 1.961 -2.470 + 3675TIP3 H117334 2.639 1.868 -2.478 + 3675TIP3 H217335 2.699 2.005 -2.486 + 3676TIP3 OH217336 2.709 2.241 -2.628 + 3676TIP3 H117337 2.675 2.303 -2.697 + 3676TIP3 H217338 2.799 2.227 -2.664 + 3677TIP3 OH217339 1.789 1.962 -2.562 + 3677TIP3 H117340 1.734 1.882 -2.561 + 3677TIP3 H217341 1.869 1.931 -2.607 + 3678TIP3 OH217342 2.072 1.358 -2.960 + 3678TIP3 H117343 2.054 1.453 -2.977 + 3678TIP3 H217344 2.003 1.315 -3.015 + 3679TIP3 OH217345 2.198 1.814 -2.582 + 3679TIP3 H117346 2.160 1.793 -2.494 + 3679TIP3 H217347 2.120 1.796 -2.638 + 3680TIP3 OH217348 2.454 1.721 -2.694 + 3680TIP3 H117349 2.364 1.724 -2.656 + 3680TIP3 H217350 2.498 1.655 -2.637 + 3681TIP3 OH217351 2.637 1.572 -2.515 + 3681TIP3 H117352 2.623 1.475 -2.507 + 3681TIP3 H217353 2.615 1.604 -2.427 + 3682TIP3 OH217354 1.656 1.708 -2.578 + 3682TIP3 H117355 1.645 1.637 -2.644 + 3682TIP3 H217356 1.631 1.661 -2.496 + 3683TIP3 OH217357 2.056 1.306 -2.679 + 3683TIP3 H117358 2.117 1.230 -2.675 + 3683TIP3 H217359 2.052 1.321 -2.775 + 3684TIP3 OH217360 2.151 1.494 -2.494 + 3684TIP3 H117361 2.121 1.434 -2.565 + 3684TIP3 H217362 2.081 1.561 -2.491 + 3685TIP3 OH217363 2.064 3.194 -4.174 + 3685TIP3 H117364 2.158 3.213 -4.160 + 3685TIP3 H217365 2.039 3.259 -4.242 + 3686TIP3 OH217366 1.449 2.599 -4.194 + 3686TIP3 H117367 1.537 2.641 -4.198 + 3686TIP3 H217368 1.443 2.552 -4.279 + 3687TIP3 OH217369 1.354 3.153 -3.723 + 3687TIP3 H117370 1.279 3.120 -3.776 + 3687TIP3 H217371 1.356 3.088 -3.650 + 3688TIP3 OH217372 1.388 2.957 -3.520 + 3688TIP3 H117373 1.358 2.871 -3.488 + 3688TIP3 H217374 1.421 2.994 -3.437 + 3689TIP3 OH217375 3.154 3.081 -3.224 + 3689TIP3 H117376 3.171 3.080 -3.129 + 3689TIP3 H217377 3.236 3.121 -3.258 + 3690TIP3 OH217378 3.130 3.030 -2.930 + 3690TIP3 H117379 3.081 2.956 -2.969 + 3690TIP3 H217380 3.187 2.982 -2.868 + 3691TIP3 OH217381 2.931 2.571 -2.501 + 3691TIP3 H117382 2.842 2.582 -2.462 + 3691TIP3 H217383 2.976 2.652 -2.472 + 3692TIP3 OH217384 3.071 2.456 -3.931 + 3692TIP3 H117385 3.161 2.493 -3.917 + 3692TIP3 H217386 3.068 2.393 -3.856 + 3693TIP3 OH217387 3.116 2.256 -3.732 + 3693TIP3 H117388 3.049 2.201 -3.687 + 3693TIP3 H217389 3.185 2.270 -3.664 + 3694TIP3 OH217390 3.089 2.508 -3.234 + 3694TIP3 H117391 3.151 2.460 -3.290 + 3694TIP3 H217392 3.103 2.599 -3.263 + 3695TIP3 OH217393 2.961 2.798 -3.008 + 3695TIP3 H117394 2.888 2.840 -2.959 + 3695TIP3 H217395 2.916 2.764 -3.088 + 3696TIP3 OH217396 3.145 2.223 -4.107 + 3696TIP3 H117397 3.084 2.253 -4.175 + 3696TIP3 H217398 3.127 2.289 -4.038 + 3697TIP3 OH217399 2.967 1.963 -4.213 + 3697TIP3 H117400 2.997 2.034 -4.272 + 3697TIP3 H217401 2.999 1.885 -4.259 + 3698TIP3 OH217402 2.907 2.073 -3.651 + 3698TIP3 H117403 2.900 1.977 -3.668 + 3698TIP3 H217404 2.869 2.082 -3.561 + 3699TIP3 OH217405 1.395 2.292 -3.280 + 3699TIP3 H117406 1.420 2.298 -3.374 + 3699TIP3 H217407 1.481 2.271 -3.239 + 3700TIP3 OH217408 2.970 2.264 -2.735 + 3700TIP3 H117409 3.045 2.203 -2.719 + 3700TIP3 H217410 3.015 2.347 -2.756 + 3701TIP3 OH217411 3.126 2.074 -2.611 + 3701TIP3 H117412 3.047 2.021 -2.636 + 3701TIP3 H217413 3.197 2.007 -2.617 + 3702TIP3 OH217414 2.889 1.651 -4.333 + 3702TIP3 H117415 2.945 1.617 -4.262 + 3702TIP3 H217416 2.803 1.609 -4.318 + 3703TIP3 OH217417 2.891 1.824 -3.835 + 3703TIP3 H117418 2.917 1.730 -3.828 + 3703TIP3 H217419 2.973 1.862 -3.872 + 3704TIP3 OH217420 2.921 1.882 -3.289 + 3704TIP3 H117421 3.018 1.893 -3.291 + 3704TIP3 H217422 2.906 1.884 -3.193 + 3705TIP3 OH217423 2.937 1.952 -3.006 + 3705TIP3 H117424 2.851 1.990 -2.980 + 3705TIP3 H217425 2.989 2.031 -3.028 + 3706TIP3 OH217426 1.388 1.831 -2.643 + 3706TIP3 H117427 1.482 1.804 -2.635 + 3706TIP3 H217428 1.343 1.745 -2.634 + 3707TIP3 OH217429 3.191 1.367 -2.478 + 3707TIP3 H117430 3.234 1.297 -2.531 + 3707TIP3 H217431 3.196 1.444 -2.537 + 3708TIP3 OH217432 2.942 1.549 -3.830 + 3708TIP3 H117433 2.952 1.511 -3.741 + 3708TIP3 H217434 2.868 1.495 -3.865 + 3709TIP3 OH217435 1.463 1.661 -3.359 + 3709TIP3 H117436 1.510 1.576 -3.353 + 3709TIP3 H217437 1.531 1.721 -3.324 + 3710TIP3 OH217438 1.317 1.929 -3.255 + 3710TIP3 H117439 1.375 1.926 -3.333 + 3710TIP3 H217440 1.353 2.005 -3.208 + 3711TIP3 OH217441 3.130 1.573 -2.654 + 3711TIP3 H117442 3.042 1.614 -2.651 + 3711TIP3 H217443 3.120 1.516 -2.733 + 3712TIP3 OH217444 3.145 1.587 -4.174 + 3712TIP3 H117445 3.168 1.517 -4.235 + 3712TIP3 H217446 3.228 1.638 -4.170 + 3713TIP3 OH217447 1.366 1.568 -3.849 + 3713TIP3 H117448 1.272 1.566 -3.872 + 3713TIP3 H217449 1.405 1.623 -3.919 + 3714TIP3 OH217450 2.826 3.086 -3.638 + 3714TIP3 H117451 2.872 3.064 -3.721 + 3714TIP3 H217452 2.897 3.129 -3.588 + 3715TIP3 OH217453 1.359 1.454 -3.020 + 3715TIP3 H117454 1.287 1.409 -2.976 + 3715TIP3 H217455 1.312 1.503 -3.091 + 3716TIP3 OH217456 1.570 2.763 -2.567 + 3716TIP3 H117457 1.497 2.758 -2.630 + 3716TIP3 H217458 1.525 2.754 -2.482 + 3717TIP3 OH217459 1.854 2.858 -3.000 + 3717TIP3 H117460 1.823 2.944 -3.035 + 3717TIP3 H217461 1.950 2.868 -3.017 + 3718TIP3 OH217462 2.305 2.989 -2.698 + 3718TIP3 H117463 2.319 2.972 -2.604 + 3718TIP3 H217464 2.388 3.034 -2.723 + 3719TIP3 OH217465 2.534 3.135 -2.775 + 3719TIP3 H117466 2.603 3.071 -2.797 + 3719TIP3 H217467 2.564 3.165 -2.687 + 3720TIP3 OH217468 3.017 1.395 -2.855 + 3720TIP3 H117469 2.937 1.413 -2.906 + 3720TIP3 H217470 3.039 1.305 -2.888 + 3721TIP3 OH217471 1.592 3.154 -2.966 + 3721TIP3 H117472 1.532 3.217 -3.011 + 3721TIP3 H217473 1.558 3.158 -2.876 + 3722TIP3 OH217474 1.841 3.131 -3.111 + 3722TIP3 H117475 1.756 3.150 -3.068 + 3722TIP3 H217476 1.844 3.201 -3.180 + 3723TIP3 OH217477 2.315 3.131 -3.155 + 3723TIP3 H117478 2.278 3.176 -3.233 + 3723TIP3 H217479 2.324 3.205 -3.092 + 3724TIP3 OH217480 2.549 3.002 -3.063 + 3724TIP3 H117481 2.464 3.039 -3.096 + 3724TIP3 H217482 2.605 3.081 -3.065 + 3725TIP3 OH217483 2.802 3.175 -3.044 + 3725TIP3 H117484 2.798 3.270 -3.067 + 3725TIP3 H217485 2.830 3.137 -3.129 + 3726TIP3 OH217486 1.550 3.034 -3.272 + 3726TIP3 H117487 1.548 2.985 -3.187 + 3726TIP3 H217488 1.626 2.990 -3.315 + 3727TIP3 OH217489 1.752 2.909 -3.429 + 3727TIP3 H117490 1.736 2.816 -3.401 + 3727TIP3 H217491 1.843 2.924 -3.396 + 3728TIP3 OH217492 2.027 2.955 -3.339 + 3728TIP3 H117493 2.046 2.862 -3.360 + 3728TIP3 H217494 2.034 2.953 -3.243 + 3729TIP3 OH217495 2.360 1.544 -3.410 + 3729TIP3 H117496 2.291 1.477 -3.395 + 3729TIP3 H217497 2.420 1.498 -3.470 + 3730TIP3 OH217498 2.855 1.348 -3.362 + 3730TIP3 H117499 2.931 1.391 -3.405 + 3730TIP3 H217500 2.780 1.375 -3.418 + 3731TIP3 OH217501 3.064 1.456 -3.575 + 3731TIP3 H117502 3.134 1.416 -3.628 + 3731TIP3 H217503 3.095 1.549 -3.567 + 3732TIP3 OH217504 1.596 1.416 -3.653 + 3732TIP3 H117505 1.510 1.404 -3.697 + 3732TIP3 H217506 1.637 1.329 -3.668 + 3733TIP3 OH217507 1.476 1.371 -4.079 + 3733TIP3 H117508 1.533 1.435 -4.127 + 3733TIP3 H217509 1.440 1.427 -4.008 + 3734TIP3 OH217510 2.041 1.402 -3.666 + 3734TIP3 H117511 2.134 1.428 -3.680 + 3734TIP3 H217512 2.040 1.389 -3.570 + 3735TIP3 OH217513 2.603 1.402 -3.524 + 3735TIP3 H117514 2.627 1.387 -3.616 + 3735TIP3 H217515 2.563 1.317 -3.500 + 3736TIP3 OH217516 2.706 1.400 -3.920 + 3736TIP3 H117517 2.628 1.445 -3.956 + 3736TIP3 H217518 2.674 1.308 -3.914 + 3737TIP3 OH217519 1.484 2.962 -3.967 + 3737TIP3 H117520 1.410 2.960 -4.031 + 3737TIP3 H217521 1.482 3.054 -3.940 + 3738TIP3 OH217522 1.642 1.546 -4.229 + 3738TIP3 H117523 1.693 1.483 -4.283 + 3738TIP3 H217524 1.712 1.589 -4.178 + 3739TIP3 OH217525 2.155 1.564 -3.959 + 3739TIP3 H117526 2.194 1.508 -3.891 + 3739TIP3 H217527 2.178 1.652 -3.924 + 3740TIP3 OH217528 2.359 3.124 -4.145 + 3740TIP3 H117529 2.457 3.136 -4.149 + 3740TIP3 H217530 2.348 3.064 -4.221 + 3741TIP3 OH217531 3.003 3.045 -3.885 + 3741TIP3 H117532 2.983 2.962 -3.932 + 3741TIP3 H217533 2.999 3.111 -3.957 + 3742TIP3 OH217534 1.575 1.438 -2.701 + 3742TIP3 H117535 1.535 1.357 -2.664 + 3742TIP3 H217536 1.667 1.427 -2.673 + 3743TIP3 OH217537 1.814 1.378 -2.526 + 3743TIP3 H117538 1.896 1.344 -2.568 + 3743TIP3 H217539 1.778 1.298 -2.485 + 3744TIP3 OH217540 1.682 3.068 -4.232 + 3744TIP3 H117541 1.640 3.095 -4.150 + 3744TIP3 H217542 1.746 3.001 -4.205 + 3745TIP3 OH217543 2.626 1.292 -2.509 + 3745TIP3 H117544 2.629 1.247 -2.422 + 3745TIP3 H217545 2.720 1.286 -2.536 + 3746TIP3 OH217546 2.962 2.923 -2.641 + 3746TIP3 H117547 2.889 2.903 -2.702 + 3746TIP3 H217548 2.945 3.016 -2.621 + 3747TIP3 OH217549 4.213 2.197 -3.313 + 3747TIP3 H117550 4.291 2.228 -3.263 + 3747TIP3 H217551 4.246 2.197 -3.403 + 3748TIP3 OH217552 3.515 2.193 -3.152 + 3748TIP3 H117553 3.514 2.118 -3.089 + 3748TIP3 H217554 3.587 2.247 -3.117 + 3749TIP3 OH217555 3.580 2.655 -3.300 + 3749TIP3 H117556 3.557 2.564 -3.328 + 3749TIP3 H217557 3.675 2.644 -3.282 + 3750TIP3 OH217558 3.281 1.996 -3.763 + 3750TIP3 H117559 3.241 2.084 -3.752 + 3750TIP3 H217560 3.210 1.948 -3.808 + 3751TIP3 OH217561 3.360 2.242 -3.579 + 3751TIP3 H117562 3.376 2.159 -3.529 + 3751TIP3 H217563 3.445 2.255 -3.624 + 3752TIP3 OH217564 4.120 2.485 -3.253 + 3752TIP3 H117565 4.146 2.412 -3.310 + 3752TIP3 H217566 4.204 2.507 -3.210 + 3753TIP3 OH217567 3.745 1.720 -3.505 + 3753TIP3 H117568 3.758 1.806 -3.549 + 3753TIP3 H217569 3.707 1.669 -3.579 + 3754TIP3 OH217570 3.412 1.992 -3.453 + 3754TIP3 H117571 3.475 1.945 -3.397 + 3754TIP3 H217572 3.420 1.944 -3.537 + 3755TIP3 OH217573 3.952 2.129 -3.507 + 3755TIP3 H117574 4.027 2.077 -3.472 + 3755TIP3 H217575 3.902 2.059 -3.553 + 3756TIP3 OH217576 3.624 1.598 -3.089 + 3756TIP3 H117577 3.584 1.649 -3.161 + 3756TIP3 H217578 3.558 1.612 -3.018 + 3757TIP3 OH217579 3.915 2.381 -3.074 + 3757TIP3 H117580 3.843 2.442 -3.049 + 3757TIP3 H217581 3.980 2.442 -3.114 + 3758TIP3 OH217582 3.584 1.803 -3.295 + 3758TIP3 H117583 3.648 1.861 -3.249 + 3758TIP3 H217584 3.642 1.766 -3.365 + 3759TIP3 OH217585 3.715 2.573 -3.002 + 3759TIP3 H117586 3.714 2.664 -3.036 + 3759TIP3 H217587 3.628 2.570 -2.959 + 3760TIP3 OH217588 3.345 2.547 -3.918 + 3760TIP3 H117589 3.327 2.593 -4.002 + 3760TIP3 H217590 3.364 2.621 -3.856 + 3761TIP3 OH217591 4.043 1.345 -3.375 + 3761TIP3 H117592 4.014 1.252 -3.375 + 3761TIP3 H217593 3.963 1.389 -3.338 + 3762TIP3 OH217594 4.272 2.224 -3.918 + 3762TIP3 H117595 4.202 2.293 -3.922 + 3762TIP3 H217596 4.338 2.264 -3.976 + 3763TIP3 OH217597 4.286 2.082 -4.213 + 3763TIP3 H117598 4.352 2.089 -4.142 + 3763TIP3 H217599 4.302 1.995 -4.247 + 3764TIP3 OH217600 3.758 2.317 -3.614 + 3764TIP3 H117601 3.729 2.274 -3.697 + 3764TIP3 H217602 3.824 2.254 -3.580 + 3765TIP3 OH217603 3.896 2.656 -3.339 + 3765TIP3 H117604 3.888 2.619 -3.428 + 3765TIP3 H217605 3.976 2.612 -3.306 + 3766TIP3 OH217606 3.815 2.201 -3.267 + 3766TIP3 H117607 3.876 2.199 -3.344 + 3766TIP3 H217608 3.857 2.266 -3.209 + 3767TIP3 OH217609 3.903 2.635 -2.784 + 3767TIP3 H117610 3.852 2.701 -2.736 + 3767TIP3 H217611 3.840 2.608 -2.854 + 3768TIP3 OH217612 3.595 2.269 -2.869 + 3768TIP3 H117613 3.600 2.330 -2.794 + 3768TIP3 H217614 3.499 2.259 -2.880 + 3769TIP3 OH217615 4.251 2.844 -3.699 + 3769TIP3 H117616 4.299 2.892 -3.630 + 3769TIP3 H217617 4.199 2.914 -3.740 + 3770TIP3 OH217618 3.711 2.852 -2.701 + 3770TIP3 H117619 3.701 2.855 -2.798 + 3770TIP3 H217620 3.623 2.823 -2.671 + 3771TIP3 OH217621 3.652 2.192 -3.865 + 3771TIP3 H117622 3.628 2.269 -3.918 + 3771TIP3 H217623 3.582 2.130 -3.887 + 3772TIP3 OH217624 3.255 2.461 -2.989 + 3772TIP3 H117625 3.212 2.461 -3.077 + 3772TIP3 H217626 3.269 2.366 -2.974 + 3773TIP3 OH217627 3.261 2.753 -3.296 + 3773TIP3 H117628 3.355 2.726 -3.293 + 3773TIP3 H217629 3.257 2.816 -3.222 + 3774TIP3 OH217630 4.173 2.735 -2.833 + 3774TIP3 H117631 4.180 2.824 -2.795 + 3774TIP3 H217632 4.082 2.709 -2.812 + 3775TIP3 OH217633 4.183 3.116 -3.846 + 3775TIP3 H117634 4.206 3.111 -3.940 + 3775TIP3 H217635 4.211 3.205 -3.821 + 3776TIP3 OH217636 3.578 3.004 -3.703 + 3776TIP3 H117637 3.586 3.013 -3.607 + 3776TIP3 H217638 3.486 3.030 -3.715 + 3777TIP3 OH217639 3.474 2.620 -2.867 + 3777TIP3 H117640 3.500 2.572 -2.786 + 3777TIP3 H217641 3.401 2.566 -2.902 + 3778TIP3 OH217642 3.797 1.462 -3.291 + 3778TIP3 H117643 3.714 1.455 -3.341 + 3778TIP3 H217644 3.776 1.536 -3.232 + 3779TIP3 OH217645 4.234 1.399 -2.862 + 3779TIP3 H117646 4.245 1.326 -2.799 + 3779TIP3 H217647 4.142 1.381 -2.894 + 3780TIP3 OH217648 4.223 1.669 -4.207 + 3780TIP3 H117649 4.159 1.666 -4.136 + 3780TIP3 H217650 4.189 1.603 -4.268 + 3781TIP3 OH217651 3.779 1.942 -3.149 + 3781TIP3 H117652 3.720 1.954 -3.072 + 3781TIP3 H217653 3.787 2.034 -3.184 + 3782TIP3 OH217654 3.774 1.948 -3.660 + 3782TIP3 H117655 3.678 1.939 -3.676 + 3782TIP3 H217656 3.809 1.932 -3.750 + 3783TIP3 OH217657 4.272 1.999 -3.711 + 3783TIP3 H117658 4.266 2.093 -3.736 + 3783TIP3 H217659 4.366 1.990 -3.689 + 3784TIP3 OH217660 4.252 2.032 -2.626 + 3784TIP3 H117661 4.195 1.952 -2.613 + 3784TIP3 H217662 4.338 1.987 -2.629 + 3785TIP3 OH217663 3.515 1.959 -2.963 + 3785TIP3 H117664 3.544 1.988 -2.876 + 3785TIP3 H217665 3.482 1.870 -2.944 + 3786TIP3 OH217666 3.893 1.693 -4.314 + 3786TIP3 H117667 3.855 1.673 -4.226 + 3786TIP3 H217668 3.822 1.750 -4.350 + 3787TIP3 OH217669 3.200 1.705 -3.600 + 3787TIP3 H117670 3.261 1.701 -3.525 + 3787TIP3 H217671 3.250 1.666 -3.673 + 3788TIP3 OH217672 3.358 1.748 -4.039 + 3788TIP3 H117673 3.413 1.798 -4.102 + 3788TIP3 H217674 3.290 1.814 -4.017 + 3789TIP3 OH217675 4.350 2.084 -3.022 + 3789TIP3 H117676 4.378 2.018 -3.089 + 3789TIP3 H217677 4.272 2.040 -2.987 + 3790TIP3 OH217678 4.047 1.683 -3.553 + 3790TIP3 H117679 3.954 1.697 -3.532 + 3790TIP3 H217680 4.089 1.714 -3.471 + 3791TIP3 OH217681 3.509 1.830 -3.690 + 3791TIP3 H117682 3.427 1.857 -3.734 + 3791TIP3 H217683 3.536 1.751 -3.740 + 3792TIP3 OH217684 3.872 1.865 -3.926 + 3792TIP3 H117685 3.967 1.881 -3.919 + 3792TIP3 H217686 3.843 1.925 -3.997 + 3793TIP3 OH217687 3.731 1.981 -4.157 + 3793TIP3 H117688 3.667 1.934 -4.213 + 3793TIP3 H217689 3.803 2.000 -4.219 + 3794TIP3 OH217690 3.581 2.462 -2.648 + 3794TIP3 H117691 3.650 2.471 -2.578 + 3794TIP3 H217692 3.501 2.463 -2.591 + 3795TIP3 OH217693 4.137 1.917 -3.414 + 3795TIP3 H117694 4.219 1.893 -3.460 + 3795TIP3 H217695 4.164 1.913 -3.321 + 3796TIP3 OH217696 3.684 1.604 -3.764 + 3796TIP3 H117697 3.627 1.527 -3.746 + 3796TIP3 H217698 3.767 1.562 -3.792 + 3797TIP3 OH217699 4.048 1.796 -3.144 + 3797TIP3 H117700 3.980 1.863 -3.161 + 3797TIP3 H217701 4.101 1.837 -3.073 + 3798TIP3 OH217702 4.071 2.428 -3.953 + 3798TIP3 H117703 3.991 2.387 -3.990 + 3798TIP3 H217704 4.048 2.443 -3.858 + 3799TIP3 OH217705 4.206 2.433 -2.832 + 3799TIP3 H117706 4.183 2.424 -2.740 + 3799TIP3 H217707 4.214 2.529 -2.845 + 3800TIP3 OH217708 3.577 2.385 -3.379 + 3800TIP3 H117709 3.635 2.376 -3.457 + 3800TIP3 H217710 3.591 2.299 -3.335 + 3801TIP3 OH217711 4.282 2.574 -4.050 + 3801TIP3 H117712 4.252 2.666 -4.035 + 3801TIP3 H217713 4.205 2.524 -4.018 + 3802TIP3 OH217714 3.303 2.214 -2.851 + 3802TIP3 H117715 3.321 2.168 -2.766 + 3802TIP3 H217716 3.244 2.153 -2.897 + 3803TIP3 OH217717 4.002 2.164 -2.650 + 3803TIP3 H117718 3.967 2.134 -2.736 + 3803TIP3 H217719 4.096 2.140 -2.659 + 3804TIP3 OH217720 3.814 2.715 -3.654 + 3804TIP3 H117721 3.856 2.802 -3.665 + 3804TIP3 H217722 3.721 2.738 -3.672 + 3805TIP3 OH217723 3.424 2.205 -4.200 + 3805TIP3 H117724 3.479 2.271 -4.153 + 3805TIP3 H217725 3.334 2.226 -4.167 + 3806TIP3 OH217726 3.994 2.482 -3.692 + 3806TIP3 H117727 3.970 2.575 -3.677 + 3806TIP3 H217728 3.922 2.436 -3.648 + 3807TIP3 OH217729 4.020 2.913 -3.050 + 3807TIP3 H117730 4.078 2.983 -3.087 + 3807TIP3 H217731 4.085 2.861 -3.001 + 3808TIP3 OH217732 3.856 3.005 -3.734 + 3808TIP3 H117733 3.758 3.013 -3.726 + 3808TIP3 H217734 3.885 3.094 -3.708 + 3809TIP3 OH217735 3.436 1.680 -2.890 + 3809TIP3 H117736 3.345 1.704 -2.917 + 3809TIP3 H217737 3.421 1.592 -2.850 + 3810TIP3 OH217738 3.410 2.861 -3.060 + 3810TIP3 H117739 3.443 2.772 -3.047 + 3810TIP3 H217740 3.436 2.903 -2.978 + 3811TIP3 OH217741 4.012 2.712 -4.333 + 3811TIP3 H117742 4.077 2.641 -4.348 + 3811TIP3 H217743 3.972 2.685 -4.248 + 3812TIP3 OH217744 3.883 2.666 -4.075 + 3812TIP3 H117745 3.931 2.618 -4.006 + 3812TIP3 H217746 3.898 2.759 -4.049 + 3813TIP3 OH217747 3.562 2.410 -4.036 + 3813TIP3 H117748 3.488 2.451 -3.987 + 3813TIP3 H217749 3.610 2.489 -4.065 + 3814TIP3 OH217750 4.339 1.707 -2.982 + 3814TIP3 H117751 4.381 1.628 -2.948 + 3814TIP3 H217752 4.274 1.669 -3.043 + 3815TIP3 OH217753 4.162 2.830 -4.028 + 3815TIP3 H117754 4.086 2.881 -3.999 + 3815TIP3 H217755 4.216 2.901 -4.067 + 3816TIP3 OH217756 4.139 1.791 -3.816 + 3816TIP3 H117757 4.198 1.865 -3.788 + 3816TIP3 H217758 4.100 1.773 -3.729 + 3817TIP3 OH217759 4.163 1.892 -2.895 + 3817TIP3 H117760 4.183 1.945 -2.817 + 3817TIP3 H217761 4.236 1.827 -2.898 + 3818TIP3 OH217762 4.194 1.502 -3.698 + 3818TIP3 H117763 4.164 1.580 -3.645 + 3818TIP3 H217764 4.272 1.539 -3.744 + 3819TIP3 OH217765 3.888 2.947 -4.026 + 3819TIP3 H117766 3.899 3.032 -4.072 + 3819TIP3 H217767 3.874 2.976 -3.934 + 3820TIP3 OH217768 3.770 1.616 -4.081 + 3820TIP3 H117769 3.761 1.688 -4.016 + 3820TIP3 H217770 3.844 1.565 -4.044 + 3821TIP3 OH217771 3.604 2.702 -4.157 + 3821TIP3 H117772 3.682 2.738 -4.112 + 3821TIP3 H217773 3.646 2.654 -4.229 + 3822TIP3 OH217774 3.433 1.923 -4.257 + 3822TIP3 H117775 3.445 2.018 -4.240 + 3822TIP3 H217776 3.341 1.921 -4.291 + 3823TIP3 OH217777 3.517 1.418 -3.371 + 3823TIP3 H117778 3.498 1.416 -3.467 + 3823TIP3 H217779 3.483 1.332 -3.340 + 3824TIP3 OH217780 3.396 2.765 -3.756 + 3824TIP3 H117781 3.334 2.826 -3.714 + 3824TIP3 H217782 3.461 2.826 -3.793 + 3825TIP3 OH217783 3.345 3.059 -2.628 + 3825TIP3 H117784 3.404 3.031 -2.555 + 3825TIP3 H217785 3.307 2.974 -2.657 + 3826TIP3 OH217786 3.814 2.966 -2.451 + 3826TIP3 H117787 3.882 2.899 -2.429 + 3826TIP3 H217788 3.790 2.938 -2.541 + 3827TIP3 OH217789 4.224 2.900 -4.338 + 3827TIP3 H117790 4.150 2.837 -4.329 + 3827TIP3 H217791 4.297 2.842 -4.363 + 3828TIP3 OH217792 3.339 2.420 -2.515 + 3828TIP3 H117793 3.351 2.331 -2.553 + 3828TIP3 H217794 3.264 2.453 -2.569 + 3829TIP3 OH217795 3.765 2.460 -4.315 + 3829TIP3 H117796 3.792 2.414 -4.234 + 3829TIP3 H217797 3.848 2.467 -4.366 + 3830TIP3 OH217798 4.007 2.443 -2.584 + 3830TIP3 H117799 3.979 2.476 -2.671 + 3830TIP3 H217800 4.015 2.346 -2.599 + 3831TIP3 OH217801 4.272 2.576 -4.350 + 3831TIP3 H117802 4.323 2.613 -4.275 + 3831TIP3 H217803 4.333 2.509 -4.383 + 3832TIP3 OH217804 3.426 2.133 -2.599 + 3832TIP3 H117805 3.501 2.072 -2.600 + 3832TIP3 H217806 3.423 2.157 -2.505 + 3833TIP3 OH217807 3.866 2.273 -4.093 + 3833TIP3 H117808 3.806 2.228 -4.031 + 3833TIP3 H217809 3.901 2.197 -4.144 + 3834TIP3 OH217810 3.795 2.052 -2.854 + 3834TIP3 H117811 3.739 2.130 -2.837 + 3834TIP3 H217812 3.853 2.085 -2.925 + 3835TIP3 OH217813 4.000 2.063 -4.269 + 3835TIP3 H117814 3.979 2.076 -4.363 + 3835TIP3 H217815 4.090 2.097 -4.260 + 3836TIP3 OH217816 4.283 2.298 -2.484 + 3836TIP3 H117817 4.353 2.267 -2.543 + 3836TIP3 H217818 4.267 2.217 -2.433 + 3837TIP3 OH217819 3.856 1.780 -2.740 + 3837TIP3 H117820 3.862 1.714 -2.812 + 3837TIP3 H217821 3.838 1.861 -2.791 + 3838TIP3 OH217822 3.886 1.623 -2.998 + 3838TIP3 H117823 3.937 1.681 -3.059 + 3838TIP3 H217824 3.795 1.628 -3.033 + 3839TIP3 OH217825 4.066 2.163 -2.966 + 3839TIP3 H117826 4.136 2.163 -3.033 + 3839TIP3 H217827 4.029 2.252 -2.978 + 3840TIP3 OH217828 3.673 1.961 -2.561 + 3840TIP3 H117829 3.620 1.879 -2.564 + 3840TIP3 H217830 3.754 1.933 -2.607 + 3841TIP3 OH217831 3.972 1.362 -2.962 + 3841TIP3 H117832 3.948 1.455 -2.979 + 3841TIP3 H217833 3.905 1.315 -3.016 + 3842TIP3 OH217834 4.103 1.807 -2.586 + 3842TIP3 H117835 4.062 1.782 -2.501 + 3842TIP3 H217836 4.030 1.785 -2.646 + 3843TIP3 OH217837 3.538 1.709 -2.579 + 3843TIP3 H117838 3.532 1.638 -2.645 + 3843TIP3 H217839 3.518 1.661 -2.497 + 3844TIP3 OH217840 3.945 1.309 -2.679 + 3844TIP3 H117841 4.003 1.232 -2.673 + 3844TIP3 H217842 3.942 1.324 -2.775 + 3845TIP3 OH217843 4.036 1.489 -2.486 + 3845TIP3 H117844 4.006 1.433 -2.560 + 3845TIP3 H217845 3.972 1.562 -2.487 + 3846TIP3 OH217846 3.960 3.193 -4.175 + 3846TIP3 H117847 4.053 3.212 -4.159 + 3846TIP3 H217848 3.935 3.261 -4.240 + 3847TIP3 OH217849 3.331 2.605 -4.200 + 3847TIP3 H117850 3.422 2.641 -4.194 + 3847TIP3 H217851 3.336 2.548 -4.278 + 3848TIP3 OH217852 3.251 3.136 -3.753 + 3848TIP3 H117853 3.158 3.112 -3.771 + 3848TIP3 H217854 3.263 3.105 -3.661 + 3849TIP3 OH217855 3.275 2.958 -3.517 + 3849TIP3 H117856 3.251 2.874 -3.475 + 3849TIP3 H217857 3.305 3.008 -3.439 + 3850TIP3 OH217858 3.280 2.291 -3.280 + 3850TIP3 H117859 3.305 2.299 -3.373 + 3850TIP3 H217860 3.368 2.271 -3.240 + 3851TIP3 OH217861 3.273 1.828 -2.638 + 3851TIP3 H117862 3.366 1.801 -2.637 + 3851TIP3 H217863 3.228 1.741 -2.633 + 3852TIP3 OH217864 3.349 1.661 -3.360 + 3852TIP3 H117865 3.395 1.576 -3.351 + 3852TIP3 H217866 3.417 1.722 -3.325 + 3853TIP3 OH217867 3.204 1.929 -3.254 + 3853TIP3 H117868 3.261 1.925 -3.333 + 3853TIP3 H217869 3.240 2.006 -3.209 + 3854TIP3 OH217870 3.252 1.564 -3.852 + 3854TIP3 H117871 3.157 1.565 -3.871 + 3854TIP3 H217872 3.289 1.623 -3.920 + 3855TIP3 OH217873 3.257 1.453 -3.033 + 3855TIP3 H117874 3.186 1.423 -2.975 + 3855TIP3 H217875 3.207 1.503 -3.100 + 3856TIP3 OH217876 3.456 2.757 -2.567 + 3856TIP3 H117877 3.383 2.759 -2.631 + 3856TIP3 H217878 3.409 2.757 -2.482 + 3857TIP3 OH217879 3.741 2.859 -2.999 + 3857TIP3 H117880 3.710 2.944 -3.033 + 3857TIP3 H217881 3.837 2.869 -3.016 + 3858TIP3 OH217882 4.219 3.023 -2.710 + 3858TIP3 H117883 4.205 2.985 -2.621 + 3858TIP3 H217884 4.314 3.043 -2.704 + 3859TIP3 OH217885 3.480 3.154 -2.961 + 3859TIP3 H117886 3.422 3.213 -3.013 + 3859TIP3 H217887 3.438 3.160 -2.875 + 3860TIP3 OH217888 3.738 3.139 -3.103 + 3860TIP3 H117889 3.649 3.151 -3.065 + 3860TIP3 H217890 3.731 3.190 -3.186 + 3861TIP3 OH217891 4.196 3.108 -3.156 + 3861TIP3 H117892 4.172 3.160 -3.234 + 3861TIP3 H217893 4.253 3.168 -3.107 + 3862TIP3 OH217894 3.437 3.070 -3.272 + 3862TIP3 H117895 3.443 3.007 -3.198 + 3862TIP3 H217896 3.509 3.040 -3.330 + 3863TIP3 OH217897 3.631 2.913 -3.423 + 3863TIP3 H117898 3.616 2.819 -3.401 + 3863TIP3 H217899 3.724 2.926 -3.397 + 3864TIP3 OH217900 3.914 2.960 -3.340 + 3864TIP3 H117901 3.933 2.868 -3.364 + 3864TIP3 H217902 3.920 2.955 -3.243 + 3865TIP3 OH217903 4.270 1.506 -3.404 + 3865TIP3 H117904 4.182 1.465 -3.394 + 3865TIP3 H217905 4.294 1.476 -3.492 + 3866TIP3 OH217906 3.483 1.416 -3.654 + 3866TIP3 H117907 3.395 1.404 -3.697 + 3866TIP3 H217908 3.523 1.329 -3.668 + 3867TIP3 OH217909 3.360 1.372 -4.082 + 3867TIP3 H117910 3.418 1.437 -4.127 + 3867TIP3 H217911 3.325 1.424 -4.008 + 3868TIP3 OH217912 3.933 1.397 -3.665 + 3868TIP3 H117913 4.025 1.429 -3.672 + 3868TIP3 H217914 3.924 1.390 -3.569 + 3869TIP3 OH217915 3.374 2.966 -3.983 + 3869TIP3 H117916 3.293 2.967 -4.035 + 3869TIP3 H217917 3.362 3.043 -3.926 + 3870TIP3 OH217918 3.527 1.543 -4.231 + 3870TIP3 H117919 3.585 1.485 -4.283 + 3870TIP3 H217920 3.592 1.595 -4.181 + 3871TIP3 OH217921 4.062 1.561 -3.965 + 3871TIP3 H117922 4.067 1.506 -3.886 + 3871TIP3 H217923 4.059 1.650 -3.926 + 3872TIP3 OH217924 4.261 3.068 -4.123 + 3872TIP3 H117925 4.317 3.146 -4.149 + 3872TIP3 H217926 4.244 3.031 -4.213 + 3873TIP3 OH217927 3.460 1.439 -2.699 + 3873TIP3 H117928 3.420 1.357 -2.665 + 3873TIP3 H217929 3.553 1.426 -2.673 + 3874TIP3 OH217930 3.698 1.377 -2.527 + 3874TIP3 H117931 3.781 1.342 -2.566 + 3874TIP3 H217932 3.663 1.298 -2.484 + 3875TIP3 OH217933 3.567 3.068 -4.231 + 3875TIP3 H117934 3.525 3.090 -4.146 + 3875TIP3 H217935 3.634 3.004 -4.206 + 3876TIP3 OH217936 -3.158 4.203 -3.646 + 3876TIP3 H117937 -3.188 4.295 -3.645 + 3876TIP3 H217938 -3.231 4.160 -3.693 + 3877TIP3 OH217939 -3.281 4.133 -3.317 + 3877TIP3 H117940 -3.275 4.080 -3.236 + 3877TIP3 H217941 -3.303 4.067 -3.384 + 3878TIP3 OH217942 -4.023 4.077 -3.161 + 3878TIP3 H117943 -4.035 4.008 -3.094 + 3878TIP3 H217944 -3.965 4.138 -3.114 + 3879TIP3 OH217945 -4.200 3.931 -3.847 + 3879TIP3 H117946 -4.244 4.010 -3.813 + 3879TIP3 H217947 -4.268 3.888 -3.901 + 3880TIP3 OH217948 -4.199 4.123 -3.595 + 3880TIP3 H117949 -4.192 4.052 -3.529 + 3880TIP3 H217950 -4.106 4.139 -3.613 + 3881TIP3 OH217951 -2.560 3.523 -3.199 + 3881TIP3 H117952 -2.535 3.584 -3.128 + 3881TIP3 H217953 -2.498 3.551 -3.270 + 3882TIP3 OH217954 -3.096 3.804 -3.212 + 3882TIP3 H117955 -3.082 3.708 -3.207 + 3882TIP3 H217956 -3.105 3.817 -3.307 + 3883TIP3 OH217957 -3.800 3.605 -3.505 + 3883TIP3 H117958 -3.786 3.690 -3.551 + 3883TIP3 H217959 -3.833 3.551 -3.580 + 3884TIP3 OH217960 -3.016 3.621 -3.674 + 3884TIP3 H117961 -2.958 3.578 -3.608 + 3884TIP3 H217962 -2.949 3.665 -3.729 + 3885TIP3 OH217963 -4.141 3.877 -3.452 + 3885TIP3 H117964 -4.077 3.839 -3.389 + 3885TIP3 H217965 -4.120 3.825 -3.532 + 3886TIP3 OH217966 -3.589 4.017 -3.506 + 3886TIP3 H117967 -3.522 3.959 -3.467 + 3886TIP3 H217968 -3.644 3.953 -3.554 + 3887TIP3 OH217969 -2.488 3.659 -2.951 + 3887TIP3 H117970 -2.546 3.732 -2.980 + 3887TIP3 H217971 -2.507 3.658 -2.856 + 3888TIP3 OH217972 -3.918 3.487 -3.088 + 3888TIP3 H117973 -3.963 3.531 -3.161 + 3888TIP3 H217974 -3.981 3.504 -3.014 + 3889TIP3 OH217975 -3.648 4.268 -3.109 + 3889TIP3 H117976 -3.728 4.323 -3.108 + 3889TIP3 H217977 -3.581 4.337 -3.119 + 3890TIP3 OH217978 -2.832 3.547 -3.470 + 3890TIP3 H117979 -2.871 3.488 -3.404 + 3890TIP3 H217980 -2.780 3.607 -3.414 + 3891TIP3 OH217981 -3.958 3.692 -3.297 + 3891TIP3 H117982 -3.894 3.749 -3.250 + 3891TIP3 H217983 -3.901 3.655 -3.367 + 3892TIP3 OH217984 -2.818 3.460 -3.085 + 3892TIP3 H117985 -2.895 3.501 -3.130 + 3892TIP3 H217986 -2.745 3.481 -3.147 + 3893TIP3 OH217987 -3.505 3.233 -3.380 + 3893TIP3 H117988 -3.528 3.138 -3.385 + 3893TIP3 H217989 -3.588 3.271 -3.343 + 3894TIP3 OH217990 -3.303 4.141 -3.909 + 3894TIP3 H117991 -3.368 4.181 -3.968 + 3894TIP3 H217992 -3.226 4.135 -3.968 + 3895TIP3 OH217993 -3.272 3.949 -4.201 + 3895TIP3 H117994 -3.200 3.981 -4.144 + 3895TIP3 H217995 -3.222 3.889 -4.260 + 3896TIP3 OH217996 -2.556 4.055 -3.081 + 3896TIP3 H117997 -2.620 4.128 -3.067 + 3896TIP3 H217998 -2.504 4.094 -3.155 + 3897TIP3 OH217999 -2.937 4.140 -3.807 + 3897TIP3 H118000 -3.002 4.161 -3.738 + 3897TIP3 H218001 -2.870 4.089 -3.757 + 3898TIP3 OH218002 -2.963 3.980 -2.912 + 3898TIP3 H118003 -2.959 4.057 -2.852 + 3898TIP3 H218004 -3.018 4.018 -2.983 + 3899TIP3 OH218005 -3.774 4.216 -3.614 + 3899TIP3 H118006 -3.802 4.182 -3.701 + 3899TIP3 H218007 -3.704 4.153 -3.589 + 3900TIP3 OH218008 -3.732 4.076 -3.275 + 3900TIP3 H118009 -3.670 4.076 -3.351 + 3900TIP3 H218010 -3.696 4.145 -3.217 + 3901TIP3 OH218011 -3.039 4.078 -4.056 + 3901TIP3 H118012 -2.988 4.102 -3.975 + 3901TIP3 H218013 -2.978 4.109 -4.126 + 3902TIP3 OH218014 -3.957 4.144 -2.874 + 3902TIP3 H118015 -3.949 4.202 -2.795 + 3902TIP3 H218016 -4.047 4.169 -2.904 + 3903TIP3 OH218017 -2.693 3.237 -4.075 + 3903TIP3 H118018 -2.789 3.248 -4.057 + 3903TIP3 H218019 -2.669 3.327 -4.102 + 3904TIP3 OH218020 -3.896 4.084 -3.861 + 3904TIP3 H118021 -3.916 4.163 -3.916 + 3904TIP3 H218022 -3.966 4.023 -3.888 + 3905TIP3 OH218023 -4.201 4.274 -2.997 + 3905TIP3 H118024 -4.256 4.317 -3.064 + 3905TIP3 H218025 -4.265 4.243 -2.931 + 3906TIP3 OH218026 -2.765 3.837 -2.678 + 3906TIP3 H118027 -2.814 3.875 -2.752 + 3906TIP3 H218028 -2.759 3.743 -2.705 + 3907TIP3 OH218029 -3.749 3.347 -3.289 + 3907TIP3 H118030 -3.831 3.340 -3.340 + 3907TIP3 H218031 -3.771 3.422 -3.231 + 3908TIP3 OH218032 -3.311 3.306 -2.924 + 3908TIP3 H118033 -3.258 3.254 -2.861 + 3908TIP3 H218034 -3.401 3.272 -2.911 + 3909TIP3 OH218035 -2.995 3.685 -2.873 + 3909TIP3 H118036 -3.055 3.671 -2.798 + 3909TIP3 H218037 -3.001 3.781 -2.889 + 3910TIP3 OH218038 -2.841 4.146 -4.251 + 3910TIP3 H118039 -2.858 4.154 -4.346 + 3910TIP3 H218040 -2.794 4.229 -4.233 + 3911TIP3 OH218041 -3.327 3.544 -4.215 + 3911TIP3 H118042 -3.385 3.550 -4.139 + 3911TIP3 H218043 -3.373 3.478 -4.268 + 3912TIP3 OH218044 -3.761 3.827 -3.147 + 3912TIP3 H118045 -3.821 3.839 -3.072 + 3912TIP3 H218046 -3.755 3.918 -3.185 + 3913TIP3 OH218047 -3.770 3.832 -3.661 + 3913TIP3 H118048 -3.865 3.830 -3.680 + 3913TIP3 H218049 -3.734 3.817 -3.751 + 3914TIP3 OH218050 -3.198 3.896 -3.784 + 3914TIP3 H118051 -3.245 3.972 -3.823 + 3914TIP3 H218052 -3.135 3.872 -3.855 + 3915TIP3 OH218053 -3.288 3.921 -2.639 + 3915TIP3 H118054 -3.337 3.843 -2.607 + 3915TIP3 H218055 -3.198 3.905 -2.602 + 3916TIP3 OH218056 -3.123 3.829 -3.507 + 3916TIP3 H118057 -3.147 3.884 -3.584 + 3916TIP3 H218058 -3.099 3.747 -3.554 + 3917TIP3 OH218059 -4.028 3.843 -2.964 + 3917TIP3 H118060 -3.996 3.884 -2.883 + 3917TIP3 H218061 -4.050 3.753 -2.935 + 3918TIP3 OH218062 -3.649 3.586 -4.302 + 3918TIP3 H118063 -3.697 3.552 -4.225 + 3918TIP3 H218064 -3.721 3.635 -4.348 + 3919TIP3 OH218065 -4.335 3.599 -3.606 + 3919TIP3 H118066 -4.308 3.577 -3.515 + 3919TIP3 H218067 -4.279 3.541 -3.660 + 3920TIP3 OH218068 -4.209 3.683 -4.020 + 3920TIP3 H118069 -4.151 3.661 -4.094 + 3920TIP3 H218070 -4.297 3.671 -4.057 + 3921TIP3 OH218071 -3.226 3.997 -3.062 + 3921TIP3 H118072 -3.171 3.930 -3.110 + 3921TIP3 H218073 -3.251 3.946 -2.983 + 3922TIP3 OH218074 -3.490 3.594 -3.557 + 3922TIP3 H118075 -3.584 3.590 -3.534 + 3922TIP3 H218076 -3.448 3.575 -3.471 + 3923TIP3 OH218077 -4.047 3.715 -3.691 + 3923TIP3 H118078 -4.111 3.739 -3.760 + 3923TIP3 H218079 -4.004 3.636 -3.730 + 3924TIP3 OH218080 -3.673 3.755 -3.923 + 3924TIP3 H118081 -3.576 3.761 -3.918 + 3924TIP3 H218082 -3.697 3.813 -3.997 + 3925TIP3 OH218083 -3.052 3.507 -3.255 + 3925TIP3 H118084 -3.116 3.508 -3.181 + 3925TIP3 H218085 -3.110 3.474 -3.326 + 3926TIP3 OH218086 -3.815 3.870 -4.160 + 3926TIP3 H118087 -3.870 3.815 -4.219 + 3926TIP3 H218088 -3.739 3.887 -4.217 + 3927TIP3 OH218089 -3.956 4.306 -2.659 + 3927TIP3 H118090 -3.889 4.354 -2.608 + 3927TIP3 H218091 -4.035 4.321 -2.602 + 3928TIP3 OH218092 -3.391 3.849 -3.376 + 3928TIP3 H118093 -3.314 3.808 -3.420 + 3928TIP3 H218094 -3.403 3.789 -3.299 + 3929TIP3 OH218095 -3.870 3.485 -3.750 + 3929TIP3 H118096 -3.915 3.400 -3.751 + 3929TIP3 H218097 -3.791 3.465 -3.802 + 3930TIP3 OH218098 -3.492 3.693 -3.151 + 3930TIP3 H118099 -3.569 3.753 -3.149 + 3930TIP3 H218100 -3.442 3.720 -3.072 + 3931TIP3 OH218101 -3.513 4.362 -3.941 + 3931TIP3 H118102 -3.560 4.295 -3.994 + 3931TIP3 H218103 -3.473 4.312 -3.870 + 3932TIP3 OH218104 -2.732 4.266 -3.093 + 3932TIP3 H118105 -2.705 4.311 -3.175 + 3932TIP3 H218106 -2.827 4.256 -3.113 + 3933TIP3 OH218107 -3.062 3.610 -4.182 + 3933TIP3 H118108 -3.160 3.608 -4.186 + 3933TIP3 H218109 -3.042 3.687 -4.125 + 3934TIP3 OH218110 -3.001 3.796 -3.984 + 3934TIP3 H118111 -2.914 3.776 -3.945 + 3934TIP3 H218112 -2.984 3.880 -4.030 + 3935TIP3 OH218113 -3.972 4.219 -3.421 + 3935TIP3 H118114 -3.889 4.232 -3.470 + 3935TIP3 H218115 -3.944 4.162 -3.347 + 3936TIP3 OH218116 -4.290 4.105 -2.805 + 3936TIP3 H118117 -4.234 4.050 -2.747 + 3936TIP3 H218118 -4.295 4.051 -2.887 + 3937TIP3 OH218119 -3.542 4.049 -2.651 + 3937TIP3 H118120 -3.575 4.027 -2.740 + 3937TIP3 H218121 -3.447 4.027 -2.661 + 3938TIP3 OH218122 -2.529 3.806 -3.998 + 3938TIP3 H118123 -2.591 3.786 -4.071 + 3938TIP3 H218124 -2.517 3.900 -4.017 + 3939TIP3 OH218125 -2.989 4.182 -3.227 + 3939TIP3 H118126 -3.080 4.181 -3.259 + 3939TIP3 H218127 -2.941 4.134 -3.296 + 3940TIP3 OH218128 -4.153 4.084 -4.160 + 3940TIP3 H118129 -4.080 4.145 -4.145 + 3940TIP3 H218130 -4.223 4.145 -4.186 + 3941TIP3 OH218131 -4.100 3.572 -2.887 + 3941TIP3 H118132 -4.186 3.612 -2.910 + 3941TIP3 H218133 -4.123 3.487 -2.846 + 3942TIP3 OH218134 -3.961 -4.395 -4.009 + 3942TIP3 H118135 -4.053 -4.361 -4.014 + 3942TIP3 H218136 -3.912 -4.320 -4.046 + 3943TIP3 OH218137 -3.211 3.549 -3.035 + 3943TIP3 H118138 -3.148 3.576 -2.966 + 3943TIP3 H218139 -3.259 3.475 -2.993 + 3944TIP3 OH218140 -3.150 3.503 -3.920 + 3944TIP3 H118141 -3.119 3.551 -3.999 + 3944TIP3 H218142 -3.097 3.544 -3.850 + 3945TIP3 OH218143 -3.406 3.696 -3.814 + 3945TIP3 H118144 -3.325 3.749 -3.799 + 3945TIP3 H218145 -3.434 3.677 -3.723 + 3946TIP3 OH218146 -3.367 3.791 -2.897 + 3946TIP3 H118147 -3.360 3.840 -2.813 + 3946TIP3 H218148 -3.316 3.711 -2.876 + 3947TIP3 OH218149 -3.342 3.396 -3.724 + 3947TIP3 H118150 -3.362 3.464 -3.657 + 3947TIP3 H218151 -3.271 3.439 -3.775 + 3948TIP3 OH218152 -3.772 3.496 -4.062 + 3948TIP3 H118153 -3.768 3.580 -4.014 + 3948TIP3 H218154 -3.688 3.453 -4.037 + 3949TIP3 OH218155 -2.741 3.584 -2.809 + 3949TIP3 H118156 -2.837 3.597 -2.826 + 3949TIP3 H218157 -2.714 3.563 -2.900 + 3950TIP3 OH218158 -2.888 3.967 -3.415 + 3950TIP3 H118159 -2.972 3.921 -3.434 + 3950TIP3 H218160 -2.840 3.900 -3.362 + 3951TIP3 OH218161 -4.097 3.823 -4.292 + 3951TIP3 H118162 -4.098 3.896 -4.228 + 3951TIP3 H218163 -4.185 3.784 -4.282 + 3952TIP3 OH218164 -4.028 3.296 -3.373 + 3952TIP3 H118165 -4.057 3.293 -3.466 + 3952TIP3 H218166 -4.069 3.215 -3.336 + 3953TIP3 OH218167 -4.199 4.346 -2.549 + 3953TIP3 H118168 -4.194 4.249 -2.546 + 3953TIP3 H218169 -4.294 4.361 -2.533 + 3954TIP3 OH218170 -3.588 4.329 -2.612 + 3954TIP3 H118171 -3.584 4.346 -2.708 + 3954TIP3 H218172 -3.551 4.238 -2.608 + 3955TIP3 OH218173 -2.985 -4.376 -2.838 + 3955TIP3 H118174 -2.905 -4.333 -2.872 + 3955TIP3 H218175 -3.052 -4.309 -2.856 + 3956TIP3 OH218176 -4.133 4.019 -2.585 + 3956TIP3 H118177 -4.052 3.967 -2.597 + 3956TIP3 H218178 -4.128 4.039 -2.491 + 3957TIP3 OH218179 -3.656 4.156 -4.082 + 3957TIP3 H118180 -3.730 4.122 -4.030 + 3957TIP3 H218181 -3.641 4.084 -4.146 + 3958TIP3 OH218182 -3.748 3.933 -2.854 + 3958TIP3 H118183 -3.805 4.010 -2.836 + 3958TIP3 H218184 -3.684 3.970 -2.917 + 3959TIP3 OH218185 -3.555 3.967 -4.278 + 3959TIP3 H118186 -3.549 3.942 -4.371 + 3959TIP3 H218187 -3.460 3.969 -4.254 + 3960TIP3 OH218188 -3.220 4.215 -2.500 + 3960TIP3 H118189 -3.131 4.197 -2.534 + 3960TIP3 H218190 -3.251 4.129 -2.473 + 3961TIP3 OH218191 -3.692 3.662 -2.741 + 3961TIP3 H118192 -3.683 3.597 -2.813 + 3961TIP3 H218193 -3.711 3.744 -2.790 + 3962TIP3 OH218194 -3.656 3.511 -2.996 + 3962TIP3 H118195 -3.604 3.562 -3.061 + 3962TIP3 H218196 -3.747 3.514 -3.033 + 3963TIP3 OH218197 -3.507 4.066 -2.966 + 3963TIP3 H118198 -3.423 4.054 -3.013 + 3963TIP3 H218199 -3.541 4.148 -3.007 + 3964TIP3 OH218200 -3.043 3.849 -2.478 + 3964TIP3 H118201 -3.021 3.755 -2.467 + 3964TIP3 H218202 -2.954 3.888 -2.484 + 3965TIP3 OH218203 -2.948 4.136 -2.644 + 3965TIP3 H118204 -2.971 4.208 -2.707 + 3965TIP3 H218205 -2.856 4.118 -2.671 + 3966TIP3 OH218206 -3.881 3.854 -2.565 + 3966TIP3 H118207 -3.931 3.771 -2.564 + 3966TIP3 H218208 -3.798 3.828 -2.607 + 3967TIP3 OH218209 -3.586 3.243 -2.961 + 3967TIP3 H118210 -3.602 3.338 -2.978 + 3967TIP3 H218211 -3.656 3.201 -3.015 + 3968TIP3 OH218212 -3.458 3.701 -2.583 + 3968TIP3 H118213 -3.492 3.681 -2.494 + 3968TIP3 H218214 -3.538 3.681 -2.636 + 3969TIP3 OH218215 -3.205 3.607 -2.696 + 3969TIP3 H118216 -3.293 3.611 -2.654 + 3969TIP3 H218217 -3.159 3.543 -2.638 + 3970TIP3 OH218218 -3.021 3.454 -2.524 + 3970TIP3 H118219 -3.036 3.359 -2.507 + 3970TIP3 H218220 -3.038 3.494 -2.437 + 3971TIP3 OH218221 -4.017 3.598 -2.580 + 3971TIP3 H118222 -4.016 3.524 -2.644 + 3971TIP3 H218223 -4.032 3.551 -2.496 + 3972TIP3 OH218224 -3.601 3.192 -2.680 + 3972TIP3 H118225 -3.542 3.115 -2.675 + 3972TIP3 H218226 -3.604 3.207 -2.777 + 3973TIP3 OH218227 -3.507 3.378 -2.494 + 3973TIP3 H118228 -3.536 3.319 -2.567 + 3973TIP3 H218229 -3.575 3.446 -2.493 + 3974TIP3 OH218230 -2.566 4.365 -3.891 + 3974TIP3 H118231 -2.472 4.364 -3.911 + 3974TIP3 H218232 -2.582 4.278 -3.851 + 3975TIP3 OH218233 -2.532 4.131 -3.733 + 3975TIP3 H118234 -2.608 4.087 -3.691 + 3975TIP3 H218235 -2.473 4.150 -3.657 + 3976TIP3 OH218236 -2.514 4.106 -4.106 + 3976TIP3 H118237 -2.576 4.139 -4.173 + 3976TIP3 H218238 -2.527 4.172 -4.037 + 3977TIP3 OH218239 -2.690 3.848 -4.212 + 3977TIP3 H118240 -2.663 3.920 -4.271 + 3977TIP3 H218241 -2.658 3.770 -4.259 + 3978TIP3 OH218242 -2.758 3.966 -3.658 + 3978TIP3 H118243 -2.760 3.870 -3.672 + 3978TIP3 H218244 -2.793 3.973 -3.566 + 3979TIP3 OH218245 -4.264 4.191 -3.274 + 3979TIP3 H118246 -4.226 4.188 -3.363 + 3979TIP3 H218247 -4.188 4.166 -3.219 + 3980TIP3 OH218248 -2.673 4.161 -2.734 + 3980TIP3 H118249 -2.600 4.100 -2.710 + 3980TIP3 H218250 -2.628 4.244 -2.761 + 3981TIP3 OH218251 -2.530 3.965 -2.619 + 3981TIP3 H118252 -2.610 3.912 -2.637 + 3981TIP3 H218253 -2.461 3.897 -2.616 + 3982TIP3 OH218254 -2.768 3.547 -4.323 + 3982TIP3 H118255 -2.708 3.502 -4.261 + 3982TIP3 H218256 -2.849 3.493 -4.320 + 3983TIP3 OH218257 -2.766 3.710 -3.836 + 3983TIP3 H118258 -2.740 3.615 -3.828 + 3983TIP3 H218259 -2.685 3.747 -3.873 + 3984TIP3 OH218260 -2.737 3.768 -3.289 + 3984TIP3 H118261 -2.639 3.779 -3.291 + 3984TIP3 H218262 -2.751 3.771 -3.193 + 3985TIP3 OH218263 -2.720 3.838 -3.005 + 3985TIP3 H118264 -2.806 3.876 -2.982 + 3985TIP3 H218265 -2.668 3.917 -3.030 + 3986TIP3 OH218266 -4.288 3.706 -2.654 + 3986TIP3 H118267 -4.199 3.669 -2.645 + 3986TIP3 H218268 -4.346 3.634 -2.626 + 3987TIP3 OH218269 -2.465 3.251 -2.478 + 3987TIP3 H118270 -2.422 3.184 -2.534 + 3987TIP3 H218271 -2.462 3.330 -2.536 + 3988TIP3 OH218272 -2.716 3.434 -3.831 + 3988TIP3 H118273 -2.701 3.397 -3.742 + 3988TIP3 H218274 -2.790 3.380 -3.862 + 3989TIP3 OH218275 -4.197 3.555 -3.324 + 3989TIP3 H118276 -4.160 3.466 -3.332 + 3989TIP3 H218277 -4.117 3.609 -3.314 + 3990TIP3 OH218278 -4.357 3.826 -3.264 + 3990TIP3 H118279 -4.312 3.765 -3.324 + 3990TIP3 H218280 -4.306 3.907 -3.279 + 3991TIP3 OH218281 -2.526 3.457 -2.653 + 3991TIP3 H118282 -2.614 3.500 -2.649 + 3991TIP3 H218283 -2.537 3.403 -2.733 + 3992TIP3 OH218284 -2.513 3.472 -4.176 + 3992TIP3 H118285 -2.485 3.401 -4.233 + 3992TIP3 H218286 -2.431 3.523 -4.167 + 3993TIP3 OH218287 -4.313 3.437 -3.873 + 3993TIP3 H118288 -4.386 3.436 -3.937 + 3993TIP3 H218289 -4.241 3.461 -3.934 + 3994TIP3 OH218290 -4.290 3.330 -3.056 + 3994TIP3 H118291 -4.358 3.319 -2.986 + 3994TIP3 H218292 -4.337 3.372 -3.129 + 3995TIP3 OH218293 -2.640 3.280 -2.854 + 3995TIP3 H118294 -2.720 3.301 -2.907 + 3995TIP3 H218295 -2.618 3.191 -2.888 + 3996TIP3 OH218296 -3.297 3.430 -3.409 + 3996TIP3 H118297 -3.366 3.362 -3.395 + 3996TIP3 H218298 -3.236 3.384 -3.469 + 3997TIP3 OH218299 -2.802 3.232 -3.363 + 3997TIP3 H118300 -2.726 3.276 -3.403 + 3997TIP3 H218301 -2.876 3.263 -3.418 + 3998TIP3 OH218302 -2.595 3.342 -3.578 + 3998TIP3 H118303 -2.522 3.300 -3.626 + 3998TIP3 H218304 -2.562 3.434 -3.567 + 3999TIP3 OH218305 -4.106 3.286 -3.649 + 3999TIP3 H118306 -4.176 3.271 -3.713 + 3999TIP3 H218307 -4.046 3.211 -3.666 + 4000TIP3 OH218308 -3.614 3.282 -3.665 + 4000TIP3 H118309 -3.523 3.314 -3.679 + 4000TIP3 H218310 -3.616 3.275 -3.569 + 4001TIP3 OH218311 -3.054 3.288 -3.524 + 4001TIP3 H118312 -3.030 3.274 -3.617 + 4001TIP3 H218313 -3.093 3.202 -3.500 + 4002TIP3 OH218314 -2.950 3.286 -3.919 + 4002TIP3 H118315 -3.028 3.334 -3.952 + 4002TIP3 H218316 -2.983 3.195 -3.918 + 4003TIP3 OH218317 -3.976 3.463 -4.267 + 4003TIP3 H118318 -3.991 3.368 -4.275 + 4003TIP3 H218319 -3.946 3.471 -4.176 + 4004TIP3 OH218320 -3.504 3.447 -3.959 + 4004TIP3 H118321 -3.464 3.394 -3.889 + 4004TIP3 H218322 -3.478 3.536 -3.929 + 4005TIP3 OH218323 -4.079 3.327 -2.703 + 4005TIP3 H118324 -4.124 3.251 -2.662 + 4005TIP3 H218325 -3.988 3.312 -2.673 + 4006TIP3 OH218326 -3.844 3.264 -2.527 + 4006TIP3 H118327 -3.762 3.229 -2.567 + 4006TIP3 H218328 -3.878 3.185 -2.482 + 4007TIP3 OH218329 -3.031 3.174 -2.510 + 4007TIP3 H118330 -3.026 3.133 -2.421 + 4007TIP3 H218331 -2.937 3.171 -2.537 + 4008TIP3 OH218332 -1.272 4.204 -3.647 + 4008TIP3 H118333 -1.304 4.295 -3.646 + 4008TIP3 H218334 -1.345 4.160 -3.692 + 4009TIP3 OH218335 -1.393 4.132 -3.317 + 4009TIP3 H118336 -1.390 4.080 -3.236 + 4009TIP3 H218337 -1.418 4.067 -3.383 + 4010TIP3 OH218338 -2.149 4.083 -3.156 + 4010TIP3 H118339 -2.151 4.007 -3.095 + 4010TIP3 H218340 -2.074 4.132 -3.120 + 4011TIP3 OH218341 -2.378 3.885 -3.762 + 4011TIP3 H118342 -2.422 3.972 -3.755 + 4011TIP3 H218343 -2.445 3.833 -3.807 + 4012TIP3 OH218344 -2.285 4.135 -3.578 + 4012TIP3 H118345 -2.285 4.055 -3.522 + 4012TIP3 H218346 -2.204 4.119 -3.628 + 4013TIP3 OH218347 -0.672 3.521 -3.198 + 4013TIP3 H118348 -0.651 3.585 -3.129 + 4013TIP3 H218349 -0.613 3.552 -3.270 + 4014TIP3 OH218350 -1.208 3.804 -3.212 + 4014TIP3 H118351 -1.198 3.708 -3.206 + 4014TIP3 H218352 -1.221 3.817 -3.307 + 4015TIP3 OH218353 -1.916 3.606 -3.504 + 4015TIP3 H118354 -1.899 3.690 -3.551 + 4015TIP3 H218355 -1.947 3.551 -3.578 + 4016TIP3 OH218356 -1.130 3.621 -3.676 + 4016TIP3 H118357 -1.074 3.576 -3.608 + 4016TIP3 H218358 -1.062 3.665 -3.729 + 4017TIP3 OH218359 -2.246 3.877 -3.453 + 4017TIP3 H118360 -2.182 3.831 -3.397 + 4017TIP3 H218361 -2.236 3.829 -3.537 + 4018TIP3 OH218362 -1.704 4.018 -3.506 + 4018TIP3 H118363 -1.636 3.960 -3.466 + 4018TIP3 H218364 -1.758 3.954 -3.555 + 4019TIP3 OH218365 -0.600 3.661 -2.950 + 4019TIP3 H118366 -0.658 3.732 -2.981 + 4019TIP3 H218367 -0.627 3.656 -2.857 + 4020TIP3 OH218368 -2.034 3.484 -3.088 + 4020TIP3 H118369 -2.075 3.533 -3.161 + 4020TIP3 H218370 -2.099 3.500 -3.017 + 4021TIP3 OH218371 -1.763 4.267 -3.111 + 4021TIP3 H118372 -1.844 4.320 -3.106 + 4021TIP3 H218373 -1.697 4.338 -3.117 + 4022TIP3 OH218374 -0.943 3.545 -3.470 + 4022TIP3 H118375 -0.988 3.488 -3.407 + 4022TIP3 H218376 -0.896 3.607 -3.412 + 4023TIP3 OH218377 -2.074 3.690 -3.295 + 4023TIP3 H118378 -2.008 3.745 -3.248 + 4023TIP3 H218379 -2.017 3.652 -3.366 + 4024TIP3 OH218380 -0.933 3.463 -3.085 + 4024TIP3 H118381 -1.010 3.501 -3.129 + 4024TIP3 H218382 -0.861 3.480 -3.149 + 4025TIP3 OH218383 -1.611 3.233 -3.368 + 4025TIP3 H118384 -1.637 3.143 -3.393 + 4025TIP3 H218385 -1.698 3.272 -3.345 + 4026TIP3 OH218386 -1.417 4.142 -3.909 + 4026TIP3 H118387 -1.483 4.179 -3.969 + 4026TIP3 H218388 -1.341 4.134 -3.968 + 4027TIP3 OH218389 -1.380 3.948 -4.206 + 4027TIP3 H118390 -1.307 3.976 -4.149 + 4027TIP3 H218391 -1.335 3.886 -4.267 + 4028TIP3 OH218392 -0.669 4.055 -3.081 + 4028TIP3 H118393 -0.734 4.127 -3.068 + 4028TIP3 H218394 -0.618 4.095 -3.155 + 4029TIP3 OH218395 -1.051 4.140 -3.807 + 4029TIP3 H118396 -1.117 4.161 -3.738 + 4029TIP3 H218397 -0.985 4.089 -3.757 + 4030TIP3 OH218398 -1.076 3.981 -2.912 + 4030TIP3 H118399 -1.075 4.058 -2.853 + 4030TIP3 H218400 -1.135 4.016 -2.982 + 4031TIP3 OH218401 -1.898 4.207 -3.611 + 4031TIP3 H118402 -1.918 4.179 -3.702 + 4031TIP3 H218403 -1.820 4.153 -3.591 + 4032TIP3 OH218404 -1.847 4.070 -3.271 + 4032TIP3 H118405 -1.787 4.073 -3.348 + 4032TIP3 H218406 -1.812 4.143 -3.215 + 4033TIP3 OH218407 -1.151 4.075 -4.056 + 4033TIP3 H118408 -1.102 4.101 -3.975 + 4033TIP3 H218409 -1.091 4.109 -4.126 + 4034TIP3 OH218410 -2.059 4.149 -2.886 + 4034TIP3 H118411 -2.047 4.212 -2.810 + 4034TIP3 H218412 -2.155 4.138 -2.885 + 4035TIP3 OH218413 -0.807 3.237 -4.075 + 4035TIP3 H118414 -0.903 3.245 -4.059 + 4035TIP3 H218415 -0.785 3.327 -4.101 + 4036TIP3 OH218416 -2.010 4.088 -3.860 + 4036TIP3 H118417 -2.029 4.166 -3.916 + 4036TIP3 H218418 -2.073 4.023 -3.894 + 4037TIP3 OH218419 -2.417 4.309 -2.982 + 4037TIP3 H118420 -2.412 4.292 -3.078 + 4037TIP3 H218421 -2.381 4.226 -2.945 + 4038TIP3 OH218422 -0.877 3.838 -2.679 + 4038TIP3 H118423 -0.931 3.875 -2.750 + 4038TIP3 H218424 -0.874 3.744 -2.705 + 4039TIP3 OH218425 -1.863 3.347 -3.286 + 4039TIP3 H118426 -1.941 3.343 -3.343 + 4039TIP3 H218427 -1.888 3.421 -3.228 + 4040TIP3 OH218428 -1.425 3.308 -2.924 + 4040TIP3 H118429 -1.373 3.255 -2.861 + 4040TIP3 H218430 -1.516 3.273 -2.913 + 4041TIP3 OH218431 -1.106 3.686 -2.870 + 4041TIP3 H118432 -1.170 3.670 -2.798 + 4041TIP3 H218433 -1.118 3.780 -2.889 + 4042TIP3 OH218434 -0.948 4.145 -4.252 + 4042TIP3 H118435 -0.992 4.166 -4.337 + 4042TIP3 H218436 -0.902 4.230 -4.234 + 4043TIP3 OH218437 -1.440 3.543 -4.216 + 4043TIP3 H118438 -1.497 3.555 -4.139 + 4043TIP3 H218439 -1.484 3.469 -4.259 + 4044TIP3 OH218440 -1.876 3.824 -3.146 + 4044TIP3 H118441 -1.935 3.838 -3.070 + 4044TIP3 H218442 -1.868 3.915 -3.183 + 4045TIP3 OH218443 -1.882 3.836 -3.661 + 4045TIP3 H118444 -1.977 3.825 -3.677 + 4045TIP3 H218445 -1.847 3.816 -3.750 + 4046TIP3 OH218446 -1.311 3.898 -3.784 + 4046TIP3 H118447 -1.360 3.972 -3.822 + 4046TIP3 H218448 -1.251 3.872 -3.857 + 4047TIP3 OH218449 -1.402 3.920 -2.639 + 4047TIP3 H118450 -1.452 3.843 -2.607 + 4047TIP3 H218451 -1.313 3.904 -2.601 + 4048TIP3 OH218452 -1.235 3.830 -3.507 + 4048TIP3 H118453 -1.262 3.885 -3.584 + 4048TIP3 H218454 -1.214 3.747 -3.553 + 4049TIP3 OH218455 -2.140 3.842 -2.968 + 4049TIP3 H118456 -2.113 3.877 -2.882 + 4049TIP3 H218457 -2.173 3.754 -2.944 + 4050TIP3 OH218458 -1.772 3.579 -4.314 + 4050TIP3 H118459 -1.806 3.560 -4.224 + 4050TIP3 H218460 -1.844 3.632 -4.352 + 4051TIP3 OH218461 -2.458 3.590 -3.601 + 4051TIP3 H118462 -2.396 3.588 -3.525 + 4051TIP3 H218463 -2.406 3.551 -3.673 + 4052TIP3 OH218464 -2.301 3.633 -4.040 + 4052TIP3 H118465 -2.243 3.682 -4.102 + 4052TIP3 H218466 -2.367 3.701 -4.018 + 4053TIP3 OH218467 -1.337 3.997 -3.060 + 4053TIP3 H118468 -1.285 3.929 -3.109 + 4053TIP3 H218469 -1.368 3.944 -2.985 + 4054TIP3 OH218470 -1.603 3.600 -3.558 + 4054TIP3 H118471 -1.697 3.583 -3.539 + 4054TIP3 H218472 -1.561 3.569 -3.477 + 4055TIP3 OH218473 -2.148 3.715 -3.690 + 4055TIP3 H118474 -2.229 3.740 -3.737 + 4055TIP3 H218475 -2.118 3.636 -3.738 + 4056TIP3 OH218476 -1.787 3.759 -3.920 + 4056TIP3 H118477 -1.690 3.759 -3.917 + 4056TIP3 H218478 -1.808 3.813 -3.998 + 4057TIP3 OH218479 -1.167 3.507 -3.257 + 4057TIP3 H118480 -1.231 3.508 -3.182 + 4057TIP3 H218481 -1.225 3.473 -3.327 + 4058TIP3 OH218482 -1.928 3.868 -4.158 + 4058TIP3 H118483 -1.992 3.822 -4.216 + 4058TIP3 H218484 -1.855 3.889 -4.218 + 4059TIP3 OH218485 -2.047 4.317 -2.678 + 4059TIP3 H118486 -1.990 4.363 -2.613 + 4059TIP3 H218487 -2.128 4.304 -2.624 + 4060TIP3 OH218488 -1.503 3.851 -3.373 + 4060TIP3 H118489 -1.433 3.805 -3.421 + 4060TIP3 H218490 -1.520 3.789 -3.300 + 4061TIP3 OH218491 -1.975 3.487 -3.766 + 4061TIP3 H118492 -2.026 3.408 -3.744 + 4061TIP3 H218493 -1.888 3.450 -3.787 + 4062TIP3 OH218494 -1.605 3.695 -3.151 + 4062TIP3 H118495 -1.684 3.752 -3.149 + 4062TIP3 H218496 -1.556 3.721 -3.071 + 4063TIP3 OH218497 -1.631 4.364 -3.939 + 4063TIP3 H118498 -1.674 4.296 -3.995 + 4063TIP3 H218499 -1.584 4.313 -3.872 + 4064TIP3 OH218500 -0.846 4.267 -3.093 + 4064TIP3 H118501 -0.820 4.311 -3.176 + 4064TIP3 H218502 -0.941 4.256 -3.112 + 4065TIP3 OH218503 -1.172 3.619 -4.208 + 4065TIP3 H118504 -1.268 3.602 -4.194 + 4065TIP3 H218505 -1.149 3.681 -4.137 + 4066TIP3 OH218506 -1.115 3.789 -3.991 + 4066TIP3 H118507 -1.029 3.774 -3.946 + 4066TIP3 H218508 -1.101 3.878 -4.030 + 4067TIP3 OH218509 -2.052 4.248 -3.392 + 4067TIP3 H118510 -1.991 4.239 -3.468 + 4067TIP3 H218511 -2.038 4.163 -3.347 + 4068TIP3 OH218512 -2.345 4.081 -2.855 + 4068TIP3 H118513 -2.334 4.043 -2.766 + 4068TIP3 H218514 -2.418 4.030 -2.893 + 4069TIP3 OH218515 -1.656 4.051 -2.653 + 4069TIP3 H118516 -1.689 4.027 -2.740 + 4069TIP3 H218517 -1.562 4.027 -2.661 + 4070TIP3 OH218518 -0.644 3.805 -3.999 + 4070TIP3 H118519 -0.707 3.787 -4.072 + 4070TIP3 H218520 -0.631 3.900 -4.017 + 4071TIP3 OH218521 -1.103 4.184 -3.228 + 4071TIP3 H118522 -1.195 4.181 -3.258 + 4071TIP3 H218523 -1.056 4.133 -3.296 + 4072TIP3 OH218524 -2.234 4.084 -4.196 + 4072TIP3 H118525 -2.179 4.154 -4.157 + 4072TIP3 H218526 -2.324 4.111 -4.171 + 4073TIP3 OH218527 -2.222 3.566 -2.889 + 4073TIP3 H118528 -2.312 3.589 -2.917 + 4073TIP3 H218529 -2.235 3.478 -2.849 + 4074TIP3 OH218530 -2.077 -4.393 -4.009 + 4074TIP3 H118531 -2.167 -4.356 -4.005 + 4074TIP3 H218532 -2.027 -4.318 -4.043 + 4075TIP3 OH218533 -1.324 3.549 -3.036 + 4075TIP3 H118534 -1.264 3.575 -2.964 + 4075TIP3 H218535 -1.374 3.475 -2.995 + 4076TIP3 OH218536 -1.258 3.502 -3.924 + 4076TIP3 H118537 -1.233 3.565 -3.993 + 4076TIP3 H218538 -1.217 3.543 -3.845 + 4077TIP3 OH218539 -1.519 3.694 -3.815 + 4077TIP3 H118540 -1.439 3.747 -3.796 + 4077TIP3 H218541 -1.550 3.672 -3.724 + 4078TIP3 OH218542 -1.476 3.794 -2.898 + 4078TIP3 H118543 -1.475 3.840 -2.813 + 4078TIP3 H218544 -1.433 3.710 -2.875 + 4079TIP3 OH218545 -1.452 3.380 -3.722 + 4079TIP3 H118546 -1.478 3.450 -3.660 + 4079TIP3 H218547 -1.386 3.423 -3.779 + 4080TIP3 OH218548 -1.886 3.502 -4.079 + 4080TIP3 H118549 -1.895 3.572 -4.012 + 4080TIP3 H218550 -1.812 3.451 -4.042 + 4081TIP3 OH218551 -0.854 3.583 -2.811 + 4081TIP3 H118552 -0.950 3.597 -2.823 + 4081TIP3 H218553 -0.831 3.562 -2.903 + 4082TIP3 OH218554 -1.002 3.967 -3.415 + 4082TIP3 H118555 -1.086 3.923 -3.434 + 4082TIP3 H218556 -0.955 3.899 -3.362 + 4083TIP3 OH218557 -2.222 3.806 -4.259 + 4083TIP3 H118558 -2.210 3.901 -4.241 + 4083TIP3 H218559 -2.314 3.805 -4.291 + 4084TIP3 OH218560 -2.146 3.306 -3.371 + 4084TIP3 H118561 -2.156 3.300 -3.468 + 4084TIP3 H218562 -2.175 3.218 -3.341 + 4085TIP3 OH218563 -2.292 4.307 -2.566 + 4085TIP3 H118564 -2.312 4.212 -2.560 + 4085TIP3 H218565 -2.375 4.348 -2.593 + 4086TIP3 OH218566 -1.701 4.329 -2.611 + 4086TIP3 H118567 -1.699 4.345 -2.708 + 4086TIP3 H218568 -1.667 4.238 -2.607 + 4087TIP3 OH218569 -1.099 -4.376 -2.838 + 4087TIP3 H118570 -1.020 -4.332 -2.872 + 4087TIP3 H218571 -1.168 -4.311 -2.857 + 4088TIP3 OH218572 -2.234 4.023 -2.593 + 4088TIP3 H118573 -2.155 3.966 -2.600 + 4088TIP3 H218574 -2.232 4.044 -2.498 + 4089TIP3 OH218575 -1.771 4.155 -4.082 + 4089TIP3 H118576 -1.843 4.120 -4.028 + 4089TIP3 H218577 -1.758 4.084 -4.147 + 4090TIP3 OH218578 -1.861 3.933 -2.855 + 4090TIP3 H118579 -1.917 4.010 -2.835 + 4090TIP3 H218580 -1.797 3.971 -2.918 + 4091TIP3 OH218581 -1.665 3.955 -4.274 + 4091TIP3 H118582 -1.670 3.954 -4.370 + 4091TIP3 H218583 -1.569 3.966 -4.259 + 4092TIP3 OH218584 -1.332 4.216 -2.500 + 4092TIP3 H118585 -1.245 4.193 -2.534 + 4092TIP3 H218586 -1.367 4.131 -2.471 + 4093TIP3 OH218587 -1.808 3.663 -2.743 + 4093TIP3 H118588 -1.799 3.597 -2.815 + 4093TIP3 H218589 -1.827 3.744 -2.793 + 4094TIP3 OH218590 -1.771 3.511 -2.997 + 4094TIP3 H118591 -1.719 3.561 -3.062 + 4094TIP3 H218592 -1.862 3.514 -3.034 + 4095TIP3 OH218593 -1.622 4.067 -2.967 + 4095TIP3 H118594 -1.538 4.054 -3.013 + 4095TIP3 H218595 -1.656 4.148 -3.007 + 4096TIP3 OH218596 -1.157 3.850 -2.482 + 4096TIP3 H118597 -1.141 3.756 -2.460 + 4096TIP3 H218598 -1.066 3.884 -2.483 + 4097TIP3 OH218599 -1.062 4.137 -2.642 + 4097TIP3 H118600 -1.086 4.208 -2.707 + 4097TIP3 H218601 -0.972 4.116 -2.673 + 4098TIP3 OH218602 -1.993 3.853 -2.568 + 4098TIP3 H118603 -2.040 3.768 -2.562 + 4098TIP3 H218604 -1.907 3.825 -2.602 + 4099TIP3 OH218605 -1.699 3.244 -2.960 + 4099TIP3 H118606 -1.716 3.339 -2.978 + 4099TIP3 H218607 -1.768 3.202 -3.016 + 4100TIP3 OH218608 -1.573 3.701 -2.587 + 4100TIP3 H118609 -1.603 3.676 -2.498 + 4100TIP3 H218610 -1.655 3.678 -2.637 + 4101TIP3 OH218611 -1.319 3.607 -2.696 + 4101TIP3 H118612 -1.408 3.613 -2.655 + 4101TIP3 H218613 -1.275 3.543 -2.637 + 4102TIP3 OH218614 -1.127 3.451 -2.520 + 4102TIP3 H118615 -1.153 3.358 -2.505 + 4102TIP3 H218616 -1.155 3.496 -2.438 + 4103TIP3 OH218617 -2.119 3.594 -2.576 + 4103TIP3 H118618 -2.124 3.523 -2.643 + 4103TIP3 H218619 -2.139 3.545 -2.494 + 4104TIP3 OH218620 -1.720 3.192 -2.679 + 4104TIP3 H118621 -1.656 3.120 -2.674 + 4104TIP3 H218622 -1.718 3.212 -2.774 + 4105TIP3 OH218623 -1.612 3.380 -2.486 + 4105TIP3 H118624 -1.650 3.310 -2.542 + 4105TIP3 H218625 -1.690 3.428 -2.457 + 4106TIP3 OH218626 -0.680 4.369 -3.885 + 4106TIP3 H118627 -0.588 4.364 -3.913 + 4106TIP3 H218628 -0.698 4.279 -3.853 + 4107TIP3 OH218629 -0.645 4.128 -3.733 + 4107TIP3 H118630 -0.723 4.086 -3.691 + 4107TIP3 H218631 -0.588 4.150 -3.657 + 4108TIP3 OH218632 -0.630 4.104 -4.106 + 4108TIP3 H118633 -0.692 4.137 -4.173 + 4108TIP3 H218634 -0.641 4.171 -4.038 + 4109TIP3 OH218635 -0.807 3.843 -4.216 + 4109TIP3 H118636 -0.781 3.921 -4.268 + 4109TIP3 H218637 -0.764 3.772 -4.265 + 4110TIP3 OH218638 -0.872 3.965 -3.657 + 4110TIP3 H118639 -0.875 3.869 -3.671 + 4110TIP3 H218640 -0.908 3.973 -3.566 + 4111TIP3 OH218641 -2.384 4.189 -3.259 + 4111TIP3 H118642 -2.375 4.201 -3.355 + 4111TIP3 H218643 -2.294 4.160 -3.234 + 4112TIP3 OH218644 -0.786 4.161 -2.736 + 4112TIP3 H118645 -0.714 4.100 -2.710 + 4112TIP3 H218646 -0.740 4.244 -2.760 + 4113TIP3 OH218647 -0.643 3.965 -2.621 + 4113TIP3 H118648 -0.725 3.914 -2.638 + 4113TIP3 H218649 -0.576 3.895 -2.616 + 4114TIP3 OH218650 -0.884 3.528 -4.334 + 4114TIP3 H118651 -0.822 3.507 -4.264 + 4114TIP3 H218652 -0.969 3.495 -4.302 + 4115TIP3 OH218653 -0.881 3.709 -3.836 + 4115TIP3 H118654 -0.854 3.615 -3.828 + 4115TIP3 H218655 -0.799 3.748 -3.873 + 4116TIP3 OH218656 -0.850 3.766 -3.289 + 4116TIP3 H118657 -0.753 3.780 -3.290 + 4116TIP3 H218658 -0.867 3.771 -3.193 + 4117TIP3 OH218659 -0.833 3.837 -3.007 + 4117TIP3 H118660 -0.920 3.874 -2.981 + 4117TIP3 H218661 -0.783 3.918 -3.030 + 4118TIP3 OH218662 -2.387 3.716 -2.639 + 4118TIP3 H118663 -2.293 3.691 -2.636 + 4118TIP3 H218664 -2.430 3.628 -2.632 + 4119TIP3 OH218665 -0.574 3.254 -2.476 + 4119TIP3 H118666 -0.539 3.184 -2.534 + 4119TIP3 H218667 -0.576 3.331 -2.536 + 4120TIP3 OH218668 -0.828 3.433 -3.831 + 4120TIP3 H118669 -0.821 3.398 -3.740 + 4120TIP3 H218670 -0.904 3.380 -3.865 + 4121TIP3 OH218671 -2.309 3.547 -3.358 + 4121TIP3 H118672 -2.263 3.461 -3.353 + 4121TIP3 H218673 -2.239 3.607 -3.325 + 4122TIP3 OH218674 -2.455 3.816 -3.254 + 4122TIP3 H118675 -2.394 3.810 -3.329 + 4122TIP3 H218676 -2.420 3.893 -3.208 + 4123TIP3 OH218677 -0.641 3.456 -2.653 + 4123TIP3 H118678 -0.728 3.500 -2.647 + 4123TIP3 H218679 -0.654 3.403 -2.733 + 4124TIP3 OH218680 -0.628 3.474 -4.177 + 4124TIP3 H118681 -0.598 3.403 -4.233 + 4124TIP3 H218682 -0.546 3.526 -4.166 + 4125TIP3 OH218683 -2.404 3.450 -3.852 + 4125TIP3 H118684 -2.499 3.452 -3.872 + 4125TIP3 H218685 -2.366 3.509 -3.920 + 4126TIP3 OH218686 -2.400 3.338 -3.033 + 4126TIP3 H118687 -2.471 3.310 -2.974 + 4126TIP3 H218688 -2.449 3.389 -3.100 + 4127TIP3 OH218689 -0.752 3.281 -2.856 + 4127TIP3 H118690 -0.834 3.302 -2.905 + 4127TIP3 H218691 -0.733 3.191 -2.889 + 4128TIP3 OH218692 -1.410 3.430 -3.413 + 4128TIP3 H118693 -1.479 3.363 -3.395 + 4128TIP3 H218694 -1.353 3.381 -3.475 + 4129TIP3 OH218695 -0.916 3.230 -3.363 + 4129TIP3 H118696 -0.843 3.278 -3.405 + 4129TIP3 H218697 -0.993 3.259 -3.415 + 4130TIP3 OH218698 -0.706 3.340 -3.575 + 4130TIP3 H118699 -0.635 3.305 -3.631 + 4130TIP3 H218700 -0.678 3.434 -3.565 + 4131TIP3 OH218701 -2.170 3.292 -3.652 + 4131TIP3 H118702 -2.255 3.276 -3.696 + 4131TIP3 H218703 -2.122 3.209 -3.671 + 4132TIP3 OH218704 -2.300 3.258 -4.083 + 4132TIP3 H118705 -2.239 3.321 -4.126 + 4132TIP3 H218706 -2.330 3.309 -4.006 + 4133TIP3 OH218707 -1.736 3.307 -3.665 + 4133TIP3 H118708 -1.644 3.292 -3.691 + 4133TIP3 H218709 -1.747 3.240 -3.597 + 4134TIP3 OH218710 -1.161 3.287 -3.521 + 4134TIP3 H118711 -1.154 3.271 -3.616 + 4134TIP3 H218712 -1.207 3.205 -3.491 + 4135TIP3 OH218713 -1.063 3.285 -3.924 + 4135TIP3 H118714 -1.143 3.336 -3.947 + 4135TIP3 H218715 -1.102 3.197 -3.911 + 4136TIP3 OH218716 -2.130 3.427 -4.230 + 4136TIP3 H118717 -2.072 3.371 -4.282 + 4136TIP3 H218718 -2.065 3.480 -4.180 + 4137TIP3 OH218719 -1.619 3.445 -3.964 + 4137TIP3 H118720 -1.578 3.383 -3.902 + 4137TIP3 H218721 -1.594 3.530 -3.924 + 4138TIP3 OH218722 -2.197 3.323 -2.702 + 4138TIP3 H118723 -2.235 3.242 -2.665 + 4138TIP3 H218724 -2.104 3.313 -2.674 + 4139TIP3 OH218725 -1.965 3.263 -2.530 + 4139TIP3 H118726 -1.878 3.237 -2.567 + 4139TIP3 H218727 -1.992 3.181 -2.487 + 4140TIP3 OH218728 -1.146 3.170 -2.510 + 4140TIP3 H118729 -1.143 3.136 -2.419 + 4140TIP3 H218730 -1.052 3.171 -2.534 + 4141TIP3 OH218731 -0.264 4.083 -3.155 + 4141TIP3 H118732 -0.264 4.008 -3.094 + 4141TIP3 H218733 -0.186 4.131 -3.125 + 4142TIP3 OH218734 -0.492 3.884 -3.763 + 4142TIP3 H118735 -0.534 3.971 -3.754 + 4142TIP3 H218736 -0.561 3.834 -3.807 + 4143TIP3 OH218737 -0.399 4.136 -3.577 + 4143TIP3 H118738 -0.399 4.055 -3.522 + 4143TIP3 H218739 -0.316 4.123 -3.626 + 4144TIP3 OH218740 1.216 3.518 -3.196 + 4144TIP3 H118741 1.235 3.586 -3.129 + 4144TIP3 H218742 1.270 3.552 -3.270 + 4145TIP3 OH218743 0.678 3.801 -3.231 + 4145TIP3 H118744 0.686 3.704 -3.241 + 4145TIP3 H218745 0.642 3.828 -3.316 + 4146TIP3 OH218746 -0.029 3.604 -3.505 + 4146TIP3 H118747 -0.013 3.691 -3.548 + 4146TIP3 H218748 -0.065 3.555 -3.580 + 4147TIP3 OH218749 0.746 3.614 -3.672 + 4147TIP3 H118750 0.807 3.591 -3.600 + 4147TIP3 H218751 0.787 3.693 -3.708 + 4148TIP3 OH218752 -0.362 3.877 -3.453 + 4148TIP3 H118753 -0.297 3.832 -3.397 + 4148TIP3 H218754 -0.351 3.829 -3.537 + 4149TIP3 OH218755 0.177 4.018 -3.495 + 4149TIP3 H118756 0.260 3.972 -3.471 + 4149TIP3 H218757 0.132 3.951 -3.550 + 4150TIP3 OH218758 1.285 3.661 -2.949 + 4150TIP3 H118759 1.228 3.733 -2.981 + 4150TIP3 H218760 1.259 3.658 -2.856 + 4151TIP3 OH218761 -0.150 3.483 -3.088 + 4151TIP3 H118762 -0.188 3.536 -3.160 + 4151TIP3 H218763 -0.215 3.500 -3.017 + 4152TIP3 OH218764 0.112 4.276 -3.101 + 4152TIP3 H118765 0.037 4.334 -3.120 + 4152TIP3 H218766 0.185 4.330 -3.136 + 4153TIP3 OH218767 0.945 3.543 -3.469 + 4153TIP3 H118768 0.895 3.491 -3.404 + 4153TIP3 H218769 0.989 3.609 -3.414 + 4154TIP3 OH218770 -0.188 3.688 -3.294 + 4154TIP3 H118771 -0.123 3.746 -3.248 + 4154TIP3 H218772 -0.130 3.653 -3.366 + 4155TIP3 OH218773 0.953 3.461 -3.085 + 4155TIP3 H118774 0.876 3.502 -3.129 + 4155TIP3 H218775 1.025 3.481 -3.148 + 4156TIP3 OH218776 0.266 3.233 -3.381 + 4156TIP3 H118777 0.242 3.139 -3.385 + 4156TIP3 H218778 0.184 3.272 -3.343 + 4157TIP3 OH218779 0.466 4.123 -3.910 + 4157TIP3 H118780 0.412 4.194 -3.947 + 4157TIP3 H218781 0.551 4.136 -3.953 + 4158TIP3 OH218782 0.499 3.952 -4.209 + 4158TIP3 H118783 0.562 3.981 -4.140 + 4158TIP3 H218784 0.556 3.890 -4.260 + 4159TIP3 OH218785 1.217 4.056 -3.081 + 4159TIP3 H118786 1.150 4.127 -3.068 + 4159TIP3 H218787 1.266 4.096 -3.156 + 4160TIP3 OH218788 0.807 4.151 -3.793 + 4160TIP3 H118789 0.742 4.162 -3.720 + 4160TIP3 H218790 0.874 4.098 -3.747 + 4161TIP3 OH218791 0.803 3.982 -2.915 + 4161TIP3 H118792 0.807 4.062 -2.861 + 4161TIP3 H218793 0.750 4.017 -2.990 + 4162TIP3 OH218794 -0.024 4.198 -3.609 + 4162TIP3 H118795 -0.032 4.179 -3.704 + 4162TIP3 H218796 0.064 4.159 -3.589 + 4163TIP3 OH218797 0.038 4.073 -3.264 + 4163TIP3 H118798 0.096 4.070 -3.343 + 4163TIP3 H218799 0.076 4.145 -3.211 + 4164TIP3 OH218800 0.739 4.070 -4.053 + 4164TIP3 H118801 0.778 4.106 -3.970 + 4164TIP3 H218802 0.799 4.108 -4.121 + 4165TIP3 OH218803 -0.173 4.145 -2.882 + 4165TIP3 H118804 -0.161 4.210 -2.809 + 4165TIP3 H218805 -0.270 4.139 -2.885 + 4166TIP3 OH218806 1.078 3.236 -4.076 + 4166TIP3 H118807 0.983 3.247 -4.056 + 4166TIP3 H218808 1.101 3.326 -4.103 + 4167TIP3 OH218809 -0.124 4.084 -3.864 + 4167TIP3 H118810 -0.142 4.165 -3.918 + 4167TIP3 H218811 -0.191 4.024 -3.896 + 4168TIP3 OH218812 -0.528 4.310 -2.982 + 4168TIP3 H118813 -0.527 4.292 -3.077 + 4168TIP3 H218814 -0.495 4.226 -2.945 + 4169TIP3 OH218815 1.004 3.837 -2.677 + 4169TIP3 H118816 0.958 3.877 -2.753 + 4169TIP3 H218817 1.012 3.744 -2.708 + 4170TIP3 OH218818 0.024 3.346 -3.288 + 4170TIP3 H118819 -0.059 3.342 -3.339 + 4170TIP3 H218820 0.005 3.423 -3.232 + 4171TIP3 OH218821 0.461 3.306 -2.923 + 4171TIP3 H118822 0.513 3.252 -2.861 + 4171TIP3 H218823 0.370 3.273 -2.912 + 4172TIP3 OH218824 0.780 3.685 -2.869 + 4172TIP3 H118825 0.714 3.671 -2.799 + 4172TIP3 H218826 0.768 3.780 -2.893 + 4173TIP3 OH218827 0.936 4.145 -4.254 + 4173TIP3 H118828 0.914 4.157 -4.347 + 4173TIP3 H218829 0.979 4.230 -4.233 + 4174TIP3 OH218830 0.443 3.544 -4.217 + 4174TIP3 H118831 0.386 3.555 -4.139 + 4174TIP3 H218832 0.397 3.474 -4.264 + 4175TIP3 OH218833 0.008 3.825 -3.146 + 4175TIP3 H118834 -0.052 3.840 -3.071 + 4175TIP3 H218835 0.020 3.915 -3.182 + 4176TIP3 OH218836 0.004 3.830 -3.660 + 4176TIP3 H118837 -0.092 3.826 -3.678 + 4176TIP3 H218838 0.040 3.818 -3.749 + 4177TIP3 OH218839 0.570 3.871 -3.786 + 4177TIP3 H118840 0.541 3.963 -3.778 + 4177TIP3 H218841 0.635 3.876 -3.859 + 4178TIP3 OH218842 0.484 3.923 -2.633 + 4178TIP3 H118843 0.433 3.844 -2.608 + 4178TIP3 H218844 0.573 3.902 -2.600 + 4179TIP3 OH218845 -0.251 3.841 -2.969 + 4179TIP3 H118846 -0.231 3.880 -2.883 + 4179TIP3 H218847 -0.288 3.754 -2.944 + 4180TIP3 OH218848 0.115 3.576 -4.316 + 4180TIP3 H118849 0.082 3.559 -4.226 + 4180TIP3 H218850 0.044 3.634 -4.350 + 4181TIP3 OH218851 -0.572 3.588 -3.601 + 4181TIP3 H118852 -0.512 3.589 -3.525 + 4181TIP3 H218853 -0.518 3.552 -3.672 + 4182TIP3 OH218854 -0.416 3.633 -4.040 + 4182TIP3 H118855 -0.358 3.682 -4.101 + 4182TIP3 H218856 -0.482 3.701 -4.018 + 4183TIP3 OH218857 0.546 4.005 -3.058 + 4183TIP3 H118858 0.592 3.955 -3.128 + 4183TIP3 H218859 0.528 3.938 -2.992 + 4184TIP3 OH218860 0.278 3.586 -3.555 + 4184TIP3 H118861 0.184 3.592 -3.531 + 4184TIP3 H218862 0.320 3.580 -3.467 + 4185TIP3 OH218863 -0.266 3.713 -3.687 + 4185TIP3 H118864 -0.344 3.743 -3.736 + 4185TIP3 H218865 -0.234 3.638 -3.740 + 4186TIP3 OH218866 0.099 3.751 -3.926 + 4186TIP3 H118867 0.196 3.761 -3.916 + 4186TIP3 H218868 0.077 3.814 -3.997 + 4187TIP3 OH218869 0.719 3.507 -3.256 + 4187TIP3 H118870 0.656 3.511 -3.182 + 4187TIP3 H218871 0.660 3.472 -3.326 + 4188TIP3 OH218872 -0.044 3.866 -4.157 + 4188TIP3 H118873 -0.104 3.818 -4.217 + 4188TIP3 H218874 0.029 3.892 -4.215 + 4189TIP3 OH218875 -0.162 4.317 -2.678 + 4189TIP3 H118876 -0.105 4.365 -2.615 + 4189TIP3 H218877 -0.242 4.305 -2.624 + 4190TIP3 OH218878 0.383 3.835 -3.378 + 4190TIP3 H118879 0.452 3.799 -3.434 + 4190TIP3 H218880 0.385 3.779 -3.299 + 4191TIP3 OH218881 -0.088 3.490 -3.763 + 4191TIP3 H118882 -0.140 3.411 -3.747 + 4191TIP3 H218883 -0.004 3.454 -3.795 + 4192TIP3 OH218884 0.276 3.687 -3.148 + 4192TIP3 H118885 0.205 3.752 -3.156 + 4192TIP3 H218886 0.328 3.721 -3.072 + 4193TIP3 OH218887 0.282 4.349 -3.955 + 4193TIP3 H118888 0.217 4.288 -3.996 + 4193TIP3 H218889 0.278 4.327 -3.861 + 4194TIP3 OH218890 1.040 4.266 -3.094 + 4194TIP3 H118891 1.061 4.312 -3.177 + 4194TIP3 H218892 0.945 4.252 -3.111 + 4195TIP3 OH218893 0.709 3.608 -4.186 + 4195TIP3 H118894 0.611 3.607 -4.184 + 4195TIP3 H218895 0.733 3.683 -4.127 + 4196TIP3 OH218896 0.775 3.792 -3.994 + 4196TIP3 H118897 0.859 3.779 -3.945 + 4196TIP3 H218898 0.784 3.883 -4.027 + 4197TIP3 OH218899 -0.165 4.251 -3.386 + 4197TIP3 H118900 -0.109 4.238 -3.467 + 4197TIP3 H218901 -0.153 4.164 -3.344 + 4198TIP3 OH218902 -0.460 4.080 -2.856 + 4198TIP3 H118903 -0.451 4.043 -2.766 + 4198TIP3 H218904 -0.534 4.031 -2.894 + 4199TIP3 OH218905 0.229 4.048 -2.650 + 4199TIP3 H118906 0.194 4.029 -2.739 + 4199TIP3 H218907 0.324 4.029 -2.662 + 4200TIP3 OH218908 1.244 3.803 -4.000 + 4200TIP3 H118909 1.178 3.786 -4.070 + 4200TIP3 H218910 1.254 3.899 -4.015 + 4201TIP3 OH218911 0.779 4.162 -3.221 + 4201TIP3 H118912 0.692 4.175 -3.263 + 4201TIP3 H218913 0.829 4.137 -3.300 + 4202TIP3 OH218914 -0.348 4.084 -4.195 + 4202TIP3 H118915 -0.293 4.154 -4.156 + 4202TIP3 H218916 -0.438 4.112 -4.172 + 4203TIP3 OH218917 -0.337 3.565 -2.887 + 4203TIP3 H118918 -0.427 3.591 -2.915 + 4203TIP3 H218919 -0.352 3.477 -2.849 + 4204TIP3 OH218920 -0.192 -4.395 -4.010 + 4204TIP3 H118921 -0.281 -4.355 -4.002 + 4204TIP3 H218922 -0.141 -4.319 -4.040 + 4205TIP3 OH218923 0.560 3.551 -3.035 + 4205TIP3 H118924 0.624 3.575 -2.967 + 4205TIP3 H218925 0.511 3.477 -2.995 + 4206TIP3 OH218926 0.633 3.505 -3.910 + 4206TIP3 H118927 0.657 3.560 -3.986 + 4206TIP3 H218928 0.672 3.555 -3.836 + 4207TIP3 OH218929 0.365 3.689 -3.816 + 4207TIP3 H118930 0.443 3.749 -3.805 + 4207TIP3 H218931 0.338 3.678 -3.723 + 4208TIP3 OH218932 0.398 3.787 -2.895 + 4208TIP3 H118933 0.412 3.845 -2.819 + 4208TIP3 H218934 0.457 3.713 -2.878 + 4209TIP3 OH218935 0.430 3.396 -3.724 + 4209TIP3 H118936 0.407 3.466 -3.659 + 4209TIP3 H218937 0.503 3.439 -3.772 + 4210TIP3 OH218938 -0.000 3.502 -4.078 + 4210TIP3 H118939 -0.006 3.576 -4.016 + 4210TIP3 H218940 0.076 3.453 -4.042 + 4211TIP3 OH218941 1.030 3.583 -2.810 + 4211TIP3 H118942 0.935 3.600 -2.827 + 4211TIP3 H218943 1.057 3.562 -2.901 + 4212TIP3 OH218944 0.887 3.950 -3.433 + 4212TIP3 H118945 0.790 3.947 -3.437 + 4212TIP3 H218946 0.910 3.882 -3.367 + 4213TIP3 OH218947 -0.342 3.807 -4.257 + 4213TIP3 H118948 -0.327 3.902 -4.240 + 4213TIP3 H218949 -0.433 3.808 -4.289 + 4214TIP3 OH218950 -0.253 3.303 -3.371 + 4214TIP3 H118951 -0.273 3.303 -3.467 + 4214TIP3 H218952 -0.290 3.218 -3.341 + 4215TIP3 OH218953 -0.405 4.307 -2.566 + 4215TIP3 H118954 -0.427 4.212 -2.562 + 4215TIP3 H218955 -0.488 4.350 -2.591 + 4216TIP3 OH218956 0.183 4.328 -2.609 + 4216TIP3 H118957 0.186 4.350 -2.705 + 4216TIP3 H218958 0.219 4.238 -2.609 + 4217TIP3 OH218959 0.787 -4.376 -2.835 + 4217TIP3 H118960 0.864 -4.332 -2.872 + 4217TIP3 H218961 0.716 -4.315 -2.860 + 4218TIP3 OH218962 -0.349 4.024 -2.593 + 4218TIP3 H118963 -0.271 3.966 -2.599 + 4218TIP3 H218964 -0.348 4.045 -2.497 + 4219TIP3 OH218965 0.105 4.159 -4.089 + 4219TIP3 H118966 0.043 4.119 -4.026 + 4219TIP3 H218967 0.132 4.084 -4.143 + 4220TIP3 OH218968 0.025 3.934 -2.851 + 4220TIP3 H118969 -0.033 4.011 -2.838 + 4220TIP3 H218970 0.087 3.967 -2.918 + 4221TIP3 OH218971 0.219 3.956 -4.270 + 4221TIP3 H118972 0.220 3.949 -4.366 + 4221TIP3 H218973 0.315 3.965 -4.251 + 4222TIP3 OH218974 0.556 4.216 -2.494 + 4222TIP3 H118975 0.639 4.196 -2.538 + 4222TIP3 H218976 0.517 4.129 -2.479 + 4223TIP3 OH218977 0.083 3.664 -2.741 + 4223TIP3 H118978 0.088 3.598 -2.813 + 4223TIP3 H218979 0.063 3.745 -2.791 + 4224TIP3 OH218980 0.114 3.508 -2.997 + 4224TIP3 H118981 0.167 3.564 -3.059 + 4224TIP3 H218982 0.023 3.515 -3.033 + 4225TIP3 OH218983 0.268 4.067 -2.966 + 4225TIP3 H118984 0.352 4.056 -3.015 + 4225TIP3 H218985 0.233 4.149 -3.005 + 4226TIP3 OH218986 0.731 3.837 -2.466 + 4226TIP3 H118987 0.761 3.749 -2.491 + 4226TIP3 H218988 0.813 3.889 -2.478 + 4227TIP3 OH218989 0.820 4.136 -2.638 + 4227TIP3 H118990 0.798 4.207 -2.703 + 4227TIP3 H218991 0.911 4.116 -2.667 + 4228TIP3 OH218992 -0.102 3.849 -2.559 + 4228TIP3 H118993 -0.153 3.766 -2.563 + 4228TIP3 H218994 -0.022 3.826 -2.609 + 4229TIP3 OH218995 0.186 3.243 -2.960 + 4229TIP3 H118996 0.170 3.338 -2.977 + 4229TIP3 H218997 0.117 3.202 -3.015 + 4230TIP3 OH218998 0.315 3.697 -2.580 + 4230TIP3 H118999 0.270 3.682 -2.495 + 4230TIP3 H219000 0.239 3.682 -2.640 + 4231TIP3 OH219001 0.570 3.607 -2.693 + 4231TIP3 H119002 0.479 3.612 -2.659 + 4231TIP3 H219003 0.611 3.544 -2.631 + 4232TIP3 OH219004 0.751 3.465 -2.492 + 4232TIP3 H119005 0.735 3.369 -2.499 + 4232TIP3 H219006 0.710 3.486 -2.407 + 4233TIP3 OH219007 -0.230 3.594 -2.578 + 4233TIP3 H119008 -0.240 3.525 -2.646 + 4233TIP3 H219009 -0.255 3.546 -2.497 + 4234TIP3 OH219010 0.171 3.191 -2.678 + 4234TIP3 H119011 0.233 3.116 -2.676 + 4234TIP3 H219012 0.166 3.208 -2.774 + 4235TIP3 OH219013 0.266 3.379 -2.490 + 4235TIP3 H119014 0.237 3.321 -2.563 + 4235TIP3 H219015 0.198 3.448 -2.490 + 4236TIP3 OH219016 1.210 4.368 -3.887 + 4236TIP3 H119017 1.303 4.357 -3.911 + 4236TIP3 H219018 1.185 4.280 -3.853 + 4237TIP3 OH219019 1.242 4.128 -3.733 + 4237TIP3 H119020 1.161 4.087 -3.695 + 4237TIP3 H219021 1.293 4.153 -3.654 + 4238TIP3 OH219022 1.260 4.109 -4.108 + 4238TIP3 H119023 1.194 4.138 -4.173 + 4238TIP3 H219024 1.241 4.169 -4.036 + 4239TIP3 OH219025 1.084 3.848 -4.212 + 4239TIP3 H119026 1.107 3.921 -4.272 + 4239TIP3 H219027 1.114 3.771 -4.260 + 4240TIP3 OH219028 1.021 3.967 -3.663 + 4240TIP3 H119029 1.008 3.872 -3.679 + 4240TIP3 H219030 0.976 3.975 -3.575 + 4241TIP3 OH219031 -0.499 4.189 -3.260 + 4241TIP3 H119032 -0.490 4.202 -3.355 + 4241TIP3 H219033 -0.409 4.160 -3.234 + 4242TIP3 OH219034 1.101 4.159 -2.744 + 4242TIP3 H119035 1.173 4.102 -2.709 + 4242TIP3 H219036 1.142 4.245 -2.760 + 4243TIP3 OH219037 1.240 3.967 -2.616 + 4243TIP3 H119038 1.160 3.914 -2.637 + 4243TIP3 H219039 1.309 3.898 -2.615 + 4244TIP3 OH219040 1.005 3.543 -4.325 + 4244TIP3 H119041 1.060 3.506 -4.256 + 4244TIP3 H219042 0.922 3.493 -4.318 + 4245TIP3 OH219043 1.007 3.712 -3.835 + 4245TIP3 H119044 1.029 3.617 -3.826 + 4245TIP3 H219045 1.089 3.747 -3.872 + 4246TIP3 OH219046 1.034 3.756 -3.287 + 4246TIP3 H119047 1.128 3.780 -3.293 + 4246TIP3 H219048 1.016 3.772 -3.193 + 4247TIP3 OH219049 1.051 3.840 -3.001 + 4247TIP3 H119050 0.962 3.877 -2.983 + 4247TIP3 H219051 1.100 3.919 -3.029 + 4248TIP3 OH219052 -0.501 3.717 -2.636 + 4248TIP3 H119053 -0.407 3.689 -2.638 + 4248TIP3 H219054 -0.546 3.631 -2.632 + 4249TIP3 OH219055 1.306 3.253 -2.478 + 4249TIP3 H119056 1.349 3.183 -2.531 + 4249TIP3 H219057 1.310 3.330 -2.537 + 4250TIP3 OH219058 1.060 3.430 -3.831 + 4250TIP3 H119059 1.063 3.400 -3.739 + 4250TIP3 H219060 0.982 3.382 -3.864 + 4251TIP3 OH219061 -0.422 3.547 -3.360 + 4251TIP3 H119062 -0.376 3.462 -3.351 + 4251TIP3 H219063 -0.355 3.609 -3.326 + 4252TIP3 OH219064 -0.568 3.814 -3.253 + 4252TIP3 H119065 -0.509 3.812 -3.330 + 4252TIP3 H219066 -0.536 3.893 -3.207 + 4253TIP3 OH219067 1.245 3.458 -2.653 + 4253TIP3 H119068 1.157 3.500 -2.650 + 4253TIP3 H219069 1.234 3.402 -2.733 + 4254TIP3 OH219070 1.260 3.470 -4.173 + 4254TIP3 H119071 1.284 3.403 -4.237 + 4254TIP3 H219072 1.341 3.524 -4.169 + 4255TIP3 OH219073 -0.518 3.444 -3.856 + 4255TIP3 H119074 -0.614 3.451 -3.871 + 4255TIP3 H219075 -0.481 3.509 -3.920 + 4256TIP3 OH219076 -0.515 3.335 -3.035 + 4256TIP3 H119077 -0.586 3.311 -2.974 + 4256TIP3 H219078 -0.564 3.390 -3.100 + 4257TIP3 OH219079 1.131 3.280 -2.853 + 4257TIP3 H119080 1.053 3.302 -2.907 + 4257TIP3 H219081 1.153 3.191 -2.888 + 4258TIP3 OH219082 0.478 3.427 -3.402 + 4258TIP3 H119083 0.405 3.362 -3.396 + 4258TIP3 H219084 0.534 3.388 -3.471 + 4259TIP3 OH219085 0.970 3.230 -3.364 + 4259TIP3 H119086 1.045 3.278 -3.403 + 4259TIP3 H219087 0.894 3.263 -3.416 + 4260TIP3 OH219088 1.181 3.339 -3.572 + 4260TIP3 H119089 1.250 3.304 -3.630 + 4260TIP3 H219090 1.206 3.433 -3.565 + 4261TIP3 OH219091 -0.290 3.301 -3.651 + 4261TIP3 H119092 -0.375 3.289 -3.698 + 4261TIP3 H219093 -0.247 3.216 -3.669 + 4262TIP3 OH219094 -0.415 3.256 -4.083 + 4262TIP3 H119095 -0.354 3.320 -4.127 + 4262TIP3 H219096 -0.446 3.310 -4.008 + 4263TIP3 OH219097 0.157 3.279 -3.665 + 4263TIP3 H119098 0.245 3.318 -3.681 + 4263TIP3 H219099 0.155 3.276 -3.569 + 4264TIP3 OH219100 0.721 3.286 -3.522 + 4264TIP3 H119101 0.740 3.278 -3.616 + 4264TIP3 H219102 0.678 3.201 -3.502 + 4265TIP3 OH219103 0.825 3.284 -3.922 + 4265TIP3 H119104 0.748 3.340 -3.942 + 4265TIP3 H219105 0.785 3.195 -3.922 + 4266TIP3 OH219106 -0.244 3.424 -4.228 + 4266TIP3 H119107 -0.183 3.374 -4.285 + 4266TIP3 H219108 -0.181 3.481 -4.180 + 4267TIP3 OH219109 0.268 3.444 -3.958 + 4267TIP3 H119110 0.312 3.395 -3.887 + 4267TIP3 H219111 0.291 3.534 -3.931 + 4268TIP3 OH219112 -0.311 3.324 -2.701 + 4268TIP3 H119113 -0.351 3.243 -2.665 + 4268TIP3 H219114 -0.219 3.313 -2.674 + 4269TIP3 OH219115 -0.071 3.265 -2.524 + 4269TIP3 H119116 0.011 3.230 -2.566 + 4269TIP3 H219117 -0.108 3.184 -2.486 + 4270TIP3 OH219118 0.741 3.185 -2.508 + 4270TIP3 H119119 0.744 3.137 -2.423 + 4270TIP3 H219120 0.834 3.179 -2.537 + 4271TIP3 OH219121 2.499 4.204 -3.647 + 4271TIP3 H119122 2.467 4.295 -3.645 + 4271TIP3 H219123 2.425 4.160 -3.692 + 4272TIP3 OH219124 2.380 4.132 -3.318 + 4272TIP3 H119125 2.382 4.080 -3.236 + 4272TIP3 H219126 2.353 4.067 -3.384 + 4273TIP3 OH219127 1.624 4.082 -3.158 + 4273TIP3 H119128 1.621 4.007 -3.095 + 4273TIP3 H219129 1.696 4.134 -3.121 + 4274TIP3 OH219130 1.395 3.887 -3.763 + 4274TIP3 H119131 1.348 3.972 -3.753 + 4274TIP3 H219132 1.327 3.832 -3.803 + 4275TIP3 OH219133 1.492 4.138 -3.574 + 4275TIP3 H119134 1.487 4.056 -3.521 + 4275TIP3 H219135 1.566 4.116 -3.631 + 4276TIP3 OH219136 3.089 3.527 -3.201 + 4276TIP3 H119137 3.119 3.583 -3.127 + 4276TIP3 H219138 3.163 3.541 -3.263 + 4277TIP3 OH219139 2.561 3.804 -3.211 + 4277TIP3 H119140 2.575 3.708 -3.207 + 4277TIP3 H219141 2.551 3.818 -3.307 + 4278TIP3 OH219142 1.859 3.605 -3.505 + 4278TIP3 H119143 1.871 3.691 -3.550 + 4278TIP3 H219144 1.821 3.553 -3.579 + 4279TIP3 OH219145 2.641 3.621 -3.675 + 4279TIP3 H119146 2.698 3.577 -3.608 + 4279TIP3 H219147 2.708 3.665 -3.729 + 4280TIP3 OH219148 1.526 3.879 -3.454 + 4280TIP3 H119149 1.587 3.830 -3.397 + 4280TIP3 H219150 1.533 3.829 -3.537 + 4281TIP3 OH219151 2.068 4.019 -3.507 + 4281TIP3 H119152 2.135 3.960 -3.466 + 4281TIP3 H219153 2.013 3.954 -3.555 + 4282TIP3 OH219154 3.172 3.662 -2.949 + 4282TIP3 H119155 3.111 3.732 -2.980 + 4282TIP3 H219156 3.144 3.654 -2.857 + 4283TIP3 OH219157 1.737 3.484 -3.088 + 4283TIP3 H119158 1.697 3.535 -3.160 + 4283TIP3 H219159 1.672 3.499 -3.017 + 4284TIP3 OH219160 2.008 4.267 -3.111 + 4284TIP3 H119161 1.927 4.320 -3.108 + 4284TIP3 H219162 2.073 4.339 -3.117 + 4285TIP3 OH219163 2.826 3.546 -3.470 + 4285TIP3 H119164 2.787 3.487 -3.404 + 4285TIP3 H219165 2.879 3.606 -3.414 + 4286TIP3 OH219166 1.698 3.688 -3.294 + 4286TIP3 H119167 1.762 3.746 -3.248 + 4286TIP3 H219168 1.756 3.652 -3.365 + 4287TIP3 OH219169 2.837 3.461 -3.084 + 4287TIP3 H119170 2.760 3.500 -3.130 + 4287TIP3 H219171 2.910 3.482 -3.146 + 4288TIP3 OH219172 2.152 3.234 -3.381 + 4288TIP3 H119173 2.129 3.139 -3.385 + 4288TIP3 H219174 2.069 3.272 -3.343 + 4289TIP3 OH219175 2.354 4.140 -3.909 + 4289TIP3 H119176 2.289 4.183 -3.966 + 4289TIP3 H219177 2.430 4.135 -3.968 + 4290TIP3 OH219178 2.386 3.951 -4.203 + 4290TIP3 H119179 2.457 3.981 -4.144 + 4290TIP3 H219180 2.437 3.890 -4.261 + 4291TIP3 OH219181 3.103 4.057 -3.079 + 4291TIP3 H119182 3.036 4.128 -3.068 + 4291TIP3 H219183 3.152 4.094 -3.155 + 4292TIP3 OH219184 2.720 4.141 -3.807 + 4292TIP3 H119185 2.654 4.161 -3.738 + 4292TIP3 H219186 2.786 4.089 -3.757 + 4293TIP3 OH219187 2.694 3.982 -2.912 + 4293TIP3 H119188 2.696 4.061 -2.856 + 4293TIP3 H219189 2.636 4.015 -2.983 + 4294TIP3 OH219190 1.872 4.205 -3.611 + 4294TIP3 H119191 1.852 4.179 -3.702 + 4294TIP3 H219192 1.951 4.153 -3.592 + 4295TIP3 OH219193 1.929 4.066 -3.269 + 4295TIP3 H119194 1.985 4.074 -3.349 + 4295TIP3 H219195 1.959 4.142 -3.215 + 4296TIP3 OH219196 2.618 4.078 -4.056 + 4296TIP3 H119197 2.669 4.102 -3.975 + 4296TIP3 H219198 2.679 4.109 -4.126 + 4297TIP3 OH219199 1.713 4.147 -2.884 + 4297TIP3 H119200 1.724 4.210 -2.809 + 4297TIP3 H219201 1.616 4.139 -2.886 + 4298TIP3 OH219202 2.964 3.241 -4.081 + 4298TIP3 H119203 2.871 3.250 -4.056 + 4298TIP3 H219204 2.988 3.333 -4.100 + 4299TIP3 OH219205 1.763 4.087 -3.861 + 4299TIP3 H119206 1.742 4.166 -3.916 + 4299TIP3 H219207 1.697 4.024 -3.892 + 4300TIP3 OH219208 1.361 4.310 -2.981 + 4300TIP3 H119209 1.357 4.292 -3.076 + 4300TIP3 H219210 1.391 4.223 -2.946 + 4301TIP3 OH219211 2.893 3.839 -2.678 + 4301TIP3 H119212 2.842 3.875 -2.752 + 4301TIP3 H219213 2.898 3.744 -2.704 + 4302TIP3 OH219214 1.910 3.348 -3.289 + 4302TIP3 H119215 1.827 3.342 -3.340 + 4302TIP3 H219216 1.887 3.422 -3.230 + 4303TIP3 OH219217 2.346 3.306 -2.924 + 4303TIP3 H119218 2.399 3.253 -2.861 + 4303TIP3 H219219 2.256 3.272 -2.912 + 4304TIP3 OH219220 2.664 3.686 -2.871 + 4304TIP3 H119221 2.601 3.670 -2.798 + 4304TIP3 H219222 2.653 3.781 -2.889 + 4305TIP3 OH219223 2.816 4.146 -4.251 + 4305TIP3 H119224 2.799 4.153 -4.346 + 4305TIP3 H219225 2.863 4.230 -4.233 + 4306TIP3 OH219226 2.329 3.545 -4.216 + 4306TIP3 H119227 2.273 3.551 -4.138 + 4306TIP3 H219228 2.284 3.476 -4.266 + 4307TIP3 OH219229 1.896 3.824 -3.144 + 4307TIP3 H119230 1.833 3.838 -3.071 + 4307TIP3 H219231 1.904 3.914 -3.182 + 4308TIP3 OH219232 1.889 3.835 -3.661 + 4308TIP3 H119233 1.793 3.826 -3.677 + 4308TIP3 H219234 1.923 3.816 -3.751 + 4309TIP3 OH219235 2.459 3.897 -3.784 + 4309TIP3 H119236 2.412 3.972 -3.823 + 4309TIP3 H219237 2.521 3.872 -3.855 + 4310TIP3 OH219238 2.370 3.922 -2.637 + 4310TIP3 H119239 2.319 3.844 -2.607 + 4310TIP3 H219240 2.459 3.903 -2.601 + 4311TIP3 OH219241 2.534 3.829 -3.507 + 4311TIP3 H119242 2.509 3.884 -3.583 + 4311TIP3 H219243 2.559 3.747 -3.554 + 4312TIP3 OH219244 1.637 3.840 -2.969 + 4312TIP3 H119245 1.653 3.879 -2.882 + 4312TIP3 H219246 1.598 3.754 -2.945 + 4313TIP3 OH219247 2.004 3.580 -4.314 + 4313TIP3 H119248 1.968 3.558 -4.226 + 4313TIP3 H219249 1.931 3.635 -4.349 + 4314TIP3 OH219250 1.316 3.593 -3.602 + 4314TIP3 H119251 1.376 3.586 -3.525 + 4314TIP3 H219252 1.365 3.550 -3.673 + 4315TIP3 OH219253 1.472 3.634 -4.038 + 4315TIP3 H119254 1.527 3.684 -4.102 + 4315TIP3 H219255 1.403 3.700 -4.018 + 4316TIP3 OH219256 2.434 3.997 -3.060 + 4316TIP3 H119257 2.486 3.930 -3.110 + 4316TIP3 H219258 2.403 3.944 -2.985 + 4317TIP3 OH219259 2.167 3.593 -3.557 + 4317TIP3 H119260 2.072 3.591 -3.535 + 4317TIP3 H219261 2.207 3.575 -3.471 + 4318TIP3 OH219262 1.624 3.715 -3.690 + 4318TIP3 H119263 1.541 3.743 -3.734 + 4318TIP3 H219264 1.651 3.637 -3.741 + 4319TIP3 OH219265 1.985 3.755 -3.923 + 4319TIP3 H119266 2.082 3.762 -3.918 + 4319TIP3 H219267 1.960 3.812 -3.998 + 4320TIP3 OH219268 2.604 3.507 -3.255 + 4320TIP3 H119269 2.540 3.509 -3.181 + 4320TIP3 H219270 2.547 3.474 -3.326 + 4321TIP3 OH219271 1.844 3.867 -4.156 + 4321TIP3 H119272 1.781 3.820 -4.214 + 4321TIP3 H219273 1.916 3.890 -4.217 + 4322TIP3 OH219274 1.724 4.316 -2.677 + 4322TIP3 H119275 1.779 4.365 -2.613 + 4322TIP3 H219276 1.643 4.304 -2.624 + 4323TIP3 OH219277 2.267 3.850 -3.375 + 4323TIP3 H119278 2.342 3.807 -3.420 + 4323TIP3 H219279 2.253 3.790 -3.299 + 4324TIP3 OH219280 1.800 3.489 -3.763 + 4324TIP3 H119281 1.743 3.412 -3.747 + 4324TIP3 H219282 1.882 3.450 -3.795 + 4325TIP3 OH219283 2.165 3.695 -3.151 + 4325TIP3 H119284 2.087 3.752 -3.149 + 4325TIP3 H219285 2.214 3.721 -3.071 + 4326TIP3 OH219286 2.148 4.360 -3.946 + 4326TIP3 H119287 2.095 4.294 -3.995 + 4326TIP3 H219288 2.178 4.314 -3.867 + 4327TIP3 OH219289 2.926 4.267 -3.093 + 4327TIP3 H119290 2.950 4.312 -3.176 + 4327TIP3 H219291 2.831 4.255 -3.111 + 4328TIP3 OH219292 2.594 3.611 -4.185 + 4328TIP3 H119293 2.496 3.608 -4.186 + 4328TIP3 H219294 2.616 3.685 -4.126 + 4329TIP3 OH219295 2.655 3.795 -3.985 + 4329TIP3 H119296 2.742 3.775 -3.945 + 4329TIP3 H219297 2.673 3.879 -4.030 + 4330TIP3 OH219298 1.726 4.253 -3.387 + 4330TIP3 H119299 1.781 4.240 -3.467 + 4330TIP3 H219300 1.728 4.164 -3.349 + 4331TIP3 OH219301 1.428 4.078 -2.857 + 4331TIP3 H119302 1.434 4.042 -2.766 + 4331TIP3 H219303 1.350 4.032 -2.894 + 4332TIP3 OH219304 2.115 4.051 -2.651 + 4332TIP3 H119305 2.079 4.027 -2.739 + 4332TIP3 H219306 2.209 4.027 -2.662 + 4333TIP3 OH219307 3.128 3.806 -3.997 + 4333TIP3 H119308 3.067 3.784 -4.070 + 4333TIP3 H219309 3.139 3.901 -4.018 + 4334TIP3 OH219310 2.668 4.183 -3.227 + 4334TIP3 H119311 2.576 4.181 -3.258 + 4334TIP3 H219312 2.715 4.133 -3.296 + 4335TIP3 OH219313 1.537 4.085 -4.197 + 4335TIP3 H119314 1.589 4.155 -4.156 + 4335TIP3 H219315 1.446 4.109 -4.171 + 4336TIP3 OH219316 1.549 3.566 -2.888 + 4336TIP3 H119317 1.459 3.590 -2.916 + 4336TIP3 H219318 1.534 3.477 -2.850 + 4337TIP3 OH219319 1.696 -4.394 -4.009 + 4337TIP3 H119320 1.605 -4.358 -4.004 + 4337TIP3 H219321 1.743 -4.316 -4.041 + 4338TIP3 OH219322 2.446 3.549 -3.035 + 4338TIP3 H119323 2.508 3.575 -2.965 + 4338TIP3 H219324 2.398 3.475 -2.994 + 4339TIP3 OH219325 2.507 3.503 -3.921 + 4339TIP3 H119326 2.538 3.552 -3.999 + 4339TIP3 H219327 2.559 3.543 -3.850 + 4340TIP3 OH219328 2.252 3.696 -3.815 + 4340TIP3 H119329 2.332 3.749 -3.798 + 4340TIP3 H219330 2.222 3.677 -3.724 + 4341TIP3 OH219331 2.293 3.792 -2.898 + 4341TIP3 H119332 2.296 3.840 -2.814 + 4341TIP3 H219333 2.340 3.710 -2.876 + 4342TIP3 OH219334 2.314 3.395 -3.725 + 4342TIP3 H119335 2.294 3.463 -3.657 + 4342TIP3 H219336 2.386 3.439 -3.775 + 4343TIP3 OH219337 1.886 3.502 -4.080 + 4343TIP3 H119338 1.877 3.573 -4.015 + 4343TIP3 H219339 1.961 3.452 -4.043 + 4344TIP3 OH219340 2.917 3.585 -2.810 + 4344TIP3 H119341 2.821 3.597 -2.825 + 4344TIP3 H219342 2.942 3.561 -2.901 + 4345TIP3 OH219343 2.768 3.969 -3.415 + 4345TIP3 H119344 2.684 3.923 -3.435 + 4345TIP3 H219345 2.816 3.901 -3.363 + 4346TIP3 OH219346 1.546 3.808 -4.258 + 4346TIP3 H119347 1.558 3.903 -4.240 + 4346TIP3 H219348 1.453 3.806 -4.289 + 4347TIP3 OH219349 1.633 3.303 -3.371 + 4347TIP3 H119350 1.612 3.303 -3.467 + 4347TIP3 H219351 1.596 3.218 -3.341 + 4348TIP3 OH219352 1.480 4.307 -2.566 + 4348TIP3 H119353 1.457 4.212 -2.564 + 4348TIP3 H219354 1.399 4.351 -2.593 + 4349TIP3 OH219355 2.072 4.328 -2.612 + 4349TIP3 H119356 2.072 4.346 -2.708 + 4349TIP3 H219357 2.103 4.236 -2.609 + 4350TIP3 OH219358 2.672 -4.376 -2.837 + 4350TIP3 H119359 2.750 -4.331 -2.872 + 4350TIP3 H219360 2.602 -4.313 -2.860 + 4351TIP3 OH219361 1.536 4.023 -2.592 + 4351TIP3 H119362 1.615 3.966 -2.600 + 4351TIP3 H219363 1.538 4.045 -2.497 + 4352TIP3 OH219364 2.000 4.156 -4.082 + 4352TIP3 H119365 1.927 4.122 -4.029 + 4352TIP3 H219366 2.014 4.083 -4.145 + 4353TIP3 OH219367 1.912 3.934 -2.850 + 4353TIP3 H119368 1.852 4.010 -2.837 + 4353TIP3 H219369 1.972 3.969 -2.918 + 4354TIP3 OH219370 2.106 3.957 -4.269 + 4354TIP3 H119371 2.103 3.947 -4.365 + 4354TIP3 H219372 2.202 3.965 -4.253 + 4355TIP3 OH219373 2.444 4.216 -2.493 + 4355TIP3 H119374 2.526 4.192 -2.539 + 4355TIP3 H219375 2.402 4.131 -2.477 + 4356TIP3 OH219376 1.968 3.664 -2.742 + 4356TIP3 H119377 1.973 3.598 -2.813 + 4356TIP3 H219378 1.946 3.745 -2.791 + 4357TIP3 OH219379 2.000 3.510 -2.997 + 4357TIP3 H119380 2.051 3.563 -3.061 + 4357TIP3 H219381 1.909 3.514 -3.033 + 4358TIP3 OH219382 2.151 4.068 -2.966 + 4358TIP3 H119383 2.234 4.056 -3.014 + 4358TIP3 H219384 2.114 4.148 -3.006 + 4359TIP3 OH219385 2.615 3.850 -2.478 + 4359TIP3 H119386 2.632 3.755 -2.466 + 4359TIP3 H219387 2.706 3.884 -2.487 + 4360TIP3 OH219388 2.708 4.138 -2.640 + 4360TIP3 H119389 2.685 4.209 -2.704 + 4360TIP3 H219390 2.798 4.116 -2.672 + 4361TIP3 OH219391 1.782 3.850 -2.562 + 4361TIP3 H119392 1.732 3.767 -2.564 + 4361TIP3 H219393 1.864 3.825 -2.606 + 4362TIP3 OH219394 2.072 3.243 -2.961 + 4362TIP3 H119395 2.055 3.338 -2.978 + 4362TIP3 H219396 2.002 3.202 -3.015 + 4363TIP3 OH219397 2.199 3.702 -2.584 + 4363TIP3 H119398 2.164 3.681 -2.495 + 4363TIP3 H219399 2.120 3.682 -2.638 + 4364TIP3 OH219400 2.452 3.608 -2.695 + 4364TIP3 H119401 2.364 3.612 -2.654 + 4364TIP3 H219402 2.498 3.543 -2.638 + 4365TIP3 OH219403 2.638 3.454 -2.523 + 4365TIP3 H119404 2.622 3.359 -2.509 + 4365TIP3 H219405 2.618 3.494 -2.437 + 4366TIP3 OH219406 1.655 3.594 -2.578 + 4366TIP3 H119407 1.646 3.525 -2.645 + 4366TIP3 H219408 1.631 3.546 -2.497 + 4367TIP3 OH219409 2.056 3.192 -2.680 + 4367TIP3 H119410 2.115 3.115 -2.675 + 4367TIP3 H219411 2.053 3.207 -2.776 + 4368TIP3 OH219412 2.151 3.379 -2.495 + 4368TIP3 H119413 2.120 3.319 -2.566 + 4368TIP3 H219414 2.081 3.447 -2.493 + 4369TIP3 OH219415 3.091 4.363 -3.892 + 4369TIP3 H119416 3.185 4.363 -3.911 + 4369TIP3 H219417 3.075 4.277 -3.851 + 4370TIP3 OH219418 3.127 4.130 -3.732 + 4370TIP3 H119419 3.048 4.086 -3.693 + 4370TIP3 H219420 3.180 4.151 -3.654 + 4371TIP3 OH219421 3.144 4.107 -4.106 + 4371TIP3 H119422 3.081 4.137 -4.173 + 4371TIP3 H219423 3.129 4.172 -4.037 + 4372TIP3 OH219424 2.968 3.849 -4.211 + 4372TIP3 H119425 2.995 3.918 -4.274 + 4372TIP3 H219426 2.996 3.769 -4.257 + 4373TIP3 OH219427 2.900 3.966 -3.657 + 4373TIP3 H119428 2.897 3.870 -3.672 + 4373TIP3 H219429 2.864 3.973 -3.566 + 4374TIP3 OH219430 1.387 4.189 -3.260 + 4374TIP3 H119431 1.395 4.203 -3.355 + 4374TIP3 H219432 1.477 4.160 -3.235 + 4375TIP3 OH219433 2.985 4.161 -2.735 + 4375TIP3 H119434 3.059 4.101 -2.711 + 4375TIP3 H219435 3.028 4.245 -2.760 + 4376TIP3 OH219436 3.127 3.965 -2.616 + 4376TIP3 H119437 3.046 3.914 -2.639 + 4376TIP3 H219438 3.195 3.895 -2.615 + 4377TIP3 OH219439 2.887 3.550 -4.321 + 4377TIP3 H119440 2.951 3.501 -4.267 + 4377TIP3 H219441 2.808 3.493 -4.320 + 4378TIP3 OH219442 2.891 3.710 -3.835 + 4378TIP3 H119443 2.916 3.615 -3.829 + 4378TIP3 H219444 2.973 3.747 -3.873 + 4379TIP3 OH219445 2.919 3.771 -3.290 + 4379TIP3 H119446 3.017 3.776 -3.292 + 4379TIP3 H219447 2.905 3.770 -3.194 + 4380TIP3 OH219448 2.938 3.838 -3.003 + 4380TIP3 H119449 2.851 3.875 -2.982 + 4380TIP3 H219450 2.988 3.917 -3.031 + 4381TIP3 OH219451 1.385 3.716 -2.636 + 4381TIP3 H119452 1.479 3.690 -2.638 + 4381TIP3 H219453 1.341 3.630 -2.633 + 4382TIP3 OH219454 3.192 3.253 -2.478 + 4382TIP3 H119455 3.234 3.184 -2.532 + 4382TIP3 H219456 3.196 3.330 -2.537 + 4383TIP3 OH219457 2.938 3.434 -3.832 + 4383TIP3 H119458 2.961 3.395 -3.746 + 4383TIP3 H219459 2.863 3.378 -3.860 + 4384TIP3 OH219460 1.464 3.547 -3.362 + 4384TIP3 H119461 1.509 3.462 -3.351 + 4384TIP3 H219462 1.531 3.608 -3.324 + 4385TIP3 OH219463 1.320 3.813 -3.250 + 4385TIP3 H119464 1.374 3.812 -3.330 + 4385TIP3 H219465 1.350 3.895 -3.208 + 4386TIP3 OH219466 3.131 3.460 -2.654 + 4386TIP3 H119467 3.042 3.499 -2.651 + 4386TIP3 H219468 3.121 3.403 -2.732 + 4387TIP3 OH219469 3.143 3.476 -4.180 + 4387TIP3 H119470 3.174 3.398 -4.227 + 4387TIP3 H219471 3.227 3.524 -4.164 + 4388TIP3 OH219472 1.367 3.447 -3.853 + 4388TIP3 H119473 1.271 3.451 -3.870 + 4388TIP3 H219474 1.403 3.509 -3.920 + 4389TIP3 OH219475 1.372 3.337 -3.034 + 4389TIP3 H119476 1.300 3.310 -2.976 + 4389TIP3 H219477 1.323 3.391 -3.100 + 4390TIP3 OH219478 3.016 3.280 -2.855 + 4390TIP3 H119479 2.936 3.299 -2.907 + 4390TIP3 H219480 3.039 3.191 -2.887 + 4391TIP3 OH219481 2.360 3.430 -3.409 + 4391TIP3 H119482 2.291 3.362 -3.395 + 4391TIP3 H219483 2.421 3.383 -3.469 + 4392TIP3 OH219484 2.857 3.233 -3.362 + 4392TIP3 H119485 2.933 3.277 -3.405 + 4392TIP3 H219486 2.783 3.262 -3.417 + 4393TIP3 OH219487 3.066 3.339 -3.588 + 4393TIP3 H119488 3.148 3.304 -3.627 + 4393TIP3 H219489 3.095 3.429 -3.566 + 4394TIP3 OH219490 1.597 3.302 -3.653 + 4394TIP3 H119491 1.510 3.290 -3.697 + 4394TIP3 H219492 1.638 3.215 -3.668 + 4395TIP3 OH219493 1.475 3.256 -4.081 + 4395TIP3 H119494 1.532 3.322 -4.127 + 4395TIP3 H219495 1.439 3.310 -4.008 + 4396TIP3 OH219496 2.043 3.282 -3.666 + 4396TIP3 H119497 2.133 3.315 -3.679 + 4396TIP3 H219498 2.039 3.276 -3.570 + 4397TIP3 OH219499 2.601 3.289 -3.524 + 4397TIP3 H119500 2.628 3.274 -3.616 + 4397TIP3 H219501 2.564 3.202 -3.500 + 4398TIP3 OH219502 2.706 3.285 -3.919 + 4398TIP3 H119503 2.628 3.332 -3.952 + 4398TIP3 H219504 2.674 3.193 -3.917 + 4399TIP3 OH219505 1.642 3.427 -4.230 + 4399TIP3 H119506 1.700 3.371 -4.283 + 4399TIP3 H219507 1.706 3.480 -4.181 + 4400TIP3 OH219508 2.153 3.445 -3.959 + 4400TIP3 H119509 2.194 3.394 -3.888 + 4400TIP3 H219510 2.176 3.535 -3.930 + 4401TIP3 OH219511 1.574 3.324 -2.700 + 4401TIP3 H119512 1.536 3.242 -2.665 + 4401TIP3 H219513 1.667 3.312 -2.674 + 4402TIP3 OH219514 1.813 3.263 -2.527 + 4402TIP3 H119515 1.895 3.229 -2.567 + 4402TIP3 H219516 1.779 3.184 -2.484 + 4403TIP3 OH219517 2.626 3.174 -2.510 + 4403TIP3 H119518 2.629 3.133 -2.422 + 4403TIP3 H219519 2.720 3.171 -2.536 + 4404TIP3 OH219520 4.185 4.078 -3.321 + 4404TIP3 H119521 4.254 4.107 -3.259 + 4404TIP3 H219522 4.239 4.075 -3.401 + 4405TIP3 OH219523 3.523 4.082 -3.162 + 4405TIP3 H119524 3.512 4.008 -3.100 + 4405TIP3 H219525 3.582 4.139 -3.111 + 4406TIP3 OH219526 3.280 3.888 -3.758 + 4406TIP3 H119527 3.231 3.972 -3.756 + 4406TIP3 H219528 3.217 3.830 -3.804 + 4407TIP3 OH219529 3.380 4.137 -3.572 + 4407TIP3 H119530 3.374 4.054 -3.522 + 4407TIP3 H219531 3.448 4.112 -3.636 + 4408TIP3 OH219532 3.795 3.622 -3.497 + 4408TIP3 H119533 3.766 3.686 -3.565 + 4408TIP3 H219534 3.757 3.540 -3.534 + 4409TIP3 OH219535 3.414 3.878 -3.453 + 4409TIP3 H119536 3.475 3.825 -3.400 + 4409TIP3 H219537 3.416 3.830 -3.537 + 4410TIP3 OH219538 3.628 3.489 -3.092 + 4410TIP3 H119539 3.576 3.525 -3.165 + 4410TIP3 H219540 3.564 3.498 -3.019 + 4411TIP3 OH219541 3.869 4.264 -3.109 + 4411TIP3 H119542 3.796 4.326 -3.123 + 4411TIP3 H219543 3.944 4.325 -3.115 + 4412TIP3 OH219544 3.592 3.692 -3.313 + 4412TIP3 H119545 3.657 3.742 -3.260 + 4412TIP3 H219546 3.652 3.646 -3.376 + 4413TIP3 OH219547 4.031 3.237 -3.363 + 4413TIP3 H119548 4.010 3.142 -3.371 + 4413TIP3 H219549 3.944 3.273 -3.339 + 4414TIP3 OH219550 4.266 4.122 -3.912 + 4414TIP3 H119551 4.198 4.188 -3.936 + 4414TIP3 H219552 4.332 4.140 -3.979 + 4415TIP3 OH219553 4.291 3.967 -4.195 + 4415TIP3 H119554 4.373 3.967 -4.144 + 4415TIP3 H219555 4.297 3.888 -4.248 + 4416TIP3 OH219556 3.779 4.180 -3.595 + 4416TIP3 H119557 3.750 4.183 -3.689 + 4416TIP3 H219558 3.830 4.099 -3.596 + 4417TIP3 OH219559 3.848 4.061 -3.292 + 4417TIP3 H119560 3.898 4.109 -3.359 + 4417TIP3 H219561 3.842 4.130 -3.222 + 4418TIP3 OH219562 3.596 4.149 -2.887 + 4418TIP3 H119563 3.609 4.211 -2.811 + 4418TIP3 H219564 3.500 4.139 -2.885 + 4419TIP3 OH219565 3.643 4.090 -3.849 + 4419TIP3 H119566 3.628 4.166 -3.910 + 4419TIP3 H219567 3.589 4.021 -3.890 + 4420TIP3 OH219568 3.250 4.310 -2.981 + 4420TIP3 H119569 3.242 4.291 -3.076 + 4420TIP3 H219570 3.275 4.223 -2.945 + 4421TIP3 OH219571 3.759 3.332 -3.310 + 4421TIP3 H119572 3.681 3.331 -3.371 + 4421TIP3 H219573 3.729 3.396 -3.244 + 4422TIP3 OH219574 4.233 3.283 -2.864 + 4422TIP3 H119575 4.246 3.212 -2.799 + 4422TIP3 H219576 4.141 3.265 -2.893 + 4423TIP3 OH219577 4.207 3.573 -4.214 + 4423TIP3 H119578 4.162 3.538 -4.136 + 4423TIP3 H219579 4.230 3.491 -4.260 + 4424TIP3 OH219580 3.780 3.825 -3.152 + 4424TIP3 H119581 3.718 3.829 -3.076 + 4424TIP3 H219582 3.784 3.918 -3.181 + 4425TIP3 OH219583 3.799 3.857 -3.645 + 4425TIP3 H119584 3.702 3.857 -3.659 + 4425TIP3 H219585 3.828 3.838 -3.737 + 4426TIP3 OH219586 4.263 3.875 -3.715 + 4426TIP3 H119587 4.266 3.963 -3.757 + 4426TIP3 H219588 4.357 3.852 -3.706 + 4427TIP3 OH219589 4.254 3.922 -2.598 + 4427TIP3 H119590 4.198 3.842 -2.601 + 4427TIP3 H219591 4.340 3.882 -2.619 + 4428TIP3 OH219592 3.521 3.842 -2.969 + 4428TIP3 H119593 3.540 3.876 -2.881 + 4428TIP3 H219594 3.482 3.755 -2.948 + 4429TIP3 OH219595 3.888 3.578 -4.323 + 4429TIP3 H119596 3.862 3.560 -4.231 + 4429TIP3 H219597 3.815 3.637 -4.351 + 4430TIP3 OH219598 3.213 3.596 -3.588 + 4430TIP3 H119599 3.277 3.569 -3.520 + 4430TIP3 H219600 3.248 3.553 -3.668 + 4431TIP3 OH219601 3.355 3.631 -4.044 + 4431TIP3 H119602 3.414 3.683 -4.103 + 4431TIP3 H219603 3.290 3.698 -4.017 + 4432TIP3 OH219604 4.349 3.962 -3.027 + 4432TIP3 H119605 4.371 3.898 -3.098 + 4432TIP3 H219606 4.274 3.916 -2.986 + 4433TIP3 OH219607 3.526 3.722 -3.689 + 4433TIP3 H119608 3.439 3.738 -3.730 + 4433TIP3 H219609 3.551 3.636 -3.728 + 4434TIP3 OH219610 3.868 3.776 -3.909 + 4434TIP3 H119611 3.963 3.758 -3.919 + 4434TIP3 H219612 3.842 3.811 -3.996 + 4435TIP3 OH219613 3.731 3.868 -4.156 + 4435TIP3 H119614 3.670 3.818 -4.213 + 4435TIP3 H219615 3.804 3.889 -4.216 + 4436TIP3 OH219616 3.607 4.314 -2.676 + 4436TIP3 H119617 3.666 4.363 -2.616 + 4436TIP3 H219618 3.528 4.305 -2.618 + 4437TIP3 OH219619 3.682 3.482 -3.780 + 4437TIP3 H119620 3.630 3.418 -3.728 + 4437TIP3 H219621 3.766 3.435 -3.789 + 4438TIP3 OH219622 4.039 3.713 -3.179 + 4438TIP3 H119623 3.968 3.758 -3.130 + 4438TIP3 H219624 4.115 3.728 -3.119 + 4439TIP3 OH219625 4.070 4.330 -3.951 + 4439TIP3 H119626 3.995 4.288 -3.998 + 4439TIP3 H219627 4.043 4.325 -3.858 + 4440TIP3 OH219628 3.621 4.255 -3.387 + 4440TIP3 H119629 3.679 4.236 -3.463 + 4440TIP3 H219630 3.605 4.166 -3.352 + 4441TIP3 OH219631 3.310 4.079 -2.854 + 4441TIP3 H119632 3.319 4.039 -2.766 + 4441TIP3 H219633 3.237 4.029 -2.895 + 4442TIP3 OH219634 4.001 4.048 -2.649 + 4442TIP3 H119635 3.970 4.021 -2.737 + 4442TIP3 H219636 4.097 4.032 -2.655 + 4443TIP3 OH219637 3.422 4.086 -4.197 + 4443TIP3 H119638 3.476 4.155 -4.157 + 4443TIP3 H219639 3.332 4.111 -4.171 + 4444TIP3 OH219640 3.435 3.566 -2.888 + 4444TIP3 H119641 3.346 3.590 -2.919 + 4444TIP3 H219642 3.420 3.477 -2.852 + 4445TIP3 OH219643 3.581 -4.393 -4.007 + 4445TIP3 H119644 3.490 -4.357 -4.005 + 4445TIP3 H219645 3.629 -4.318 -4.045 + 4446TIP3 OH219646 4.331 3.593 -2.983 + 4446TIP3 H119647 4.388 3.522 -2.955 + 4446TIP3 H219648 4.276 3.547 -3.048 + 4447TIP3 OH219649 4.118 3.668 -3.803 + 4447TIP3 H119650 4.188 3.736 -3.794 + 4447TIP3 H219651 4.093 3.663 -3.711 + 4448TIP3 OH219652 4.169 3.791 -2.896 + 4448TIP3 H119653 4.186 3.830 -2.810 + 4448TIP3 H219654 4.231 3.716 -2.899 + 4449TIP3 OH219655 4.189 3.392 -3.696 + 4449TIP3 H119656 4.188 3.472 -3.642 + 4449TIP3 H219657 4.268 3.412 -3.750 + 4450TIP3 OH219658 3.775 3.506 -4.086 + 4450TIP3 H119659 3.753 3.564 -4.010 + 4450TIP3 H219660 3.844 3.450 -4.049 + 4451TIP3 OH219661 3.432 3.809 -4.261 + 4451TIP3 H119662 3.444 3.904 -4.241 + 4451TIP3 H219663 3.338 3.806 -4.287 + 4452TIP3 OH219664 3.360 4.306 -2.557 + 4452TIP3 H119665 3.349 4.210 -2.569 + 4452TIP3 H219666 3.284 4.345 -2.603 + 4453TIP3 OH219667 3.956 4.332 -2.610 + 4453TIP3 H119668 3.960 4.346 -2.707 + 4453TIP3 H219669 3.996 4.244 -2.601 + 4454TIP3 OH219670 3.423 4.028 -2.592 + 4454TIP3 H119671 3.500 3.968 -2.601 + 4454TIP3 H219672 3.421 4.042 -2.496 + 4455TIP3 OH219673 3.878 4.159 -4.079 + 4455TIP3 H119674 3.812 4.113 -4.026 + 4455TIP3 H219675 3.903 4.090 -4.143 + 4456TIP3 OH219676 3.799 3.934 -2.855 + 4456TIP3 H119677 3.740 4.009 -2.835 + 4456TIP3 H219678 3.858 3.973 -2.922 + 4457TIP3 OH219679 3.999 3.957 -4.270 + 4457TIP3 H119680 3.987 3.955 -4.366 + 4457TIP3 H219681 4.092 3.983 -4.263 + 4458TIP3 OH219682 4.277 4.197 -2.493 + 4458TIP3 H119683 4.348 4.175 -2.553 + 4458TIP3 H219684 4.252 4.109 -2.463 + 4459TIP3 OH219685 3.858 3.664 -2.740 + 4459TIP3 H119686 3.862 3.599 -2.812 + 4459TIP3 H219687 3.837 3.746 -2.788 + 4460TIP3 OH219688 3.889 3.515 -3.002 + 4460TIP3 H119689 3.934 3.563 -3.073 + 4460TIP3 H219690 3.797 3.510 -3.034 + 4461TIP3 OH219691 4.052 4.060 -2.977 + 4461TIP3 H119692 4.133 4.056 -3.029 + 4461TIP3 H219693 4.021 4.150 -2.994 + 4462TIP3 OH219694 3.667 3.851 -2.566 + 4462TIP3 H119695 3.617 3.767 -2.564 + 4462TIP3 H219696 3.751 3.823 -2.605 + 4463TIP3 OH219697 3.973 3.249 -2.961 + 4463TIP3 H119698 3.947 3.342 -2.977 + 4463TIP3 H219699 3.906 3.202 -3.016 + 4464TIP3 OH219700 4.103 3.694 -2.589 + 4464TIP3 H119701 4.069 3.670 -2.502 + 4464TIP3 H219702 4.027 3.671 -2.645 + 4465TIP3 OH219703 3.540 3.595 -2.579 + 4465TIP3 H119704 3.530 3.524 -2.645 + 4465TIP3 H219705 3.517 3.546 -2.497 + 4466TIP3 OH219706 3.945 3.194 -2.678 + 4466TIP3 H119707 4.005 3.118 -2.674 + 4466TIP3 H219708 3.941 3.208 -2.775 + 4467TIP3 OH219709 4.036 3.375 -2.485 + 4467TIP3 H119710 4.008 3.319 -2.560 + 4467TIP3 H219711 3.971 3.447 -2.488 + 4468TIP3 OH219712 3.274 4.187 -3.259 + 4468TIP3 H119713 3.281 4.200 -3.355 + 4468TIP3 H219714 3.365 4.160 -3.236 + 4469TIP3 OH219715 3.271 3.717 -2.634 + 4469TIP3 H119716 3.364 3.689 -2.638 + 4469TIP3 H219717 3.226 3.631 -2.633 + 4470TIP3 OH219718 3.352 3.529 -3.307 + 4470TIP3 H119719 3.390 3.454 -3.358 + 4470TIP3 H219720 3.425 3.593 -3.316 + 4471TIP3 OH219721 3.201 3.818 -3.253 + 4471TIP3 H119722 3.260 3.809 -3.330 + 4471TIP3 H219723 3.238 3.896 -3.210 + 4472TIP3 OH219724 3.243 3.465 -3.841 + 4472TIP3 H119725 3.152 3.454 -3.874 + 4472TIP3 H219726 3.289 3.506 -3.916 + 4473TIP3 OH219727 3.258 3.338 -3.026 + 4473TIP3 H119728 3.180 3.311 -2.976 + 4473TIP3 H219729 3.219 3.386 -3.101 + 4474TIP3 OH219730 4.252 3.407 -3.406 + 4474TIP3 H119731 4.172 3.353 -3.393 + 4474TIP3 H219732 4.295 3.362 -3.480 + 4475TIP3 OH219733 3.349 3.263 -4.090 + 4475TIP3 H119734 3.416 3.324 -4.127 + 4475TIP3 H219735 3.334 3.300 -4.002 + 4476TIP3 OH219736 3.930 3.293 -3.668 + 4476TIP3 H119737 4.026 3.311 -3.671 + 4476TIP3 H219738 3.917 3.276 -3.574 + 4477TIP3 OH219739 3.527 3.429 -4.233 + 4477TIP3 H119740 3.586 3.370 -4.283 + 4477TIP3 H219741 3.592 3.483 -4.184 + 4478TIP3 OH219742 4.062 3.446 -3.965 + 4478TIP3 H119743 4.065 3.388 -3.888 + 4478TIP3 H219744 4.061 3.534 -3.923 + 4479TIP3 OH219745 3.459 3.326 -2.696 + 4479TIP3 H119746 3.420 3.243 -2.664 + 4479TIP3 H219747 3.553 3.311 -2.674 + 4480TIP3 OH219748 3.700 3.264 -2.526 + 4480TIP3 H119749 3.782 3.228 -2.565 + 4480TIP3 H219750 3.664 3.184 -2.484 + 4481TIP3 OH219751 -3.161 -3.368 -1.741 + 4481TIP3 H119752 -3.159 -3.272 -1.728 + 4481TIP3 H219753 -3.237 -3.377 -1.801 + 4482TIP3 OH219754 -3.277 -3.422 -1.435 + 4482TIP3 H119755 -3.276 -3.477 -1.355 + 4482TIP3 H219756 -3.300 -3.486 -1.503 + 4483TIP3 OH219757 -2.913 -3.148 -1.603 + 4483TIP3 H119758 -2.944 -3.217 -1.543 + 4483TIP3 H219759 -2.869 -3.088 -1.540 + 4484TIP3 OH219760 -3.959 -3.003 -1.422 + 4484TIP3 H119761 -3.984 -3.095 -1.439 + 4484TIP3 H219762 -3.865 -3.014 -1.400 + 4485TIP3 OH219763 -4.199 -3.570 -1.855 + 4485TIP3 H119764 -4.260 -3.495 -1.861 + 4485TIP3 H219765 -4.259 -3.645 -1.845 + 4486TIP3 OH219766 -3.203 -2.613 -1.545 + 4486TIP3 H119767 -3.144 -2.682 -1.579 + 4486TIP3 H219768 -3.227 -2.649 -1.459 + 4487TIP3 OH219769 -3.427 -3.172 -1.378 + 4487TIP3 H119770 -3.392 -3.244 -1.434 + 4487TIP3 H219771 -3.345 -3.155 -1.326 + 4488TIP3 OH219772 -2.570 -4.018 -1.320 + 4488TIP3 H119773 -2.537 -3.971 -1.242 + 4488TIP3 H219774 -2.506 -3.987 -1.387 + 4489TIP3 OH219775 -3.099 -3.741 -1.326 + 4489TIP3 H119776 -3.077 -3.835 -1.325 + 4489TIP3 H219777 -3.105 -3.724 -1.421 + 4490TIP3 OH219778 -3.804 -3.941 -1.614 + 4490TIP3 H119779 -3.784 -3.857 -1.660 + 4490TIP3 H219780 -3.833 -3.996 -1.689 + 4491TIP3 OH219781 -3.011 -3.922 -1.784 + 4491TIP3 H119782 -2.950 -3.964 -1.720 + 4491TIP3 H219783 -2.947 -3.877 -1.842 + 4492TIP3 OH219784 -4.136 -3.626 -1.544 + 4492TIP3 H119785 -4.080 -3.697 -1.505 + 4492TIP3 H219786 -4.132 -3.652 -1.638 + 4493TIP3 OH219787 -3.603 -3.526 -1.611 + 4493TIP3 H119788 -3.526 -3.576 -1.579 + 4493TIP3 H219789 -3.646 -3.593 -1.669 + 4494TIP3 OH219790 -2.478 -3.851 -1.058 + 4494TIP3 H119791 -2.552 -3.796 -1.090 + 4494TIP3 H219792 -2.513 -3.886 -0.976 + 4495TIP3 OH219793 -3.916 -4.046 -1.202 + 4495TIP3 H119794 -3.959 -4.005 -1.278 + 4495TIP3 H219795 -3.985 -4.033 -1.134 + 4496TIP3 OH219796 -3.172 -3.084 -1.864 + 4496TIP3 H119797 -3.201 -3.102 -1.953 + 4496TIP3 H219798 -3.214 -2.999 -1.845 + 4497TIP3 OH219799 -3.627 -3.271 -1.192 + 4497TIP3 H119800 -3.698 -3.209 -1.166 + 4497TIP3 H219801 -3.562 -3.211 -1.234 + 4498TIP3 OH219802 -2.824 -4.014 -1.581 + 4498TIP3 H119803 -2.872 -4.059 -1.510 + 4498TIP3 H219804 -2.771 -3.950 -1.530 + 4499TIP3 OH219805 -3.967 -3.836 -1.419 + 4499TIP3 H119806 -3.899 -3.789 -1.366 + 4499TIP3 H219807 -3.910 -3.879 -1.486 + 4500TIP3 OH219808 -3.826 -3.081 -1.122 + 4500TIP3 H119809 -3.829 -2.987 -1.148 + 4500TIP3 H219810 -3.914 -3.090 -1.079 + 4501TIP3 OH219811 -4.185 -3.122 -2.024 + 4501TIP3 H119812 -4.263 -3.102 -2.078 + 4501TIP3 H219813 -4.189 -3.054 -1.954 + 4502TIP3 OH219814 -2.864 -2.983 -1.340 + 4502TIP3 H119815 -2.950 -2.940 -1.355 + 4502TIP3 H219816 -2.803 -2.925 -1.389 + 4503TIP3 OH219817 -2.808 -4.111 -1.181 + 4503TIP3 H119818 -2.888 -4.077 -1.224 + 4503TIP3 H219819 -2.741 -4.096 -1.250 + 4504TIP3 OH219820 -3.496 4.382 -1.473 + 4504TIP3 H119821 -3.501 4.285 -1.469 + 4504TIP3 H219822 -3.586 4.411 -1.448 + 4505TIP3 OH219823 -3.023 -2.772 -1.700 + 4505TIP3 H119824 -2.974 -2.853 -1.725 + 4505TIP3 H219825 -2.952 -2.705 -1.704 + 4506TIP3 OH219826 -2.876 -2.986 -1.838 + 4506TIP3 H119827 -2.930 -3.037 -1.900 + 4506TIP3 H219828 -2.874 -3.047 -1.762 + 4507TIP3 OH219829 -2.726 -3.105 -0.986 + 4507TIP3 H119830 -2.727 -3.167 -1.061 + 4507TIP3 H219831 -2.709 -3.020 -1.031 + 4508TIP3 OH219832 -3.297 -3.416 -2.016 + 4508TIP3 H119833 -3.361 -3.353 -2.054 + 4508TIP3 H219834 -3.223 -3.409 -2.079 + 4509TIP3 OH219835 -3.267 -3.595 -2.311 + 4509TIP3 H119836 -3.199 -3.565 -2.249 + 4509TIP3 H219837 -3.214 -3.653 -2.368 + 4510TIP3 OH219838 -2.547 -3.491 -1.193 + 4510TIP3 H119839 -2.614 -3.420 -1.186 + 4510TIP3 H219840 -2.495 -3.456 -1.269 + 4511TIP3 OH219841 -2.945 -3.417 -1.908 + 4511TIP3 H119842 -3.011 -3.393 -1.839 + 4511TIP3 H219843 -2.882 -3.469 -1.855 + 4512TIP3 OH219844 -2.961 -3.562 -1.025 + 4512TIP3 H119845 -2.954 -3.482 -0.970 + 4512TIP3 H219846 -3.022 -3.528 -1.093 + 4513TIP3 OH219847 -3.788 -3.334 -1.725 + 4513TIP3 H119848 -3.819 -3.378 -1.807 + 4513TIP3 H219849 -3.722 -3.398 -1.693 + 4514TIP3 OH219850 -3.651 -3.001 -1.455 + 4514TIP3 H119851 -3.655 -3.035 -1.546 + 4514TIP3 H219852 -3.569 -3.044 -1.422 + 4515TIP3 OH219853 -3.755 -3.448 -1.382 + 4515TIP3 H119854 -3.690 -3.458 -1.454 + 4515TIP3 H219855 -3.706 -3.394 -1.317 + 4516TIP3 OH219856 -3.154 -2.897 -1.323 + 4516TIP3 H119857 -3.132 -2.835 -1.251 + 4516TIP3 H219858 -3.155 -2.984 -1.278 + 4517TIP3 OH219859 -3.643 -3.026 -0.897 + 4517TIP3 H119860 -3.693 -2.959 -0.848 + 4517TIP3 H219861 -3.706 -3.050 -0.967 + 4518TIP3 OH219862 -3.049 -3.471 -2.162 + 4518TIP3 H119863 -3.002 -3.443 -2.080 + 4518TIP3 H219864 -2.999 -3.419 -2.230 + 4519TIP3 OH219865 -3.964 -3.383 -1.005 + 4519TIP3 H119866 -3.953 -3.329 -0.924 + 4519TIP3 H219867 -4.061 -3.395 -1.008 + 4520TIP3 OH219868 -3.307 -2.811 -1.805 + 4520TIP3 H119869 -3.252 -2.783 -1.730 + 4520TIP3 H219870 -3.352 -2.729 -1.831 + 4521TIP3 OH219871 -3.836 -2.808 -0.814 + 4521TIP3 H119872 -3.843 -2.803 -0.911 + 4521TIP3 H219873 -3.927 -2.826 -0.785 + 4522TIP3 OH219874 -2.731 -4.320 -2.241 + 4522TIP3 H119875 -2.770 -4.324 -2.152 + 4522TIP3 H219876 -2.651 -4.270 -2.221 + 4523TIP3 OH219877 -3.885 -3.463 -1.981 + 4523TIP3 H119878 -3.914 -3.386 -2.032 + 4523TIP3 H219879 -3.961 -3.522 -1.988 + 4524TIP3 OH219880 -2.566 -2.880 -2.363 + 4524TIP3 H119881 -2.550 -2.788 -2.335 + 4524TIP3 H219882 -2.480 -2.922 -2.341 + 4525TIP3 OH219883 -4.262 -3.210 -1.144 + 4525TIP3 H119884 -4.343 -3.198 -1.193 + 4525TIP3 H219885 -4.297 -3.254 -1.064 + 4526TIP3 OH219886 -4.286 -2.920 -1.415 + 4526TIP3 H119887 -4.191 -2.935 -1.407 + 4526TIP3 H219888 -4.301 -2.850 -1.350 + 4527TIP3 OH219889 -2.440 -2.838 -0.830 + 4527TIP3 H119890 -2.448 -2.930 -0.859 + 4527TIP3 H219891 -2.532 -2.817 -0.805 + 4528TIP3 OH219892 -3.378 -2.920 -0.954 + 4528TIP3 H119893 -3.369 -2.837 -0.902 + 4528TIP3 H219894 -3.468 -2.949 -0.930 + 4529TIP3 OH219895 -3.352 -2.537 -1.957 + 4529TIP3 H119896 -3.347 -2.528 -2.054 + 4529TIP3 H219897 -3.342 -2.445 -1.927 + 4530TIP3 OH219898 -3.976 -2.625 -1.794 + 4530TIP3 H119899 -3.953 -2.666 -1.709 + 4530TIP3 H219900 -4.057 -2.675 -1.814 + 4531TIP3 OH219901 -3.019 -2.591 -2.241 + 4531TIP3 H119902 -2.962 -2.657 -2.286 + 4531TIP3 H219903 -3.024 -2.629 -2.151 + 4532TIP3 OH219904 -3.079 -2.654 -1.963 + 4532TIP3 H119905 -3.173 -2.640 -1.943 + 4532TIP3 H219906 -3.058 -2.722 -1.896 + 4533TIP3 OH219907 -2.764 -3.710 -0.794 + 4533TIP3 H119908 -2.812 -3.668 -0.867 + 4533TIP3 H219909 -2.756 -3.802 -0.825 + 4534TIP3 OH219910 -4.071 -3.042 -0.975 + 4534TIP3 H119911 -4.037 -3.097 -0.903 + 4534TIP3 H219912 -4.141 -3.097 -1.015 + 4535TIP3 OH219913 -3.753 -4.222 -1.387 + 4535TIP3 H119914 -3.839 -4.231 -1.431 + 4535TIP3 H219915 -3.765 -4.136 -1.344 + 4536TIP3 OH219916 -3.290 -4.262 -1.031 + 4536TIP3 H119917 -3.270 -4.309 -0.950 + 4536TIP3 H219918 -3.385 -4.278 -1.040 + 4537TIP3 OH219919 -2.995 -3.864 -0.991 + 4537TIP3 H119920 -3.051 -3.874 -0.912 + 4537TIP3 H219921 -2.997 -3.768 -1.007 + 4538TIP3 OH219922 -2.895 -3.363 -2.362 + 4538TIP3 H119923 -2.913 -3.380 -2.457 + 4538TIP3 H219924 -2.801 -3.337 -2.366 + 4539TIP3 OH219925 -3.329 -3.993 -2.316 + 4539TIP3 H119926 -3.383 -4.004 -2.235 + 4539TIP3 H219927 -3.378 -4.054 -2.375 + 4540TIP3 OH219928 -3.767 -3.718 -1.263 + 4540TIP3 H119929 -3.819 -3.704 -1.182 + 4540TIP3 H219930 -3.757 -3.627 -1.295 + 4541TIP3 OH219931 -3.769 -3.710 -1.772 + 4541TIP3 H119932 -3.864 -3.717 -1.791 + 4541TIP3 H219933 -3.732 -3.726 -1.861 + 4542TIP3 OH219934 -3.207 -3.652 -1.898 + 4542TIP3 H119935 -3.247 -3.569 -1.930 + 4542TIP3 H219936 -3.138 -3.667 -1.965 + 4543TIP3 OH219937 -3.288 -3.632 -0.763 + 4543TIP3 H119938 -3.338 -3.707 -0.725 + 4543TIP3 H219939 -3.201 -3.642 -0.721 + 4544TIP3 OH219940 -3.123 -3.712 -1.618 + 4544TIP3 H119941 -3.150 -3.653 -1.691 + 4544TIP3 H219942 -3.101 -3.792 -1.669 + 4545TIP3 OH219943 -4.045 -3.685 -1.097 + 4545TIP3 H119944 -3.991 -3.647 -1.027 + 4545TIP3 H219945 -4.053 -3.778 -1.071 + 4546TIP3 OH219946 -3.690 -3.940 -2.420 + 4546TIP3 H119947 -3.723 -3.978 -2.337 + 4546TIP3 H219948 -3.769 -3.928 -2.473 + 4547TIP3 OH219949 -4.321 -3.928 -1.709 + 4547TIP3 H119950 -4.300 -3.964 -1.620 + 4547TIP3 H219951 -4.302 -4.002 -1.766 + 4548TIP3 OH219952 -4.213 -3.877 -2.124 + 4548TIP3 H119953 -4.155 -3.861 -2.201 + 4548TIP3 H219954 -4.300 -3.864 -2.164 + 4549TIP3 OH219955 -3.217 -3.545 -1.175 + 4549TIP3 H119956 -3.169 -3.616 -1.223 + 4549TIP3 H219957 -3.240 -3.590 -1.093 + 4550TIP3 OH219958 -3.490 -3.941 -1.675 + 4550TIP3 H119959 -3.583 -3.961 -1.653 + 4550TIP3 H219960 -3.445 -3.971 -1.594 + 4551TIP3 OH219961 -4.032 -3.826 -1.811 + 4551TIP3 H119962 -4.117 -3.821 -1.856 + 4551TIP3 H219963 -3.997 -3.911 -1.842 + 4552TIP3 OH219964 -3.672 -3.791 -2.035 + 4552TIP3 H119965 -3.575 -3.786 -2.029 + 4552TIP3 H219966 -3.694 -3.730 -2.106 + 4553TIP3 OH219967 -3.056 -4.033 -1.370 + 4553TIP3 H119968 -3.120 -4.035 -1.296 + 4553TIP3 H219969 -3.114 -4.063 -1.442 + 4554TIP3 OH219970 -3.826 -3.668 -2.261 + 4554TIP3 H119971 -3.882 -3.700 -2.334 + 4554TIP3 H219972 -3.743 -3.647 -2.307 + 4555TIP3 OH219973 -2.752 -2.455 -0.704 + 4555TIP3 H119974 -2.727 -2.412 -0.787 + 4555TIP3 H219975 -2.682 -2.425 -0.644 + 4556TIP3 OH219976 -3.952 -3.200 -0.766 + 4556TIP3 H119977 -3.889 -3.196 -0.691 + 4556TIP3 H219978 -4.036 -3.188 -0.716 + 4557TIP3 OH219979 -3.390 -3.694 -1.490 + 4557TIP3 H119980 -3.316 -3.734 -1.537 + 4557TIP3 H219981 -3.404 -3.756 -1.416 + 4558TIP3 OH219982 -3.880 -4.061 -1.866 + 4558TIP3 H119983 -3.921 -4.148 -1.853 + 4558TIP3 H219984 -3.794 -4.084 -1.903 + 4559TIP3 OH219985 -3.493 -3.851 -1.262 + 4559TIP3 H119986 -3.567 -3.789 -1.263 + 4559TIP3 H219987 -3.441 -3.823 -1.184 + 4560TIP3 OH219988 -3.479 -3.208 -2.076 + 4560TIP3 H119989 -3.555 -3.260 -2.110 + 4560TIP3 H219990 -3.497 -3.204 -1.979 + 4561TIP3 OH219991 -2.741 -3.282 -1.215 + 4561TIP3 H119992 -2.697 -3.227 -1.281 + 4561TIP3 H219993 -2.829 -3.292 -1.255 + 4562TIP3 OH219994 -3.061 -3.931 -2.313 + 4562TIP3 H119995 -3.159 -3.938 -2.310 + 4562TIP3 H219996 -3.041 -3.863 -2.246 + 4563TIP3 OH219997 -3.320 -3.212 -0.942 + 4563TIP3 H119998 -3.341 -3.238 -0.852 + 4563TIP3 H219999 -3.342 -3.117 -0.943 + 4564TIP3 OH220000 -2.996 -3.749 -2.099 + 4564TIP3 H120001 -2.910 -3.763 -2.054 + 4564TIP3 H220002 -2.985 -3.659 -2.135 + 4565TIP3 OH220003 -3.985 -3.314 -1.485 + 4565TIP3 H120004 -3.945 -3.288 -1.570 + 4565TIP3 H220005 -3.909 -3.363 -1.446 + 4566TIP3 OH220006 -3.238 -3.073 -2.183 + 4566TIP3 H120007 -3.263 -2.987 -2.144 + 4566TIP3 H220008 -3.313 -3.128 -2.155 + 4567TIP3 OH220009 -4.243 -3.431 -0.941 + 4567TIP3 H120010 -4.227 -3.491 -0.866 + 4567TIP3 H220011 -4.295 -3.486 -1.002 + 4568TIP3 OH220012 -3.542 -3.496 -0.772 + 4568TIP3 H120013 -3.567 -3.515 -0.864 + 4568TIP3 H220014 -3.448 -3.521 -0.774 + 4569TIP3 OH220015 -3.089 -2.955 -0.995 + 4569TIP3 H120016 -3.185 -2.940 -1.002 + 4569TIP3 H220017 -3.069 -2.923 -0.905 + 4570TIP3 OH220018 -2.534 -3.746 -2.118 + 4570TIP3 H120019 -2.591 -3.764 -2.196 + 4570TIP3 H220020 -2.522 -3.650 -2.131 + 4571TIP3 OH220021 -2.490 -3.144 -0.838 + 4571TIP3 H120022 -2.583 -3.118 -0.857 + 4571TIP3 H220023 -2.457 -3.158 -0.929 + 4572TIP3 OH220024 -2.724 -2.888 -2.117 + 4572TIP3 H120025 -2.737 -2.958 -2.052 + 4572TIP3 H220026 -2.656 -2.924 -2.175 + 4573TIP3 OH220027 -2.987 -3.352 -1.367 + 4573TIP3 H120028 -3.080 -3.365 -1.393 + 4573TIP3 H220029 -2.943 -3.422 -1.418 + 4574TIP3 OH220030 -3.729 -2.941 -1.764 + 4574TIP3 H120031 -3.684 -2.857 -1.778 + 4574TIP3 H220032 -3.819 -2.920 -1.793 + 4575TIP3 OH220033 -4.155 -3.447 -2.289 + 4575TIP3 H120034 -4.081 -3.392 -2.256 + 4575TIP3 H220035 -4.227 -3.384 -2.282 + 4576TIP3 OH220036 -3.545 -3.174 -1.806 + 4576TIP3 H120037 -3.569 -3.082 -1.790 + 4576TIP3 H220038 -3.616 -3.222 -1.761 + 4577TIP3 OH220039 -3.527 -2.746 -1.169 + 4577TIP3 H120040 -3.470 -2.673 -1.198 + 4577TIP3 H220041 -3.464 -2.798 -1.116 + 4578TIP3 OH220042 -3.682 -2.652 -1.845 + 4578TIP3 H120043 -3.777 -2.636 -1.838 + 4578TIP3 H220044 -3.646 -2.564 -1.821 + 4579TIP3 OH220045 -3.187 -3.174 -1.215 + 4579TIP3 H120046 -3.211 -3.199 -1.124 + 4579TIP3 H220047 -3.109 -3.230 -1.232 + 4580TIP3 OH220048 -2.971 -3.043 -2.322 + 4580TIP3 H120049 -2.925 -3.084 -2.246 + 4580TIP3 H220050 -3.063 -3.057 -2.293 + 4581TIP3 OH220051 -2.898 -2.712 -0.968 + 4581TIP3 H120052 -2.970 -2.757 -1.017 + 4581TIP3 H220053 -2.878 -2.637 -1.027 + 4582TIP3 OH220054 -2.496 -2.615 -2.268 + 4582TIP3 H120055 -2.426 -2.550 -2.286 + 4582TIP3 H220056 -2.572 -2.554 -2.263 + 4583TIP3 OH220057 -4.103 -3.956 -1.012 + 4583TIP3 H120058 -4.191 -3.916 -1.006 + 4583TIP3 H220059 -4.117 -4.042 -0.965 + 4584TIP3 OH220060 -2.874 -3.182 -2.083 + 4584TIP3 H120061 -2.898 -3.254 -2.021 + 4584TIP3 H220062 -2.777 -3.181 -2.073 + 4585TIP3 OH220063 -4.129 -2.801 -1.160 + 4585TIP3 H120064 -4.103 -2.893 -1.147 + 4585TIP3 H220065 -4.097 -2.762 -1.077 + 4586TIP3 OH220066 -3.546 -2.937 -2.464 + 4586TIP3 H120067 -3.514 -3.016 -2.512 + 4586TIP3 H220068 -3.586 -2.977 -2.385 + 4587TIP3 OH220069 -3.663 -2.986 -2.190 + 4587TIP3 H120070 -3.609 -3.038 -2.129 + 4587TIP3 H220071 -3.647 -2.894 -2.159 + 4588TIP3 OH220072 -3.989 -3.243 -2.159 + 4588TIP3 H120073 -4.057 -3.202 -2.101 + 4588TIP3 H220074 -3.937 -3.164 -2.181 + 4589TIP3 OH220075 -3.217 -4.007 -1.140 + 4589TIP3 H120076 -3.152 -3.980 -1.074 + 4589TIP3 H220077 -3.250 -4.092 -1.106 + 4590TIP3 OH220078 -3.136 -4.056 -2.026 + 4590TIP3 H120079 -3.128 -3.996 -2.102 + 4590TIP3 H220080 -3.099 -4.002 -1.954 + 4591TIP3 OH220081 -3.368 -2.825 -2.130 + 4591TIP3 H120082 -3.447 -2.772 -2.110 + 4591TIP3 H220083 -3.327 -2.773 -2.200 + 4592TIP3 OH220084 -3.403 -3.852 -1.927 + 4592TIP3 H120085 -3.329 -3.789 -1.914 + 4592TIP3 H220086 -3.432 -3.867 -1.835 + 4593TIP3 OH220087 -3.372 -3.762 -1.013 + 4593TIP3 H120088 -3.360 -3.710 -0.931 + 4593TIP3 H220089 -3.313 -3.837 -0.998 + 4594TIP3 OH220090 -3.332 -4.174 -1.828 + 4594TIP3 H120091 -3.364 -4.099 -1.774 + 4594TIP3 H220092 -3.275 -4.128 -1.893 + 4595TIP3 OH220093 -3.647 -2.714 -2.129 + 4595TIP3 H120094 -3.651 -2.633 -2.184 + 4595TIP3 H220095 -3.658 -2.680 -2.039 + 4596TIP3 OH220096 -3.776 -4.050 -2.175 + 4596TIP3 H120097 -3.771 -3.967 -2.124 + 4596TIP3 H220098 -3.688 -4.088 -2.153 + 4597TIP3 OH220099 -2.732 -3.963 -0.932 + 4597TIP3 H120100 -2.828 -3.953 -0.943 + 4597TIP3 H220101 -2.709 -3.987 -1.023 + 4598TIP3 OH220102 -2.890 -3.574 -1.522 + 4598TIP3 H120103 -2.971 -3.621 -1.550 + 4598TIP3 H220104 -2.840 -3.645 -1.476 + 4599TIP3 OH220105 -3.932 -2.959 -2.275 + 4599TIP3 H120106 -3.857 -2.914 -2.234 + 4599TIP3 H220107 -3.885 -3.014 -2.339 + 4600TIP3 OH220108 -4.119 -3.749 -2.356 + 4600TIP3 H120109 -4.105 -3.654 -2.342 + 4600TIP3 H220110 -4.192 -3.753 -2.419 + 4601TIP3 OH220111 -2.799 -2.680 -1.373 + 4601TIP3 H120112 -2.798 -2.600 -1.429 + 4601TIP3 H220113 -2.705 -2.701 -1.367 + 4602TIP3 OH220114 -4.078 -4.237 -1.465 + 4602TIP3 H120115 -4.058 -4.259 -1.557 + 4602TIP3 H220116 -4.112 -4.322 -1.433 + 4603TIP3 OH220117 -4.138 -2.883 -1.859 + 4603TIP3 H120118 -4.228 -2.846 -1.854 + 4603TIP3 H220119 -4.103 -2.841 -1.939 + 4604TIP3 OH220120 -4.214 -2.604 -0.738 + 4604TIP3 H120121 -4.150 -2.604 -0.664 + 4604TIP3 H220122 -4.215 -2.701 -0.752 + 4605TIP3 OH220123 -3.726 -2.691 -0.565 + 4605TIP3 H120124 -3.657 -2.755 -0.543 + 4605TIP3 H220125 -3.750 -2.718 -0.655 + 4606TIP3 OH220126 -3.322 -2.765 -2.415 + 4606TIP3 H120127 -3.398 -2.827 -2.423 + 4606TIP3 H220128 -3.251 -2.821 -2.451 + 4607TIP3 OH220129 -3.084 -2.863 -0.704 + 4607TIP3 H120130 -3.117 -2.947 -0.668 + 4607TIP3 H220131 -3.011 -2.842 -0.643 + 4608TIP3 OH220132 -2.861 -2.777 -2.405 + 4608TIP3 H120133 -2.843 -2.854 -2.347 + 4608TIP3 H220134 -2.778 -2.773 -2.457 + 4609TIP3 OH220135 -4.199 -3.200 -0.676 + 4609TIP3 H120136 -4.189 -3.289 -0.711 + 4609TIP3 H220137 -4.287 -3.174 -0.706 + 4610TIP3 OH220138 -3.781 -3.195 -2.429 + 4610TIP3 H120139 -3.761 -3.252 -2.353 + 4610TIP3 H220140 -3.695 -3.195 -2.475 + 4611TIP3 OH220141 -3.541 -3.217 -0.696 + 4611TIP3 H120142 -3.568 -3.182 -0.783 + 4611TIP3 H220143 -3.532 -3.313 -0.712 + 4612TIP3 OH220144 -3.259 -3.061 -2.468 + 4612TIP3 H120145 -3.259 -3.064 -2.371 + 4612TIP3 H220146 -3.261 -3.157 -2.489 + 4613TIP3 OH220147 -3.000 -3.253 -0.959 + 4613TIP3 H120148 -2.920 -3.201 -0.978 + 4613TIP3 H220149 -3.067 -3.182 -0.962 + 4614TIP3 OH220150 -4.136 -3.528 -0.701 + 4614TIP3 H120151 -4.057 -3.584 -0.714 + 4614TIP3 H220152 -4.123 -3.499 -0.610 + 4615TIP3 OH220153 -3.675 -3.383 -2.197 + 4615TIP3 H120154 -3.733 -3.435 -2.139 + 4615TIP3 H220155 -3.642 -3.452 -2.259 + 4616TIP3 OH220156 -3.761 -3.610 -0.982 + 4616TIP3 H120157 -3.803 -3.530 -0.947 + 4616TIP3 H220158 -3.688 -3.572 -1.033 + 4617TIP3 OH220159 -3.576 -3.583 -2.370 + 4617TIP3 H120160 -3.578 -3.574 -2.467 + 4617TIP3 H220161 -3.480 -3.588 -2.353 + 4618TIP3 OH220162 -3.220 -3.338 -0.616 + 4618TIP3 H120163 -3.129 -3.355 -0.646 + 4618TIP3 H220164 -3.242 -3.422 -0.573 + 4619TIP3 OH220165 -2.625 -3.332 -2.438 + 4619TIP3 H120166 -2.636 -3.373 -2.525 + 4619TIP3 H220167 -2.635 -3.237 -2.461 + 4620TIP3 OH220168 -3.694 -3.882 -0.859 + 4620TIP3 H120169 -3.681 -3.946 -0.932 + 4620TIP3 H220170 -3.712 -3.800 -0.909 + 4621TIP3 OH220171 -3.652 -4.038 -1.117 + 4621TIP3 H120172 -3.599 -3.982 -1.178 + 4621TIP3 H220173 -3.743 -4.026 -1.152 + 4622TIP3 OH220174 -3.507 -3.490 -1.071 + 4622TIP3 H120175 -3.421 -3.499 -1.114 + 4622TIP3 H220176 -3.533 -3.401 -1.101 + 4623TIP3 OH220177 -3.046 -3.693 -0.593 + 4623TIP3 H120178 -3.023 -3.786 -0.578 + 4623TIP3 H220179 -2.958 -3.652 -0.598 + 4624TIP3 OH220180 -2.948 -3.415 -0.745 + 4624TIP3 H120181 -2.981 -3.353 -0.813 + 4624TIP3 H220182 -2.857 -3.428 -0.779 + 4625TIP3 OH220183 -3.879 -3.690 -0.681 + 4625TIP3 H120184 -3.930 -3.773 -0.679 + 4625TIP3 H220185 -3.795 -3.720 -0.720 + 4626TIP3 OH220186 -3.607 -4.277 -0.994 + 4626TIP3 H120187 -3.591 -4.188 -1.030 + 4626TIP3 H220188 -3.699 -4.287 -1.019 + 4627TIP3 OH220189 -3.457 -3.844 -0.699 + 4627TIP3 H120190 -3.487 -3.871 -0.611 + 4627TIP3 H220191 -3.538 -3.864 -0.751 + 4628TIP3 OH220192 -3.198 -3.945 -0.801 + 4628TIP3 H120193 -3.287 -3.931 -0.764 + 4628TIP3 H220194 -3.160 -4.010 -0.739 + 4629TIP3 OH220195 -3.027 -4.137 -0.633 + 4629TIP3 H120196 -3.040 -4.224 -0.594 + 4629TIP3 H220197 -3.039 -4.077 -0.558 + 4630TIP3 OH220198 -4.011 -3.951 -0.693 + 4630TIP3 H120199 -4.024 -4.022 -0.758 + 4630TIP3 H220200 -4.037 -3.994 -0.610 + 4631TIP3 OH220201 -3.495 -4.146 -0.589 + 4631TIP3 H120202 -3.516 -4.229 -0.636 + 4631TIP3 H220203 -3.580 -4.100 -0.585 + 4632TIP3 OH220204 -3.599 -2.461 -2.261 + 4632TIP3 H120205 -3.504 -2.448 -2.247 + 4632TIP3 H220206 -3.611 -2.414 -2.344 + 4633TIP3 OH220207 -4.199 -2.970 -2.352 + 4633TIP3 H120208 -4.121 -2.975 -2.294 + 4633TIP3 H220209 -4.216 -3.063 -2.373 + 4634TIP3 OH220210 -4.272 -2.690 -1.640 + 4634TIP3 H120211 -4.276 -2.780 -1.603 + 4634TIP3 H220212 -4.243 -2.639 -1.564 + 4635TIP3 OH220213 -2.513 -2.540 -1.334 + 4635TIP3 H120214 -2.501 -2.586 -1.249 + 4635TIP3 H220215 -2.423 -2.545 -1.369 + 4636TIP3 OH220216 -2.528 -2.627 -1.041 + 4636TIP3 H120217 -2.576 -2.701 -1.084 + 4636TIP3 H220218 -2.467 -2.678 -0.985 + 4637TIP3 OH220219 -2.726 -3.084 -0.616 + 4637TIP3 H120220 -2.814 -3.075 -0.576 + 4637TIP3 H220221 -2.680 -3.003 -0.587 + 4638TIP3 OH220222 -2.585 -3.195 -2.044 + 4638TIP3 H120223 -2.495 -3.162 -2.026 + 4638TIP3 H220224 -2.594 -3.258 -1.970 + 4639TIP3 OH220225 -2.541 -3.400 -1.850 + 4639TIP3 H120226 -2.606 -3.454 -1.802 + 4639TIP3 H220227 -2.472 -3.384 -1.782 + 4640TIP3 OH220228 -2.695 -2.853 -1.115 + 4640TIP3 H120229 -2.778 -2.821 -1.075 + 4640TIP3 H220230 -2.725 -2.889 -1.201 + 4641TIP3 OH220231 -2.513 -3.455 -2.189 + 4641TIP3 H120232 -2.565 -3.423 -2.266 + 4641TIP3 H220233 -2.527 -3.382 -2.126 + 4642TIP3 OH220234 -2.690 -3.698 -2.363 + 4642TIP3 H120235 -2.660 -3.638 -2.432 + 4642TIP3 H220236 -2.712 -3.779 -2.412 + 4643TIP3 OH220237 -2.750 -3.584 -1.765 + 4643TIP3 H120238 -2.755 -3.679 -1.781 + 4643TIP3 H220239 -2.784 -3.575 -1.674 + 4644TIP3 OH220240 -2.687 -3.393 -0.849 + 4644TIP3 H120241 -2.612 -3.453 -0.834 + 4644TIP3 H220242 -2.643 -3.310 -0.872 + 4645TIP3 OH220243 -2.532 -3.584 -0.725 + 4645TIP3 H120244 -2.610 -3.637 -0.751 + 4645TIP3 H220245 -2.461 -3.650 -0.729 + 4646TIP3 OH220246 -2.745 -3.969 -2.446 + 4646TIP3 H120247 -2.685 -4.012 -2.383 + 4646TIP3 H220248 -2.827 -4.019 -2.434 + 4647TIP3 OH220249 -2.765 -3.828 -1.946 + 4647TIP3 H120250 -2.746 -3.924 -1.940 + 4647TIP3 H220251 -2.682 -3.797 -1.986 + 4648TIP3 OH220252 -2.737 -3.774 -1.406 + 4648TIP3 H120253 -2.640 -3.766 -1.409 + 4648TIP3 H220254 -2.751 -3.774 -1.310 + 4649TIP3 OH220255 -2.723 -3.705 -1.120 + 4649TIP3 H120256 -2.806 -3.662 -1.095 + 4649TIP3 H220257 -2.667 -3.629 -1.144 + 4650TIP3 OH220258 -4.285 -3.840 -0.760 + 4650TIP3 H120259 -4.196 -3.880 -0.758 + 4650TIP3 H220260 -4.344 -3.914 -0.739 + 4651TIP3 OH220261 -2.507 -4.277 -0.543 + 4651TIP3 H120262 -2.455 -4.355 -0.566 + 4651TIP3 H220263 -2.505 -4.218 -0.621 + 4652TIP3 OH220264 -2.733 -4.099 -1.937 + 4652TIP3 H120265 -2.708 -4.149 -1.857 + 4652TIP3 H220266 -2.795 -4.161 -1.980 + 4653TIP3 OH220267 -4.195 -3.991 -1.457 + 4653TIP3 H120268 -4.160 -4.082 -1.444 + 4653TIP3 H220269 -4.118 -3.937 -1.432 + 4654TIP3 OH220270 -4.312 -3.741 -1.352 + 4654TIP3 H120271 -4.292 -3.797 -1.428 + 4654TIP3 H220272 -4.316 -3.654 -1.392 + 4655TIP3 OH220273 -2.528 -4.112 -0.758 + 4655TIP3 H120274 -2.612 -4.064 -0.751 + 4655TIP3 H220275 -2.536 -4.146 -0.849 + 4656TIP3 OH220276 -2.521 -4.056 -2.280 + 4656TIP3 H120277 -2.502 -4.143 -2.321 + 4656TIP3 H220278 -2.434 -4.015 -2.273 + 4657TIP3 OH220279 -4.316 -4.107 -2.005 + 4657TIP3 H120280 -4.399 -4.070 -2.037 + 4657TIP3 H220281 -4.253 -4.038 -2.035 + 4658TIP3 OH220282 -2.828 -2.564 -1.751 + 4658TIP3 H120283 -2.784 -2.592 -1.833 + 4658TIP3 H220284 -2.753 -2.538 -1.697 + 4659TIP3 OH220285 -4.290 -4.163 -1.170 + 4659TIP3 H120286 -4.346 -4.221 -1.114 + 4659TIP3 H220287 -4.331 -4.171 -1.257 + 4660TIP3 OH220288 -4.118 -2.862 -0.703 + 4660TIP3 H120289 -4.169 -2.926 -0.754 + 4660TIP3 H220290 -4.132 -2.896 -0.612 + 4661TIP3 OH220291 -3.802 -2.797 -1.113 + 4661TIP3 H120292 -3.832 -2.712 -1.151 + 4661TIP3 H220293 -3.706 -2.789 -1.130 + 4662TIP3 OH220294 -3.353 -2.667 -0.812 + 4662TIP3 H120295 -3.335 -2.685 -0.719 + 4662TIP3 H220296 -3.270 -2.623 -0.839 + 4663TIP3 OH220297 -3.125 -2.522 -0.889 + 4663TIP3 H120298 -3.054 -2.583 -0.915 + 4663TIP3 H220299 -3.092 -2.491 -0.802 + 4664TIP3 OH220300 -2.666 -4.277 -0.968 + 4664TIP3 H120301 -2.716 -4.215 -1.024 + 4664TIP3 H220302 -2.641 -4.343 -1.035 + 4665TIP3 OH220303 -4.071 -2.493 -1.089 + 4665TIP3 H120304 -4.139 -2.441 -1.137 + 4665TIP3 H220305 -4.101 -2.484 -0.998 + 4666TIP3 OH220306 -3.819 -2.525 -1.225 + 4666TIP3 H120307 -3.905 -2.505 -1.183 + 4666TIP3 H220308 -3.814 -2.458 -1.295 + 4667TIP3 OH220309 -3.343 -2.526 -1.269 + 4667TIP3 H120310 -3.378 -2.480 -1.347 + 4667TIP3 H220311 -3.331 -2.451 -1.207 + 4668TIP3 OH220312 -3.108 -2.655 -1.175 + 4668TIP3 H120313 -3.191 -2.618 -1.211 + 4668TIP3 H220314 -3.048 -2.579 -1.181 + 4669TIP3 OH220315 -2.858 -2.482 -1.158 + 4669TIP3 H120316 -2.858 -2.388 -1.184 + 4669TIP3 H220317 -2.826 -2.524 -1.239 + 4670TIP3 OH220318 -4.128 -2.621 -1.392 + 4670TIP3 H120319 -4.133 -2.662 -1.304 + 4670TIP3 H220320 -4.048 -2.663 -1.428 + 4671TIP3 OH220321 -3.910 -2.743 -1.538 + 4671TIP3 H120322 -3.923 -2.837 -1.513 + 4671TIP3 H220323 -3.819 -2.727 -1.508 + 4672TIP3 OH220324 -3.633 -2.701 -1.453 + 4672TIP3 H120325 -3.611 -2.793 -1.477 + 4672TIP3 H220326 -3.622 -2.705 -1.357 + 4673TIP3 OH220327 -3.301 -4.112 -1.526 + 4673TIP3 H120328 -3.363 -4.182 -1.497 + 4673TIP3 H220329 -3.239 -4.161 -1.582 + 4674TIP3 OH220330 -2.772 -4.332 -1.480 + 4674TIP3 H120331 -2.712 -4.289 -1.544 + 4674TIP3 H220332 -2.859 -4.303 -1.512 + 4675TIP3 OH220333 -2.579 -4.224 -1.699 + 4675TIP3 H120334 -2.519 -4.245 -1.771 + 4675TIP3 H220335 -2.557 -4.130 -1.683 + 4676TIP3 OH220336 -4.073 -4.282 -1.793 + 4676TIP3 H120337 -4.160 -4.317 -1.816 + 4676TIP3 H220338 -4.026 -4.359 -1.760 + 4677TIP3 OH220339 -4.208 -4.301 -2.186 + 4677TIP3 H120340 -4.169 -4.235 -2.246 + 4677TIP3 H220341 -4.259 -4.244 -2.126 + 4678TIP3 OH220342 -3.615 -4.219 -1.761 + 4678TIP3 H120343 -3.523 -4.233 -1.788 + 4678TIP3 H220344 -3.634 -4.298 -1.708 + 4679TIP3 OH220345 -3.062 -4.264 -1.631 + 4679TIP3 H120346 -3.025 -4.261 -1.720 + 4679TIP3 H220347 -3.072 -4.359 -1.613 + 4680TIP3 OH220348 -2.950 -4.272 -2.031 + 4680TIP3 H120349 -3.025 -4.213 -2.054 + 4680TIP3 H220350 -2.989 -4.360 -2.037 + 4681TIP3 OH220351 -4.189 -2.692 -2.083 + 4681TIP3 H120352 -4.249 -2.710 -2.156 + 4681TIP3 H220353 -4.182 -2.596 -2.086 + 4682TIP3 OH220354 -4.009 -4.113 -2.326 + 4682TIP3 H120355 -3.944 -4.157 -2.383 + 4682TIP3 H220356 -3.950 -4.070 -2.261 + 4683TIP3 OH220357 -3.493 -4.059 -2.095 + 4683TIP3 H120358 -3.482 -4.143 -2.046 + 4683TIP3 H220359 -3.470 -3.991 -2.029 + 4684TIP3 OH220360 -3.297 -2.515 -2.250 + 4684TIP3 H120361 -3.200 -2.511 -2.256 + 4684TIP3 H220362 -3.315 -2.581 -2.319 + 4685TIP3 OH220363 -2.647 -2.610 -1.994 + 4685TIP3 H120364 -2.669 -2.693 -2.039 + 4685TIP3 H220365 -2.650 -2.546 -2.067 + 4686TIP3 OH220366 -4.106 -4.171 -0.847 + 4686TIP3 H120367 -4.160 -4.238 -0.800 + 4686TIP3 H220368 -4.026 -4.224 -0.861 + 4687TIP3 OH220369 -3.808 -4.278 -0.587 + 4687TIP3 H120370 -3.722 -4.304 -0.627 + 4687TIP3 H220371 -3.828 -4.355 -0.533 + 4688TIP3 OH220372 -4.013 -2.593 -2.386 + 4688TIP3 H120373 -4.040 -2.574 -2.295 + 4688TIP3 H220374 -3.940 -2.657 -2.373 + 4689TIP3 OH220375 -2.697 -2.734 -0.753 + 4689TIP3 H120376 -2.768 -2.753 -0.817 + 4689TIP3 H220377 -2.712 -2.640 -0.737 + 4690TIP3 OH220378 -1.272 -3.367 -1.745 + 4690TIP3 H120379 -1.276 -3.272 -1.727 + 4690TIP3 H220380 -1.353 -3.380 -1.797 + 4691TIP3 OH220381 -1.388 -3.423 -1.436 + 4691TIP3 H120382 -1.390 -3.475 -1.354 + 4691TIP3 H220383 -1.419 -3.488 -1.501 + 4692TIP3 OH220384 -2.143 -3.464 -1.270 + 4692TIP3 H120385 -2.146 -3.537 -1.206 + 4692TIP3 H220386 -2.074 -3.408 -1.232 + 4693TIP3 OH220387 -1.019 -3.146 -1.602 + 4693TIP3 H120388 -1.057 -3.217 -1.549 + 4693TIP3 H220389 -0.993 -3.084 -1.531 + 4694TIP3 OH220390 -2.060 -2.991 -1.420 + 4694TIP3 H120391 -2.106 -3.075 -1.440 + 4694TIP3 H220392 -1.972 -3.023 -1.398 + 4695TIP3 OH220393 -2.376 -3.665 -1.881 + 4695TIP3 H120394 -2.409 -3.575 -1.864 + 4695TIP3 H220395 -2.453 -3.707 -1.921 + 4696TIP3 OH220396 -2.300 -3.418 -1.701 + 4696TIP3 H120397 -2.285 -3.489 -1.636 + 4696TIP3 H220398 -2.211 -3.402 -1.735 + 4697TIP3 OH220399 -1.308 -2.606 -1.544 + 4697TIP3 H120400 -1.257 -2.684 -1.573 + 4697TIP3 H220401 -1.346 -2.638 -1.461 + 4698TIP3 OH220402 -1.539 -3.172 -1.380 + 4698TIP3 H120403 -1.506 -3.245 -1.434 + 4698TIP3 H220404 -1.460 -3.156 -1.325 + 4699TIP3 OH220405 -0.685 -4.017 -1.322 + 4699TIP3 H120406 -0.653 -3.974 -1.241 + 4699TIP3 H220407 -0.619 -3.985 -1.386 + 4700TIP3 OH220408 -1.211 -3.740 -1.326 + 4700TIP3 H120409 -1.192 -3.836 -1.325 + 4700TIP3 H220410 -1.221 -3.724 -1.421 + 4701TIP3 OH220411 -1.916 -3.941 -1.617 + 4701TIP3 H120412 -1.899 -3.856 -1.661 + 4701TIP3 H220413 -1.949 -3.994 -1.692 + 4702TIP3 OH220414 -1.126 -3.922 -1.784 + 4702TIP3 H120415 -1.066 -3.965 -1.720 + 4702TIP3 H220416 -1.062 -3.877 -1.841 + 4703TIP3 OH220417 -2.245 -3.666 -1.567 + 4703TIP3 H120418 -2.183 -3.713 -1.510 + 4703TIP3 H220419 -2.234 -3.713 -1.652 + 4704TIP3 OH220420 -1.706 -3.525 -1.625 + 4704TIP3 H120421 -1.636 -3.580 -1.583 + 4704TIP3 H220422 -1.757 -3.592 -1.672 + 4705TIP3 OH220423 -0.592 -3.849 -1.059 + 4705TIP3 H120424 -0.668 -3.796 -1.089 + 4705TIP3 H220425 -0.627 -3.886 -0.976 + 4706TIP3 OH220426 -2.036 -4.057 -1.202 + 4706TIP3 H120427 -2.068 -4.000 -1.273 + 4706TIP3 H220428 -2.102 -4.036 -1.133 + 4707TIP3 OH220429 -1.277 -3.075 -1.868 + 4707TIP3 H120430 -1.323 -3.108 -1.946 + 4707TIP3 H220431 -1.328 -2.996 -1.845 + 4708TIP3 OH220432 -1.743 -3.270 -1.193 + 4708TIP3 H120433 -1.815 -3.210 -1.164 + 4708TIP3 H220434 -1.679 -3.207 -1.232 + 4709TIP3 OH220435 -0.936 -4.014 -1.581 + 4709TIP3 H120436 -0.987 -4.060 -1.513 + 4709TIP3 H220437 -0.886 -3.950 -1.528 + 4710TIP3 OH220438 -2.073 -3.858 -1.406 + 4710TIP3 H120439 -2.012 -3.795 -1.362 + 4710TIP3 H220440 -2.016 -3.890 -1.479 + 4711TIP3 OH220441 -1.943 -3.082 -1.117 + 4711TIP3 H120442 -1.944 -2.989 -1.149 + 4711TIP3 H220443 -2.030 -3.085 -1.074 + 4712TIP3 OH220444 -2.308 -3.113 -2.032 + 4712TIP3 H120445 -2.331 -3.059 -2.109 + 4712TIP3 H220446 -2.291 -3.046 -1.962 + 4713TIP3 OH220447 -0.967 -2.964 -1.366 + 4713TIP3 H120448 -1.062 -2.949 -1.352 + 4713TIP3 H220449 -0.938 -2.874 -1.388 + 4714TIP3 OH220450 -0.922 -4.112 -1.181 + 4714TIP3 H120451 -1.003 -4.078 -1.223 + 4714TIP3 H220452 -0.856 -4.096 -1.251 + 4715TIP3 OH220453 -1.612 4.381 -1.477 + 4715TIP3 H120454 -1.616 4.285 -1.469 + 4715TIP3 H220455 -1.700 4.412 -1.447 + 4716TIP3 OH220456 -1.137 -2.782 -1.685 + 4716TIP3 H120457 -1.090 -2.859 -1.723 + 4716TIP3 H220458 -1.084 -2.708 -1.716 + 4717TIP3 OH220459 -0.987 -2.989 -1.838 + 4717TIP3 H120460 -1.048 -3.035 -1.898 + 4717TIP3 H220461 -0.992 -3.048 -1.760 + 4718TIP3 OH220462 -0.847 -3.105 -0.986 + 4718TIP3 H120463 -0.845 -3.166 -1.061 + 4718TIP3 H220464 -0.822 -3.020 -1.025 + 4719TIP3 OH220465 -1.410 -3.415 -2.015 + 4719TIP3 H120466 -1.477 -3.355 -2.051 + 4719TIP3 H220467 -1.340 -3.410 -2.082 + 4720TIP3 OH220468 -1.381 -3.594 -2.312 + 4720TIP3 H120469 -1.312 -3.565 -2.249 + 4720TIP3 H220470 -1.330 -3.654 -2.368 + 4721TIP3 OH220471 -0.661 -3.490 -1.193 + 4721TIP3 H120472 -0.733 -3.425 -1.182 + 4721TIP3 H220473 -0.613 -3.452 -1.269 + 4722TIP3 OH220474 -1.057 -3.414 -1.908 + 4722TIP3 H120475 -1.127 -3.392 -1.842 + 4722TIP3 H220476 -0.999 -3.471 -1.855 + 4723TIP3 OH220477 -1.075 -3.563 -1.025 + 4723TIP3 H120478 -1.068 -3.484 -0.969 + 4723TIP3 H220479 -1.138 -3.529 -1.090 + 4724TIP3 OH220480 -1.897 -3.337 -1.732 + 4724TIP3 H120481 -1.929 -3.382 -1.812 + 4724TIP3 H220482 -1.833 -3.402 -1.697 + 4725TIP3 OH220483 -1.757 -2.994 -1.459 + 4725TIP3 H120484 -1.773 -3.039 -1.542 + 4725TIP3 H220485 -1.680 -3.042 -1.423 + 4726TIP3 OH220486 -1.838 -3.461 -1.380 + 4726TIP3 H120487 -1.783 -3.452 -1.459 + 4726TIP3 H220488 -1.804 -3.390 -1.322 + 4727TIP3 OH220489 -1.245 -2.897 -1.318 + 4727TIP3 H120490 -1.237 -2.836 -1.243 + 4727TIP3 H220491 -1.269 -2.981 -1.276 + 4728TIP3 OH220492 -1.752 -3.023 -0.897 + 4728TIP3 H120493 -1.798 -2.957 -0.843 + 4728TIP3 H220494 -1.819 -3.043 -0.966 + 4729TIP3 OH220495 -1.161 -3.472 -2.162 + 4729TIP3 H120496 -1.116 -3.443 -2.080 + 4729TIP3 H220497 -1.112 -3.419 -2.229 + 4730TIP3 OH220498 -2.062 -3.387 -0.985 + 4730TIP3 H120499 -2.056 -3.327 -0.908 + 4730TIP3 H220500 -2.159 -3.396 -0.994 + 4731TIP3 OH220501 -1.409 -2.808 -1.811 + 4731TIP3 H120502 -1.369 -2.781 -1.728 + 4731TIP3 H220503 -1.465 -2.732 -1.834 + 4732TIP3 OH220504 -1.939 -2.792 -0.806 + 4732TIP3 H120505 -1.951 -2.796 -0.902 + 4732TIP3 H220506 -2.023 -2.826 -0.770 + 4733TIP3 OH220507 -0.843 -4.322 -2.241 + 4733TIP3 H120508 -0.889 -4.324 -2.155 + 4733TIP3 H220509 -0.765 -4.269 -2.217 + 4734TIP3 OH220510 -2.005 -3.464 -1.978 + 4734TIP3 H120511 -2.027 -3.387 -2.032 + 4734TIP3 H220512 -2.074 -3.527 -2.002 + 4735TIP3 OH220513 -0.680 -2.880 -2.359 + 4735TIP3 H120514 -0.666 -2.786 -2.335 + 4735TIP3 H220515 -0.594 -2.920 -2.336 + 4736TIP3 OH220516 -2.413 -3.194 -1.108 + 4736TIP3 H120517 -2.434 -3.185 -1.203 + 4736TIP3 H220518 -2.395 -3.289 -1.100 + 4737TIP3 OH220519 -0.631 -2.843 -0.860 + 4737TIP3 H120520 -0.569 -2.908 -0.825 + 4737TIP3 H220521 -0.676 -2.813 -0.781 + 4738TIP3 OH220522 -1.495 -2.884 -0.940 + 4738TIP3 H120523 -1.484 -2.813 -0.874 + 4738TIP3 H220524 -1.579 -2.924 -0.912 + 4739TIP3 OH220525 -1.467 -2.535 -1.959 + 4739TIP3 H120526 -1.468 -2.527 -2.056 + 4739TIP3 H220527 -1.455 -2.443 -1.930 + 4740TIP3 OH220528 -2.081 -2.625 -1.794 + 4740TIP3 H120529 -2.067 -2.670 -1.708 + 4740TIP3 H220530 -2.166 -2.662 -1.820 + 4741TIP3 OH220531 -1.132 -2.591 -2.242 + 4741TIP3 H120532 -1.077 -2.662 -2.282 + 4741TIP3 H220533 -1.132 -2.616 -2.148 + 4742TIP3 OH220534 -1.185 -2.616 -1.944 + 4742TIP3 H120535 -1.282 -2.611 -1.946 + 4742TIP3 H220536 -1.172 -2.707 -1.916 + 4743TIP3 OH220537 -0.877 -3.710 -0.794 + 4743TIP3 H120538 -0.929 -3.668 -0.864 + 4743TIP3 H220539 -0.871 -3.802 -0.826 + 4744TIP3 OH220540 -2.188 -3.040 -0.975 + 4744TIP3 H120541 -2.156 -3.092 -0.899 + 4744TIP3 H220542 -2.257 -3.095 -1.015 + 4745TIP3 OH220543 -1.860 -4.220 -1.387 + 4745TIP3 H120544 -1.943 -4.242 -1.433 + 4745TIP3 H220545 -1.884 -4.136 -1.346 + 4746TIP3 OH220546 -1.405 -4.264 -1.031 + 4746TIP3 H120547 -1.386 -4.307 -0.948 + 4746TIP3 H220548 -1.500 -4.277 -1.041 + 4747TIP3 OH220549 -1.107 -3.863 -0.989 + 4747TIP3 H120550 -1.166 -3.874 -0.912 + 4747TIP3 H220551 -1.113 -3.768 -1.007 + 4748TIP3 OH220552 -1.008 -3.361 -2.362 + 4748TIP3 H120553 -1.028 -3.379 -2.455 + 4748TIP3 H220554 -0.913 -3.337 -2.368 + 4749TIP3 OH220555 -1.443 -3.993 -2.316 + 4749TIP3 H120556 -1.497 -4.004 -2.235 + 4749TIP3 H220557 -1.492 -4.054 -2.376 + 4750TIP3 OH220558 -1.877 -3.716 -1.262 + 4750TIP3 H120559 -1.935 -3.702 -1.186 + 4750TIP3 H220560 -1.867 -3.625 -1.298 + 4751TIP3 OH220561 -1.882 -3.709 -1.773 + 4751TIP3 H120562 -1.978 -3.717 -1.789 + 4751TIP3 H220563 -1.847 -3.727 -1.862 + 4752TIP3 OH220564 -1.320 -3.652 -1.897 + 4752TIP3 H120565 -1.361 -3.569 -1.929 + 4752TIP3 H220566 -1.254 -3.668 -1.966 + 4753TIP3 OH220567 -1.401 -3.634 -0.767 + 4753TIP3 H120568 -1.452 -3.705 -0.725 + 4753TIP3 H220569 -1.315 -3.642 -0.721 + 4754TIP3 OH220570 -1.235 -3.711 -1.618 + 4754TIP3 H120571 -1.265 -3.654 -1.691 + 4754TIP3 H220572 -1.215 -3.792 -1.669 + 4755TIP3 OH220573 -2.140 -3.697 -1.081 + 4755TIP3 H120574 -2.112 -3.666 -0.994 + 4755TIP3 H220575 -2.179 -3.784 -1.059 + 4756TIP3 OH220576 -1.804 -3.942 -2.421 + 4756TIP3 H120577 -1.838 -3.977 -2.337 + 4756TIP3 H220578 -1.884 -3.929 -2.473 + 4757TIP3 OH220579 -2.462 -3.961 -1.715 + 4757TIP3 H120580 -2.404 -3.954 -1.636 + 4757TIP3 H220581 -2.402 -3.992 -1.783 + 4758TIP3 OH220582 -2.301 -3.912 -2.144 + 4758TIP3 H120583 -2.245 -3.861 -2.206 + 4758TIP3 H220584 -2.371 -3.846 -2.124 + 4759TIP3 OH220585 -1.328 -3.543 -1.175 + 4759TIP3 H120586 -1.282 -3.616 -1.222 + 4759TIP3 H220587 -1.357 -3.587 -1.094 + 4760TIP3 OH220588 -1.605 -3.944 -1.675 + 4760TIP3 H120589 -1.699 -3.958 -1.654 + 4760TIP3 H220590 -1.562 -3.971 -1.593 + 4761TIP3 OH220591 -2.149 -3.828 -1.803 + 4761TIP3 H120592 -2.229 -3.797 -1.850 + 4761TIP3 H220593 -2.122 -3.908 -1.852 + 4762TIP3 OH220594 -1.786 -3.792 -2.035 + 4762TIP3 H120595 -1.689 -3.784 -2.030 + 4762TIP3 H220596 -1.811 -3.732 -2.107 + 4763TIP3 OH220597 -1.170 -4.033 -1.371 + 4763TIP3 H120598 -1.232 -4.034 -1.295 + 4763TIP3 H220599 -1.230 -4.064 -1.442 + 4764TIP3 OH220600 -1.939 -3.672 -2.259 + 4764TIP3 H120601 -1.997 -3.696 -2.333 + 4764TIP3 H220602 -1.857 -3.649 -2.307 + 4765TIP3 OH220603 -2.075 -3.197 -0.762 + 4765TIP3 H120604 -2.006 -3.189 -0.692 + 4765TIP3 H220605 -2.154 -3.193 -0.705 + 4766TIP3 OH220606 -1.503 -3.694 -1.489 + 4766TIP3 H120607 -1.431 -3.738 -1.535 + 4766TIP3 H220608 -1.520 -3.755 -1.415 + 4767TIP3 OH220609 -1.991 -4.066 -1.869 + 4767TIP3 H120610 -2.034 -4.152 -1.854 + 4767TIP3 H220611 -1.904 -4.094 -1.902 + 4768TIP3 OH220612 -1.607 -3.849 -1.263 + 4768TIP3 H120613 -1.682 -3.788 -1.263 + 4768TIP3 H220614 -1.557 -3.821 -1.183 + 4769TIP3 OH220615 -1.592 -3.210 -2.075 + 4769TIP3 H120616 -1.668 -3.260 -2.110 + 4769TIP3 H220617 -1.613 -3.204 -1.979 + 4770TIP3 OH220618 -0.868 -3.297 -1.204 + 4770TIP3 H120619 -0.820 -3.240 -1.268 + 4770TIP3 H220620 -0.955 -3.305 -1.247 + 4771TIP3 OH220621 -1.176 -3.928 -2.315 + 4771TIP3 H120622 -1.273 -3.938 -2.310 + 4771TIP3 H220623 -1.157 -3.863 -2.245 + 4772TIP3 OH220624 -1.434 -3.200 -0.944 + 4772TIP3 H120625 -1.456 -3.235 -0.856 + 4772TIP3 H220626 -1.460 -3.108 -0.936 + 4773TIP3 OH220627 -1.110 -3.750 -2.100 + 4773TIP3 H120628 -1.024 -3.763 -2.055 + 4773TIP3 H220629 -1.100 -3.660 -2.136 + 4774TIP3 OH220630 -2.077 -3.272 -1.491 + 4774TIP3 H120631 -2.021 -3.281 -1.570 + 4774TIP3 H220632 -2.072 -3.360 -1.451 + 4775TIP3 OH220633 -1.354 -3.072 -2.186 + 4775TIP3 H120634 -1.378 -2.987 -2.143 + 4775TIP3 H220635 -1.427 -3.129 -2.155 + 4776TIP3 OH220636 -2.353 -3.443 -0.965 + 4776TIP3 H120637 -2.336 -3.489 -0.881 + 4776TIP3 H220638 -2.411 -3.505 -1.012 + 4777TIP3 OH220639 -1.656 -3.495 -0.767 + 4777TIP3 H120640 -1.689 -3.516 -0.856 + 4777TIP3 H220641 -1.561 -3.517 -0.777 + 4778TIP3 OH220642 -1.201 -2.946 -0.990 + 4778TIP3 H120643 -1.295 -2.924 -0.989 + 4778TIP3 H220644 -1.174 -2.922 -0.899 + 4779TIP3 OH220645 -0.648 -3.747 -2.119 + 4779TIP3 H120646 -0.705 -3.766 -2.196 + 4779TIP3 H220647 -0.637 -3.651 -2.132 + 4780TIP3 OH220648 -0.609 -3.158 -0.836 + 4780TIP3 H120649 -0.694 -3.111 -0.850 + 4780TIP3 H220650 -0.567 -3.143 -0.923 + 4781TIP3 OH220651 -0.827 -2.879 -2.105 + 4781TIP3 H120652 -0.855 -2.957 -2.054 + 4781TIP3 H220653 -0.778 -2.919 -2.178 + 4782TIP3 OH220654 -1.103 -3.349 -1.373 + 4782TIP3 H120655 -1.197 -3.365 -1.394 + 4782TIP3 H220656 -1.060 -3.422 -1.420 + 4783TIP3 OH220657 -1.839 -2.944 -1.776 + 4783TIP3 H120658 -1.801 -2.855 -1.778 + 4783TIP3 H220659 -1.933 -2.926 -1.783 + 4784TIP3 OH220660 -2.242 -3.462 -2.307 + 4784TIP3 H120661 -2.184 -3.395 -2.266 + 4784TIP3 H220662 -2.329 -3.436 -2.271 + 4785TIP3 OH220663 -1.657 -3.171 -1.807 + 4785TIP3 H120664 -1.691 -3.082 -1.792 + 4785TIP3 H220665 -1.725 -3.224 -1.763 + 4786TIP3 OH220666 -1.638 -2.751 -1.169 + 4786TIP3 H120667 -1.582 -2.677 -1.196 + 4786TIP3 H220668 -1.580 -2.796 -1.105 + 4787TIP3 OH220669 -1.796 -2.651 -1.848 + 4787TIP3 H120670 -1.892 -2.641 -1.835 + 4787TIP3 H220671 -1.763 -2.564 -1.821 + 4788TIP3 OH220672 -1.302 -3.172 -1.215 + 4788TIP3 H120673 -1.329 -3.193 -1.124 + 4788TIP3 H220674 -1.225 -3.230 -1.226 + 4789TIP3 OH220675 -1.082 -3.039 -2.319 + 4789TIP3 H120676 -1.042 -3.089 -2.245 + 4789TIP3 H220677 -1.175 -3.053 -2.298 + 4790TIP3 OH220678 -0.979 -2.710 -0.961 + 4790TIP3 H120679 -1.066 -2.742 -0.988 + 4790TIP3 H220680 -0.976 -2.619 -0.993 + 4791TIP3 OH220681 -0.614 -2.612 -2.269 + 4791TIP3 H120682 -0.546 -2.547 -2.293 + 4791TIP3 H220683 -0.690 -2.553 -2.260 + 4792TIP3 OH220684 -2.220 -3.961 -1.007 + 4792TIP3 H120685 -2.310 -3.942 -1.039 + 4792TIP3 H220686 -2.236 -4.048 -0.964 + 4793TIP3 OH220687 -0.986 -3.180 -2.085 + 4793TIP3 H120688 -1.016 -3.251 -2.024 + 4793TIP3 H220689 -0.890 -3.182 -2.071 + 4794TIP3 OH220690 -2.243 -2.789 -1.159 + 4794TIP3 H120691 -2.236 -2.884 -1.173 + 4794TIP3 H220692 -2.207 -2.780 -1.071 + 4795TIP3 OH220693 -1.658 -2.937 -2.463 + 4795TIP3 H120694 -1.631 -3.017 -2.512 + 4795TIP3 H220695 -1.702 -2.976 -2.385 + 4796TIP3 OH220696 -1.772 -2.984 -2.195 + 4796TIP3 H120697 -1.728 -3.037 -2.128 + 4796TIP3 H220698 -1.761 -2.893 -2.159 + 4797TIP3 OH220699 -2.091 -3.241 -2.154 + 4797TIP3 H120700 -2.164 -3.204 -2.100 + 4797TIP3 H220701 -2.045 -3.159 -2.178 + 4798TIP3 OH220702 -1.327 -4.009 -1.143 + 4798TIP3 H120703 -1.268 -3.980 -1.073 + 4798TIP3 H220704 -1.365 -4.092 -1.107 + 4799TIP3 OH220705 -1.248 -4.058 -2.026 + 4799TIP3 H120706 -1.245 -3.996 -2.101 + 4799TIP3 H220707 -1.214 -4.002 -1.954 + 4800TIP3 OH220708 -1.474 -2.817 -2.129 + 4800TIP3 H120709 -1.559 -2.774 -2.109 + 4800TIP3 H220710 -1.449 -2.776 -2.213 + 4801TIP3 OH220711 -1.516 -3.852 -1.926 + 4801TIP3 H120712 -1.443 -3.788 -1.911 + 4801TIP3 H220713 -1.547 -3.868 -1.834 + 4802TIP3 OH220714 -1.485 -3.763 -1.014 + 4802TIP3 H120715 -1.477 -3.709 -0.933 + 4802TIP3 H220716 -1.425 -3.836 -0.994 + 4803TIP3 OH220717 -1.445 -4.173 -1.825 + 4803TIP3 H120718 -1.479 -4.097 -1.774 + 4803TIP3 H220719 -1.391 -4.129 -1.893 + 4804TIP3 OH220720 -1.758 -2.715 -2.129 + 4804TIP3 H120721 -1.766 -2.633 -2.182 + 4804TIP3 H220722 -1.774 -2.683 -2.039 + 4805TIP3 OH220723 -1.891 -4.050 -2.177 + 4805TIP3 H120724 -1.888 -3.969 -2.124 + 4805TIP3 H220725 -1.804 -4.088 -2.155 + 4806TIP3 OH220726 -0.846 -3.964 -0.932 + 4806TIP3 H120727 -0.942 -3.953 -0.942 + 4806TIP3 H220728 -0.825 -3.986 -1.024 + 4807TIP3 OH220729 -1.003 -3.575 -1.525 + 4807TIP3 H120730 -1.086 -3.619 -1.549 + 4807TIP3 H220731 -0.955 -3.645 -1.476 + 4808TIP3 OH220732 -2.047 -2.959 -2.278 + 4808TIP3 H120733 -1.974 -2.910 -2.236 + 4808TIP3 H220734 -1.997 -3.011 -2.342 + 4809TIP3 OH220735 -2.232 -3.744 -2.366 + 4809TIP3 H120736 -2.220 -3.650 -2.342 + 4809TIP3 H220737 -2.321 -3.743 -2.405 + 4810TIP3 OH220738 -0.911 -2.667 -1.382 + 4810TIP3 H120739 -0.900 -2.587 -1.436 + 4810TIP3 H220740 -0.824 -2.673 -1.340 + 4811TIP3 OH220741 -2.222 -4.244 -1.468 + 4811TIP3 H120742 -2.180 -4.241 -1.555 + 4811TIP3 H220743 -2.197 -4.334 -1.441 + 4812TIP3 OH220744 -2.252 -2.896 -1.867 + 4812TIP3 H120745 -2.323 -2.847 -1.822 + 4812TIP3 H220746 -2.218 -2.831 -1.930 + 4813TIP3 OH220747 -2.309 -2.597 -0.741 + 4813TIP3 H120748 -2.246 -2.635 -0.679 + 4813TIP3 H220749 -2.349 -2.679 -0.776 + 4814TIP3 OH220750 -1.437 -2.767 -2.412 + 4814TIP3 H120751 -1.514 -2.828 -2.423 + 4814TIP3 H220752 -1.367 -2.823 -2.450 + 4815TIP3 OH220753 -1.173 -2.875 -0.706 + 4815TIP3 H120754 -1.227 -2.944 -0.665 + 4815TIP3 H220755 -1.112 -2.853 -0.634 + 4816TIP3 OH220756 -0.974 -2.774 -2.401 + 4816TIP3 H120757 -0.963 -2.858 -2.352 + 4816TIP3 H220758 -0.895 -2.772 -2.457 + 4817TIP3 OH220759 -2.318 -3.236 -0.630 + 4817TIP3 H120760 -2.306 -3.325 -0.668 + 4817TIP3 H220761 -2.393 -3.204 -0.685 + 4818TIP3 OH220762 -1.894 -3.193 -2.430 + 4818TIP3 H120763 -1.879 -3.251 -2.354 + 4818TIP3 H220764 -1.807 -3.198 -2.474 + 4819TIP3 OH220765 -1.653 -3.214 -0.695 + 4819TIP3 H120766 -1.681 -3.178 -0.780 + 4819TIP3 H220767 -1.646 -3.310 -0.712 + 4820TIP3 OH220768 -1.368 -3.060 -2.468 + 4820TIP3 H120769 -1.376 -3.064 -2.371 + 4820TIP3 H220770 -1.375 -3.155 -2.490 + 4821TIP3 OH220771 -1.117 -3.251 -0.960 + 4821TIP3 H120772 -1.036 -3.197 -0.974 + 4821TIP3 H220773 -1.184 -3.181 -0.956 + 4822TIP3 OH220774 -2.231 -3.526 -0.714 + 4822TIP3 H120775 -2.154 -3.585 -0.712 + 4822TIP3 H220776 -2.234 -3.498 -0.621 + 4823TIP3 OH220777 -1.786 -3.384 -2.196 + 4823TIP3 H120778 -1.847 -3.434 -2.139 + 4823TIP3 H220779 -1.756 -3.454 -2.258 + 4824TIP3 OH220780 -1.865 -3.609 -0.971 + 4824TIP3 H120781 -1.918 -3.530 -0.951 + 4824TIP3 H220782 -1.799 -3.573 -1.033 + 4825TIP3 OH220783 -1.691 -3.583 -2.369 + 4825TIP3 H120784 -1.695 -3.576 -2.467 + 4825TIP3 H220785 -1.595 -3.587 -2.354 + 4826TIP3 OH220786 -1.337 -3.340 -0.619 + 4826TIP3 H120787 -1.244 -3.352 -0.642 + 4826TIP3 H220788 -1.357 -3.421 -0.570 + 4827TIP3 OH220789 -0.738 -3.331 -2.438 + 4827TIP3 H120790 -0.749 -3.375 -2.523 + 4827TIP3 H220791 -0.751 -3.237 -2.463 + 4828TIP3 OH220792 -1.806 -3.880 -0.860 + 4828TIP3 H120793 -1.796 -3.943 -0.932 + 4828TIP3 H220794 -1.825 -3.797 -0.908 + 4829TIP3 OH220795 -1.766 -4.038 -1.118 + 4829TIP3 H120796 -1.714 -3.981 -1.178 + 4829TIP3 H220797 -1.857 -4.025 -1.152 + 4830TIP3 OH220798 -1.617 -3.488 -1.071 + 4830TIP3 H120799 -1.533 -3.495 -1.119 + 4830TIP3 H220800 -1.648 -3.400 -1.101 + 4831TIP3 OH220801 -1.161 -3.694 -0.594 + 4831TIP3 H120802 -1.136 -3.786 -0.577 + 4831TIP3 H220803 -1.074 -3.651 -0.597 + 4832TIP3 OH220804 -1.059 -3.417 -0.749 + 4832TIP3 H120805 -1.095 -3.353 -0.813 + 4832TIP3 H220806 -0.968 -3.426 -0.783 + 4833TIP3 OH220807 -1.985 -3.697 -0.674 + 4833TIP3 H120808 -2.035 -3.780 -0.677 + 4833TIP3 H220809 -1.903 -3.722 -0.721 + 4834TIP3 OH220810 -1.720 -4.278 -0.995 + 4834TIP3 H120811 -1.706 -4.187 -1.031 + 4834TIP3 H220812 -1.814 -4.288 -1.018 + 4835TIP3 OH220813 -1.571 -3.846 -0.700 + 4835TIP3 H120814 -1.603 -3.870 -0.611 + 4835TIP3 H220815 -1.652 -3.863 -0.752 + 4836TIP3 OH220816 -1.314 -3.947 -0.803 + 4836TIP3 H120817 -1.402 -3.929 -0.765 + 4836TIP3 H220818 -1.276 -4.009 -0.739 + 4837TIP3 OH220819 -1.140 -4.138 -0.633 + 4837TIP3 H120820 -1.155 -4.224 -0.592 + 4837TIP3 H220821 -1.153 -4.076 -0.559 + 4838TIP3 OH220822 -2.103 -3.960 -0.689 + 4838TIP3 H120823 -2.131 -4.019 -0.761 + 4838TIP3 H220824 -2.151 -3.997 -0.613 + 4839TIP3 OH220825 -1.609 -4.149 -0.586 + 4839TIP3 H120826 -1.634 -4.228 -0.637 + 4839TIP3 H220827 -1.692 -4.097 -0.584 + 4840TIP3 OH220828 -1.714 -2.457 -2.259 + 4840TIP3 H120829 -1.618 -2.449 -2.250 + 4840TIP3 H220830 -1.729 -2.416 -2.344 + 4841TIP3 OH220831 -2.324 -3.018 -2.310 + 4841TIP3 H120832 -2.229 -3.001 -2.292 + 4841TIP3 H220833 -2.320 -3.099 -2.364 + 4842TIP3 OH220834 -2.421 -2.502 -1.834 + 4842TIP3 H120835 -2.495 -2.539 -1.886 + 4842TIP3 H220836 -2.411 -2.570 -1.764 + 4843TIP3 OH220837 -2.377 -2.701 -1.634 + 4843TIP3 H120838 -2.418 -2.785 -1.605 + 4843TIP3 H220839 -2.347 -2.670 -1.547 + 4844TIP3 OH220840 -0.629 -2.572 -1.332 + 4844TIP3 H120841 -0.624 -2.577 -1.234 + 4844TIP3 H220842 -0.537 -2.553 -1.355 + 4845TIP3 OH220843 -0.632 -2.612 -1.051 + 4845TIP3 H120844 -0.701 -2.679 -1.067 + 4845TIP3 H220845 -0.596 -2.649 -0.968 + 4846TIP3 OH220846 -0.823 -3.065 -0.598 + 4846TIP3 H120847 -0.917 -3.058 -0.572 + 4846TIP3 H220848 -0.786 -2.985 -0.557 + 4847TIP3 OH220849 -0.698 -3.195 -2.044 + 4847TIP3 H120850 -0.610 -3.164 -2.021 + 4847TIP3 H220851 -0.713 -3.259 -1.972 + 4848TIP3 OH220852 -0.654 -3.399 -1.847 + 4848TIP3 H120853 -0.724 -3.454 -1.805 + 4848TIP3 H220854 -0.588 -3.387 -1.776 + 4849TIP3 OH220855 -0.684 -3.150 -1.349 + 4849TIP3 H120856 -0.617 -3.195 -1.401 + 4849TIP3 H220857 -0.672 -3.057 -1.374 + 4850TIP3 OH220858 -0.810 -2.849 -1.136 + 4850TIP3 H120859 -0.869 -2.813 -1.066 + 4850TIP3 H220860 -0.871 -2.895 -1.195 + 4851TIP3 OH220861 -0.626 -3.451 -2.190 + 4851TIP3 H120862 -0.680 -3.426 -2.267 + 4851TIP3 H220863 -0.645 -3.379 -2.129 + 4852TIP3 OH220864 -0.802 -3.697 -2.363 + 4852TIP3 H120865 -0.774 -3.640 -2.436 + 4852TIP3 H220866 -0.827 -3.779 -2.409 + 4853TIP3 OH220867 -0.859 -3.583 -1.765 + 4853TIP3 H120868 -0.868 -3.678 -1.782 + 4853TIP3 H220869 -0.899 -3.575 -1.675 + 4854TIP3 OH220870 -2.390 -3.367 -1.385 + 4854TIP3 H120871 -2.382 -3.328 -1.474 + 4854TIP3 H220872 -2.297 -3.369 -1.357 + 4855TIP3 OH220873 -0.797 -3.390 -0.851 + 4855TIP3 H120874 -0.724 -3.451 -0.830 + 4855TIP3 H220875 -0.751 -3.306 -0.867 + 4856TIP3 OH220876 -0.645 -3.583 -0.729 + 4856TIP3 H120877 -0.724 -3.636 -0.751 + 4856TIP3 H220878 -0.575 -3.651 -0.730 + 4857TIP3 OH220879 -0.860 -3.967 -2.445 + 4857TIP3 H120880 -0.801 -4.013 -2.382 + 4857TIP3 H220881 -0.942 -4.018 -2.437 + 4858TIP3 OH220882 -0.878 -3.827 -1.946 + 4858TIP3 H120883 -0.861 -3.924 -1.939 + 4858TIP3 H220884 -0.795 -3.798 -1.987 + 4859TIP3 OH220885 -0.852 -3.774 -1.406 + 4859TIP3 H120886 -0.754 -3.767 -1.407 + 4859TIP3 H220887 -0.867 -3.775 -1.310 + 4860TIP3 OH220888 -0.838 -3.706 -1.122 + 4860TIP3 H120889 -0.921 -3.664 -1.094 + 4860TIP3 H220890 -0.782 -3.629 -1.142 + 4861TIP3 OH220891 -2.392 -3.836 -0.743 + 4861TIP3 H120892 -2.299 -3.857 -0.760 + 4861TIP3 H220893 -2.433 -3.924 -0.744 + 4862TIP3 OH220894 -0.620 -4.277 -0.543 + 4862TIP3 H120895 -0.572 -4.357 -0.568 + 4862TIP3 H220896 -0.620 -4.219 -0.622 + 4863TIP3 OH220897 -0.848 -4.099 -1.937 + 4863TIP3 H120898 -0.826 -4.149 -1.858 + 4863TIP3 H220899 -0.910 -4.159 -1.981 + 4864TIP3 OH220900 -2.316 -3.990 -1.476 + 4864TIP3 H120901 -2.284 -4.083 -1.463 + 4864TIP3 H220902 -2.242 -3.939 -1.437 + 4865TIP3 OH220903 -2.454 -3.730 -1.372 + 4865TIP3 H120904 -2.394 -3.729 -1.449 + 4865TIP3 H220905 -2.421 -3.654 -1.322 + 4866TIP3 OH220906 -0.642 -4.113 -0.758 + 4866TIP3 H120907 -0.726 -4.065 -0.749 + 4866TIP3 H220908 -0.652 -4.145 -0.850 + 4867TIP3 OH220909 -0.634 -4.056 -2.277 + 4867TIP3 H120910 -0.618 -4.142 -2.322 + 4867TIP3 H220911 -0.547 -4.015 -2.276 + 4868TIP3 OH220912 -2.401 -4.106 -1.970 + 4868TIP3 H120913 -2.496 -4.092 -1.984 + 4868TIP3 H220914 -2.361 -4.035 -2.023 + 4869TIP3 OH220915 -0.907 -2.529 -1.778 + 4869TIP3 H120916 -0.870 -2.600 -1.834 + 4869TIP3 H220917 -0.868 -2.550 -1.691 + 4870TIP3 OH220918 -2.422 -4.128 -1.113 + 4870TIP3 H120919 -2.425 -4.222 -1.087 + 4870TIP3 H220920 -2.444 -4.133 -1.207 + 4871TIP3 OH220921 -2.201 -2.893 -0.679 + 4871TIP3 H120922 -2.270 -2.900 -0.747 + 4871TIP3 H220923 -2.250 -2.907 -0.597 + 4872TIP3 OH220924 -1.916 -2.797 -1.106 + 4872TIP3 H120925 -1.949 -2.713 -1.141 + 4872TIP3 H220926 -1.821 -2.788 -1.126 + 4873TIP3 OH220927 -1.257 -2.526 -0.868 + 4873TIP3 H120928 -1.191 -2.595 -0.879 + 4873TIP3 H220929 -1.240 -2.495 -0.778 + 4874TIP3 OH220930 -0.779 -4.278 -0.969 + 4874TIP3 H120931 -0.828 -4.213 -1.022 + 4874TIP3 H220932 -0.764 -4.346 -1.036 + 4875TIP3 OH220933 -2.171 -2.490 -1.069 + 4875TIP3 H120934 -2.231 -2.435 -1.122 + 4875TIP3 H220935 -2.226 -2.510 -0.993 + 4876TIP3 OH220936 -1.919 -2.523 -1.218 + 4876TIP3 H120937 -2.005 -2.506 -1.173 + 4876TIP3 H220938 -1.919 -2.454 -1.287 + 4877TIP3 OH220939 -1.455 -2.529 -1.268 + 4877TIP3 H120940 -1.495 -2.476 -1.339 + 4877TIP3 H220941 -1.445 -2.462 -1.197 + 4878TIP3 OH220942 -1.203 -2.637 -1.170 + 4878TIP3 H120943 -1.295 -2.619 -1.195 + 4878TIP3 H220944 -1.166 -2.548 -1.166 + 4879TIP3 OH220945 -0.940 -2.446 -1.149 + 4879TIP3 H120946 -0.984 -2.369 -1.183 + 4879TIP3 H220947 -0.936 -2.508 -1.223 + 4880TIP3 OH220948 -2.221 -2.621 -1.383 + 4880TIP3 H120949 -2.233 -2.676 -1.302 + 4880TIP3 H220950 -2.151 -2.671 -1.427 + 4881TIP3 OH220951 -2.019 -2.749 -1.548 + 4881TIP3 H120952 -2.041 -2.839 -1.513 + 4881TIP3 H220953 -1.931 -2.735 -1.508 + 4882TIP3 OH220954 -1.740 -2.700 -1.454 + 4882TIP3 H120955 -1.727 -2.795 -1.474 + 4882TIP3 H220956 -1.737 -2.702 -1.357 + 4883TIP3 OH220957 -1.414 -4.112 -1.525 + 4883TIP3 H120958 -1.477 -4.182 -1.497 + 4883TIP3 H220959 -1.355 -4.161 -1.583 + 4884TIP3 OH220960 -0.886 -4.331 -1.479 + 4884TIP3 H120961 -0.827 -4.289 -1.544 + 4884TIP3 H220962 -0.973 -4.306 -1.511 + 4885TIP3 OH220963 -0.690 -4.226 -1.697 + 4885TIP3 H120964 -0.635 -4.244 -1.774 + 4885TIP3 H220965 -0.674 -4.131 -1.683 + 4886TIP3 OH220966 -2.178 -4.284 -1.796 + 4886TIP3 H120967 -2.270 -4.307 -1.813 + 4886TIP3 H220968 -2.143 -4.364 -1.757 + 4887TIP3 OH220969 -2.322 -4.291 -2.170 + 4887TIP3 H120970 -2.274 -4.243 -2.240 + 4887TIP3 H220971 -2.355 -4.217 -2.115 + 4888TIP3 OH220972 -1.731 -4.228 -1.767 + 4888TIP3 H120973 -1.636 -4.234 -1.787 + 4888TIP3 H220974 -1.742 -4.293 -1.697 + 4889TIP3 OH220975 -1.172 -4.265 -1.630 + 4889TIP3 H120976 -1.141 -4.263 -1.721 + 4889TIP3 H220977 -1.188 -4.359 -1.613 + 4890TIP3 OH220978 -1.063 -4.272 -2.035 + 4890TIP3 H120979 -1.139 -4.213 -2.053 + 4890TIP3 H220980 -1.104 -4.360 -2.035 + 4891TIP3 OH220981 -2.273 -2.695 -2.068 + 4891TIP3 H120982 -2.341 -2.707 -2.135 + 4891TIP3 H220983 -2.279 -2.599 -2.053 + 4892TIP3 OH220984 -2.128 -4.125 -2.326 + 4892TIP3 H120985 -2.057 -4.162 -2.382 + 4892TIP3 H220986 -2.076 -4.074 -2.262 + 4893TIP3 OH220987 -1.605 -4.060 -2.097 + 4893TIP3 H120988 -1.597 -4.144 -2.048 + 4893TIP3 H220989 -1.587 -3.992 -2.029 + 4894TIP3 OH220990 -1.411 -2.512 -2.254 + 4894TIP3 H120991 -1.314 -2.509 -2.255 + 4894TIP3 H220992 -1.428 -2.580 -2.320 + 4895TIP3 OH220993 -0.741 -2.619 -1.988 + 4895TIP3 H120994 -0.766 -2.703 -2.032 + 4895TIP3 H220995 -0.754 -2.555 -2.060 + 4896TIP3 OH220996 -2.217 -4.179 -0.846 + 4896TIP3 H120997 -2.260 -4.260 -0.814 + 4896TIP3 H220998 -2.128 -4.214 -0.859 + 4897TIP3 OH220999 -1.924 -4.279 -0.582 + 4897TIP3 H121000 -1.836 -4.304 -0.619 + 4897TIP3 H221001 -1.947 -4.358 -0.532 + 4898TIP3 OH221002 -2.132 -2.599 -2.384 + 4898TIP3 H121003 -2.159 -2.575 -2.295 + 4898TIP3 H221004 -2.057 -2.659 -2.368 + 4899TIP3 OH221005 0.607 -3.346 -1.800 + 4899TIP3 H121006 0.602 -3.254 -1.771 + 4899TIP3 H221007 0.525 -3.358 -1.849 + 4900TIP3 OH221008 -0.253 -3.461 -1.270 + 4900TIP3 H121009 -0.259 -3.536 -1.209 + 4900TIP3 H221010 -0.186 -3.408 -1.224 + 4901TIP3 OH221011 0.865 -3.152 -1.603 + 4901TIP3 H121012 0.812 -3.224 -1.564 + 4901TIP3 H221013 0.885 -3.097 -1.526 + 4902TIP3 OH221014 -0.185 -3.000 -1.431 + 4902TIP3 H121015 -0.213 -3.093 -1.439 + 4902TIP3 H221016 -0.101 -3.011 -1.384 + 4903TIP3 OH221017 -0.491 -3.658 -1.881 + 4903TIP3 H121018 -0.535 -3.572 -1.871 + 4903TIP3 H221019 -0.563 -3.712 -1.916 + 4904TIP3 OH221020 -0.400 -3.411 -1.701 + 4904TIP3 H121021 -0.403 -3.489 -1.643 + 4904TIP3 H221022 -0.317 -3.427 -1.747 + 4905TIP3 OH221023 0.569 -2.614 -1.548 + 4905TIP3 H121024 0.629 -2.686 -1.576 + 4905TIP3 H221025 0.543 -2.644 -1.460 + 4906TIP3 OH221026 0.348 -3.185 -1.387 + 4906TIP3 H121027 0.389 -3.257 -1.438 + 4906TIP3 H221028 0.425 -3.164 -1.332 + 4907TIP3 OH221029 1.204 -4.022 -1.319 + 4907TIP3 H121030 1.232 -3.970 -1.242 + 4907TIP3 H221031 1.263 -3.986 -1.387 + 4908TIP3 OH221032 0.676 -3.757 -1.330 + 4908TIP3 H121033 0.691 -3.849 -1.359 + 4908TIP3 H221034 0.659 -3.708 -1.411 + 4909TIP3 OH221035 -0.031 -3.942 -1.617 + 4909TIP3 H121036 -0.013 -3.856 -1.659 + 4909TIP3 H221037 -0.065 -3.992 -1.693 + 4910TIP3 OH221038 0.751 -3.925 -1.787 + 4910TIP3 H121039 0.806 -3.948 -1.711 + 4910TIP3 H221040 0.798 -3.850 -1.824 + 4911TIP3 OH221041 -0.359 -3.660 -1.571 + 4911TIP3 H121042 -0.299 -3.707 -1.510 + 4911TIP3 H221043 -0.350 -3.714 -1.651 + 4912TIP3 OH221044 0.176 -3.518 -1.623 + 4912TIP3 H121045 0.258 -3.564 -1.594 + 4912TIP3 H221046 0.131 -3.592 -1.669 + 4913TIP3 OH221047 1.294 -3.850 -1.057 + 4913TIP3 H121048 1.220 -3.796 -1.090 + 4913TIP3 H221049 1.256 -3.888 -0.977 + 4914TIP3 OH221050 -0.151 -4.057 -1.203 + 4914TIP3 H121051 -0.183 -3.999 -1.273 + 4914TIP3 H221052 -0.216 -4.037 -1.133 + 4915TIP3 OH221053 0.606 -3.060 -1.871 + 4915TIP3 H121054 0.565 -3.093 -1.951 + 4915TIP3 H221055 0.554 -2.980 -1.850 + 4916TIP3 OH221056 0.140 -3.268 -1.190 + 4916TIP3 H121057 0.067 -3.207 -1.166 + 4916TIP3 H221058 0.206 -3.209 -1.230 + 4917TIP3 OH221059 0.953 -4.022 -1.578 + 4917TIP3 H121060 0.893 -4.055 -1.509 + 4917TIP3 H221061 0.997 -3.948 -1.531 + 4918TIP3 OH221062 -0.189 -3.855 -1.408 + 4918TIP3 H121063 -0.126 -3.795 -1.361 + 4918TIP3 H221064 -0.131 -3.889 -1.479 + 4919TIP3 OH221065 -0.068 -3.081 -1.125 + 4919TIP3 H121066 -0.064 -2.984 -1.139 + 4919TIP3 H221067 -0.146 -3.085 -1.066 + 4920TIP3 OH221068 -0.415 -3.109 -2.028 + 4920TIP3 H121069 -0.446 -3.070 -2.112 + 4920TIP3 H221070 -0.414 -3.031 -1.968 + 4921TIP3 OH221071 0.920 -2.969 -1.355 + 4921TIP3 H121072 0.823 -2.957 -1.348 + 4921TIP3 H221073 0.946 -2.882 -1.390 + 4922TIP3 OH221074 0.964 -4.114 -1.182 + 4922TIP3 H121075 0.884 -4.077 -1.222 + 4922TIP3 H221076 1.031 -4.094 -1.251 + 4923TIP3 OH221077 0.270 4.379 -1.485 + 4923TIP3 H121078 0.266 4.285 -1.466 + 4923TIP3 H221079 0.187 4.414 -1.446 + 4924TIP3 OH221080 0.749 -2.774 -1.700 + 4924TIP3 H121081 0.799 -2.854 -1.725 + 4924TIP3 H221082 0.818 -2.705 -1.707 + 4925TIP3 OH221083 0.902 -2.990 -1.834 + 4925TIP3 H121084 0.841 -3.032 -1.897 + 4925TIP3 H221085 0.896 -3.052 -1.759 + 4926TIP3 OH221086 1.055 -3.112 -0.995 + 4926TIP3 H121087 1.037 -3.173 -1.069 + 4926TIP3 H221088 1.062 -3.027 -1.041 + 4927TIP3 OH221089 0.460 -3.424 -2.027 + 4927TIP3 H121090 0.405 -3.357 -2.071 + 4927TIP3 H221091 0.540 -3.426 -2.083 + 4928TIP3 OH221092 0.503 -3.595 -2.318 + 4928TIP3 H121093 0.566 -3.568 -2.249 + 4928TIP3 H221094 0.560 -3.652 -2.371 + 4929TIP3 OH221095 1.222 -3.483 -1.192 + 4929TIP3 H121096 1.145 -3.424 -1.188 + 4929TIP3 H221097 1.269 -3.448 -1.270 + 4930TIP3 OH221098 0.840 -3.421 -1.914 + 4930TIP3 H121099 0.766 -3.394 -1.854 + 4930TIP3 H221100 0.894 -3.476 -1.854 + 4931TIP3 OH221101 0.825 -3.562 -1.020 + 4931TIP3 H121102 0.821 -3.476 -0.975 + 4931TIP3 H221103 0.744 -3.551 -1.076 + 4932TIP3 OH221104 -0.024 -3.326 -1.750 + 4932TIP3 H121105 -0.046 -3.392 -1.819 + 4932TIP3 H221106 0.039 -3.380 -1.697 + 4933TIP3 OH221107 0.133 -2.999 -1.461 + 4933TIP3 H121108 0.126 -3.054 -1.539 + 4933TIP3 H221109 0.208 -3.041 -1.415 + 4934TIP3 OH221110 0.041 -3.445 -1.388 + 4934TIP3 H121111 0.109 -3.455 -1.458 + 4934TIP3 H221112 0.087 -3.390 -1.322 + 4935TIP3 OH221113 0.639 -2.903 -1.324 + 4935TIP3 H121114 0.643 -2.837 -1.252 + 4935TIP3 H221115 0.621 -2.986 -1.276 + 4936TIP3 OH221116 0.132 -3.030 -0.899 + 4936TIP3 H121117 0.078 -2.966 -0.848 + 4936TIP3 H221118 0.068 -3.056 -0.967 + 4937TIP3 OH221119 0.720 -3.469 -2.160 + 4937TIP3 H121120 0.770 -3.445 -2.079 + 4937TIP3 H221121 0.771 -3.418 -2.228 + 4938TIP3 OH221122 -0.178 -3.385 -0.986 + 4938TIP3 H121123 -0.171 -3.326 -0.909 + 4938TIP3 H221124 -0.275 -3.397 -0.992 + 4939TIP3 OH221125 0.461 -2.808 -1.804 + 4939TIP3 H121126 0.514 -2.781 -1.728 + 4939TIP3 H221127 0.418 -2.725 -1.830 + 4940TIP3 OH221128 -0.072 -2.842 -0.819 + 4940TIP3 H121129 -0.080 -2.812 -0.910 + 4940TIP3 H221130 -0.154 -2.806 -0.780 + 4941TIP3 OH221131 1.044 -4.327 -2.235 + 4941TIP3 H121132 0.997 -4.320 -2.150 + 4941TIP3 H221133 1.118 -4.266 -2.219 + 4942TIP3 OH221134 -0.133 -3.457 -1.972 + 4942TIP3 H121135 -0.142 -3.394 -2.046 + 4942TIP3 H221136 -0.184 -3.532 -2.002 + 4943TIP3 OH221137 1.205 -2.881 -2.360 + 4943TIP3 H121138 1.221 -2.788 -2.337 + 4943TIP3 H221139 1.291 -2.922 -2.339 + 4944TIP3 OH221140 -0.505 -3.193 -1.110 + 4944TIP3 H121141 -0.559 -3.198 -1.191 + 4944TIP3 H221142 -0.499 -3.286 -1.082 + 4945TIP3 OH221143 -0.508 -2.900 -1.418 + 4945TIP3 H121144 -0.417 -2.928 -1.399 + 4945TIP3 H221145 -0.525 -2.842 -1.342 + 4946TIP3 OH221146 1.329 -2.841 -0.831 + 4946TIP3 H121147 1.317 -2.935 -0.852 + 4946TIP3 H221148 1.237 -2.817 -0.804 + 4947TIP3 OH221149 0.394 -2.920 -0.955 + 4947TIP3 H121150 0.402 -2.837 -0.903 + 4947TIP3 H221151 0.304 -2.949 -0.931 + 4948TIP3 OH221152 0.422 -2.539 -1.959 + 4948TIP3 H121153 0.426 -2.524 -2.055 + 4948TIP3 H221154 0.424 -2.448 -1.923 + 4949TIP3 OH221155 -0.199 -2.632 -1.797 + 4949TIP3 H121156 -0.178 -2.667 -1.708 + 4949TIP3 H221157 -0.289 -2.666 -1.809 + 4950TIP3 OH221158 0.751 -2.597 -2.240 + 4950TIP3 H121159 0.810 -2.661 -2.283 + 4950TIP3 H221160 0.747 -2.633 -2.148 + 4951TIP3 OH221161 0.691 -2.655 -1.961 + 4951TIP3 H121162 0.596 -2.639 -1.941 + 4951TIP3 H221163 0.710 -2.723 -1.894 + 4952TIP3 OH221164 1.009 -3.707 -0.795 + 4952TIP3 H121165 0.955 -3.666 -0.864 + 4952TIP3 H221166 1.013 -3.799 -0.826 + 4953TIP3 OH221167 -0.299 -3.030 -0.969 + 4953TIP3 H121168 -0.270 -3.075 -0.887 + 4953TIP3 H221169 -0.371 -3.085 -1.002 + 4954TIP3 OH221170 0.026 -4.219 -1.390 + 4954TIP3 H121171 -0.058 -4.243 -1.430 + 4954TIP3 H221172 0.003 -4.136 -1.346 + 4955TIP3 OH221173 0.482 -4.267 -1.033 + 4955TIP3 H121174 0.499 -4.306 -0.946 + 4955TIP3 H221175 0.386 -4.275 -1.039 + 4956TIP3 OH221176 0.781 -3.864 -0.986 + 4956TIP3 H121177 0.719 -3.873 -0.912 + 4956TIP3 H221178 0.772 -3.771 -1.012 + 4957TIP3 OH221179 0.877 -3.362 -2.362 + 4957TIP3 H121180 0.858 -3.380 -2.456 + 4957TIP3 H221181 0.971 -3.337 -2.366 + 4958TIP3 OH221182 0.441 -3.994 -2.315 + 4958TIP3 H121183 0.386 -4.002 -2.236 + 4958TIP3 H221184 0.393 -4.056 -2.375 + 4959TIP3 OH221185 0.004 -3.715 -1.264 + 4959TIP3 H121186 -0.047 -3.703 -1.183 + 4959TIP3 H221187 0.016 -3.624 -1.296 + 4960TIP3 OH221188 0.001 -3.705 -1.774 + 4960TIP3 H121189 -0.093 -3.723 -1.792 + 4960TIP3 H221190 0.040 -3.728 -1.861 + 4961TIP3 OH221191 0.569 -3.666 -1.875 + 4961TIP3 H121192 0.535 -3.576 -1.886 + 4961TIP3 H221193 0.640 -3.669 -1.941 + 4962TIP3 OH221194 0.482 -3.632 -0.760 + 4962TIP3 H121195 0.433 -3.708 -0.722 + 4962TIP3 H221196 0.571 -3.643 -0.720 + 4963TIP3 OH221197 -0.255 -3.698 -1.082 + 4963TIP3 H121198 -0.227 -3.666 -0.995 + 4963TIP3 H221199 -0.293 -3.785 -1.059 + 4964TIP3 OH221200 0.080 -3.937 -2.420 + 4964TIP3 H121201 0.047 -3.979 -2.338 + 4964TIP3 H221202 0.002 -3.931 -2.475 + 4965TIP3 OH221203 -0.571 -3.951 -1.718 + 4965TIP3 H121204 -0.517 -3.954 -1.637 + 4965TIP3 H221205 -0.518 -3.997 -1.783 + 4966TIP3 OH221206 -0.414 -3.911 -2.143 + 4966TIP3 H121207 -0.360 -3.861 -2.207 + 4966TIP3 H221208 -0.486 -3.847 -2.125 + 4967TIP3 OH221209 0.570 -3.557 -1.121 + 4967TIP3 H121210 0.582 -3.561 -1.218 + 4967TIP3 H221211 0.515 -3.634 -1.102 + 4968TIP3 OH221212 0.274 -3.965 -1.684 + 4968TIP3 H121213 0.183 -3.958 -1.651 + 4968TIP3 H221214 0.325 -3.953 -1.602 + 4969TIP3 OH221215 -0.260 -3.825 -1.807 + 4969TIP3 H121216 -0.344 -3.801 -1.850 + 4969TIP3 H221217 -0.235 -3.909 -1.850 + 4970TIP3 OH221218 0.101 -3.787 -2.032 + 4970TIP3 H121219 0.199 -3.786 -2.027 + 4970TIP3 H221220 0.082 -3.732 -2.109 + 4971TIP3 OH221221 0.716 -4.043 -1.374 + 4971TIP3 H121222 0.656 -4.036 -1.296 + 4971TIP3 H221223 0.652 -4.070 -1.441 + 4972TIP3 OH221224 -0.055 -3.665 -2.258 + 4972TIP3 H121225 -0.111 -3.697 -2.330 + 4972TIP3 H221226 0.028 -3.647 -2.306 + 4973TIP3 OH221227 1.012 -2.458 -0.706 + 4973TIP3 H121228 1.036 -2.413 -0.789 + 4973TIP3 H221229 1.081 -2.421 -0.647 + 4974TIP3 OH221230 -0.188 -3.196 -0.760 + 4974TIP3 H121231 -0.121 -3.186 -0.689 + 4974TIP3 H221232 -0.269 -3.201 -0.705 + 4975TIP3 OH221233 0.377 -3.730 -1.518 + 4975TIP3 H121234 0.468 -3.731 -1.546 + 4975TIP3 H221235 0.383 -3.757 -1.425 + 4976TIP3 OH221236 -0.105 -4.066 -1.865 + 4976TIP3 H121237 -0.149 -4.152 -1.855 + 4976TIP3 H221238 -0.020 -4.092 -1.905 + 4977TIP3 OH221239 0.275 -3.853 -1.258 + 4977TIP3 H121240 0.206 -3.786 -1.266 + 4977TIP3 H221241 0.329 -3.821 -1.183 + 4978TIP3 OH221242 0.293 -3.205 -2.079 + 4978TIP3 H121243 0.219 -3.261 -2.111 + 4978TIP3 H221244 0.278 -3.205 -1.982 + 4979TIP3 OH221245 0.992 -3.301 -1.221 + 4979TIP3 H121246 1.046 -3.246 -1.282 + 4979TIP3 H221247 0.907 -3.303 -1.267 + 4980TIP3 OH221248 0.710 -3.930 -2.312 + 4980TIP3 H121249 0.612 -3.939 -2.307 + 4980TIP3 H221250 0.729 -3.864 -2.243 + 4981TIP3 OH221251 0.452 -3.208 -0.946 + 4981TIP3 H121252 0.429 -3.240 -0.857 + 4981TIP3 H221253 0.427 -3.115 -0.942 + 4982TIP3 OH221254 0.772 -3.750 -2.099 + 4982TIP3 H121255 0.857 -3.763 -2.051 + 4982TIP3 H221256 0.780 -3.658 -2.131 + 4983TIP3 OH221257 -0.196 -3.275 -1.498 + 4983TIP3 H121258 -0.121 -3.293 -1.556 + 4983TIP3 H221259 -0.193 -3.352 -1.439 + 4984TIP3 OH221260 0.532 -3.073 -2.189 + 4984TIP3 H121261 0.510 -2.988 -2.146 + 4984TIP3 H221262 0.459 -3.129 -2.157 + 4985TIP3 OH221263 -0.465 -3.445 -0.968 + 4985TIP3 H121264 -0.450 -3.486 -0.881 + 4985TIP3 H221265 -0.529 -3.505 -1.010 + 4986TIP3 OH221266 0.231 -3.494 -0.769 + 4986TIP3 H121267 0.199 -3.516 -0.858 + 4986TIP3 H221268 0.324 -3.520 -0.776 + 4987TIP3 OH221269 0.689 -2.936 -0.994 + 4987TIP3 H121270 0.592 -2.941 -1.004 + 4987TIP3 H221271 0.699 -2.921 -0.899 + 4988TIP3 OH221272 1.239 -3.747 -2.120 + 4988TIP3 H121273 1.179 -3.764 -2.195 + 4988TIP3 H221274 1.249 -3.651 -2.130 + 4989TIP3 OH221275 1.282 -3.141 -0.839 + 4989TIP3 H121276 1.188 -3.120 -0.859 + 4989TIP3 H221277 1.316 -3.158 -0.929 + 4990TIP3 OH221278 1.053 -2.884 -2.112 + 4990TIP3 H121279 1.033 -2.958 -2.053 + 4990TIP3 H221280 1.112 -2.922 -2.177 + 4991TIP3 OH221281 0.003 -2.949 -1.789 + 4991TIP3 H121282 0.084 -2.896 -1.781 + 4991TIP3 H221283 -0.061 -2.877 -1.778 + 4992TIP3 OH221284 -0.359 -3.465 -2.307 + 4992TIP3 H121285 -0.300 -3.397 -2.271 + 4992TIP3 H221286 -0.446 -3.439 -2.272 + 4993TIP3 OH221287 0.227 -3.173 -1.817 + 4993TIP3 H121288 0.211 -3.083 -1.787 + 4993TIP3 H221289 0.178 -3.227 -1.754 + 4994TIP3 OH221290 0.246 -2.748 -1.172 + 4994TIP3 H121291 0.301 -2.671 -1.196 + 4994TIP3 H221292 0.306 -2.796 -1.113 + 4995TIP3 OH221293 0.089 -2.652 -1.848 + 4995TIP3 H121294 -0.006 -2.633 -1.837 + 4995TIP3 H221295 0.128 -2.566 -1.821 + 4996TIP3 OH221296 0.604 -3.161 -1.199 + 4996TIP3 H121297 0.559 -3.199 -1.121 + 4996TIP3 H221298 0.632 -3.242 -1.246 + 4997TIP3 OH221299 0.800 -3.042 -2.321 + 4997TIP3 H121300 0.845 -3.086 -2.247 + 4997TIP3 H221301 0.708 -3.056 -2.294 + 4998TIP3 OH221302 0.883 -2.715 -0.971 + 4998TIP3 H121303 0.806 -2.761 -1.010 + 4998TIP3 H221304 0.890 -2.635 -1.028 + 4999TIP3 OH221305 1.280 -2.613 -2.272 + 4999TIP3 H121306 1.350 -2.547 -2.287 + 4999TIP3 H221307 1.203 -2.553 -2.270 + 5000TIP3 OH221308 -0.334 -3.962 -1.008 + 5000TIP3 H121309 -0.425 -3.943 -1.038 + 5000TIP3 H221310 -0.350 -4.048 -0.963 + 5001TIP3 OH221311 0.899 -3.180 -2.085 + 5001TIP3 H121312 0.873 -3.253 -2.025 + 5001TIP3 H221313 0.996 -3.180 -2.073 + 5002TIP3 OH221314 -0.351 -2.804 -1.165 + 5002TIP3 H121315 -0.326 -2.894 -1.138 + 5002TIP3 H221316 -0.355 -2.762 -1.078 + 5003TIP3 OH221317 0.224 -2.937 -2.464 + 5003TIP3 H121318 0.257 -3.014 -2.513 + 5003TIP3 H221319 0.187 -2.978 -2.385 + 5004TIP3 OH221320 0.106 -2.989 -2.180 + 5004TIP3 H121321 0.173 -3.039 -2.129 + 5004TIP3 H221322 0.127 -2.896 -2.156 + 5005TIP3 OH221323 -0.190 -3.229 -2.129 + 5005TIP3 H121324 -0.280 -3.197 -2.111 + 5005TIP3 H221325 -0.155 -3.159 -2.187 + 5006TIP3 OH221326 0.555 -4.008 -1.141 + 5006TIP3 H121327 0.619 -3.978 -1.075 + 5006TIP3 H221328 0.523 -4.093 -1.105 + 5007TIP3 OH221329 0.644 -4.050 -2.014 + 5007TIP3 H121330 0.649 -3.988 -2.088 + 5007TIP3 H221331 0.677 -3.995 -1.940 + 5008TIP3 OH221332 0.401 -2.826 -2.130 + 5008TIP3 H121333 0.325 -2.769 -2.108 + 5008TIP3 H221334 0.444 -2.774 -2.199 + 5009TIP3 OH221335 0.370 -3.848 -1.926 + 5009TIP3 H121336 0.447 -3.789 -1.908 + 5009TIP3 H221337 0.341 -3.868 -1.835 + 5010TIP3 OH221338 0.399 -3.762 -1.012 + 5010TIP3 H121339 0.411 -3.707 -0.932 + 5010TIP3 H221340 0.459 -3.836 -0.994 + 5011TIP3 OH221341 0.437 -4.170 -1.825 + 5011TIP3 H121342 0.407 -4.094 -1.772 + 5011TIP3 H221343 0.499 -4.128 -1.887 + 5012TIP3 OH221344 0.123 -2.715 -2.129 + 5012TIP3 H121345 0.119 -2.633 -2.183 + 5012TIP3 H221346 0.112 -2.680 -2.039 + 5013TIP3 OH221347 -0.004 -4.052 -2.176 + 5013TIP3 H121348 -0.004 -3.970 -2.124 + 5013TIP3 H221349 0.086 -4.084 -2.155 + 5014TIP3 OH221350 1.040 -3.965 -0.932 + 5014TIP3 H121351 0.944 -3.951 -0.941 + 5014TIP3 H221352 1.060 -3.985 -1.025 + 5015TIP3 OH221353 0.885 -3.587 -1.547 + 5015TIP3 H121354 0.794 -3.566 -1.522 + 5015TIP3 H221355 0.917 -3.645 -1.475 + 5016TIP3 OH221356 -0.163 -2.966 -2.274 + 5016TIP3 H121357 -0.093 -2.911 -2.235 + 5016TIP3 H221358 -0.112 -3.008 -2.344 + 5017TIP3 OH221359 -0.347 -3.745 -2.364 + 5017TIP3 H121360 -0.336 -3.651 -2.341 + 5017TIP3 H221361 -0.434 -3.745 -2.406 + 5018TIP3 OH221362 0.984 -2.690 -1.386 + 5018TIP3 H121363 0.967 -2.606 -1.433 + 5018TIP3 H221364 1.076 -2.675 -1.358 + 5019TIP3 OH221365 -0.338 -4.243 -1.469 + 5019TIP3 H121366 -0.293 -4.243 -1.555 + 5019TIP3 H221367 -0.313 -4.332 -1.439 + 5020TIP3 OH221368 -0.355 -2.897 -1.863 + 5020TIP3 H121369 -0.428 -2.852 -1.817 + 5020TIP3 H221370 -0.330 -2.829 -1.928 + 5021TIP3 OH221371 0.068 -2.683 -0.563 + 5021TIP3 H121372 0.111 -2.768 -0.549 + 5021TIP3 H221373 0.002 -2.704 -0.631 + 5022TIP3 OH221374 0.449 -2.765 -2.416 + 5022TIP3 H121375 0.375 -2.829 -2.423 + 5022TIP3 H221376 0.522 -2.819 -2.450 + 5023TIP3 OH221377 0.690 -2.863 -0.704 + 5023TIP3 H121378 0.650 -2.945 -0.669 + 5023TIP3 H221379 0.759 -2.844 -0.639 + 5024TIP3 OH221380 0.911 -2.776 -2.404 + 5024TIP3 H121381 0.928 -2.855 -2.349 + 5024TIP3 H221382 0.991 -2.771 -2.458 + 5025TIP3 OH221383 -0.429 -3.239 -0.635 + 5025TIP3 H121384 -0.425 -3.328 -0.673 + 5025TIP3 H221385 -0.508 -3.204 -0.681 + 5026TIP3 OH221386 -0.010 -3.195 -2.426 + 5026TIP3 H121387 0.012 -3.255 -2.353 + 5026TIP3 H221388 0.074 -3.194 -2.475 + 5027TIP3 OH221389 0.234 -3.216 -0.696 + 5027TIP3 H121390 0.205 -3.182 -0.782 + 5027TIP3 H221391 0.241 -3.312 -0.711 + 5028TIP3 OH221392 0.510 -3.061 -2.469 + 5028TIP3 H121393 0.512 -3.065 -2.371 + 5028TIP3 H221394 0.510 -3.157 -2.489 + 5029TIP3 OH221395 0.771 -3.251 -0.946 + 5029TIP3 H121396 0.847 -3.202 -0.979 + 5029TIP3 H221397 0.698 -3.190 -0.965 + 5030TIP3 OH221398 -0.345 -3.526 -0.715 + 5030TIP3 H121399 -0.269 -3.586 -0.711 + 5030TIP3 H221400 -0.349 -3.496 -0.623 + 5031TIP3 OH221401 0.097 -3.384 -2.197 + 5031TIP3 H121402 0.048 -3.443 -2.138 + 5031TIP3 H221403 0.133 -3.449 -2.261 + 5032TIP3 OH221404 0.020 -3.610 -0.975 + 5032TIP3 H121405 -0.032 -3.531 -0.951 + 5032TIP3 H221406 0.090 -3.572 -1.031 + 5033TIP3 OH221407 0.196 -3.581 -2.368 + 5033TIP3 H121408 0.192 -3.577 -2.465 + 5033TIP3 H221409 0.292 -3.589 -2.353 + 5034TIP3 OH221410 0.552 -3.338 -0.613 + 5034TIP3 H121411 0.641 -3.357 -0.647 + 5034TIP3 H221412 0.527 -3.422 -0.574 + 5035TIP3 OH221413 1.147 -3.332 -2.438 + 5035TIP3 H121414 1.135 -3.373 -2.525 + 5035TIP3 H221415 1.136 -3.237 -2.461 + 5036TIP3 OH221416 0.080 -3.879 -0.859 + 5036TIP3 H121417 0.091 -3.943 -0.932 + 5036TIP3 H221418 0.061 -3.797 -0.908 + 5037TIP3 OH221419 0.119 -4.040 -1.118 + 5037TIP3 H121420 0.173 -3.981 -1.176 + 5037TIP3 H221421 0.028 -4.025 -1.152 + 5038TIP3 OH221422 0.264 -3.491 -1.075 + 5038TIP3 H121423 0.356 -3.495 -1.107 + 5038TIP3 H221424 0.238 -3.401 -1.103 + 5039TIP3 OH221425 0.726 -3.693 -0.595 + 5039TIP3 H121426 0.746 -3.786 -0.573 + 5039TIP3 H221427 0.814 -3.654 -0.599 + 5040TIP3 OH221428 0.826 -3.416 -0.740 + 5040TIP3 H121429 0.789 -3.355 -0.807 + 5040TIP3 H221430 0.912 -3.434 -0.781 + 5041TIP3 OH221431 -0.097 -3.696 -0.674 + 5041TIP3 H121432 -0.149 -3.778 -0.674 + 5041TIP3 H221433 -0.016 -3.724 -0.719 + 5042TIP3 OH221434 0.165 -4.279 -0.997 + 5042TIP3 H121435 0.181 -4.188 -1.031 + 5042TIP3 H221436 0.071 -4.285 -1.016 + 5043TIP3 OH221437 0.317 -3.848 -0.696 + 5043TIP3 H121438 0.282 -3.871 -0.608 + 5043TIP3 H221439 0.236 -3.864 -0.749 + 5044TIP3 OH221440 0.572 -3.947 -0.803 + 5044TIP3 H121441 0.484 -3.930 -0.765 + 5044TIP3 H221442 0.610 -4.009 -0.738 + 5045TIP3 OH221443 0.749 -4.137 -0.630 + 5045TIP3 H121444 0.730 -4.223 -0.590 + 5045TIP3 H221445 0.731 -4.076 -0.557 + 5046TIP3 OH221446 -0.216 -3.963 -0.686 + 5046TIP3 H121447 -0.245 -4.021 -0.759 + 5046TIP3 H221448 -0.266 -3.997 -0.611 + 5047TIP3 OH221449 0.276 -4.147 -0.583 + 5047TIP3 H121450 0.254 -4.227 -0.635 + 5047TIP3 H221451 0.193 -4.096 -0.586 + 5048TIP3 OH221452 0.172 -2.463 -2.263 + 5048TIP3 H121453 0.266 -2.448 -2.246 + 5048TIP3 H221454 0.161 -2.412 -2.344 + 5049TIP3 OH221455 -0.437 -3.025 -2.301 + 5049TIP3 H121456 -0.342 -3.000 -2.295 + 5049TIP3 H221457 -0.435 -3.097 -2.367 + 5050TIP3 OH221458 -0.592 -2.463 -1.782 + 5050TIP3 H121459 -0.633 -2.509 -1.857 + 5050TIP3 H221460 -0.560 -2.537 -1.728 + 5051TIP3 OH221461 -0.491 -2.703 -1.640 + 5051TIP3 H121462 -0.526 -2.785 -1.602 + 5051TIP3 H221463 -0.458 -2.662 -1.558 + 5052TIP3 OH221464 1.256 -2.575 -1.335 + 5052TIP3 H121465 1.268 -2.572 -1.239 + 5052TIP3 H221466 1.342 -2.542 -1.365 + 5053TIP3 OH221467 1.245 -2.628 -1.048 + 5053TIP3 H121468 1.193 -2.703 -1.081 + 5053TIP3 H221469 1.301 -2.671 -0.982 + 5054TIP3 OH221470 1.047 -3.084 -0.615 + 5054TIP3 H121471 0.958 -3.076 -0.578 + 5054TIP3 H221472 1.090 -3.002 -0.586 + 5055TIP3 OH221473 1.186 -3.195 -2.045 + 5055TIP3 H121474 1.276 -3.163 -2.026 + 5055TIP3 H221475 1.175 -3.258 -1.971 + 5056TIP3 OH221476 1.231 -3.400 -1.848 + 5056TIP3 H121477 1.164 -3.456 -1.804 + 5056TIP3 H221478 1.298 -3.387 -1.778 + 5057TIP3 OH221479 1.202 -3.151 -1.342 + 5057TIP3 H121480 1.262 -3.199 -1.401 + 5057TIP3 H221481 1.212 -3.060 -1.374 + 5058TIP3 OH221482 1.074 -2.859 -1.123 + 5058TIP3 H121483 1.002 -2.818 -1.073 + 5058TIP3 H221484 1.027 -2.893 -1.202 + 5059TIP3 OH221485 1.260 -3.454 -2.190 + 5059TIP3 H121486 1.206 -3.424 -2.266 + 5059TIP3 H221487 1.243 -3.382 -2.127 + 5060TIP3 OH221488 1.083 -3.698 -2.363 + 5060TIP3 H121489 1.111 -3.638 -2.434 + 5060TIP3 H221490 1.059 -3.779 -2.412 + 5061TIP3 OH221491 1.037 -3.590 -1.765 + 5061TIP3 H121492 1.018 -3.683 -1.782 + 5061TIP3 H221493 0.991 -3.578 -1.678 + 5062TIP3 OH221494 -0.491 -3.365 -1.395 + 5062TIP3 H121495 -0.461 -3.358 -1.487 + 5062TIP3 H221496 -0.407 -3.385 -1.349 + 5063TIP3 OH221497 1.086 -3.394 -0.852 + 5063TIP3 H121498 1.161 -3.454 -0.833 + 5063TIP3 H221499 1.130 -3.310 -0.871 + 5064TIP3 OH221500 1.241 -3.583 -0.728 + 5064TIP3 H121501 1.161 -3.635 -0.752 + 5064TIP3 H221502 1.310 -3.653 -0.730 + 5065TIP3 OH221503 1.027 -3.970 -2.447 + 5065TIP3 H121504 1.085 -4.012 -2.381 + 5065TIP3 H221505 0.943 -4.017 -2.436 + 5066TIP3 OH221506 1.005 -3.826 -1.948 + 5066TIP3 H121507 1.021 -3.923 -1.940 + 5066TIP3 H221508 1.089 -3.796 -1.985 + 5067TIP3 OH221509 1.032 -3.783 -1.406 + 5067TIP3 H121510 1.128 -3.766 -1.408 + 5067TIP3 H221511 1.015 -3.774 -1.311 + 5068TIP3 OH221512 1.050 -3.707 -1.122 + 5068TIP3 H121513 0.966 -3.666 -1.093 + 5068TIP3 H221514 1.103 -3.628 -1.143 + 5069TIP3 OH221515 -0.507 -3.836 -0.743 + 5069TIP3 H121516 -0.414 -3.857 -0.760 + 5069TIP3 H221517 -0.548 -3.924 -0.744 + 5070TIP3 OH221518 1.269 -4.275 -0.543 + 5070TIP3 H121519 1.309 -4.359 -0.569 + 5070TIP3 H221520 1.266 -4.219 -0.623 + 5071TIP3 OH221521 1.042 -4.099 -1.940 + 5071TIP3 H121522 1.058 -4.145 -1.856 + 5071TIP3 H221523 0.975 -4.157 -1.981 + 5072TIP3 OH221524 -0.430 -3.990 -1.477 + 5072TIP3 H121525 -0.400 -4.082 -1.464 + 5072TIP3 H221526 -0.356 -3.940 -1.437 + 5073TIP3 OH221527 -0.570 -3.729 -1.373 + 5073TIP3 H121528 -0.508 -3.730 -1.448 + 5073TIP3 H221529 -0.535 -3.656 -1.320 + 5074TIP3 OH221530 1.243 -4.113 -0.759 + 5074TIP3 H121531 1.159 -4.064 -0.751 + 5074TIP3 H221532 1.233 -4.146 -0.850 + 5075TIP3 OH221533 1.250 -4.059 -2.279 + 5075TIP3 H121534 1.271 -4.144 -2.322 + 5075TIP3 H221535 1.336 -4.015 -2.274 + 5076TIP3 OH221536 -0.516 -4.104 -1.966 + 5076TIP3 H121537 -0.611 -4.094 -1.985 + 5076TIP3 H221538 -0.476 -4.034 -2.023 + 5077TIP3 OH221539 0.942 -2.565 -1.756 + 5077TIP3 H121540 0.994 -2.593 -1.834 + 5077TIP3 H221541 1.011 -2.531 -1.698 + 5078TIP3 OH221542 -0.541 -4.127 -1.112 + 5078TIP3 H121543 -0.534 -4.221 -1.087 + 5078TIP3 H221544 -0.559 -4.135 -1.207 + 5079TIP3 OH221545 -0.030 -2.802 -1.117 + 5079TIP3 H121546 -0.065 -2.715 -1.143 + 5079TIP3 H221547 0.066 -2.786 -1.130 + 5080TIP3 OH221548 0.421 -2.671 -0.814 + 5080TIP3 H121549 0.432 -2.682 -0.719 + 5080TIP3 H221550 0.503 -2.622 -0.839 + 5081TIP3 OH221551 0.649 -2.524 -0.881 + 5081TIP3 H121552 0.720 -2.585 -0.905 + 5081TIP3 H221553 0.679 -2.490 -0.795 + 5082TIP3 OH221554 1.106 -4.278 -0.968 + 5082TIP3 H121555 1.057 -4.213 -1.022 + 5082TIP3 H221556 1.127 -4.344 -1.036 + 5083TIP3 OH221557 -0.305 -2.491 -1.092 + 5083TIP3 H121558 -0.373 -2.428 -1.119 + 5083TIP3 H221559 -0.324 -2.497 -0.997 + 5084TIP3 OH221560 -0.051 -2.528 -1.228 + 5084TIP3 H121561 -0.134 -2.506 -1.183 + 5084TIP3 H221562 -0.043 -2.454 -1.292 + 5085TIP3 OH221563 0.430 -2.526 -1.270 + 5085TIP3 H121564 0.393 -2.477 -1.346 + 5085TIP3 H221565 0.439 -2.454 -1.204 + 5086TIP3 OH221566 0.665 -2.651 -1.178 + 5086TIP3 H121567 0.579 -2.616 -1.209 + 5086TIP3 H221568 0.720 -2.572 -1.177 + 5087TIP3 OH221569 0.918 -2.483 -1.155 + 5087TIP3 H121570 0.916 -2.387 -1.173 + 5087TIP3 H221571 0.946 -2.516 -1.242 + 5088TIP3 OH221572 -0.340 -2.628 -1.389 + 5088TIP3 H121573 -0.343 -2.669 -1.300 + 5088TIP3 H221574 -0.256 -2.663 -1.421 + 5089TIP3 OH221575 -0.128 -2.755 -1.555 + 5089TIP3 H121576 -0.148 -2.841 -1.512 + 5089TIP3 H221577 -0.043 -2.731 -1.513 + 5090TIP3 OH221578 0.138 -2.705 -1.453 + 5090TIP3 H121579 0.162 -2.798 -1.470 + 5090TIP3 H221580 0.148 -2.701 -1.357 + 5091TIP3 OH221581 0.477 -4.115 -1.521 + 5091TIP3 H121582 0.410 -4.182 -1.499 + 5091TIP3 H221583 0.532 -4.161 -1.585 + 5092TIP3 OH221584 0.997 -4.340 -1.488 + 5092TIP3 H121585 1.059 -4.288 -1.541 + 5092TIP3 H221586 0.912 -4.298 -1.508 + 5093TIP3 OH221587 1.202 -4.228 -1.695 + 5093TIP3 H121588 1.247 -4.242 -1.779 + 5093TIP3 H221589 1.211 -4.132 -1.682 + 5094TIP3 OH221590 -0.292 -4.285 -1.798 + 5094TIP3 H121591 -0.385 -4.306 -1.812 + 5094TIP3 H221592 -0.260 -4.364 -1.754 + 5095TIP3 OH221593 -0.434 -4.291 -2.169 + 5095TIP3 H121594 -0.388 -4.242 -2.240 + 5095TIP3 H221595 -0.471 -4.218 -2.116 + 5096TIP3 OH221596 0.162 -4.257 -1.786 + 5096TIP3 H121597 0.254 -4.224 -1.783 + 5096TIP3 H221598 0.148 -4.282 -1.694 + 5097TIP3 OH221599 0.705 -4.266 -1.633 + 5097TIP3 H121600 0.745 -4.261 -1.721 + 5097TIP3 H221601 0.704 -4.361 -1.613 + 5098TIP3 OH221602 0.825 -4.273 -2.034 + 5098TIP3 H121603 0.751 -4.209 -2.048 + 5098TIP3 H221604 0.780 -4.358 -2.040 + 5099TIP3 OH221605 -0.394 -2.696 -2.065 + 5099TIP3 H121606 -0.461 -2.706 -2.134 + 5099TIP3 H221607 -0.387 -2.599 -2.063 + 5100TIP3 OH221608 -0.243 -4.125 -2.326 + 5100TIP3 H121609 -0.172 -4.162 -2.382 + 5100TIP3 H221610 -0.189 -4.074 -2.262 + 5101TIP3 OH221611 0.271 -4.059 -2.091 + 5101TIP3 H121612 0.302 -4.141 -2.048 + 5101TIP3 H221613 0.300 -3.990 -2.028 + 5102TIP3 OH221614 0.476 -2.513 -2.251 + 5102TIP3 H121615 0.573 -2.512 -2.256 + 5102TIP3 H221616 0.457 -2.579 -2.321 + 5103TIP3 OH221617 1.128 -2.611 -1.996 + 5103TIP3 H121618 1.104 -2.695 -2.039 + 5103TIP3 H221619 1.122 -2.549 -2.070 + 5104TIP3 OH221620 -0.331 -4.178 -0.845 + 5104TIP3 H121621 -0.375 -4.259 -0.816 + 5104TIP3 H221622 -0.242 -4.214 -0.858 + 5105TIP3 OH221623 -0.038 -4.278 -0.582 + 5105TIP3 H121624 0.049 -4.304 -0.619 + 5105TIP3 H221625 -0.063 -4.358 -0.534 + 5106TIP3 OH221626 -0.250 -2.606 -2.382 + 5106TIP3 H121627 -0.267 -2.573 -2.293 + 5106TIP3 H221628 -0.167 -2.656 -2.371 + 5107TIP3 OH221629 1.074 -2.736 -0.752 + 5107TIP3 H121630 1.002 -2.752 -0.816 + 5107TIP3 H221631 1.061 -2.641 -0.736 + 5108TIP3 OH221632 2.497 -3.368 -1.744 + 5108TIP3 H121633 2.496 -3.272 -1.727 + 5108TIP3 H221634 2.418 -3.378 -1.798 + 5109TIP3 OH221635 2.384 -3.424 -1.436 + 5109TIP3 H121636 2.380 -3.476 -1.355 + 5109TIP3 H221637 2.352 -3.487 -1.502 + 5110TIP3 OH221638 1.632 -3.465 -1.269 + 5110TIP3 H121639 1.628 -3.539 -1.205 + 5110TIP3 H221640 1.699 -3.408 -1.228 + 5111TIP3 OH221641 2.753 -3.144 -1.598 + 5111TIP3 H121642 2.715 -3.211 -1.540 + 5111TIP3 H221643 2.781 -3.077 -1.533 + 5112TIP3 OH221644 1.696 -2.999 -1.419 + 5112TIP3 H121645 1.671 -3.091 -1.442 + 5112TIP3 H221646 1.788 -3.012 -1.394 + 5113TIP3 OH221647 1.395 -3.661 -1.881 + 5113TIP3 H121648 1.356 -3.574 -1.867 + 5113TIP3 H221649 1.320 -3.710 -1.915 + 5114TIP3 OH221650 1.476 -3.413 -1.694 + 5114TIP3 H121651 1.489 -3.496 -1.644 + 5114TIP3 H221652 1.560 -3.404 -1.740 + 5115TIP3 OH221653 2.451 -2.616 -1.548 + 5115TIP3 H121654 2.513 -2.685 -1.577 + 5115TIP3 H221655 2.428 -2.645 -1.459 + 5116TIP3 OH221656 2.231 -3.172 -1.379 + 5116TIP3 H121657 2.265 -3.244 -1.435 + 5116TIP3 H221658 2.311 -3.155 -1.326 + 5117TIP3 OH221659 3.087 -4.018 -1.324 + 5117TIP3 H121660 3.116 -3.978 -1.241 + 5117TIP3 H221661 3.153 -3.981 -1.385 + 5118TIP3 OH221662 2.561 -3.740 -1.326 + 5118TIP3 H121663 2.578 -3.836 -1.325 + 5118TIP3 H221664 2.550 -3.724 -1.421 + 5119TIP3 OH221665 1.857 -3.942 -1.617 + 5119TIP3 H121666 1.872 -3.856 -1.661 + 5119TIP3 H221667 1.822 -3.993 -1.692 + 5120TIP3 OH221668 2.645 -3.926 -1.786 + 5120TIP3 H121669 2.706 -3.963 -1.719 + 5120TIP3 H221670 2.707 -3.874 -1.841 + 5121TIP3 OH221671 1.528 -3.661 -1.570 + 5121TIP3 H121672 1.586 -3.711 -1.510 + 5121TIP3 H221673 1.534 -3.713 -1.652 + 5122TIP3 OH221674 2.066 -3.525 -1.625 + 5122TIP3 H121675 2.135 -3.580 -1.583 + 5122TIP3 H221676 2.013 -3.592 -1.672 + 5123TIP3 OH221677 3.180 -3.847 -1.058 + 5123TIP3 H121678 3.103 -3.796 -1.089 + 5123TIP3 H221679 3.145 -3.888 -0.978 + 5124TIP3 OH221680 1.737 -4.056 -1.201 + 5124TIP3 H121681 1.703 -4.000 -1.273 + 5124TIP3 H221682 1.669 -4.037 -1.133 + 5125TIP3 OH221683 2.491 -3.080 -1.865 + 5125TIP3 H121684 2.453 -3.103 -1.950 + 5125TIP3 H221685 2.444 -2.997 -1.844 + 5126TIP3 OH221686 2.030 -3.270 -1.192 + 5126TIP3 H121687 1.957 -3.210 -1.165 + 5126TIP3 H221688 2.093 -3.208 -1.233 + 5127TIP3 OH221689 2.840 -4.018 -1.581 + 5127TIP3 H121690 2.783 -4.059 -1.514 + 5127TIP3 H221691 2.885 -3.950 -1.528 + 5128TIP3 OH221692 1.698 -3.857 -1.407 + 5128TIP3 H121693 1.760 -3.795 -1.363 + 5128TIP3 H221694 1.755 -3.890 -1.480 + 5129TIP3 OH221695 1.829 -3.083 -1.119 + 5129TIP3 H121696 1.827 -2.990 -1.148 + 5129TIP3 H221697 1.742 -3.088 -1.074 + 5130TIP3 OH221698 1.463 -3.112 -2.030 + 5130TIP3 H121699 1.441 -3.061 -2.110 + 5130TIP3 H221700 1.479 -3.042 -1.963 + 5131TIP3 OH221701 2.818 -2.936 -1.373 + 5131TIP3 H121702 2.722 -2.918 -1.363 + 5131TIP3 H221703 2.855 -2.850 -1.397 + 5132TIP3 OH221704 2.849 -4.111 -1.181 + 5132TIP3 H121705 2.768 -4.077 -1.222 + 5132TIP3 H221706 2.915 -4.095 -1.251 + 5133TIP3 OH221707 2.159 4.381 -1.480 + 5133TIP3 H121708 2.155 4.286 -1.467 + 5133TIP3 H221709 2.072 4.413 -1.447 + 5134TIP3 OH221710 2.637 -2.773 -1.698 + 5134TIP3 H121711 2.687 -2.852 -1.726 + 5134TIP3 H221712 2.704 -2.703 -1.705 + 5135TIP3 OH221713 2.787 -2.992 -1.839 + 5135TIP3 H121714 2.723 -3.035 -1.898 + 5135TIP3 H221715 2.781 -3.049 -1.760 + 5136TIP3 OH221716 2.935 -3.113 -0.981 + 5136TIP3 H121717 2.925 -3.170 -1.059 + 5136TIP3 H221718 2.941 -3.024 -1.023 + 5137TIP3 OH221719 2.361 -3.417 -2.016 + 5137TIP3 H121720 2.294 -3.354 -2.050 + 5137TIP3 H221721 2.432 -3.408 -2.081 + 5138TIP3 OH221722 2.391 -3.596 -2.310 + 5138TIP3 H121723 2.459 -3.565 -2.249 + 5138TIP3 H221724 2.444 -3.652 -2.369 + 5139TIP3 OH221725 3.111 -3.489 -1.193 + 5139TIP3 H121726 3.039 -3.424 -1.183 + 5139TIP3 H221727 3.159 -3.452 -1.270 + 5140TIP3 OH221728 2.713 -3.416 -1.908 + 5140TIP3 H121729 2.644 -3.392 -1.842 + 5140TIP3 H221730 2.773 -3.469 -1.853 + 5141TIP3 OH221731 2.697 -3.562 -1.025 + 5141TIP3 H121732 2.703 -3.482 -0.971 + 5141TIP3 H221733 2.632 -3.530 -1.090 + 5142TIP3 OH221734 1.872 -3.337 -1.730 + 5142TIP3 H121735 1.841 -3.381 -1.812 + 5142TIP3 H221736 1.938 -3.401 -1.697 + 5143TIP3 OH221737 2.009 -2.997 -1.457 + 5143TIP3 H121738 1.998 -3.037 -1.544 + 5143TIP3 H221739 2.088 -3.042 -1.423 + 5144TIP3 OH221740 1.934 -3.459 -1.381 + 5144TIP3 H121741 1.990 -3.451 -1.460 + 5144TIP3 H221742 1.969 -3.389 -1.322 + 5145TIP3 OH221743 2.531 -2.904 -1.324 + 5145TIP3 H121744 2.526 -2.836 -1.254 + 5145TIP3 H221745 2.508 -2.986 -1.277 + 5146TIP3 OH221746 2.014 -3.026 -0.897 + 5146TIP3 H121747 1.965 -2.958 -0.848 + 5146TIP3 H221748 1.950 -3.050 -0.966 + 5147TIP3 OH221749 2.611 -3.474 -2.162 + 5147TIP3 H121750 2.655 -3.442 -2.080 + 5147TIP3 H221751 2.659 -3.421 -2.230 + 5148TIP3 OH221752 1.708 -3.387 -0.985 + 5148TIP3 H121753 1.714 -3.327 -0.909 + 5148TIP3 H221754 1.612 -3.398 -0.993 + 5149TIP3 OH221755 2.354 -2.810 -1.806 + 5149TIP3 H121756 2.400 -2.781 -1.726 + 5149TIP3 H221757 2.304 -2.731 -1.832 + 5150TIP3 OH221758 1.826 -2.810 -0.817 + 5150TIP3 H121759 1.813 -2.802 -0.913 + 5150TIP3 H221760 1.737 -2.833 -0.784 + 5151TIP3 OH221761 2.991 -4.338 -2.163 + 5151TIP3 H121762 2.897 -4.324 -2.143 + 5151TIP3 H221763 3.013 -4.255 -2.207 + 5152TIP3 OH221764 1.765 -3.464 -1.977 + 5152TIP3 H121765 1.744 -3.387 -2.032 + 5152TIP3 H221766 1.697 -3.527 -2.003 + 5153TIP3 OH221767 3.091 -2.881 -2.362 + 5153TIP3 H121768 3.107 -2.788 -2.337 + 5153TIP3 H221769 3.177 -2.923 -2.340 + 5154TIP3 OH221770 1.373 -3.196 -1.104 + 5154TIP3 H121771 1.325 -3.195 -1.189 + 5154TIP3 H221772 1.383 -3.292 -1.088 + 5155TIP3 OH221773 1.377 -2.902 -1.413 + 5155TIP3 H121774 1.469 -2.932 -1.405 + 5155TIP3 H221775 1.369 -2.843 -1.337 + 5156TIP3 OH221776 3.217 -2.846 -0.826 + 5156TIP3 H121777 3.201 -2.939 -0.850 + 5156TIP3 H221778 3.125 -2.818 -0.805 + 5157TIP3 OH221779 2.279 -2.920 -0.954 + 5157TIP3 H121780 2.288 -2.837 -0.902 + 5157TIP3 H221781 2.189 -2.948 -0.930 + 5158TIP3 OH221782 2.309 -2.538 -1.958 + 5158TIP3 H121783 2.308 -2.525 -2.054 + 5158TIP3 H221784 2.310 -2.447 -1.923 + 5159TIP3 OH221785 1.689 -2.625 -1.795 + 5159TIP3 H121786 1.704 -2.669 -1.709 + 5159TIP3 H221787 1.604 -2.664 -1.821 + 5160TIP3 OH221788 2.637 -2.597 -2.241 + 5160TIP3 H121789 2.694 -2.664 -2.283 + 5160TIP3 H221790 2.631 -2.631 -2.149 + 5161TIP3 OH221791 2.577 -2.654 -1.961 + 5161TIP3 H121792 2.482 -2.638 -1.944 + 5161TIP3 H221793 2.595 -2.721 -1.893 + 5162TIP3 OH221794 2.895 -3.709 -0.794 + 5162TIP3 H121795 2.842 -3.668 -0.864 + 5162TIP3 H221796 2.901 -3.801 -0.824 + 5163TIP3 OH221797 1.590 -3.041 -0.981 + 5163TIP3 H121798 1.616 -3.087 -0.898 + 5163TIP3 H221799 1.516 -3.095 -1.013 + 5164TIP3 OH221800 1.909 -4.219 -1.390 + 5164TIP3 H121801 1.824 -4.236 -1.432 + 5164TIP3 H221802 1.890 -4.136 -1.344 + 5165TIP3 OH221803 2.365 -4.263 -1.031 + 5165TIP3 H121804 2.385 -4.309 -0.949 + 5165TIP3 H221805 2.270 -4.277 -1.039 + 5166TIP3 OH221806 2.664 -3.863 -0.989 + 5166TIP3 H121807 2.605 -3.875 -0.912 + 5166TIP3 H221808 2.658 -3.767 -1.006 + 5167TIP3 OH221809 2.763 -3.365 -2.363 + 5167TIP3 H121810 2.744 -3.380 -2.457 + 5167TIP3 H221811 2.855 -3.336 -2.367 + 5168TIP3 OH221812 2.330 -3.996 -2.316 + 5168TIP3 H121813 2.275 -4.004 -2.236 + 5168TIP3 H221814 2.279 -4.054 -2.376 + 5169TIP3 OH221815 1.895 -3.716 -1.262 + 5169TIP3 H121816 1.835 -3.703 -1.186 + 5169TIP3 H221817 1.903 -3.625 -1.297 + 5170TIP3 OH221818 1.889 -3.709 -1.773 + 5170TIP3 H121819 1.793 -3.717 -1.788 + 5170TIP3 H221820 1.923 -3.726 -1.863 + 5171TIP3 OH221821 2.451 -3.652 -1.898 + 5171TIP3 H121822 2.410 -3.569 -1.928 + 5171TIP3 H221823 2.517 -3.666 -1.967 + 5172TIP3 OH221824 2.371 -3.633 -0.765 + 5172TIP3 H121825 2.318 -3.706 -0.725 + 5172TIP3 H221826 2.457 -3.644 -0.720 + 5173TIP3 OH221827 2.536 -3.712 -1.618 + 5173TIP3 H121828 2.507 -3.651 -1.689 + 5173TIP3 H221829 2.552 -3.792 -1.671 + 5174TIP3 OH221830 1.634 -3.698 -1.081 + 5174TIP3 H121831 1.655 -3.667 -0.993 + 5174TIP3 H221832 1.592 -3.784 -1.061 + 5175TIP3 OH221833 1.968 -3.944 -2.422 + 5175TIP3 H121834 1.933 -3.978 -2.338 + 5175TIP3 H221835 1.888 -3.927 -2.473 + 5176TIP3 OH221836 1.313 -3.954 -1.717 + 5176TIP3 H121837 1.368 -3.955 -1.636 + 5176TIP3 H221838 1.370 -3.995 -1.783 + 5177TIP3 OH221839 1.471 -3.911 -2.145 + 5177TIP3 H121840 1.525 -3.859 -2.207 + 5177TIP3 H221841 1.400 -3.847 -2.125 + 5178TIP3 OH221842 2.444 -3.544 -1.174 + 5178TIP3 H121843 2.489 -3.617 -1.222 + 5178TIP3 H221844 2.413 -3.589 -1.094 + 5179TIP3 OH221845 2.167 -3.945 -1.676 + 5179TIP3 H121846 2.072 -3.957 -1.655 + 5179TIP3 H221847 2.208 -3.970 -1.591 + 5180TIP3 OH221848 1.624 -3.826 -1.804 + 5180TIP3 H121849 1.542 -3.797 -1.849 + 5180TIP3 H221850 1.649 -3.908 -1.852 + 5181TIP3 OH221851 1.987 -3.793 -2.036 + 5181TIP3 H121852 2.083 -3.782 -2.032 + 5181TIP3 H221853 1.959 -3.733 -2.107 + 5182TIP3 OH221854 2.601 -4.033 -1.373 + 5182TIP3 H121855 2.541 -4.034 -1.295 + 5182TIP3 H221856 2.539 -4.064 -1.441 + 5183TIP3 OH221857 1.834 -3.674 -2.259 + 5183TIP3 H121858 1.774 -3.695 -2.332 + 5183TIP3 H221859 1.914 -3.648 -2.307 + 5184TIP3 OH221860 2.906 -2.457 -0.704 + 5184TIP3 H121861 2.925 -2.414 -0.789 + 5184TIP3 H221862 2.977 -2.424 -0.647 + 5185TIP3 OH221863 1.696 -3.196 -0.762 + 5185TIP3 H121864 1.764 -3.186 -0.691 + 5185TIP3 H221865 1.616 -3.195 -0.706 + 5186TIP3 OH221866 2.268 -3.695 -1.489 + 5186TIP3 H121867 2.341 -3.739 -1.535 + 5186TIP3 H221868 2.251 -3.755 -1.414 + 5187TIP3 OH221869 1.781 -4.067 -1.868 + 5187TIP3 H121870 1.736 -4.152 -1.854 + 5187TIP3 H221871 1.867 -4.094 -1.902 + 5188TIP3 OH221872 2.165 -3.848 -1.263 + 5188TIP3 H121873 2.089 -3.788 -1.263 + 5188TIP3 H221874 2.214 -3.821 -1.183 + 5189TIP3 OH221875 2.180 -3.211 -2.075 + 5189TIP3 H121876 2.103 -3.260 -2.110 + 5189TIP3 H221877 2.159 -3.204 -1.979 + 5190TIP3 OH221878 2.902 -3.298 -1.201 + 5190TIP3 H121879 2.952 -3.241 -1.264 + 5190TIP3 H221880 2.816 -3.306 -1.247 + 5191TIP3 OH221881 2.597 -3.931 -2.314 + 5191TIP3 H121882 2.498 -3.939 -2.311 + 5191TIP3 H221883 2.615 -3.862 -2.246 + 5192TIP3 OH221884 2.341 -3.210 -0.943 + 5192TIP3 H121885 2.313 -3.239 -0.854 + 5192TIP3 H221886 2.314 -3.116 -0.943 + 5193TIP3 OH221887 2.662 -3.749 -2.100 + 5193TIP3 H121888 2.748 -3.760 -2.056 + 5193TIP3 H221889 2.668 -3.658 -2.135 + 5194TIP3 OH221890 1.694 -3.270 -1.492 + 5194TIP3 H121891 1.749 -3.282 -1.571 + 5194TIP3 H221892 1.702 -3.357 -1.449 + 5195TIP3 OH221893 2.418 -3.073 -2.184 + 5195TIP3 H121894 2.393 -2.987 -2.145 + 5195TIP3 H221895 2.343 -3.128 -2.155 + 5196TIP3 OH221896 1.420 -3.444 -0.967 + 5196TIP3 H121897 1.434 -3.489 -0.881 + 5196TIP3 H221898 1.356 -3.503 -1.012 + 5197TIP3 OH221899 2.116 -3.494 -0.767 + 5197TIP3 H121900 2.081 -3.517 -0.855 + 5197TIP3 H221901 2.210 -3.519 -0.778 + 5198TIP3 OH221902 2.568 -2.956 -0.995 + 5198TIP3 H121903 2.472 -2.940 -1.000 + 5198TIP3 H221904 2.588 -2.923 -0.905 + 5199TIP3 OH221905 3.121 -3.746 -2.118 + 5199TIP3 H121906 3.065 -3.761 -2.198 + 5199TIP3 H221907 3.135 -3.650 -2.130 + 5200TIP3 OH221908 3.168 -3.144 -0.838 + 5200TIP3 H121909 3.074 -3.121 -0.857 + 5200TIP3 H221910 3.201 -3.158 -0.929 + 5201TIP3 OH221911 2.935 -2.885 -2.115 + 5201TIP3 H121912 2.918 -2.957 -2.051 + 5201TIP3 H221913 3.000 -2.924 -2.175 + 5202TIP3 OH221914 2.668 -3.350 -1.370 + 5202TIP3 H121915 2.574 -3.364 -1.394 + 5202TIP3 H221916 2.711 -3.421 -1.421 + 5203TIP3 OH221917 1.931 -2.943 -1.771 + 5203TIP3 H121918 1.973 -2.856 -1.779 + 5203TIP3 H221919 1.839 -2.923 -1.788 + 5204TIP3 OH221920 1.530 -3.463 -2.306 + 5204TIP3 H121921 1.587 -3.394 -2.266 + 5204TIP3 H221922 1.442 -3.437 -2.271 + 5205TIP3 OH221923 2.114 -3.173 -1.806 + 5205TIP3 H121924 2.084 -3.082 -1.791 + 5205TIP3 H221925 2.043 -3.223 -1.762 + 5206TIP3 OH221926 2.131 -2.748 -1.170 + 5206TIP3 H121927 2.185 -2.671 -1.197 + 5206TIP3 H221928 2.192 -2.795 -1.112 + 5207TIP3 OH221929 1.975 -2.652 -1.847 + 5207TIP3 H121930 1.880 -2.637 -1.836 + 5207TIP3 H221931 2.011 -2.565 -1.821 + 5208TIP3 OH221932 2.469 -3.175 -1.214 + 5208TIP3 H121933 2.442 -3.197 -1.123 + 5208TIP3 H221934 2.546 -3.232 -1.227 + 5209TIP3 OH221935 2.688 -3.042 -2.321 + 5209TIP3 H121936 2.730 -3.086 -2.245 + 5209TIP3 H221937 2.595 -3.055 -2.295 + 5210TIP3 OH221938 2.763 -2.710 -0.972 + 5210TIP3 H121939 2.689 -2.755 -1.016 + 5210TIP3 H221940 2.781 -2.635 -1.031 + 5211TIP3 OH221941 3.165 -2.613 -2.274 + 5211TIP3 H121942 3.236 -2.547 -2.281 + 5211TIP3 H221943 3.088 -2.554 -2.265 + 5212TIP3 OH221944 1.552 -3.961 -1.007 + 5212TIP3 H121945 1.461 -3.942 -1.038 + 5212TIP3 H221946 1.536 -4.048 -0.964 + 5213TIP3 OH221947 2.783 -3.184 -2.086 + 5213TIP3 H121948 2.757 -3.252 -2.022 + 5213TIP3 H221949 2.880 -3.180 -2.073 + 5214TIP3 OH221950 1.527 -2.804 -1.166 + 5214TIP3 H121951 1.557 -2.894 -1.146 + 5214TIP3 H221952 1.546 -2.760 -1.083 + 5215TIP3 OH221953 2.113 -2.937 -2.464 + 5215TIP3 H121954 2.141 -3.017 -2.511 + 5215TIP3 H221955 2.070 -2.975 -2.385 + 5216TIP3 OH221956 1.998 -2.985 -2.193 + 5216TIP3 H121957 2.046 -3.036 -2.127 + 5216TIP3 H221958 2.011 -2.893 -2.160 + 5217TIP3 OH221959 1.681 -3.241 -2.152 + 5217TIP3 H121960 1.607 -3.203 -2.100 + 5217TIP3 H221961 1.727 -3.160 -2.180 + 5218TIP3 OH221962 2.446 -4.010 -1.144 + 5218TIP3 H121963 2.503 -3.980 -1.072 + 5218TIP3 H221964 2.406 -4.091 -1.107 + 5219TIP3 OH221965 2.531 -4.061 -2.027 + 5219TIP3 H121966 2.524 -3.999 -2.101 + 5219TIP3 H221967 2.555 -4.001 -1.954 + 5220TIP3 OH221968 2.290 -2.825 -2.131 + 5220TIP3 H121969 2.210 -2.774 -2.109 + 5220TIP3 H221970 2.327 -2.773 -2.203 + 5221TIP3 OH221971 2.258 -3.854 -1.925 + 5221TIP3 H121972 2.328 -3.786 -1.911 + 5221TIP3 H221973 2.225 -3.867 -1.834 + 5222TIP3 OH221974 2.288 -3.762 -1.015 + 5222TIP3 H121975 2.293 -3.709 -0.934 + 5222TIP3 H221976 2.346 -3.836 -0.993 + 5223TIP3 OH221977 2.331 -4.173 -1.822 + 5223TIP3 H121978 2.291 -4.098 -1.774 + 5223TIP3 H221979 2.378 -4.128 -1.893 + 5224TIP3 OH221980 2.011 -2.715 -2.129 + 5224TIP3 H121981 2.005 -2.633 -2.182 + 5224TIP3 H221982 1.997 -2.681 -2.039 + 5225TIP3 OH221983 1.880 -4.050 -2.177 + 5225TIP3 H121984 1.882 -3.969 -2.124 + 5225TIP3 H221985 1.968 -4.087 -2.155 + 5226TIP3 OH221986 2.925 -3.963 -0.932 + 5226TIP3 H121987 2.829 -3.952 -0.942 + 5226TIP3 H221988 2.946 -3.988 -1.023 + 5227TIP3 OH221989 2.769 -3.575 -1.525 + 5227TIP3 H121990 2.685 -3.619 -1.548 + 5227TIP3 H221991 2.816 -3.646 -1.476 + 5228TIP3 OH221992 1.724 -2.960 -2.276 + 5228TIP3 H121993 1.796 -2.910 -2.236 + 5228TIP3 H221994 1.774 -3.010 -2.342 + 5229TIP3 OH221995 1.539 -3.744 -2.366 + 5229TIP3 H121996 1.550 -3.650 -2.342 + 5229TIP3 H221997 1.451 -3.744 -2.406 + 5230TIP3 OH221998 1.558 -4.242 -1.465 + 5230TIP3 H121999 1.592 -4.241 -1.555 + 5230TIP3 H222000 1.573 -4.335 -1.443 + 5231TIP3 OH222001 1.518 -2.892 -1.860 + 5231TIP3 H122002 1.443 -2.838 -1.831 + 5231TIP3 H222003 1.557 -2.836 -1.929 + 5232TIP3 OH222004 1.457 -2.594 -0.739 + 5232TIP3 H122005 1.513 -2.621 -0.663 + 5232TIP3 H222006 1.417 -2.678 -0.766 + 5233TIP3 OH222007 1.923 -2.695 -0.563 + 5233TIP3 H122008 1.998 -2.754 -0.543 + 5233TIP3 H222009 1.906 -2.718 -0.656 + 5234TIP3 OH222010 2.334 -2.766 -2.415 + 5234TIP3 H122011 2.257 -2.826 -2.421 + 5234TIP3 H222012 2.404 -2.824 -2.450 + 5235TIP3 OH222013 2.578 -2.867 -0.708 + 5235TIP3 H122014 2.538 -2.947 -0.669 + 5235TIP3 H222015 2.645 -2.842 -0.642 + 5236TIP3 OH222016 2.798 -2.777 -2.404 + 5236TIP3 H122017 2.811 -2.855 -2.347 + 5236TIP3 H222018 2.880 -2.777 -2.457 + 5237TIP3 OH222019 1.455 -3.236 -0.631 + 5237TIP3 H122020 1.464 -3.325 -0.667 + 5237TIP3 H222021 1.378 -3.204 -0.682 + 5238TIP3 OH222022 1.877 -3.193 -2.430 + 5238TIP3 H122023 1.892 -3.251 -2.353 + 5238TIP3 H222024 1.964 -3.197 -2.474 + 5239TIP3 OH222025 2.119 -3.216 -0.697 + 5239TIP3 H122026 2.088 -3.182 -0.782 + 5239TIP3 H222027 2.124 -3.313 -0.713 + 5240TIP3 OH222028 2.402 -3.059 -2.468 + 5240TIP3 H122029 2.396 -3.064 -2.371 + 5240TIP3 H222030 2.395 -3.155 -2.490 + 5241TIP3 OH222031 2.656 -3.253 -0.959 + 5241TIP3 H122032 2.735 -3.200 -0.976 + 5241TIP3 H222033 2.587 -3.185 -0.959 + 5242TIP3 OH222034 1.541 -3.523 -0.714 + 5242TIP3 H122035 1.616 -3.586 -0.712 + 5242TIP3 H222036 1.536 -3.499 -0.620 + 5243TIP3 OH222037 1.985 -3.385 -2.196 + 5243TIP3 H122038 1.924 -3.435 -2.140 + 5243TIP3 H222039 2.015 -3.454 -2.259 + 5244TIP3 OH222040 1.908 -3.609 -0.970 + 5244TIP3 H122041 1.852 -3.531 -0.951 + 5244TIP3 H222042 1.972 -3.572 -1.033 + 5245TIP3 OH222043 2.080 -3.584 -2.370 + 5245TIP3 H122044 2.076 -3.575 -2.467 + 5245TIP3 H222045 2.176 -3.587 -2.355 + 5246TIP3 OH222046 2.437 -3.338 -0.615 + 5246TIP3 H122047 2.528 -3.356 -0.645 + 5246TIP3 H222048 2.413 -3.422 -0.573 + 5247TIP3 OH222049 3.032 -3.332 -2.438 + 5247TIP3 H122050 3.021 -3.372 -2.525 + 5247TIP3 H222051 3.022 -3.237 -2.460 + 5248TIP3 OH222052 1.966 -3.879 -0.860 + 5248TIP3 H122053 1.974 -3.943 -0.932 + 5248TIP3 H222054 1.945 -3.797 -0.908 + 5249TIP3 OH222055 2.005 -4.039 -1.119 + 5249TIP3 H122056 2.057 -3.980 -1.178 + 5249TIP3 H222057 1.913 -4.025 -1.151 + 5250TIP3 OH222058 2.155 -3.488 -1.072 + 5250TIP3 H122059 2.240 -3.493 -1.119 + 5250TIP3 H222060 2.123 -3.400 -1.101 + 5251TIP3 OH222061 2.611 -3.694 -0.595 + 5251TIP3 H122062 2.633 -3.786 -0.576 + 5251TIP3 H222063 2.700 -3.653 -0.597 + 5252TIP3 OH222064 2.711 -3.415 -0.745 + 5252TIP3 H122065 2.675 -3.353 -0.812 + 5252TIP3 H222066 2.801 -3.428 -0.782 + 5253TIP3 OH222067 1.789 -3.697 -0.674 + 5253TIP3 H122068 1.736 -3.778 -0.676 + 5253TIP3 H222069 1.869 -3.725 -0.722 + 5254TIP3 OH222070 2.051 -4.278 -0.998 + 5254TIP3 H122071 2.066 -4.187 -1.031 + 5254TIP3 H222072 1.957 -4.285 -1.015 + 5255TIP3 OH222073 2.200 -3.845 -0.700 + 5255TIP3 H122074 2.168 -3.871 -0.612 + 5255TIP3 H222075 2.119 -3.863 -0.752 + 5256TIP3 OH222076 2.458 -3.946 -0.803 + 5256TIP3 H122077 2.370 -3.930 -0.765 + 5256TIP3 H222078 2.496 -4.009 -0.739 + 5257TIP3 OH222079 2.632 -4.137 -0.633 + 5257TIP3 H122080 2.618 -4.224 -0.594 + 5257TIP3 H222081 2.618 -4.077 -0.558 + 5258TIP3 OH222082 1.668 -3.960 -0.689 + 5258TIP3 H122083 1.640 -4.020 -0.761 + 5258TIP3 H222084 1.621 -3.997 -0.613 + 5259TIP3 OH222085 2.163 -4.147 -0.589 + 5259TIP3 H122086 2.139 -4.228 -0.636 + 5259TIP3 H222087 2.078 -4.098 -0.584 + 5260TIP3 OH222088 2.058 -2.462 -2.261 + 5260TIP3 H122089 2.153 -2.447 -2.248 + 5260TIP3 H222090 2.043 -2.413 -2.343 + 5261TIP3 OH222091 1.448 -3.020 -2.307 + 5261TIP3 H122092 1.543 -3.001 -2.293 + 5261TIP3 H222093 1.451 -3.099 -2.365 + 5262TIP3 OH222094 1.349 -2.502 -1.834 + 5262TIP3 H122095 1.276 -2.539 -1.887 + 5262TIP3 H222096 1.358 -2.570 -1.764 + 5263TIP3 OH222097 1.388 -2.700 -1.635 + 5263TIP3 H122098 1.357 -2.786 -1.602 + 5263TIP3 H222099 1.421 -2.662 -1.552 + 5264TIP3 OH222100 3.133 -2.622 -1.017 + 5264TIP3 H122101 3.106 -2.663 -1.101 + 5264TIP3 H222102 3.184 -2.693 -0.976 + 5265TIP3 OH222103 2.931 -3.087 -0.614 + 5265TIP3 H122104 2.842 -3.076 -0.578 + 5265TIP3 H222105 2.975 -3.004 -0.589 + 5266TIP3 OH222106 3.072 -3.195 -2.045 + 5266TIP3 H122107 3.162 -3.162 -2.027 + 5266TIP3 H222108 3.062 -3.257 -1.971 + 5267TIP3 OH222109 3.117 -3.401 -1.849 + 5267TIP3 H122110 3.050 -3.454 -1.802 + 5267TIP3 H222111 3.184 -3.385 -1.779 + 5268TIP3 OH222112 3.083 -3.152 -1.346 + 5268TIP3 H122113 3.149 -3.190 -1.405 + 5268TIP3 H222114 3.089 -3.058 -1.371 + 5269TIP3 OH222115 2.953 -2.878 -1.110 + 5269TIP3 H122116 2.891 -2.812 -1.074 + 5269TIP3 H222117 2.926 -2.883 -1.204 + 5270TIP3 OH222118 3.142 -3.455 -2.188 + 5270TIP3 H122119 3.092 -3.425 -2.266 + 5270TIP3 H222120 3.129 -3.381 -2.127 + 5271TIP3 OH222121 2.973 -3.701 -2.362 + 5271TIP3 H122122 2.996 -3.637 -2.430 + 5271TIP3 H222123 2.945 -3.778 -2.415 + 5272TIP3 OH222124 2.911 -3.586 -1.764 + 5272TIP3 H122125 2.900 -3.681 -1.779 + 5272TIP3 H222126 2.873 -3.574 -1.674 + 5273TIP3 OH222127 1.394 -3.366 -1.395 + 5273TIP3 H122128 1.420 -3.358 -1.488 + 5273TIP3 H222129 1.481 -3.385 -1.354 + 5274TIP3 OH222130 2.970 -3.395 -0.850 + 5274TIP3 H122131 3.046 -3.453 -0.831 + 5274TIP3 H222132 3.013 -3.310 -0.871 + 5275TIP3 OH222133 3.128 -3.584 -0.729 + 5275TIP3 H122134 3.047 -3.636 -0.752 + 5275TIP3 H222135 3.196 -3.653 -0.731 + 5276TIP3 OH222136 2.911 -3.969 -2.448 + 5276TIP3 H122137 2.968 -4.012 -2.381 + 5276TIP3 H222138 2.827 -4.017 -2.440 + 5277TIP3 OH222139 2.895 -3.836 -1.945 + 5277TIP3 H122140 2.922 -3.929 -1.943 + 5277TIP3 H222141 2.973 -3.795 -1.987 + 5278TIP3 OH222142 2.920 -3.776 -1.407 + 5278TIP3 H122143 3.017 -3.766 -1.407 + 5278TIP3 H222144 2.903 -3.775 -1.311 + 5279TIP3 OH222145 2.933 -3.706 -1.123 + 5279TIP3 H122146 2.850 -3.665 -1.094 + 5279TIP3 H222147 2.989 -3.628 -1.142 + 5280TIP3 OH222148 1.381 -3.836 -0.741 + 5280TIP3 H122149 1.473 -3.859 -0.760 + 5280TIP3 H222150 1.336 -3.922 -0.745 + 5281TIP3 OH222151 3.151 -4.278 -0.543 + 5281TIP3 H122152 3.203 -4.356 -0.564 + 5281TIP3 H222153 3.155 -4.219 -0.622 + 5282TIP3 OH222154 2.943 -4.120 -1.945 + 5282TIP3 H122155 2.939 -4.144 -1.851 + 5282TIP3 H222156 2.865 -4.166 -1.980 + 5283TIP3 OH222157 1.458 -3.991 -1.478 + 5283TIP3 H122158 1.489 -4.083 -1.462 + 5283TIP3 H222159 1.529 -3.939 -1.436 + 5284TIP3 OH222160 1.319 -3.728 -1.369 + 5284TIP3 H122161 1.373 -3.729 -1.448 + 5284TIP3 H222162 1.353 -3.650 -1.323 + 5285TIP3 OH222163 3.130 -4.111 -0.759 + 5285TIP3 H122164 3.044 -4.064 -0.751 + 5285TIP3 H222165 3.120 -4.146 -0.849 + 5286TIP3 OH222166 3.134 -4.065 -2.273 + 5286TIP3 H122167 3.158 -4.144 -2.324 + 5286TIP3 H222168 3.216 -4.013 -2.273 + 5287TIP3 OH222169 1.371 -4.105 -1.969 + 5287TIP3 H122170 1.276 -4.092 -1.983 + 5287TIP3 H222171 1.410 -4.033 -2.024 + 5288TIP3 OH222172 2.827 -2.562 -1.754 + 5288TIP3 H122173 2.879 -2.593 -1.830 + 5288TIP3 H222174 2.897 -2.536 -1.692 + 5289TIP3 OH222175 1.352 -4.128 -1.112 + 5289TIP3 H122176 1.348 -4.222 -1.087 + 5289TIP3 H222177 1.324 -4.131 -1.205 + 5290TIP3 OH222178 1.569 -2.901 -0.682 + 5290TIP3 H122179 1.496 -2.896 -0.745 + 5290TIP3 H222180 1.524 -2.895 -0.597 + 5291TIP3 OH222181 1.854 -2.799 -1.115 + 5291TIP3 H122182 1.822 -2.713 -1.149 + 5291TIP3 H222183 1.950 -2.788 -1.132 + 5292TIP3 OH222184 2.306 -2.671 -0.814 + 5292TIP3 H122185 2.319 -2.683 -0.718 + 5292TIP3 H222186 2.388 -2.622 -0.839 + 5293TIP3 OH222187 2.533 -2.522 -0.889 + 5293TIP3 H122188 2.604 -2.584 -0.912 + 5293TIP3 H222189 2.563 -2.491 -0.801 + 5294TIP3 OH222190 2.993 -4.277 -0.969 + 5294TIP3 H122191 2.944 -4.213 -1.023 + 5294TIP3 H222192 3.004 -4.348 -1.034 + 5295TIP3 OH222193 1.591 -2.506 -1.081 + 5295TIP3 H122194 1.532 -2.443 -1.125 + 5295TIP3 H222195 1.562 -2.495 -0.989 + 5296TIP3 OH222196 1.840 -2.527 -1.227 + 5296TIP3 H122197 1.756 -2.507 -1.182 + 5296TIP3 H222198 1.845 -2.455 -1.294 + 5297TIP3 OH222199 2.316 -2.525 -1.270 + 5297TIP3 H122200 2.278 -2.479 -1.347 + 5297TIP3 H222201 2.325 -2.452 -1.206 + 5298TIP3 OH222202 2.548 -2.657 -1.179 + 5298TIP3 H122203 2.465 -2.615 -1.209 + 5298TIP3 H222204 2.610 -2.582 -1.184 + 5299TIP3 OH222205 2.808 -2.498 -1.177 + 5299TIP3 H122206 2.799 -2.404 -1.200 + 5299TIP3 H222207 2.858 -2.529 -1.255 + 5300TIP3 OH222208 1.550 -2.623 -1.388 + 5300TIP3 H122209 1.546 -2.671 -1.302 + 5300TIP3 H222210 1.627 -2.667 -1.429 + 5301TIP3 OH222211 1.752 -2.749 -1.545 + 5301TIP3 H122212 1.736 -2.840 -1.515 + 5301TIP3 H222213 1.842 -2.732 -1.511 + 5302TIP3 OH222214 2.026 -2.702 -1.454 + 5302TIP3 H122215 2.046 -2.796 -1.474 + 5302TIP3 H222216 2.034 -2.703 -1.357 + 5303TIP3 OH222217 2.359 -4.112 -1.523 + 5303TIP3 H122218 2.294 -4.181 -1.496 + 5303TIP3 H222219 2.414 -4.161 -1.585 + 5304TIP3 OH222220 2.886 -4.334 -1.482 + 5304TIP3 H122221 2.940 -4.283 -1.543 + 5304TIP3 H222222 2.796 -4.309 -1.507 + 5305TIP3 OH222223 3.091 -4.227 -1.712 + 5305TIP3 H122224 3.157 -4.207 -1.778 + 5305TIP3 H222225 3.087 -4.139 -1.668 + 5306TIP3 OH222226 1.594 -4.285 -1.797 + 5306TIP3 H122227 1.501 -4.304 -1.812 + 5306TIP3 H222228 1.627 -4.364 -1.753 + 5307TIP3 OH222229 1.449 -4.291 -2.168 + 5307TIP3 H122230 1.496 -4.243 -2.239 + 5307TIP3 H222231 1.416 -4.217 -2.114 + 5308TIP3 OH222232 2.042 -4.228 -1.769 + 5308TIP3 H122233 2.137 -4.235 -1.784 + 5308TIP3 H222234 2.027 -4.292 -1.698 + 5309TIP3 OH222235 2.607 -4.266 -1.628 + 5309TIP3 H122236 2.624 -4.265 -1.722 + 5309TIP3 H222237 2.583 -4.358 -1.611 + 5310TIP3 OH222238 2.712 -4.274 -2.044 + 5310TIP3 H122239 2.637 -4.211 -2.052 + 5310TIP3 H222240 2.666 -4.359 -2.035 + 5311TIP3 OH222241 1.492 -2.697 -2.066 + 5311TIP3 H122242 1.428 -2.706 -2.138 + 5311TIP3 H222243 1.491 -2.601 -2.054 + 5312TIP3 OH222244 1.642 -4.128 -2.325 + 5312TIP3 H122245 1.714 -4.160 -2.383 + 5312TIP3 H222246 1.694 -4.074 -2.262 + 5313TIP3 OH222247 2.170 -4.060 -2.098 + 5313TIP3 H122248 2.172 -4.144 -2.048 + 5313TIP3 H222249 2.183 -3.992 -2.029 + 5314TIP3 OH222250 2.363 -2.512 -2.253 + 5314TIP3 H122251 2.460 -2.513 -2.255 + 5314TIP3 H222252 2.342 -2.579 -2.320 + 5315TIP3 OH222253 3.017 -2.612 -1.997 + 5315TIP3 H122254 2.989 -2.695 -2.041 + 5315TIP3 H222255 3.004 -2.547 -2.067 + 5316TIP3 OH222256 1.555 -4.179 -0.846 + 5316TIP3 H122257 1.510 -4.258 -0.815 + 5316TIP3 H222258 1.644 -4.216 -0.857 + 5317TIP3 OH222259 1.848 -4.279 -0.582 + 5317TIP3 H122260 1.935 -4.305 -0.619 + 5317TIP3 H222261 1.824 -4.357 -0.531 + 5318TIP3 OH222262 1.637 -2.603 -2.384 + 5318TIP3 H122263 1.614 -2.573 -2.295 + 5318TIP3 H222264 1.716 -2.657 -2.369 + 5319TIP3 OH222265 2.960 -2.737 -0.751 + 5319TIP3 H122266 2.891 -2.754 -0.818 + 5319TIP3 H222267 2.947 -2.641 -0.738 + 5320TIP3 OH222268 4.300 -3.437 -1.432 + 5320TIP3 H122269 4.256 -3.471 -1.352 + 5320TIP3 H222270 4.242 -3.472 -1.502 + 5321TIP3 OH222271 3.521 -3.467 -1.270 + 5321TIP3 H122272 3.514 -3.539 -1.204 + 5321TIP3 H222273 3.583 -3.407 -1.225 + 5322TIP3 OH222274 3.585 -2.997 -1.418 + 5322TIP3 H122275 3.555 -3.087 -1.441 + 5322TIP3 H222276 3.678 -3.014 -1.396 + 5323TIP3 OH222277 3.279 -3.665 -1.880 + 5323TIP3 H122278 3.246 -3.575 -1.866 + 5323TIP3 H222279 3.204 -3.706 -1.923 + 5324TIP3 OH222280 3.361 -3.415 -1.697 + 5324TIP3 H122281 3.376 -3.495 -1.643 + 5324TIP3 H222282 3.446 -3.403 -1.739 + 5325TIP3 OH222283 4.123 -3.179 -1.365 + 5325TIP3 H122284 4.161 -3.230 -1.438 + 5325TIP3 H222285 4.200 -3.133 -1.331 + 5326TIP3 OH222286 3.744 -3.941 -1.617 + 5326TIP3 H122287 3.760 -3.856 -1.661 + 5326TIP3 H222288 3.708 -3.993 -1.692 + 5327TIP3 OH222289 3.413 -3.663 -1.569 + 5327TIP3 H122290 3.472 -3.711 -1.510 + 5327TIP3 H222291 3.422 -3.714 -1.652 + 5328TIP3 OH222292 3.957 -3.530 -1.619 + 5328TIP3 H122293 4.027 -3.590 -1.586 + 5328TIP3 H222294 3.901 -3.592 -1.669 + 5329TIP3 OH222295 3.624 -4.055 -1.202 + 5329TIP3 H122296 3.588 -3.998 -1.273 + 5329TIP3 H222297 3.557 -4.039 -1.133 + 5330TIP3 OH222298 3.915 -3.275 -1.190 + 5330TIP3 H122299 3.841 -3.217 -1.161 + 5330TIP3 H222300 3.977 -3.211 -1.228 + 5331TIP3 OH222301 3.583 -3.855 -1.408 + 5331TIP3 H122302 3.645 -3.794 -1.363 + 5331TIP3 H222303 3.641 -3.890 -1.479 + 5332TIP3 OH222304 3.716 -3.084 -1.117 + 5332TIP3 H122305 3.713 -2.992 -1.149 + 5332TIP3 H222306 3.628 -3.088 -1.074 + 5333TIP3 OH222307 3.347 -3.115 -2.032 + 5333TIP3 H122308 3.326 -3.062 -2.111 + 5333TIP3 H222309 3.366 -3.045 -1.965 + 5334TIP3 OH222310 4.047 4.380 -1.480 + 5334TIP3 H122311 4.048 4.284 -1.464 + 5334TIP3 H222312 3.959 4.408 -1.446 + 5335TIP3 OH222313 4.276 -3.420 -2.022 + 5335TIP3 H122314 4.204 -3.354 -2.034 + 5335TIP3 H222315 4.330 -3.400 -2.098 + 5336TIP3 OH222316 4.286 -3.580 -2.309 + 5336TIP3 H122317 4.366 -3.585 -2.255 + 5336TIP3 H222318 4.292 -3.660 -2.363 + 5337TIP3 OH222319 3.760 -3.339 -1.730 + 5337TIP3 H122320 3.726 -3.380 -1.812 + 5337TIP3 H222321 3.823 -3.404 -1.698 + 5338TIP3 OH222322 3.895 -3.001 -1.454 + 5338TIP3 H122323 3.886 -3.037 -1.543 + 5338TIP3 H222324 3.976 -3.045 -1.422 + 5339TIP3 OH222325 3.820 -3.461 -1.381 + 5339TIP3 H122326 3.875 -3.452 -1.460 + 5339TIP3 H222327 3.852 -3.389 -1.323 + 5340TIP3 OH222328 3.903 -3.023 -0.900 + 5340TIP3 H122329 3.852 -2.957 -0.850 + 5340TIP3 H222330 3.838 -3.048 -0.968 + 5341TIP3 OH222331 3.594 -3.387 -0.986 + 5341TIP3 H122332 3.601 -3.328 -0.909 + 5341TIP3 H222333 3.498 -3.398 -0.993 + 5342TIP3 OH222334 4.249 -2.815 -1.808 + 5342TIP3 H122335 4.299 -2.762 -1.745 + 5342TIP3 H222336 4.199 -2.746 -1.855 + 5343TIP3 OH222337 3.712 -2.807 -0.816 + 5343TIP3 H122338 3.701 -2.802 -0.912 + 5343TIP3 H222339 3.623 -2.832 -0.785 + 5344TIP3 OH222340 3.650 -3.464 -1.976 + 5344TIP3 H122341 3.631 -3.386 -2.032 + 5344TIP3 H222342 3.581 -3.525 -2.005 + 5345TIP3 OH222343 3.260 -3.197 -1.104 + 5345TIP3 H122344 3.212 -3.192 -1.190 + 5345TIP3 H222345 3.267 -3.292 -1.089 + 5346TIP3 OH222346 3.273 -2.927 -1.416 + 5346TIP3 H122347 3.367 -2.924 -1.395 + 5346TIP3 H222348 3.238 -2.847 -1.371 + 5347TIP3 OH222349 4.172 -2.924 -0.950 + 5347TIP3 H122350 4.183 -2.836 -0.911 + 5347TIP3 H222351 4.080 -2.947 -0.926 + 5348TIP3 OH222352 4.185 -2.539 -1.959 + 5348TIP3 H122353 4.206 -2.533 -2.053 + 5348TIP3 H222354 4.207 -2.451 -1.925 + 5349TIP3 OH222355 3.575 -2.628 -1.795 + 5349TIP3 H122356 3.589 -2.669 -1.707 + 5349TIP3 H222357 3.486 -2.660 -1.816 + 5350TIP3 OH222358 3.477 -3.043 -0.980 + 5350TIP3 H122359 3.502 -3.090 -0.898 + 5350TIP3 H222360 3.401 -3.094 -1.013 + 5351TIP3 OH222361 3.793 -4.217 -1.390 + 5351TIP3 H122362 3.706 -4.233 -1.428 + 5351TIP3 H222363 3.776 -4.136 -1.340 + 5352TIP3 OH222364 4.225 -4.300 -1.026 + 5352TIP3 H122365 4.255 -4.324 -0.937 + 5352TIP3 H222366 4.130 -4.285 -1.012 + 5353TIP3 OH222367 4.227 -3.990 -2.307 + 5353TIP3 H122368 4.161 -4.002 -2.237 + 5353TIP3 H222369 4.189 -4.050 -2.374 + 5354TIP3 OH222370 3.781 -3.715 -1.261 + 5354TIP3 H122371 3.719 -3.705 -1.186 + 5354TIP3 H222372 3.785 -3.624 -1.297 + 5355TIP3 OH222373 3.776 -3.708 -1.772 + 5355TIP3 H122374 3.680 -3.713 -1.788 + 5355TIP3 H222375 3.810 -3.726 -1.862 + 5356TIP3 OH222376 4.282 -3.688 -1.964 + 5356TIP3 H122377 4.255 -3.594 -1.959 + 5356TIP3 H222378 4.366 -3.681 -2.010 + 5357TIP3 OH222379 4.248 -3.626 -0.746 + 5357TIP3 H122380 4.193 -3.706 -0.728 + 5357TIP3 H222381 4.336 -3.669 -0.744 + 5358TIP3 OH222382 3.523 -3.700 -1.080 + 5358TIP3 H122383 3.538 -3.666 -0.991 + 5358TIP3 H222384 3.479 -3.785 -1.061 + 5359TIP3 OH222385 3.861 -3.940 -2.420 + 5359TIP3 H122386 3.821 -3.978 -2.340 + 5359TIP3 H222387 3.785 -3.923 -2.476 + 5360TIP3 OH222388 3.195 -3.964 -1.714 + 5360TIP3 H122389 3.249 -3.953 -1.633 + 5360TIP3 H222390 3.262 -3.985 -1.780 + 5361TIP3 OH222391 3.356 -3.913 -2.141 + 5361TIP3 H122392 3.410 -3.863 -2.205 + 5361TIP3 H222393 3.286 -3.848 -2.124 + 5362TIP3 OH222394 4.334 -3.562 -1.162 + 5362TIP3 H122395 4.380 -3.640 -1.202 + 5362TIP3 H222396 4.277 -3.609 -1.099 + 5363TIP3 OH222397 4.049 -3.948 -1.657 + 5363TIP3 H122398 3.955 -3.965 -1.638 + 5363TIP3 H222399 4.093 -3.980 -1.577 + 5364TIP3 OH222400 3.505 -3.830 -1.801 + 5364TIP3 H122401 3.429 -3.795 -1.852 + 5364TIP3 H222402 3.535 -3.906 -1.853 + 5365TIP3 OH222403 3.870 -3.786 -2.033 + 5365TIP3 H122404 3.966 -3.777 -2.037 + 5365TIP3 H222405 3.839 -3.734 -2.109 + 5366TIP3 OH222406 3.724 -3.674 -2.260 + 5366TIP3 H122407 3.663 -3.694 -2.333 + 5366TIP3 H222408 3.805 -3.652 -2.309 + 5367TIP3 OH222409 3.583 -3.197 -0.761 + 5367TIP3 H122410 3.649 -3.187 -0.690 + 5367TIP3 H222411 3.501 -3.196 -0.707 + 5368TIP3 OH222412 4.162 -3.697 -1.516 + 5368TIP3 H122413 4.207 -3.765 -1.570 + 5368TIP3 H222414 4.148 -3.747 -1.434 + 5369TIP3 OH222415 3.667 -4.066 -1.869 + 5369TIP3 H122416 3.626 -4.153 -1.854 + 5369TIP3 H222417 3.753 -4.090 -1.906 + 5370TIP3 OH222418 4.055 -3.843 -1.271 + 5370TIP3 H122419 3.975 -3.789 -1.269 + 5370TIP3 H222420 4.101 -3.815 -1.189 + 5371TIP3 OH222421 4.074 -3.229 -2.069 + 5371TIP3 H122422 3.994 -3.269 -2.108 + 5371TIP3 H222423 4.047 -3.214 -1.975 + 5372TIP3 OH222424 4.221 -3.215 -0.954 + 5372TIP3 H122425 4.186 -3.240 -0.868 + 5372TIP3 H222426 4.210 -3.118 -0.954 + 5373TIP3 OH222427 3.579 -3.272 -1.492 + 5373TIP3 H122428 3.634 -3.282 -1.571 + 5373TIP3 H222429 3.588 -3.359 -1.448 + 5374TIP3 OH222430 4.287 -3.083 -2.174 + 5374TIP3 H122431 4.260 -2.993 -2.147 + 5374TIP3 H222432 4.210 -3.135 -2.142 + 5375TIP3 OH222433 3.307 -3.447 -0.968 + 5375TIP3 H122434 3.319 -3.488 -0.881 + 5375TIP3 H222435 3.242 -3.505 -1.011 + 5376TIP3 OH222436 4.002 -3.490 -0.765 + 5376TIP3 H122437 3.965 -3.525 -0.848 + 5376TIP3 H222438 4.095 -3.519 -0.772 + 5377TIP3 OH222439 3.816 -2.943 -1.769 + 5377TIP3 H122440 3.856 -2.855 -1.778 + 5377TIP3 H222441 3.723 -2.922 -1.786 + 5378TIP3 OH222442 3.416 -3.463 -2.305 + 5378TIP3 H122443 3.473 -3.394 -2.266 + 5378TIP3 H222444 3.328 -3.435 -2.273 + 5379TIP3 OH222445 3.996 -3.175 -1.803 + 5379TIP3 H122446 3.971 -3.082 -1.791 + 5379TIP3 H222447 3.918 -3.220 -1.765 + 5380TIP3 OH222448 4.021 -2.745 -1.167 + 5380TIP3 H122449 4.077 -2.672 -1.201 + 5380TIP3 H222450 4.085 -2.793 -1.113 + 5381TIP3 OH222451 3.860 -2.652 -1.847 + 5381TIP3 H122452 3.764 -2.638 -1.835 + 5381TIP3 H222453 3.896 -2.566 -1.821 + 5382TIP3 OH222454 3.438 -3.964 -1.012 + 5382TIP3 H122455 3.345 -3.944 -1.038 + 5382TIP3 H222456 3.423 -4.047 -0.962 + 5383TIP3 OH222457 3.420 -2.802 -1.162 + 5383TIP3 H122458 3.440 -2.894 -1.146 + 5383TIP3 H222459 3.437 -2.763 -1.076 + 5384TIP3 OH222460 3.993 -2.933 -2.463 + 5384TIP3 H122461 4.029 -3.009 -2.513 + 5384TIP3 H222462 3.957 -2.977 -2.384 + 5385TIP3 OH222463 3.887 -2.990 -2.188 + 5385TIP3 H122464 3.934 -3.037 -2.118 + 5385TIP3 H222465 3.897 -2.897 -2.160 + 5386TIP3 OH222466 3.567 -3.242 -2.151 + 5386TIP3 H122467 3.493 -3.203 -2.100 + 5386TIP3 H222468 3.613 -3.161 -2.180 + 5387TIP3 OH222469 4.330 -3.928 -1.091 + 5387TIP3 H122470 4.401 -3.994 -1.103 + 5387TIP3 H222471 4.273 -3.963 -1.161 + 5388TIP3 OH222472 4.167 -2.826 -2.136 + 5388TIP3 H122473 4.089 -2.773 -2.112 + 5388TIP3 H222474 4.211 -2.766 -2.198 + 5389TIP3 OH222475 4.141 -3.908 -1.912 + 5389TIP3 H122476 4.199 -3.829 -1.921 + 5389TIP3 H222477 4.109 -3.897 -1.819 + 5390TIP3 OH222478 4.153 -3.756 -1.003 + 5390TIP3 H122479 4.180 -3.711 -0.922 + 5390TIP3 H222480 4.222 -3.826 -1.010 + 5391TIP3 OH222481 4.205 -4.173 -1.799 + 5391TIP3 H122482 4.173 -4.084 -1.774 + 5391TIP3 H222483 4.272 -4.152 -1.867 + 5392TIP3 OH222484 3.893 -2.718 -2.130 + 5392TIP3 H122485 3.891 -2.636 -2.184 + 5392TIP3 H222486 3.880 -2.683 -2.040 + 5393TIP3 OH222487 3.766 -4.051 -2.177 + 5393TIP3 H122488 3.767 -3.968 -2.126 + 5393TIP3 H222489 3.857 -4.083 -2.157 + 5394TIP3 OH222490 3.611 -2.962 -2.275 + 5394TIP3 H122491 3.681 -2.909 -2.235 + 5394TIP3 H222492 3.662 -3.010 -2.342 + 5395TIP3 OH222493 3.421 -3.746 -2.361 + 5395TIP3 H122494 3.436 -3.651 -2.341 + 5395TIP3 H222495 3.337 -3.742 -2.409 + 5396TIP3 OH222496 3.455 -4.241 -1.463 + 5396TIP3 H122497 3.487 -4.249 -1.554 + 5396TIP3 H222498 3.451 -4.334 -1.438 + 5397TIP3 OH222499 3.404 -2.899 -1.868 + 5397TIP3 H122500 3.339 -2.845 -1.820 + 5397TIP3 H222501 3.443 -2.834 -1.929 + 5398TIP3 OH222502 3.351 -2.598 -0.744 + 5398TIP3 H122503 3.403 -2.628 -0.668 + 5398TIP3 H222504 3.307 -2.681 -0.772 + 5399TIP3 OH222505 3.818 -2.691 -0.564 + 5399TIP3 H122506 3.883 -2.761 -0.544 + 5399TIP3 H222507 3.790 -2.717 -0.654 + 5400TIP3 OH222508 4.231 -2.768 -2.432 + 5400TIP3 H122509 4.147 -2.819 -2.430 + 5400TIP3 H222510 4.293 -2.841 -2.445 + 5401TIP3 OH222511 3.341 -3.235 -0.631 + 5401TIP3 H122512 3.350 -3.326 -0.666 + 5401TIP3 H222513 3.264 -3.204 -0.681 + 5402TIP3 OH222514 3.762 -3.193 -2.430 + 5402TIP3 H122515 3.780 -3.251 -2.354 + 5402TIP3 H222516 3.848 -3.195 -2.476 + 5403TIP3 OH222517 4.012 -3.213 -0.701 + 5403TIP3 H122518 3.975 -3.181 -0.785 + 5403TIP3 H222519 4.015 -3.310 -0.713 + 5404TIP3 OH222520 4.261 -3.060 -2.474 + 5404TIP3 H122521 4.278 -3.049 -2.379 + 5404TIP3 H222522 4.244 -3.156 -2.479 + 5405TIP3 OH222523 3.428 -3.523 -0.714 + 5405TIP3 H122524 3.501 -3.586 -0.711 + 5405TIP3 H222525 3.421 -3.499 -0.621 + 5406TIP3 OH222526 3.871 -3.387 -2.197 + 5406TIP3 H122527 3.808 -3.437 -2.143 + 5406TIP3 H222528 3.902 -3.455 -2.259 + 5407TIP3 OH222529 3.798 -3.605 -0.967 + 5407TIP3 H122530 3.738 -3.531 -0.949 + 5407TIP3 H222531 3.852 -3.569 -1.040 + 5408TIP3 OH222532 3.978 -3.586 -2.367 + 5408TIP3 H122533 3.969 -3.578 -2.464 + 5408TIP3 H222534 4.074 -3.572 -2.357 + 5409TIP3 OH222535 4.284 -3.359 -0.601 + 5409TIP3 H122536 4.358 -3.391 -0.653 + 5409TIP3 H222537 4.267 -3.439 -0.547 + 5410TIP3 OH222538 3.855 -3.878 -0.856 + 5410TIP3 H122539 3.862 -3.943 -0.927 + 5410TIP3 H222540 3.838 -3.796 -0.905 + 5411TIP3 OH222541 3.892 -4.037 -1.122 + 5411TIP3 H122542 3.939 -3.977 -1.182 + 5411TIP3 H222543 3.798 -4.026 -1.150 + 5412TIP3 OH222544 4.063 -3.489 -1.078 + 5412TIP3 H122545 4.138 -3.491 -1.137 + 5412TIP3 H222546 4.024 -3.401 -1.095 + 5413TIP3 OH222547 3.675 -3.697 -0.677 + 5413TIP3 H122548 3.621 -3.778 -0.676 + 5413TIP3 H222549 3.755 -3.728 -0.722 + 5414TIP3 OH222550 3.941 -4.275 -0.998 + 5414TIP3 H122551 3.944 -4.183 -1.033 + 5414TIP3 H222552 3.850 -4.298 -1.019 + 5415TIP3 OH222553 4.103 -3.852 -0.703 + 5415TIP3 H122554 4.075 -3.889 -0.618 + 5415TIP3 H222555 4.026 -3.875 -0.758 + 5416TIP3 OH222556 3.548 -3.958 -0.691 + 5416TIP3 H122557 3.525 -4.023 -0.760 + 5416TIP3 H222558 3.510 -3.998 -0.612 + 5417TIP3 OH222559 4.054 -4.144 -0.589 + 5417TIP3 H122560 4.032 -4.230 -0.631 + 5417TIP3 H222561 3.967 -4.101 -0.583 + 5418TIP3 OH222562 3.957 -2.465 -2.260 + 5418TIP3 H122563 4.052 -2.455 -2.250 + 5418TIP3 H222564 3.942 -2.412 -2.340 + 5419TIP3 OH222565 3.334 -3.020 -2.308 + 5419TIP3 H122566 3.429 -3.001 -2.293 + 5419TIP3 H222567 3.337 -3.099 -2.365 + 5420TIP3 OH222568 3.237 -2.503 -1.832 + 5420TIP3 H122569 3.161 -2.538 -1.883 + 5420TIP3 H222570 3.246 -2.570 -1.761 + 5421TIP3 OH222571 3.286 -2.704 -1.641 + 5421TIP3 H122572 3.243 -2.785 -1.608 + 5421TIP3 H222573 3.280 -2.652 -1.559 + 5422TIP3 OH222574 3.280 -3.371 -1.395 + 5422TIP3 H122575 3.304 -3.355 -1.487 + 5422TIP3 H222576 3.368 -3.385 -1.355 + 5423TIP3 OH222577 3.266 -3.836 -0.744 + 5423TIP3 H122578 3.359 -3.860 -0.755 + 5423TIP3 H222579 3.223 -3.922 -0.744 + 5424TIP3 OH222580 3.345 -3.995 -1.478 + 5424TIP3 H122581 3.381 -4.085 -1.462 + 5424TIP3 H222582 3.414 -3.940 -1.437 + 5425TIP3 OH222583 3.204 -3.730 -1.374 + 5425TIP3 H122584 3.263 -3.724 -1.450 + 5425TIP3 H222585 3.235 -3.655 -1.320 + 5426TIP3 OH222586 3.239 -4.128 -1.972 + 5426TIP3 H122587 3.148 -4.096 -1.983 + 5426TIP3 H222588 3.290 -4.056 -2.015 + 5427TIP3 OH222589 3.226 -4.127 -1.111 + 5427TIP3 H122590 3.240 -4.220 -1.085 + 5427TIP3 H222591 3.212 -4.136 -1.206 + 5428TIP3 OH222592 3.457 -2.900 -0.679 + 5428TIP3 H122593 3.385 -2.898 -0.744 + 5428TIP3 H222594 3.408 -2.899 -0.596 + 5429TIP3 OH222595 3.742 -2.799 -1.113 + 5429TIP3 H122596 3.705 -2.716 -1.148 + 5429TIP3 H222597 3.837 -2.785 -1.132 + 5430TIP3 OH222598 4.220 -2.637 -0.825 + 5430TIP3 H122599 4.205 -2.672 -0.736 + 5430TIP3 H222600 4.315 -2.614 -0.818 + 5431TIP3 OH222601 3.484 -2.500 -1.075 + 5431TIP3 H122602 3.422 -2.451 -1.132 + 5431TIP3 H222603 3.434 -2.503 -0.993 + 5432TIP3 OH222604 3.732 -2.523 -1.221 + 5432TIP3 H122605 3.644 -2.510 -1.180 + 5432TIP3 H222606 3.729 -2.458 -1.294 + 5433TIP3 OH222607 4.198 -2.549 -1.269 + 5433TIP3 H122608 4.177 -2.500 -1.351 + 5433TIP3 H222609 4.256 -2.488 -1.223 + 5434TIP3 OH222610 3.448 -2.609 -1.376 + 5434TIP3 H122611 3.420 -2.663 -1.300 + 5434TIP3 H222612 3.504 -2.670 -1.426 + 5435TIP3 OH222613 3.635 -2.749 -1.547 + 5435TIP3 H122614 3.617 -2.839 -1.513 + 5435TIP3 H222615 3.722 -2.729 -1.507 + 5436TIP3 OH222616 3.914 -2.697 -1.454 + 5436TIP3 H122617 3.931 -2.791 -1.476 + 5436TIP3 H222618 3.918 -2.699 -1.358 + 5437TIP3 OH222619 4.247 -4.133 -1.520 + 5437TIP3 H122620 4.179 -4.201 -1.500 + 5437TIP3 H222621 4.292 -4.173 -1.595 + 5438TIP3 OH222622 3.483 -4.283 -1.794 + 5438TIP3 H122623 3.392 -4.313 -1.798 + 5438TIP3 H222624 3.530 -4.357 -1.754 + 5439TIP3 OH222625 3.333 -4.300 -2.170 + 5439TIP3 H122626 3.379 -4.248 -2.237 + 5439TIP3 H222627 3.290 -4.230 -2.117 + 5440TIP3 OH222628 3.935 -4.238 -1.784 + 5440TIP3 H122629 4.032 -4.226 -1.778 + 5440TIP3 H222630 3.917 -4.292 -1.706 + 5441TIP3 OH222631 3.384 -2.694 -2.071 + 5441TIP3 H122632 3.314 -2.706 -2.136 + 5441TIP3 H222633 3.374 -2.601 -2.050 + 5442TIP3 OH222634 3.527 -4.129 -2.324 + 5442TIP3 H122635 3.598 -4.161 -2.383 + 5442TIP3 H222636 3.580 -4.074 -2.263 + 5443TIP3 OH222637 4.044 -4.069 -2.101 + 5443TIP3 H122638 4.062 -4.155 -2.059 + 5443TIP3 H222639 4.065 -4.006 -2.029 + 5444TIP3 OH222640 4.264 -2.533 -2.253 + 5444TIP3 H122641 4.351 -2.494 -2.272 + 5444TIP3 H222642 4.249 -2.590 -2.331 + 5445TIP3 OH222643 3.441 -4.177 -0.846 + 5445TIP3 H122644 3.393 -4.255 -0.814 + 5445TIP3 H222645 3.528 -4.218 -0.857 + 5446TIP3 OH222646 3.735 -4.281 -0.580 + 5446TIP3 H122647 3.822 -4.307 -0.618 + 5446TIP3 H222648 3.711 -4.361 -0.532 + 5447TIP3 OH222649 3.524 -2.599 -2.384 + 5447TIP3 H122650 3.499 -2.579 -2.293 + 5447TIP3 H222651 3.600 -2.658 -2.371 + 5448TIP3 OH222652 -3.157 -1.484 -1.749 + 5448TIP3 H122653 -3.158 -1.388 -1.734 + 5448TIP3 H222654 -3.231 -1.494 -1.812 + 5449TIP3 OH222655 -3.261 -1.536 -1.434 + 5449TIP3 H122656 -3.271 -1.592 -1.355 + 5449TIP3 H222657 -3.295 -1.596 -1.503 + 5450TIP3 OH222658 -4.027 -1.580 -1.271 + 5450TIP3 H122659 -4.032 -1.652 -1.206 + 5450TIP3 H222660 -3.960 -1.523 -1.232 + 5451TIP3 OH222661 -2.908 -1.260 -1.599 + 5451TIP3 H122662 -2.939 -1.333 -1.544 + 5451TIP3 H222663 -2.876 -1.198 -1.532 + 5452TIP3 OH222664 -3.959 -1.119 -1.414 + 5452TIP3 H122665 -3.987 -1.207 -1.443 + 5452TIP3 H222666 -3.864 -1.134 -1.403 + 5453TIP3 OH222667 -4.167 -1.676 -1.925 + 5453TIP3 H122668 -4.220 -1.606 -1.883 + 5453TIP3 H222669 -4.226 -1.751 -1.908 + 5454TIP3 OH222670 -4.212 -1.523 -1.683 + 5454TIP3 H122671 -4.186 -1.604 -1.635 + 5454TIP3 H222672 -4.131 -1.499 -1.730 + 5455TIP3 OH222673 -3.200 -0.726 -1.547 + 5455TIP3 H122674 -3.142 -0.798 -1.579 + 5455TIP3 H222675 -3.229 -0.760 -1.461 + 5456TIP3 OH222676 -3.424 -1.288 -1.376 + 5456TIP3 H122677 -3.392 -1.356 -1.438 + 5456TIP3 H222678 -3.342 -1.270 -1.328 + 5457TIP3 OH222679 -2.578 -2.109 -1.329 + 5457TIP3 H122680 -2.542 -2.067 -1.249 + 5457TIP3 H222681 -2.504 -2.093 -1.391 + 5458TIP3 OH222682 -3.092 -1.848 -1.327 + 5458TIP3 H122683 -3.082 -1.945 -1.321 + 5458TIP3 H222684 -3.093 -1.834 -1.423 + 5459TIP3 OH222685 -3.799 -2.052 -1.620 + 5459TIP3 H122686 -3.786 -1.966 -1.665 + 5459TIP3 H222687 -3.835 -2.105 -1.694 + 5460TIP3 OH222688 -3.006 -2.021 -1.787 + 5460TIP3 H122689 -2.951 -2.083 -1.735 + 5460TIP3 H222690 -2.962 -2.020 -1.875 + 5461TIP3 OH222691 -4.138 -1.775 -1.568 + 5461TIP3 H122692 -4.080 -1.819 -1.503 + 5461TIP3 H222693 -4.121 -1.829 -1.647 + 5462TIP3 OH222694 -3.590 -1.642 -1.620 + 5462TIP3 H122695 -3.519 -1.698 -1.584 + 5462TIP3 H222696 -3.642 -1.707 -1.672 + 5463TIP3 OH222697 -2.474 -1.988 -1.071 + 5463TIP3 H122698 -2.544 -1.923 -1.087 + 5463TIP3 H222699 -2.487 -2.011 -0.978 + 5464TIP3 OH222700 -3.919 -2.170 -1.202 + 5464TIP3 H122701 -3.963 -2.126 -1.276 + 5464TIP3 H222702 -3.981 -2.152 -1.129 + 5465TIP3 OH222703 -3.168 -1.196 -1.864 + 5465TIP3 H122704 -3.201 -1.219 -1.952 + 5465TIP3 H222705 -3.215 -1.112 -1.845 + 5466TIP3 OH222706 -3.624 -1.384 -1.190 + 5466TIP3 H122707 -3.698 -1.324 -1.164 + 5466TIP3 H222708 -3.564 -1.323 -1.237 + 5467TIP3 OH222709 -2.828 -2.097 -1.580 + 5467TIP3 H122710 -2.863 -2.171 -1.528 + 5467TIP3 H222711 -2.764 -2.060 -1.516 + 5468TIP3 OH222712 -3.957 -1.966 -1.411 + 5468TIP3 H122713 -3.893 -1.908 -1.366 + 5468TIP3 H222714 -3.900 -2.003 -1.482 + 5469TIP3 OH222715 -3.826 -1.197 -1.113 + 5469TIP3 H122716 -3.829 -1.108 -1.152 + 5469TIP3 H222717 -3.916 -1.202 -1.077 + 5470TIP3 OH222718 -4.186 -1.241 -2.022 + 5470TIP3 H122719 -4.261 -1.219 -2.081 + 5470TIP3 H222720 -4.188 -1.167 -1.959 + 5471TIP3 OH222721 -2.850 -1.078 -1.355 + 5471TIP3 H122722 -2.945 -1.058 -1.357 + 5471TIP3 H222723 -2.811 -0.992 -1.379 + 5472TIP3 OH222724 -2.820 -2.195 -1.199 + 5472TIP3 H122725 -2.898 -2.158 -1.244 + 5472TIP3 H222726 -2.749 -2.175 -1.262 + 5473TIP3 OH222727 -3.506 -2.422 -1.496 + 5473TIP3 H122728 -3.526 -2.517 -1.500 + 5473TIP3 H222729 -3.588 -2.386 -1.457 + 5474TIP3 OH222730 -3.018 -0.889 -1.692 + 5474TIP3 H122731 -2.971 -0.968 -1.726 + 5474TIP3 H222732 -2.951 -0.819 -1.706 + 5475TIP3 OH222733 -2.872 -1.105 -1.837 + 5475TIP3 H122734 -2.930 -1.148 -1.901 + 5475TIP3 H222735 -2.880 -1.165 -1.761 + 5476TIP3 OH222736 -3.283 -1.530 -2.017 + 5476TIP3 H122737 -3.350 -1.469 -2.053 + 5476TIP3 H222738 -3.218 -1.533 -2.090 + 5477TIP3 OH222739 -3.261 -1.697 -2.313 + 5477TIP3 H122740 -3.191 -1.687 -2.247 + 5477TIP3 H222741 -3.228 -1.774 -2.361 + 5478TIP3 OH222742 -2.559 -1.598 -1.195 + 5478TIP3 H122743 -2.621 -1.525 -1.179 + 5478TIP3 H222744 -2.504 -1.561 -1.267 + 5479TIP3 OH222745 -2.922 -1.547 -1.879 + 5479TIP3 H122746 -2.993 -1.500 -1.831 + 5479TIP3 H222747 -2.957 -1.636 -1.880 + 5480TIP3 OH222748 -2.956 -1.679 -1.026 + 5480TIP3 H122749 -2.954 -1.604 -0.963 + 5480TIP3 H222750 -3.024 -1.648 -1.089 + 5481TIP3 OH222751 -3.782 -1.451 -1.730 + 5481TIP3 H122752 -3.817 -1.491 -1.812 + 5481TIP3 H222753 -3.718 -1.518 -1.700 + 5482TIP3 OH222754 -3.650 -1.115 -1.454 + 5482TIP3 H122755 -3.660 -1.146 -1.545 + 5482TIP3 H222756 -3.568 -1.159 -1.426 + 5483TIP3 OH222757 -3.725 -1.572 -1.380 + 5483TIP3 H122758 -3.671 -1.567 -1.461 + 5483TIP3 H222759 -3.687 -1.503 -1.324 + 5484TIP3 OH222760 -3.129 -1.017 -1.324 + 5484TIP3 H122761 -3.134 -0.950 -1.255 + 5484TIP3 H222762 -3.152 -1.100 -1.278 + 5485TIP3 OH222763 -3.639 -1.140 -0.896 + 5485TIP3 H122764 -3.690 -1.067 -0.854 + 5485TIP3 H222765 -3.700 -1.165 -0.968 + 5486TIP3 OH222766 -3.044 -1.609 -2.147 + 5486TIP3 H122767 -2.979 -1.589 -2.078 + 5486TIP3 H222768 -2.997 -1.574 -2.226 + 5487TIP3 OH222769 -3.955 -1.505 -0.982 + 5487TIP3 H122770 -3.949 -1.447 -0.904 + 5487TIP3 H222771 -4.052 -1.508 -0.994 + 5488TIP3 OH222772 -3.302 -0.925 -1.804 + 5488TIP3 H122773 -3.258 -0.891 -1.726 + 5488TIP3 H222774 -3.353 -0.848 -1.836 + 5489TIP3 OH222775 -3.833 -0.931 -0.816 + 5489TIP3 H122776 -3.841 -0.917 -0.913 + 5489TIP3 H222777 -3.926 -0.941 -0.789 + 5490TIP3 OH222778 -2.704 -2.408 -2.205 + 5490TIP3 H122779 -2.790 -2.395 -2.161 + 5490TIP3 H222780 -2.673 -2.316 -2.213 + 5491TIP3 OH222781 -3.891 -1.579 -1.979 + 5491TIP3 H122782 -3.916 -1.502 -2.033 + 5491TIP3 H222783 -3.971 -1.633 -1.985 + 5492TIP3 OH222784 -2.567 -0.994 -2.364 + 5492TIP3 H122785 -2.552 -0.902 -2.336 + 5492TIP3 H222786 -2.482 -1.036 -2.339 + 5493TIP3 OH222787 -4.264 -1.295 -1.124 + 5493TIP3 H122788 -4.286 -1.327 -1.213 + 5493TIP3 H222789 -4.308 -1.363 -1.069 + 5494TIP3 OH222790 -4.284 -1.020 -1.424 + 5494TIP3 H122791 -4.196 -1.057 -1.408 + 5494TIP3 H222792 -4.298 -0.965 -1.347 + 5495TIP3 OH222793 -3.367 -1.041 -0.956 + 5495TIP3 H122794 -3.354 -0.957 -0.907 + 5495TIP3 H222795 -3.459 -1.063 -0.934 + 5496TIP3 OH222796 -3.344 -0.652 -1.955 + 5496TIP3 H122797 -3.351 -0.645 -2.052 + 5496TIP3 H222798 -3.342 -0.559 -1.927 + 5497TIP3 OH222799 -3.957 -0.745 -1.783 + 5497TIP3 H122800 -3.957 -0.791 -1.696 + 5497TIP3 H222801 -4.044 -0.771 -1.818 + 5498TIP3 OH222802 -3.017 -0.708 -2.237 + 5498TIP3 H122803 -2.964 -0.776 -2.282 + 5498TIP3 H222804 -3.025 -0.746 -2.147 + 5499TIP3 OH222805 -3.079 -0.769 -1.959 + 5499TIP3 H122806 -3.174 -0.752 -1.946 + 5499TIP3 H222807 -3.065 -0.839 -1.893 + 5500TIP3 OH222808 -2.770 -1.820 -0.798 + 5500TIP3 H122809 -2.813 -1.784 -0.877 + 5500TIP3 H222810 -2.762 -1.915 -0.822 + 5501TIP3 OH222811 -4.074 -1.155 -0.973 + 5501TIP3 H122812 -4.043 -1.219 -0.906 + 5501TIP3 H222813 -4.148 -1.203 -1.017 + 5502TIP3 OH222814 -3.749 -2.309 -1.402 + 5502TIP3 H122815 -3.830 -2.318 -1.455 + 5502TIP3 H222816 -3.774 -2.235 -1.344 + 5503TIP3 OH222817 -3.311 -2.350 -1.038 + 5503TIP3 H122818 -3.257 -2.403 -0.976 + 5503TIP3 H222819 -3.400 -2.387 -1.025 + 5504TIP3 OH222820 -3.000 -1.972 -0.992 + 5504TIP3 H122821 -3.053 -1.988 -0.912 + 5504TIP3 H222822 -3.000 -1.875 -1.000 + 5505TIP3 OH222823 -2.908 -1.492 -2.361 + 5505TIP3 H122824 -2.922 -1.505 -2.456 + 5505TIP3 H222825 -2.816 -1.462 -2.359 + 5506TIP3 OH222826 -3.310 -2.097 -2.329 + 5506TIP3 H122827 -3.340 -2.104 -2.238 + 5506TIP3 H222828 -3.357 -2.170 -2.372 + 5507TIP3 OH222829 -3.759 -1.829 -1.262 + 5507TIP3 H122830 -3.823 -1.819 -1.189 + 5507TIP3 H222831 -3.755 -1.738 -1.299 + 5508TIP3 OH222832 -3.768 -1.823 -1.774 + 5508TIP3 H122833 -3.864 -1.825 -1.792 + 5508TIP3 H222834 -3.733 -1.839 -1.864 + 5509TIP3 OH222835 -3.169 -1.771 -1.915 + 5509TIP3 H122836 -3.223 -1.694 -1.941 + 5509TIP3 H222837 -3.119 -1.787 -1.997 + 5510TIP3 OH222838 -3.288 -1.741 -0.757 + 5510TIP3 H122839 -3.336 -1.820 -0.725 + 5510TIP3 H222840 -3.198 -1.758 -0.721 + 5511TIP3 OH222841 -3.065 -1.801 -1.633 + 5511TIP3 H122842 -3.125 -1.747 -1.688 + 5511TIP3 H222843 -3.081 -1.889 -1.672 + 5512TIP3 OH222844 -4.022 -1.813 -1.079 + 5512TIP3 H122845 -3.998 -1.777 -0.993 + 5512TIP3 H222846 -4.053 -1.902 -1.054 + 5513TIP3 OH222847 -3.685 -2.054 -2.419 + 5513TIP3 H122848 -3.723 -2.091 -2.336 + 5513TIP3 H222849 -3.764 -2.039 -2.473 + 5514TIP3 OH222850 -4.324 -2.057 -1.708 + 5514TIP3 H122851 -4.305 -2.083 -1.616 + 5514TIP3 H222852 -4.277 -2.124 -1.758 + 5515TIP3 OH222853 -4.213 -1.999 -2.126 + 5515TIP3 H122854 -4.150 -1.976 -2.198 + 5515TIP3 H222855 -4.296 -1.977 -2.168 + 5516TIP3 OH222856 -3.207 -1.658 -1.169 + 5516TIP3 H122857 -3.166 -1.729 -1.222 + 5516TIP3 H222858 -3.246 -1.709 -1.096 + 5517TIP3 OH222859 -3.488 -2.057 -1.668 + 5517TIP3 H122860 -3.583 -2.066 -1.650 + 5517TIP3 H222861 -3.449 -2.089 -1.584 + 5518TIP3 OH222862 -4.040 -1.941 -1.803 + 5518TIP3 H122863 -4.120 -1.928 -1.855 + 5518TIP3 H222864 -4.002 -2.021 -1.845 + 5519TIP3 OH222865 -3.673 -1.909 -2.036 + 5519TIP3 H122866 -3.576 -1.899 -2.029 + 5519TIP3 H222867 -3.697 -1.845 -2.106 + 5520TIP3 OH222868 -3.054 -2.144 -1.369 + 5520TIP3 H122869 -3.118 -2.147 -1.295 + 5520TIP3 H222870 -3.108 -2.184 -1.440 + 5521TIP3 OH222871 -3.823 -1.783 -2.259 + 5521TIP3 H122872 -3.883 -1.812 -2.329 + 5521TIP3 H222873 -3.743 -1.762 -2.309 + 5522TIP3 OH222874 -2.726 -0.567 -0.731 + 5522TIP3 H122875 -2.716 -0.509 -0.808 + 5522TIP3 H222876 -2.656 -0.533 -0.674 + 5523TIP3 OH222877 -3.947 -1.318 -0.752 + 5523TIP3 H122878 -3.894 -1.278 -0.682 + 5523TIP3 H222879 -4.037 -1.306 -0.716 + 5524TIP3 OH222880 -3.368 -1.811 -1.492 + 5524TIP3 H122881 -3.321 -1.877 -1.543 + 5524TIP3 H222882 -3.398 -1.865 -1.415 + 5525TIP3 OH222883 -3.872 -2.173 -1.864 + 5525TIP3 H122884 -3.914 -2.260 -1.861 + 5525TIP3 H222885 -3.791 -2.192 -1.914 + 5526TIP3 OH222886 -3.487 -1.954 -1.274 + 5526TIP3 H122887 -3.569 -1.903 -1.264 + 5526TIP3 H222888 -3.440 -1.938 -1.190 + 5527TIP3 OH222889 -3.472 -1.330 -2.073 + 5527TIP3 H122890 -3.550 -1.377 -2.111 + 5527TIP3 H222891 -3.496 -1.324 -1.978 + 5528TIP3 OH222892 -2.760 -1.395 -1.189 + 5528TIP3 H122893 -2.705 -1.335 -1.244 + 5528TIP3 H222894 -2.835 -1.412 -1.249 + 5529TIP3 OH222895 -3.304 -1.326 -0.947 + 5529TIP3 H122896 -3.336 -1.359 -0.862 + 5529TIP3 H222897 -3.331 -1.232 -0.945 + 5530TIP3 OH222898 -3.969 -1.388 -1.498 + 5530TIP3 H122899 -3.911 -1.399 -1.576 + 5530TIP3 H222900 -3.962 -1.475 -1.455 + 5531TIP3 OH222901 -3.237 -1.187 -2.180 + 5531TIP3 H122902 -3.266 -1.100 -2.143 + 5531TIP3 H222903 -3.312 -1.243 -2.154 + 5532TIP3 OH222904 -4.238 -1.540 -0.937 + 5532TIP3 H122905 -4.232 -1.606 -0.867 + 5532TIP3 H222906 -4.286 -1.589 -1.007 + 5533TIP3 OH222907 -3.540 -1.602 -0.767 + 5533TIP3 H122908 -3.576 -1.632 -0.853 + 5533TIP3 H222909 -3.450 -1.638 -0.774 + 5534TIP3 OH222910 -2.523 -1.861 -2.111 + 5534TIP3 H122911 -2.603 -1.900 -2.151 + 5534TIP3 H222912 -2.533 -1.769 -2.139 + 5535TIP3 OH222913 -2.524 -1.249 -0.860 + 5535TIP3 H122914 -2.596 -1.207 -0.908 + 5535TIP3 H222915 -2.449 -1.223 -0.916 + 5536TIP3 OH222916 -2.724 -1.002 -2.116 + 5536TIP3 H122917 -2.737 -1.074 -2.052 + 5536TIP3 H222918 -2.656 -1.036 -2.175 + 5537TIP3 OH222919 -2.972 -1.491 -1.377 + 5537TIP3 H122920 -3.066 -1.501 -1.403 + 5537TIP3 H222921 -2.935 -1.574 -1.409 + 5538TIP3 OH222922 -3.728 -1.053 -1.761 + 5538TIP3 H122923 -3.687 -0.967 -1.780 + 5538TIP3 H222924 -3.818 -1.038 -1.793 + 5539TIP3 OH222925 -4.159 -1.561 -2.292 + 5539TIP3 H122926 -4.082 -1.510 -2.258 + 5539TIP3 H222927 -4.228 -1.495 -2.279 + 5540TIP3 OH222928 -3.543 -1.288 -1.802 + 5540TIP3 H122929 -3.572 -1.196 -1.790 + 5540TIP3 H222930 -3.618 -1.336 -1.764 + 5541TIP3 OH222931 -3.524 -0.864 -1.165 + 5541TIP3 H122932 -3.472 -0.789 -1.198 + 5541TIP3 H222933 -3.460 -0.907 -1.108 + 5542TIP3 OH222934 -3.681 -0.767 -1.843 + 5542TIP3 H122935 -3.778 -0.755 -1.835 + 5542TIP3 H222936 -3.649 -0.677 -1.824 + 5543TIP3 OH222937 -3.163 -1.287 -1.201 + 5543TIP3 H122938 -3.213 -1.322 -1.125 + 5543TIP3 H222939 -3.104 -1.360 -1.224 + 5544TIP3 OH222940 -2.963 -1.163 -2.319 + 5544TIP3 H122941 -2.928 -1.205 -2.239 + 5544TIP3 H222942 -3.058 -1.173 -2.301 + 5545TIP3 OH222943 -2.909 -0.849 -0.961 + 5545TIP3 H122944 -2.978 -0.864 -1.029 + 5545TIP3 H222945 -2.872 -0.766 -0.994 + 5546TIP3 OH222946 -2.495 -0.729 -2.269 + 5546TIP3 H122947 -2.426 -0.662 -2.289 + 5546TIP3 H222948 -2.571 -0.668 -2.261 + 5547TIP3 OH222949 -4.102 -2.082 -0.998 + 5547TIP3 H122950 -4.186 -2.049 -1.035 + 5547TIP3 H222951 -4.123 -2.170 -0.963 + 5548TIP3 OH222952 -2.870 -1.302 -2.080 + 5548TIP3 H122953 -2.894 -1.372 -2.017 + 5548TIP3 H222954 -2.774 -1.299 -2.070 + 5549TIP3 OH222955 -4.130 -0.913 -1.159 + 5549TIP3 H122956 -4.109 -1.007 -1.152 + 5549TIP3 H222957 -4.093 -0.880 -1.077 + 5550TIP3 OH222958 -3.519 -1.054 -2.439 + 5550TIP3 H122959 -3.526 -1.118 -2.513 + 5550TIP3 H222960 -3.586 -1.089 -2.378 + 5551TIP3 OH222961 -3.660 -1.100 -2.186 + 5551TIP3 H122962 -3.611 -1.151 -2.121 + 5551TIP3 H222963 -3.645 -1.008 -2.158 + 5552TIP3 OH222964 -3.984 -1.360 -2.153 + 5552TIP3 H122965 -4.055 -1.317 -2.099 + 5552TIP3 H222966 -3.940 -1.281 -2.188 + 5553TIP3 OH222967 -3.213 -2.107 -1.149 + 5553TIP3 H122968 -3.148 -2.080 -1.083 + 5553TIP3 H222969 -3.258 -2.183 -1.106 + 5554TIP3 OH222970 -3.164 -2.150 -2.046 + 5554TIP3 H122971 -3.124 -2.097 -2.119 + 5554TIP3 H222972 -3.102 -2.121 -1.978 + 5555TIP3 OH222973 -3.364 -0.935 -2.129 + 5555TIP3 H122974 -3.449 -0.890 -2.115 + 5555TIP3 H222975 -3.329 -0.887 -2.205 + 5556TIP3 OH222976 -3.407 -1.957 -1.929 + 5556TIP3 H122977 -3.320 -1.913 -1.919 + 5556TIP3 H222978 -3.432 -1.975 -1.836 + 5557TIP3 OH222979 -3.368 -1.873 -1.014 + 5557TIP3 H122980 -3.362 -1.823 -0.931 + 5557TIP3 H222981 -3.314 -1.951 -0.992 + 5558TIP3 OH222982 -3.343 -2.261 -1.839 + 5558TIP3 H122983 -3.361 -2.194 -1.772 + 5558TIP3 H222984 -3.273 -2.218 -1.891 + 5559TIP3 OH222985 -3.639 -0.829 -2.132 + 5559TIP3 H122986 -3.655 -0.749 -2.186 + 5559TIP3 H222987 -3.665 -0.797 -2.043 + 5560TIP3 OH222988 -3.774 -2.162 -2.176 + 5560TIP3 H122989 -3.766 -2.081 -2.124 + 5560TIP3 H222990 -3.691 -2.208 -2.151 + 5561TIP3 OH222991 -2.741 -2.070 -0.926 + 5561TIP3 H122992 -2.837 -2.063 -0.942 + 5561TIP3 H222993 -2.714 -2.094 -1.016 + 5562TIP3 OH222994 -3.934 -1.077 -2.274 + 5562TIP3 H122995 -3.859 -1.033 -2.234 + 5562TIP3 H222996 -3.889 -1.124 -2.347 + 5563TIP3 OH222997 -4.119 -1.862 -2.352 + 5563TIP3 H122998 -4.104 -1.767 -2.342 + 5563TIP3 H222999 -4.191 -1.866 -2.416 + 5564TIP3 OH223000 -2.751 -0.802 -1.362 + 5564TIP3 H123001 -2.782 -0.728 -1.418 + 5564TIP3 H223002 -2.662 -0.773 -1.339 + 5565TIP3 OH223003 -4.025 -2.363 -1.489 + 5565TIP3 H123004 -4.058 -2.363 -1.581 + 5565TIP3 H223005 -4.070 -2.441 -1.451 + 5566TIP3 OH223006 -4.141 -0.983 -1.886 + 5566TIP3 H123007 -4.227 -0.939 -1.871 + 5566TIP3 H223008 -4.100 -0.927 -1.952 + 5567TIP3 OH223009 -4.213 -0.720 -0.737 + 5567TIP3 H123010 -4.151 -0.721 -0.663 + 5567TIP3 H223011 -4.219 -0.815 -0.753 + 5568TIP3 OH223012 -3.736 -0.810 -0.566 + 5568TIP3 H123013 -3.661 -0.866 -0.541 + 5568TIP3 H223014 -3.749 -0.835 -0.659 + 5569TIP3 OH223015 -3.310 -0.882 -2.418 + 5569TIP3 H123016 -3.393 -0.936 -2.418 + 5569TIP3 H223017 -3.249 -0.951 -2.446 + 5570TIP3 OH223018 -2.866 -0.894 -2.410 + 5570TIP3 H123019 -2.852 -0.971 -2.352 + 5570TIP3 H223020 -2.779 -0.884 -2.451 + 5571TIP3 OH223021 -4.197 -1.315 -0.678 + 5571TIP3 H123022 -4.191 -1.405 -0.712 + 5571TIP3 H223023 -4.285 -1.287 -0.709 + 5572TIP3 OH223024 -3.784 -1.308 -2.414 + 5572TIP3 H123025 -3.753 -1.375 -2.351 + 5572TIP3 H223026 -3.710 -1.299 -2.475 + 5573TIP3 OH223027 -3.545 -1.331 -0.691 + 5573TIP3 H123028 -3.562 -1.291 -0.778 + 5573TIP3 H223029 -3.528 -1.425 -0.713 + 5574TIP3 OH223030 -3.237 -1.173 -2.474 + 5574TIP3 H123031 -3.265 -1.172 -2.381 + 5574TIP3 H223032 -3.257 -1.267 -2.494 + 5575TIP3 OH223033 -2.972 -1.304 -0.932 + 5575TIP3 H123034 -2.911 -1.296 -1.007 + 5575TIP3 H223035 -3.056 -1.273 -0.968 + 5576TIP3 OH223036 -4.132 -1.640 -0.698 + 5576TIP3 H123037 -4.055 -1.699 -0.709 + 5576TIP3 H223038 -4.128 -1.620 -0.604 + 5577TIP3 OH223039 -3.669 -1.503 -2.191 + 5577TIP3 H123040 -3.735 -1.550 -2.138 + 5577TIP3 H223041 -3.643 -1.571 -2.256 + 5578TIP3 OH223042 -3.750 -1.721 -0.966 + 5578TIP3 H123043 -3.806 -1.642 -0.955 + 5578TIP3 H223044 -3.686 -1.689 -1.033 + 5579TIP3 OH223045 -3.576 -1.699 -2.371 + 5579TIP3 H123046 -3.579 -1.687 -2.468 + 5579TIP3 H223047 -3.480 -1.696 -2.355 + 5580TIP3 OH223048 -3.219 -1.450 -0.612 + 5580TIP3 H123049 -3.130 -1.467 -0.646 + 5580TIP3 H223050 -3.243 -1.538 -0.580 + 5581TIP3 OH223051 -2.636 -1.446 -2.435 + 5581TIP3 H123052 -2.637 -1.492 -2.521 + 5581TIP3 H223053 -2.631 -1.353 -2.462 + 5582TIP3 OH223054 -3.693 -1.994 -0.855 + 5582TIP3 H123055 -3.683 -2.060 -0.927 + 5582TIP3 H223056 -3.710 -1.913 -0.906 + 5583TIP3 OH223057 -3.657 -2.144 -1.111 + 5583TIP3 H123058 -3.605 -2.095 -1.178 + 5583TIP3 H223059 -3.747 -2.143 -1.148 + 5584TIP3 OH223060 -3.501 -1.601 -1.069 + 5584TIP3 H123061 -3.418 -1.610 -1.119 + 5584TIP3 H223062 -3.533 -1.515 -1.102 + 5585TIP3 OH223063 -3.042 -1.807 -0.592 + 5585TIP3 H123064 -3.022 -1.901 -0.580 + 5585TIP3 H223065 -2.951 -1.771 -0.593 + 5586TIP3 OH223066 -2.955 -1.524 -0.758 + 5586TIP3 H123067 -2.968 -1.446 -0.816 + 5586TIP3 H223068 -2.861 -1.545 -0.777 + 5587TIP3 OH223069 -3.876 -1.804 -0.677 + 5587TIP3 H123070 -3.929 -1.886 -0.678 + 5587TIP3 H223071 -3.797 -1.832 -0.725 + 5588TIP3 OH223072 -3.587 -2.413 -1.075 + 5588TIP3 H123073 -3.602 -2.318 -1.092 + 5588TIP3 H223074 -3.656 -2.455 -1.130 + 5589TIP3 OH223075 -3.460 -1.952 -0.695 + 5589TIP3 H123076 -3.490 -1.982 -0.608 + 5589TIP3 H223077 -3.539 -1.974 -0.749 + 5590TIP3 OH223078 -3.204 -2.050 -0.809 + 5590TIP3 H123079 -3.292 -2.051 -0.767 + 5590TIP3 H223080 -3.155 -2.114 -0.753 + 5591TIP3 OH223081 -3.029 -2.202 -0.641 + 5591TIP3 H123082 -3.034 -2.298 -0.624 + 5591TIP3 H223083 -3.037 -2.163 -0.552 + 5592TIP3 OH223084 -4.012 -2.059 -0.694 + 5592TIP3 H123085 -4.015 -2.131 -0.759 + 5592TIP3 H223086 -4.032 -2.106 -0.611 + 5593TIP3 OH223087 -3.600 -2.465 -0.794 + 5593TIP3 H123088 -3.541 -2.542 -0.789 + 5593TIP3 H223089 -3.602 -2.450 -0.891 + 5594TIP3 OH223090 -3.506 -2.277 -0.610 + 5594TIP3 H123091 -3.533 -2.338 -0.682 + 5594TIP3 H223092 -3.579 -2.214 -0.608 + 5595TIP3 OH223093 -3.599 -0.568 -2.257 + 5595TIP3 H123094 -3.503 -0.563 -2.250 + 5595TIP3 H223095 -3.612 -0.538 -2.348 + 5596TIP3 OH223096 -4.208 -1.087 -2.351 + 5596TIP3 H123097 -4.121 -1.082 -2.308 + 5596TIP3 H223098 -4.204 -1.173 -2.396 + 5597TIP3 OH223099 -4.274 -0.810 -1.641 + 5597TIP3 H123100 -4.279 -0.898 -1.599 + 5597TIP3 H223101 -4.243 -0.756 -1.567 + 5598TIP3 OH223102 -2.723 -1.156 -0.601 + 5598TIP3 H123103 -2.774 -1.185 -0.523 + 5598TIP3 H223104 -2.644 -1.115 -0.562 + 5599TIP3 OH223105 -2.583 -1.318 -2.039 + 5599TIP3 H123106 -2.495 -1.282 -2.018 + 5599TIP3 H223107 -2.598 -1.378 -1.963 + 5600TIP3 OH223108 -2.569 -1.540 -1.821 + 5600TIP3 H123109 -2.588 -1.618 -1.768 + 5600TIP3 H223110 -2.488 -1.508 -1.777 + 5601TIP3 OH223111 -2.567 -1.263 -1.349 + 5601TIP3 H123112 -2.499 -1.314 -1.395 + 5601TIP3 H223113 -2.547 -1.172 -1.377 + 5602TIP3 OH223114 -2.711 -1.028 -1.081 + 5602TIP3 H123115 -2.741 -0.937 -1.071 + 5602TIP3 H223116 -2.726 -1.044 -1.175 + 5603TIP3 OH223117 -2.507 -1.561 -2.185 + 5603TIP3 H123118 -2.567 -1.552 -2.261 + 5603TIP3 H223119 -2.530 -1.481 -2.134 + 5604TIP3 OH223120 -2.670 -1.797 -2.377 + 5604TIP3 H123121 -2.650 -1.755 -2.461 + 5604TIP3 H223122 -2.707 -1.883 -2.403 + 5605TIP3 OH223123 -4.256 -1.448 -1.368 + 5605TIP3 H123124 -4.226 -1.429 -1.459 + 5605TIP3 H223125 -4.175 -1.491 -1.331 + 5606TIP3 OH223126 -2.675 -1.487 -0.840 + 5606TIP3 H123127 -2.612 -1.562 -0.837 + 5606TIP3 H223128 -2.614 -1.412 -0.856 + 5607TIP3 OH223129 -2.531 -1.704 -0.739 + 5607TIP3 H123130 -2.607 -1.763 -0.757 + 5607TIP3 H223131 -2.456 -1.766 -0.733 + 5608TIP3 OH223132 -2.731 -2.099 -2.476 + 5608TIP3 H123133 -2.685 -2.119 -2.393 + 5608TIP3 H223134 -2.824 -2.118 -2.454 + 5609TIP3 OH223135 -2.740 -1.852 -1.443 + 5609TIP3 H123136 -2.644 -1.857 -1.421 + 5609TIP3 H223137 -2.776 -1.864 -1.354 + 5610TIP3 OH223138 -2.717 -1.824 -1.122 + 5610TIP3 H123139 -2.803 -1.784 -1.098 + 5610TIP3 H223140 -2.664 -1.746 -1.148 + 5611TIP3 OH223141 -4.284 -1.954 -0.752 + 5611TIP3 H123142 -4.196 -1.994 -0.762 + 5611TIP3 H223143 -4.343 -2.029 -0.742 + 5612TIP3 OH223144 -2.460 -2.406 -0.590 + 5612TIP3 H123145 -2.421 -2.471 -0.651 + 5612TIP3 H223146 -2.461 -2.326 -0.646 + 5613TIP3 OH223147 -2.697 -2.207 -1.928 + 5613TIP3 H123148 -2.709 -2.253 -1.843 + 5613TIP3 H223149 -2.781 -2.223 -1.974 + 5614TIP3 OH223150 -4.195 -2.102 -1.439 + 5614TIP3 H123151 -4.159 -2.191 -1.446 + 5614TIP3 H223152 -4.115 -2.047 -1.426 + 5615TIP3 OH223153 -4.332 -1.837 -1.358 + 5615TIP3 H123154 -4.295 -1.889 -1.431 + 5615TIP3 H223155 -4.317 -1.747 -1.389 + 5616TIP3 OH223156 -2.523 -2.197 -0.765 + 5616TIP3 H123157 -2.611 -2.155 -0.760 + 5616TIP3 H223158 -2.534 -2.250 -0.847 + 5617TIP3 OH223159 -2.517 -2.177 -2.289 + 5617TIP3 H123160 -2.485 -2.261 -2.327 + 5617TIP3 H223161 -2.434 -2.129 -2.273 + 5618TIP3 OH223162 -4.314 -2.227 -2.009 + 5618TIP3 H123163 -4.399 -2.198 -2.046 + 5618TIP3 H223164 -4.256 -2.154 -2.040 + 5619TIP3 OH223165 -2.828 -0.692 -1.751 + 5619TIP3 H123166 -2.784 -0.711 -1.835 + 5619TIP3 H223167 -2.765 -0.632 -1.709 + 5620TIP3 OH223168 -4.291 -2.330 -1.171 + 5620TIP3 H123169 -4.360 -2.339 -1.101 + 5620TIP3 H223170 -4.335 -2.282 -1.243 + 5621TIP3 OH223171 -4.116 -0.984 -0.692 + 5621TIP3 H123172 -4.168 -1.039 -0.752 + 5621TIP3 H223173 -4.145 -1.015 -0.604 + 5622TIP3 OH223174 -3.802 -0.908 -1.109 + 5622TIP3 H123175 -3.833 -0.826 -1.151 + 5622TIP3 H223176 -3.706 -0.902 -1.129 + 5623TIP3 OH223177 -3.351 -0.784 -0.816 + 5623TIP3 H123178 -3.336 -0.799 -0.720 + 5623TIP3 H223179 -3.272 -0.731 -0.840 + 5624TIP3 OH223180 -3.127 -0.637 -0.886 + 5624TIP3 H123181 -3.054 -0.694 -0.915 + 5624TIP3 H223182 -3.091 -0.600 -0.803 + 5625TIP3 OH223183 -2.642 -2.377 -0.967 + 5625TIP3 H123184 -2.721 -2.361 -1.021 + 5625TIP3 H223185 -2.616 -2.466 -1.000 + 5626TIP3 OH223186 -4.069 -0.607 -1.087 + 5626TIP3 H123187 -4.137 -0.558 -1.138 + 5626TIP3 H223188 -4.102 -0.596 -0.997 + 5627TIP3 OH223189 -3.817 -0.639 -1.223 + 5627TIP3 H123190 -3.904 -0.620 -1.183 + 5627TIP3 H223191 -3.815 -0.575 -1.296 + 5628TIP3 OH223192 -3.338 -0.642 -1.269 + 5628TIP3 H123193 -3.378 -0.599 -1.347 + 5628TIP3 H223194 -3.332 -0.566 -1.207 + 5629TIP3 OH223195 -3.099 -0.765 -1.176 + 5629TIP3 H123196 -3.183 -0.729 -1.210 + 5629TIP3 H223197 -3.042 -0.686 -1.177 + 5630TIP3 OH223198 -2.857 -0.598 -1.142 + 5630TIP3 H123199 -2.838 -0.502 -1.146 + 5630TIP3 H223200 -2.814 -0.629 -1.223 + 5631TIP3 OH223201 -4.126 -0.731 -1.389 + 5631TIP3 H123202 -4.133 -0.778 -1.303 + 5631TIP3 H223203 -4.051 -0.779 -1.430 + 5632TIP3 OH223204 -3.913 -0.859 -1.527 + 5632TIP3 H123205 -3.925 -0.954 -1.506 + 5632TIP3 H223206 -3.819 -0.844 -1.505 + 5633TIP3 OH223207 -3.627 -0.814 -1.454 + 5633TIP3 H123208 -3.611 -0.907 -1.478 + 5633TIP3 H223209 -3.626 -0.820 -1.357 + 5634TIP3 OH223210 -3.299 -2.226 -1.527 + 5634TIP3 H123211 -3.366 -2.295 -1.510 + 5634TIP3 H223212 -3.236 -2.273 -1.583 + 5635TIP3 OH223213 -2.804 -2.414 -1.473 + 5635TIP3 H123214 -2.723 -2.383 -1.517 + 5635TIP3 H223215 -2.873 -2.397 -1.538 + 5636TIP3 OH223216 -2.591 -2.315 -1.679 + 5636TIP3 H123217 -2.525 -2.358 -1.737 + 5636TIP3 H223218 -2.560 -2.223 -1.680 + 5637TIP3 OH223219 -4.108 -2.369 -1.768 + 5637TIP3 H123220 -4.180 -2.397 -1.826 + 5637TIP3 H223221 -4.045 -2.443 -1.781 + 5638TIP3 OH223222 -4.182 -2.409 -2.189 + 5638TIP3 H123223 -4.130 -2.342 -2.238 + 5638TIP3 H223224 -4.233 -2.352 -2.128 + 5639TIP3 OH223225 -3.615 -2.373 -1.778 + 5639TIP3 H123226 -3.525 -2.343 -1.797 + 5639TIP3 H223227 -3.613 -2.383 -1.682 + 5640TIP3 OH223228 -3.058 -2.365 -1.643 + 5640TIP3 H123229 -3.027 -2.385 -1.732 + 5640TIP3 H223230 -3.091 -2.453 -1.615 + 5641TIP3 OH223231 -2.948 -2.362 -2.028 + 5641TIP3 H123232 -3.023 -2.313 -2.065 + 5641TIP3 H223233 -2.982 -2.453 -2.026 + 5642TIP3 OH223234 -4.006 -2.220 -2.334 + 5642TIP3 H123235 -3.947 -2.278 -2.386 + 5642TIP3 H223236 -3.944 -2.190 -2.265 + 5643TIP3 OH223237 -3.507 -2.207 -2.074 + 5643TIP3 H123238 -3.463 -2.263 -2.008 + 5643TIP3 H223239 -3.477 -2.119 -2.046 + 5644TIP3 OH223240 -3.294 -0.628 -2.253 + 5644TIP3 H123241 -3.197 -0.627 -2.255 + 5644TIP3 H223242 -3.312 -0.694 -2.322 + 5645TIP3 OH223243 -2.642 -0.720 -1.990 + 5645TIP3 H123244 -2.665 -0.803 -2.037 + 5645TIP3 H223245 -2.646 -0.655 -2.063 + 5646TIP3 OH223246 -4.079 -2.330 -0.817 + 5646TIP3 H123247 -4.124 -2.406 -0.777 + 5646TIP3 H223248 -3.987 -2.345 -0.788 + 5647TIP3 OH223249 -3.843 -2.392 -0.641 + 5647TIP3 H123250 -3.761 -2.428 -0.682 + 5647TIP3 H223251 -3.877 -2.471 -0.596 + 5648TIP3 OH223252 -4.011 -0.708 -2.402 + 5648TIP3 H123253 -4.045 -0.692 -2.311 + 5648TIP3 H223254 -3.946 -0.777 -2.384 + 5649TIP3 OH223255 -3.030 -2.482 -0.623 + 5649TIP3 H123256 -3.026 -2.525 -0.536 + 5649TIP3 H223257 -2.937 -2.487 -0.651 + 5650TIP3 OH223258 -2.680 -0.861 -0.756 + 5650TIP3 H123259 -2.715 -0.858 -0.845 + 5650TIP3 H223260 -2.657 -0.768 -0.742 + 5651TIP3 OH223261 -1.257 -1.477 -1.755 + 5651TIP3 H123262 -1.275 -1.388 -1.722 + 5651TIP3 H223263 -1.346 -1.503 -1.784 + 5652TIP3 OH223264 -2.138 -1.588 -1.269 + 5652TIP3 H123265 -2.140 -1.659 -1.203 + 5652TIP3 H223266 -2.070 -1.530 -1.232 + 5653TIP3 OH223267 -2.049 -1.118 -1.411 + 5653TIP3 H123268 -2.083 -1.207 -1.431 + 5653TIP3 H223269 -1.962 -1.140 -1.375 + 5654TIP3 OH223270 -2.389 -1.780 -1.873 + 5654TIP3 H123271 -2.412 -1.688 -1.885 + 5654TIP3 H223272 -2.445 -1.825 -1.939 + 5655TIP3 OH223273 -2.311 -1.530 -1.707 + 5655TIP3 H123274 -2.293 -1.607 -1.650 + 5655TIP3 H223275 -2.223 -1.508 -1.738 + 5656TIP3 OH223276 -1.190 -1.849 -1.327 + 5656TIP3 H123277 -1.196 -1.946 -1.326 + 5656TIP3 H223278 -1.210 -1.826 -1.419 + 5657TIP3 OH223279 -1.911 -2.052 -1.619 + 5657TIP3 H123280 -1.900 -1.966 -1.664 + 5657TIP3 H223281 -1.948 -2.104 -1.692 + 5658TIP3 OH223282 -1.101 -2.066 -1.795 + 5658TIP3 H123283 -1.065 -2.059 -1.705 + 5658TIP3 H223284 -1.079 -1.980 -1.832 + 5659TIP3 OH223285 -2.246 -1.779 -1.566 + 5659TIP3 H123286 -2.181 -1.824 -1.509 + 5659TIP3 H223287 -2.234 -1.828 -1.650 + 5660TIP3 OH223288 -1.712 -1.641 -1.610 + 5660TIP3 H123289 -1.636 -1.690 -1.571 + 5660TIP3 H223290 -1.758 -1.712 -1.659 + 5661TIP3 OH223291 -2.047 -2.164 -1.181 + 5661TIP3 H123292 -2.082 -2.114 -1.256 + 5661TIP3 H223293 -2.115 -2.150 -1.115 + 5662TIP3 OH223294 -1.275 -1.187 -1.863 + 5662TIP3 H123295 -1.318 -1.221 -1.942 + 5662TIP3 H223296 -1.331 -1.110 -1.842 + 5663TIP3 OH223297 -0.929 -2.129 -1.567 + 5663TIP3 H123298 -0.986 -2.153 -1.492 + 5663TIP3 H223299 -0.882 -2.054 -1.527 + 5664TIP3 OH223300 -2.073 -1.968 -1.407 + 5664TIP3 H123301 -2.009 -1.910 -1.360 + 5664TIP3 H223302 -2.014 -2.006 -1.476 + 5665TIP3 OH223303 -2.313 -1.221 -2.025 + 5665TIP3 H123304 -2.329 -1.173 -2.108 + 5665TIP3 H223305 -2.290 -1.149 -1.962 + 5666TIP3 OH223306 -1.622 -2.419 -1.495 + 5666TIP3 H123307 -1.643 -2.514 -1.496 + 5666TIP3 H223308 -1.703 -2.382 -1.454 + 5667TIP3 OH223309 -1.161 -0.881 -1.710 + 5667TIP3 H123310 -1.094 -0.951 -1.713 + 5667TIP3 H223311 -1.106 -0.805 -1.685 + 5668TIP3 OH223312 -0.978 -1.111 -1.824 + 5668TIP3 H123313 -1.042 -1.140 -1.892 + 5668TIP3 H223314 -1.014 -1.150 -1.745 + 5669TIP3 OH223315 -1.412 -1.535 -2.016 + 5669TIP3 H123316 -1.477 -1.470 -2.048 + 5669TIP3 H223317 -1.341 -1.525 -2.082 + 5670TIP3 OH223318 -1.380 -1.711 -2.309 + 5670TIP3 H123319 -1.311 -1.679 -2.249 + 5670TIP3 H223320 -1.328 -1.767 -2.369 + 5671TIP3 OH223321 -1.044 -1.549 -1.909 + 5671TIP3 H123322 -1.119 -1.514 -1.854 + 5671TIP3 H223323 -1.014 -1.621 -1.853 + 5672TIP3 OH223324 -1.900 -1.454 -1.731 + 5672TIP3 H123325 -1.928 -1.500 -1.812 + 5672TIP3 H223326 -1.835 -1.516 -1.693 + 5673TIP3 OH223327 -1.834 -1.535 -1.370 + 5673TIP3 H123328 -1.778 -1.554 -1.446 + 5673TIP3 H223329 -1.770 -1.505 -1.304 + 5674TIP3 OH223330 -1.159 -1.590 -2.160 + 5674TIP3 H123331 -1.110 -1.563 -2.080 + 5674TIP3 H223332 -1.112 -1.537 -2.229 + 5675TIP3 OH223333 -2.057 -1.498 -0.989 + 5675TIP3 H123334 -2.053 -1.444 -0.907 + 5675TIP3 H223335 -2.153 -1.507 -0.997 + 5676TIP3 OH223336 -1.433 -0.926 -1.792 + 5676TIP3 H123337 -1.356 -0.897 -1.740 + 5676TIP3 H223338 -1.469 -0.842 -1.826 + 5677TIP3 OH223339 -0.831 -2.405 -2.186 + 5677TIP3 H123340 -0.925 -2.388 -2.170 + 5677TIP3 H223341 -0.794 -2.318 -2.207 + 5678TIP3 OH223342 -2.005 -1.579 -1.978 + 5678TIP3 H123343 -2.027 -1.502 -2.033 + 5678TIP3 H223344 -2.071 -1.643 -2.005 + 5679TIP3 OH223345 -0.677 -0.997 -2.350 + 5679TIP3 H123346 -0.663 -0.903 -2.329 + 5679TIP3 H223347 -0.588 -1.034 -2.335 + 5680TIP3 OH223348 -2.375 -1.295 -1.112 + 5680TIP3 H123349 -2.436 -1.306 -1.186 + 5680TIP3 H223350 -2.366 -1.384 -1.075 + 5681TIP3 OH223351 -2.393 -1.016 -1.405 + 5681TIP3 H123352 -2.301 -1.047 -1.396 + 5681TIP3 H223353 -2.398 -0.952 -1.333 + 5682TIP3 OH223354 -1.460 -0.622 -1.947 + 5682TIP3 H123355 -1.463 -0.635 -2.043 + 5682TIP3 H223356 -1.439 -0.529 -1.940 + 5683TIP3 OH223357 -2.075 -0.731 -1.796 + 5683TIP3 H123358 -2.074 -0.758 -1.703 + 5683TIP3 H223359 -2.168 -0.741 -1.820 + 5684TIP3 OH223360 -1.138 -0.711 -2.243 + 5684TIP3 H123361 -1.076 -0.775 -2.282 + 5684TIP3 H223362 -1.141 -0.742 -2.149 + 5685TIP3 OH223363 -1.196 -0.769 -1.966 + 5685TIP3 H123364 -1.285 -0.742 -1.940 + 5685TIP3 H223365 -1.171 -0.826 -1.890 + 5686TIP3 OH223366 -1.865 -2.299 -1.396 + 5686TIP3 H123367 -1.948 -2.309 -1.446 + 5686TIP3 H223368 -1.890 -2.228 -1.335 + 5687TIP3 OH223369 -1.416 -2.366 -1.042 + 5687TIP3 H123370 -1.366 -2.408 -0.969 + 5687TIP3 H223371 -1.509 -2.383 -1.015 + 5688TIP3 OH223372 -1.007 -1.480 -2.359 + 5688TIP3 H123373 -1.029 -1.494 -2.453 + 5688TIP3 H223374 -0.914 -1.452 -2.366 + 5689TIP3 OH223375 -1.443 -2.101 -2.308 + 5689TIP3 H123376 -1.497 -2.115 -2.229 + 5689TIP3 H223377 -1.483 -2.166 -2.368 + 5690TIP3 OH223378 -1.879 -1.826 -1.262 + 5690TIP3 H123379 -1.929 -1.822 -1.178 + 5690TIP3 H223380 -1.872 -1.731 -1.286 + 5691TIP3 OH223381 -1.881 -1.822 -1.774 + 5691TIP3 H123382 -1.977 -1.831 -1.789 + 5691TIP3 H223383 -1.847 -1.842 -1.864 + 5692TIP3 OH223384 -1.322 -1.768 -1.896 + 5692TIP3 H123385 -1.366 -1.686 -1.927 + 5692TIP3 H223386 -1.253 -1.779 -1.963 + 5693TIP3 OH223387 -1.220 -1.806 -1.612 + 5693TIP3 H123388 -1.249 -1.742 -1.679 + 5693TIP3 H223389 -1.217 -1.887 -1.663 + 5694TIP3 OH223390 -2.143 -1.831 -1.076 + 5694TIP3 H123391 -2.115 -1.797 -0.990 + 5694TIP3 H223392 -2.204 -1.902 -1.051 + 5695TIP3 OH223393 -1.800 -2.053 -2.422 + 5695TIP3 H123394 -1.836 -2.088 -2.338 + 5695TIP3 H223395 -1.881 -2.042 -2.475 + 5696TIP3 OH223396 -2.459 -2.061 -1.710 + 5696TIP3 H123397 -2.395 -2.070 -1.637 + 5696TIP3 H223398 -2.414 -2.101 -1.785 + 5697TIP3 OH223399 -2.299 -2.022 -2.142 + 5697TIP3 H123400 -2.246 -1.972 -2.208 + 5697TIP3 H223401 -2.373 -1.960 -2.126 + 5698TIP3 OH223402 -1.346 -1.669 -1.140 + 5698TIP3 H123403 -1.274 -1.695 -1.200 + 5698TIP3 H223404 -1.351 -1.745 -1.080 + 5699TIP3 OH223405 -1.602 -2.065 -1.668 + 5699TIP3 H123406 -1.698 -2.064 -1.649 + 5699TIP3 H223407 -1.566 -2.078 -1.579 + 5700TIP3 OH223408 -2.146 -1.937 -1.806 + 5700TIP3 H123409 -2.232 -1.917 -1.847 + 5700TIP3 H223410 -2.119 -2.019 -1.852 + 5701TIP3 OH223411 -1.782 -1.908 -2.037 + 5701TIP3 H123412 -1.686 -1.892 -2.034 + 5701TIP3 H223413 -1.813 -1.848 -2.108 + 5702TIP3 OH223414 -1.161 -2.167 -1.366 + 5702TIP3 H123415 -1.206 -2.150 -1.280 + 5702TIP3 H223416 -1.239 -2.189 -1.421 + 5703TIP3 OH223417 -1.939 -1.782 -2.257 + 5703TIP3 H123418 -2.000 -1.812 -2.327 + 5703TIP3 H223419 -1.859 -1.763 -2.308 + 5704TIP3 OH223420 -2.066 -1.347 -0.750 + 5704TIP3 H123421 -2.003 -1.329 -0.677 + 5704TIP3 H223422 -2.147 -1.313 -0.710 + 5705TIP3 OH223423 -1.506 -1.804 -1.491 + 5705TIP3 H123424 -1.429 -1.846 -1.531 + 5705TIP3 H223425 -1.509 -1.847 -1.403 + 5706TIP3 OH223426 -1.974 -2.167 -1.874 + 5706TIP3 H123427 -2.033 -2.244 -1.857 + 5706TIP3 H223428 -1.894 -2.210 -1.907 + 5707TIP3 OH223429 -1.592 -1.952 -1.256 + 5707TIP3 H123430 -1.673 -1.898 -1.251 + 5707TIP3 H223431 -1.545 -1.931 -1.175 + 5708TIP3 OH223432 -1.590 -1.326 -2.076 + 5708TIP3 H123433 -1.667 -1.375 -2.111 + 5708TIP3 H223434 -1.613 -1.316 -1.980 + 5709TIP3 OH223435 -1.176 -2.036 -2.297 + 5709TIP3 H123436 -1.274 -2.041 -2.299 + 5709TIP3 H223437 -1.158 -1.967 -2.231 + 5710TIP3 OH223438 -1.096 -1.859 -2.082 + 5710TIP3 H123439 -1.004 -1.867 -2.051 + 5710TIP3 H223440 -1.096 -1.772 -2.127 + 5711TIP3 OH223441 -2.088 -1.394 -1.499 + 5711TIP3 H123442 -2.022 -1.397 -1.570 + 5711TIP3 H223443 -2.066 -1.473 -1.448 + 5712TIP3 OH223444 -1.353 -1.187 -2.184 + 5712TIP3 H123445 -1.375 -1.102 -2.142 + 5712TIP3 H223446 -1.428 -1.242 -2.154 + 5713TIP3 OH223447 -2.353 -1.560 -0.965 + 5713TIP3 H123448 -2.334 -1.601 -0.878 + 5713TIP3 H223449 -2.415 -1.623 -1.005 + 5714TIP3 OH223450 -0.650 -1.858 -2.102 + 5714TIP3 H123451 -0.698 -1.867 -2.186 + 5714TIP3 H223452 -0.626 -1.764 -2.107 + 5715TIP3 OH223453 -0.824 -0.979 -2.089 + 5715TIP3 H123454 -0.851 -1.059 -2.040 + 5715TIP3 H223455 -0.778 -1.015 -2.166 + 5716TIP3 OH223456 -1.836 -1.055 -1.762 + 5716TIP3 H123457 -1.795 -0.968 -1.767 + 5716TIP3 H223458 -1.929 -1.034 -1.776 + 5717TIP3 OH223459 -2.245 -1.569 -2.313 + 5717TIP3 H123460 -2.187 -1.505 -2.269 + 5717TIP3 H223461 -2.331 -1.550 -2.270 + 5718TIP3 OH223462 -1.659 -1.285 -1.812 + 5718TIP3 H123463 -1.686 -1.195 -1.786 + 5718TIP3 H223464 -1.724 -1.336 -1.761 + 5719TIP3 OH223465 -1.806 -0.749 -1.849 + 5719TIP3 H123466 -1.903 -0.739 -1.835 + 5719TIP3 H223467 -1.771 -0.673 -1.801 + 5720TIP3 OH223468 -1.080 -1.158 -2.318 + 5720TIP3 H123469 -1.040 -1.203 -2.241 + 5720TIP3 H223470 -1.174 -1.170 -2.295 + 5721TIP3 OH223471 -0.604 -0.728 -2.266 + 5721TIP3 H123472 -0.549 -0.660 -2.307 + 5721TIP3 H223473 -0.684 -0.676 -2.250 + 5722TIP3 OH223474 -0.978 -1.291 -2.078 + 5722TIP3 H123475 -1.010 -1.365 -2.024 + 5722TIP3 H223476 -0.882 -1.295 -2.061 + 5723TIP3 OH223477 -1.659 -1.051 -2.464 + 5723TIP3 H123478 -1.630 -1.131 -2.511 + 5723TIP3 H223479 -1.701 -1.090 -2.385 + 5724TIP3 OH223480 -1.773 -1.098 -2.193 + 5724TIP3 H123481 -1.726 -1.151 -2.127 + 5724TIP3 H223482 -1.760 -1.007 -2.158 + 5725TIP3 OH223483 -2.095 -1.354 -2.154 + 5725TIP3 H123484 -2.164 -1.315 -2.097 + 5725TIP3 H223485 -2.045 -1.275 -2.179 + 5726TIP3 OH223486 -1.304 -2.086 -1.126 + 5726TIP3 H123487 -1.260 -2.068 -1.042 + 5726TIP3 H223488 -1.372 -2.151 -1.098 + 5727TIP3 OH223489 -1.240 -2.183 -2.019 + 5727TIP3 H123490 -1.241 -2.133 -2.102 + 5727TIP3 H223491 -1.204 -2.119 -1.955 + 5728TIP3 OH223492 -1.480 -0.931 -2.124 + 5728TIP3 H123493 -1.565 -0.886 -2.112 + 5728TIP3 H223494 -1.444 -0.886 -2.201 + 5729TIP3 OH223495 -1.508 -1.975 -1.926 + 5729TIP3 H123496 -1.442 -1.903 -1.914 + 5729TIP3 H223497 -1.547 -1.982 -1.837 + 5730TIP3 OH223498 -1.447 -2.264 -1.823 + 5730TIP3 H123499 -1.481 -2.189 -1.771 + 5730TIP3 H223500 -1.387 -2.220 -1.886 + 5731TIP3 OH223501 -1.757 -0.827 -2.125 + 5731TIP3 H123502 -1.768 -0.746 -2.178 + 5731TIP3 H223503 -1.779 -0.795 -2.035 + 5732TIP3 OH223504 -1.887 -2.161 -2.185 + 5732TIP3 H123505 -1.888 -2.089 -2.120 + 5732TIP3 H223506 -1.808 -2.212 -2.157 + 5733TIP3 OH223507 -2.049 -1.074 -2.277 + 5733TIP3 H123508 -1.977 -1.024 -2.235 + 5733TIP3 H223509 -1.997 -1.125 -2.342 + 5734TIP3 OH223510 -2.232 -1.855 -2.366 + 5734TIP3 H123511 -2.223 -1.760 -2.343 + 5734TIP3 H223512 -2.322 -1.859 -2.401 + 5735TIP3 OH223513 -2.139 -2.352 -1.485 + 5735TIP3 H123514 -2.160 -2.357 -1.580 + 5735TIP3 H223515 -2.172 -2.438 -1.451 + 5736TIP3 OH223516 -2.247 -1.001 -1.862 + 5736TIP3 H123517 -2.317 -0.946 -1.826 + 5736TIP3 H223518 -2.203 -0.940 -1.923 + 5737TIP3 OH223519 -1.438 -0.881 -2.412 + 5737TIP3 H123520 -1.513 -0.942 -2.422 + 5737TIP3 H223521 -1.366 -0.935 -2.449 + 5738TIP3 OH223522 -0.974 -0.893 -2.404 + 5738TIP3 H123523 -0.959 -0.975 -2.354 + 5738TIP3 H223524 -0.893 -0.886 -2.458 + 5739TIP3 OH223525 -2.345 -1.317 -0.613 + 5739TIP3 H123526 -2.322 -1.406 -0.643 + 5739TIP3 H223527 -2.397 -1.281 -0.685 + 5740TIP3 OH223528 -1.895 -1.308 -2.430 + 5740TIP3 H123529 -1.879 -1.367 -2.354 + 5740TIP3 H223530 -1.808 -1.311 -2.474 + 5741TIP3 OH223531 -1.370 -1.174 -2.468 + 5741TIP3 H123532 -1.375 -1.178 -2.371 + 5741TIP3 H223533 -1.376 -1.270 -2.489 + 5742TIP3 OH223534 -2.233 -1.651 -0.710 + 5742TIP3 H123535 -2.187 -1.735 -0.697 + 5742TIP3 H223536 -2.231 -1.617 -0.618 + 5743TIP3 OH223537 -1.787 -1.498 -2.197 + 5743TIP3 H123538 -1.847 -1.549 -2.139 + 5743TIP3 H223539 -1.757 -1.568 -2.259 + 5744TIP3 OH223540 -1.865 -1.707 -0.970 + 5744TIP3 H123541 -1.916 -1.626 -0.956 + 5744TIP3 H223542 -1.789 -1.675 -1.021 + 5745TIP3 OH223543 -1.690 -1.698 -2.369 + 5745TIP3 H123544 -1.695 -1.691 -2.466 + 5745TIP3 H223545 -1.594 -1.701 -2.355 + 5746TIP3 OH223546 -0.739 -1.445 -2.439 + 5746TIP3 H123547 -0.749 -1.488 -2.525 + 5746TIP3 H223548 -0.751 -1.350 -2.464 + 5747TIP3 OH223549 -1.772 -2.146 -1.086 + 5747TIP3 H123550 -1.727 -2.085 -1.146 + 5747TIP3 H223551 -1.866 -2.136 -1.110 + 5748TIP3 OH223552 -1.617 -1.573 -1.134 + 5748TIP3 H123553 -1.524 -1.601 -1.141 + 5748TIP3 H223554 -1.606 -1.485 -1.098 + 5749TIP3 OH223555 -1.695 -2.407 -1.040 + 5749TIP3 H123556 -1.722 -2.313 -1.048 + 5749TIP3 H223557 -1.764 -2.452 -1.092 + 5750TIP3 OH223558 -1.712 -0.564 -2.256 + 5750TIP3 H123559 -1.616 -0.562 -2.249 + 5750TIP3 H223560 -1.726 -0.526 -2.344 + 5751TIP3 OH223561 -2.325 -1.137 -2.308 + 5751TIP3 H123562 -2.230 -1.118 -2.293 + 5751TIP3 H223563 -2.322 -1.213 -2.368 + 5752TIP3 OH223564 -2.424 -0.606 -1.839 + 5752TIP3 H123565 -2.490 -0.654 -1.892 + 5752TIP3 H223566 -2.398 -0.672 -1.772 + 5753TIP3 OH223567 -2.387 -0.808 -1.625 + 5753TIP3 H123568 -2.409 -0.896 -1.592 + 5753TIP3 H223569 -2.348 -0.770 -1.544 + 5754TIP3 OH223570 -0.698 -1.332 -2.023 + 5754TIP3 H123571 -0.611 -1.291 -2.010 + 5754TIP3 H223572 -0.697 -1.401 -1.954 + 5755TIP3 OH223573 -0.656 -1.532 -1.836 + 5755TIP3 H123574 -0.709 -1.602 -1.799 + 5755TIP3 H223575 -0.582 -1.523 -1.775 + 5756TIP3 OH223576 -0.619 -1.563 -2.194 + 5756TIP3 H123577 -0.672 -1.535 -2.271 + 5756TIP3 H223578 -0.638 -1.491 -2.132 + 5757TIP3 OH223579 -0.797 -1.814 -2.356 + 5757TIP3 H123580 -0.774 -1.753 -2.428 + 5757TIP3 H223581 -0.822 -1.895 -2.405 + 5758TIP3 OH223582 -2.377 -1.482 -1.394 + 5758TIP3 H123583 -2.346 -1.471 -1.486 + 5758TIP3 H223584 -2.292 -1.501 -1.350 + 5759TIP3 OH223585 -0.856 -2.077 -2.440 + 5759TIP3 H123586 -0.796 -2.129 -2.385 + 5759TIP3 H223587 -0.935 -2.132 -2.450 + 5760TIP3 OH223588 -0.862 -1.937 -1.923 + 5760TIP3 H123589 -0.847 -2.029 -1.943 + 5760TIP3 H223590 -0.779 -1.896 -1.954 + 5761TIP3 OH223591 -2.348 -1.951 -0.756 + 5761TIP3 H123592 -2.264 -1.988 -0.730 + 5761TIP3 H223593 -2.406 -2.029 -0.753 + 5762TIP3 OH223594 -2.312 -2.109 -1.469 + 5762TIP3 H123595 -2.269 -2.196 -1.461 + 5762TIP3 H223596 -2.241 -2.051 -1.435 + 5763TIP3 OH223597 -2.462 -1.831 -1.378 + 5763TIP3 H123598 -2.393 -1.847 -1.444 + 5763TIP3 H223599 -2.421 -1.760 -1.326 + 5764TIP3 OH223600 -0.642 -2.188 -2.280 + 5764TIP3 H123601 -0.601 -2.263 -2.325 + 5764TIP3 H223602 -0.564 -2.133 -2.258 + 5765TIP3 OH223603 -2.412 -2.211 -1.968 + 5765TIP3 H123604 -2.509 -2.195 -1.975 + 5765TIP3 H223605 -2.375 -2.146 -2.030 + 5766TIP3 OH223606 -0.935 -0.687 -1.756 + 5766TIP3 H123607 -0.875 -0.716 -1.827 + 5766TIP3 H223608 -0.877 -0.638 -1.698 + 5767TIP3 OH223609 -2.401 -2.312 -1.150 + 5767TIP3 H123610 -2.469 -2.351 -1.093 + 5767TIP3 H223611 -2.454 -2.276 -1.222 + 5768TIP3 OH223612 -2.251 -0.735 -1.372 + 5768TIP3 H123613 -2.210 -0.748 -1.286 + 5768TIP3 H223614 -2.172 -0.728 -1.428 + 5769TIP3 OH223615 -2.027 -0.859 -1.537 + 5769TIP3 H123616 -2.039 -0.951 -1.507 + 5769TIP3 H223617 -1.935 -0.843 -1.506 + 5770TIP3 OH223618 -1.768 -0.834 -1.445 + 5770TIP3 H123619 -1.699 -0.892 -1.477 + 5770TIP3 H223620 -1.729 -0.802 -1.362 + 5771TIP3 OH223621 -1.402 -2.231 -1.516 + 5771TIP3 H123622 -1.479 -2.289 -1.501 + 5771TIP3 H223623 -1.362 -2.273 -1.593 + 5772TIP3 OH223624 -0.874 -2.428 -1.527 + 5772TIP3 H123625 -0.809 -2.357 -1.538 + 5772TIP3 H223626 -0.960 -2.383 -1.531 + 5773TIP3 OH223627 -2.176 -2.355 -1.771 + 5773TIP3 H123628 -2.263 -2.370 -1.813 + 5773TIP3 H223629 -2.135 -2.443 -1.781 + 5774TIP3 OH223630 -2.297 -2.406 -2.180 + 5774TIP3 H123631 -2.246 -2.338 -2.229 + 5774TIP3 H223632 -2.339 -2.353 -2.110 + 5775TIP3 OH223633 -1.727 -2.368 -1.782 + 5775TIP3 H123634 -1.632 -2.348 -1.788 + 5775TIP3 H223635 -1.737 -2.379 -1.687 + 5776TIP3 OH223636 -1.141 -2.379 -1.659 + 5776TIP3 H123637 -1.192 -2.397 -1.739 + 5776TIP3 H223638 -1.184 -2.443 -1.598 + 5777TIP3 OH223639 -2.275 -0.807 -2.067 + 5777TIP3 H123640 -2.342 -0.813 -2.137 + 5777TIP3 H223641 -2.276 -0.712 -2.050 + 5778TIP3 OH223642 -2.123 -2.222 -2.337 + 5778TIP3 H123643 -2.063 -2.281 -2.386 + 5778TIP3 H223644 -2.065 -2.190 -2.266 + 5779TIP3 OH223645 -1.606 -2.205 -2.078 + 5779TIP3 H123646 -1.587 -2.267 -2.006 + 5779TIP3 H223647 -1.595 -2.120 -2.033 + 5780TIP3 OH223648 -1.411 -0.626 -2.251 + 5780TIP3 H123649 -1.313 -0.626 -2.251 + 5780TIP3 H223650 -1.428 -0.696 -2.316 + 5781TIP3 OH223651 -0.720 -0.723 -1.960 + 5781TIP3 H123652 -0.749 -0.798 -2.013 + 5781TIP3 H223653 -0.725 -0.649 -2.021 + 5782TIP3 OH223654 -2.181 -2.319 -0.756 + 5782TIP3 H123655 -2.220 -2.408 -0.765 + 5782TIP3 H223656 -2.098 -2.329 -0.803 + 5783TIP3 OH223657 -2.134 -0.717 -2.383 + 5783TIP3 H123658 -2.158 -0.689 -2.294 + 5783TIP3 H223659 -2.055 -0.772 -2.367 + 5784TIP3 OH223660 1.221 -2.122 -1.295 + 5784TIP3 H123661 1.229 -2.044 -1.240 + 5784TIP3 H223662 1.278 -2.096 -1.370 + 5785TIP3 OH223663 0.682 -1.848 -1.329 + 5785TIP3 H123664 0.684 -1.944 -1.321 + 5785TIP3 H223665 0.646 -1.837 -1.419 + 5786TIP3 OH223666 -0.037 -2.051 -1.613 + 5786TIP3 H123667 -0.013 -1.966 -1.656 + 5786TIP3 H223668 -0.066 -2.102 -1.691 + 5787TIP3 OH223669 0.757 -2.037 -1.793 + 5787TIP3 H123670 0.809 -2.075 -1.719 + 5787TIP3 H223671 0.824 -1.980 -1.833 + 5788TIP3 OH223672 -0.152 -2.154 -1.216 + 5788TIP3 H123673 -0.179 -2.082 -1.277 + 5788TIP3 H223674 -0.215 -2.139 -1.143 + 5789TIP3 OH223675 0.945 -2.107 -1.577 + 5789TIP3 H123676 0.899 -2.164 -1.515 + 5789TIP3 H223677 0.990 -2.044 -1.517 + 5790TIP3 OH223678 -0.188 -1.952 -1.400 + 5790TIP3 H123679 -0.148 -1.872 -1.360 + 5790TIP3 H223680 -0.128 -1.971 -1.475 + 5791TIP3 OH223681 -0.432 -1.235 -2.026 + 5791TIP3 H123682 -0.447 -1.186 -2.108 + 5791TIP3 H223683 -0.412 -1.164 -1.961 + 5792TIP3 OH223684 0.953 -2.197 -1.201 + 5792TIP3 H123685 0.875 -2.156 -1.242 + 5792TIP3 H223686 1.025 -2.174 -1.262 + 5793TIP3 OH223687 0.265 -2.423 -1.498 + 5793TIP3 H123688 0.243 -2.518 -1.499 + 5793TIP3 H223689 0.186 -2.384 -1.456 + 5794TIP3 OH223690 0.895 -1.138 -1.850 + 5794TIP3 H123691 0.807 -1.119 -1.885 + 5794TIP3 H223692 0.885 -1.107 -1.758 + 5795TIP3 OH223693 0.447 -1.469 -2.013 + 5795TIP3 H123694 0.379 -1.470 -2.080 + 5795TIP3 H223695 0.527 -1.491 -2.060 + 5796TIP3 OH223696 0.506 -1.700 -2.306 + 5796TIP3 H123697 0.578 -1.684 -2.244 + 5796TIP3 H223698 0.545 -1.767 -2.365 + 5797TIP3 OH223699 0.729 -1.544 -2.126 + 5797TIP3 H123700 0.791 -1.598 -2.076 + 5797TIP3 H223701 0.780 -1.523 -2.208 + 5798TIP3 OH223702 1.065 -2.410 -2.212 + 5798TIP3 H123703 0.979 -2.399 -2.169 + 5798TIP3 H223704 1.102 -2.320 -2.207 + 5799TIP3 OH223705 1.202 -0.988 -2.348 + 5799TIP3 H123706 1.220 -0.893 -2.333 + 5799TIP3 H223707 1.291 -1.027 -2.335 + 5800TIP3 OH223708 -0.210 -0.746 -1.786 + 5800TIP3 H123709 -0.189 -0.763 -1.694 + 5800TIP3 H223710 -0.301 -0.773 -1.793 + 5801TIP3 OH223711 0.778 -0.705 -2.218 + 5801TIP3 H123712 0.804 -0.772 -2.283 + 5801TIP3 H223713 0.738 -0.759 -2.150 + 5802TIP3 OH223714 0.027 -2.307 -1.398 + 5802TIP3 H123715 -0.053 -2.316 -1.454 + 5802TIP3 H223716 -0.001 -2.232 -1.343 + 5803TIP3 OH223717 0.463 -2.356 -1.044 + 5803TIP3 H123718 0.513 -2.402 -0.974 + 5803TIP3 H223719 0.371 -2.382 -1.026 + 5804TIP3 OH223720 0.778 -1.971 -0.994 + 5804TIP3 H123721 0.725 -1.990 -0.914 + 5804TIP3 H223722 0.762 -1.877 -1.007 + 5805TIP3 OH223723 0.881 -1.488 -2.351 + 5805TIP3 H123724 0.851 -1.501 -2.443 + 5805TIP3 H223725 0.974 -1.464 -2.367 + 5806TIP3 OH223726 0.442 -2.098 -2.310 + 5806TIP3 H123727 0.392 -2.113 -2.228 + 5806TIP3 H223728 0.402 -2.166 -2.368 + 5807TIP3 OH223729 0.018 -1.833 -1.758 + 5807TIP3 H123730 -0.064 -1.783 -1.766 + 5807TIP3 H223731 0.054 -1.827 -1.847 + 5808TIP3 OH223732 0.566 -1.746 -1.894 + 5808TIP3 H123733 0.511 -1.676 -1.931 + 5808TIP3 H223734 0.626 -1.769 -1.966 + 5809TIP3 OH223735 0.450 -1.753 -0.755 + 5809TIP3 H123736 0.401 -1.825 -0.713 + 5809TIP3 H223737 0.534 -1.751 -0.707 + 5810TIP3 OH223738 0.636 -1.816 -1.612 + 5810TIP3 H123739 0.601 -1.766 -1.688 + 5810TIP3 H223740 0.645 -1.904 -1.651 + 5811TIP3 OH223741 -0.220 -1.826 -1.117 + 5811TIP3 H123742 -0.213 -1.754 -1.052 + 5811TIP3 H223743 -0.286 -1.884 -1.078 + 5812TIP3 OH223744 0.086 -2.057 -2.422 + 5812TIP3 H123745 0.051 -2.086 -2.336 + 5812TIP3 H223746 0.005 -2.039 -2.472 + 5813TIP3 OH223747 -0.425 -2.033 -2.159 + 5813TIP3 H123748 -0.355 -1.984 -2.206 + 5813TIP3 H223749 -0.473 -1.960 -2.116 + 5814TIP3 OH223750 0.579 -1.651 -1.131 + 5814TIP3 H123751 0.610 -1.706 -1.204 + 5814TIP3 H223752 0.506 -1.704 -1.094 + 5815TIP3 OH223753 0.279 -2.066 -1.672 + 5815TIP3 H123754 0.185 -2.059 -1.647 + 5815TIP3 H223755 0.321 -2.071 -1.584 + 5816TIP3 OH223756 -0.276 -1.906 -1.864 + 5816TIP3 H123757 -0.364 -1.924 -1.830 + 5816TIP3 H223758 -0.229 -1.991 -1.853 + 5817TIP3 OH223759 0.103 -1.918 -2.047 + 5817TIP3 H123760 0.195 -1.895 -2.027 + 5817TIP3 H223761 0.071 -1.846 -2.103 + 5818TIP3 OH223762 0.718 -2.152 -1.371 + 5818TIP3 H123763 0.657 -2.148 -1.294 + 5818TIP3 H223764 0.655 -2.182 -1.439 + 5819TIP3 OH223765 -0.056 -1.780 -2.255 + 5819TIP3 H123766 -0.104 -1.808 -2.335 + 5819TIP3 H223767 0.025 -1.741 -2.293 + 5820TIP3 OH223768 -0.100 -2.159 -1.862 + 5820TIP3 H123769 -0.153 -2.240 -1.853 + 5820TIP3 H223770 -0.020 -2.190 -1.906 + 5821TIP3 OH223771 0.241 -1.941 -1.270 + 5821TIP3 H123772 0.178 -1.870 -1.259 + 5821TIP3 H223773 0.315 -1.912 -1.214 + 5822TIP3 OH223774 0.709 -2.042 -2.293 + 5822TIP3 H123775 0.611 -2.047 -2.300 + 5822TIP3 H223776 0.724 -1.967 -2.233 + 5823TIP3 OH223777 0.780 -1.842 -2.090 + 5823TIP3 H123778 0.862 -1.877 -2.048 + 5823TIP3 H223779 0.815 -1.789 -2.162 + 5824TIP3 OH223780 1.233 -1.857 -2.116 + 5824TIP3 H123781 1.183 -1.880 -2.197 + 5824TIP3 H223782 1.248 -1.762 -2.133 + 5825TIP3 OH223783 1.054 -0.981 -2.092 + 5825TIP3 H123784 1.048 -1.061 -2.039 + 5825TIP3 H223785 1.106 -1.008 -2.169 + 5826TIP3 OH223786 0.770 -1.456 -1.377 + 5826TIP3 H123787 0.695 -1.502 -1.340 + 5826TIP3 H223788 0.840 -1.521 -1.377 + 5827TIP3 OH223789 -0.345 -1.551 -2.294 + 5827TIP3 H123790 -0.294 -1.485 -2.244 + 5827TIP3 H223791 -0.435 -1.536 -2.259 + 5828TIP3 OH223792 0.826 -1.165 -2.286 + 5828TIP3 H123793 0.827 -1.216 -2.205 + 5828TIP3 H223794 0.731 -1.168 -2.310 + 5829TIP3 OH223795 1.257 -0.716 -2.266 + 5829TIP3 H123796 1.329 -0.656 -2.293 + 5829TIP3 H223797 1.187 -0.651 -2.255 + 5830TIP3 OH223798 -0.343 -2.086 -1.018 + 5830TIP3 H123799 -0.433 -2.056 -1.032 + 5830TIP3 H223800 -0.355 -2.170 -0.970 + 5831TIP3 OH223801 0.297 -1.051 -2.456 + 5831TIP3 H123802 0.286 -1.127 -2.517 + 5831TIP3 H223803 0.216 -1.056 -2.404 + 5832TIP3 OH223804 0.561 -2.106 -1.150 + 5832TIP3 H123805 0.619 -2.074 -1.080 + 5832TIP3 H223806 0.512 -2.178 -1.106 + 5833TIP3 OH223807 0.626 -2.164 -2.022 + 5833TIP3 H123808 0.646 -2.113 -2.101 + 5833TIP3 H223809 0.672 -2.115 -1.951 + 5834TIP3 OH223810 0.369 -1.959 -1.927 + 5834TIP3 H123811 0.447 -1.905 -1.904 + 5834TIP3 H223812 0.334 -1.982 -1.839 + 5835TIP3 OH223813 0.404 -1.844 -1.015 + 5835TIP3 H123814 0.403 -1.805 -0.925 + 5835TIP3 H223815 0.446 -1.929 -0.996 + 5836TIP3 OH223816 0.423 -2.263 -1.836 + 5836TIP3 H123817 0.403 -2.197 -1.766 + 5836TIP3 H223818 0.497 -2.221 -1.883 + 5837TIP3 OH223819 -0.004 -2.161 -2.179 + 5837TIP3 H123820 0.001 -2.081 -2.122 + 5837TIP3 H223821 0.078 -2.207 -2.152 + 5838TIP3 OH223822 1.045 -2.073 -0.942 + 5838TIP3 H123823 0.950 -2.054 -0.937 + 5838TIP3 H223824 1.053 -2.099 -1.034 + 5839TIP3 OH223825 0.888 -1.704 -1.550 + 5839TIP3 H123826 0.796 -1.736 -1.549 + 5839TIP3 H223827 0.928 -1.759 -1.480 + 5840TIP3 OH223828 -0.344 -1.847 -2.370 + 5840TIP3 H123829 -0.331 -1.758 -2.333 + 5840TIP3 H223830 -0.438 -1.848 -2.392 + 5841TIP3 OH223831 1.014 -0.785 -1.425 + 5841TIP3 H123832 0.923 -0.769 -1.392 + 5841TIP3 H223833 1.064 -0.785 -1.342 + 5842TIP3 OH223834 -0.236 -2.371 -1.497 + 5842TIP3 H123835 -0.278 -2.358 -1.584 + 5842TIP3 H223836 -0.287 -2.445 -1.459 + 5843TIP3 OH223837 -0.380 -1.007 -1.871 + 5843TIP3 H123838 -0.451 -0.948 -1.843 + 5843TIP3 H223839 -0.322 -0.944 -1.916 + 5844TIP3 OH223840 0.902 -0.895 -2.399 + 5844TIP3 H123841 0.920 -0.976 -2.349 + 5844TIP3 H223842 0.982 -0.887 -2.454 + 5845TIP3 OH223843 0.558 -1.199 -2.445 + 5845TIP3 H123844 0.488 -1.166 -2.388 + 5845TIP3 H223845 0.525 -1.288 -2.472 + 5846TIP3 OH223846 0.197 -1.678 -2.354 + 5846TIP3 H123847 0.189 -1.668 -2.450 + 5846TIP3 H223848 0.293 -1.675 -2.341 + 5847TIP3 OH223849 1.146 -1.451 -2.441 + 5847TIP3 H123850 1.127 -1.489 -2.530 + 5847TIP3 H223851 1.141 -1.356 -2.463 + 5848TIP3 OH223852 0.076 -1.965 -0.863 + 5848TIP3 H123853 0.079 -2.034 -0.931 + 5848TIP3 H223854 0.054 -1.886 -0.914 + 5849TIP3 OH223855 0.117 -2.145 -1.119 + 5849TIP3 H123856 0.165 -2.086 -1.181 + 5849TIP3 H223857 0.024 -2.135 -1.148 + 5850TIP3 OH223858 0.740 -1.827 -0.624 + 5850TIP3 H123859 0.760 -1.918 -0.598 + 5850TIP3 H223860 0.814 -1.776 -0.592 + 5851TIP3 OH223861 -0.094 -1.840 -0.632 + 5851TIP3 H123862 -0.174 -1.883 -0.669 + 5851TIP3 H223863 -0.038 -1.829 -0.709 + 5852TIP3 OH223864 0.186 -2.411 -1.078 + 5852TIP3 H123865 0.170 -2.316 -1.093 + 5852TIP3 H223866 0.114 -2.451 -1.129 + 5853TIP3 OH223867 0.307 -1.983 -0.704 + 5853TIP3 H123868 0.269 -1.983 -0.615 + 5853TIP3 H223869 0.225 -1.976 -0.757 + 5854TIP3 OH223870 0.573 -2.063 -0.809 + 5854TIP3 H123871 0.485 -2.050 -0.770 + 5854TIP3 H223872 0.622 -2.105 -0.735 + 5855TIP3 OH223873 0.765 -2.169 -0.614 + 5855TIP3 H123874 0.765 -2.265 -0.613 + 5855TIP3 H223875 0.755 -2.146 -0.519 + 5856TIP3 OH223876 -0.280 -2.040 -0.682 + 5856TIP3 H123877 -0.277 -2.103 -0.755 + 5856TIP3 H223878 -0.281 -2.099 -0.604 + 5857TIP3 OH223879 0.170 -2.464 -0.797 + 5857TIP3 H123880 0.225 -2.543 -0.790 + 5857TIP3 H223881 0.168 -2.449 -0.893 + 5858TIP3 OH223882 0.260 -2.290 -0.601 + 5858TIP3 H123883 0.230 -2.345 -0.677 + 5858TIP3 H223884 0.205 -2.212 -0.612 + 5859TIP3 OH223885 -0.420 -1.133 -2.319 + 5859TIP3 H123886 -0.326 -1.130 -2.296 + 5859TIP3 H223887 -0.426 -1.214 -2.373 + 5860TIP3 OH223888 1.271 -0.671 -1.333 + 5860TIP3 H123889 1.264 -0.668 -1.237 + 5860TIP3 H223890 1.364 -0.652 -1.345 + 5861TIP3 OH223891 1.217 -1.491 -1.847 + 5861TIP3 H123892 1.180 -1.569 -1.802 + 5861TIP3 H223893 1.302 -1.479 -1.798 + 5862TIP3 OH223894 1.212 -1.241 -1.316 + 5862TIP3 H123895 1.252 -1.317 -1.360 + 5862TIP3 H223896 1.216 -1.169 -1.380 + 5863TIP3 OH223897 1.201 -1.526 -2.151 + 5863TIP3 H123898 1.204 -1.516 -2.248 + 5863TIP3 H223899 1.270 -1.467 -2.120 + 5864TIP3 OH223900 1.081 -1.810 -2.363 + 5864TIP3 H123901 1.114 -1.759 -2.439 + 5864TIP3 H223902 1.060 -1.896 -2.404 + 5865TIP3 OH223903 0.994 -1.653 -1.801 + 5865TIP3 H123904 0.999 -1.749 -1.817 + 5865TIP3 H223905 0.961 -1.656 -1.707 + 5866TIP3 OH223906 1.030 -2.075 -2.436 + 5866TIP3 H123907 1.093 -2.129 -2.384 + 5866TIP3 H223908 0.956 -2.135 -2.452 + 5867TIP3 OH223909 1.014 -1.938 -1.947 + 5867TIP3 H123910 1.033 -2.033 -1.930 + 5867TIP3 H223911 1.098 -1.913 -1.989 + 5868TIP3 OH223912 1.031 -1.885 -1.381 + 5868TIP3 H123913 1.127 -1.865 -1.381 + 5868TIP3 H223914 1.008 -1.867 -1.289 + 5869TIP3 OH223915 1.291 -2.373 -0.624 + 5869TIP3 H123916 1.336 -2.449 -0.667 + 5869TIP3 H223917 1.316 -2.301 -0.683 + 5870TIP3 OH223918 1.057 -2.225 -1.948 + 5870TIP3 H123919 1.071 -2.260 -1.859 + 5870TIP3 H223920 0.979 -2.277 -1.976 + 5871TIP3 OH223921 -0.417 -2.145 -1.443 + 5871TIP3 H123922 -0.350 -2.214 -1.436 + 5871TIP3 H223923 -0.365 -2.066 -1.422 + 5872TIP3 OH223924 1.255 -2.179 -2.283 + 5872TIP3 H123925 1.283 -2.259 -2.331 + 5872TIP3 H223926 1.337 -2.129 -2.278 + 5873TIP3 OH223927 -0.558 -2.215 -1.980 + 5873TIP3 H123928 -0.630 -2.156 -2.003 + 5873TIP3 H223929 -0.481 -2.160 -1.998 + 5874TIP3 OH223930 -0.554 -2.300 -1.124 + 5874TIP3 H123931 -0.617 -2.364 -1.087 + 5874TIP3 H223932 -0.600 -2.264 -1.200 + 5875TIP3 OH223933 1.135 -2.380 -0.960 + 5875TIP3 H123934 1.059 -2.347 -1.010 + 5875TIP3 H223935 1.153 -2.467 -1.001 + 5876TIP3 OH223936 0.477 -2.229 -1.522 + 5876TIP3 H123937 0.404 -2.293 -1.510 + 5876TIP3 H223938 0.535 -2.276 -1.583 + 5877TIP3 OH223939 0.970 -2.427 -1.480 + 5877TIP3 H123940 1.045 -2.379 -1.520 + 5877TIP3 H223941 0.895 -2.393 -1.530 + 5878TIP3 OH223942 1.176 -2.314 -1.693 + 5878TIP3 H123943 1.250 -2.355 -1.742 + 5878TIP3 H223944 1.209 -2.223 -1.681 + 5879TIP3 OH223945 -0.301 -2.356 -1.784 + 5879TIP3 H123946 -0.394 -2.373 -1.810 + 5879TIP3 H223947 -0.260 -2.444 -1.788 + 5880TIP3 OH223948 -0.414 -2.401 -2.172 + 5880TIP3 H123949 -0.359 -2.339 -2.223 + 5880TIP3 H223950 -0.462 -2.341 -2.112 + 5881TIP3 OH223951 0.158 -2.379 -1.780 + 5881TIP3 H123952 0.246 -2.340 -1.793 + 5881TIP3 H223953 0.152 -2.380 -1.684 + 5882TIP3 OH223954 0.715 -2.368 -1.642 + 5882TIP3 H123955 0.744 -2.389 -1.732 + 5882TIP3 H223956 0.678 -2.453 -1.613 + 5883TIP3 OH223957 0.827 -2.369 -2.042 + 5883TIP3 H123958 0.744 -2.319 -2.053 + 5883TIP3 H223959 0.793 -2.459 -2.026 + 5884TIP3 OH223960 -0.373 -0.808 -2.075 + 5884TIP3 H123961 -0.453 -0.799 -2.129 + 5884TIP3 H223962 -0.359 -0.716 -2.045 + 5885TIP3 OH223963 -0.236 -2.229 -2.337 + 5885TIP3 H123964 -0.172 -2.281 -2.387 + 5885TIP3 H223965 -0.180 -2.193 -2.266 + 5886TIP3 OH223966 0.274 -2.207 -2.076 + 5886TIP3 H123967 0.307 -2.263 -2.004 + 5886TIP3 H223968 0.287 -2.119 -2.038 + 5887TIP3 OH223969 1.155 -0.722 -1.978 + 5887TIP3 H123970 1.130 -0.805 -2.022 + 5887TIP3 H223971 1.127 -0.655 -2.041 + 5888TIP3 OH223972 -0.319 -2.332 -0.818 + 5888TIP3 H123973 -0.349 -2.415 -0.775 + 5888TIP3 H223974 -0.226 -2.336 -0.789 + 5889TIP3 OH223975 -0.069 -2.397 -0.623 + 5889TIP3 H123976 0.004 -2.437 -0.674 + 5889TIP3 H223977 -0.128 -2.474 -0.614 + 5890TIP3 OH223978 0.740 -2.474 -0.609 + 5890TIP3 H123979 0.757 -2.517 -0.525 + 5890TIP3 H223980 0.829 -2.476 -0.650 + 5891TIP3 OH223981 2.499 -1.481 -1.746 + 5891TIP3 H123982 2.495 -1.387 -1.724 + 5891TIP3 H223983 2.418 -1.493 -1.797 + 5892TIP3 OH223984 2.383 -1.539 -1.437 + 5892TIP3 H123985 2.382 -1.588 -1.353 + 5892TIP3 H223986 2.353 -1.607 -1.500 + 5893TIP3 OH223987 1.642 -1.560 -1.241 + 5893TIP3 H123988 1.636 -1.639 -1.184 + 5893TIP3 H223989 1.727 -1.522 -1.217 + 5894TIP3 OH223990 2.750 -1.238 -1.588 + 5894TIP3 H123991 2.719 -1.311 -1.534 + 5894TIP3 H223992 2.787 -1.180 -1.520 + 5895TIP3 OH223993 1.721 -1.124 -1.444 + 5895TIP3 H123994 1.690 -1.216 -1.457 + 5895TIP3 H223995 1.816 -1.138 -1.426 + 5896TIP3 OH223996 1.392 -1.776 -1.882 + 5896TIP3 H123997 1.360 -1.687 -1.867 + 5896TIP3 H223998 1.317 -1.821 -1.923 + 5897TIP3 OH223999 1.456 -1.530 -1.711 + 5897TIP3 H124000 1.468 -1.599 -1.643 + 5897TIP3 H224001 1.548 -1.509 -1.732 + 5898TIP3 OH224002 2.454 -0.725 -1.540 + 5898TIP3 H124003 2.509 -0.798 -1.572 + 5898TIP3 H224004 2.433 -0.757 -1.451 + 5899TIP3 OH224005 2.232 -1.291 -1.377 + 5899TIP3 H124006 2.269 -1.363 -1.430 + 5899TIP3 H224007 2.311 -1.269 -1.324 + 5900TIP3 OH224008 3.097 -2.133 -1.316 + 5900TIP3 H124009 3.121 -2.076 -1.242 + 5900TIP3 H224010 3.159 -2.101 -1.385 + 5901TIP3 OH224011 2.562 -1.853 -1.326 + 5901TIP3 H124012 2.576 -1.949 -1.321 + 5901TIP3 H224013 2.552 -1.840 -1.422 + 5902TIP3 OH224014 1.858 -2.051 -1.619 + 5902TIP3 H124015 1.872 -1.965 -1.663 + 5902TIP3 H224016 1.822 -2.103 -1.693 + 5903TIP3 OH224017 2.642 -2.037 -1.791 + 5903TIP3 H124018 2.697 -2.078 -1.719 + 5903TIP3 H224019 2.711 -1.990 -1.840 + 5904TIP3 OH224020 1.525 -1.778 -1.567 + 5904TIP3 H124021 1.586 -1.826 -1.509 + 5904TIP3 H224022 1.535 -1.827 -1.650 + 5905TIP3 OH224023 2.065 -1.639 -1.624 + 5905TIP3 H124024 2.135 -1.693 -1.583 + 5905TIP3 H224025 2.013 -1.707 -1.672 + 5906TIP3 OH224026 3.175 -1.990 -1.063 + 5906TIP3 H124027 3.112 -1.923 -1.095 + 5906TIP3 H224028 3.140 -2.006 -0.975 + 5907TIP3 OH224029 1.734 -2.171 -1.198 + 5907TIP3 H124030 1.696 -2.120 -1.272 + 5907TIP3 H224031 1.666 -2.155 -1.130 + 5908TIP3 OH224032 2.497 -1.189 -1.871 + 5908TIP3 H124033 2.447 -1.221 -1.946 + 5908TIP3 H224034 2.447 -1.111 -1.843 + 5909TIP3 OH224035 2.013 -1.381 -1.203 + 5909TIP3 H124036 1.965 -1.312 -1.152 + 5909TIP3 H224037 2.087 -1.329 -1.239 + 5910TIP3 OH224038 2.823 -2.108 -1.585 + 5910TIP3 H124039 2.799 -2.182 -1.526 + 5910TIP3 H224040 2.875 -2.053 -1.524 + 5911TIP3 OH224041 1.698 -1.968 -1.408 + 5911TIP3 H124042 1.761 -1.910 -1.360 + 5911TIP3 H224043 1.757 -2.003 -1.478 + 5912TIP3 OH224044 1.885 -1.179 -1.074 + 5912TIP3 H124045 1.877 -1.090 -1.109 + 5912TIP3 H224046 1.808 -1.186 -1.016 + 5913TIP3 OH224047 1.417 -1.240 -2.035 + 5913TIP3 H124048 1.415 -1.186 -2.115 + 5913TIP3 H224049 1.439 -1.174 -1.966 + 5914TIP3 OH224050 2.841 -2.194 -1.194 + 5914TIP3 H124051 2.761 -2.162 -1.242 + 5914TIP3 H224052 2.909 -2.185 -1.263 + 5915TIP3 OH224053 2.151 -2.423 -1.496 + 5915TIP3 H124054 2.129 -2.518 -1.499 + 5915TIP3 H224055 2.069 -2.385 -1.457 + 5916TIP3 OH224056 2.631 -0.885 -1.712 + 5916TIP3 H124057 2.680 -0.968 -1.715 + 5916TIP3 H224058 2.702 -0.820 -1.698 + 5917TIP3 OH224059 2.793 -1.114 -1.846 + 5917TIP3 H124060 2.714 -1.151 -1.890 + 5917TIP3 H224061 2.788 -1.158 -1.759 + 5918TIP3 OH224062 2.941 -1.191 -0.983 + 5918TIP3 H124063 2.927 -1.264 -1.045 + 5918TIP3 H224064 2.934 -1.119 -1.048 + 5919TIP3 OH224065 2.360 -1.531 -2.017 + 5919TIP3 H124066 2.294 -1.468 -2.052 + 5919TIP3 H224067 2.432 -1.523 -2.081 + 5920TIP3 OH224068 2.390 -1.708 -2.312 + 5920TIP3 H124069 2.458 -1.679 -2.248 + 5920TIP3 H224070 2.441 -1.768 -2.368 + 5921TIP3 OH224071 3.120 -1.602 -1.191 + 5921TIP3 H124072 3.042 -1.541 -1.186 + 5921TIP3 H224073 3.164 -1.564 -1.270 + 5922TIP3 OH224074 2.713 -1.531 -1.909 + 5922TIP3 H124075 2.644 -1.508 -1.842 + 5922TIP3 H224076 2.774 -1.585 -1.854 + 5923TIP3 OH224077 2.694 -1.675 -1.025 + 5923TIP3 H124078 2.700 -1.593 -0.974 + 5923TIP3 H224079 2.631 -1.646 -1.093 + 5924TIP3 OH224080 1.872 -1.452 -1.731 + 5924TIP3 H124081 1.842 -1.497 -1.812 + 5924TIP3 H224082 1.937 -1.515 -1.695 + 5925TIP3 OH224083 2.016 -1.113 -1.461 + 5925TIP3 H124084 2.015 -1.155 -1.548 + 5925TIP3 H224085 2.096 -1.154 -1.421 + 5926TIP3 OH224086 1.924 -1.573 -1.385 + 5926TIP3 H124087 1.986 -1.571 -1.461 + 5926TIP3 H224088 1.962 -1.504 -1.326 + 5927TIP3 OH224089 2.519 -1.018 -1.334 + 5927TIP3 H124090 2.558 -0.950 -1.277 + 5927TIP3 H224091 2.537 -1.100 -1.286 + 5928TIP3 OH224092 2.611 -1.586 -2.163 + 5928TIP3 H124093 2.654 -1.556 -2.079 + 5928TIP3 H224094 2.657 -1.528 -2.229 + 5929TIP3 OH224095 2.351 -0.925 -1.807 + 5929TIP3 H124096 2.404 -0.901 -1.730 + 5929TIP3 H224097 2.304 -0.843 -1.828 + 5930TIP3 OH224098 2.951 -2.410 -2.213 + 5930TIP3 H124099 2.863 -2.402 -2.172 + 5930TIP3 H224100 2.985 -2.320 -2.203 + 5931TIP3 OH224101 1.766 -1.577 -1.978 + 5931TIP3 H124102 1.742 -1.501 -2.033 + 5931TIP3 H224103 1.701 -1.643 -2.004 + 5932TIP3 OH224104 3.098 -0.990 -2.376 + 5932TIP3 H124105 3.110 -0.902 -2.333 + 5932TIP3 H224106 3.176 -1.038 -2.342 + 5933TIP3 OH224107 1.357 -1.014 -1.452 + 5933TIP3 H124108 1.445 -1.044 -1.427 + 5933TIP3 H224109 1.334 -0.951 -1.381 + 5934TIP3 OH224110 3.211 -0.954 -0.826 + 5934TIP3 H124111 3.200 -1.046 -0.856 + 5934TIP3 H224112 3.118 -0.930 -0.803 + 5935TIP3 OH224113 2.304 -1.021 -0.959 + 5935TIP3 H124114 2.320 -0.956 -0.888 + 5935TIP3 H224115 2.221 -1.060 -0.932 + 5936TIP3 OH224116 2.312 -0.650 -1.958 + 5936TIP3 H124117 2.310 -0.638 -2.054 + 5936TIP3 H224118 2.308 -0.559 -1.924 + 5937TIP3 OH224119 1.686 -0.760 -1.803 + 5937TIP3 H124120 1.707 -0.787 -1.711 + 5937TIP3 H224121 1.592 -0.781 -1.807 + 5938TIP3 OH224122 2.642 -0.718 -2.244 + 5938TIP3 H124123 2.692 -0.789 -2.286 + 5938TIP3 H224124 2.635 -0.750 -2.152 + 5939TIP3 OH224125 2.578 -0.768 -1.965 + 5939TIP3 H124126 2.483 -0.753 -1.946 + 5939TIP3 H224127 2.599 -0.831 -1.893 + 5940TIP3 OH224128 2.896 -1.820 -0.791 + 5940TIP3 H124129 2.838 -1.781 -0.858 + 5940TIP3 H224130 2.898 -1.913 -0.821 + 5941TIP3 OH224131 1.908 -2.309 -1.402 + 5941TIP3 H124132 1.825 -2.313 -1.452 + 5941TIP3 H224133 1.889 -2.234 -1.344 + 5942TIP3 OH224134 2.346 -2.352 -1.041 + 5942TIP3 H124135 2.399 -2.402 -0.975 + 5942TIP3 H224136 2.256 -2.384 -1.026 + 5943TIP3 OH224137 2.664 -1.970 -0.984 + 5943TIP3 H124138 2.600 -1.987 -0.913 + 5943TIP3 H224139 2.654 -1.875 -1.003 + 5944TIP3 OH224140 2.754 -1.471 -2.371 + 5944TIP3 H124141 2.744 -1.501 -2.463 + 5944TIP3 H224142 2.850 -1.455 -2.366 + 5945TIP3 OH224143 2.330 -2.101 -2.310 + 5945TIP3 H124144 2.279 -2.112 -2.228 + 5945TIP3 H224145 2.286 -2.167 -2.367 + 5946TIP3 OH224146 1.891 -1.831 -1.256 + 5946TIP3 H124147 1.832 -1.818 -1.179 + 5946TIP3 H224148 1.902 -1.740 -1.289 + 5947TIP3 OH224149 1.889 -1.821 -1.775 + 5947TIP3 H124150 1.793 -1.832 -1.790 + 5947TIP3 H224151 1.923 -1.843 -1.863 + 5948TIP3 OH224152 2.448 -1.767 -1.897 + 5948TIP3 H124153 2.408 -1.683 -1.928 + 5948TIP3 H224154 2.518 -1.780 -1.963 + 5949TIP3 OH224155 2.370 -1.742 -0.757 + 5949TIP3 H124156 2.313 -1.813 -0.723 + 5949TIP3 H224157 2.456 -1.761 -0.714 + 5950TIP3 OH224158 2.534 -1.827 -1.618 + 5950TIP3 H124159 2.506 -1.769 -1.691 + 5950TIP3 H224160 2.555 -1.908 -1.668 + 5951TIP3 OH224161 1.639 -1.814 -1.077 + 5951TIP3 H124162 1.654 -1.781 -0.987 + 5951TIP3 H224163 1.594 -1.899 -1.059 + 5952TIP3 OH224164 1.979 -2.060 -2.423 + 5952TIP3 H124165 1.940 -2.091 -2.339 + 5952TIP3 H224166 1.902 -2.024 -2.468 + 5953TIP3 OH224167 1.315 -2.065 -1.717 + 5953TIP3 H124168 1.373 -2.066 -1.639 + 5953TIP3 H224169 1.368 -2.108 -1.786 + 5954TIP3 OH224170 1.475 -2.024 -2.142 + 5954TIP3 H124171 1.528 -1.976 -2.208 + 5954TIP3 H224172 1.405 -1.959 -2.125 + 5955TIP3 OH224173 2.441 -1.658 -1.174 + 5955TIP3 H124174 2.487 -1.731 -1.222 + 5955TIP3 H224175 2.409 -1.705 -1.095 + 5956TIP3 OH224176 2.165 -2.064 -1.673 + 5956TIP3 H124177 2.071 -2.066 -1.647 + 5956TIP3 H224178 2.208 -2.080 -1.587 + 5957TIP3 OH224179 1.623 -1.938 -1.806 + 5957TIP3 H124180 1.539 -1.914 -1.850 + 5957TIP3 H224181 1.651 -2.018 -1.854 + 5958TIP3 OH224182 1.987 -1.908 -2.037 + 5958TIP3 H124183 2.083 -1.898 -2.030 + 5958TIP3 H224184 1.961 -1.847 -2.107 + 5959TIP3 OH224185 2.603 -2.144 -1.369 + 5959TIP3 H124186 2.540 -2.147 -1.294 + 5959TIP3 H224187 2.548 -2.181 -1.440 + 5960TIP3 OH224188 1.831 -1.780 -2.259 + 5960TIP3 H124189 1.773 -1.809 -2.331 + 5960TIP3 H224190 1.913 -1.763 -2.307 + 5961TIP3 OH224191 2.908 -0.574 -0.696 + 5961TIP3 H124192 2.909 -0.527 -0.780 + 5961TIP3 H224193 2.973 -0.525 -0.644 + 5962TIP3 OH224194 2.266 -1.810 -1.491 + 5962TIP3 H124195 2.343 -1.851 -1.533 + 5962TIP3 H224196 2.251 -1.868 -1.414 + 5963TIP3 OH224197 1.796 -2.166 -1.873 + 5963TIP3 H124198 1.742 -2.245 -1.857 + 5963TIP3 H224199 1.878 -2.204 -1.908 + 5964TIP3 OH224200 2.164 -1.963 -1.264 + 5964TIP3 H124201 2.088 -1.903 -1.260 + 5964TIP3 H224202 2.215 -1.938 -1.184 + 5965TIP3 OH224203 2.180 -1.325 -2.076 + 5965TIP3 H124204 2.102 -1.374 -2.109 + 5965TIP3 H224205 2.159 -1.317 -1.979 + 5966TIP3 OH224206 2.908 -1.427 -1.200 + 5966TIP3 H124207 2.942 -1.344 -1.242 + 5966TIP3 H224208 2.819 -1.430 -1.240 + 5967TIP3 OH224209 2.597 -2.034 -2.307 + 5967TIP3 H124210 2.499 -2.044 -2.301 + 5967TIP3 H224211 2.616 -1.970 -2.235 + 5968TIP3 OH224212 2.326 -1.329 -0.940 + 5968TIP3 H124213 2.308 -1.359 -0.850 + 5968TIP3 H224214 2.323 -1.234 -0.931 + 5969TIP3 OH224215 2.664 -1.860 -2.098 + 5969TIP3 H124216 2.748 -1.875 -2.050 + 5969TIP3 H224217 2.674 -1.769 -2.130 + 5970TIP3 OH224218 1.679 -1.401 -1.499 + 5970TIP3 H124219 1.747 -1.410 -1.568 + 5970TIP3 H224220 1.697 -1.478 -1.442 + 5971TIP3 OH224221 2.418 -1.187 -2.188 + 5971TIP3 H124222 2.395 -1.102 -2.144 + 5971TIP3 H224223 2.346 -1.244 -2.156 + 5972TIP3 OH224224 2.106 -1.592 -0.738 + 5972TIP3 H124225 2.073 -1.610 -0.826 + 5972TIP3 H224226 2.199 -1.613 -0.744 + 5973TIP3 OH224227 2.585 -1.086 -0.976 + 5973TIP3 H124228 2.498 -1.054 -1.008 + 5973TIP3 H224229 2.596 -1.034 -0.896 + 5974TIP3 OH224230 3.123 -1.862 -2.119 + 5974TIP3 H124231 3.064 -1.877 -2.195 + 5974TIP3 H224232 3.136 -1.765 -2.128 + 5975TIP3 OH224233 3.165 -1.258 -0.840 + 5975TIP3 H124234 3.075 -1.226 -0.863 + 5975TIP3 H224235 3.201 -1.272 -0.930 + 5976TIP3 OH224236 2.932 -1.002 -2.122 + 5976TIP3 H124237 2.907 -1.063 -2.050 + 5976TIP3 H224238 3.007 -1.046 -2.162 + 5977TIP3 OH224239 2.667 -1.465 -1.365 + 5977TIP3 H124240 2.574 -1.479 -1.392 + 5977TIP3 H224241 2.713 -1.533 -1.418 + 5978TIP3 OH224242 1.929 -1.058 -1.775 + 5978TIP3 H124243 1.974 -0.971 -1.775 + 5978TIP3 H224244 1.837 -1.031 -1.788 + 5979TIP3 OH224245 1.517 -1.575 -2.291 + 5979TIP3 H124246 1.586 -1.514 -2.258 + 5979TIP3 H224247 1.440 -1.517 -2.287 + 5980TIP3 OH224248 2.114 -1.287 -1.809 + 5980TIP3 H124249 2.084 -1.196 -1.791 + 5980TIP3 H224250 2.046 -1.338 -1.763 + 5981TIP3 OH224251 2.140 -0.871 -1.179 + 5981TIP3 H124252 2.191 -0.793 -1.205 + 5981TIP3 H224253 2.202 -0.917 -1.122 + 5982TIP3 OH224254 1.976 -0.765 -1.850 + 5982TIP3 H124255 1.881 -0.754 -1.837 + 5982TIP3 H224256 2.010 -0.677 -1.821 + 5983TIP3 OH224257 2.468 -1.292 -1.213 + 5983TIP3 H124258 2.444 -1.314 -1.122 + 5983TIP3 H224259 2.547 -1.346 -1.227 + 5984TIP3 OH224260 2.690 -1.147 -2.323 + 5984TIP3 H124261 2.733 -1.191 -2.247 + 5984TIP3 H224262 2.597 -1.164 -2.299 + 5985TIP3 OH224263 2.760 -0.817 -0.948 + 5985TIP3 H124264 2.691 -0.862 -0.999 + 5985TIP3 H224265 2.769 -0.736 -1.001 + 5986TIP3 OH224266 3.161 -0.731 -2.271 + 5986TIP3 H124267 3.233 -0.666 -2.286 + 5986TIP3 H224268 3.086 -0.668 -2.264 + 5987TIP3 OH224269 1.532 -2.086 -1.011 + 5987TIP3 H124270 1.439 -2.063 -1.019 + 5987TIP3 H224271 1.527 -2.171 -0.963 + 5988TIP3 OH224272 2.785 -1.303 -2.093 + 5988TIP3 H124273 2.755 -1.365 -2.024 + 5988TIP3 H224274 2.878 -1.292 -2.069 + 5989TIP3 OH224275 2.112 -1.052 -2.464 + 5989TIP3 H124276 2.141 -1.133 -2.511 + 5989TIP3 H224277 2.071 -1.090 -2.385 + 5990TIP3 OH224278 1.997 -1.099 -2.193 + 5990TIP3 H124279 2.046 -1.152 -2.128 + 5990TIP3 H224280 2.011 -1.008 -2.159 + 5991TIP3 OH224281 1.667 -1.349 -2.150 + 5991TIP3 H124282 1.599 -1.311 -2.092 + 5991TIP3 H224283 1.718 -1.269 -2.173 + 5992TIP3 OH224284 2.447 -2.110 -1.150 + 5992TIP3 H124285 2.508 -2.082 -1.080 + 5992TIP3 H224286 2.398 -2.182 -1.108 + 5993TIP3 OH224287 2.516 -2.167 -2.024 + 5993TIP3 H124288 2.527 -2.106 -2.099 + 5993TIP3 H224289 2.555 -2.116 -1.951 + 5994TIP3 OH224290 2.289 -0.940 -2.132 + 5994TIP3 H124291 2.210 -0.889 -2.107 + 5994TIP3 H224292 2.327 -0.885 -2.202 + 5995TIP3 OH224293 2.253 -1.966 -1.930 + 5995TIP3 H124294 2.327 -1.903 -1.914 + 5995TIP3 H224295 2.223 -1.983 -1.839 + 5996TIP3 OH224296 2.289 -1.872 -1.015 + 5996TIP3 H124297 2.288 -1.819 -0.933 + 5996TIP3 H224298 2.342 -1.948 -0.987 + 5997TIP3 OH224299 2.307 -2.264 -1.837 + 5997TIP3 H124300 2.290 -2.198 -1.767 + 5997TIP3 H224301 2.383 -2.223 -1.883 + 5998TIP3 OH224302 2.011 -0.828 -2.129 + 5998TIP3 H124303 2.004 -0.745 -2.180 + 5998TIP3 H224304 1.997 -0.797 -2.037 + 5999TIP3 OH224305 1.885 -2.161 -2.183 + 5999TIP3 H124306 1.885 -2.086 -2.121 + 5999TIP3 H224307 1.965 -2.209 -2.155 + 6000TIP3 OH224308 2.919 -2.070 -0.927 + 6000TIP3 H124309 2.822 -2.058 -0.939 + 6000TIP3 H224310 2.939 -2.100 -1.017 + 6001TIP3 OH224311 2.769 -1.690 -1.527 + 6001TIP3 H124312 2.684 -1.733 -1.548 + 6001TIP3 H224313 2.816 -1.759 -1.476 + 6002TIP3 OH224314 1.723 -1.075 -2.278 + 6002TIP3 H124315 1.795 -1.024 -2.235 + 6002TIP3 H224316 1.776 -1.127 -2.340 + 6003TIP3 OH224317 1.531 -1.852 -2.353 + 6003TIP3 H124318 1.542 -1.758 -2.332 + 6003TIP3 H224319 1.452 -1.852 -2.408 + 6004TIP3 OH224320 2.837 -0.785 -1.377 + 6004TIP3 H124321 2.864 -0.705 -1.424 + 6004TIP3 H224322 2.919 -0.834 -1.364 + 6005TIP3 OH224323 1.632 -2.353 -1.485 + 6005TIP3 H124324 1.612 -2.355 -1.581 + 6005TIP3 H224325 1.597 -2.438 -1.454 + 6006TIP3 OH224326 1.500 -1.021 -1.876 + 6006TIP3 H124327 1.441 -0.957 -1.835 + 6006TIP3 H224328 1.565 -0.963 -1.918 + 6007TIP3 OH224329 2.334 -0.879 -2.418 + 6007TIP3 H124330 2.256 -0.939 -2.420 + 6007TIP3 H224331 2.402 -0.941 -2.450 + 6008TIP3 OH224332 2.538 -0.989 -0.690 + 6008TIP3 H124333 2.542 -1.082 -0.668 + 6008TIP3 H224334 2.609 -0.949 -0.636 + 6009TIP3 OH224335 2.814 -0.897 -2.445 + 6009TIP3 H124336 2.826 -0.961 -2.373 + 6009TIP3 H224337 2.904 -0.865 -2.460 + 6010TIP3 OH224338 1.876 -1.309 -2.429 + 6010TIP3 H124339 1.893 -1.367 -2.353 + 6010TIP3 H224340 1.963 -1.313 -2.474 + 6011TIP3 OH224341 2.403 -1.173 -2.467 + 6011TIP3 H124342 2.396 -1.179 -2.370 + 6011TIP3 H224343 2.395 -1.268 -2.490 + 6012TIP3 OH224344 2.657 -1.371 -0.958 + 6012TIP3 H124345 2.731 -1.316 -0.987 + 6012TIP3 H224346 2.588 -1.303 -0.952 + 6013TIP3 OH224347 1.980 -1.498 -2.198 + 6013TIP3 H124348 1.925 -1.550 -2.138 + 6013TIP3 H224349 2.013 -1.567 -2.259 + 6014TIP3 OH224350 1.897 -1.699 -0.969 + 6014TIP3 H124351 1.870 -1.620 -0.922 + 6014TIP3 H224352 1.975 -1.669 -1.020 + 6015TIP3 OH224353 2.081 -1.697 -2.369 + 6015TIP3 H124354 2.075 -1.690 -2.466 + 6015TIP3 H224355 2.178 -1.699 -2.356 + 6016TIP3 OH224356 2.478 -1.435 -0.646 + 6016TIP3 H124357 2.558 -1.485 -0.668 + 6016TIP3 H224358 2.418 -1.503 -0.615 + 6017TIP3 OH224359 3.022 -1.451 -2.431 + 6017TIP3 H124360 3.022 -1.491 -2.520 + 6017TIP3 H224361 3.046 -1.360 -2.451 + 6018TIP3 OH224362 1.956 -1.987 -0.852 + 6018TIP3 H124363 1.968 -2.052 -0.924 + 6018TIP3 H224364 1.939 -1.905 -0.901 + 6019TIP3 OH224365 2.000 -2.148 -1.111 + 6019TIP3 H124366 2.052 -2.093 -1.172 + 6019TIP3 H224367 1.909 -2.140 -1.144 + 6020TIP3 OH224368 2.147 -1.602 -1.080 + 6020TIP3 H124369 2.236 -1.608 -1.118 + 6020TIP3 H224370 2.125 -1.509 -1.098 + 6021TIP3 OH224371 2.611 -1.804 -0.595 + 6021TIP3 H124372 2.628 -1.898 -0.577 + 6021TIP3 H224373 2.700 -1.768 -0.602 + 6022TIP3 OH224374 2.725 -1.532 -0.745 + 6022TIP3 H124375 2.682 -1.473 -0.810 + 6022TIP3 H224376 2.814 -1.539 -0.786 + 6023TIP3 OH224377 1.783 -1.815 -0.657 + 6023TIP3 H124378 1.712 -1.881 -0.669 + 6023TIP3 H224379 1.857 -1.849 -0.708 + 6024TIP3 OH224380 2.072 -2.414 -1.076 + 6024TIP3 H124381 2.055 -2.318 -1.091 + 6024TIP3 H224382 2.000 -2.454 -1.129 + 6025TIP3 OH224383 2.197 -1.963 -0.699 + 6025TIP3 H124384 2.163 -1.979 -0.609 + 6025TIP3 H224385 2.114 -1.976 -0.749 + 6026TIP3 OH224386 2.451 -2.052 -0.812 + 6026TIP3 H124387 2.363 -2.044 -0.771 + 6026TIP3 H224388 2.496 -2.115 -0.751 + 6027TIP3 OH224389 2.644 -2.204 -0.635 + 6027TIP3 H124390 2.621 -2.298 -0.621 + 6027TIP3 H224391 2.618 -2.162 -0.550 + 6028TIP3 OH224392 1.590 -2.040 -0.672 + 6028TIP3 H124393 1.610 -2.099 -0.746 + 6028TIP3 H224394 1.604 -2.099 -0.595 + 6029TIP3 OH224395 2.054 -2.467 -0.795 + 6029TIP3 H124396 2.117 -2.541 -0.789 + 6029TIP3 H224397 2.053 -2.450 -0.891 + 6030TIP3 OH224398 2.151 -2.280 -0.609 + 6030TIP3 H124399 2.115 -2.336 -0.680 + 6030TIP3 H224400 2.084 -2.210 -0.600 + 6031TIP3 OH224401 2.056 -0.574 -2.263 + 6031TIP3 H124402 2.151 -0.559 -2.245 + 6031TIP3 H224403 2.046 -0.527 -2.346 + 6032TIP3 OH224404 1.447 -1.134 -2.308 + 6032TIP3 H124405 1.542 -1.114 -2.290 + 6032TIP3 H224406 1.454 -1.212 -2.366 + 6033TIP3 OH224407 1.400 -0.802 -1.659 + 6033TIP3 H124408 1.357 -0.883 -1.627 + 6033TIP3 H224409 1.407 -0.755 -1.574 + 6034TIP3 OH224410 3.145 -0.669 -1.345 + 6034TIP3 H124411 3.139 -0.693 -1.251 + 6034TIP3 H224412 3.240 -0.665 -1.359 + 6035TIP3 OH224413 3.111 -0.759 -1.055 + 6035TIP3 H124414 3.053 -0.829 -1.089 + 6035TIP3 H224415 3.166 -0.807 -0.992 + 6036TIP3 OH224416 2.941 -1.187 -0.586 + 6036TIP3 H124417 2.850 -1.191 -0.555 + 6036TIP3 H224418 2.971 -1.099 -0.559 + 6037TIP3 OH224419 3.075 -1.308 -2.046 + 6037TIP3 H124420 3.165 -1.278 -2.025 + 6037TIP3 H224421 3.060 -1.370 -1.972 + 6038TIP3 OH224422 3.117 -1.516 -1.850 + 6038TIP3 H124423 3.049 -1.568 -1.803 + 6038TIP3 H224424 3.184 -1.500 -1.780 + 6039TIP3 OH224425 3.147 -1.568 -2.190 + 6039TIP3 H124426 3.091 -1.538 -2.263 + 6039TIP3 H224427 3.131 -1.500 -2.123 + 6040TIP3 OH224428 2.964 -1.810 -2.366 + 6040TIP3 H124429 2.998 -1.750 -2.434 + 6040TIP3 H224430 2.947 -1.892 -2.415 + 6041TIP3 OH224431 2.908 -1.701 -1.766 + 6041TIP3 H124432 2.901 -1.797 -1.776 + 6041TIP3 H224433 2.872 -1.688 -1.676 + 6042TIP3 OH224434 1.384 -1.510 -1.388 + 6042TIP3 H124435 1.418 -1.476 -1.472 + 6042TIP3 H224436 1.464 -1.507 -1.332 + 6043TIP3 OH224437 2.977 -1.502 -0.849 + 6043TIP3 H124438 3.048 -1.567 -0.836 + 6043TIP3 H224439 3.026 -1.422 -0.872 + 6044TIP3 OH224440 3.129 -1.697 -0.730 + 6044TIP3 H124441 3.047 -1.747 -0.751 + 6044TIP3 H224442 3.195 -1.769 -0.733 + 6045TIP3 OH224443 2.919 -2.095 -2.456 + 6045TIP3 H124444 2.975 -2.126 -2.382 + 6045TIP3 H224445 2.832 -2.131 -2.435 + 6046TIP3 OH224446 2.895 -1.951 -1.949 + 6046TIP3 H124447 2.920 -2.046 -1.939 + 6046TIP3 H224448 2.978 -1.915 -1.984 + 6047TIP3 OH224449 2.921 -1.887 -1.404 + 6047TIP3 H124450 3.018 -1.880 -1.403 + 6047TIP3 H224451 2.903 -1.888 -1.308 + 6048TIP3 OH224452 2.938 -1.818 -1.121 + 6048TIP3 H124453 2.852 -1.782 -1.095 + 6048TIP3 H224454 2.988 -1.738 -1.143 + 6049TIP3 OH224455 3.197 -2.402 -0.590 + 6049TIP3 H124456 3.233 -2.473 -0.648 + 6049TIP3 H224457 3.195 -2.327 -0.652 + 6050TIP3 OH224458 2.946 -2.231 -1.949 + 6050TIP3 H124459 2.959 -2.262 -1.857 + 6050TIP3 H224460 2.865 -2.279 -1.974 + 6051TIP3 OH224461 1.461 -2.107 -1.473 + 6051TIP3 H124462 1.504 -2.193 -1.463 + 6051TIP3 H224463 1.530 -2.047 -1.439 + 6052TIP3 OH224464 1.315 -1.825 -1.354 + 6052TIP3 H124465 1.372 -1.834 -1.431 + 6052TIP3 H224466 1.343 -1.737 -1.322 + 6053TIP3 OH224467 3.129 -2.200 -0.768 + 6053TIP3 H124468 3.041 -2.159 -0.765 + 6053TIP3 H224469 3.119 -2.255 -0.848 + 6054TIP3 OH224470 3.140 -2.172 -2.292 + 6054TIP3 H124471 3.172 -2.260 -2.320 + 6054TIP3 H224472 3.223 -2.128 -2.266 + 6055TIP3 OH224473 1.367 -2.211 -1.965 + 6055TIP3 H124474 1.272 -2.203 -1.985 + 6055TIP3 H224475 1.408 -2.149 -2.029 + 6056TIP3 OH224476 2.828 -0.668 -1.757 + 6056TIP3 H124477 2.877 -0.708 -1.831 + 6056TIP3 H224478 2.898 -0.650 -1.694 + 6057TIP3 OH224479 1.369 -2.326 -1.153 + 6057TIP3 H124480 1.305 -2.345 -1.083 + 6057TIP3 H224481 1.317 -2.268 -1.212 + 6058TIP3 OH224482 3.005 -2.376 -0.966 + 6058TIP3 H124483 2.933 -2.354 -1.028 + 6058TIP3 H224484 3.033 -2.464 -0.999 + 6059TIP3 OH224485 1.850 -0.692 -1.225 + 6059TIP3 H124486 1.829 -0.667 -1.136 + 6059TIP3 H224487 1.886 -0.611 -1.265 + 6060TIP3 OH224488 2.298 -0.635 -1.255 + 6060TIP3 H124489 2.281 -0.572 -1.326 + 6060TIP3 H224490 2.310 -0.576 -1.177 + 6061TIP3 OH224491 2.546 -0.766 -1.186 + 6061TIP3 H124492 2.456 -0.733 -1.202 + 6061TIP3 H224493 2.588 -0.684 -1.154 + 6062TIP3 OH224494 2.823 -0.595 -1.151 + 6062TIP3 H124495 2.788 -0.511 -1.182 + 6062TIP3 H224496 2.826 -0.647 -1.234 + 6063TIP3 OH224497 1.552 -0.769 -1.362 + 6063TIP3 H124498 1.572 -0.794 -1.271 + 6063TIP3 H224499 1.634 -0.794 -1.409 + 6064TIP3 OH224500 1.755 -0.857 -1.546 + 6064TIP3 H124501 1.743 -0.950 -1.520 + 6064TIP3 H224502 1.844 -0.837 -1.510 + 6065TIP3 OH224503 2.026 -0.815 -1.454 + 6065TIP3 H124504 2.050 -0.907 -1.474 + 6065TIP3 H224505 2.031 -0.817 -1.356 + 6066TIP3 OH224506 2.358 -2.226 -1.526 + 6066TIP3 H124507 2.290 -2.294 -1.510 + 6066TIP3 H224508 2.422 -2.273 -1.582 + 6067TIP3 OH224509 2.827 -2.385 -1.465 + 6067TIP3 H124510 2.915 -2.411 -1.497 + 6067TIP3 H224511 2.771 -2.394 -1.543 + 6068TIP3 OH224512 3.056 -2.314 -1.700 + 6068TIP3 H124513 3.134 -2.359 -1.735 + 6068TIP3 H224514 3.090 -2.226 -1.675 + 6069TIP3 OH224515 1.595 -2.356 -1.768 + 6069TIP3 H124516 1.509 -2.370 -1.812 + 6069TIP3 H224517 1.638 -2.442 -1.782 + 6070TIP3 OH224518 1.474 -2.405 -2.184 + 6070TIP3 H124519 1.528 -2.339 -2.232 + 6070TIP3 H224520 1.436 -2.352 -2.112 + 6071TIP3 OH224521 2.042 -2.375 -1.780 + 6071TIP3 H124522 2.132 -2.341 -1.794 + 6071TIP3 H224523 2.039 -2.381 -1.684 + 6072TIP3 OH224524 2.590 -2.366 -1.651 + 6072TIP3 H124525 2.627 -2.390 -1.737 + 6072TIP3 H224526 2.561 -2.453 -1.617 + 6073TIP3 OH224527 2.713 -2.370 -2.044 + 6073TIP3 H124528 2.632 -2.316 -2.050 + 6073TIP3 H224529 2.676 -2.458 -2.025 + 6074TIP3 OH224530 1.492 -0.805 -2.084 + 6074TIP3 H124531 1.414 -0.815 -2.139 + 6074TIP3 H224532 1.489 -0.711 -2.064 + 6075TIP3 OH224533 1.649 -2.228 -2.335 + 6075TIP3 H124534 1.711 -2.277 -2.391 + 6075TIP3 H224535 1.710 -2.190 -2.269 + 6076TIP3 OH224536 2.159 -2.207 -2.075 + 6076TIP3 H124537 2.193 -2.263 -2.004 + 6076TIP3 H224538 2.175 -2.119 -2.037 + 6077TIP3 OH224539 2.367 -0.627 -2.254 + 6077TIP3 H124540 2.464 -0.629 -2.258 + 6077TIP3 H224541 2.344 -0.693 -2.320 + 6078TIP3 OH224542 3.016 -0.726 -1.995 + 6078TIP3 H124543 2.987 -0.808 -2.039 + 6078TIP3 H224544 3.006 -0.661 -2.067 + 6079TIP3 OH224545 1.573 -2.331 -0.820 + 6079TIP3 H124546 1.539 -2.413 -0.780 + 6079TIP3 H224547 1.665 -2.332 -0.786 + 6080TIP3 OH224548 1.815 -2.394 -0.642 + 6080TIP3 H124549 1.897 -2.429 -0.682 + 6080TIP3 H224550 1.780 -2.473 -0.600 + 6081TIP3 OH224551 1.638 -0.714 -2.382 + 6081TIP3 H124552 1.616 -0.694 -2.290 + 6081TIP3 H224553 1.715 -0.772 -2.371 + 6082TIP3 OH224554 2.625 -2.484 -0.625 + 6082TIP3 H124555 2.630 -2.523 -0.535 + 6082TIP3 H224556 2.719 -2.485 -0.651 + 6083TIP3 OH224557 2.954 -0.849 -0.749 + 6083TIP3 H124558 2.884 -0.865 -0.816 + 6083TIP3 H224559 2.940 -0.753 -0.737 + 6084TIP3 OH224560 4.216 -1.576 -1.427 + 6084TIP3 H124561 4.293 -1.542 -1.377 + 6084TIP3 H224562 4.247 -1.571 -1.518 + 6085TIP3 OH224563 3.513 -1.578 -1.271 + 6085TIP3 H124564 3.509 -1.651 -1.208 + 6085TIP3 H224565 3.583 -1.523 -1.233 + 6086TIP3 OH224566 3.587 -1.115 -1.413 + 6086TIP3 H124567 3.559 -1.204 -1.441 + 6086TIP3 H224568 3.681 -1.131 -1.398 + 6087TIP3 OH224569 3.283 -1.774 -1.885 + 6087TIP3 H124570 3.243 -1.687 -1.865 + 6087TIP3 H224571 3.205 -1.824 -1.913 + 6088TIP3 OH224572 3.358 -1.529 -1.696 + 6088TIP3 H124573 3.372 -1.606 -1.637 + 6088TIP3 H224574 3.445 -1.519 -1.736 + 6089TIP3 OH224575 4.120 -1.287 -1.365 + 6089TIP3 H124576 4.145 -1.358 -1.426 + 6089TIP3 H224577 4.205 -1.263 -1.326 + 6090TIP3 OH224578 3.747 -2.051 -1.619 + 6090TIP3 H124579 3.758 -1.964 -1.664 + 6090TIP3 H224580 3.708 -2.103 -1.692 + 6091TIP3 OH224581 3.413 -1.779 -1.569 + 6091TIP3 H124582 3.473 -1.827 -1.510 + 6091TIP3 H224583 3.423 -1.829 -1.652 + 6092TIP3 OH224584 3.952 -1.643 -1.621 + 6092TIP3 H124585 4.026 -1.695 -1.585 + 6092TIP3 H224586 3.901 -1.712 -1.667 + 6093TIP3 OH224587 3.626 -2.171 -1.203 + 6093TIP3 H124588 3.585 -2.122 -1.276 + 6093TIP3 H224589 3.558 -2.162 -1.133 + 6094TIP3 OH224590 3.917 -1.390 -1.187 + 6094TIP3 H124591 3.843 -1.330 -1.163 + 6094TIP3 H224592 3.980 -1.330 -1.229 + 6095TIP3 OH224593 3.585 -1.969 -1.409 + 6095TIP3 H124594 3.648 -1.910 -1.364 + 6095TIP3 H224595 3.642 -2.006 -1.479 + 6096TIP3 OH224596 3.716 -1.197 -1.114 + 6096TIP3 H124597 3.712 -1.107 -1.151 + 6096TIP3 H224598 3.627 -1.202 -1.074 + 6097TIP3 OH224599 3.348 -1.227 -2.029 + 6097TIP3 H124600 3.328 -1.175 -2.108 + 6097TIP3 H224601 3.366 -1.158 -1.961 + 6098TIP3 OH224602 4.043 -2.426 -1.487 + 6098TIP3 H124603 4.014 -2.519 -1.490 + 6098TIP3 H224604 3.963 -2.382 -1.453 + 6099TIP3 OH224605 4.266 -1.548 -2.029 + 6099TIP3 H124606 4.200 -1.477 -2.037 + 6099TIP3 H224607 4.336 -1.513 -2.084 + 6100TIP3 OH224608 4.287 -1.700 -2.304 + 6100TIP3 H124609 4.372 -1.692 -2.257 + 6100TIP3 H224610 4.302 -1.772 -2.366 + 6101TIP3 OH224611 3.759 -1.454 -1.730 + 6101TIP3 H124612 3.729 -1.498 -1.812 + 6101TIP3 H224613 3.824 -1.518 -1.696 + 6102TIP3 OH224614 3.897 -1.115 -1.454 + 6102TIP3 H124615 3.888 -1.153 -1.542 + 6102TIP3 H224616 3.977 -1.160 -1.421 + 6103TIP3 OH224617 3.816 -1.574 -1.380 + 6103TIP3 H124618 3.875 -1.572 -1.459 + 6103TIP3 H224619 3.855 -1.505 -1.323 + 6104TIP3 OH224620 3.902 -1.137 -0.897 + 6104TIP3 H124621 3.849 -1.068 -0.854 + 6104TIP3 H224622 3.841 -1.165 -0.968 + 6105TIP3 OH224623 3.596 -1.504 -0.984 + 6105TIP3 H124624 3.599 -1.444 -0.908 + 6105TIP3 H224625 3.499 -1.512 -0.997 + 6106TIP3 OH224626 4.243 -0.928 -1.808 + 6106TIP3 H124627 4.299 -0.881 -1.745 + 6106TIP3 H224628 4.195 -0.857 -1.851 + 6107TIP3 OH224629 3.713 -0.923 -0.816 + 6107TIP3 H124630 3.702 -0.915 -0.912 + 6107TIP3 H224631 3.623 -0.946 -0.786 + 6108TIP3 OH224632 3.652 -1.579 -1.977 + 6108TIP3 H124633 3.630 -1.502 -2.033 + 6108TIP3 H224634 3.582 -1.641 -2.000 + 6109TIP3 OH224635 3.259 -1.307 -1.109 + 6109TIP3 H124636 3.210 -1.296 -1.193 + 6109TIP3 H224637 3.261 -1.403 -1.100 + 6110TIP3 OH224638 3.300 -0.999 -1.437 + 6110TIP3 H124639 3.373 -1.053 -1.402 + 6110TIP3 H224640 3.232 -1.009 -1.368 + 6111TIP3 OH224641 4.175 -1.039 -0.941 + 6111TIP3 H124642 4.179 -0.946 -0.913 + 6111TIP3 H224643 4.081 -1.062 -0.928 + 6112TIP3 OH224644 4.169 -0.641 -1.967 + 6112TIP3 H124645 4.223 -0.654 -2.045 + 6112TIP3 H224646 4.216 -0.570 -1.921 + 6113TIP3 OH224647 3.572 -0.738 -1.793 + 6113TIP3 H124648 3.590 -0.783 -1.708 + 6113TIP3 H224649 3.488 -0.779 -1.819 + 6114TIP3 OH224650 3.472 -1.156 -0.979 + 6114TIP3 H124651 3.500 -1.207 -0.901 + 6114TIP3 H224652 3.398 -1.208 -1.015 + 6115TIP3 OH224653 3.798 -2.308 -1.407 + 6115TIP3 H124654 3.714 -2.318 -1.455 + 6115TIP3 H224655 3.773 -2.237 -1.346 + 6116TIP3 OH224656 4.233 -2.373 -0.977 + 6116TIP3 H124657 4.244 -2.446 -0.914 + 6116TIP3 H224658 4.141 -2.389 -1.008 + 6117TIP3 OH224659 4.235 -2.095 -2.300 + 6117TIP3 H124660 4.167 -2.110 -2.233 + 6117TIP3 H224661 4.205 -2.156 -2.369 + 6118TIP3 OH224662 3.782 -1.828 -1.260 + 6118TIP3 H124663 3.715 -1.819 -1.190 + 6118TIP3 H224664 3.786 -1.737 -1.298 + 6119TIP3 OH224665 3.775 -1.822 -1.774 + 6119TIP3 H124666 3.678 -1.830 -1.788 + 6119TIP3 H224667 3.807 -1.840 -1.865 + 6120TIP3 OH224668 4.298 -1.804 -1.894 + 6120TIP3 H124669 4.268 -1.711 -1.895 + 6120TIP3 H224670 4.314 -1.819 -1.987 + 6121TIP3 OH224671 4.254 -1.738 -0.739 + 6121TIP3 H124672 4.194 -1.816 -0.729 + 6121TIP3 H224673 4.339 -1.787 -0.742 + 6122TIP3 OH224674 3.523 -1.814 -1.081 + 6122TIP3 H124675 3.537 -1.781 -0.991 + 6122TIP3 H224676 3.480 -1.900 -1.063 + 6123TIP3 OH224677 3.864 -2.051 -2.422 + 6123TIP3 H124678 3.824 -2.085 -2.340 + 6123TIP3 H224679 3.787 -2.037 -2.478 + 6124TIP3 OH224680 3.203 -2.062 -1.719 + 6124TIP3 H124681 3.258 -2.068 -1.638 + 6124TIP3 H224682 3.254 -2.112 -1.784 + 6125TIP3 OH224683 3.355 -2.026 -2.148 + 6125TIP3 H124684 3.414 -1.975 -2.208 + 6125TIP3 H224685 3.290 -1.957 -2.123 + 6126TIP3 OH224686 4.353 -1.689 -1.134 + 6126TIP3 H124687 4.379 -1.753 -1.204 + 6126TIP3 H224688 4.271 -1.729 -1.104 + 6127TIP3 OH224689 4.045 -2.088 -1.668 + 6127TIP3 H124690 3.952 -2.075 -1.645 + 6127TIP3 H224691 4.087 -2.059 -1.585 + 6128TIP3 OH224692 3.510 -1.939 -1.805 + 6128TIP3 H124693 3.427 -1.913 -1.848 + 6128TIP3 H224694 3.536 -2.020 -1.853 + 6129TIP3 OH224695 3.866 -1.910 -2.041 + 6129TIP3 H124696 3.962 -1.901 -2.030 + 6129TIP3 H224697 3.843 -1.844 -2.108 + 6130TIP3 OH224698 3.719 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-1.759 + 6155TIP3 H224775 4.272 -2.234 -1.857 + 6156TIP3 OH224776 3.889 -0.830 -2.130 + 6156TIP3 H124777 3.891 -0.747 -2.182 + 6156TIP3 H224778 3.882 -0.797 -2.039 + 6157TIP3 OH224779 3.769 -2.161 -2.187 + 6157TIP3 H124780 3.768 -2.087 -2.123 + 6157TIP3 H224781 3.849 -2.210 -2.159 + 6158TIP3 OH224782 3.609 -1.073 -2.280 + 6158TIP3 H124783 3.680 -1.024 -2.236 + 6158TIP3 H224784 3.662 -1.126 -2.341 + 6159TIP3 OH224785 3.424 -1.855 -2.364 + 6159TIP3 H124786 3.440 -1.761 -2.345 + 6159TIP3 H224787 3.335 -1.854 -2.398 + 6160TIP3 OH224788 3.521 -2.356 -1.484 + 6160TIP3 H124789 3.493 -2.359 -1.577 + 6160TIP3 H224790 3.481 -2.439 -1.447 + 6161TIP3 OH224791 3.402 -1.009 -1.863 + 6161TIP3 H124792 3.332 -0.956 -1.824 + 6161TIP3 H224793 3.441 -0.948 -1.928 + 6162TIP3 OH224794 3.342 -0.707 -0.737 + 6162TIP3 H124795 3.389 -0.736 -0.657 + 6162TIP3 H224796 3.293 -0.786 -0.764 + 6163TIP3 OH224797 3.811 -0.813 -0.560 + 6163TIP3 H124798 3.885 -0.874 -0.548 + 6163TIP3 H224799 3.787 -0.830 -0.653 + 6164TIP3 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6206TIP3 H124927 3.315 -0.820 -2.136 + 6206TIP3 H224928 3.379 -0.715 -2.051 + 6207TIP3 OH224929 3.533 -2.225 -2.339 + 6207TIP3 H124930 3.596 -2.281 -2.387 + 6207TIP3 H224931 3.592 -2.190 -2.268 + 6208TIP3 OH224932 4.063 -2.211 -2.082 + 6208TIP3 H124933 4.062 -2.272 -2.007 + 6208TIP3 H224934 4.061 -2.125 -2.035 + 6209TIP3 OH224935 4.271 -0.621 -2.279 + 6209TIP3 H124936 4.364 -0.621 -2.249 + 6209TIP3 H224937 4.264 -0.706 -2.325 + 6210TIP3 OH224938 3.459 -2.328 -0.806 + 6210TIP3 H124939 3.419 -2.414 -0.781 + 6210TIP3 H224940 3.553 -2.346 -0.792 + 6211TIP3 OH224941 3.704 -2.392 -0.635 + 6211TIP3 H124942 3.783 -2.430 -0.679 + 6211TIP3 H224943 3.661 -2.472 -0.601 + 6212TIP3 OH224944 3.522 -0.718 -2.386 + 6212TIP3 H124945 3.500 -0.691 -2.295 + 6212TIP3 H224946 3.600 -0.774 -2.372 + 6213TIP3 OH224947 -3.161 0.403 -1.739 + 6213TIP3 H124948 -3.158 0.499 -1.729 + 6213TIP3 H224949 -3.235 0.390 -1.799 + 6214TIP3 OH224950 -3.281 0.349 -1.433 + 6214TIP3 H124951 -3.278 0.291 -1.356 + 6214TIP3 H224952 -3.303 0.287 -1.504 + 6215TIP3 OH224953 -4.028 0.308 -1.270 + 6215TIP3 H124954 -4.033 0.234 -1.207 + 6215TIP3 H224955 -3.959 0.362 -1.230 + 6216TIP3 OH224956 -2.910 0.614 -1.612 + 6216TIP3 H124957 -2.945 0.542 -1.559 + 6216TIP3 H224958 -2.883 0.677 -1.543 + 6217TIP3 OH224959 -3.960 0.770 -1.421 + 6217TIP3 H124960 -3.988 0.679 -1.446 + 6217TIP3 H224961 -3.867 0.754 -1.398 + 6218TIP3 OH224962 -4.221 0.146 -2.014 + 6218TIP3 H124963 -4.253 0.219 -1.960 + 6218TIP3 H224964 -4.288 0.078 -1.994 + 6219TIP3 OH224965 -4.206 0.344 -1.715 + 6219TIP3 H124966 -4.187 0.282 -1.642 + 6219TIP3 H224967 -4.120 0.386 -1.729 + 6220TIP3 OH224968 -3.198 1.161 -1.545 + 6220TIP3 H124969 -3.143 1.088 -1.578 + 6220TIP3 H224970 -3.229 1.125 -1.461 + 6221TIP3 OH224971 -3.425 0.601 -1.378 + 6221TIP3 H124972 -3.394 0.526 -1.433 + 6221TIP3 H224973 -3.344 0.616 -1.327 + 6222TIP3 OH224974 -3.095 0.034 -1.328 + 6222TIP3 H124975 -3.084 -0.062 -1.319 + 6222TIP3 H224976 -3.105 0.044 -1.424 + 6223TIP3 OH224977 -3.800 -0.167 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1.120 -1.848 + 6307TIP3 H125230 -3.777 1.132 -1.837 + 6307TIP3 H225231 -3.647 1.207 -1.822 + 6308TIP3 OH225232 -3.179 0.599 -1.211 + 6308TIP3 H125233 -3.213 0.568 -1.125 + 6308TIP3 H225234 -3.107 0.536 -1.228 + 6309TIP3 OH225235 -2.968 0.737 -2.316 + 6309TIP3 H125236 -2.924 0.682 -2.248 + 6309TIP3 H225237 -3.060 0.716 -2.293 + 6310TIP3 OH225238 -2.900 1.073 -0.931 + 6310TIP3 H125239 -2.956 1.010 -0.979 + 6310TIP3 H225240 -2.860 1.126 -1.001 + 6311TIP3 OH225241 -2.493 1.156 -2.267 + 6311TIP3 H125242 -2.425 1.222 -2.289 + 6311TIP3 H225243 -2.571 1.213 -2.266 + 6312TIP3 OH225244 -4.101 -0.198 -1.002 + 6312TIP3 H125245 -4.187 -0.161 -1.027 + 6312TIP3 H225246 -4.123 -0.284 -0.962 + 6313TIP3 OH225247 -2.852 0.596 -2.076 + 6313TIP3 H125248 -2.895 0.522 -2.032 + 6313TIP3 H225249 -2.758 0.577 -2.055 + 6314TIP3 OH225250 -4.128 0.972 -1.160 + 6314TIP3 H125251 -4.109 0.877 -1.150 + 6314TIP3 H225252 -4.096 1.004 -1.074 + 6315TIP3 OH225253 -3.546 0.834 -2.465 + 6315TIP3 H125254 -3.516 0.754 -2.512 + 6315TIP3 H225255 -3.588 0.794 -2.386 + 6316TIP3 OH225256 -3.664 0.786 -2.191 + 6316TIP3 H125257 -3.612 0.730 -2.131 + 6316TIP3 H225258 -3.647 0.876 -2.156 + 6317TIP3 OH225259 -3.988 0.528 -2.159 + 6317TIP3 H125260 -4.057 0.568 -2.102 + 6317TIP3 H225261 -3.934 0.606 -2.177 + 6318TIP3 OH225262 -3.203 -0.219 -1.146 + 6318TIP3 H125263 -3.142 -0.198 -1.073 + 6318TIP3 H225264 -3.257 -0.291 -1.108 + 6319TIP3 OH225265 -3.145 -0.275 -2.032 + 6319TIP3 H125266 -3.123 -0.223 -2.111 + 6319TIP3 H225267 -3.099 -0.226 -1.962 + 6320TIP3 OH225268 -3.364 0.953 -2.128 + 6320TIP3 H125269 -3.448 0.999 -2.112 + 6320TIP3 H225270 -3.331 0.996 -2.208 + 6321TIP3 OH225271 -3.407 -0.079 -1.929 + 6321TIP3 H125272 -3.330 -0.020 -1.916 + 6321TIP3 H225273 -3.434 -0.096 -1.837 + 6322TIP3 OH225274 -3.369 0.011 -1.014 + 6322TIP3 H125275 -3.363 0.062 -0.932 + 6322TIP3 H225276 -3.313 -0.066 -0.993 + 6323TIP3 OH225277 -3.342 -0.377 -1.834 + 6323TIP3 H125278 -3.365 -0.307 -1.770 + 6323TIP3 H225279 -3.272 -0.334 -1.887 + 6324TIP3 OH225280 -3.644 1.057 -2.129 + 6324TIP3 H125281 -3.652 1.140 -2.181 + 6324TIP3 H225282 -3.658 1.089 -2.038 + 6325TIP3 OH225283 -3.771 -0.275 -2.177 + 6325TIP3 H125284 -3.763 -0.198 -2.119 + 6325TIP3 H225285 -3.693 -0.327 -2.152 + 6326TIP3 OH225286 -2.705 -0.225 -0.917 + 6326TIP3 H125287 -2.799 -0.202 -0.925 + 6326TIP3 H225288 -2.676 -0.214 -1.008 + 6327TIP3 OH225289 -2.877 0.183 -1.519 + 6327TIP3 H125290 -2.957 0.140 -1.552 + 6327TIP3 H225291 -2.828 0.109 -1.479 + 6328TIP3 OH225292 -3.929 0.821 -2.281 + 6328TIP3 H125293 -3.851 0.856 -2.234 + 6328TIP3 H225294 -3.886 0.757 -2.339 + 6329TIP3 OH225295 -4.110 0.038 -2.392 + 6329TIP3 H125296 -4.103 0.116 -2.336 + 6329TIP3 H225297 -4.200 0.006 -2.381 + 6330TIP3 OH225298 -2.782 1.085 -1.401 + 6330TIP3 H125299 -2.790 1.177 -1.434 + 6330TIP3 H225300 -2.701 1.087 -1.349 + 6331TIP3 OH225301 -4.026 -0.476 -1.484 + 6331TIP3 H125302 -4.056 -0.478 -1.576 + 6331TIP3 H225303 -4.069 -0.556 -1.447 + 6332TIP3 OH225304 -4.135 0.894 -1.858 + 6332TIP3 H125305 -4.227 0.923 -1.852 + 6332TIP3 H225306 -4.106 0.931 -1.942 + 6333TIP3 OH225307 -4.214 1.168 -0.739 + 6333TIP3 H125308 -4.152 1.169 -0.664 + 6333TIP3 H225309 -4.214 1.071 -0.753 + 6334TIP3 OH225310 -3.715 1.089 -0.568 + 6334TIP3 H125311 -3.661 1.014 -0.537 + 6334TIP3 H225312 -3.747 1.054 -0.653 + 6335TIP3 OH225313 -3.324 1.005 -2.414 + 6335TIP3 H125314 -3.399 0.942 -2.422 + 6335TIP3 H225315 -3.252 0.949 -2.447 + 6336TIP3 OH225316 -3.094 0.913 -0.700 + 6336TIP3 H125317 -3.123 0.826 -0.667 + 6336TIP3 H225318 -3.008 0.925 -0.656 + 6337TIP3 OH225319 -2.858 0.997 -2.402 + 6337TIP3 H125320 -2.851 0.913 -2.353 + 6337TIP3 H225321 -2.777 0.995 -2.457 + 6338TIP3 OH225322 -4.201 0.577 -0.674 + 6338TIP3 H125323 -4.185 0.484 -0.696 + 6338TIP3 H225324 -4.290 0.592 -0.708 + 6339TIP3 OH225325 -3.781 0.576 -2.430 + 6339TIP3 H125326 -3.764 0.517 -2.355 + 6339TIP3 H225327 -3.694 0.572 -2.476 + 6340TIP3 OH225328 -3.528 0.556 -0.700 + 6340TIP3 H125329 -3.570 0.587 -0.782 + 6340TIP3 H225330 -3.530 0.459 -0.711 + 6341TIP3 OH225331 -3.258 0.712 -2.468 + 6341TIP3 H125332 -3.260 0.706 -2.370 + 6341TIP3 H225333 -3.259 0.616 -2.490 + 6342TIP3 OH225334 -3.002 0.519 -0.953 + 6342TIP3 H125335 -2.928 0.578 -0.979 + 6342TIP3 H225336 -3.076 0.582 -0.953 + 6343TIP3 OH225337 -4.136 0.243 -0.695 + 6343TIP3 H125338 -4.056 0.189 -0.709 + 6343TIP3 H225339 -4.120 0.276 -0.605 + 6344TIP3 OH225340 -3.674 0.389 -2.197 + 6344TIP3 H125341 -3.733 0.336 -2.141 + 6344TIP3 H225342 -3.641 0.321 -2.259 + 6345TIP3 OH225343 -3.751 0.162 -0.972 + 6345TIP3 H125344 -3.803 0.242 -0.950 + 6345TIP3 H225345 -3.684 0.199 -1.033 + 6346TIP3 OH225346 -3.570 0.192 -2.367 + 6346TIP3 H125347 -3.575 0.191 -2.464 + 6346TIP3 H225348 -3.474 0.182 -2.353 + 6347TIP3 OH225349 -3.214 0.434 -0.615 + 6347TIP3 H125350 -3.125 0.415 -0.644 + 6347TIP3 H225351 -3.242 0.349 -0.579 + 6348TIP3 OH225352 -2.618 0.442 -2.438 + 6348TIP3 H125353 -2.636 0.385 -2.514 + 6348TIP3 H225354 -2.638 0.531 -2.472 + 6349TIP3 OH225355 -3.692 -0.109 -0.856 + 6349TIP3 H125356 -3.683 -0.174 -0.928 + 6349TIP3 H225357 -3.711 -0.027 -0.906 + 6350TIP3 OH225358 -3.657 -0.261 -1.110 + 6350TIP3 H125359 -3.605 -0.209 -1.175 + 6350TIP3 H225360 -3.747 -0.258 -1.147 + 6351TIP3 OH225361 -3.501 0.283 -1.072 + 6351TIP3 H125362 -3.417 0.275 -1.119 + 6351TIP3 H225363 -3.532 0.371 -1.102 + 6352TIP3 OH225364 -3.039 0.079 -0.596 + 6352TIP3 H125365 -3.020 -0.015 -0.581 + 6352TIP3 H225366 -2.948 0.112 -0.610 + 6353TIP3 OH225367 -2.915 0.362 -0.749 + 6353TIP3 H125368 -2.954 0.422 -0.817 + 6353TIP3 H225369 -2.830 0.341 -0.788 + 6354TIP3 OH225370 -3.882 0.083 -0.683 + 6354TIP3 H125371 -3.931 -0.001 -0.679 + 6354TIP3 H225372 -3.797 0.054 -0.720 + 6355TIP3 OH225373 -3.586 -0.529 -1.076 + 6355TIP3 H125374 -3.602 -0.433 -1.093 + 6355TIP3 H225375 -3.656 -0.570 -1.130 + 6356TIP3 OH225376 -3.457 -0.072 -0.697 + 6356TIP3 H125377 -3.492 -0.092 -0.609 + 6356TIP3 H225378 -3.537 -0.091 -0.751 + 6357TIP3 OH225379 -3.203 -0.168 -0.812 + 6357TIP3 H125380 -3.290 -0.163 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-1.364 + 6366TIP3 OH225406 -2.731 0.724 -0.603 + 6366TIP3 H125407 -2.805 0.702 -0.543 + 6366TIP3 H225408 -2.658 0.751 -0.547 + 6367TIP3 OH225409 -2.581 0.539 -2.004 + 6367TIP3 H125410 -2.491 0.573 -1.989 + 6367TIP3 H225411 -2.587 0.464 -1.943 + 6368TIP3 OH225412 -2.562 0.615 -1.341 + 6368TIP3 H125413 -2.486 0.566 -1.377 + 6368TIP3 H225414 -2.551 0.703 -1.378 + 6369TIP3 OH225415 -2.750 0.909 -1.148 + 6369TIP3 H125416 -2.812 0.913 -1.074 + 6369TIP3 H225417 -2.794 0.848 -1.209 + 6370TIP3 OH225418 -2.535 0.307 -2.179 + 6370TIP3 H125419 -2.571 0.333 -2.265 + 6370TIP3 H225420 -2.526 0.391 -2.133 + 6371TIP3 OH225421 -2.609 0.039 -2.335 + 6371TIP3 H125422 -2.647 0.114 -2.382 + 6371TIP3 H225423 -2.670 -0.031 -2.363 + 6372TIP3 OH225424 -2.741 0.218 -1.782 + 6372TIP3 H125425 -2.714 0.126 -1.795 + 6372TIP3 H225426 -2.754 0.223 -1.686 + 6373TIP3 OH225427 -4.254 0.438 -1.365 + 6373TIP3 H125428 -4.224 0.456 -1.455 + 6373TIP3 H225429 -4.175 0.395 -1.327 + 6374TIP3 OH225430 -2.747 -0.053 -1.943 + 6374TIP3 H125431 -2.725 -0.149 -1.952 + 6374TIP3 H225432 -2.675 -0.013 -1.992 + 6375TIP3 OH225433 -2.697 -0.018 -1.402 + 6375TIP3 H125434 -2.610 0.024 -1.411 + 6375TIP3 H225435 -2.711 -0.011 -1.306 + 6376TIP3 OH225436 -2.685 0.060 -1.098 + 6376TIP3 H125437 -2.780 0.075 -1.086 + 6376TIP3 H225438 -2.656 0.141 -1.145 + 6377TIP3 OH225439 -4.285 -0.069 -0.760 + 6377TIP3 H125440 -4.195 -0.107 -0.759 + 6377TIP3 H225441 -4.342 -0.146 -0.742 + 6378TIP3 OH225442 -2.701 -0.322 -1.973 + 6378TIP3 H125443 -2.679 -0.366 -1.889 + 6378TIP3 H225444 -2.776 -0.376 -2.003 + 6379TIP3 OH225445 -4.196 -0.215 -1.437 + 6379TIP3 H125446 -4.162 -0.305 -1.448 + 6379TIP3 H225447 -4.114 -0.163 -1.427 + 6380TIP3 OH225448 -4.331 0.048 -1.357 + 6380TIP3 H125449 -4.296 -0.009 -1.427 + 6380TIP3 H225450 -4.307 0.135 -1.389 + 6381TIP3 OH225451 -2.534 -0.288 -2.293 + 6381TIP3 H125452 -2.496 -0.366 -2.335 + 6381TIP3 H225453 -2.457 -0.239 -2.263 + 6382TIP3 OH225454 -4.323 -0.326 -1.985 + 6382TIP3 H125455 -4.396 -0.309 -2.045 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OH225481 -3.339 1.245 -1.269 + 6391TIP3 H125482 -3.378 1.289 -1.346 + 6391TIP3 H225483 -3.332 1.318 -1.205 + 6392TIP3 OH225484 -3.100 1.118 -1.179 + 6392TIP3 H125485 -3.187 1.150 -1.209 + 6392TIP3 H225486 -3.052 1.201 -1.168 + 6393TIP3 OH225487 -2.835 1.292 -1.146 + 6393TIP3 H125488 -2.852 1.384 -1.173 + 6393TIP3 H225489 -2.833 1.247 -1.231 + 6394TIP3 OH225490 -4.123 1.156 -1.390 + 6394TIP3 H125491 -4.134 1.109 -1.305 + 6394TIP3 H225492 -4.050 1.106 -1.429 + 6395TIP3 OH225493 -3.909 1.028 -1.541 + 6395TIP3 H125494 -3.927 0.935 -1.514 + 6395TIP3 H225495 -3.819 1.041 -1.506 + 6396TIP3 OH225496 -3.629 1.070 -1.454 + 6396TIP3 H125497 -3.612 0.977 -1.476 + 6396TIP3 H225498 -3.623 1.066 -1.357 + 6397TIP3 OH225499 -3.296 -0.341 -1.521 + 6397TIP3 H125500 -3.365 -0.408 -1.507 + 6397TIP3 H225501 -3.236 -0.385 -1.583 + 6398TIP3 OH225502 -2.800 -0.541 -1.470 + 6398TIP3 H125503 -2.734 -0.495 -1.523 + 6398TIP3 H225504 -2.882 -0.517 -1.516 + 6399TIP3 OH225505 -2.630 -0.440 -1.699 + 6399TIP3 H125506 -2.552 -0.486 -1.733 + 6399TIP3 H225507 -2.594 -0.356 -1.667 + 6400TIP3 OH225508 -4.111 -0.485 -1.762 + 6400TIP3 H125509 -4.168 -0.498 -1.840 + 6400TIP3 H225510 -4.043 -0.551 -1.780 + 6401TIP3 OH225511 -3.613 -0.483 -1.780 + 6401TIP3 H125512 -3.520 -0.458 -1.791 + 6401TIP3 H225513 -3.618 -0.498 -1.685 + 6402TIP3 OH225514 -3.052 -0.484 -1.637 + 6402TIP3 H125515 -3.030 -0.495 -1.730 + 6402TIP3 H225516 -3.095 -0.569 -1.616 + 6403TIP3 OH225517 -2.941 -0.481 -2.039 + 6403TIP3 H125518 -3.023 -0.430 -2.056 + 6403TIP3 H225519 -2.977 -0.571 -2.027 + 6404TIP3 OH225520 -4.186 1.079 -2.086 + 6404TIP3 H125521 -4.252 1.061 -2.154 + 6404TIP3 H225522 -4.183 1.175 -2.085 + 6405TIP3 OH225523 -4.002 -0.321 -2.347 + 6405TIP3 H125524 -3.965 -0.406 -2.375 + 6405TIP3 H225525 -3.965 -0.317 -2.257 + 6406TIP3 OH225526 -3.496 -0.319 -2.075 + 6406TIP3 H125527 -3.466 -0.378 -2.004 + 6406TIP3 H225528 -3.476 -0.233 -2.034 + 6407TIP3 OH225529 -3.294 1.260 -2.255 + 6407TIP3 H125530 -3.197 1.258 -2.256 + 6407TIP3 H225531 -3.314 1.191 -2.320 + 6408TIP3 OH225532 -2.640 1.161 -1.992 + 6408TIP3 H125533 -2.664 1.075 -2.033 + 6408TIP3 H225534 -2.648 1.221 -2.067 + 6409TIP3 OH225535 -4.079 -0.444 -0.817 + 6409TIP3 H125536 -4.124 -0.520 -0.776 + 6409TIP3 H225537 -3.988 -0.459 -0.788 + 6410TIP3 OH225538 -3.846 -0.507 -0.643 + 6410TIP3 H125539 -3.762 -0.539 -0.681 + 6410TIP3 H225540 -3.876 -0.586 -0.597 + 6411TIP3 OH225541 -4.011 1.179 -2.386 + 6411TIP3 H125542 -4.043 1.194 -2.296 + 6411TIP3 H225543 -3.943 1.111 -2.372 + 6412TIP3 OH225544 -3.019 -0.594 -0.626 + 6412TIP3 H125545 -3.016 -0.634 -0.537 + 6412TIP3 H225546 -2.925 -0.597 -0.652 + 6413TIP3 OH225547 -1.333 1.161 -1.562 + 6413TIP3 H125548 -1.263 1.097 -1.586 + 6413TIP3 H225549 -1.356 1.138 -1.470 + 6414TIP3 OH225550 -1.114 -0.143 -1.792 + 6414TIP3 H125551 -1.070 -0.172 -1.710 + 6414TIP3 H225552 -1.056 -0.073 -1.824 + 6415TIP3 OH225553 -2.319 0.653 -2.030 + 6415TIP3 H125554 -2.338 0.701 -2.113 + 6415TIP3 H225555 -2.299 0.725 -1.967 + 6416TIP3 OH225556 -1.134 0.997 -1.675 + 6416TIP3 H125557 -1.089 0.915 -1.706 + 6416TIP3 H225558 -1.068 1.064 -1.703 + 6417TIP3 OH225559 -1.011 0.775 -1.828 + 6417TIP3 H125560 -1.051 0.707 -1.883 + 6417TIP3 H225561 -0.975 0.724 -1.753 + 6418TIP3 OH225562 -1.379 0.186 -2.311 + 6418TIP3 H125563 -1.321 0.216 -2.239 + 6418TIP3 H225564 -1.321 0.126 -2.361 + 6419TIP3 OH225565 -1.170 0.305 -2.143 + 6419TIP3 H125566 -1.109 0.302 -2.069 + 6419TIP3 H225567 -1.120 0.356 -2.211 + 6420TIP3 OH225568 -1.391 0.987 -1.826 + 6420TIP3 H125569 -1.361 0.984 -1.735 + 6420TIP3 H225570 -1.471 1.041 -1.824 + 6421TIP3 OH225571 -0.820 -0.526 -2.209 + 6421TIP3 H125572 -0.905 -0.513 -2.163 + 6421TIP3 H225573 -0.782 -0.437 -2.205 + 6422TIP3 OH225574 -0.681 0.890 -2.357 + 6422TIP3 H125575 -0.662 0.983 -2.333 + 6422TIP3 H225576 -0.594 0.848 -2.342 + 6423TIP3 OH225577 -2.372 0.887 -1.411 + 6423TIP3 H125578 -2.315 0.819 -1.374 + 6423TIP3 H225579 -2.411 0.928 -1.333 + 6424TIP3 OH225580 -1.487 1.240 -1.963 + 6424TIP3 H125581 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0.111 -2.276 + 6433TIP3 OH225607 -1.175 -0.151 -2.274 + 6433TIP3 H125608 -1.273 -0.159 -2.284 + 6433TIP3 H225609 -1.164 -0.074 -2.217 + 6434TIP3 OH225610 -1.086 0.041 -2.043 + 6434TIP3 H125611 -0.994 0.013 -2.051 + 6434TIP3 H225612 -1.098 0.106 -2.113 + 6435TIP3 OH225613 -1.370 0.686 -2.183 + 6435TIP3 H125614 -1.389 0.761 -2.124 + 6435TIP3 H225615 -1.415 0.613 -2.138 + 6436TIP3 OH225616 -0.839 0.886 -2.106 + 6436TIP3 H125617 -0.864 0.810 -2.052 + 6436TIP3 H225618 -0.775 0.849 -2.168 + 6437TIP3 OH225619 -2.244 0.327 -2.316 + 6437TIP3 H125620 -2.181 0.362 -2.252 + 6437TIP3 H225621 -2.327 0.329 -2.265 + 6438TIP3 OH225622 -1.791 1.098 -1.849 + 6438TIP3 H125623 -1.884 1.106 -1.826 + 6438TIP3 H225624 -1.754 1.182 -1.818 + 6439TIP3 OH225625 -1.084 0.725 -2.301 + 6439TIP3 H125626 -1.038 0.675 -2.231 + 6439TIP3 H225627 -1.176 0.700 -2.282 + 6440TIP3 OH225628 -0.606 1.152 -2.263 + 6440TIP3 H125629 -0.533 1.213 -2.283 + 6440TIP3 H225630 -0.680 1.214 -2.269 + 6441TIP3 OH225631 -0.950 0.572 -2.060 + 6441TIP3 H125632 -0.996 0.504 -2.009 + 6441TIP3 H225633 -0.862 0.570 -2.020 + 6442TIP3 OH225634 -1.662 0.835 -2.465 + 6442TIP3 H125635 -1.634 0.756 -2.515 + 6442TIP3 H225636 -1.691 0.792 -2.382 + 6443TIP3 OH225637 -1.751 0.777 -2.194 + 6443TIP3 H125638 -1.703 0.731 -2.125 + 6443TIP3 H225639 -1.740 0.871 -2.167 + 6444TIP3 OH225640 -2.053 0.539 -2.106 + 6444TIP3 H125641 -2.145 0.545 -2.078 + 6444TIP3 H225642 -2.052 0.587 -2.189 + 6445TIP3 OH225643 -1.266 -0.283 -1.998 + 6445TIP3 H125644 -1.245 -0.226 -2.073 + 6445TIP3 H225645 -1.228 -0.233 -1.923 + 6446TIP3 OH225646 -1.490 0.945 -2.137 + 6446TIP3 H125647 -1.566 1.003 -2.118 + 6446TIP3 H225648 -1.433 0.999 -2.191 + 6447TIP3 OH225649 -1.759 1.054 -2.130 + 6447TIP3 H125650 -1.772 1.137 -2.180 + 6447TIP3 H225651 -1.774 1.082 -2.037 + 6448TIP3 OH225652 -1.892 -0.259 -2.164 + 6448TIP3 H125653 -1.888 -0.174 -2.118 + 6448TIP3 H225654 -1.817 -0.306 -2.124 + 6449TIP3 OH225655 -2.039 0.804 -2.271 + 6449TIP3 H125656 -1.969 0.860 -2.236 + 6449TIP3 H225657 -1.988 0.748 -2.331 + 6450TIP3 OH225658 -2.233 0.029 -2.361 + 6450TIP3 H125659 -2.227 0.121 -2.331 + 6450TIP3 H225660 -2.324 0.024 -2.393 + 6451TIP3 OH225661 -2.247 0.886 -1.855 + 6451TIP3 H125662 -2.331 0.929 -1.841 + 6451TIP3 H225663 -2.212 0.935 -1.930 + 6452TIP3 OH225664 -1.443 1.036 -2.453 + 6452TIP3 H125665 -1.513 0.967 -2.443 + 6452TIP3 H225666 -1.369 0.977 -2.480 + 6453TIP3 OH225667 -0.975 0.993 -2.401 + 6453TIP3 H125668 -0.960 0.914 -2.347 + 6453TIP3 H225669 -0.894 0.994 -2.456 + 6454TIP3 OH225670 -1.896 0.576 -2.417 + 6454TIP3 H125671 -1.875 0.509 -2.349 + 6454TIP3 H225672 -1.813 0.573 -2.469 + 6455TIP3 OH225673 -1.374 0.715 -2.457 + 6455TIP3 H125674 -1.380 0.706 -2.360 + 6455TIP3 H225675 -1.377 0.621 -2.483 + 6456TIP3 OH225676 -1.788 0.400 -2.188 + 6456TIP3 H125677 -1.830 0.344 -2.121 + 6456TIP3 H225678 -1.744 0.332 -2.243 + 6457TIP3 OH225679 -1.686 0.197 -2.364 + 6457TIP3 H125680 -1.693 0.196 -2.461 + 6457TIP3 H225681 -1.589 0.189 -2.351 + 6458TIP3 OH225682 -0.747 0.428 -2.410 + 6458TIP3 H125683 -0.727 0.376 -2.489 + 6458TIP3 H225684 -0.728 0.518 -2.439 + 6459TIP3 OH225685 -1.569 0.335 -1.099 + 6459TIP3 H125686 -1.486 0.305 -1.137 + 6459TIP3 H225687 -1.635 0.304 -1.162 + 6460TIP3 OH225688 -1.674 -0.516 -0.840 + 6460TIP3 H125689 -1.693 -0.451 -0.910 + 6460TIP3 H225690 -1.625 -0.582 -0.890 + 6461TIP3 OH225691 -1.648 -0.426 -0.581 + 6461TIP3 H125692 -1.641 -0.460 -0.672 + 6461TIP3 H225693 -1.660 -0.332 -0.590 + 6462TIP3 OH225694 -1.714 1.325 -2.280 + 6462TIP3 H125695 -1.619 1.332 -2.266 + 6462TIP3 H225696 -1.732 1.382 -2.355 + 6463TIP3 OH225697 -2.321 0.752 -2.310 + 6463TIP3 H125698 -2.226 0.766 -2.294 + 6463TIP3 H225699 -2.322 0.673 -2.368 + 6464TIP3 OH225700 -2.412 1.272 -1.829 + 6464TIP3 H125701 -2.485 1.233 -1.882 + 6464TIP3 H225702 -2.401 1.205 -1.759 + 6465TIP3 OH225703 -2.362 1.087 -1.619 + 6465TIP3 H125704 -2.389 0.995 -1.598 + 6465TIP3 H225705 -2.384 1.128 -1.533 + 6466TIP3 OH225706 -0.636 1.191 -1.351 + 6466TIP3 H125707 -0.652 1.189 -1.256 + 6466TIP3 H225708 -0.571 1.261 -1.360 + 6467TIP3 OH225709 -0.794 0.075 -2.343 + 6467TIP3 H125710 -0.761 0.129 -2.416 + 6467TIP3 H225711 -0.804 -0.013 -2.384 + 6468TIP3 OH225712 -2.338 0.425 -1.410 + 6468TIP3 H125713 -2.324 0.371 -1.489 + 6468TIP3 H225714 -2.274 0.383 -1.349 + 6469TIP3 OH225715 -0.854 -0.189 -2.445 + 6469TIP3 H125716 -0.790 -0.234 -2.385 + 6469TIP3 H225717 -0.933 -0.245 -2.440 + 6470TIP3 OH225718 -0.818 -0.313 -1.928 + 6470TIP3 H125719 -0.817 -0.345 -1.837 + 6470TIP3 H225720 -0.900 -0.351 -1.962 + 6471TIP3 OH225721 -0.635 -0.291 -2.301 + 6471TIP3 H125722 -0.594 -0.376 -2.322 + 6471TIP3 H225723 -0.562 -0.244 -2.257 + 6472TIP3 OH225724 -0.945 1.214 -1.757 + 6472TIP3 H125725 -0.895 1.180 -1.834 + 6472TIP3 H225726 -0.873 1.235 -1.696 + 6473TIP3 OH225727 -1.449 1.246 -1.273 + 6473TIP3 H125728 -1.499 1.301 -1.335 + 6473TIP3 H225729 -1.443 1.299 -1.193 + 6474TIP3 OH225730 -2.309 -0.507 -2.176 + 6474TIP3 H125731 -2.250 -0.445 -2.222 + 6474TIP3 H225732 -2.349 -0.448 -2.110 + 6475TIP3 OH225733 -1.053 -0.477 -2.049 + 6475TIP3 H125734 -1.135 -0.425 -2.045 + 6475TIP3 H225735 -1.085 -0.564 -2.020 + 6476TIP3 OH225736 -2.273 1.075 -2.065 + 6476TIP3 H125737 -2.339 1.062 -2.135 + 6476TIP3 H225738 -2.280 1.171 -2.053 + 6477TIP3 OH225739 -2.116 -0.331 -2.325 + 6477TIP3 H125740 -2.056 -0.389 -2.375 + 6477TIP3 H225741 -2.058 -0.303 -2.251 + 6478TIP3 OH225742 -1.604 -0.290 -2.066 + 6478TIP3 H125743 -1.595 -0.363 -2.003 + 6478TIP3 H225744 -1.606 -0.214 -2.008 + 6479TIP3 OH225745 -1.405 1.263 -2.304 + 6479TIP3 H125746 -1.314 1.256 -2.266 + 6479TIP3 H225747 -1.425 1.169 -2.319 + 6480TIP3 OH225748 -0.757 1.163 -1.991 + 6480TIP3 H125749 -0.778 1.077 -2.033 + 6480TIP3 H225750 -0.756 1.222 -2.068 + 6481TIP3 OH225751 -2.127 1.178 -2.383 + 6481TIP3 H125752 -2.161 1.197 -2.295 + 6481TIP3 H225753 -2.060 1.111 -2.366 + 6482TIP3 OH225754 -0.458 0.671 -2.024 + 6482TIP3 H125755 -0.477 0.693 -2.116 + 6482TIP3 H225756 -0.447 0.757 -1.983 + 6483TIP3 OH225757 0.748 1.008 -1.700 + 6483TIP3 H125758 0.796 0.929 -1.729 + 6483TIP3 H225759 0.799 1.081 -1.737 + 6484TIP3 OH225760 0.881 0.777 -1.842 + 6484TIP3 H125761 0.823 0.716 -1.890 + 6484TIP3 H225762 0.886 0.738 -1.753 + 6485TIP3 OH225763 0.447 0.324 -2.026 + 6485TIP3 H125764 0.410 0.412 -2.005 + 6485TIP3 H225765 0.541 0.339 -2.021 + 6486TIP3 OH225766 0.769 0.421 -1.924 + 6486TIP3 H125767 0.700 0.412 -1.856 + 6486TIP3 H225768 0.822 0.343 -1.907 + 6487TIP3 OH225769 0.703 0.267 -2.207 + 6487TIP3 H125770 0.716 0.296 -2.117 + 6487TIP3 H225771 0.750 0.336 -2.259 + 6488TIP3 OH225772 0.486 0.976 -1.824 + 6488TIP3 H125773 0.520 0.968 -1.735 + 6488TIP3 H225774 0.419 1.045 -1.820 + 6489TIP3 OH225775 1.204 0.890 -2.358 + 6489TIP3 H125776 1.225 0.983 -2.334 + 6489TIP3 H225777 1.288 0.846 -2.338 + 6490TIP3 OH225778 0.402 1.239 -1.958 + 6490TIP3 H125779 0.422 1.239 -2.053 + 6490TIP3 H225780 0.427 1.329 -1.930 + 6491TIP3 OH225781 0.746 1.194 -2.285 + 6491TIP3 H125782 0.802 1.122 -2.320 + 6491TIP3 H225783 0.750 1.175 -2.190 + 6492TIP3 OH225784 0.689 1.131 -1.979 + 6492TIP3 H125785 0.594 1.130 -1.956 + 6492TIP3 H225786 0.715 1.054 -1.927 + 6493TIP3 OH225787 0.877 0.425 -2.359 + 6493TIP3 H125788 0.861 0.394 -2.450 + 6493TIP3 H225789 0.974 0.428 -2.356 + 6494TIP3 OH225790 -0.440 -0.119 -2.149 + 6494TIP3 H125791 -0.378 -0.070 -2.206 + 6494TIP3 H225792 -0.497 -0.048 -2.116 + 6495TIP3 OH225793 0.273 0.545 -2.057 + 6495TIP3 H125794 0.203 0.479 -2.062 + 6495TIP3 H225795 0.284 0.558 -1.961 + 6496TIP3 OH225796 0.714 -0.162 -2.287 + 6496TIP3 H125797 0.621 -0.173 -2.262 + 6496TIP3 H225798 0.740 -0.091 -2.226 + 6497TIP3 OH225799 0.822 0.032 -2.055 + 6497TIP3 H125800 0.911 0.016 -2.085 + 6497TIP3 H225801 0.784 0.093 -2.119 + 6498TIP3 OH225802 0.534 0.698 -2.181 + 6498TIP3 H125803 0.514 0.774 -2.124 + 6498TIP3 H225804 0.477 0.631 -2.139 + 6499TIP3 OH225805 1.061 0.891 -2.095 + 6499TIP3 H125806 1.014 0.812 -2.061 + 6499TIP3 H225807 1.106 0.855 -2.173 + 6500TIP3 OH225808 -0.375 0.328 -2.312 + 6500TIP3 H125809 -0.310 0.365 -2.250 + 6500TIP3 H225810 -0.455 0.332 -2.255 + 6501TIP3 OH225811 0.035 1.101 -1.824 + 6501TIP3 H125812 -0.031 1.158 -1.863 + 6501TIP3 H225813 0.105 1.165 -1.800 + 6502TIP3 OH225814 0.801 0.737 -2.312 + 6502TIP3 H125815 0.848 0.681 -2.248 + 6502TIP3 H225816 0.709 0.717 -2.286 + 6503TIP3 OH225817 1.291 1.147 -2.268 + 6503TIP3 H125818 1.359 1.214 -2.289 + 6503TIP3 H225819 1.213 1.206 -2.265 + 6504TIP3 OH225820 0.966 0.600 -2.080 + 6504TIP3 H125821 0.898 0.542 -2.044 + 6504TIP3 H225822 1.045 0.571 -2.032 + 6505TIP3 OH225823 0.225 0.831 -2.465 + 6505TIP3 H125824 0.253 0.750 -2.512 + 6505TIP3 H225825 0.189 0.793 -2.383 + 6506TIP3 OH225826 0.119 0.784 -2.188 + 6506TIP3 H125827 0.168 0.726 -2.127 + 6506TIP3 H225828 0.134 0.872 -2.150 + 6507TIP3 OH225829 -0.196 0.521 -2.126 + 6507TIP3 H125830 -0.281 0.542 -2.086 + 6507TIP3 H225831 -0.172 0.599 -2.177 + 6508TIP3 OH225832 0.406 0.958 -2.132 + 6508TIP3 H125833 0.322 1.002 -2.116 + 6508TIP3 H225834 0.441 1.001 -2.211 + 6509TIP3 OH225835 0.116 1.057 -2.123 + 6509TIP3 H125836 0.116 1.139 -2.176 + 6509TIP3 H225837 0.118 1.090 -2.032 + 6510TIP3 OH225838 -0.160 0.804 -2.272 + 6510TIP3 H125839 -0.086 0.854 -2.232 + 6510TIP3 H225840 -0.108 0.749 -2.333 + 6511TIP3 OH225841 -0.343 0.037 -2.364 + 6511TIP3 H125842 -0.337 0.131 -2.339 + 6511TIP3 H225843 -0.433 0.029 -2.397 + 6512TIP3 OH225844 0.446 1.007 -2.425 + 6512TIP3 H125845 0.370 0.944 -2.425 + 6512TIP3 H225846 0.517 0.946 -2.448 + 6513TIP3 OH225847 0.915 0.994 -2.412 + 6513TIP3 H125848 0.919 0.915 -2.355 + 6513TIP3 H225849 1.001 0.991 -2.457 + 6514TIP3 OH225850 -0.010 0.570 -2.424 + 6514TIP3 H125851 0.003 0.496 -2.364 + 6514TIP3 H225852 0.076 0.572 -2.470 + 6515TIP3 OH225853 0.515 0.710 -2.464 + 6515TIP3 H125854 0.509 0.703 -2.366 + 6515TIP3 H225855 0.509 0.614 -2.486 + 6516TIP3 OH225856 1.154 0.429 -2.410 + 6516TIP3 H125857 1.157 0.378 -2.492 + 6516TIP3 H225858 1.154 0.521 -2.441 + 6517TIP3 OH225859 0.172 1.312 -2.258 + 6517TIP3 H125860 0.268 1.322 -2.247 + 6517TIP3 H225861 0.159 1.360 -2.341 + 6518TIP3 OH225862 -0.438 0.750 -2.308 + 6518TIP3 H125863 -0.342 0.767 -2.293 + 6518TIP3 H225864 -0.435 0.671 -2.367 + 6519TIP3 OH225865 -0.535 1.266 -1.820 + 6519TIP3 H125866 -0.606 1.231 -1.877 + 6519TIP3 H225867 -0.522 1.192 -1.757 + 6520TIP3 OH225868 -0.467 1.062 -1.617 + 6520TIP3 H125869 -0.521 0.981 -1.610 + 6520TIP3 H225870 -0.477 1.095 -1.527 + 6521TIP3 OH225871 1.063 0.082 -2.376 + 6521TIP3 H125872 1.115 0.133 -2.438 + 6521TIP3 H225873 1.069 -0.009 -2.411 + 6522TIP3 OH225874 1.046 -0.207 -2.427 + 6522TIP3 H125875 1.088 -0.267 -2.365 + 6522TIP3 H225876 0.958 -0.245 -2.439 + 6523TIP3 OH225877 -0.538 -0.348 -2.005 + 6523TIP3 H125878 -0.622 -0.309 -1.974 + 6523TIP3 H225879 -0.485 -0.271 -2.030 + 6524TIP3 OH225880 0.938 1.229 -1.814 + 6524TIP3 H125881 1.008 1.197 -1.874 + 6524TIP3 H225882 0.974 1.211 -1.727 + 6525TIP3 OH225883 0.928 1.313 -1.143 + 6525TIP3 H125884 0.915 1.402 -1.179 + 6525TIP3 H225885 0.901 1.252 -1.213 + 6526TIP3 OH225886 0.872 -0.489 -2.033 + 6526TIP3 H125887 0.799 -0.427 -2.047 + 6526TIP3 H225888 0.831 -0.572 -2.063 + 6527TIP3 OH225889 -0.387 1.061 -2.042 + 6527TIP3 H125890 -0.446 1.042 -2.116 + 6527TIP3 H225891 -0.396 1.157 -2.036 + 6528TIP3 OH225892 -0.227 -0.329 -2.322 + 6528TIP3 H125893 -0.171 -0.399 -2.356 + 6528TIP3 H225894 -0.172 -0.285 -2.257 + 6529TIP3 OH225895 0.473 1.259 -2.257 + 6529TIP3 H125896 0.570 1.258 -2.264 + 6529TIP3 H225897 0.451 1.189 -2.320 + 6530TIP3 OH225898 1.145 1.157 -1.987 + 6530TIP3 H125899 1.117 1.073 -2.030 + 6530TIP3 H225900 1.131 1.221 -2.059 + 6531TIP3 OH225901 -0.249 1.170 -2.382 + 6531TIP3 H125902 -0.269 1.199 -2.292 + 6531TIP3 H225903 -0.172 1.112 -2.369 + 6532TIP3 OH225904 2.496 0.402 -1.742 + 6532TIP3 H125905 2.495 0.498 -1.727 + 6532TIP3 H225906 2.422 0.391 -1.804 + 6533TIP3 OH225907 2.388 0.341 -1.426 + 6533TIP3 H125908 2.375 0.287 -1.347 + 6533TIP3 H225909 2.357 0.281 -1.496 + 6534TIP3 OH225910 2.749 0.625 -1.601 + 6534TIP3 H125911 2.714 0.552 -1.549 + 6534TIP3 H225912 2.778 0.685 -1.530 + 6535TIP3 OH225913 2.455 1.157 -1.551 + 6535TIP3 H125914 2.515 1.084 -1.576 + 6535TIP3 H225915 2.426 1.129 -1.463 + 6536TIP3 OH225916 2.225 0.595 -1.392 + 6536TIP3 H125917 2.273 0.517 -1.424 + 6536TIP3 H225918 2.277 0.615 -1.313 + 6537TIP3 OH225919 3.097 -0.243 -1.317 + 6537TIP3 H125920 3.118 -0.187 -1.241 + 6537TIP3 H225921 3.165 -0.218 -1.381 + 6538TIP3 OH225922 2.556 0.033 -1.325 + 6538TIP3 H125923 2.571 -0.064 -1.323 + 6538TIP3 H225924 2.543 0.048 -1.420 + 6539TIP3 OH225925 2.643 -0.149 -1.788 + 6539TIP3 H125926 2.698 -0.191 -1.718 + 6539TIP3 H225927 2.711 -0.103 -1.839 + 6540TIP3 OH225928 3.164 -0.094 -1.041 + 6540TIP3 H125929 3.097 -0.032 -1.074 + 6540TIP3 H225930 3.119 -0.128 -0.962 + 6541TIP3 OH225931 2.485 0.688 -1.863 + 6541TIP3 H125932 2.459 0.667 -1.953 + 6541TIP3 H225933 2.444 0.775 -1.847 + 6542TIP3 OH225934 2.825 -0.221 -1.582 + 6542TIP3 H125935 2.791 -0.290 -1.523 + 6542TIP3 H225936 2.877 -0.166 -1.520 + 6543TIP3 OH225937 1.839 0.707 -1.109 + 6543TIP3 H125938 1.820 0.794 -1.146 + 6543TIP3 H225939 1.757 0.681 -1.066 + 6544TIP3 OH225940 1.455 0.676 -2.019 + 6544TIP3 H125941 1.410 0.688 -2.103 + 6544TIP3 H225942 1.446 0.762 -1.977 + 6545TIP3 OH225943 2.808 0.807 -1.352 + 6545TIP3 H125944 2.711 0.813 -1.346 + 6545TIP3 H225945 2.830 0.895 -1.387 + 6546TIP3 OH225946 2.835 -0.279 -1.192 + 6546TIP3 H125947 2.756 -0.271 -1.249 + 6546TIP3 H225948 2.906 -0.292 -1.257 + 6547TIP3 OH225949 2.141 -0.528 -1.496 + 6547TIP3 H125950 2.136 -0.625 -1.496 + 6547TIP3 H225951 2.062 -0.505 -1.444 + 6548TIP3 OH225952 2.636 0.997 -1.701 + 6548TIP3 H125953 2.686 0.917 -1.726 + 6548TIP3 H225954 2.705 1.065 -1.706 + 6549TIP3 OH225955 2.782 0.783 -1.835 + 6549TIP3 H125956 2.731 0.734 -1.901 + 6549TIP3 H225957 2.777 0.721 -1.759 + 6550TIP3 OH225958 2.971 0.663 -0.994 + 6550TIP3 H125959 2.934 0.590 -1.047 + 6550TIP3 H225960 2.933 0.740 -1.038 + 6551TIP3 OH225961 2.362 0.365 -2.012 + 6551TIP3 H125962 2.293 0.405 -2.068 + 6551TIP3 H225963 2.436 0.358 -2.075 + 6552TIP3 OH225964 2.390 0.181 -2.313 + 6552TIP3 H125965 2.461 0.207 -2.251 + 6552TIP3 H225966 2.438 0.116 -2.368 + 6553TIP3 OH225967 2.713 0.357 -1.907 + 6553TIP3 H125968 2.645 0.376 -1.839 + 6553TIP3 H225969 2.774 0.300 -1.856 + 6554TIP3 OH225970 2.011 0.780 -1.489 + 6554TIP3 H125971 2.010 0.692 -1.526 + 6554TIP3 H225972 2.060 0.758 -1.407 + 6555TIP3 OH225973 2.525 0.865 -1.329 + 6555TIP3 H125974 2.533 0.934 -1.261 + 6555TIP3 H225975 2.503 0.785 -1.278 + 6556TIP3 OH225976 2.605 0.305 -2.161 + 6556TIP3 H125977 2.654 0.328 -2.080 + 6556TIP3 H225978 2.657 0.355 -2.229 + 6557TIP3 OH225979 2.350 0.962 -1.808 + 6557TIP3 H125980 2.401 0.983 -1.728 + 6557TIP3 H225981 2.308 1.047 -1.828 + 6558TIP3 OH225982 2.951 -0.525 -2.214 + 6558TIP3 H125983 2.863 -0.515 -2.173 + 6558TIP3 H225984 2.986 -0.435 -2.206 + 6559TIP3 OH225985 3.090 0.889 -2.360 + 6559TIP3 H125986 3.106 0.982 -2.335 + 6559TIP3 H225987 3.176 0.848 -2.341 + 6560TIP3 OH225988 2.300 1.231 -1.960 + 6560TIP3 H125989 2.311 1.246 -2.056 + 6560TIP3 H225990 2.308 1.321 -1.923 + 6561TIP3 OH225991 1.680 1.100 -1.803 + 6561TIP3 H125992 1.687 1.079 -1.707 + 6561TIP3 H225993 1.589 1.077 -1.824 + 6562TIP3 OH225994 2.637 1.175 -2.240 + 6562TIP3 H125995 2.696 1.110 -2.283 + 6562TIP3 H225996 2.633 1.140 -2.149 + 6563TIP3 OH225997 2.577 1.118 -1.960 + 6563TIP3 H125998 2.483 1.130 -1.940 + 6563TIP3 H225999 2.599 1.050 -1.894 + 6564TIP3 OH226000 1.892 -0.443 -1.361 + 6564TIP3 H126001 1.813 -0.463 -1.414 + 6564TIP3 H226002 1.879 -0.350 -1.339 + 6565TIP3 OH226003 2.763 0.412 -2.361 + 6565TIP3 H126004 2.742 0.391 -2.454 + 6565TIP3 H226005 2.858 0.433 -2.368 + 6566TIP3 OH226006 2.327 -0.213 -2.312 + 6566TIP3 H126007 2.278 -0.228 -2.229 + 6566TIP3 H226008 2.286 -0.282 -2.368 + 6567TIP3 OH226009 2.440 0.115 -1.898 + 6567TIP3 H126010 2.402 0.197 -1.933 + 6567TIP3 H226011 2.511 0.096 -1.961 + 6568TIP3 OH226012 2.524 0.063 -1.613 + 6568TIP3 H126013 2.497 0.118 -1.690 + 6568TIP3 H226014 2.545 -0.020 -1.660 + 6569TIP3 OH226015 1.971 -0.187 -2.419 + 6569TIP3 H126016 1.935 -0.211 -2.332 + 6569TIP3 H226017 1.893 -0.157 -2.466 + 6570TIP3 OH226018 2.467 0.238 -1.143 + 6570TIP3 H126019 2.516 0.168 -1.191 + 6570TIP3 H226020 2.458 0.204 -1.054 + 6571TIP3 OH226021 2.598 -0.259 -1.365 + 6571TIP3 H126022 2.535 -0.270 -1.290 + 6571TIP3 H226023 2.544 -0.294 -1.438 + 6572TIP3 OH226024 1.850 0.091 -2.257 + 6572TIP3 H126025 1.789 0.065 -2.327 + 6572TIP3 H226026 1.934 0.106 -2.305 + 6573TIP3 OH226027 2.897 1.297 -0.697 + 6573TIP3 H126028 2.903 1.339 -0.783 + 6573TIP3 H226029 2.963 1.342 -0.644 + 6574TIP3 OH226030 2.246 0.071 -1.473 + 6574TIP3 H126031 2.319 0.034 -1.523 + 6574TIP3 H226032 2.249 0.022 -1.390 + 6575TIP3 OH226033 2.162 0.570 -2.075 + 6575TIP3 H126034 2.093 0.507 -2.106 + 6575TIP3 H226035 2.156 0.557 -1.978 + 6576TIP3 OH226036 2.913 0.444 -1.186 + 6576TIP3 H126037 2.975 0.489 -1.246 + 6576TIP3 H226038 2.830 0.447 -1.237 + 6577TIP3 OH226039 2.595 -0.152 -2.299 + 6577TIP3 H126040 2.497 -0.159 -2.299 + 6577TIP3 H226041 2.614 -0.083 -2.233 + 6578TIP3 OH226042 2.663 0.028 -2.093 + 6578TIP3 H126043 2.749 0.010 -2.051 + 6578TIP3 H226044 2.678 0.115 -2.134 + 6579TIP3 OH226045 2.419 0.699 -2.185 + 6579TIP3 H126046 2.391 0.783 -2.144 + 6579TIP3 H226047 2.349 0.639 -2.155 + 6580TIP3 OH226048 2.584 0.835 -1.028 + 6580TIP3 H126049 2.489 0.833 -1.040 + 6580TIP3 H226050 2.595 0.833 -0.933 + 6581TIP3 OH226051 3.122 0.024 -2.119 + 6581TIP3 H126052 3.066 0.006 -2.196 + 6581TIP3 H226053 3.135 0.120 -2.131 + 6582TIP3 OH226054 2.941 0.888 -2.110 + 6582TIP3 H126055 2.918 0.812 -2.054 + 6582TIP3 H226056 2.998 0.849 -2.178 + 6583TIP3 OH226057 2.672 0.426 -1.367 + 6583TIP3 H126058 2.578 0.408 -1.382 + 6583TIP3 H226059 2.713 0.351 -1.415 + 6584TIP3 OH226060 1.491 0.314 -2.296 + 6584TIP3 H126061 1.561 0.365 -2.254 + 6584TIP3 H226062 1.411 0.355 -2.262 + 6585TIP3 OH226063 2.067 0.600 -1.805 + 6585TIP3 H126064 2.089 0.680 -1.757 + 6585TIP3 H226065 2.012 0.550 -1.744 + 6586TIP3 OH226066 2.135 1.040 -1.186 + 6586TIP3 H126067 2.201 1.109 -1.205 + 6586TIP3 H226068 2.186 0.971 -1.141 + 6587TIP3 OH226069 1.957 1.085 -1.848 + 6587TIP3 H126070 1.869 1.120 -1.821 + 6587TIP3 H226071 2.015 1.155 -1.811 + 6588TIP3 OH226072 2.477 0.592 -1.186 + 6588TIP3 H126073 2.453 0.565 -1.096 + 6588TIP3 H226074 2.544 0.526 -1.208 + 6589TIP3 OH226075 2.687 0.732 -2.319 + 6589TIP3 H126076 2.731 0.684 -2.246 + 6589TIP3 H226077 2.595 0.715 -2.294 + 6590TIP3 OH226078 3.162 1.155 -2.267 + 6590TIP3 H126079 3.232 1.220 -2.288 + 6590TIP3 H226080 3.086 1.215 -2.266 + 6591TIP3 OH226081 2.784 0.592 -2.081 + 6591TIP3 H126082 2.757 0.519 -2.023 + 6591TIP3 H226083 2.881 0.588 -2.072 + 6592TIP3 OH226084 2.112 0.835 -2.462 + 6592TIP3 H126085 2.143 0.761 -2.519 + 6592TIP3 H226086 2.069 0.785 -2.392 + 6593TIP3 OH226087 1.982 0.790 -2.134 + 6593TIP3 H126088 2.055 0.725 -2.134 + 6593TIP3 H226089 2.027 0.873 -2.158 + 6594TIP3 OH226090 1.696 0.539 -2.102 + 6594TIP3 H126091 1.603 0.558 -2.085 + 6594TIP3 H226092 1.717 0.591 -2.180 + 6595TIP3 OH226093 2.437 -0.244 -1.139 + 6595TIP3 H126094 2.497 -0.217 -1.069 + 6595TIP3 H226095 2.404 -0.329 -1.104 + 6596TIP3 OH226096 2.510 -0.276 -2.020 + 6596TIP3 H126097 2.530 -0.223 -2.099 + 6596TIP3 H226098 2.556 -0.227 -1.950 + 6597TIP3 OH226099 2.280 0.944 -2.133 + 6597TIP3 H126100 2.211 1.008 -2.110 + 6597TIP3 H226101 2.331 0.993 -2.199 + 6598TIP3 OH226102 2.224 -0.088 -1.927 + 6598TIP3 H126103 2.298 -0.026 -1.916 + 6598TIP3 H226104 2.179 -0.084 -1.841 + 6599TIP3 OH226105 2.305 -0.372 -1.833 + 6599TIP3 H126106 2.304 -0.312 -1.757 + 6599TIP3 H226107 2.376 -0.331 -1.887 + 6600TIP3 OH226108 2.007 1.061 -2.122 + 6600TIP3 H126109 2.003 1.138 -2.183 + 6600TIP3 H226110 2.001 1.106 -2.035 + 6601TIP3 OH226111 1.873 -0.254 -2.163 + 6601TIP3 H126112 1.873 -0.172 -2.111 + 6601TIP3 H226113 1.947 -0.302 -2.123 + 6602TIP3 OH226114 2.900 -0.185 -0.917 + 6602TIP3 H126115 2.809 -0.153 -0.918 + 6602TIP3 H226116 2.908 -0.221 -1.008 + 6603TIP3 OH226117 2.766 0.195 -1.526 + 6603TIP3 H126118 2.681 0.153 -1.546 + 6603TIP3 H226119 2.812 0.126 -1.475 + 6604TIP3 OH226120 1.722 0.807 -2.276 + 6604TIP3 H126121 1.797 0.856 -2.238 + 6604TIP3 H226122 1.769 0.752 -2.340 + 6605TIP3 OH226123 1.543 0.030 -2.375 + 6605TIP3 H126124 1.549 0.100 -2.308 + 6605TIP3 H226125 1.450 0.007 -2.373 + 6606TIP3 OH226126 2.871 1.083 -1.384 + 6606TIP3 H126127 2.852 1.166 -1.431 + 6606TIP3 H226128 2.963 1.099 -1.357 + 6607TIP3 OH226129 1.621 -0.518 -1.499 + 6607TIP3 H126130 1.591 -0.513 -1.591 + 6607TIP3 H226131 1.570 -0.592 -1.463 + 6608TIP3 OH226132 2.335 1.006 -2.415 + 6608TIP3 H126133 2.261 0.942 -2.424 + 6608TIP3 H226134 2.408 0.952 -2.451 + 6609TIP3 OH226135 2.797 0.997 -2.403 + 6609TIP3 H126136 2.811 0.916 -2.350 + 6609TIP3 H226137 2.878 0.998 -2.458 + 6610TIP3 OH226138 1.878 0.579 -2.419 + 6610TIP3 H126139 1.895 0.508 -2.355 + 6610TIP3 H226140 1.958 0.571 -2.475 + 6611TIP3 OH226141 2.397 0.711 -2.467 + 6611TIP3 H126142 2.399 0.705 -2.370 + 6611TIP3 H226143 2.396 0.615 -2.490 + 6612TIP3 OH226144 1.981 0.378 -2.184 + 6612TIP3 H126145 1.918 0.323 -2.135 + 6612TIP3 H226146 2.011 0.312 -2.251 + 6613TIP3 OH226147 2.087 0.199 -2.373 + 6613TIP3 H126148 2.082 0.200 -2.470 + 6613TIP3 H226149 2.182 0.187 -2.357 + 6614TIP3 OH226150 3.032 0.440 -2.437 + 6614TIP3 H126151 3.023 0.396 -2.523 + 6614TIP3 H226152 3.021 0.534 -2.464 + 6615TIP3 OH226153 2.059 1.306 -2.260 + 6615TIP3 H126154 2.153 1.323 -2.248 + 6615TIP3 H226155 2.042 1.357 -2.341 + 6616TIP3 OH226156 1.444 0.748 -2.306 + 6616TIP3 H126157 1.539 0.769 -2.288 + 6616TIP3 H226158 1.450 0.671 -2.365 + 6617TIP3 OH226159 1.349 1.259 -1.798 + 6617TIP3 H126160 1.286 1.230 -1.867 + 6617TIP3 H226161 1.341 1.191 -1.732 + 6618TIP3 OH226162 3.145 1.190 -1.332 + 6618TIP3 H126163 3.152 1.202 -1.236 + 6618TIP3 H226164 3.224 1.233 -1.364 + 6619TIP3 OH226165 3.139 1.132 -1.045 + 6619TIP3 H126166 3.070 1.066 -1.069 + 6619TIP3 H226167 3.179 1.094 -0.966 + 6620TIP3 OH226168 3.071 0.578 -2.043 + 6620TIP3 H126169 3.162 0.608 -2.026 + 6620TIP3 H226170 3.061 0.513 -1.971 + 6621TIP3 OH226171 3.117 0.373 -1.846 + 6621TIP3 H126172 3.049 0.317 -1.803 + 6621TIP3 H226173 3.184 0.384 -1.776 + 6622TIP3 OH226174 3.095 0.632 -1.333 + 6622TIP3 H126175 3.154 0.566 -1.375 + 6622TIP3 H226176 3.115 0.713 -1.383 + 6623TIP3 OH226177 2.940 0.921 -1.107 + 6623TIP3 H126178 2.857 0.954 -1.071 + 6623TIP3 H226179 2.908 0.881 -1.191 + 6624TIP3 OH226180 3.144 0.318 -2.189 + 6624TIP3 H126181 3.092 0.347 -2.266 + 6624TIP3 H226182 3.130 0.391 -2.127 + 6625TIP3 OH226183 2.967 0.075 -2.363 + 6625TIP3 H126184 2.996 0.131 -2.436 + 6625TIP3 H226185 2.945 -0.009 -2.408 + 6626TIP3 OH226186 2.908 0.186 -1.766 + 6626TIP3 H126187 2.903 0.090 -1.779 + 6626TIP3 H226188 2.870 0.196 -1.676 + 6627TIP3 OH226189 2.917 -0.191 -2.441 + 6627TIP3 H126190 2.975 -0.242 -2.382 + 6627TIP3 H226191 2.836 -0.245 -2.445 + 6628TIP3 OH226192 2.897 -0.065 -1.948 + 6628TIP3 H126193 2.920 -0.160 -1.940 + 6628TIP3 H226194 2.979 -0.030 -1.987 + 6629TIP3 OH226195 2.917 0.003 -1.395 + 6629TIP3 H126196 3.014 0.011 -1.395 + 6629TIP3 H226197 2.899 0.006 -1.300 + 6630TIP3 OH226198 2.930 0.111 -1.117 + 6630TIP3 H126199 2.845 0.125 -1.074 + 6630TIP3 H226200 2.953 0.200 -1.146 + 6631TIP3 OH226201 2.944 -0.345 -1.949 + 6631TIP3 H126202 2.957 -0.378 -1.859 + 6631TIP3 H226203 2.864 -0.394 -1.977 + 6632TIP3 OH226204 3.141 -0.294 -2.285 + 6632TIP3 H126205 3.173 -0.376 -2.326 + 6632TIP3 H226206 3.223 -0.244 -2.272 + 6633TIP3 OH226207 2.827 1.205 -1.755 + 6633TIP3 H126208 2.877 1.178 -1.834 + 6633TIP3 H226209 2.896 1.242 -1.699 + 6634TIP3 OH226210 1.871 0.981 -1.046 + 6634TIP3 H126211 1.925 0.903 -1.028 + 6634TIP3 H226212 1.932 1.043 -1.088 + 6635TIP3 OH226213 3.020 -0.487 -0.969 + 6635TIP3 H126214 2.935 -0.467 -1.011 + 6635TIP3 H226215 3.033 -0.578 -1.000 + 6636TIP3 OH226216 1.615 1.328 -1.047 + 6636TIP3 H126217 1.541 1.347 -1.108 + 6636TIP3 H226218 1.580 1.262 -0.986 + 6637TIP3 OH226219 1.877 1.247 -1.215 + 6637TIP3 H126220 1.810 1.264 -1.147 + 6637TIP3 H226221 1.866 1.323 -1.274 + 6638TIP3 OH226222 2.317 1.258 -1.268 + 6638TIP3 H126223 2.278 1.304 -1.344 + 6638TIP3 H226224 2.331 1.331 -1.205 + 6639TIP3 OH226225 2.547 1.113 -1.195 + 6639TIP3 H126226 2.464 1.160 -1.211 + 6639TIP3 H226227 2.602 1.181 -1.153 + 6640TIP3 OH226228 2.823 1.283 -1.142 + 6640TIP3 H126229 2.800 1.372 -1.171 + 6640TIP3 H226230 2.823 1.233 -1.225 + 6641TIP3 OH226231 1.773 1.028 -1.552 + 6641TIP3 H126232 1.748 0.952 -1.498 + 6641TIP3 H226233 1.854 1.057 -1.506 + 6642TIP3 OH226234 2.037 1.071 -1.459 + 6642TIP3 H126235 2.050 0.976 -1.478 + 6642TIP3 H226236 2.047 1.071 -1.361 + 6643TIP3 OH226237 2.359 -0.331 -1.533 + 6643TIP3 H126238 2.286 -0.393 -1.512 + 6643TIP3 H226239 2.420 -0.388 -1.583 + 6644TIP3 OH226240 2.856 -0.526 -1.474 + 6644TIP3 H126241 2.934 -0.494 -1.523 + 6644TIP3 H226242 2.782 -0.512 -1.535 + 6645TIP3 OH226243 3.060 -0.427 -1.694 + 6645TIP3 H126244 3.134 -0.472 -1.739 + 6645TIP3 H226245 3.095 -0.337 -1.680 + 6646TIP3 OH226246 1.583 -0.480 -1.775 + 6646TIP3 H126247 1.512 -0.505 -1.834 + 6646TIP3 H226248 1.655 -0.538 -1.804 + 6647TIP3 OH226249 1.459 -0.502 -2.162 + 6647TIP3 H126250 1.520 -0.456 -2.223 + 6647TIP3 H226251 1.423 -0.427 -2.113 + 6648TIP3 OH226252 2.045 -0.498 -1.776 + 6648TIP3 H126253 2.131 -0.456 -1.792 + 6648TIP3 H226254 2.044 -0.500 -1.679 + 6649TIP3 OH226255 2.597 -0.480 -1.640 + 6649TIP3 H126256 2.628 -0.505 -1.728 + 6649TIP3 H226257 2.562 -0.565 -1.607 + 6650TIP3 OH226258 2.711 -0.485 -2.046 + 6650TIP3 H126259 2.627 -0.435 -2.055 + 6650TIP3 H226260 2.677 -0.573 -2.023 + 6651TIP3 OH226261 1.482 1.057 -2.048 + 6651TIP3 H126262 1.422 1.050 -2.125 + 6651TIP3 H226263 1.493 1.152 -2.044 + 6652TIP3 OH226264 1.652 -0.337 -2.324 + 6652TIP3 H126265 1.717 -0.389 -2.374 + 6652TIP3 H226266 1.709 -0.299 -2.254 + 6653TIP3 OH226267 2.165 -0.314 -2.081 + 6653TIP3 H126268 2.188 -0.374 -2.009 + 6653TIP3 H226269 2.172 -0.228 -2.034 + 6654TIP3 OH226270 2.362 1.257 -2.251 + 6654TIP3 H126271 2.460 1.259 -2.256 + 6654TIP3 H226272 2.342 1.193 -2.321 + 6655TIP3 OH226273 3.012 1.160 -1.993 + 6655TIP3 H126274 2.989 1.075 -2.036 + 6655TIP3 H226275 3.009 1.220 -2.069 + 6656TIP3 OH226276 1.638 1.170 -2.383 + 6656TIP3 H126277 1.614 1.200 -2.294 + 6656TIP3 H226278 1.715 1.114 -2.368 + 6657TIP3 OH226279 4.207 0.326 -1.429 + 6657TIP3 H126280 4.288 0.338 -1.375 + 6657TIP3 H226281 4.244 0.305 -1.516 + 6658TIP3 OH226282 3.515 0.311 -1.260 + 6658TIP3 H126283 3.519 0.231 -1.204 + 6658TIP3 H226284 3.595 0.357 -1.233 + 6659TIP3 OH226285 3.583 0.773 -1.409 + 6659TIP3 H126286 3.558 0.682 -1.437 + 6659TIP3 H226287 3.679 0.759 -1.399 + 6660TIP3 OH226288 3.281 0.115 -1.882 + 6660TIP3 H126289 3.236 0.200 -1.870 + 6660TIP3 H226290 3.209 0.060 -1.915 + 6661TIP3 OH226291 3.357 0.358 -1.687 + 6661TIP3 H126292 3.371 0.275 -1.638 + 6661TIP3 H226293 3.439 0.365 -1.737 + 6662TIP3 OH226294 4.117 0.600 -1.367 + 6662TIP3 H126295 4.142 0.521 -1.419 + 6662TIP3 H226296 4.200 0.618 -1.321 + 6663TIP3 OH226297 3.744 -0.165 -1.618 + 6663TIP3 H126298 3.758 -0.080 -1.664 + 6663TIP3 H226299 3.709 -0.218 -1.692 + 6664TIP3 OH226300 3.412 0.109 -1.567 + 6664TIP3 H126301 3.472 0.058 -1.510 + 6664TIP3 H226302 3.418 0.058 -1.650 + 6665TIP3 OH226303 3.950 0.243 -1.619 + 6665TIP3 H126304 4.026 0.191 -1.585 + 6665TIP3 H226305 3.902 0.174 -1.668 + 6666TIP3 OH226306 3.625 -0.284 -1.201 + 6666TIP3 H126307 3.581 -0.238 -1.274 + 6666TIP3 H226308 3.557 -0.276 -1.131 + 6667TIP3 OH226309 3.908 0.508 -1.183 + 6667TIP3 H126310 3.830 0.564 -1.178 + 6667TIP3 H226311 3.975 0.565 -1.225 + 6668TIP3 OH226312 3.583 -0.080 -1.411 + 6668TIP3 H126313 3.649 -0.025 -1.364 + 6668TIP3 H226314 3.641 -0.120 -1.480 + 6669TIP3 OH226315 3.657 0.682 -1.100 + 6669TIP3 H126316 3.682 0.770 -1.133 + 6669TIP3 H226317 3.615 0.700 -1.015 + 6670TIP3 OH226318 3.348 0.660 -2.030 + 6670TIP3 H126319 3.326 0.710 -2.111 + 6670TIP3 H226320 3.364 0.729 -1.963 + 6671TIP3 OH226321 4.044 -0.540 -1.487 + 6671TIP3 H126322 4.016 -0.634 -1.490 + 6671TIP3 H226323 3.964 -0.497 -1.452 + 6672TIP3 OH226324 4.269 0.346 -2.024 + 6672TIP3 H126325 4.200 0.412 -2.037 + 6672TIP3 H226326 4.328 0.364 -2.097 + 6673TIP3 OH226327 4.291 0.194 -2.308 + 6673TIP3 H126328 4.361 0.184 -2.242 + 6673TIP3 H226329 4.293 0.111 -2.356 + 6674TIP3 OH226330 3.759 0.433 -1.731 + 6674TIP3 H126331 3.728 0.387 -1.811 + 6674TIP3 H226332 3.822 0.368 -1.694 + 6675TIP3 OH226333 3.895 0.768 -1.452 + 6675TIP3 H126334 3.888 0.730 -1.541 + 6675TIP3 H226335 3.977 0.725 -1.421 + 6676TIP3 OH226336 3.816 0.321 -1.382 + 6676TIP3 H126337 3.876 0.313 -1.458 + 6676TIP3 H226338 3.866 0.380 -1.322 + 6677TIP3 OH226339 3.905 0.755 -0.901 + 6677TIP3 H126340 3.854 0.814 -0.844 + 6677TIP3 H226341 3.840 0.724 -0.964 + 6678TIP3 OH226342 3.579 0.375 -0.966 + 6678TIP3 H126343 3.576 0.444 -0.899 + 6678TIP3 H226344 3.490 0.377 -1.004 + 6679TIP3 OH226345 4.251 0.958 -1.813 + 6679TIP3 H126346 4.299 1.005 -1.743 + 6679TIP3 H226347 4.199 1.029 -1.853 + 6680TIP3 OH226348 3.694 0.950 -0.816 + 6680TIP3 H126349 3.696 0.971 -0.911 + 6680TIP3 H226350 3.600 0.948 -0.794 + 6681TIP3 OH226351 3.650 0.309 -1.977 + 6681TIP3 H126352 3.628 0.383 -2.035 + 6681TIP3 H226353 3.585 0.242 -2.003 + 6682TIP3 OH226354 3.261 0.867 -1.416 + 6682TIP3 H126355 3.354 0.840 -1.410 + 6682TIP3 H226356 3.251 0.937 -1.350 + 6683TIP3 OH226357 4.172 0.855 -0.955 + 6683TIP3 H126358 4.182 0.939 -0.907 + 6683TIP3 H226359 4.085 0.822 -0.925 + 6684TIP3 OH226360 4.180 1.235 -1.960 + 6684TIP3 H126361 4.206 1.238 -2.053 + 6684TIP3 H226362 4.208 1.320 -1.924 + 6685TIP3 OH226363 3.572 1.149 -1.793 + 6685TIP3 H126364 3.589 1.102 -1.709 + 6685TIP3 H226365 3.491 1.105 -1.823 + 6686TIP3 OH226366 3.797 -0.421 -1.405 + 6686TIP3 H126367 3.714 -0.431 -1.455 + 6686TIP3 H226368 3.772 -0.350 -1.344 + 6687TIP3 OH226369 4.232 -0.487 -0.977 + 6687TIP3 H126370 4.244 -0.561 -0.915 + 6687TIP3 H226371 4.141 -0.504 -1.008 + 6688TIP3 OH226372 4.228 -0.204 -2.315 + 6688TIP3 H126373 4.179 -0.218 -2.232 + 6688TIP3 H226374 4.196 -0.280 -2.365 + 6689TIP3 OH226375 3.780 0.057 -1.263 + 6689TIP3 H126376 3.719 0.064 -1.188 + 6689TIP3 H226377 3.785 0.148 -1.297 + 6690TIP3 OH226378 3.774 0.065 -1.775 + 6690TIP3 H126379 3.678 0.053 -1.790 + 6690TIP3 H226380 3.809 0.043 -1.863 + 6691TIP3 OH226381 4.281 0.115 -1.827 + 6691TIP3 H126382 4.267 0.209 -1.848 + 6691TIP3 H226383 4.371 0.113 -1.794 + 6692TIP3 OH226384 4.249 0.145 -0.744 + 6692TIP3 H126385 4.195 0.065 -0.728 + 6692TIP3 H226386 4.338 0.104 -0.743 + 6693TIP3 OH226387 3.521 0.072 -1.080 + 6693TIP3 H126388 3.543 0.098 -0.990 + 6693TIP3 H226389 3.480 -0.016 -1.065 + 6694TIP3 OH226390 3.863 -0.163 -2.422 + 6694TIP3 H126391 3.825 -0.199 -2.339 + 6694TIP3 H226392 3.785 -0.155 -2.478 + 6695TIP3 OH226393 3.204 -0.174 -1.719 + 6695TIP3 H126394 3.260 -0.182 -1.639 + 6695TIP3 H226395 3.252 -0.224 -1.786 + 6696TIP3 OH226396 3.358 -0.138 -2.145 + 6696TIP3 H126397 3.414 -0.089 -2.209 + 6696TIP3 H226398 3.290 -0.072 -2.125 + 6697TIP3 OH226399 4.344 0.202 -1.138 + 6697TIP3 H126400 4.377 0.136 -1.204 + 6697TIP3 H226401 4.271 0.151 -1.099 + 6698TIP3 OH226402 4.049 -0.192 -1.671 + 6698TIP3 H126403 3.954 -0.190 -1.647 + 6698TIP3 H226404 4.089 -0.182 -1.584 + 6699TIP3 OH226405 3.511 -0.053 -1.806 + 6699TIP3 H126406 3.427 -0.029 -1.849 + 6699TIP3 H226407 3.538 -0.134 -1.852 + 6700TIP3 OH226408 3.873 -0.023 -2.037 + 6700TIP3 H126409 3.969 -0.011 -2.029 + 6700TIP3 H226410 3.846 0.040 -2.106 + 6701TIP3 OH226411 3.720 0.107 -2.259 + 6701TIP3 H126412 3.660 0.075 -2.328 + 6701TIP3 H226413 3.803 0.116 -2.309 + 6702TIP3 OH226414 3.530 0.598 -0.759 + 6702TIP3 H126415 3.617 0.598 -0.714 + 6702TIP3 H226416 3.475 0.580 -0.682 + 6703TIP3 OH226417 4.141 0.045 -1.527 + 6703TIP3 H126418 4.215 0.004 -1.574 + 6703TIP3 H226419 4.161 0.024 -1.435 + 6704TIP3 OH226420 3.683 -0.282 -1.876 + 6704TIP3 H126421 3.626 -0.358 -1.856 + 6704TIP3 H226422 3.766 -0.324 -1.903 + 6705TIP3 OH226423 4.051 -0.087 -1.261 + 6705TIP3 H126424 3.979 -0.023 -1.274 + 6705TIP3 H226425 4.101 -0.047 -1.188 + 6706TIP3 OH226426 4.073 0.547 -2.071 + 6706TIP3 H126427 3.995 0.500 -2.107 + 6706TIP3 H226428 4.050 0.557 -1.976 + 6707TIP3 OH226429 4.192 0.548 -0.950 + 6707TIP3 H126430 4.194 0.532 -0.856 + 6707TIP3 H226431 4.217 0.641 -0.959 + 6708TIP3 OH226432 3.580 0.506 -1.489 + 6708TIP3 H126433 3.633 0.489 -1.569 + 6708TIP3 H226434 3.582 0.419 -1.446 + 6709TIP3 OH226435 4.287 0.691 -2.177 + 6709TIP3 H126436 4.259 0.779 -2.145 + 6709TIP3 H226437 4.214 0.636 -2.143 + 6710TIP3 OH226438 4.002 0.280 -0.764 + 6710TIP3 H126439 3.966 0.247 -0.848 + 6710TIP3 H226440 4.095 0.252 -0.772 + 6711TIP3 OH226441 3.814 0.830 -1.764 + 6711TIP3 H126442 3.858 0.915 -1.779 + 6711TIP3 H226443 3.724 0.849 -1.792 + 6712TIP3 OH226444 3.414 0.310 -2.308 + 6712TIP3 H126445 3.473 0.376 -2.266 + 6712TIP3 H226446 3.327 0.335 -2.270 + 6713TIP3 OH226447 3.994 0.598 -1.808 + 6713TIP3 H126448 3.966 0.689 -1.790 + 6713TIP3 H226449 3.925 0.547 -1.763 + 6714TIP3 OH226450 4.019 1.027 -1.165 + 6714TIP3 H126451 4.077 1.099 -1.198 + 6714TIP3 H226452 4.084 0.974 -1.115 + 6715TIP3 OH226453 3.859 1.119 -1.847 + 6715TIP3 H126454 3.764 1.136 -1.837 + 6715TIP3 H226455 3.898 1.205 -1.822 + 6716TIP3 OH226456 3.430 -0.203 -1.005 + 6716TIP3 H126457 3.337 -0.176 -1.021 + 6716TIP3 H226458 3.417 -0.291 -0.965 + 6717TIP3 OH226459 3.410 0.906 -1.077 + 6717TIP3 H126460 3.458 0.877 -1.156 + 6717TIP3 H226461 3.435 1.000 -1.073 + 6718TIP3 OH226462 3.994 0.837 -2.464 + 6718TIP3 H126463 4.029 0.760 -2.511 + 6718TIP3 H226464 3.957 0.794 -2.385 + 6719TIP3 OH226465 3.885 0.781 -2.188 + 6719TIP3 H126466 3.934 0.729 -2.122 + 6719TIP3 H226467 3.899 0.873 -2.157 + 6720TIP3 OH226468 3.565 0.530 -2.155 + 6720TIP3 H126469 3.493 0.568 -2.099 + 6720TIP3 H226470 3.614 0.611 -2.179 + 6721TIP3 OH226471 4.335 -0.180 -1.093 + 6721TIP3 H126472 4.387 -0.258 -1.071 + 6721TIP3 H226473 4.275 -0.215 -1.161 + 6722TIP3 OH226474 4.167 0.947 -2.137 + 6722TIP3 H126475 4.089 0.999 -2.112 + 6722TIP3 H226476 4.210 1.006 -2.200 + 6723TIP3 OH226477 4.137 -0.087 -1.930 + 6723TIP3 H126478 4.201 -0.019 -1.899 + 6723TIP3 H226479 4.101 -0.112 -1.844 + 6724TIP3 OH226480 4.168 0.013 -1.012 + 6724TIP3 H126481 4.186 0.058 -0.928 + 6724TIP3 H226482 4.234 -0.059 -1.013 + 6725TIP3 OH226483 4.190 -0.385 -1.806 + 6725TIP3 H126484 4.167 -0.302 -1.759 + 6725TIP3 H226485 4.268 -0.357 -1.860 + 6726TIP3 OH226486 3.893 1.055 -2.130 + 6726TIP3 H126487 3.891 1.137 -2.182 + 6726TIP3 H226488 3.881 1.088 -2.039 + 6727TIP3 OH226489 3.770 -0.275 -2.188 + 6727TIP3 H126490 3.769 -0.204 -2.121 + 6727TIP3 H226491 3.848 -0.326 -2.159 + 6728TIP3 OH226492 3.611 0.813 -2.276 + 6728TIP3 H126493 3.685 0.860 -2.234 + 6728TIP3 H226494 3.661 0.760 -2.341 + 6729TIP3 OH226495 3.426 0.031 -2.365 + 6729TIP3 H126496 3.435 0.125 -2.341 + 6729TIP3 H226497 3.338 0.028 -2.403 + 6730TIP3 OH226498 3.517 -0.466 -1.485 + 6730TIP3 H126499 3.497 -0.471 -1.580 + 6730TIP3 H226500 3.484 -0.552 -1.451 + 6731TIP3 OH226501 3.406 0.883 -1.856 + 6731TIP3 H126502 3.327 0.933 -1.834 + 6731TIP3 H226503 3.443 0.934 -1.930 + 6732TIP3 OH226504 3.349 1.131 -0.752 + 6732TIP3 H126505 3.406 1.136 -0.673 + 6732TIP3 H226506 3.279 1.073 -0.722 + 6733TIP3 OH226507 3.817 1.084 -0.568 + 6733TIP3 H126508 3.880 1.016 -0.539 + 6733TIP3 H226509 3.791 1.048 -0.654 + 6734TIP3 OH226510 4.232 1.003 -2.434 + 6734TIP3 H126511 4.148 0.952 -2.430 + 6734TIP3 H226512 4.294 0.928 -2.443 + 6735TIP3 OH226513 3.763 0.579 -2.429 + 6735TIP3 H126514 3.777 0.519 -2.354 + 6735TIP3 H226515 3.849 0.573 -2.474 + 6736TIP3 OH226516 4.003 0.558 -0.697 + 6736TIP3 H126517 3.985 0.586 -0.788 + 6736TIP3 H226518 4.018 0.462 -0.708 + 6737TIP3 OH226519 4.262 0.711 -2.474 + 6737TIP3 H126520 4.276 0.720 -2.378 + 6737TIP3 H226521 4.242 0.616 -2.481 + 6738TIP3 OH226522 3.870 0.385 -2.198 + 6738TIP3 H126523 3.808 0.336 -2.142 + 6738TIP3 H226524 3.901 0.315 -2.258 + 6739TIP3 OH226525 3.796 0.168 -0.964 + 6739TIP3 H126526 3.736 0.243 -0.952 + 6739TIP3 H226527 3.854 0.198 -1.036 + 6740TIP3 OH226528 3.980 0.187 -2.366 + 6740TIP3 H126529 3.969 0.191 -2.463 + 6740TIP3 H226530 4.075 0.199 -2.356 + 6741TIP3 OH226531 4.282 0.413 -0.607 + 6741TIP3 H126532 4.359 0.382 -0.655 + 6741TIP3 H226533 4.266 0.337 -0.549 + 6742TIP3 OH226534 3.860 -0.105 -0.852 + 6742TIP3 H126535 3.859 -0.172 -0.923 + 6742TIP3 H226536 3.837 -0.024 -0.902 + 6743TIP3 OH226537 3.886 -0.261 -1.110 + 6743TIP3 H126538 3.935 -0.205 -1.175 + 6743TIP3 H226539 3.795 -0.259 -1.145 + 6744TIP3 OH226540 4.057 0.281 -1.086 + 6744TIP3 H126541 4.135 0.279 -1.144 + 6744TIP3 H226542 4.031 0.374 -1.093 + 6745TIP3 OH226543 3.663 0.079 -0.667 + 6745TIP3 H126544 3.609 -0.001 -0.685 + 6745TIP3 H226545 3.743 0.059 -0.718 + 6746TIP3 OH226546 3.970 -0.524 -1.075 + 6746TIP3 H126547 3.946 -0.430 -1.092 + 6746TIP3 H226548 3.905 -0.570 -1.130 + 6747TIP3 OH226549 4.102 -0.079 -0.701 + 6747TIP3 H126550 4.062 -0.105 -0.616 + 6747TIP3 H226551 4.027 -0.100 -0.761 + 6748TIP3 OH226552 3.554 -0.178 -0.689 + 6748TIP3 H126553 3.526 -0.230 -0.766 + 6748TIP3 H226554 3.489 -0.207 -0.623 + 6749TIP3 OH226555 3.945 -0.579 -0.792 + 6749TIP3 H126556 4.008 -0.653 -0.792 + 6749TIP3 H226557 3.938 -0.562 -0.888 + 6750TIP3 OH226558 4.035 -0.397 -0.598 + 6750TIP3 H126559 4.008 -0.453 -0.674 + 6750TIP3 H226560 3.971 -0.325 -0.603 + 6751TIP3 OH226561 3.956 1.308 -2.259 + 6751TIP3 H126562 4.052 1.316 -2.251 + 6751TIP3 H226563 3.941 1.357 -2.340 + 6752TIP3 OH226564 3.334 0.753 -2.309 + 6752TIP3 H126565 3.430 0.769 -2.293 + 6752TIP3 H226566 3.336 0.672 -2.364 + 6753TIP3 OH226567 3.235 1.269 -1.833 + 6753TIP3 H126568 3.162 1.233 -1.887 + 6753TIP3 H226569 3.244 1.201 -1.764 + 6754TIP3 OH226570 3.273 1.074 -1.636 + 6754TIP3 H126571 3.242 0.986 -1.606 + 6754TIP3 H226572 3.305 1.108 -1.551 + 6755TIP3 OH226573 3.270 0.398 -1.383 + 6755TIP3 H126574 3.292 0.396 -1.477 + 6755TIP3 H226575 3.355 0.373 -1.341 + 6756TIP3 OH226576 3.347 -0.219 -1.473 + 6756TIP3 H126577 3.387 -0.308 -1.464 + 6756TIP3 H226578 3.420 -0.163 -1.440 + 6757TIP3 OH226579 3.200 0.066 -1.354 + 6757TIP3 H126580 3.256 0.042 -1.429 + 6757TIP3 H226581 3.235 0.153 -1.331 + 6758TIP3 OH226582 3.253 -0.325 -1.966 + 6758TIP3 H126583 3.157 -0.319 -1.983 + 6758TIP3 H226584 3.291 -0.262 -2.030 + 6759TIP3 OH226585 3.255 -0.431 -1.147 + 6759TIP3 H126586 3.187 -0.457 -1.082 + 6759TIP3 H226587 3.200 -0.392 -1.217 + 6760TIP3 OH226588 3.737 0.972 -1.109 + 6760TIP3 H126589 3.716 1.060 -1.146 + 6760TIP3 H226590 3.833 0.972 -1.125 + 6761TIP3 OH226591 4.219 1.137 -0.823 + 6761TIP3 H126592 4.205 1.099 -0.734 + 6761TIP3 H226593 4.314 1.157 -0.818 + 6762TIP3 OH226594 3.466 1.253 -1.084 + 6762TIP3 H126595 3.417 1.326 -1.127 + 6762TIP3 H226596 3.445 1.274 -0.992 + 6763TIP3 OH226597 3.723 1.238 -1.227 + 6763TIP3 H126598 3.646 1.273 -1.179 + 6763TIP3 H226599 3.739 1.309 -1.293 + 6764TIP3 OH226600 4.192 1.228 -1.266 + 6764TIP3 H126601 4.181 1.273 -1.351 + 6764TIP3 H226602 4.263 1.280 -1.225 + 6765TIP3 OH226603 3.434 1.141 -1.389 + 6765TIP3 H126604 3.454 1.120 -1.297 + 6765TIP3 H226605 3.512 1.105 -1.436 + 6766TIP3 OH226606 3.636 1.025 -1.539 + 6766TIP3 H126607 3.625 0.930 -1.518 + 6766TIP3 H226608 3.729 1.040 -1.512 + 6767TIP3 OH226609 3.909 1.070 -1.454 + 6767TIP3 H126610 3.935 0.979 -1.476 + 6767TIP3 H226611 3.923 1.069 -1.358 + 6768TIP3 OH226612 4.265 -0.371 -1.522 + 6768TIP3 H126613 4.182 -0.421 -1.510 + 6768TIP3 H226614 4.299 -0.411 -1.602 + 6769TIP3 OH226615 3.482 -0.469 -1.770 + 6769TIP3 H126616 3.395 -0.485 -1.812 + 6769TIP3 H226617 3.523 -0.557 -1.781 + 6770TIP3 OH226618 3.358 -0.521 -2.181 + 6770TIP3 H126619 3.411 -0.455 -2.230 + 6770TIP3 H226620 3.322 -0.467 -2.108 + 6771TIP3 OH226621 3.929 -0.483 -1.778 + 6771TIP3 H126622 4.023 -0.458 -1.791 + 6771TIP3 H226623 3.928 -0.498 -1.683 + 6772TIP3 OH226624 3.381 1.074 -2.064 + 6772TIP3 H126625 3.316 1.062 -2.135 + 6772TIP3 H226626 3.378 1.171 -2.054 + 6773TIP3 OH226627 3.533 -0.338 -2.337 + 6773TIP3 H126628 3.594 -0.395 -2.388 + 6773TIP3 H226629 3.593 -0.305 -2.267 + 6774TIP3 OH226630 4.064 -0.316 -2.082 + 6774TIP3 H126631 4.071 -0.384 -2.013 + 6774TIP3 H226632 4.060 -0.234 -2.030 + 6775TIP3 OH226633 4.263 1.240 -2.255 + 6775TIP3 H126634 4.351 1.277 -2.271 + 6775TIP3 H226635 4.250 1.180 -2.331 + 6776TIP3 OH226636 3.460 -0.445 -0.818 + 6776TIP3 H126637 3.412 -0.522 -0.781 + 6776TIP3 H226638 3.549 -0.458 -0.783 + 6777TIP3 OH226639 3.705 -0.506 -0.636 + 6777TIP3 H126640 3.784 -0.542 -0.680 + 6777TIP3 H226641 3.661 -0.586 -0.604 + 6778TIP3 OH226642 3.525 1.173 -2.384 + 6778TIP3 H126643 3.500 1.196 -2.293 + 6778TIP3 H226644 3.599 1.111 -2.370 + 6779TIP3 OH226645 -3.158 2.293 -1.743 + 6779TIP3 H126646 -3.163 2.389 -1.735 + 6779TIP3 H226647 -3.237 2.274 -1.797 + 6780TIP3 OH226648 -3.269 2.234 -1.434 + 6780TIP3 H126649 -3.275 2.178 -1.355 + 6780TIP3 H226650 -3.301 2.173 -1.503 + 6781TIP3 OH226651 -4.025 2.192 -1.273 + 6781TIP3 H126652 -4.034 2.120 -1.208 + 6781TIP3 H226653 -3.961 2.250 -1.229 + 6782TIP3 OH226654 -2.898 2.503 -1.599 + 6782TIP3 H126655 -2.948 2.437 -1.550 + 6782TIP3 H226656 -2.891 2.575 -1.535 + 6783TIP3 OH226657 -3.959 2.656 -1.421 + 6783TIP3 H126658 -3.988 2.566 -1.445 + 6783TIP3 H226659 -3.866 2.639 -1.399 + 6784TIP3 OH226660 -4.174 2.102 -1.944 + 6784TIP3 H126661 -4.219 2.166 -1.886 + 6784TIP3 H226662 -4.218 2.021 -1.913 + 6785TIP3 OH226663 -4.212 2.241 -1.698 + 6785TIP3 H126664 -4.188 2.169 -1.637 + 6785TIP3 H226665 -4.127 2.273 -1.728 + 6786TIP3 OH226666 -3.201 3.043 -1.548 + 6786TIP3 H126667 -3.141 2.972 -1.576 + 6786TIP3 H226668 -3.230 3.013 -1.461 + 6787TIP3 OH226669 -3.425 2.485 -1.378 + 6787TIP3 H126670 -3.394 2.414 -1.437 + 6787TIP3 H226671 -3.344 2.500 -1.326 + 6788TIP3 OH226672 -2.561 1.629 -1.313 + 6788TIP3 H126673 -2.525 1.663 -1.230 + 6788TIP3 H226674 -2.493 1.658 -1.376 + 6789TIP3 OH226675 -3.094 1.920 -1.327 + 6789TIP3 H126676 -3.083 1.823 -1.319 + 6789TIP3 H226677 -3.107 1.930 -1.423 + 6790TIP3 OH226678 -3.798 1.720 -1.620 + 6790TIP3 H126679 -3.786 1.806 -1.666 + 6790TIP3 H226680 -3.834 1.667 -1.694 + 6791TIP3 OH226681 -3.014 1.737 -1.788 + 6791TIP3 H126682 -2.957 1.693 -1.721 + 6791TIP3 H226683 -2.948 1.781 -1.842 + 6792TIP3 OH226684 -4.133 2.000 -1.565 + 6792TIP3 H126685 -4.078 1.952 -1.502 + 6792TIP3 H226686 -4.125 1.943 -1.643 + 6793TIP3 OH226687 -3.591 2.131 -1.623 + 6793TIP3 H126688 -3.522 2.075 -1.583 + 6793TIP3 H226689 -3.643 2.065 -1.672 + 6794TIP3 OH226690 -2.464 1.791 -1.068 + 6794TIP3 H126691 -2.542 1.844 -1.088 + 6794TIP3 H226692 -2.481 1.765 -0.976 + 6795TIP3 OH226693 -3.917 1.603 -1.203 + 6795TIP3 H126694 -3.964 1.645 -1.276 + 6795TIP3 H226695 -3.980 1.616 -1.130 + 6796TIP3 OH226696 -3.168 2.576 -1.862 + 6796TIP3 H126697 -3.200 2.552 -1.949 + 6796TIP3 H226698 -3.215 2.660 -1.845 + 6797TIP3 OH226699 -3.625 2.386 -1.190 + 6797TIP3 H126700 -3.699 2.445 -1.164 + 6797TIP3 H226701 -3.564 2.449 -1.235 + 6798TIP3 OH226702 -2.830 1.661 -1.585 + 6798TIP3 H126703 -2.871 1.600 -1.522 + 6798TIP3 H226704 -2.780 1.720 -1.525 + 6799TIP3 OH226705 -3.957 1.808 -1.413 + 6799TIP3 H126706 -3.893 1.864 -1.365 + 6799TIP3 H226707 -3.899 1.769 -1.482 + 6800TIP3 OH226708 -3.827 2.573 -1.117 + 6800TIP3 H126709 -3.830 2.665 -1.149 + 6800TIP3 H226710 -3.916 2.567 -1.077 + 6801TIP3 OH226711 -4.184 2.535 -2.026 + 6801TIP3 H126712 -4.263 2.556 -2.079 + 6801TIP3 H226713 -4.189 2.600 -1.953 + 6802TIP3 OH226714 -2.842 2.684 -1.356 + 6802TIP3 H126715 -2.939 2.693 -1.347 + 6802TIP3 H226716 -2.820 2.773 -1.389 + 6803TIP3 OH226717 -2.815 1.582 -1.197 + 6803TIP3 H126718 -2.890 1.620 -1.247 + 6803TIP3 H226719 -2.741 1.595 -1.259 + 6804TIP3 OH226720 -3.505 1.348 -1.494 + 6804TIP3 H126721 -3.527 1.253 -1.499 + 6804TIP3 H226722 -3.588 1.385 -1.456 + 6805TIP3 OH226723 -3.016 2.880 -1.692 + 6805TIP3 H126724 -2.968 2.805 -1.730 + 6805TIP3 H226725 -2.953 2.953 -1.707 + 6806TIP3 OH226726 -2.873 2.667 -1.833 + 6806TIP3 H126727 -2.925 2.625 -1.904 + 6806TIP3 H226728 -2.883 2.602 -1.761 + 6807TIP3 OH226729 -2.719 2.551 -0.984 + 6807TIP3 H126730 -2.734 2.489 -1.057 + 6807TIP3 H226731 -2.715 2.638 -1.029 + 6808TIP3 OH226732 -3.296 2.242 -2.015 + 6808TIP3 H126733 -3.362 2.303 -2.052 + 6808TIP3 H226734 -3.225 2.247 -2.081 + 6809TIP3 OH226735 -3.267 2.061 -2.309 + 6809TIP3 H126736 -3.197 2.093 -2.249 + 6809TIP3 H226737 -3.215 2.003 -2.368 + 6810TIP3 OH226738 -2.525 2.186 -1.209 + 6810TIP3 H126739 -2.608 2.236 -1.202 + 6810TIP3 H226740 -2.504 2.193 -1.303 + 6811TIP3 OH226741 -2.943 2.243 -1.908 + 6811TIP3 H126742 -3.013 2.265 -1.842 + 6811TIP3 H226743 -2.887 2.183 -1.855 + 6812TIP3 OH226744 -2.957 2.098 -1.025 + 6812TIP3 H126745 -2.957 2.179 -0.972 + 6812TIP3 H226746 -3.027 2.122 -1.089 + 6813TIP3 OH226747 -3.781 2.321 -1.733 + 6813TIP3 H126748 -3.816 2.276 -1.812 + 6813TIP3 H226749 -3.719 2.255 -1.698 + 6814TIP3 OH226750 -3.647 2.660 -1.457 + 6814TIP3 H126751 -3.659 2.622 -1.544 + 6814TIP3 H226752 -3.568 2.613 -1.425 + 6815TIP3 OH226753 -3.726 2.201 -1.383 + 6815TIP3 H126754 -3.668 2.206 -1.461 + 6815TIP3 H226755 -3.687 2.268 -1.323 + 6816TIP3 OH226756 -3.121 2.747 -1.322 + 6816TIP3 H126757 -3.129 2.819 -1.257 + 6816TIP3 H226758 -3.154 2.670 -1.275 + 6817TIP3 OH226759 -3.642 2.632 -0.898 + 6817TIP3 H126760 -3.694 2.698 -0.849 + 6817TIP3 H226761 -3.706 2.605 -0.967 + 6818TIP3 OH226762 -3.049 2.187 -2.162 + 6818TIP3 H126763 -3.002 2.215 -2.081 + 6818TIP3 H226764 -2.999 2.238 -2.231 + 6819TIP3 OH226765 -3.956 2.266 -0.983 + 6819TIP3 H126766 -3.948 2.327 -0.907 + 6819TIP3 H226767 -4.053 2.262 -0.994 + 6820TIP3 OH226768 -3.300 2.847 -1.806 + 6820TIP3 H126769 -3.259 2.879 -1.724 + 6820TIP3 H226770 -3.352 2.924 -1.835 + 6821TIP3 OH226771 -3.835 2.846 -0.814 + 6821TIP3 H126772 -3.844 2.853 -0.911 + 6821TIP3 H226773 -3.927 2.830 -0.785 + 6822TIP3 OH226774 -2.705 1.362 -2.214 + 6822TIP3 H126775 -2.793 1.370 -2.172 + 6822TIP3 H226776 -2.671 1.452 -2.206 + 6823TIP3 OH226777 -3.891 2.191 -1.980 + 6823TIP3 H126778 -3.918 2.268 -2.032 + 6823TIP3 H226779 -3.971 2.135 -1.987 + 6824TIP3 OH226780 -2.567 2.774 -2.356 + 6824TIP3 H126781 -2.552 2.868 -2.336 + 6824TIP3 H226782 -2.480 2.735 -2.337 + 6825TIP3 OH226783 -4.264 2.474 -1.127 + 6825TIP3 H126784 -4.300 2.447 -1.214 + 6825TIP3 H226785 -4.306 2.407 -1.070 + 6826TIP3 OH226786 -4.284 2.758 -1.429 + 6826TIP3 H126787 -4.201 2.711 -1.410 + 6826TIP3 H226788 -4.300 2.805 -1.346 + 6827TIP3 OH226789 -2.443 2.814 -0.833 + 6827TIP3 H126790 -2.455 2.719 -0.847 + 6827TIP3 H226791 -2.534 2.841 -0.805 + 6828TIP3 OH226792 -3.378 2.737 -0.954 + 6828TIP3 H126793 -3.370 2.819 -0.902 + 6828TIP3 H226794 -3.468 2.708 -0.932 + 6829TIP3 OH226795 -3.348 3.119 -1.957 + 6829TIP3 H126796 -3.349 3.129 -2.054 + 6829TIP3 H226797 -3.344 3.211 -1.926 + 6830TIP3 OH226798 -3.976 3.031 -1.794 + 6830TIP3 H126799 -3.953 2.990 -1.708 + 6830TIP3 H226800 -4.056 2.980 -1.814 + 6831TIP3 OH226801 -3.019 3.061 -2.239 + 6831TIP3 H126802 -2.961 2.996 -2.283 + 6831TIP3 H226803 -3.024 3.023 -2.148 + 6832TIP3 OH226804 -3.080 3.003 -1.958 + 6832TIP3 H126805 -3.175 3.019 -1.945 + 6832TIP3 H226806 -3.066 2.931 -1.894 + 6833TIP3 OH226807 -2.771 1.954 -0.788 + 6833TIP3 H126808 -2.815 1.987 -0.867 + 6833TIP3 H226809 -2.755 1.860 -0.813 + 6834TIP3 OH226810 -4.071 2.615 -0.979 + 6834TIP3 H126811 -4.043 2.559 -0.904 + 6834TIP3 H226812 -4.146 2.565 -1.017 + 6835TIP3 OH226813 -3.748 1.465 -1.404 + 6835TIP3 H126814 -3.830 1.453 -1.454 + 6835TIP3 H226815 -3.775 1.535 -1.343 + 6836TIP3 OH226816 -3.308 1.420 -1.036 + 6836TIP3 H126817 -3.257 1.365 -0.973 + 6836TIP3 H226818 -3.399 1.386 -1.025 + 6837TIP3 OH226819 -2.990 1.796 -0.987 + 6837TIP3 H126820 -3.050 1.779 -0.912 + 6837TIP3 H226821 -2.998 1.892 -1.001 + 6838TIP3 OH226822 -2.893 2.293 -2.362 + 6838TIP3 H126823 -2.914 2.277 -2.455 + 6838TIP3 H226824 -2.800 2.320 -2.368 + 6839TIP3 OH226825 -3.330 1.672 -2.312 + 6839TIP3 H126826 -3.379 1.658 -2.229 + 6839TIP3 H226827 -3.370 1.604 -2.368 + 6840TIP3 OH226828 -3.759 1.943 -1.261 + 6840TIP3 H126829 -3.823 1.951 -1.188 + 6840TIP3 H226830 -3.757 2.034 -1.298 + 6841TIP3 OH226831 -3.769 1.949 -1.775 + 6841TIP3 H126832 -3.865 1.944 -1.792 + 6841TIP3 H226833 -3.735 1.931 -1.864 + 6842TIP3 OH226834 -3.207 2.007 -1.895 + 6842TIP3 H126835 -3.249 2.089 -1.930 + 6842TIP3 H226836 -3.139 1.990 -1.963 + 6843TIP3 OH226837 -3.282 2.023 -0.757 + 6843TIP3 H126838 -3.338 1.949 -0.724 + 6843TIP3 H226839 -3.197 2.003 -0.715 + 6844TIP3 OH226840 -3.117 1.947 -1.619 + 6844TIP3 H126841 -3.150 2.003 -1.692 + 6844TIP3 H226842 -3.099 1.865 -1.669 + 6845TIP3 OH226843 -4.017 1.956 -1.081 + 6845TIP3 H126844 -4.001 1.996 -0.994 + 6845TIP3 H226845 -4.054 1.869 -1.055 + 6846TIP3 OH226846 -3.687 1.718 -2.420 + 6846TIP3 H126847 -3.723 1.681 -2.337 + 6846TIP3 H226848 -3.766 1.731 -2.473 + 6847TIP3 OH226849 -4.312 1.711 -1.720 + 6847TIP3 H126850 -4.314 1.697 -1.624 + 6847TIP3 H226851 -4.273 1.629 -1.752 + 6848TIP3 OH226852 -4.214 1.776 -2.125 + 6848TIP3 H126853 -4.150 1.793 -2.197 + 6848TIP3 H226854 -4.298 1.791 -2.171 + 6849TIP3 OH226855 -3.206 2.113 -1.170 + 6849TIP3 H126856 -3.166 2.040 -1.223 + 6849TIP3 H226857 -3.247 2.065 -1.097 + 6850TIP3 OH226858 -3.490 1.710 -1.670 + 6850TIP3 H126859 -3.585 1.704 -1.648 + 6850TIP3 H226860 -3.449 1.687 -1.585 + 6851TIP3 OH226861 -4.037 1.835 -1.811 + 6851TIP3 H126862 -4.127 1.833 -1.846 + 6851TIP3 H226863 -4.001 1.751 -1.845 + 6852TIP3 OH226864 -3.671 1.862 -2.037 + 6852TIP3 H126865 -3.575 1.872 -2.030 + 6852TIP3 H226866 -3.697 1.926 -2.106 + 6853TIP3 OH226867 -3.051 1.622 -1.369 + 6853TIP3 H126868 -3.114 1.622 -1.294 + 6853TIP3 H226869 -3.108 1.587 -1.439 + 6854TIP3 OH226870 -3.825 1.990 -2.260 + 6854TIP3 H126871 -3.883 1.958 -2.330 + 6854TIP3 H226872 -3.743 2.009 -2.309 + 6855TIP3 OH226873 -2.750 3.199 -0.704 + 6855TIP3 H126874 -2.729 3.246 -0.786 + 6855TIP3 H226875 -2.682 3.232 -0.644 + 6856TIP3 OH226876 -3.952 2.462 -0.761 + 6856TIP3 H126877 -3.891 2.467 -0.684 + 6856TIP3 H226878 -4.038 2.471 -0.714 + 6857TIP3 OH226879 -3.387 1.965 -1.487 + 6857TIP3 H126880 -3.318 1.916 -1.535 + 6857TIP3 H226881 -3.407 1.903 -1.414 + 6858TIP3 OH226882 -3.874 1.599 -1.866 + 6858TIP3 H126883 -3.918 1.513 -1.859 + 6858TIP3 H226884 -3.790 1.575 -1.909 + 6859TIP3 OH226885 -3.489 1.812 -1.268 + 6859TIP3 H126886 -3.570 1.865 -1.263 + 6859TIP3 H226887 -3.444 1.832 -1.183 + 6860TIP3 OH226888 -3.479 2.448 -2.075 + 6860TIP3 H126889 -3.555 2.398 -2.110 + 6860TIP3 H226890 -3.498 2.452 -1.979 + 6861TIP3 OH226891 -2.736 2.371 -1.223 + 6861TIP3 H126892 -2.723 2.438 -1.292 + 6861TIP3 H226893 -2.829 2.347 -1.242 + 6862TIP3 OH226894 -3.062 1.731 -2.299 + 6862TIP3 H126895 -3.160 1.728 -2.301 + 6862TIP3 H226896 -3.043 1.803 -2.235 + 6863TIP3 OH226897 -3.309 2.450 -0.942 + 6863TIP3 H126898 -3.343 2.416 -0.858 + 6863TIP3 H226899 -3.343 2.541 -0.943 + 6864TIP3 OH226900 -2.994 1.913 -2.092 + 6864TIP3 H126901 -2.906 1.897 -2.053 + 6864TIP3 H226902 -2.983 2.001 -2.134 + 6865TIP3 OH226903 -3.974 2.381 -1.501 + 6865TIP3 H126904 -3.909 2.370 -1.573 + 6865TIP3 H226905 -3.964 2.298 -1.452 + 6866TIP3 OH226906 -3.238 2.583 -2.182 + 6866TIP3 H126907 -3.264 2.670 -2.144 + 6866TIP3 H226908 -3.313 2.528 -2.155 + 6867TIP3 OH226909 -4.238 2.230 -0.940 + 6867TIP3 H126910 -4.234 2.166 -0.867 + 6867TIP3 H226911 -4.284 2.178 -1.009 + 6868TIP3 OH226912 -3.540 2.164 -0.766 + 6868TIP3 H126913 -3.580 2.137 -0.850 + 6868TIP3 H226914 -3.447 2.138 -0.780 + 6869TIP3 OH226915 -3.086 2.706 -0.995 + 6869TIP3 H126916 -3.183 2.715 -1.002 + 6869TIP3 H226917 -3.071 2.733 -0.903 + 6870TIP3 OH226918 -2.535 1.911 -2.117 + 6870TIP3 H126919 -2.590 1.891 -2.195 + 6870TIP3 H226920 -2.523 2.007 -2.132 + 6871TIP3 OH226921 -2.491 2.513 -0.835 + 6871TIP3 H126922 -2.585 2.537 -0.855 + 6871TIP3 H226923 -2.455 2.505 -0.925 + 6872TIP3 OH226924 -2.714 2.773 -2.108 + 6872TIP3 H126925 -2.734 2.693 -2.057 + 6872TIP3 H226926 -2.661 2.739 -2.182 + 6873TIP3 OH226927 -2.984 2.305 -1.368 + 6873TIP3 H126928 -3.079 2.292 -1.390 + 6873TIP3 H226929 -2.945 2.230 -1.417 + 6874TIP3 OH226930 -3.726 2.715 -1.767 + 6874TIP3 H126931 -3.686 2.802 -1.778 + 6874TIP3 H226932 -3.819 2.733 -1.788 + 6875TIP3 OH226933 -4.155 2.211 -2.297 + 6875TIP3 H126934 -4.081 2.262 -2.257 + 6875TIP3 H226935 -4.228 2.270 -2.279 + 6876TIP3 OH226936 -3.542 2.484 -1.804 + 6876TIP3 H126937 -3.574 2.575 -1.790 + 6876TIP3 H226938 -3.614 2.433 -1.763 + 6877TIP3 OH226939 -3.526 2.910 -1.170 + 6877TIP3 H126940 -3.471 2.985 -1.198 + 6877TIP3 H226941 -3.465 2.862 -1.111 + 6878TIP3 OH226942 -3.681 3.005 -1.845 + 6878TIP3 H126943 -3.777 3.018 -1.837 + 6878TIP3 H226944 -3.647 3.093 -1.821 + 6879TIP3 OH226945 -3.185 2.484 -1.212 + 6879TIP3 H126946 -3.217 2.460 -1.124 + 6879TIP3 H226947 -3.113 2.421 -1.226 + 6880TIP3 OH226948 -2.968 2.615 -2.321 + 6880TIP3 H126949 -2.927 2.569 -2.245 + 6880TIP3 H226950 -3.062 2.602 -2.297 + 6881TIP3 OH226951 -2.889 2.941 -0.976 + 6881TIP3 H126952 -2.967 2.898 -1.015 + 6881TIP3 H226953 -2.882 3.023 -1.028 + 6882TIP3 OH226954 -2.496 3.041 -2.267 + 6882TIP3 H126955 -2.425 3.105 -2.288 + 6882TIP3 H226956 -2.572 3.102 -2.267 + 6883TIP3 OH226957 -4.103 1.690 -0.996 + 6883TIP3 H126958 -4.185 1.715 -1.043 + 6883TIP3 H226959 -4.122 1.601 -0.962 + 6884TIP3 OH226960 -2.872 2.478 -2.081 + 6884TIP3 H126961 -2.900 2.405 -2.023 + 6884TIP3 H226962 -2.775 2.474 -2.073 + 6885TIP3 OH226963 -4.127 2.857 -1.161 + 6885TIP3 H126964 -4.109 2.762 -1.149 + 6885TIP3 H226965 -4.097 2.892 -1.076 + 6886TIP3 OH226966 -3.544 2.720 -2.463 + 6886TIP3 H126967 -3.516 2.641 -2.512 + 6886TIP3 H226968 -3.587 2.680 -2.385 + 6887TIP3 OH226969 -3.662 2.672 -2.192 + 6887TIP3 H126970 -3.611 2.619 -2.128 + 6887TIP3 H226971 -3.647 2.763 -2.159 + 6888TIP3 OH226972 -3.987 2.414 -2.159 + 6888TIP3 H126973 -4.057 2.453 -2.101 + 6888TIP3 H226974 -3.938 2.494 -2.181 + 6889TIP3 OH226975 -3.209 1.666 -1.146 + 6889TIP3 H126976 -3.143 1.685 -1.078 + 6889TIP3 H226977 -3.258 1.590 -1.108 + 6890TIP3 OH226978 -3.146 1.607 -2.024 + 6890TIP3 H126979 -3.128 1.660 -2.103 + 6890TIP3 H226980 -3.101 1.657 -1.954 + 6891TIP3 OH226981 -3.365 2.834 -2.128 + 6891TIP3 H126982 -3.447 2.883 -2.111 + 6891TIP3 H226983 -3.330 2.881 -2.205 + 6892TIP3 OH226984 -3.405 1.806 -1.929 + 6892TIP3 H126985 -3.329 1.867 -1.915 + 6892TIP3 H226986 -3.434 1.790 -1.837 + 6893TIP3 OH226987 -3.369 1.896 -1.012 + 6893TIP3 H126988 -3.360 1.948 -0.931 + 6893TIP3 H226989 -3.313 1.820 -0.996 + 6894TIP3 OH226990 -3.346 1.508 -1.835 + 6894TIP3 H126991 -3.365 1.577 -1.769 + 6894TIP3 H226992 -3.273 1.550 -1.886 + 6895TIP3 OH226993 -3.644 2.942 -2.129 + 6895TIP3 H126994 -3.652 3.023 -2.183 + 6895TIP3 H226995 -3.658 2.977 -2.039 + 6896TIP3 OH226996 -3.774 1.610 -2.178 + 6896TIP3 H126997 -3.766 1.689 -2.122 + 6896TIP3 H226998 -3.693 1.561 -2.153 + 6897TIP3 OH226999 -2.725 1.710 -0.914 + 6897TIP3 H127000 -2.820 1.703 -0.932 + 6897TIP3 H227001 -2.691 1.660 -0.990 + 6898TIP3 OH227002 -2.884 2.078 -1.519 + 6898TIP3 H127003 -2.968 2.037 -1.546 + 6898TIP3 H227004 -2.839 2.003 -1.474 + 6899TIP3 OH227005 -3.931 2.699 -2.276 + 6899TIP3 H127006 -3.855 2.742 -2.234 + 6899TIP3 H227007 -3.885 2.643 -2.340 + 6900TIP3 OH227008 -4.114 1.911 -2.359 + 6900TIP3 H127009 -4.106 2.006 -2.339 + 6900TIP3 H227010 -4.194 1.905 -2.411 + 6901TIP3 OH227011 -2.783 2.962 -1.385 + 6901TIP3 H127012 -2.808 3.042 -1.436 + 6901TIP3 H227013 -2.693 2.987 -1.358 + 6902TIP3 OH227014 -4.023 1.409 -1.489 + 6902TIP3 H127015 -4.059 1.407 -1.579 + 6902TIP3 H227016 -4.067 1.330 -1.449 + 6903TIP3 OH227017 -4.136 2.774 -1.860 + 6903TIP3 H127018 -4.226 2.810 -1.853 + 6903TIP3 H227019 -4.104 2.817 -1.941 + 6904TIP3 OH227020 -4.213 3.053 -0.738 + 6904TIP3 H127021 -4.151 3.052 -0.664 + 6904TIP3 H227022 -4.217 2.957 -0.752 + 6905TIP3 OH227023 -3.724 2.965 -0.565 + 6905TIP3 H127024 -3.657 2.899 -0.545 + 6905TIP3 H227025 -3.750 2.939 -0.654 + 6906TIP3 OH227026 -3.322 2.890 -2.412 + 6906TIP3 H127027 -3.398 2.829 -2.423 + 6906TIP3 H227028 -3.252 2.836 -2.451 + 6907TIP3 OH227029 -3.077 2.790 -0.709 + 6907TIP3 H127030 -3.119 2.711 -0.669 + 6907TIP3 H227031 -3.011 2.814 -0.642 + 6908TIP3 OH227032 -2.860 2.881 -2.402 + 6908TIP3 H127033 -2.844 2.800 -2.352 + 6908TIP3 H227034 -2.782 2.887 -2.459 + 6909TIP3 OH227035 -4.199 2.454 -0.677 + 6909TIP3 H127036 -4.190 2.366 -0.715 + 6909TIP3 H227037 -4.287 2.481 -0.707 + 6910TIP3 OH227038 -3.781 2.463 -2.429 + 6910TIP3 H127039 -3.762 2.405 -2.353 + 6910TIP3 H227040 -3.695 2.461 -2.476 + 6911TIP3 OH227041 -3.537 2.441 -0.698 + 6911TIP3 H127042 -3.570 2.474 -0.783 + 6911TIP3 H227043 -3.532 2.344 -0.713 + 6912TIP3 OH227044 -3.256 2.596 -2.468 + 6912TIP3 H127045 -3.261 2.592 -2.371 + 6912TIP3 H227046 -3.261 2.501 -2.489 + 6913TIP3 OH227047 -2.999 2.401 -0.960 + 6913TIP3 H127048 -2.925 2.463 -0.970 + 6913TIP3 H227049 -3.074 2.462 -0.959 + 6914TIP3 OH227050 -4.134 2.129 -0.698 + 6914TIP3 H127051 -4.056 2.072 -0.710 + 6914TIP3 H227052 -4.124 2.157 -0.605 + 6915TIP3 OH227053 -3.674 2.273 -2.195 + 6915TIP3 H127054 -3.735 2.223 -2.139 + 6915TIP3 H227055 -3.644 2.204 -2.258 + 6916TIP3 OH227056 -3.747 2.051 -0.964 + 6916TIP3 H127057 -3.807 2.127 -0.953 + 6916TIP3 H227058 -3.687 2.083 -1.034 + 6917TIP3 OH227059 -3.576 2.074 -2.370 + 6917TIP3 H127060 -3.579 2.083 -2.467 + 6917TIP3 H227061 -3.480 2.070 -2.354 + 6918TIP3 OH227062 -3.219 2.320 -0.615 + 6918TIP3 H127063 -3.129 2.301 -0.645 + 6918TIP3 H227064 -3.246 2.235 -0.577 + 6919TIP3 OH227065 -2.625 2.325 -2.437 + 6919TIP3 H127066 -2.634 2.283 -2.524 + 6919TIP3 H227067 -2.635 2.419 -2.461 + 6920TIP3 OH227068 -3.687 1.780 -0.854 + 6920TIP3 H127069 -3.684 1.712 -0.924 + 6920TIP3 H227070 -3.710 1.859 -0.906 + 6921TIP3 OH227071 -3.657 1.626 -1.110 + 6921TIP3 H127072 -3.607 1.676 -1.176 + 6921TIP3 H227073 -3.749 1.627 -1.146 + 6922TIP3 OH227074 -3.497 2.171 -1.069 + 6922TIP3 H127075 -3.417 2.163 -1.122 + 6922TIP3 H227076 -3.533 2.256 -1.101 + 6923TIP3 OH227077 -3.044 1.941 -0.579 + 6923TIP3 H127078 -3.016 1.849 -0.596 + 6923TIP3 H227079 -2.959 1.988 -0.585 + 6924TIP3 OH227080 -2.949 2.242 -0.739 + 6924TIP3 H127081 -2.981 2.302 -0.810 + 6924TIP3 H227082 -2.862 2.218 -0.775 + 6925TIP3 OH227083 -3.875 1.966 -0.676 + 6925TIP3 H127084 -3.929 1.884 -0.677 + 6925TIP3 H227085 -3.797 1.937 -0.725 + 6926TIP3 OH227086 -3.583 1.358 -1.077 + 6926TIP3 H127087 -3.604 1.453 -1.092 + 6926TIP3 H227088 -3.654 1.315 -1.129 + 6927TIP3 OH227089 -3.457 1.815 -0.691 + 6927TIP3 H127090 -3.502 1.792 -0.608 + 6927TIP3 H227091 -3.530 1.795 -0.754 + 6928TIP3 OH227092 -3.196 1.716 -0.804 + 6928TIP3 H127093 -3.289 1.718 -0.776 + 6928TIP3 H227094 -3.158 1.658 -0.736 + 6929TIP3 OH227095 -3.027 1.602 -0.564 + 6929TIP3 H127096 -3.026 1.508 -0.591 + 6929TIP3 H227097 -3.095 1.603 -0.495 + 6930TIP3 OH227098 -4.008 1.712 -0.694 + 6930TIP3 H127099 -4.016 1.640 -0.758 + 6930TIP3 H227100 -4.031 1.667 -0.611 + 6931TIP3 OH227101 -3.594 1.312 -0.791 + 6931TIP3 H127102 -3.541 1.231 -0.786 + 6931TIP3 H227103 -3.601 1.323 -0.888 + 6932TIP3 OH227104 -3.494 1.503 -0.610 + 6932TIP3 H127105 -3.523 1.438 -0.677 + 6932TIP3 H227106 -3.572 1.559 -0.600 + 6933TIP3 OH227107 -3.600 3.198 -2.260 + 6933TIP3 H127108 -3.504 3.208 -2.249 + 6933TIP3 H227109 -3.613 3.241 -2.345 + 6934TIP3 OH227110 -4.199 2.687 -2.353 + 6934TIP3 H127111 -4.122 2.682 -2.293 + 6934TIP3 H227112 -4.217 2.594 -2.373 + 6935TIP3 OH227113 -4.273 2.964 -1.640 + 6935TIP3 H127114 -4.276 2.876 -1.599 + 6935TIP3 H227115 -4.244 3.016 -1.564 + 6936TIP3 OH227116 -2.517 3.081 -1.335 + 6936TIP3 H127117 -2.499 3.081 -1.239 + 6936TIP3 H227118 -2.433 3.116 -1.368 + 6937TIP3 OH227119 -2.527 3.030 -1.045 + 6937TIP3 H127120 -2.575 2.954 -1.082 + 6937TIP3 H227121 -2.469 2.985 -0.981 + 6938TIP3 OH227122 -2.726 2.571 -0.617 + 6938TIP3 H127123 -2.815 2.581 -0.578 + 6938TIP3 H227124 -2.680 2.651 -0.586 + 6939TIP3 OH227125 -2.588 2.461 -2.042 + 6939TIP3 H127126 -2.497 2.496 -2.029 + 6939TIP3 H227127 -2.593 2.397 -1.970 + 6940TIP3 OH227128 -2.534 2.257 -1.838 + 6940TIP3 H127129 -2.607 2.201 -1.805 + 6940TIP3 H227130 -2.476 2.264 -1.760 + 6941TIP3 OH227131 -2.700 2.793 -1.120 + 6941TIP3 H127132 -2.767 2.843 -1.071 + 6941TIP3 H227133 -2.748 2.768 -1.201 + 6942TIP3 OH227134 -2.517 2.203 -2.186 + 6942TIP3 H127135 -2.566 2.229 -2.266 + 6942TIP3 H227136 -2.527 2.282 -2.132 + 6943TIP3 OH227137 -2.686 1.958 -2.361 + 6943TIP3 H127138 -2.662 2.018 -2.433 + 6943TIP3 H227139 -2.711 1.877 -2.409 + 6944TIP3 OH227140 -2.743 2.073 -1.764 + 6944TIP3 H127141 -2.750 1.978 -1.783 + 6944TIP3 H227142 -2.784 2.079 -1.675 + 6945TIP3 OH227143 -4.263 2.308 -1.373 + 6945TIP3 H127144 -4.236 2.324 -1.465 + 6945TIP3 H227145 -4.179 2.277 -1.334 + 6946TIP3 OH227146 -2.681 2.260 -0.852 + 6946TIP3 H127147 -2.610 2.196 -0.831 + 6946TIP3 H227148 -2.633 2.343 -0.861 + 6947TIP3 OH227149 -2.523 2.059 -0.741 + 6947TIP3 H127150 -2.607 2.011 -0.753 + 6947TIP3 H227151 -2.460 1.985 -0.737 + 6948TIP3 OH227152 -2.740 1.693 -2.441 + 6948TIP3 H127153 -2.682 1.643 -2.381 + 6948TIP3 H227154 -2.820 1.639 -2.447 + 6949TIP3 OH227155 -2.758 1.822 -1.945 + 6949TIP3 H127156 -2.736 1.727 -1.940 + 6949TIP3 H227157 -2.678 1.856 -1.988 + 6950TIP3 OH227158 -2.732 1.876 -1.401 + 6950TIP3 H127159 -2.634 1.883 -1.402 + 6950TIP3 H227160 -2.747 1.872 -1.306 + 6951TIP3 OH227161 -2.714 1.957 -1.121 + 6951TIP3 H127162 -2.802 1.988 -1.093 + 6951TIP3 H227163 -2.668 2.040 -1.140 + 6952TIP3 OH227164 -4.280 1.819 -0.740 + 6952TIP3 H127165 -4.197 1.776 -0.765 + 6952TIP3 H227166 -4.346 1.748 -0.742 + 6953TIP3 OH227167 -2.712 1.542 -1.949 + 6953TIP3 H127168 -2.701 1.507 -1.859 + 6953TIP3 H227169 -2.792 1.492 -1.979 + 6954TIP3 OH227170 -4.196 1.674 -1.436 + 6954TIP3 H127171 -4.166 1.583 -1.445 + 6954TIP3 H227172 -4.113 1.724 -1.428 + 6955TIP3 OH227173 -4.348 1.957 -1.377 + 6955TIP3 H127174 -4.326 1.883 -1.436 + 6955TIP3 H227175 -4.281 2.021 -1.400 + 6956TIP3 OH227176 -2.515 1.590 -2.282 + 6956TIP3 H127177 -2.485 1.510 -2.327 + 6956TIP3 H227178 -2.433 1.642 -2.275 + 6957TIP3 OH227179 -4.313 1.542 -2.013 + 6957TIP3 H127180 -4.400 1.572 -2.045 + 6957TIP3 H227181 -4.256 1.617 -2.038 + 6958TIP3 OH227182 -2.827 3.086 -1.753 + 6958TIP3 H127183 -2.781 3.066 -1.836 + 6958TIP3 H227184 -2.759 3.131 -1.702 + 6959TIP3 OH227185 -4.296 1.430 -1.176 + 6959TIP3 H127186 -4.360 1.431 -1.101 + 6959TIP3 H227187 -4.332 1.495 -1.239 + 6960TIP3 OH227188 -4.116 2.794 -0.703 + 6960TIP3 H127189 -4.170 2.733 -0.755 + 6960TIP3 H227190 -4.132 2.760 -0.612 + 6961TIP3 OH227191 -3.801 2.860 -1.112 + 6961TIP3 H127192 -3.834 2.943 -1.150 + 6961TIP3 H227193 -3.706 2.869 -1.131 + 6962TIP3 OH227194 -3.351 2.988 -0.813 + 6962TIP3 H127195 -3.338 2.973 -0.718 + 6962TIP3 H227196 -3.268 3.035 -0.837 + 6963TIP3 OH227197 -3.122 3.135 -0.889 + 6963TIP3 H127198 -3.054 3.070 -0.909 + 6963TIP3 H227199 -3.093 3.167 -0.802 + 6964TIP3 OH227200 -2.620 1.417 -0.980 + 6964TIP3 H127201 -2.701 1.435 -1.029 + 6964TIP3 H227202 -2.594 1.332 -1.016 + 6965TIP3 OH227203 -4.069 3.165 -1.089 + 6965TIP3 H127204 -4.139 3.214 -1.137 + 6965TIP3 H227205 -4.101 3.173 -0.998 + 6966TIP3 OH227206 -3.818 3.132 -1.224 + 6966TIP3 H127207 -3.905 3.150 -1.183 + 6966TIP3 H227208 -3.815 3.199 -1.295 + 6967TIP3 OH227209 -3.340 3.132 -1.270 + 6967TIP3 H127210 -3.380 3.176 -1.347 + 6967TIP3 H227211 -3.333 3.206 -1.207 + 6968TIP3 OH227212 -3.108 3.002 -1.179 + 6968TIP3 H127213 -3.193 3.039 -1.210 + 6968TIP3 H227214 -3.052 3.081 -1.179 + 6969TIP3 OH227215 -2.855 3.175 -1.160 + 6969TIP3 H127216 -2.860 3.272 -1.177 + 6969TIP3 H227217 -2.827 3.144 -1.247 + 6970TIP3 OH227218 -4.125 3.041 -1.391 + 6970TIP3 H127219 -4.135 2.995 -1.305 + 6970TIP3 H227220 -4.049 2.992 -1.429 + 6971TIP3 OH227221 -3.909 2.913 -1.541 + 6971TIP3 H127222 -3.927 2.821 -1.513 + 6971TIP3 H227223 -3.820 2.928 -1.507 + 6972TIP3 OH227224 -3.628 2.956 -1.454 + 6972TIP3 H127225 -3.613 2.862 -1.476 + 6972TIP3 H227226 -3.624 2.953 -1.358 + 6973TIP3 OH227227 -3.297 1.545 -1.523 + 6973TIP3 H127228 -3.366 1.477 -1.507 + 6973TIP3 H227229 -3.237 1.497 -1.583 + 6974TIP3 OH227230 -2.796 1.351 -1.477 + 6974TIP3 H127231 -2.725 1.397 -1.526 + 6974TIP3 H227232 -2.875 1.372 -1.529 + 6975TIP3 OH227233 -2.593 1.455 -1.692 + 6975TIP3 H127234 -2.520 1.415 -1.742 + 6975TIP3 H227235 -2.561 1.546 -1.679 + 6976TIP3 OH227236 -4.106 1.403 -1.773 + 6976TIP3 H127237 -4.181 1.371 -1.825 + 6976TIP3 H227238 -4.045 1.327 -1.779 + 6977TIP3 OH227239 -4.184 1.363 -2.192 + 6977TIP3 H127240 -4.131 1.430 -2.239 + 6977TIP3 H227241 -4.233 1.418 -2.128 + 6978TIP3 OH227242 -3.616 1.402 -1.779 + 6978TIP3 H127243 -3.523 1.427 -1.793 + 6978TIP3 H227244 -3.618 1.389 -1.684 + 6979TIP3 OH227245 -3.055 1.402 -1.638 + 6979TIP3 H127246 -3.029 1.384 -1.729 + 6979TIP3 H227247 -3.095 1.317 -1.612 + 6980TIP3 OH227248 -2.944 1.402 -2.042 + 6980TIP3 H127249 -3.027 1.452 -2.055 + 6980TIP3 H227250 -2.979 1.313 -2.024 + 6981TIP3 OH227251 -4.189 2.965 -2.084 + 6981TIP3 H127252 -4.249 2.947 -2.156 + 6981TIP3 H227253 -4.183 3.062 -2.086 + 6982TIP3 OH227254 -4.005 1.553 -2.335 + 6982TIP3 H127255 -3.948 1.493 -2.385 + 6982TIP3 H227256 -3.944 1.582 -2.265 + 6983TIP3 OH227257 -3.498 1.566 -2.075 + 6983TIP3 H127258 -3.466 1.507 -2.006 + 6983TIP3 H227259 -3.478 1.652 -2.035 + 6984TIP3 OH227260 -3.295 3.143 -2.251 + 6984TIP3 H127261 -3.198 3.145 -2.256 + 6984TIP3 H227262 -3.315 3.078 -2.320 + 6985TIP3 OH227263 -2.647 3.046 -1.992 + 6985TIP3 H127264 -2.668 2.963 -2.037 + 6985TIP3 H227265 -2.646 3.109 -2.066 + 6986TIP3 OH227266 -4.079 1.443 -0.816 + 6986TIP3 H127267 -4.125 1.367 -0.778 + 6986TIP3 H227268 -3.988 1.426 -0.787 + 6987TIP3 OH227269 -3.842 1.380 -0.639 + 6987TIP3 H127270 -3.761 1.342 -0.680 + 6987TIP3 H227271 -3.878 1.301 -0.595 + 6988TIP3 OH227272 -4.012 3.065 -2.386 + 6988TIP3 H127273 -4.040 3.082 -2.295 + 6988TIP3 H227274 -3.941 2.999 -2.373 + 6989TIP3 OH227275 -3.012 1.322 -0.621 + 6989TIP3 H127276 -3.016 1.264 -0.543 + 6989TIP3 H227277 -2.924 1.297 -0.658 + 6990TIP3 OH227278 -2.694 2.922 -0.756 + 6990TIP3 H127279 -2.769 2.904 -0.816 + 6990TIP3 H227280 -2.710 3.016 -0.734 + 6991TIP3 OH227281 -1.275 2.290 -1.741 + 6991TIP3 H127282 -1.275 2.386 -1.730 + 6991TIP3 H227283 -1.352 2.278 -1.799 + 6992TIP3 OH227284 -1.391 2.234 -1.433 + 6992TIP3 H127285 -1.389 2.176 -1.355 + 6992TIP3 H227286 -1.416 2.172 -1.503 + 6993TIP3 OH227287 -2.167 2.201 -1.276 + 6993TIP3 H127288 -2.168 2.123 -1.218 + 6993TIP3 H227289 -2.091 2.249 -1.240 + 6994TIP3 OH227290 -1.021 2.507 -1.602 + 6994TIP3 H127291 -1.059 2.437 -1.547 + 6994TIP3 H227292 -0.994 2.572 -1.535 + 6995TIP3 OH227293 -2.079 2.644 -1.422 + 6995TIP3 H127294 -2.063 2.550 -1.442 + 6995TIP3 H227295 -1.990 2.666 -1.387 + 6996TIP3 OH227296 -2.379 2.005 -1.875 + 6996TIP3 H127297 -2.427 2.089 -1.877 + 6996TIP3 H227298 -2.443 1.945 -1.916 + 6997TIP3 OH227299 -2.316 2.266 -1.644 + 6997TIP3 H127300 -2.303 2.176 -1.608 + 6997TIP3 H227301 -2.251 2.266 -1.715 + 6998TIP3 OH227302 -1.324 3.036 -1.549 + 6998TIP3 H127303 -1.255 2.974 -1.578 + 6998TIP3 H227304 -1.340 3.009 -1.458 + 6999TIP3 OH227305 -1.541 2.485 -1.377 + 6999TIP3 H127306 -1.508 2.413 -1.433 + 6999TIP3 H227307 -1.459 2.502 -1.326 + 7000TIP3 OH227308 -0.685 1.638 -1.281 + 7000TIP3 H127309 -0.647 1.690 -1.210 + 7000TIP3 H227310 -0.622 1.653 -1.352 + 7001TIP3 OH227311 -1.217 1.919 -1.327 + 7001TIP3 H127312 -1.189 1.826 -1.322 + 7001TIP3 H227313 -1.220 1.933 -1.423 + 7002TIP3 OH227314 -1.916 1.732 -1.626 + 7002TIP3 H127315 -1.902 1.816 -1.675 + 7002TIP3 H227316 -1.953 1.678 -1.698 + 7003TIP3 OH227317 -1.128 1.735 -1.788 + 7003TIP3 H127318 -1.071 1.694 -1.718 + 7003TIP3 H227319 -1.061 1.780 -1.841 + 7004TIP3 OH227320 -2.248 1.993 -1.569 + 7004TIP3 H127321 -2.184 1.942 -1.516 + 7004TIP3 H227322 -2.240 1.947 -1.655 + 7005TIP3 OH227323 -1.713 2.132 -1.616 + 7005TIP3 H127324 -1.639 2.079 -1.581 + 7005TIP3 H227325 -1.759 2.067 -1.672 + 7006TIP3 OH227326 -2.039 1.632 -1.195 + 7006TIP3 H127327 -2.063 1.693 -1.267 + 7006TIP3 H227328 -2.114 1.642 -1.135 + 7007TIP3 OH227329 -1.286 2.573 -1.863 + 7007TIP3 H127330 -1.314 2.555 -1.954 + 7007TIP3 H227331 -1.328 2.659 -1.845 + 7008TIP3 OH227332 -1.741 2.387 -1.191 + 7008TIP3 H127333 -1.814 2.447 -1.167 + 7008TIP3 H227334 -1.677 2.447 -1.234 + 7009TIP3 OH227335 -0.948 1.661 -1.582 + 7009TIP3 H127336 -0.978 1.593 -1.519 + 7009TIP3 H227337 -0.893 1.716 -1.523 + 7010TIP3 OH227338 -2.073 1.803 -1.413 + 7010TIP3 H127339 -2.010 1.862 -1.367 + 7010TIP3 H227340 -2.019 1.776 -1.490 + 7011TIP3 OH227341 -1.946 2.575 -1.125 + 7011TIP3 H127342 -1.944 2.670 -1.145 + 7011TIP3 H227343 -2.027 2.570 -1.071 + 7012TIP3 OH227344 -2.314 2.546 -2.027 + 7012TIP3 H127345 -2.328 2.590 -2.113 + 7012TIP3 H227346 -2.295 2.620 -1.967 + 7013TIP3 OH227347 -0.965 2.690 -1.354 + 7013TIP3 H127348 -1.061 2.701 -1.352 + 7013TIP3 H227349 -0.937 2.776 -1.389 + 7014TIP3 OH227350 -1.634 1.332 -1.487 + 7014TIP3 H127351 -1.653 1.238 -1.474 + 7014TIP3 H227352 -1.717 1.375 -1.457 + 7015TIP3 OH227353 -1.133 2.882 -1.695 + 7015TIP3 H127354 -1.083 2.806 -1.729 + 7015TIP3 H227355 -1.069 2.955 -1.709 + 7016TIP3 OH227356 -0.987 2.666 -1.836 + 7016TIP3 H127357 -1.043 2.623 -1.902 + 7016TIP3 H227358 -0.996 2.605 -1.760 + 7017TIP3 OH227359 -0.842 2.547 -0.987 + 7017TIP3 H127360 -0.849 2.485 -1.061 + 7017TIP3 H227361 -0.830 2.633 -1.032 + 7018TIP3 OH227362 -1.413 2.242 -2.016 + 7018TIP3 H127363 -1.477 2.305 -2.054 + 7018TIP3 H227364 -1.339 2.250 -2.079 + 7019TIP3 OH227365 -1.379 2.053 -2.307 + 7019TIP3 H127366 -1.312 2.091 -2.247 + 7019TIP3 H227367 -1.323 2.007 -2.370 + 7020TIP3 OH227368 -0.641 2.183 -1.173 + 7020TIP3 H127369 -0.726 2.232 -1.176 + 7020TIP3 H227370 -0.605 2.205 -1.261 + 7021TIP3 OH227371 -1.059 2.241 -1.908 + 7021TIP3 H127372 -1.126 2.264 -1.840 + 7021TIP3 H227373 -0.998 2.186 -1.855 + 7022TIP3 OH227374 -1.069 2.088 -1.003 + 7022TIP3 H127375 -1.060 2.173 -0.958 + 7022TIP3 H227376 -1.131 2.112 -1.074 + 7023TIP3 OH227377 -1.907 2.319 -1.725 + 7023TIP3 H127378 -1.933 2.278 -1.810 + 7023TIP3 H227379 -1.837 2.257 -1.695 + 7024TIP3 OH227380 -1.768 2.654 -1.455 + 7024TIP3 H127381 -1.770 2.623 -1.546 + 7024TIP3 H227382 -1.686 2.614 -1.422 + 7025TIP3 OH227383 -1.854 2.203 -1.378 + 7025TIP3 H127384 -1.795 2.199 -1.456 + 7025TIP3 H227385 -1.807 2.264 -1.318 + 7026TIP3 OH227386 -1.247 2.751 -1.323 + 7026TIP3 H127387 -1.244 2.820 -1.255 + 7026TIP3 H227388 -1.267 2.670 -1.273 + 7027TIP3 OH227389 -1.757 2.633 -0.894 + 7027TIP3 H127390 -1.809 2.702 -0.849 + 7027TIP3 H227391 -1.819 2.606 -0.964 + 7028TIP3 OH227392 -1.164 2.187 -2.162 + 7028TIP3 H127393 -1.117 2.215 -2.081 + 7028TIP3 H227394 -1.114 2.238 -2.231 + 7029TIP3 OH227395 -2.066 2.276 -0.992 + 7029TIP3 H127396 -2.057 2.326 -0.909 + 7029TIP3 H227397 -2.161 2.256 -0.993 + 7030TIP3 OH227398 -1.414 2.848 -1.805 + 7030TIP3 H127399 -1.368 2.876 -1.724 + 7030TIP3 H227400 -1.476 2.921 -1.820 + 7031TIP3 OH227401 -1.943 2.845 -0.818 + 7031TIP3 H127402 -1.958 2.857 -0.913 + 7031TIP3 H227403 -2.033 2.825 -0.783 + 7032TIP3 OH227404 -0.824 1.362 -2.217 + 7032TIP3 H127405 -0.906 1.373 -2.167 + 7032TIP3 H227406 -0.783 1.450 -2.209 + 7033TIP3 OH227407 -2.008 2.196 -1.978 + 7033TIP3 H127408 -2.028 2.271 -2.038 + 7033TIP3 H227409 -2.072 2.130 -2.008 + 7034TIP3 OH227410 -0.681 2.774 -2.359 + 7034TIP3 H127411 -0.667 2.868 -2.336 + 7034TIP3 H227412 -0.594 2.735 -2.337 + 7035TIP3 OH227413 -2.398 2.453 -1.145 + 7035TIP3 H127414 -2.479 2.425 -1.190 + 7035TIP3 H227415 -2.376 2.372 -1.097 + 7036TIP3 OH227416 -0.560 2.813 -0.838 + 7036TIP3 H127417 -0.572 2.717 -0.848 + 7036TIP3 H227418 -0.649 2.838 -0.803 + 7037TIP3 OH227419 -1.491 2.736 -0.952 + 7037TIP3 H127420 -1.482 2.820 -0.902 + 7037TIP3 H227421 -1.582 2.709 -0.930 + 7038TIP3 OH227422 -2.081 3.028 -1.800 + 7038TIP3 H127423 -2.067 2.991 -1.711 + 7038TIP3 H227424 -2.170 2.997 -1.821 + 7039TIP3 OH227425 -1.124 3.064 -2.241 + 7039TIP3 H127426 -1.072 2.993 -2.283 + 7039TIP3 H227427 -1.139 3.030 -2.151 + 7040TIP3 OH227428 -1.200 3.004 -1.963 + 7040TIP3 H127429 -1.293 3.027 -1.949 + 7040TIP3 H227430 -1.187 2.937 -1.894 + 7041TIP3 OH227431 -2.181 2.614 -0.977 + 7041TIP3 H127432 -2.153 2.568 -0.895 + 7041TIP3 H227433 -2.248 2.556 -1.014 + 7042TIP3 OH227434 -1.864 1.476 -1.422 + 7042TIP3 H127435 -1.945 1.426 -1.432 + 7042TIP3 H227436 -1.896 1.567 -1.413 + 7043TIP3 OH227437 -1.431 1.396 -1.016 + 7043TIP3 H127438 -1.379 1.369 -0.938 + 7043TIP3 H227439 -1.516 1.356 -0.995 + 7044TIP3 OH227440 -1.144 1.790 -0.962 + 7044TIP3 H127441 -1.145 1.772 -0.867 + 7044TIP3 H227442 -1.111 1.882 -0.967 + 7045TIP3 OH227443 -1.008 2.291 -2.362 + 7045TIP3 H127444 -1.028 2.277 -2.457 + 7045TIP3 H227445 -0.915 2.321 -2.366 + 7046TIP3 OH227446 -1.452 1.646 -2.326 + 7046TIP3 H127447 -1.495 1.668 -2.242 + 7046TIP3 H227448 -1.507 1.572 -2.353 + 7047TIP3 OH227449 -1.881 1.939 -1.265 + 7047TIP3 H127450 -1.934 1.949 -1.184 + 7047TIP3 H227451 -1.871 2.031 -1.296 + 7048TIP3 OH227452 -1.882 1.958 -1.780 + 7048TIP3 H127453 -1.978 1.950 -1.798 + 7048TIP3 H227454 -1.846 1.935 -1.868 + 7049TIP3 OH227455 -1.323 2.006 -1.897 + 7049TIP3 H127456 -1.363 2.089 -1.931 + 7049TIP3 H227457 -1.253 1.991 -1.963 + 7050TIP3 OH227458 -1.404 2.027 -0.753 + 7050TIP3 H127459 -1.451 1.944 -0.728 + 7050TIP3 H227460 -1.316 2.012 -0.715 + 7051TIP3 OH227461 -1.236 1.946 -1.618 + 7051TIP3 H127462 -1.264 2.003 -1.692 + 7051TIP3 H227463 -1.213 1.865 -1.668 + 7052TIP3 OH227464 -2.145 1.944 -1.084 + 7052TIP3 H127465 -2.115 1.977 -0.998 + 7052TIP3 H227466 -2.214 1.880 -1.059 + 7053TIP3 OH227467 -1.790 1.694 -2.421 + 7053TIP3 H127468 -1.833 1.663 -2.339 + 7053TIP3 H227469 -1.865 1.727 -2.471 + 7054TIP3 OH227470 -2.447 1.711 -1.708 + 7054TIP3 H127471 -2.386 1.686 -1.635 + 7054TIP3 H227472 -2.409 1.666 -1.785 + 7055TIP3 OH227473 -2.297 1.748 -2.143 + 7055TIP3 H127474 -2.243 1.796 -2.209 + 7055TIP3 H227475 -2.368 1.812 -2.126 + 7056TIP3 OH227476 -1.320 2.115 -1.167 + 7056TIP3 H127477 -1.278 2.043 -1.219 + 7056TIP3 H227478 -1.353 2.066 -1.090 + 7057TIP3 OH227479 -1.605 1.706 -1.671 + 7057TIP3 H127480 -1.699 1.706 -1.650 + 7057TIP3 H227481 -1.565 1.687 -1.584 + 7058TIP3 OH227482 -2.144 1.832 -1.810 + 7058TIP3 H127483 -2.229 1.854 -1.852 + 7058TIP3 H227484 -2.119 1.748 -1.853 + 7059TIP3 OH227485 -1.784 1.864 -2.035 + 7059TIP3 H127486 -1.687 1.875 -2.030 + 7059TIP3 H227487 -1.811 1.921 -2.108 + 7060TIP3 OH227488 -1.168 1.618 -1.369 + 7060TIP3 H127489 -1.237 1.630 -1.301 + 7060TIP3 H227490 -1.222 1.588 -1.444 + 7061TIP3 OH227491 -1.936 1.982 -2.259 + 7061TIP3 H127492 -1.997 1.961 -2.333 + 7061TIP3 H227493 -1.857 2.008 -2.309 + 7062TIP3 OH227494 -0.865 3.199 -0.702 + 7062TIP3 H127495 -0.844 3.246 -0.785 + 7062TIP3 H227496 -0.795 3.232 -0.643 + 7063TIP3 OH227497 -2.073 2.462 -0.759 + 7063TIP3 H127498 -2.007 2.474 -0.688 + 7063TIP3 H227499 -2.154 2.459 -0.704 + 7064TIP3 OH227500 -1.505 1.961 -1.492 + 7064TIP3 H127501 -1.428 1.921 -1.535 + 7064TIP3 H227502 -1.519 1.902 -1.415 + 7065TIP3 OH227503 -1.985 1.595 -1.870 + 7065TIP3 H127504 -2.033 1.515 -1.844 + 7065TIP3 H227505 -1.905 1.560 -1.910 + 7066TIP3 OH227506 -1.603 1.809 -1.264 + 7066TIP3 H127507 -1.683 1.865 -1.263 + 7066TIP3 H227508 -1.557 1.837 -1.182 + 7067TIP3 OH227509 -1.594 2.449 -2.077 + 7067TIP3 H127510 -1.671 2.399 -2.111 + 7067TIP3 H227511 -1.613 2.453 -1.980 + 7068TIP3 OH227512 -0.869 2.360 -1.201 + 7068TIP3 H127513 -0.819 2.414 -1.265 + 7068TIP3 H227514 -0.955 2.350 -1.248 + 7069TIP3 OH227515 -1.183 1.729 -2.297 + 7069TIP3 H127516 -1.281 1.730 -2.303 + 7069TIP3 H227517 -1.162 1.803 -2.237 + 7070TIP3 OH227518 -1.431 2.447 -0.944 + 7070TIP3 H127519 -1.457 2.418 -0.856 + 7070TIP3 H227520 -1.457 2.540 -0.944 + 7071TIP3 OH227521 -1.109 1.911 -2.096 + 7071TIP3 H127522 -1.022 1.895 -2.054 + 7071TIP3 H227523 -1.098 2.001 -2.134 + 7072TIP3 OH227524 -2.088 2.388 -1.500 + 7072TIP3 H127525 -2.021 2.375 -1.571 + 7072TIP3 H227526 -2.079 2.303 -1.452 + 7073TIP3 OH227527 -1.352 2.580 -2.180 + 7073TIP3 H127528 -1.378 2.668 -2.146 + 7073TIP3 H227529 -1.429 2.527 -2.155 + 7074TIP3 OH227530 -2.353 2.218 -0.964 + 7074TIP3 H127531 -2.337 2.175 -0.877 + 7074TIP3 H227532 -2.411 2.154 -1.008 + 7075TIP3 OH227533 -1.654 2.172 -0.769 + 7075TIP3 H127534 -1.689 2.144 -0.855 + 7075TIP3 H227535 -1.564 2.136 -0.774 + 7076TIP3 OH227536 -1.201 2.702 -0.996 + 7076TIP3 H127537 -1.297 2.716 -1.002 + 7076TIP3 H227538 -1.183 2.731 -0.905 + 7077TIP3 OH227539 -0.650 1.912 -2.117 + 7077TIP3 H127540 -0.705 1.892 -2.195 + 7077TIP3 H227541 -0.638 2.008 -2.132 + 7078TIP3 OH227542 -0.608 2.512 -0.845 + 7078TIP3 H127543 -0.702 2.534 -0.861 + 7078TIP3 H227544 -0.576 2.503 -0.937 + 7079TIP3 OH227545 -0.831 2.773 -2.110 + 7079TIP3 H127546 -0.850 2.696 -2.055 + 7079TIP3 H227547 -0.775 2.736 -2.180 + 7080TIP3 OH227548 -1.102 2.307 -1.372 + 7080TIP3 H127549 -1.196 2.291 -1.395 + 7080TIP3 H227550 -1.059 2.233 -1.420 + 7081TIP3 OH227551 -1.844 2.717 -1.763 + 7081TIP3 H127552 -1.796 2.800 -1.779 + 7081TIP3 H227553 -1.931 2.740 -1.797 + 7082TIP3 OH227554 -2.240 2.194 -2.303 + 7082TIP3 H127555 -2.183 2.264 -2.267 + 7082TIP3 H227556 -2.329 2.226 -2.276 + 7083TIP3 OH227557 -1.658 2.483 -1.804 + 7083TIP3 H127558 -1.684 2.575 -1.791 + 7083TIP3 H227559 -1.730 2.436 -1.761 + 7084TIP3 OH227560 -1.641 2.909 -1.169 + 7084TIP3 H127561 -1.587 2.986 -1.198 + 7084TIP3 H227562 -1.578 2.862 -1.113 + 7085TIP3 OH227563 -1.792 3.004 -1.846 + 7085TIP3 H127564 -1.888 3.020 -1.847 + 7085TIP3 H227565 -1.761 3.094 -1.826 + 7086TIP3 OH227566 -1.299 2.483 -1.211 + 7086TIP3 H127567 -1.328 2.457 -1.122 + 7086TIP3 H227568 -1.225 2.422 -1.228 + 7087TIP3 OH227569 -1.083 2.612 -2.321 + 7087TIP3 H127570 -1.041 2.569 -2.245 + 7087TIP3 H227571 -1.176 2.600 -2.296 + 7088TIP3 OH227572 -1.005 2.941 -0.974 + 7088TIP3 H127573 -1.082 2.897 -1.017 + 7088TIP3 H227574 -0.995 3.021 -1.027 + 7089TIP3 OH227575 -0.608 3.040 -2.270 + 7089TIP3 H127576 -0.541 3.107 -2.292 + 7089TIP3 H227577 -0.686 3.099 -2.263 + 7090TIP3 OH227578 -0.986 2.475 -2.083 + 7090TIP3 H127579 -1.012 2.404 -2.022 + 7090TIP3 H227580 -0.889 2.475 -2.073 + 7091TIP3 OH227581 -2.244 2.852 -1.168 + 7091TIP3 H127582 -2.210 2.764 -1.147 + 7091TIP3 H227583 -2.227 2.898 -1.085 + 7092TIP3 OH227584 -1.662 2.717 -2.465 + 7092TIP3 H127585 -1.633 2.638 -2.513 + 7092TIP3 H227586 -1.704 2.680 -2.386 + 7093TIP3 OH227587 -1.779 2.684 -2.180 + 7093TIP3 H127588 -1.720 2.631 -2.125 + 7093TIP3 H227589 -1.752 2.775 -2.159 + 7094TIP3 OH227590 -2.090 2.416 -2.150 + 7094TIP3 H127591 -2.164 2.457 -2.101 + 7094TIP3 H227592 -2.044 2.495 -2.183 + 7095TIP3 OH227593 -1.313 1.646 -1.144 + 7095TIP3 H127594 -1.261 1.684 -1.070 + 7095TIP3 H227595 -1.371 1.581 -1.100 + 7096TIP3 OH227596 -1.258 1.605 -2.026 + 7096TIP3 H127597 -1.238 1.661 -2.102 + 7096TIP3 H227598 -1.217 1.655 -1.953 + 7097TIP3 OH227599 -1.493 2.829 -2.127 + 7097TIP3 H127600 -1.569 2.888 -2.112 + 7097TIP3 H227601 -1.438 2.887 -2.182 + 7098TIP3 OH227602 -1.517 1.805 -1.929 + 7098TIP3 H127603 -1.443 1.868 -1.915 + 7098TIP3 H227604 -1.547 1.789 -1.838 + 7099TIP3 OH227605 -1.481 1.896 -1.015 + 7099TIP3 H127606 -1.478 1.947 -0.933 + 7099TIP3 H227607 -1.424 1.821 -0.995 + 7100TIP3 OH227608 -1.460 1.507 -1.833 + 7100TIP3 H127609 -1.482 1.575 -1.767 + 7100TIP3 H227610 -1.387 1.550 -1.882 + 7101TIP3 OH227611 -1.747 2.970 -2.138 + 7101TIP3 H127612 -1.734 3.054 -2.185 + 7101TIP3 H227613 -1.764 3.003 -2.048 + 7102TIP3 OH227614 -1.890 1.612 -2.179 + 7102TIP3 H127615 -1.888 1.690 -2.121 + 7102TIP3 H227616 -1.809 1.565 -2.150 + 7103TIP3 OH227617 -0.819 1.683 -0.968 + 7103TIP3 H127618 -0.912 1.702 -0.955 + 7103TIP3 H227619 -0.807 1.703 -1.061 + 7104TIP3 OH227620 -1.000 2.078 -1.520 + 7104TIP3 H127621 -1.082 2.033 -1.548 + 7104TIP3 H227622 -0.952 2.007 -1.473 + 7105TIP3 OH227623 -2.049 2.693 -2.274 + 7105TIP3 H127624 -1.976 2.744 -2.235 + 7105TIP3 H227625 -2.000 2.647 -2.345 + 7106TIP3 OH227626 -2.234 1.916 -2.363 + 7106TIP3 H127627 -2.223 2.010 -2.339 + 7106TIP3 H227628 -2.320 1.915 -2.406 + 7107TIP3 OH227629 -0.899 2.967 -1.383 + 7107TIP3 H127630 -0.919 3.047 -1.435 + 7107TIP3 H227631 -0.806 2.983 -1.361 + 7108TIP3 OH227632 -2.257 2.763 -1.852 + 7108TIP3 H127633 -2.332 2.823 -1.839 + 7108TIP3 H227634 -2.207 2.812 -1.918 + 7109TIP3 OH227635 -2.310 3.058 -0.743 + 7109TIP3 H127636 -2.253 3.031 -0.668 + 7109TIP3 H227637 -2.350 2.973 -0.770 + 7110TIP3 OH227638 -1.849 2.962 -0.564 + 7110TIP3 H127639 -1.775 2.904 -0.539 + 7110TIP3 H227640 -1.863 2.937 -0.656 + 7111TIP3 OH227641 -1.436 2.882 -2.423 + 7111TIP3 H127642 -1.515 2.824 -2.424 + 7111TIP3 H227643 -1.370 2.821 -2.458 + 7112TIP3 OH227644 -1.197 2.789 -0.708 + 7112TIP3 H127645 -1.234 2.709 -0.666 + 7112TIP3 H227646 -1.127 2.815 -0.645 + 7113TIP3 OH227647 -0.974 2.878 -2.404 + 7113TIP3 H127648 -0.956 2.798 -2.352 + 7113TIP3 H227649 -0.895 2.885 -2.460 + 7114TIP3 OH227650 -2.315 2.425 -0.631 + 7114TIP3 H127651 -2.307 2.332 -0.658 + 7114TIP3 H227652 -2.394 2.453 -0.681 + 7115TIP3 OH227653 -1.895 2.465 -2.427 + 7115TIP3 H127654 -1.876 2.403 -2.354 + 7115TIP3 H227655 -1.810 2.463 -2.475 + 7116TIP3 OH227656 -1.649 2.447 -0.692 + 7116TIP3 H127657 -1.679 2.481 -0.777 + 7116TIP3 H227658 -1.643 2.351 -0.708 + 7117TIP3 OH227659 -1.371 2.595 -2.468 + 7117TIP3 H127660 -1.375 2.591 -2.371 + 7117TIP3 H227661 -1.376 2.500 -2.489 + 7118TIP3 OH227662 -1.114 2.396 -0.946 + 7118TIP3 H127663 -1.037 2.450 -0.970 + 7118TIP3 H227664 -1.185 2.461 -0.954 + 7119TIP3 OH227665 -2.224 2.139 -0.716 + 7119TIP3 H127666 -2.155 2.070 -0.711 + 7119TIP3 H227667 -2.236 2.156 -0.622 + 7120TIP3 OH227668 -1.786 2.271 -2.195 + 7120TIP3 H127669 -1.847 2.220 -2.140 + 7120TIP3 H227670 -1.756 2.203 -2.259 + 7121TIP3 OH227671 -1.866 2.047 -0.975 + 7121TIP3 H127672 -1.916 2.126 -0.948 + 7121TIP3 H227673 -1.797 2.085 -1.033 + 7122TIP3 OH227674 -1.692 2.071 -2.370 + 7122TIP3 H127675 -1.697 2.081 -2.467 + 7122TIP3 H227676 -1.595 2.070 -2.356 + 7123TIP3 OH227677 -1.325 2.327 -0.608 + 7123TIP3 H127678 -1.240 2.302 -0.649 + 7123TIP3 H227679 -1.362 2.241 -0.585 + 7124TIP3 OH227680 -0.738 2.325 -2.437 + 7124TIP3 H127681 -0.749 2.284 -2.524 + 7124TIP3 H227682 -0.750 2.419 -2.460 + 7125TIP3 OH227683 -1.806 1.776 -0.859 + 7125TIP3 H127684 -1.792 1.711 -0.930 + 7125TIP3 H227685 -1.821 1.858 -0.910 + 7126TIP3 OH227686 -1.766 1.619 -1.108 + 7126TIP3 H127687 -1.711 1.666 -1.173 + 7126TIP3 H227688 -1.855 1.626 -1.147 + 7127TIP3 OH227689 -1.615 2.167 -1.074 + 7127TIP3 H127690 -1.530 2.161 -1.119 + 7127TIP3 H227691 -1.645 2.256 -1.101 + 7128TIP3 OH227692 -1.163 1.962 -0.588 + 7128TIP3 H127693 -1.125 1.874 -0.576 + 7128TIP3 H227694 -1.083 2.014 -0.603 + 7129TIP3 OH227695 -1.058 2.238 -0.721 + 7129TIP3 H127696 -1.087 2.301 -0.790 + 7129TIP3 H227697 -0.965 2.226 -0.748 + 7130TIP3 OH227698 -1.982 1.957 -0.675 + 7130TIP3 H127699 -2.042 1.882 -0.671 + 7130TIP3 H227700 -1.903 1.920 -0.719 + 7131TIP3 OH227701 -1.741 1.337 -1.054 + 7131TIP3 H127702 -1.720 1.431 -1.043 + 7131TIP3 H227703 -1.771 1.335 -1.145 + 7132TIP3 OH227704 -1.551 1.804 -0.707 + 7132TIP3 H127705 -1.579 1.781 -0.617 + 7132TIP3 H227706 -1.631 1.779 -0.757 + 7133TIP3 OH227707 -2.141 1.690 -0.705 + 7133TIP3 H127708 -2.114 1.610 -0.750 + 7133TIP3 H227709 -2.141 1.658 -0.612 + 7134TIP3 OH227710 -1.679 1.458 -0.585 + 7134TIP3 H127711 -1.631 1.417 -0.658 + 7134TIP3 H227712 -1.691 1.550 -0.609 + 7135TIP3 OH227713 -2.322 2.632 -2.300 + 7135TIP3 H127714 -2.227 2.656 -2.293 + 7135TIP3 H227715 -2.320 2.560 -2.365 + 7136TIP3 OH227716 -2.422 3.152 -1.833 + 7136TIP3 H127717 -2.495 3.117 -1.887 + 7136TIP3 H227718 -2.415 3.087 -1.762 + 7137TIP3 OH227719 -2.384 2.954 -1.628 + 7137TIP3 H127720 -2.427 2.875 -1.594 + 7137TIP3 H227721 -2.347 2.992 -1.546 + 7138TIP3 OH227722 -0.615 3.071 -1.336 + 7138TIP3 H127723 -0.611 3.081 -1.240 + 7138TIP3 H227724 -0.544 3.130 -1.365 + 7139TIP3 OH227725 -0.639 3.028 -1.048 + 7139TIP3 H127726 -0.692 2.953 -1.082 + 7139TIP3 H227727 -0.587 2.983 -0.979 + 7140TIP3 OH227728 -0.852 2.574 -0.611 + 7140TIP3 H127729 -0.922 2.569 -0.546 + 7140TIP3 H227730 -0.796 2.647 -0.576 + 7141TIP3 OH227731 -0.696 2.462 -2.044 + 7141TIP3 H127732 -0.607 2.497 -2.024 + 7141TIP3 H227733 -0.706 2.399 -1.970 + 7142TIP3 OH227734 -0.649 2.257 -1.842 + 7142TIP3 H127735 -0.720 2.203 -1.803 + 7142TIP3 H227736 -0.584 2.265 -1.770 + 7143TIP3 OH227737 -0.679 2.505 -1.345 + 7143TIP3 H127738 -0.617 2.457 -1.403 + 7143TIP3 H227739 -0.672 2.596 -1.378 + 7144TIP3 OH227740 -0.810 2.797 -1.122 + 7144TIP3 H127741 -0.882 2.839 -1.073 + 7144TIP3 H227742 -0.857 2.763 -1.202 + 7145TIP3 OH227743 -0.631 2.202 -2.187 + 7145TIP3 H127744 -0.680 2.231 -2.266 + 7145TIP3 H227745 -0.642 2.279 -2.129 + 7146TIP3 OH227746 -0.803 1.959 -2.362 + 7146TIP3 H127747 -0.776 2.019 -2.433 + 7146TIP3 H227748 -0.825 1.877 -2.410 + 7147TIP3 OH227749 -0.863 2.072 -1.765 + 7147TIP3 H127750 -0.867 1.976 -1.780 + 7147TIP3 H227751 -0.898 2.081 -1.674 + 7148TIP3 OH227752 -0.778 2.242 -0.819 + 7148TIP3 H127753 -0.702 2.183 -0.819 + 7148TIP3 H227754 -0.739 2.326 -0.849 + 7149TIP3 OH227755 -0.854 1.693 -2.439 + 7149TIP3 H127756 -0.791 1.645 -2.382 + 7149TIP3 H227757 -0.932 1.636 -2.441 + 7150TIP3 OH227758 -0.876 1.820 -1.946 + 7150TIP3 H127759 -0.850 1.726 -1.940 + 7150TIP3 H227760 -0.795 1.857 -1.987 + 7151TIP3 OH227761 -0.848 1.880 -1.400 + 7151TIP3 H127762 -0.751 1.888 -1.403 + 7151TIP3 H227763 -0.861 1.881 -1.304 + 7152TIP3 OH227764 -0.840 1.946 -1.127 + 7152TIP3 H127765 -0.909 1.991 -1.076 + 7152TIP3 H227766 -0.770 2.013 -1.131 + 7153TIP3 OH227767 -2.408 1.790 -0.756 + 7153TIP3 H127768 -2.315 1.765 -0.736 + 7153TIP3 H227769 -2.455 1.709 -0.731 + 7154TIP3 OH227770 -0.826 1.541 -1.948 + 7154TIP3 H127771 -0.814 1.507 -1.857 + 7154TIP3 H227772 -0.905 1.492 -1.976 + 7155TIP3 OH227773 -2.291 1.625 -1.479 + 7155TIP3 H127774 -2.241 1.543 -1.467 + 7155TIP3 H227775 -2.230 1.692 -1.444 + 7156TIP3 OH227776 -2.453 1.928 -1.376 + 7156TIP3 H127777 -2.394 1.927 -1.453 + 7156TIP3 H227778 -2.409 1.990 -1.317 + 7157TIP3 OH227779 -0.631 1.590 -2.285 + 7157TIP3 H127780 -0.598 1.510 -2.328 + 7157TIP3 H227781 -0.549 1.641 -2.271 + 7158TIP3 OH227782 -2.406 1.569 -1.955 + 7158TIP3 H127783 -2.499 1.566 -1.982 + 7158TIP3 H227784 -2.364 1.622 -2.026 + 7159TIP3 OH227785 -0.938 3.078 -1.755 + 7159TIP3 H127786 -0.889 3.063 -1.837 + 7159TIP3 H227787 -0.875 3.128 -1.702 + 7160TIP3 OH227788 -2.200 2.760 -0.679 + 7160TIP3 H127789 -2.272 2.760 -0.744 + 7160TIP3 H227790 -2.247 2.755 -0.595 + 7161TIP3 OH227791 -1.917 2.857 -1.117 + 7161TIP3 H127792 -1.948 2.944 -1.150 + 7161TIP3 H227793 -1.821 2.868 -1.132 + 7162TIP3 OH227794 -1.465 2.986 -0.812 + 7162TIP3 H127795 -1.452 2.975 -0.717 + 7162TIP3 H227796 -1.384 3.034 -0.838 + 7163TIP3 OH227797 -1.238 3.134 -0.889 + 7163TIP3 H127798 -1.168 3.070 -0.911 + 7163TIP3 H227799 -1.208 3.166 -0.802 + 7164TIP3 OH227800 -2.183 3.149 -1.080 + 7164TIP3 H127801 -2.239 3.215 -1.126 + 7164TIP3 H227802 -2.214 3.161 -0.989 + 7165TIP3 OH227803 -1.932 3.128 -1.227 + 7165TIP3 H127804 -2.015 3.153 -1.183 + 7165TIP3 H227805 -1.923 3.199 -1.294 + 7166TIP3 OH227806 -1.457 3.131 -1.269 + 7166TIP3 H127807 -1.491 3.175 -1.349 + 7166TIP3 H227808 -1.446 3.207 -1.209 + 7167TIP3 OH227809 -1.223 3.002 -1.179 + 7167TIP3 H127810 -1.308 3.039 -1.211 + 7167TIP3 H227811 -1.167 3.081 -1.179 + 7168TIP3 OH227812 -0.968 3.175 -1.159 + 7168TIP3 H127813 -0.974 3.270 -1.179 + 7168TIP3 H227814 -0.943 3.140 -1.246 + 7169TIP3 OH227815 -2.226 3.030 -1.390 + 7169TIP3 H127816 -2.229 2.981 -1.305 + 7169TIP3 H227817 -2.144 2.993 -1.428 + 7170TIP3 OH227818 -2.020 2.910 -1.541 + 7170TIP3 H127819 -2.028 2.816 -1.518 + 7170TIP3 H227820 -1.928 2.931 -1.515 + 7171TIP3 OH227821 -1.749 2.953 -1.453 + 7171TIP3 H127822 -1.723 2.862 -1.475 + 7171TIP3 H227823 -1.737 2.954 -1.357 + 7172TIP3 OH227824 -1.419 1.535 -1.519 + 7172TIP3 H127825 -1.485 1.465 -1.506 + 7172TIP3 H227826 -1.356 1.491 -1.579 + 7173TIP3 OH227827 -0.924 1.362 -1.462 + 7173TIP3 H127828 -0.838 1.370 -1.505 + 7173TIP3 H227829 -0.986 1.362 -1.537 + 7174TIP3 OH227830 -0.713 1.454 -1.688 + 7174TIP3 H127831 -0.639 1.411 -1.735 + 7174TIP3 H227832 -0.679 1.545 -1.676 + 7175TIP3 OH227833 -2.167 1.417 -1.730 + 7175TIP3 H127834 -2.253 1.405 -1.774 + 7175TIP3 H227835 -2.129 1.328 -1.737 + 7176TIP3 OH227836 -2.294 1.365 -2.181 + 7176TIP3 H127837 -2.244 1.431 -2.232 + 7176TIP3 H227838 -2.335 1.418 -2.111 + 7177TIP3 OH227839 -1.730 1.393 -1.778 + 7177TIP3 H127840 -1.637 1.420 -1.790 + 7177TIP3 H227841 -1.734 1.380 -1.683 + 7178TIP3 OH227842 -1.174 1.404 -1.639 + 7178TIP3 H127843 -1.138 1.389 -1.727 + 7178TIP3 H227844 -1.207 1.316 -1.615 + 7179TIP3 OH227845 -1.058 1.401 -2.044 + 7179TIP3 H127846 -1.140 1.453 -2.053 + 7179TIP3 H227847 -1.093 1.314 -2.016 + 7180TIP3 OH227848 -2.281 2.958 -2.059 + 7180TIP3 H127849 -2.340 2.950 -2.136 + 7180TIP3 H227850 -2.276 3.055 -2.053 + 7181TIP3 OH227851 -2.123 1.548 -2.336 + 7181TIP3 H127852 -2.061 1.493 -2.387 + 7181TIP3 H227853 -2.065 1.582 -2.265 + 7182TIP3 OH227854 -1.608 1.561 -2.078 + 7182TIP3 H127855 -1.581 1.505 -2.003 + 7182TIP3 H227856 -1.593 1.649 -2.039 + 7183TIP3 OH227857 -1.401 3.109 -2.252 + 7183TIP3 H127858 -1.307 3.126 -2.262 + 7183TIP3 H227859 -1.423 3.056 -2.330 + 7184TIP3 OH227860 -0.755 3.047 -1.994 + 7184TIP3 H127861 -0.781 2.964 -2.038 + 7184TIP3 H227862 -0.769 3.112 -2.065 + 7185TIP3 OH227863 -2.139 3.046 -2.383 + 7185TIP3 H127864 -2.153 3.086 -2.296 + 7185TIP3 H227865 -2.053 3.002 -2.372 + 7186TIP3 OH227866 -0.809 2.923 -0.753 + 7186TIP3 H127867 -0.884 2.902 -0.812 + 7186TIP3 H227868 -0.827 3.017 -0.733 + 7187TIP3 OH227869 0.497 2.233 -1.443 + 7187TIP3 H127870 0.489 2.176 -1.365 + 7187TIP3 H227871 0.474 2.173 -1.515 + 7188TIP3 OH227872 -0.266 2.168 -1.250 + 7188TIP3 H127873 -0.247 2.105 -1.180 + 7188TIP3 H227874 -0.185 2.222 -1.249 + 7189TIP3 OH227875 0.878 2.518 -1.603 + 7189TIP3 H127876 0.829 2.442 -1.570 + 7189TIP3 H227877 0.894 2.569 -1.522 + 7190TIP3 OH227878 -0.167 2.673 -1.445 + 7190TIP3 H127879 -0.212 2.586 -1.452 + 7190TIP3 H227880 -0.099 2.649 -1.380 + 7191TIP3 OH227881 -0.497 1.997 -1.878 + 7191TIP3 H127882 -0.536 2.085 -1.872 + 7191TIP3 H227883 -0.567 1.948 -1.924 + 7192TIP3 OH227884 -0.402 2.227 -1.676 + 7192TIP3 H127885 -0.383 2.144 -1.629 + 7192TIP3 H227886 -0.324 2.234 -1.733 + 7193TIP3 OH227887 0.570 3.045 -1.543 + 7193TIP3 H127888 0.627 2.974 -1.580 + 7193TIP3 H227889 0.548 3.006 -1.457 + 7194TIP3 OH227890 0.340 2.486 -1.377 + 7194TIP3 H127891 0.372 2.420 -1.440 + 7194TIP3 H227892 0.423 2.500 -1.327 + 7195TIP3 OH227893 1.213 1.642 -1.314 + 7195TIP3 H127894 1.235 1.705 -1.244 + 7195TIP3 H227895 1.274 1.673 -1.384 + 7196TIP3 OH227896 0.658 1.911 -1.335 + 7196TIP3 H127897 0.693 1.820 -1.338 + 7196TIP3 H227898 0.667 1.939 -1.427 + 7197TIP3 OH227899 -0.049 1.698 -1.615 + 7197TIP3 H127900 -0.036 1.792 -1.632 + 7197TIP3 H227901 -0.079 1.665 -1.701 + 7198TIP3 OH227902 0.757 1.739 -1.789 + 7198TIP3 H127903 0.813 1.700 -1.719 + 7198TIP3 H227904 0.824 1.783 -1.843 + 7199TIP3 OH227905 -0.326 1.970 -1.547 + 7199TIP3 H127906 -0.257 1.920 -1.503 + 7199TIP3 H227907 -0.325 1.930 -1.636 + 7200TIP3 OH227908 0.173 2.128 -1.611 + 7200TIP3 H127909 0.238 2.070 -1.567 + 7200TIP3 H227910 0.126 2.063 -1.666 + 7201TIP3 OH227911 1.289 1.784 -1.043 + 7201TIP3 H127912 1.228 1.851 -1.078 + 7201TIP3 H227913 1.242 1.756 -0.963 + 7202TIP3 OH227914 0.610 2.590 -1.859 + 7202TIP3 H127915 0.574 2.518 -1.911 + 7202TIP3 H227916 0.538 2.655 -1.852 + 7203TIP3 OH227917 0.147 2.385 -1.185 + 7203TIP3 H127918 0.070 2.444 -1.173 + 7203TIP3 H227919 0.210 2.442 -1.233 + 7204TIP3 OH227920 0.925 1.658 -1.574 + 7204TIP3 H127921 0.919 1.583 -1.515 + 7204TIP3 H227922 0.985 1.718 -1.526 + 7205TIP3 OH227923 -0.065 2.581 -1.148 + 7205TIP3 H127924 -0.063 2.678 -1.142 + 7205TIP3 H227925 -0.140 2.559 -1.089 + 7206TIP3 OH227926 -0.425 2.560 -2.022 + 7206TIP3 H127927 -0.443 2.599 -2.109 + 7206TIP3 H227928 -0.406 2.638 -1.967 + 7207TIP3 OH227929 0.920 2.691 -1.348 + 7207TIP3 H127930 0.823 2.701 -1.350 + 7207TIP3 H227931 0.948 2.775 -1.390 + 7208TIP3 OH227932 0.946 1.592 -1.200 + 7208TIP3 H127933 0.869 1.621 -1.252 + 7208TIP3 H227934 1.021 1.607 -1.260 + 7209TIP3 OH227935 0.748 2.884 -1.695 + 7209TIP3 H127936 0.791 2.800 -1.723 + 7209TIP3 H227937 0.819 2.949 -1.710 + 7210TIP3 OH227938 0.893 2.667 -1.839 + 7210TIP3 H127939 0.839 2.615 -1.901 + 7210TIP3 H227940 0.889 2.607 -1.761 + 7211TIP3 OH227941 1.047 2.553 -0.985 + 7211TIP3 H127942 1.040 2.485 -1.055 + 7211TIP3 H227943 1.062 2.634 -1.037 + 7212TIP3 OH227944 0.511 2.082 -2.309 + 7212TIP3 H127945 0.569 2.090 -2.232 + 7212TIP3 H227946 0.562 2.022 -2.365 + 7213TIP3 OH227947 1.228 2.168 -1.190 + 7213TIP3 H127948 1.155 2.233 -1.181 + 7213TIP3 H227949 1.274 2.204 -1.269 + 7214TIP3 OH227950 0.822 2.081 -1.015 + 7214TIP3 H127951 0.817 2.160 -0.958 + 7214TIP3 H227952 0.754 2.103 -1.080 + 7215TIP3 OH227953 -0.010 2.325 -1.735 + 7215TIP3 H127954 -0.046 2.274 -1.811 + 7215TIP3 H227955 0.051 2.261 -1.694 + 7216TIP3 OH227956 0.121 2.672 -1.501 + 7216TIP3 H127957 0.146 2.595 -1.555 + 7216TIP3 H227958 0.191 2.663 -1.433 + 7217TIP3 OH227959 0.024 2.210 -1.377 + 7217TIP3 H127960 0.089 2.186 -1.446 + 7217TIP3 H227961 0.081 2.253 -1.310 + 7218TIP3 OH227962 0.634 2.755 -1.324 + 7218TIP3 H127963 0.643 2.817 -1.250 + 7218TIP3 H227964 0.616 2.670 -1.279 + 7219TIP3 OH227965 0.131 2.634 -0.899 + 7219TIP3 H127966 0.081 2.700 -0.846 + 7219TIP3 H227967 0.065 2.608 -0.965 + 7220TIP3 OH227968 -0.188 2.310 -0.999 + 7220TIP3 H127969 -0.166 2.334 -0.907 + 7220TIP3 H227970 -0.275 2.270 -0.991 + 7221TIP3 OH227971 0.458 2.848 -1.803 + 7221TIP3 H127972 0.523 2.867 -1.734 + 7221TIP3 H227973 0.430 2.935 -1.834 + 7222TIP3 OH227974 -0.060 2.849 -0.815 + 7222TIP3 H127975 -0.073 2.853 -0.911 + 7222TIP3 H227976 -0.149 2.828 -0.780 + 7223TIP3 OH227977 1.066 1.355 -2.208 + 7223TIP3 H127978 0.977 1.371 -2.169 + 7223TIP3 H227979 1.102 1.445 -2.212 + 7224TIP3 OH227980 -0.126 2.197 -1.973 + 7224TIP3 H127981 -0.141 2.268 -2.037 + 7224TIP3 H227982 -0.186 2.128 -2.004 + 7225TIP3 OH227983 1.204 2.775 -2.361 + 7225TIP3 H127984 1.221 2.867 -2.334 + 7225TIP3 H227985 1.290 2.733 -2.340 + 7226TIP3 OH227986 -0.515 2.458 -1.104 + 7226TIP3 H127987 -0.560 2.463 -1.191 + 7226TIP3 H227988 -0.502 2.363 -1.096 + 7227TIP3 OH227989 -0.512 2.753 -1.413 + 7227TIP3 H127990 -0.420 2.730 -1.400 + 7227TIP3 H227991 -0.526 2.817 -1.341 + 7228TIP3 OH227992 1.328 2.815 -0.835 + 7228TIP3 H127993 1.318 2.720 -0.852 + 7228TIP3 H227994 1.237 2.838 -0.805 + 7229TIP3 OH227995 0.392 2.741 -0.959 + 7229TIP3 H127996 0.400 2.822 -0.905 + 7229TIP3 H227997 0.304 2.708 -0.933 + 7230TIP3 OH227998 0.417 3.117 -1.954 + 7230TIP3 H127999 0.422 3.123 -2.052 + 7230TIP3 H228000 0.426 3.210 -1.927 + 7231TIP3 OH228001 0.754 3.063 -2.239 + 7231TIP3 H128002 0.809 2.996 -2.284 + 7231TIP3 H228003 0.748 3.024 -2.150 + 7232TIP3 OH228004 0.693 3.007 -1.957 + 7232TIP3 H128005 0.597 3.013 -1.946 + 7232TIP3 H228006 0.713 2.930 -1.900 + 7233TIP3 OH228007 1.036 1.973 -0.812 + 7233TIP3 H128008 0.970 2.009 -0.872 + 7233TIP3 H228009 1.034 1.878 -0.834 + 7234TIP3 OH228010 -0.294 2.613 -0.976 + 7234TIP3 H128011 -0.264 2.562 -0.899 + 7234TIP3 H228012 -0.366 2.557 -1.011 + 7235TIP3 OH228013 0.035 1.435 -1.384 + 7235TIP3 H128014 -0.049 1.396 -1.410 + 7235TIP3 H228015 0.010 1.514 -1.338 + 7236TIP3 OH228016 0.858 2.254 -2.342 + 7236TIP3 H128017 0.843 2.255 -2.438 + 7236TIP3 H228018 0.940 2.305 -2.333 + 7237TIP3 OH228019 0.453 1.668 -2.318 + 7237TIP3 H128020 0.396 1.674 -2.240 + 7237TIP3 H228021 0.398 1.612 -2.375 + 7238TIP3 OH228022 0.004 1.954 -1.775 + 7238TIP3 H128023 -0.090 1.936 -1.790 + 7238TIP3 H228024 0.042 1.927 -1.861 + 7239TIP3 OH228025 0.623 1.958 -1.643 + 7239TIP3 H128026 0.630 2.032 -1.709 + 7239TIP3 H228027 0.658 1.885 -1.697 + 7240TIP3 OH228028 0.096 1.729 -2.418 + 7240TIP3 H128029 0.060 1.683 -2.340 + 7240TIP3 H228030 0.020 1.733 -2.477 + 7241TIP3 OH228031 -0.570 1.700 -1.707 + 7241TIP3 H128032 -0.504 1.701 -1.635 + 7241TIP3 H228033 -0.520 1.664 -1.782 + 7242TIP3 OH228034 -0.414 1.747 -2.146 + 7242TIP3 H128035 -0.356 1.796 -2.208 + 7242TIP3 H228036 -0.482 1.814 -2.127 + 7243TIP3 OH228037 0.553 2.112 -1.169 + 7243TIP3 H128038 0.601 2.048 -1.225 + 7243TIP3 H228039 0.521 2.053 -1.098 + 7244TIP3 OH228040 0.262 1.702 -1.675 + 7244TIP3 H128041 0.168 1.705 -1.651 + 7244TIP3 H228042 0.304 1.710 -1.588 + 7245TIP3 OH228043 -0.263 1.834 -1.807 + 7245TIP3 H128044 -0.346 1.860 -1.851 + 7245TIP3 H228045 -0.236 1.754 -1.856 + 7246TIP3 OH228046 0.109 1.866 -2.035 + 7246TIP3 H128047 0.205 1.880 -2.030 + 7246TIP3 H228048 0.081 1.923 -2.109 + 7247TIP3 OH228049 0.690 1.620 -1.340 + 7247TIP3 H128050 0.618 1.625 -1.276 + 7247TIP3 H228051 0.640 1.595 -1.421 + 7248TIP3 OH228052 -0.052 1.988 -2.265 + 7248TIP3 H128053 -0.107 1.952 -2.336 + 7248TIP3 H228054 0.031 2.006 -2.311 + 7249TIP3 OH228055 1.019 3.201 -0.703 + 7249TIP3 H128056 1.043 3.246 -0.786 + 7249TIP3 H228057 1.090 3.231 -0.644 + 7250TIP3 OH228058 -0.183 2.455 -0.739 + 7250TIP3 H128059 -0.111 2.469 -0.676 + 7250TIP3 H228060 -0.259 2.463 -0.680 + 7251TIP3 OH228061 0.370 1.936 -1.468 + 7251TIP3 H128062 0.449 1.919 -1.521 + 7251TIP3 H228063 0.388 1.887 -1.386 + 7252TIP3 OH228064 -0.098 1.600 -1.875 + 7252TIP3 H128065 -0.141 1.516 -1.853 + 7252TIP3 H228066 -0.013 1.570 -1.911 + 7253TIP3 OH228067 0.294 2.448 -2.065 + 7253TIP3 H128068 0.240 2.380 -2.109 + 7253TIP3 H228069 0.306 2.413 -1.976 + 7254TIP3 OH228070 1.015 2.363 -1.200 + 7254TIP3 H128071 1.065 2.416 -1.266 + 7254TIP3 H228072 0.930 2.349 -1.246 + 7255TIP3 OH228073 0.722 1.732 -2.312 + 7255TIP3 H128074 0.624 1.726 -2.311 + 7255TIP3 H228075 0.739 1.805 -2.248 + 7256TIP3 OH228076 0.448 2.444 -0.936 + 7256TIP3 H128077 0.425 2.418 -0.846 + 7256TIP3 H228078 0.422 2.537 -0.938 + 7257TIP3 OH228079 0.769 1.928 -2.124 + 7257TIP3 H128080 0.831 1.914 -2.050 + 7257TIP3 H228081 0.769 2.025 -2.126 + 7258TIP3 OH228082 -0.188 2.375 -1.486 + 7258TIP3 H128083 -0.132 2.372 -1.565 + 7258TIP3 H228084 -0.161 2.293 -1.443 + 7259TIP3 OH228085 0.533 2.592 -2.193 + 7259TIP3 H128086 0.508 2.667 -2.137 + 7259TIP3 H228087 0.485 2.519 -2.151 + 7260TIP3 OH228088 -0.458 2.188 -0.928 + 7260TIP3 H128089 -0.459 2.113 -0.866 + 7260TIP3 H228090 -0.516 2.157 -0.999 + 7261TIP3 OH228091 0.250 2.147 -0.754 + 7261TIP3 H128092 0.224 2.133 -0.846 + 7261TIP3 H228093 0.346 2.143 -0.759 + 7262TIP3 OH228094 0.683 2.711 -0.997 + 7262TIP3 H128095 0.586 2.717 -1.002 + 7262TIP3 H228096 0.699 2.733 -0.904 + 7263TIP3 OH228097 1.238 1.911 -2.119 + 7263TIP3 H128098 1.180 1.895 -2.196 + 7263TIP3 H228099 1.250 2.007 -2.130 + 7264TIP3 OH228100 1.281 2.517 -0.839 + 7264TIP3 H128101 1.187 2.537 -0.858 + 7264TIP3 H228102 1.315 2.499 -0.928 + 7265TIP3 OH228103 1.057 2.772 -2.108 + 7265TIP3 H128104 1.031 2.695 -2.055 + 7265TIP3 H228105 1.111 2.732 -2.178 + 7266TIP3 OH228106 0.780 2.305 -1.367 + 7266TIP3 H128107 0.688 2.291 -1.397 + 7266TIP3 H228108 0.825 2.234 -1.418 + 7267TIP3 OH228109 -0.356 2.194 -2.305 + 7267TIP3 H128110 -0.297 2.262 -2.266 + 7267TIP3 H228111 -0.443 2.225 -2.274 + 7268TIP3 OH228112 0.199 2.527 -1.754 + 7268TIP3 H128113 0.174 2.589 -1.822 + 7268TIP3 H228114 0.141 2.450 -1.768 + 7269TIP3 OH228115 0.241 2.907 -1.175 + 7269TIP3 H128116 0.295 2.983 -1.204 + 7269TIP3 H228117 0.305 2.856 -1.123 + 7270TIP3 OH228118 0.585 2.486 -1.215 + 7270TIP3 H128119 0.557 2.455 -1.127 + 7270TIP3 H228120 0.657 2.424 -1.236 + 7271TIP3 OH228121 0.812 2.606 -2.310 + 7271TIP3 H128122 0.847 2.559 -2.231 + 7271TIP3 H228123 0.717 2.598 -2.290 + 7272TIP3 OH228124 0.879 2.942 -0.972 + 7272TIP3 H128125 0.805 2.895 -1.014 + 7272TIP3 H228126 0.890 3.020 -1.029 + 7273TIP3 OH228127 1.276 3.042 -2.266 + 7273TIP3 H128128 1.347 3.105 -2.288 + 7273TIP3 H228129 1.200 3.102 -2.269 + 7274TIP3 OH228130 0.888 2.462 -2.068 + 7274TIP3 H128131 0.850 2.386 -2.021 + 7274TIP3 H228132 0.983 2.454 -2.049 + 7275TIP3 OH228133 -0.351 2.850 -1.167 + 7275TIP3 H128134 -0.330 2.760 -1.139 + 7275TIP3 H228135 -0.343 2.897 -1.083 + 7276TIP3 OH228136 0.228 2.723 -2.458 + 7276TIP3 H128137 0.252 2.646 -2.513 + 7276TIP3 H228138 0.190 2.679 -2.380 + 7277TIP3 OH228139 0.123 2.662 -2.179 + 7277TIP3 H128140 0.178 2.606 -2.122 + 7277TIP3 H228141 0.138 2.752 -2.144 + 7278TIP3 OH228142 -0.211 2.417 -2.151 + 7278TIP3 H128143 -0.279 2.459 -2.096 + 7278TIP3 H228144 -0.162 2.496 -2.182 + 7279TIP3 OH228145 0.627 1.609 -2.026 + 7279TIP3 H128146 0.638 1.667 -2.103 + 7279TIP3 H228147 0.671 1.660 -1.957 + 7280TIP3 OH228148 0.406 2.847 -2.123 + 7280TIP3 H128149 0.320 2.890 -2.118 + 7280TIP3 H228150 0.440 2.877 -2.209 + 7281TIP3 OH228151 0.391 1.824 -1.925 + 7281TIP3 H128152 0.465 1.885 -1.910 + 7281TIP3 H228153 0.354 1.813 -1.835 + 7282TIP3 OH228154 0.439 1.901 -1.013 + 7282TIP3 H128155 0.405 1.930 -0.928 + 7282TIP3 H228156 0.462 1.809 -0.996 + 7283TIP3 OH228157 0.429 1.512 -1.832 + 7283TIP3 H128158 0.399 1.587 -1.778 + 7283TIP3 H228159 0.498 1.553 -1.888 + 7284TIP3 OH228160 0.121 2.943 -2.106 + 7284TIP3 H128161 0.113 3.012 -2.175 + 7284TIP3 H228162 0.114 2.997 -2.027 + 7285TIP3 OH228163 0.001 1.612 -2.186 + 7285TIP3 H128164 0.002 1.689 -2.126 + 7285TIP3 H228165 0.082 1.566 -2.158 + 7286TIP3 OH228166 1.026 1.716 -0.936 + 7286TIP3 H128167 0.931 1.702 -0.942 + 7286TIP3 H228168 1.053 1.678 -1.021 + 7287TIP3 OH228169 0.869 2.083 -1.512 + 7287TIP3 H128170 0.801 2.042 -1.568 + 7287TIP3 H228171 0.926 2.007 -1.487 + 7288TIP3 OH228172 -0.155 2.693 -2.272 + 7288TIP3 H128173 -0.082 2.747 -2.237 + 7288TIP3 H228174 -0.106 2.643 -2.341 + 7289TIP3 OH228175 -0.342 1.916 -2.368 + 7289TIP3 H128176 -0.332 2.009 -2.341 + 7289TIP3 H228177 -0.432 1.915 -2.404 + 7290TIP3 OH228178 0.982 2.973 -1.385 + 7290TIP3 H128179 0.970 3.056 -1.434 + 7290TIP3 H228180 1.074 2.981 -1.358 + 7291TIP3 OH228181 -0.287 1.385 -1.474 + 7291TIP3 H128182 -0.275 1.389 -1.570 + 7291TIP3 H228183 -0.299 1.291 -1.456 + 7292TIP3 OH228184 -0.319 2.804 -1.843 + 7292TIP3 H128185 -0.405 2.836 -1.812 + 7292TIP3 H228186 -0.313 2.850 -1.929 + 7293TIP3 OH228187 -0.425 3.057 -0.745 + 7293TIP3 H128188 -0.368 3.030 -0.670 + 7293TIP3 H228189 -0.466 2.972 -0.769 + 7294TIP3 OH228190 0.043 2.967 -0.565 + 7294TIP3 H128191 0.111 2.903 -0.540 + 7294TIP3 H228192 0.022 2.938 -0.656 + 7295TIP3 OH228193 0.450 2.888 -2.410 + 7295TIP3 H128194 0.375 2.827 -2.423 + 7295TIP3 H228195 0.522 2.835 -2.448 + 7296TIP3 OH228196 0.688 2.792 -0.704 + 7296TIP3 H128197 0.655 2.708 -0.668 + 7296TIP3 H228198 0.760 2.814 -0.642 + 7297TIP3 OH228199 0.910 2.878 -2.403 + 7297TIP3 H128200 0.925 2.799 -2.349 + 7297TIP3 H228201 0.991 2.881 -2.457 + 7298TIP3 OH228202 -0.469 2.404 -0.629 + 7298TIP3 H128203 -0.428 2.331 -0.676 + 7298TIP3 H228204 -0.523 2.447 -0.698 + 7299TIP3 OH228205 -0.009 2.465 -2.427 + 7299TIP3 H128206 0.009 2.406 -2.352 + 7299TIP3 H228207 0.077 2.462 -2.473 + 7300TIP3 OH228208 0.237 2.430 -0.695 + 7300TIP3 H128209 0.190 2.454 -0.776 + 7300TIP3 H228210 0.235 2.332 -0.696 + 7301TIP3 OH228211 0.522 2.589 -2.470 + 7301TIP3 H128212 0.517 2.589 -2.372 + 7301TIP3 H228213 0.504 2.495 -2.489 + 7302TIP3 OH228214 0.769 2.408 -0.962 + 7302TIP3 H128215 0.848 2.459 -0.986 + 7302TIP3 H228216 0.701 2.477 -0.965 + 7303TIP3 OH228217 0.097 2.275 -2.200 + 7303TIP3 H128218 0.043 2.218 -2.142 + 7303TIP3 H228219 0.134 2.209 -2.262 + 7304TIP3 OH228220 0.206 2.080 -2.365 + 7304TIP3 H128221 0.199 2.064 -2.460 + 7304TIP3 H228222 0.302 2.078 -2.351 + 7305TIP3 OH228223 0.539 2.303 -0.639 + 7305TIP3 H128224 0.635 2.301 -0.651 + 7305TIP3 H228225 0.526 2.237 -0.571 + 7306TIP3 OH228226 1.140 2.325 -2.435 + 7306TIP3 H128227 1.123 2.282 -2.520 + 7306TIP3 H228228 1.129 2.419 -2.459 + 7307TIP3 OH228229 0.265 2.157 -1.054 + 7307TIP3 H128230 0.346 2.150 -1.107 + 7307TIP3 H228231 0.230 2.243 -1.087 + 7308TIP3 OH228232 0.845 2.253 -0.753 + 7308TIP3 H128233 0.809 2.316 -0.819 + 7308TIP3 H228234 0.936 2.243 -0.788 + 7309TIP3 OH228235 0.173 3.190 -2.257 + 7309TIP3 H128236 0.268 3.206 -2.249 + 7309TIP3 H228237 0.153 3.239 -2.338 + 7310TIP3 OH228238 -0.435 2.634 -2.301 + 7310TIP3 H128239 -0.340 2.653 -2.292 + 7310TIP3 H228240 -0.435 2.558 -2.362 + 7311TIP3 OH228241 -0.534 3.155 -1.834 + 7311TIP3 H128242 -0.607 3.123 -1.890 + 7311TIP3 H228243 -0.531 3.086 -1.765 + 7312TIP3 OH228244 -0.501 2.954 -1.635 + 7312TIP3 H128245 -0.539 2.871 -1.602 + 7312TIP3 H228246 -0.474 2.993 -1.551 + 7313TIP3 OH228247 1.256 3.090 -1.335 + 7313TIP3 H128248 1.270 3.082 -1.240 + 7313TIP3 H228249 1.345 3.112 -1.366 + 7314TIP3 OH228250 1.245 3.029 -1.047 + 7314TIP3 H128251 1.194 2.953 -1.081 + 7314TIP3 H228252 1.301 2.983 -0.982 + 7315TIP3 OH228253 1.044 2.572 -0.618 + 7315TIP3 H128254 0.957 2.577 -0.576 + 7315TIP3 H228255 1.090 2.651 -0.585 + 7316TIP3 OH228256 1.183 2.464 -2.045 + 7316TIP3 H128257 1.274 2.494 -2.026 + 7316TIP3 H228258 1.172 2.399 -1.972 + 7317TIP3 OH228259 1.231 2.260 -1.849 + 7317TIP3 H128260 1.163 2.202 -1.809 + 7317TIP3 H228261 1.297 2.268 -1.778 + 7318TIP3 OH228262 1.204 2.509 -1.346 + 7318TIP3 H128263 1.264 2.457 -1.403 + 7318TIP3 H228264 1.217 2.599 -1.380 + 7319TIP3 OH228265 1.076 2.803 -1.126 + 7319TIP3 H128266 1.003 2.838 -1.073 + 7319TIP3 H228267 1.030 2.762 -1.202 + 7320TIP3 OH228268 1.262 2.205 -2.190 + 7320TIP3 H128269 1.205 2.231 -2.265 + 7320TIP3 H228270 1.244 2.276 -2.127 + 7321TIP3 OH228271 1.095 1.951 -2.363 + 7321TIP3 H128272 1.106 2.021 -2.428 + 7321TIP3 H228273 1.061 1.878 -2.417 + 7322TIP3 OH228274 1.040 2.071 -1.767 + 7322TIP3 H128275 0.997 1.992 -1.803 + 7322TIP3 H228276 0.967 2.112 -1.717 + 7323TIP3 OH228277 -0.484 2.293 -1.395 + 7323TIP3 H128278 -0.457 2.294 -1.488 + 7323TIP3 H228279 -0.400 2.268 -1.352 + 7324TIP3 OH228280 1.103 2.264 -0.850 + 7324TIP3 H128281 1.168 2.193 -0.840 + 7324TIP3 H228282 1.159 2.342 -0.861 + 7325TIP3 OH228283 1.283 2.074 -0.747 + 7325TIP3 H128284 1.196 2.030 -0.742 + 7325TIP3 H228285 1.344 2.001 -0.727 + 7326TIP3 OH228286 1.025 1.673 -2.454 + 7326TIP3 H128287 1.090 1.645 -2.386 + 7326TIP3 H228288 0.941 1.653 -2.412 + 7327TIP3 OH228289 0.994 1.821 -1.947 + 7327TIP3 H128290 1.029 1.730 -1.941 + 7327TIP3 H228291 1.070 1.867 -1.988 + 7328TIP3 OH228292 1.032 1.875 -1.409 + 7328TIP3 H128293 1.128 1.891 -1.415 + 7328TIP3 H228294 1.020 1.890 -1.313 + 7329TIP3 OH228295 1.043 1.948 -1.139 + 7329TIP3 H128296 0.963 1.987 -1.097 + 7329TIP3 H228297 1.100 2.027 -1.148 + 7330TIP3 OH228298 1.060 1.539 -1.939 + 7330TIP3 H128299 1.060 1.503 -1.848 + 7330TIP3 H228300 0.981 1.493 -1.975 + 7331TIP3 OH228301 -0.394 1.664 -1.464 + 7331TIP3 H128302 -0.365 1.572 -1.452 + 7331TIP3 H228303 -0.323 1.712 -1.421 + 7332TIP3 OH228304 -0.566 1.935 -1.370 + 7332TIP3 H128305 -0.505 1.914 -1.442 + 7332TIP3 H228306 -0.522 2.012 -1.331 + 7333TIP3 OH228307 1.251 1.592 -2.289 + 7333TIP3 H128308 1.283 1.510 -2.330 + 7333TIP3 H228309 1.334 1.641 -2.272 + 7334TIP3 OH228310 -0.517 1.561 -1.963 + 7334TIP3 H128311 -0.612 1.567 -1.982 + 7334TIP3 H228312 -0.477 1.622 -2.028 + 7335TIP3 OH228313 0.942 3.097 -1.755 + 7335TIP3 H128314 0.987 3.064 -1.834 + 7335TIP3 H228315 1.016 3.124 -1.700 + 7336TIP3 OH228316 -0.309 2.766 -0.684 + 7336TIP3 H128317 -0.383 2.760 -0.746 + 7336TIP3 H228318 -0.354 2.743 -0.599 + 7337TIP3 OH228319 -0.030 2.856 -1.119 + 7337TIP3 H128320 -0.062 2.944 -1.145 + 7337TIP3 H228321 0.066 2.868 -1.137 + 7338TIP3 OH228322 0.419 2.991 -0.812 + 7338TIP3 H128323 0.433 2.972 -0.718 + 7338TIP3 H228324 0.503 3.034 -0.837 + 7339TIP3 OH228325 0.649 3.135 -0.890 + 7339TIP3 H128326 0.717 3.071 -0.911 + 7339TIP3 H228327 0.679 3.166 -0.802 + 7340TIP3 OH228328 1.175 1.424 -0.989 + 7340TIP3 H128329 1.084 1.452 -0.973 + 7340TIP3 H228330 1.171 1.332 -0.960 + 7341TIP3 OH228331 -0.296 3.154 -1.085 + 7341TIP3 H128332 -0.357 3.219 -1.124 + 7341TIP3 H228333 -0.324 3.157 -0.993 + 7342TIP3 OH228334 -0.053 3.128 -1.238 + 7342TIP3 H128335 -0.131 3.150 -1.184 + 7342TIP3 H228336 -0.042 3.208 -1.292 + 7343TIP3 OH228337 0.427 3.135 -1.270 + 7343TIP3 H128338 0.403 3.191 -1.345 + 7343TIP3 H228339 0.440 3.203 -1.200 + 7344TIP3 OH228340 0.664 3.004 -1.178 + 7344TIP3 H128341 0.579 3.039 -1.210 + 7344TIP3 H228342 0.720 3.082 -1.178 + 7345TIP3 OH228343 0.915 3.176 -1.158 + 7345TIP3 H128344 0.913 3.271 -1.181 + 7345TIP3 H228345 0.945 3.138 -1.242 + 7346TIP3 OH228346 -0.312 3.015 -1.395 + 7346TIP3 H128347 -0.337 2.979 -1.307 + 7346TIP3 H228348 -0.221 2.984 -1.398 + 7347TIP3 OH228349 0.492 1.547 -1.528 + 7347TIP3 H128350 0.413 1.498 -1.502 + 7347TIP3 H228351 0.519 1.501 -1.609 + 7348TIP3 OH228352 1.155 1.440 -1.663 + 7348TIP3 H128353 1.226 1.402 -1.717 + 7348TIP3 H228354 1.184 1.532 -1.653 + 7349TIP3 OH228355 -0.267 1.379 -1.773 + 7349TIP3 H128356 -0.358 1.372 -1.809 + 7349TIP3 H228357 -0.242 1.287 -1.764 + 7350TIP3 OH228358 -0.407 1.362 -2.178 + 7350TIP3 H128359 -0.355 1.427 -2.228 + 7350TIP3 H228360 -0.445 1.416 -2.108 + 7351TIP3 OH228361 0.153 1.383 -1.769 + 7351TIP3 H128362 0.243 1.416 -1.783 + 7351TIP3 H228363 0.149 1.372 -1.673 + 7352TIP3 OH228364 0.822 1.401 -2.060 + 7352TIP3 H128365 0.742 1.457 -2.059 + 7352TIP3 H228366 0.790 1.320 -2.015 + 7353TIP3 OH228367 -0.389 2.959 -2.069 + 7353TIP3 H128368 -0.456 2.947 -2.139 + 7353TIP3 H228369 -0.395 3.055 -2.056 + 7354TIP3 OH228370 -0.238 1.545 -2.335 + 7354TIP3 H128371 -0.176 1.491 -2.388 + 7354TIP3 H228372 -0.178 1.581 -2.267 + 7355TIP3 OH228373 0.268 1.572 -2.071 + 7355TIP3 H128374 0.307 1.515 -2.004 + 7355TIP3 H228375 0.291 1.659 -2.037 + 7356TIP3 OH228376 0.479 3.145 -2.251 + 7356TIP3 H128377 0.576 3.142 -2.257 + 7356TIP3 H228378 0.455 3.079 -2.318 + 7357TIP3 OH228379 1.124 3.046 -1.993 + 7357TIP3 H128380 1.104 2.959 -2.034 + 7357TIP3 H228381 1.128 3.102 -2.072 + 7358TIP3 OH228382 -0.248 3.053 -2.385 + 7358TIP3 H128383 -0.273 3.083 -2.296 + 7358TIP3 H228384 -0.169 3.000 -2.369 + 7359TIP3 OH228385 1.077 2.924 -0.755 + 7359TIP3 H128386 1.003 2.903 -0.815 + 7359TIP3 H228387 1.059 3.017 -0.735 + 7360TIP3 OH228388 2.510 2.290 -1.756 + 7360TIP3 H128389 2.504 2.383 -1.728 + 7360TIP3 H228390 2.423 2.278 -1.798 + 7361TIP3 OH228391 2.390 2.229 -1.440 + 7361TIP3 H128392 2.382 2.182 -1.355 + 7361TIP3 H228393 2.352 2.164 -1.500 + 7362TIP3 OH228394 1.630 2.194 -1.268 + 7362TIP3 H128395 1.626 2.118 -1.207 + 7362TIP3 H228396 1.700 2.247 -1.226 + 7363TIP3 OH228397 2.747 2.507 -1.603 + 7363TIP3 H128398 2.712 2.439 -1.543 + 7363TIP3 H228399 2.784 2.569 -1.538 + 7364TIP3 OH228400 1.695 2.658 -1.419 + 7364TIP3 H128401 1.671 2.566 -1.443 + 7364TIP3 H228402 1.787 2.644 -1.393 + 7365TIP3 OH228403 1.393 1.994 -1.880 + 7365TIP3 H128404 1.354 2.081 -1.866 + 7365TIP3 H228405 1.319 1.946 -1.920 + 7366TIP3 OH228406 1.476 2.242 -1.692 + 7366TIP3 H128407 1.490 2.159 -1.643 + 7366TIP3 H228408 1.560 2.250 -1.739 + 7367TIP3 OH228409 2.455 3.044 -1.546 + 7367TIP3 H128410 2.514 2.973 -1.577 + 7367TIP3 H228411 2.429 3.011 -1.459 + 7368TIP3 OH228412 2.232 2.484 -1.379 + 7368TIP3 H128413 2.265 2.413 -1.436 + 7368TIP3 H228414 2.312 2.500 -1.326 + 7369TIP3 OH228415 3.102 1.635 -1.319 + 7369TIP3 H128416 3.114 1.697 -1.245 + 7369TIP3 H228417 3.164 1.673 -1.385 + 7370TIP3 OH228418 2.566 1.921 -1.329 + 7370TIP3 H128419 2.579 1.825 -1.322 + 7370TIP3 H228420 2.549 1.931 -1.424 + 7371TIP3 OH228421 1.860 1.723 -1.622 + 7371TIP3 H128422 1.871 1.809 -1.665 + 7371TIP3 H228423 1.820 1.671 -1.694 + 7372TIP3 OH228424 2.643 1.735 -1.792 + 7372TIP3 H128425 2.702 1.696 -1.723 + 7372TIP3 H228426 2.705 1.787 -1.844 + 7373TIP3 OH228427 1.528 1.992 -1.568 + 7373TIP3 H128428 1.590 1.945 -1.509 + 7373TIP3 H228429 1.537 1.942 -1.650 + 7374TIP3 OH228430 2.072 2.129 -1.622 + 7374TIP3 H128431 2.134 2.069 -1.575 + 7374TIP3 H228432 2.017 2.064 -1.670 + 7375TIP3 OH228433 3.166 1.771 -1.065 + 7375TIP3 H128434 3.125 1.852 -1.100 + 7375TIP3 H228435 3.134 1.775 -0.974 + 7376TIP3 OH228436 1.764 1.596 -1.203 + 7376TIP3 H128437 1.737 1.670 -1.260 + 7376TIP3 H228438 1.705 1.609 -1.127 + 7377TIP3 OH228439 2.494 2.579 -1.869 + 7377TIP3 H128440 2.450 2.553 -1.950 + 7377TIP3 H228441 2.444 2.659 -1.844 + 7378TIP3 OH228442 2.032 2.387 -1.190 + 7378TIP3 H128443 1.957 2.445 -1.165 + 7378TIP3 H228444 2.093 2.449 -1.233 + 7379TIP3 OH228445 2.826 1.662 -1.586 + 7379TIP3 H128446 2.784 1.602 -1.523 + 7379TIP3 H228447 2.875 1.722 -1.527 + 7380TIP3 OH228448 1.696 1.805 -1.410 + 7380TIP3 H128449 1.760 1.862 -1.361 + 7380TIP3 H228450 1.756 1.766 -1.477 + 7381TIP3 OH228451 1.829 2.574 -1.120 + 7381TIP3 H128452 1.825 2.668 -1.147 + 7381TIP3 H228453 1.744 2.565 -1.074 + 7382TIP3 OH228454 1.462 2.545 -2.031 + 7382TIP3 H128455 1.439 2.595 -2.111 + 7382TIP3 H228456 1.477 2.614 -1.963 + 7383TIP3 OH228457 2.806 2.675 -1.357 + 7383TIP3 H128458 2.714 2.706 -1.354 + 7383TIP3 H228459 2.852 2.753 -1.392 + 7384TIP3 OH228460 2.841 1.576 -1.195 + 7384TIP3 H128461 2.763 1.612 -1.240 + 7384TIP3 H228462 2.911 1.587 -1.263 + 7385TIP3 OH228463 2.149 1.352 -1.495 + 7385TIP3 H128464 2.128 1.256 -1.495 + 7385TIP3 H228465 2.065 1.389 -1.460 + 7386TIP3 OH228466 2.635 2.884 -1.700 + 7386TIP3 H128467 2.686 2.804 -1.723 + 7386TIP3 H228468 2.704 2.953 -1.704 + 7387TIP3 OH228469 2.788 2.663 -1.842 + 7387TIP3 H128470 2.717 2.624 -1.897 + 7387TIP3 H228471 2.781 2.609 -1.761 + 7388TIP3 OH228472 2.912 2.540 -0.998 + 7388TIP3 H128473 2.935 2.472 -1.065 + 7388TIP3 H228474 2.949 2.620 -1.039 + 7389TIP3 OH228475 2.362 2.240 -2.017 + 7389TIP3 H128476 2.294 2.302 -2.050 + 7389TIP3 H228477 2.431 2.249 -2.084 + 7390TIP3 OH228478 2.393 2.058 -2.305 + 7390TIP3 H128479 2.465 2.093 -2.250 + 7390TIP3 H228480 2.443 2.007 -2.371 + 7391TIP3 OH228481 2.739 2.203 -1.879 + 7391TIP3 H128482 2.664 2.261 -1.851 + 7391TIP3 H228483 2.746 2.155 -1.795 + 7392TIP3 OH228484 2.695 2.090 -1.022 + 7392TIP3 H128485 2.699 2.167 -0.964 + 7392TIP3 H228486 2.636 2.125 -1.090 + 7393TIP3 OH228487 1.875 2.320 -1.733 + 7393TIP3 H128488 1.841 2.275 -1.812 + 7393TIP3 H228489 1.935 2.254 -1.696 + 7394TIP3 OH228490 2.011 2.662 -1.458 + 7394TIP3 H128491 1.998 2.618 -1.543 + 7394TIP3 H228492 2.089 2.615 -1.423 + 7395TIP3 OH228493 1.929 2.208 -1.388 + 7395TIP3 H128494 1.993 2.207 -1.461 + 7395TIP3 H228495 1.970 2.267 -1.322 + 7396TIP3 OH228496 2.519 2.755 -1.325 + 7396TIP3 H128497 2.529 2.819 -1.253 + 7396TIP3 H228498 2.506 2.671 -1.277 + 7397TIP3 OH228499 2.016 2.633 -0.898 + 7397TIP3 H128500 1.963 2.699 -0.849 + 7397TIP3 H228501 1.952 2.605 -0.966 + 7398TIP3 OH228502 2.618 2.171 -2.154 + 7398TIP3 H128503 2.667 2.203 -2.076 + 7398TIP3 H228504 2.660 2.225 -2.225 + 7399TIP3 OH228505 1.712 2.277 -0.991 + 7399TIP3 H128506 1.717 2.324 -0.906 + 7399TIP3 H228507 1.617 2.252 -0.993 + 7400TIP3 OH228508 2.354 2.846 -1.806 + 7400TIP3 H128509 2.402 2.875 -1.727 + 7400TIP3 H228510 2.304 2.926 -1.831 + 7401TIP3 OH228511 1.824 2.853 -0.815 + 7401TIP3 H128512 1.814 2.853 -0.911 + 7401TIP3 H228513 1.737 2.824 -0.783 + 7402TIP3 OH228514 2.952 1.363 -2.211 + 7402TIP3 H128515 2.865 1.373 -2.167 + 7402TIP3 H228516 2.987 1.453 -2.206 + 7403TIP3 OH228517 1.764 2.194 -1.977 + 7403TIP3 H128518 1.743 2.270 -2.033 + 7403TIP3 H228519 1.698 2.129 -2.004 + 7404TIP3 OH228520 3.091 2.775 -2.360 + 7404TIP3 H128521 3.106 2.868 -2.336 + 7404TIP3 H228522 3.177 2.734 -2.339 + 7405TIP3 OH228523 1.369 2.461 -1.104 + 7405TIP3 H128524 1.326 2.459 -1.191 + 7405TIP3 H228525 1.387 2.367 -1.087 + 7406TIP3 OH228526 1.377 2.758 -1.413 + 7406TIP3 H128527 1.467 2.723 -1.407 + 7406TIP3 H228528 1.373 2.812 -1.333 + 7407TIP3 OH228529 3.213 2.801 -0.829 + 7407TIP3 H128530 3.198 2.705 -0.847 + 7407TIP3 H228531 3.121 2.828 -0.807 + 7408TIP3 OH228532 2.279 2.737 -0.954 + 7408TIP3 H128533 2.286 2.820 -0.902 + 7408TIP3 H228534 2.188 2.708 -0.931 + 7409TIP3 OH228535 2.306 3.119 -1.957 + 7409TIP3 H128536 2.309 3.129 -2.054 + 7409TIP3 H228537 2.313 3.211 -1.926 + 7410TIP3 OH228538 1.687 3.034 -1.793 + 7410TIP3 H128539 1.704 2.988 -1.708 + 7410TIP3 H228540 1.607 2.989 -1.823 + 7411TIP3 OH228541 2.638 3.061 -2.240 + 7411TIP3 H128542 2.695 2.995 -2.283 + 7411TIP3 H228543 2.632 3.024 -2.149 + 7412TIP3 OH228544 2.577 3.003 -1.960 + 7412TIP3 H128545 2.481 3.016 -1.944 + 7412TIP3 H228546 2.596 2.935 -1.893 + 7413TIP3 OH228547 2.875 1.942 -0.773 + 7413TIP3 H128548 2.877 2.001 -0.849 + 7413TIP3 H228549 2.904 1.858 -0.814 + 7414TIP3 OH228550 1.588 2.618 -0.978 + 7414TIP3 H128551 1.618 2.569 -0.899 + 7414TIP3 H228552 1.517 2.560 -1.013 + 7415TIP3 OH228553 1.901 1.460 -1.414 + 7415TIP3 H128554 1.809 1.441 -1.439 + 7415TIP3 H228555 1.887 1.525 -1.342 + 7416TIP3 OH228556 2.337 1.401 -1.026 + 7416TIP3 H128557 2.381 1.349 -0.957 + 7416TIP3 H228558 2.243 1.389 -1.008 + 7417TIP3 OH228559 2.652 1.796 -0.989 + 7417TIP3 H128560 2.608 1.790 -0.902 + 7417TIP3 H228561 2.662 1.893 -1.000 + 7418TIP3 OH228562 2.761 2.286 -2.359 + 7418TIP3 H128563 2.740 2.276 -2.454 + 7418TIP3 H228564 2.852 2.320 -2.364 + 7419TIP3 OH228565 2.332 1.671 -2.312 + 7419TIP3 H128566 2.280 1.660 -2.231 + 7419TIP3 H228567 2.289 1.606 -2.369 + 7420TIP3 OH228568 1.885 1.944 -1.269 + 7420TIP3 H128569 1.844 1.954 -1.182 + 7420TIP3 H228570 1.895 2.037 -1.299 + 7421TIP3 OH228571 1.889 1.953 -1.776 + 7421TIP3 H128572 1.793 1.942 -1.790 + 7421TIP3 H228573 1.923 1.929 -1.864 + 7422TIP3 OH228574 2.451 2.005 -1.900 + 7422TIP3 H128575 2.407 2.088 -1.926 + 7422TIP3 H228576 2.519 2.000 -1.967 + 7423TIP3 OH228577 2.377 2.034 -0.768 + 7423TIP3 H128578 2.321 1.965 -0.728 + 7423TIP3 H228579 2.464 2.015 -0.727 + 7424TIP3 OH228580 2.530 1.947 -1.617 + 7424TIP3 H128581 2.498 2.002 -1.691 + 7424TIP3 H228582 2.550 1.864 -1.664 + 7425TIP3 OH228583 1.621 1.964 -1.078 + 7425TIP3 H128584 1.666 1.985 -0.995 + 7425TIP3 H228585 1.597 1.870 -1.064 + 7426TIP3 OH228586 1.972 1.717 -2.423 + 7426TIP3 H128587 1.936 1.683 -2.338 + 7426TIP3 H228588 1.891 1.731 -2.474 + 7427TIP3 OH228589 1.308 1.693 -1.711 + 7427TIP3 H128590 1.370 1.694 -1.636 + 7427TIP3 H228591 1.361 1.656 -1.783 + 7428TIP3 OH228592 1.472 1.746 -2.143 + 7428TIP3 H128593 1.527 1.796 -2.207 + 7428TIP3 H228594 1.402 1.812 -2.124 + 7429TIP3 OH228595 2.444 2.115 -1.175 + 7429TIP3 H128596 2.490 2.041 -1.223 + 7429TIP3 H228597 2.416 2.071 -1.094 + 7430TIP3 OH228598 2.164 1.707 -1.672 + 7430TIP3 H128599 2.069 1.706 -1.647 + 7430TIP3 H228600 2.205 1.690 -1.585 + 7431TIP3 OH228601 1.622 1.831 -1.804 + 7431TIP3 H128602 1.540 1.859 -1.849 + 7431TIP3 H228603 1.649 1.752 -1.854 + 7432TIP3 OH228604 1.987 1.862 -2.037 + 7432TIP3 H128605 2.083 1.875 -2.030 + 7432TIP3 H228606 1.960 1.924 -2.107 + 7433TIP3 OH228607 2.604 1.623 -1.370 + 7433TIP3 H128608 2.542 1.622 -1.293 + 7433TIP3 H228609 2.544 1.590 -1.439 + 7434TIP3 OH228610 1.832 1.988 -2.257 + 7434TIP3 H128611 1.772 1.961 -2.329 + 7434TIP3 H228612 1.913 2.008 -2.308 + 7435TIP3 OH228613 2.905 3.202 -0.703 + 7435TIP3 H128614 2.929 3.245 -0.787 + 7435TIP3 H228615 2.977 3.231 -0.645 + 7436TIP3 OH228616 1.698 2.468 -0.761 + 7436TIP3 H128617 1.764 2.473 -0.689 + 7436TIP3 H228618 1.617 2.457 -0.707 + 7437TIP3 OH228619 2.264 1.958 -1.476 + 7437TIP3 H128620 2.336 1.911 -1.518 + 7437TIP3 H228621 2.242 1.898 -1.401 + 7438TIP3 OH228622 1.793 1.603 -1.876 + 7438TIP3 H128623 1.741 1.525 -1.852 + 7438TIP3 H228624 1.876 1.564 -1.907 + 7439TIP3 OH228625 2.168 1.801 -1.267 + 7439TIP3 H128626 2.074 1.824 -1.257 + 7439TIP3 H228627 2.200 1.809 -1.176 + 7440TIP3 OH228628 2.180 2.446 -2.074 + 7440TIP3 H128629 2.103 2.396 -2.110 + 7440TIP3 H228630 2.158 2.452 -1.978 + 7441TIP3 OH228631 2.929 2.359 -1.208 + 7441TIP3 H128632 2.988 2.388 -1.278 + 7441TIP3 H228633 2.844 2.349 -1.254 + 7442TIP3 OH228634 2.593 1.737 -2.271 + 7442TIP3 H128635 2.498 1.727 -2.295 + 7442TIP3 H228636 2.598 1.830 -2.249 + 7443TIP3 OH228637 2.343 2.448 -0.944 + 7443TIP3 H128638 2.312 2.415 -0.859 + 7443TIP3 H228639 2.313 2.541 -0.943 + 7444TIP3 OH228640 2.762 1.925 -2.034 + 7444TIP3 H128641 2.803 1.866 -2.100 + 7444TIP3 H228642 2.706 1.982 -2.091 + 7445TIP3 OH228643 1.692 2.388 -1.493 + 7445TIP3 H128644 1.750 2.375 -1.570 + 7445TIP3 H228645 1.702 2.303 -1.446 + 7446TIP3 OH228646 2.418 2.583 -2.183 + 7446TIP3 H128647 2.394 2.669 -2.144 + 7446TIP3 H228648 2.342 2.529 -2.155 + 7447TIP3 OH228649 1.423 2.216 -0.965 + 7447TIP3 H128650 1.432 2.170 -0.879 + 7447TIP3 H228651 1.363 2.155 -1.013 + 7448TIP3 OH228652 2.117 2.171 -0.772 + 7448TIP3 H128653 2.083 2.140 -0.858 + 7448TIP3 H228654 2.210 2.141 -0.780 + 7449TIP3 OH228655 2.567 2.708 -0.998 + 7449TIP3 H128656 2.471 2.717 -1.001 + 7449TIP3 H228657 2.588 2.732 -0.907 + 7450TIP3 OH228658 3.098 1.927 -2.094 + 7450TIP3 H128659 3.063 1.882 -2.173 + 7450TIP3 H228660 3.123 2.012 -2.135 + 7451TIP3 OH228661 3.162 2.522 -0.835 + 7451TIP3 H128662 3.066 2.513 -0.848 + 7451TIP3 H228663 3.194 2.470 -0.911 + 7452TIP3 OH228664 2.930 2.767 -2.117 + 7452TIP3 H128665 2.921 2.699 -2.049 + 7452TIP3 H228666 3.000 2.733 -2.175 + 7453TIP3 OH228667 2.674 2.301 -1.371 + 7453TIP3 H128668 2.581 2.282 -1.391 + 7453TIP3 H228669 2.720 2.227 -1.412 + 7454TIP3 OH228670 1.931 2.713 -1.771 + 7454TIP3 H128671 1.973 2.801 -1.779 + 7454TIP3 H228672 1.839 2.734 -1.789 + 7455TIP3 OH228673 1.529 2.195 -2.307 + 7455TIP3 H128674 1.586 2.263 -2.266 + 7455TIP3 H228675 1.442 2.217 -2.270 + 7456TIP3 OH228676 2.114 2.484 -1.806 + 7456TIP3 H128677 2.083 2.575 -1.790 + 7456TIP3 H228678 2.044 2.432 -1.763 + 7457TIP3 OH228679 2.130 2.910 -1.169 + 7457TIP3 H128680 2.187 2.984 -1.197 + 7457TIP3 H228681 2.191 2.859 -1.114 + 7458TIP3 OH228682 1.975 3.005 -1.846 + 7458TIP3 H128683 1.879 3.020 -1.836 + 7458TIP3 H228684 2.011 3.092 -1.821 + 7459TIP3 OH228685 2.473 2.480 -1.217 + 7459TIP3 H128686 2.445 2.457 -1.127 + 7459TIP3 H228687 2.551 2.424 -1.230 + 7460TIP3 OH228688 2.688 2.612 -2.321 + 7460TIP3 H128689 2.731 2.571 -2.244 + 7460TIP3 H228690 2.595 2.600 -2.295 + 7461TIP3 OH228691 2.760 2.945 -0.967 + 7461TIP3 H128692 2.688 2.898 -1.015 + 7461TIP3 H228693 2.778 3.019 -1.027 + 7462TIP3 OH228694 3.162 3.041 -2.267 + 7462TIP3 H128695 3.232 3.105 -2.287 + 7462TIP3 H228696 3.085 3.101 -2.267 + 7463TIP3 OH228697 1.556 1.684 -1.025 + 7463TIP3 H128698 1.462 1.713 -1.030 + 7463TIP3 H228699 1.547 1.598 -0.980 + 7464TIP3 OH228700 2.784 2.462 -2.083 + 7464TIP3 H128701 2.763 2.403 -2.010 + 7464TIP3 H228702 2.879 2.477 -2.072 + 7465TIP3 OH228703 1.527 2.854 -1.165 + 7465TIP3 H128704 1.555 2.763 -1.149 + 7465TIP3 H228705 1.548 2.895 -1.080 + 7466TIP3 OH228706 2.112 2.720 -2.463 + 7466TIP3 H128707 2.141 2.641 -2.512 + 7466TIP3 H228708 2.070 2.681 -2.385 + 7467TIP3 OH228709 1.998 2.672 -2.193 + 7467TIP3 H128710 2.046 2.619 -2.128 + 7467TIP3 H228711 2.011 2.763 -2.159 + 7468TIP3 OH228712 1.680 2.416 -2.153 + 7468TIP3 H128713 1.607 2.453 -2.100 + 7468TIP3 H228714 1.727 2.498 -2.179 + 7469TIP3 OH228715 2.449 1.650 -1.147 + 7469TIP3 H128716 2.509 1.681 -1.077 + 7469TIP3 H228717 2.397 1.581 -1.102 + 7470TIP3 OH228718 2.511 1.604 -2.023 + 7470TIP3 H128719 2.532 1.653 -2.104 + 7470TIP3 H228720 2.556 1.654 -1.954 + 7471TIP3 OH228721 2.292 2.834 -2.129 + 7471TIP3 H128722 2.210 2.883 -2.111 + 7471TIP3 H228723 2.327 2.882 -2.205 + 7472TIP3 OH228724 2.254 1.806 -1.929 + 7472TIP3 H128725 2.328 1.868 -1.911 + 7472TIP3 H228726 2.221 1.788 -1.839 + 7473TIP3 OH228727 2.280 1.887 -1.002 + 7473TIP3 H128728 2.300 1.952 -0.932 + 7473TIP3 H228729 2.352 1.824 -0.993 + 7474TIP3 OH228730 2.308 1.506 -1.836 + 7474TIP3 H128731 2.289 1.572 -1.767 + 7474TIP3 H228732 2.381 1.549 -1.884 + 7475TIP3 OH228733 2.011 2.942 -2.129 + 7475TIP3 H128734 2.005 3.024 -2.183 + 7475TIP3 H228735 1.998 2.976 -2.038 + 7476TIP3 OH228736 1.885 1.609 -2.184 + 7476TIP3 H128737 1.882 1.683 -2.121 + 7476TIP3 H228738 1.965 1.562 -2.155 + 7477TIP3 OH228739 2.916 1.702 -0.924 + 7477TIP3 H128740 2.820 1.711 -0.938 + 7477TIP3 H228741 2.941 1.677 -1.015 + 7478TIP3 OH228742 2.791 2.069 -1.596 + 7478TIP3 H128743 2.699 2.043 -1.580 + 7478TIP3 H228744 2.837 2.020 -1.525 + 7479TIP3 OH228745 1.724 2.698 -2.276 + 7479TIP3 H128746 1.798 2.746 -2.236 + 7479TIP3 H228747 1.773 2.646 -2.342 + 7480TIP3 OH228748 1.539 1.916 -2.365 + 7480TIP3 H128749 1.550 2.009 -2.341 + 7480TIP3 H228750 1.450 1.915 -2.402 + 7481TIP3 OH228751 2.862 2.971 -1.381 + 7481TIP3 H128752 2.858 3.056 -1.430 + 7481TIP3 H228753 2.956 2.967 -1.360 + 7482TIP3 OH228754 1.615 1.369 -1.469 + 7482TIP3 H128755 1.601 1.386 -1.564 + 7482TIP3 H228756 1.571 1.284 -1.454 + 7483TIP3 OH228757 1.520 2.768 -1.856 + 7483TIP3 H128758 1.441 2.819 -1.834 + 7483TIP3 H228759 1.557 2.820 -1.930 + 7484TIP3 OH228760 1.459 3.059 -0.743 + 7484TIP3 H128761 1.518 3.030 -0.671 + 7484TIP3 H228762 1.422 2.973 -0.772 + 7485TIP3 OH228763 1.928 2.962 -0.561 + 7485TIP3 H128764 2.000 2.899 -0.545 + 7485TIP3 H228765 1.905 2.940 -0.653 + 7486TIP3 OH228766 2.334 2.891 -2.413 + 7486TIP3 H128767 2.258 2.829 -2.422 + 7486TIP3 H228768 2.405 2.836 -2.450 + 7487TIP3 OH228769 2.572 2.796 -0.703 + 7487TIP3 H128770 2.539 2.711 -0.669 + 7487TIP3 H228771 2.646 2.815 -0.643 + 7488TIP3 OH228772 2.796 2.880 -2.403 + 7488TIP3 H128773 2.814 2.802 -2.348 + 7488TIP3 H228774 2.877 2.884 -2.458 + 7489TIP3 OH228775 1.456 2.426 -0.633 + 7489TIP3 H128776 1.464 2.332 -0.656 + 7489TIP3 H228777 1.379 2.452 -0.687 + 7490TIP3 OH228778 1.877 2.464 -2.430 + 7490TIP3 H128779 1.892 2.405 -2.354 + 7490TIP3 H228780 1.963 2.459 -2.474 + 7491TIP3 OH228781 2.118 2.441 -0.696 + 7491TIP3 H128782 2.089 2.474 -0.782 + 7491TIP3 H228783 2.125 2.345 -0.712 + 7492TIP3 OH228784 2.401 2.597 -2.468 + 7492TIP3 H128785 2.396 2.593 -2.371 + 7492TIP3 H228786 2.396 2.501 -2.489 + 7493TIP3 OH228787 2.659 2.402 -0.958 + 7493TIP3 H128788 2.735 2.458 -0.982 + 7493TIP3 H228789 2.586 2.467 -0.960 + 7494TIP3 OH228790 1.570 2.138 -0.715 + 7494TIP3 H128791 1.628 2.061 -0.707 + 7494TIP3 H228792 1.548 2.153 -0.622 + 7495TIP3 OH228793 1.986 2.272 -2.195 + 7495TIP3 H128794 1.924 2.222 -2.140 + 7495TIP3 H228795 2.014 2.203 -2.258 + 7496TIP3 OH228796 1.900 2.034 -0.974 + 7496TIP3 H128797 1.861 2.116 -0.940 + 7496TIP3 H228798 1.973 2.067 -1.029 + 7497TIP3 OH228799 2.080 2.073 -2.370 + 7497TIP3 H128800 2.075 2.081 -2.467 + 7497TIP3 H228801 2.176 2.071 -2.355 + 7498TIP3 OH228802 2.442 2.322 -0.611 + 7498TIP3 H128803 2.532 2.306 -0.642 + 7498TIP3 H228804 2.416 2.234 -0.579 + 7499TIP3 OH228805 3.031 2.324 -2.436 + 7499TIP3 H128806 3.021 2.283 -2.523 + 7499TIP3 H228807 3.021 2.419 -2.460 + 7500TIP3 OH228808 2.155 2.168 -1.068 + 7500TIP3 H128809 2.237 2.159 -1.120 + 7500TIP3 H228810 2.122 2.254 -1.100 + 7501TIP3 OH228811 2.617 1.967 -0.591 + 7501TIP3 H128812 2.635 1.872 -0.584 + 7501TIP3 H228813 2.707 2.000 -0.610 + 7502TIP3 OH228814 2.747 2.247 -0.753 + 7502TIP3 H128815 2.707 2.308 -0.818 + 7502TIP3 H228816 2.832 2.230 -0.794 + 7503TIP3 OH228817 1.812 1.925 -0.681 + 7503TIP3 H128818 1.740 1.859 -0.678 + 7503TIP3 H228819 1.868 1.895 -0.754 + 7504TIP3 OH228820 2.178 1.841 -0.682 + 7504TIP3 H128821 2.167 1.788 -0.601 + 7504TIP3 H228822 2.117 1.801 -0.745 + 7505TIP3 OH228823 2.445 1.720 -0.789 + 7505TIP3 H128824 2.357 1.715 -0.750 + 7505TIP3 H228825 2.494 1.652 -0.739 + 7506TIP3 OH228826 2.623 1.543 -0.646 + 7506TIP3 H128827 2.627 1.449 -0.621 + 7506TIP3 H228828 2.616 1.588 -0.560 + 7507TIP3 OH228829 2.057 3.197 -2.260 + 7507TIP3 H128830 2.153 3.208 -2.249 + 7507TIP3 H228831 2.044 3.242 -2.344 + 7508TIP3 OH228832 1.448 2.638 -2.309 + 7508TIP3 H128833 1.543 2.655 -2.293 + 7508TIP3 H228834 1.449 2.557 -2.364 + 7509TIP3 OH228835 1.344 3.158 -1.827 + 7509TIP3 H128836 1.276 3.118 -1.885 + 7509TIP3 H228837 1.358 3.086 -1.762 + 7510TIP3 OH228838 1.385 2.959 -1.634 + 7510TIP3 H128839 1.357 2.871 -1.603 + 7510TIP3 H228840 1.423 2.992 -1.551 + 7511TIP3 OH228841 3.143 3.108 -1.333 + 7511TIP3 H128842 3.156 3.069 -1.246 + 7511TIP3 H228843 3.233 3.106 -1.368 + 7512TIP3 OH228844 3.129 3.027 -1.040 + 7512TIP3 H128845 3.081 2.952 -1.080 + 7512TIP3 H228846 3.190 2.978 -0.983 + 7513TIP3 OH228847 2.927 2.570 -0.615 + 7513TIP3 H128848 2.840 2.580 -0.573 + 7513TIP3 H228849 2.975 2.650 -0.588 + 7514TIP3 OH228850 3.075 2.452 -2.041 + 7514TIP3 H128851 3.162 2.492 -2.020 + 7514TIP3 H228852 3.058 2.400 -1.961 + 7515TIP3 OH228853 3.076 2.191 -1.811 + 7515TIP3 H128854 3.032 2.199 -1.725 + 7515TIP3 H228855 3.159 2.239 -1.788 + 7516TIP3 OH228856 2.962 2.808 -1.120 + 7516TIP3 H128857 2.882 2.832 -1.071 + 7516TIP3 H228858 2.927 2.762 -1.198 + 7517TIP3 OH228859 3.133 2.200 -2.181 + 7517TIP3 H128860 3.090 2.226 -2.264 + 7517TIP3 H228861 3.130 2.285 -2.133 + 7518TIP3 OH228862 2.968 1.959 -2.361 + 7518TIP3 H128863 2.994 2.018 -2.432 + 7518TIP3 H228864 2.947 1.877 -2.409 + 7519TIP3 OH228865 1.395 2.294 -1.394 + 7519TIP3 H128866 1.420 2.298 -1.488 + 7519TIP3 H228867 1.481 2.271 -1.353 + 7520TIP3 OH228868 2.912 1.696 -2.436 + 7520TIP3 H128869 2.975 1.642 -2.385 + 7520TIP3 H228870 2.837 1.636 -2.451 + 7521TIP3 OH228871 2.924 1.885 -1.413 + 7521TIP3 H128872 3.021 1.900 -1.407 + 7521TIP3 H228873 2.902 1.894 -1.319 + 7522TIP3 OH228874 2.940 1.969 -1.137 + 7522TIP3 H128875 2.857 2.004 -1.099 + 7522TIP3 H228876 2.999 2.045 -1.123 + 7523TIP3 OH228877 3.201 1.367 -0.589 + 7523TIP3 H128878 3.212 1.295 -0.652 + 7523TIP3 H228879 3.190 1.444 -0.648 + 7524TIP3 OH228880 2.938 1.594 -1.950 + 7524TIP3 H128881 2.953 1.561 -1.859 + 7524TIP3 H228882 2.865 1.536 -1.979 + 7525TIP3 OH228883 1.470 1.648 -1.478 + 7525TIP3 H128884 1.510 1.564 -1.452 + 7525TIP3 H228885 1.535 1.711 -1.440 + 7526TIP3 OH228886 1.320 1.925 -1.370 + 7526TIP3 H128887 1.378 1.928 -1.447 + 7526TIP3 H228888 1.353 2.000 -1.318 + 7527TIP3 OH228889 3.128 1.565 -0.762 + 7527TIP3 H128890 3.043 1.612 -0.761 + 7527TIP3 H228891 3.120 1.517 -0.846 + 7528TIP3 OH228892 3.142 1.594 -2.287 + 7528TIP3 H128893 3.170 1.510 -2.326 + 7528TIP3 H228894 3.227 1.640 -2.276 + 7529TIP3 OH228895 1.369 1.544 -1.973 + 7529TIP3 H128896 1.273 1.561 -1.977 + 7529TIP3 H228897 1.407 1.616 -2.027 + 7530TIP3 OH228898 2.828 3.095 -1.755 + 7530TIP3 H128899 2.878 3.064 -1.833 + 7530TIP3 H228900 2.899 3.123 -1.696 + 7531TIP3 OH228901 1.368 1.428 -1.180 + 7531TIP3 H128902 1.309 1.430 -1.102 + 7531TIP3 H228903 1.324 1.493 -1.236 + 7532TIP3 OH228904 1.570 2.769 -0.680 + 7532TIP3 H128905 1.500 2.756 -0.746 + 7532TIP3 H228906 1.523 2.753 -0.597 + 7533TIP3 OH228907 1.854 2.859 -1.114 + 7533TIP3 H128908 1.824 2.944 -1.149 + 7533TIP3 H228909 1.950 2.867 -1.131 + 7534TIP3 OH228910 2.304 2.991 -0.812 + 7534TIP3 H128911 2.321 2.972 -0.719 + 7534TIP3 H228912 2.387 3.034 -0.839 + 7535TIP3 OH228913 2.533 3.135 -0.889 + 7535TIP3 H128914 2.603 3.073 -0.914 + 7535TIP3 H228915 2.564 3.165 -0.802 + 7536TIP3 OH228916 3.029 1.398 -0.973 + 7536TIP3 H128917 2.942 1.423 -1.009 + 7536TIP3 H228918 3.034 1.306 -1.005 + 7537TIP3 OH228919 1.592 3.155 -1.081 + 7537TIP3 H128920 1.531 3.218 -1.124 + 7537TIP3 H228921 1.558 3.157 -0.991 + 7538TIP3 OH228922 1.840 3.131 -1.226 + 7538TIP3 H128923 1.755 3.150 -1.181 + 7538TIP3 H228924 1.844 3.202 -1.293 + 7539TIP3 OH228925 2.315 3.131 -1.270 + 7539TIP3 H128926 2.278 3.177 -1.347 + 7539TIP3 H228927 2.325 3.205 -1.206 + 7540TIP3 OH228928 2.548 3.002 -1.178 + 7540TIP3 H128929 2.465 3.040 -1.211 + 7540TIP3 H228930 2.607 3.079 -1.180 + 7541TIP3 OH228931 2.799 3.176 -1.158 + 7541TIP3 H128932 2.798 3.270 -1.183 + 7541TIP3 H228933 2.832 3.135 -1.240 + 7542TIP3 OH228934 1.549 3.034 -1.387 + 7542TIP3 H128935 1.547 2.985 -1.301 + 7542TIP3 H228936 1.625 2.990 -1.430 + 7543TIP3 OH228937 1.752 2.909 -1.543 + 7543TIP3 H128938 1.736 2.816 -1.516 + 7543TIP3 H228939 1.843 2.924 -1.511 + 7544TIP3 OH228940 2.027 2.955 -1.454 + 7544TIP3 H128941 2.046 2.862 -1.475 + 7544TIP3 H228942 2.035 2.953 -1.357 + 7545TIP3 OH228943 2.362 1.545 -1.525 + 7545TIP3 H128944 2.290 1.481 -1.508 + 7545TIP3 H228945 2.421 1.494 -1.582 + 7546TIP3 OH228946 2.857 1.346 -1.480 + 7546TIP3 H128947 2.931 1.393 -1.523 + 7546TIP3 H228948 2.780 1.376 -1.532 + 7547TIP3 OH228949 3.060 1.459 -1.700 + 7547TIP3 H128950 3.132 1.415 -1.749 + 7547TIP3 H228951 3.097 1.548 -1.684 + 7548TIP3 OH228952 1.605 1.406 -1.761 + 7548TIP3 H128953 1.516 1.396 -1.799 + 7548TIP3 H228954 1.644 1.319 -1.774 + 7549TIP3 OH228955 1.480 1.361 -2.180 + 7549TIP3 H128956 1.530 1.429 -2.229 + 7549TIP3 H228957 1.438 1.414 -2.110 + 7550TIP3 OH228958 2.040 1.388 -1.784 + 7550TIP3 H128959 2.130 1.423 -1.793 + 7550TIP3 H228960 2.032 1.386 -1.687 + 7551TIP3 OH228961 2.600 1.403 -1.640 + 7551TIP3 H128962 2.631 1.382 -1.730 + 7551TIP3 H228963 2.563 1.317 -1.612 + 7552TIP3 OH228964 2.718 1.406 -2.043 + 7552TIP3 H128965 2.633 1.453 -2.053 + 7552TIP3 H228966 2.688 1.316 -2.023 + 7553TIP3 OH228967 1.494 2.961 -2.062 + 7553TIP3 H128968 1.431 2.947 -2.135 + 7553TIP3 H228969 1.494 3.057 -2.057 + 7554TIP3 OH228970 1.647 1.545 -2.336 + 7554TIP3 H128971 1.710 1.492 -2.388 + 7554TIP3 H228972 1.705 1.580 -2.266 + 7555TIP3 OH228973 2.158 1.564 -2.076 + 7555TIP3 H128974 2.193 1.508 -2.004 + 7555TIP3 H228975 2.175 1.651 -2.037 + 7556TIP3 OH228976 2.362 3.144 -2.252 + 7556TIP3 H128977 2.460 3.144 -2.256 + 7556TIP3 H228978 2.342 3.078 -2.320 + 7557TIP3 OH228979 3.012 3.047 -1.994 + 7557TIP3 H128980 2.989 2.963 -2.038 + 7557TIP3 H228981 3.009 3.109 -2.069 + 7558TIP3 OH228982 1.638 3.056 -2.384 + 7558TIP3 H128983 1.616 3.083 -2.293 + 7558TIP3 H228984 1.715 2.998 -2.370 + 7559TIP3 OH228985 2.961 2.922 -0.751 + 7559TIP3 H128986 2.892 2.903 -0.817 + 7559TIP3 H228987 2.947 3.017 -0.737 + 7560TIP3 OH228988 4.187 2.217 -1.456 + 7560TIP3 H128989 4.250 2.226 -1.382 + 7560TIP3 H228990 4.234 2.148 -1.506 + 7561TIP3 OH228991 3.527 2.192 -1.277 + 7561TIP3 H128992 3.517 2.114 -1.219 + 7561TIP3 H228993 3.572 2.253 -1.218 + 7562TIP3 OH228994 3.613 2.665 -1.424 + 7562TIP3 H128995 3.549 2.593 -1.437 + 7562TIP3 H228996 3.692 2.617 -1.397 + 7563TIP3 OH228997 3.280 1.984 -1.883 + 7563TIP3 H128998 3.251 2.075 -1.861 + 7563TIP3 H228999 3.214 1.953 -1.946 + 7564TIP3 OH229000 3.340 2.232 -1.715 + 7564TIP3 H129001 3.351 2.179 -1.634 + 7564TIP3 H229002 3.431 2.263 -1.729 + 7565TIP3 OH229003 3.727 1.704 -1.622 + 7565TIP3 H129004 3.754 1.793 -1.650 + 7565TIP3 H229005 3.689 1.668 -1.704 + 7566TIP3 OH229006 3.413 1.983 -1.563 + 7566TIP3 H129007 3.481 1.946 -1.505 + 7566TIP3 H229008 3.430 1.936 -1.646 + 7567TIP3 OH229009 3.618 1.593 -1.194 + 7567TIP3 H129010 3.597 1.653 -1.267 + 7567TIP3 H229011 3.556 1.623 -1.126 + 7568TIP3 OH229012 3.929 2.395 -1.204 + 7568TIP3 H129013 3.845 2.435 -1.175 + 7568TIP3 H229014 3.987 2.472 -1.199 + 7569TIP3 OH229015 3.611 1.819 -1.394 + 7569TIP3 H129016 3.678 1.878 -1.356 + 7569TIP3 H229017 3.665 1.778 -1.465 + 7570TIP3 OH229018 3.717 2.569 -1.115 + 7570TIP3 H129019 3.712 2.661 -1.149 + 7570TIP3 H229020 3.628 2.564 -1.074 + 7571TIP3 OH229021 3.344 2.543 -2.030 + 7571TIP3 H129022 3.328 2.596 -2.109 + 7571TIP3 H229023 3.364 2.612 -1.962 + 7572TIP3 OH229024 4.042 1.347 -1.493 + 7572TIP3 H129025 4.015 1.253 -1.491 + 7572TIP3 H229026 3.963 1.389 -1.453 + 7573TIP3 OH229027 4.261 2.226 -2.027 + 7573TIP3 H129028 4.198 2.298 -2.046 + 7573TIP3 H229029 4.336 2.251 -2.081 + 7574TIP3 OH229030 4.288 2.075 -2.307 + 7574TIP3 H129031 4.369 2.075 -2.254 + 7574TIP3 H229032 4.296 1.997 -2.362 + 7575TIP3 OH229033 3.801 2.286 -1.729 + 7575TIP3 H129034 3.738 2.274 -1.803 + 7575TIP3 H229035 3.811 2.193 -1.703 + 7576TIP3 OH229036 3.911 2.614 -1.450 + 7576TIP3 H129037 3.904 2.625 -1.546 + 7576TIP3 H229038 4.003 2.632 -1.429 + 7577TIP3 OH229039 3.846 2.220 -1.430 + 7577TIP3 H129040 3.865 2.125 -1.428 + 7577TIP3 H229041 3.830 2.238 -1.335 + 7578TIP3 OH229042 3.903 2.635 -0.900 + 7578TIP3 H129043 3.852 2.701 -0.850 + 7578TIP3 H229044 3.837 2.608 -0.967 + 7579TIP3 OH229045 3.576 2.260 -0.985 + 7579TIP3 H129046 3.584 2.315 -0.905 + 7579TIP3 H229047 3.480 2.260 -0.996 + 7580TIP3 OH229048 4.245 2.842 -1.807 + 7580TIP3 H129049 4.299 2.891 -1.743 + 7580TIP3 H229050 4.199 2.913 -1.854 + 7581TIP3 OH229051 3.711 2.849 -0.816 + 7581TIP3 H129052 3.700 2.853 -0.913 + 7581TIP3 H229053 3.623 2.823 -0.785 + 7582TIP3 OH229054 3.652 2.198 -1.971 + 7582TIP3 H129055 3.629 2.270 -2.031 + 7582TIP3 H229056 3.591 2.128 -1.997 + 7583TIP3 OH229057 3.269 2.433 -1.101 + 7583TIP3 H129058 3.231 2.446 -1.189 + 7583TIP3 H229059 3.231 2.346 -1.076 + 7584TIP3 OH229060 4.171 2.737 -0.950 + 7584TIP3 H129061 4.181 2.824 -0.909 + 7584TIP3 H229062 4.080 2.710 -0.925 + 7585TIP3 OH229063 4.184 3.119 -1.959 + 7585TIP3 H129064 4.206 3.123 -2.053 + 7585TIP3 H229065 4.208 3.206 -1.926 + 7586TIP3 OH229066 3.573 3.033 -1.793 + 7586TIP3 H129067 3.590 2.987 -1.708 + 7586TIP3 H229068 3.489 2.992 -1.819 + 7587TIP3 OH229069 3.475 2.613 -0.981 + 7587TIP3 H129070 3.501 2.564 -0.901 + 7587TIP3 H229071 3.398 2.562 -1.014 + 7588TIP3 OH229072 3.795 1.454 -1.401 + 7588TIP3 H129073 3.711 1.457 -1.451 + 7588TIP3 H229074 3.792 1.541 -1.357 + 7589TIP3 OH229075 4.233 1.401 -0.974 + 7589TIP3 H129076 4.244 1.325 -0.914 + 7589TIP3 H229077 4.142 1.385 -1.007 + 7590TIP3 OH229078 4.234 1.678 -2.300 + 7590TIP3 H129079 4.168 1.659 -2.232 + 7590TIP3 H229080 4.206 1.615 -2.368 + 7591TIP3 OH229081 3.788 1.980 -1.764 + 7591TIP3 H129082 3.694 1.962 -1.774 + 7591TIP3 H229083 3.823 1.945 -1.848 + 7592TIP3 OH229084 4.297 1.969 -1.883 + 7592TIP3 H129085 4.273 2.062 -1.897 + 7592TIP3 H229086 4.323 1.940 -1.971 + 7593TIP3 OH229087 4.252 2.033 -0.746 + 7593TIP3 H129088 4.194 1.954 -0.742 + 7593TIP3 H229089 4.337 1.985 -0.744 + 7594TIP3 OH229090 3.525 1.954 -1.093 + 7594TIP3 H129091 3.535 2.000 -1.009 + 7594TIP3 H229092 3.484 1.870 -1.067 + 7595TIP3 OH229093 3.866 1.723 -2.425 + 7595TIP3 H129094 3.827 1.688 -2.342 + 7595TIP3 H229095 3.787 1.734 -2.480 + 7596TIP3 OH229096 3.201 1.706 -1.714 + 7596TIP3 H129097 3.263 1.711 -1.639 + 7596TIP3 H229098 3.253 1.663 -1.783 + 7597TIP3 OH229099 3.357 1.745 -2.143 + 7597TIP3 H129100 3.413 1.794 -2.207 + 7597TIP3 H229101 3.290 1.812 -2.123 + 7598TIP3 OH229102 4.359 2.073 -1.135 + 7598TIP3 H129103 4.365 2.016 -1.216 + 7598TIP3 H229104 4.272 2.051 -1.104 + 7599TIP3 OH229105 4.044 1.691 -1.668 + 7599TIP3 H129106 3.951 1.699 -1.642 + 7599TIP3 H229107 4.085 1.723 -1.586 + 7600TIP3 OH229108 3.517 1.837 -1.808 + 7600TIP3 H129109 3.432 1.862 -1.847 + 7600TIP3 H229110 3.544 1.758 -1.858 + 7601TIP3 OH229111 3.864 1.864 -2.033 + 7601TIP3 H129112 3.960 1.869 -2.027 + 7601TIP3 H229113 3.840 1.926 -2.104 + 7602TIP3 OH229114 3.721 1.992 -2.259 + 7602TIP3 H129115 3.661 1.962 -2.329 + 7602TIP3 H229116 3.804 2.004 -2.309 + 7603TIP3 OH229117 3.582 2.462 -0.763 + 7603TIP3 H129118 3.649 2.471 -0.692 + 7603TIP3 H229119 3.502 2.455 -0.709 + 7604TIP3 OH229120 3.674 1.602 -1.884 + 7604TIP3 H129121 3.622 1.523 -1.860 + 7604TIP3 H229122 3.761 1.564 -1.903 + 7605TIP3 OH229123 4.071 2.433 -2.073 + 7605TIP3 H129124 3.995 2.385 -2.113 + 7605TIP3 H229125 4.048 2.435 -1.979 + 7606TIP3 OH229126 4.209 2.438 -0.948 + 7606TIP3 H129127 4.183 2.422 -0.857 + 7606TIP3 H229128 4.214 2.535 -0.953 + 7607TIP3 OH229129 3.569 2.374 -1.504 + 7607TIP3 H129130 3.648 2.361 -1.557 + 7607TIP3 H229131 3.569 2.296 -1.446 + 7608TIP3 OH229132 4.287 2.575 -2.175 + 7608TIP3 H129133 4.260 2.665 -2.146 + 7608TIP3 H229134 4.211 2.523 -2.144 + 7609TIP3 OH229135 3.999 2.162 -0.764 + 7609TIP3 H129136 3.959 2.130 -0.847 + 7609TIP3 H229137 4.093 2.137 -0.777 + 7610TIP3 OH229138 3.820 2.713 -1.771 + 7610TIP3 H129139 3.856 2.802 -1.780 + 7610TIP3 H229140 3.725 2.730 -1.778 + 7611TIP3 OH229141 3.415 2.194 -2.304 + 7611TIP3 H129142 3.475 2.260 -2.266 + 7611TIP3 H229143 3.329 2.230 -2.277 + 7612TIP3 OH229144 3.996 2.480 -1.754 + 7612TIP3 H129145 3.973 2.570 -1.783 + 7612TIP3 H229146 3.911 2.432 -1.769 + 7613TIP3 OH229147 4.022 2.911 -1.170 + 7613TIP3 H129148 4.078 2.985 -1.200 + 7613TIP3 H229149 4.083 2.863 -1.112 + 7614TIP3 OH229150 3.859 3.004 -1.846 + 7614TIP3 H129151 3.764 3.019 -1.834 + 7614TIP3 H229152 3.896 3.091 -1.821 + 7615TIP3 OH229153 3.426 1.686 -0.988 + 7615TIP3 H129154 3.339 1.707 -1.026 + 7615TIP3 H229155 3.414 1.593 -0.963 + 7616TIP3 OH229156 3.419 2.869 -1.161 + 7616TIP3 H129157 3.414 2.773 -1.174 + 7616TIP3 H229158 3.445 2.875 -1.069 + 7617TIP3 OH229159 3.993 2.724 -2.463 + 7617TIP3 H129160 4.029 2.648 -2.513 + 7617TIP3 H229161 3.957 2.680 -2.384 + 7618TIP3 OH229162 3.885 2.667 -2.188 + 7618TIP3 H129163 3.936 2.619 -2.121 + 7618TIP3 H229164 3.897 2.760 -2.159 + 7619TIP3 OH229165 3.566 2.416 -2.152 + 7619TIP3 H129166 3.493 2.455 -2.099 + 7619TIP3 H229167 3.612 2.496 -2.181 + 7620TIP3 OH229168 4.346 1.711 -1.106 + 7620TIP3 H129169 4.358 1.642 -1.040 + 7620TIP3 H229170 4.275 1.675 -1.162 + 7621TIP3 OH229171 4.167 2.831 -2.136 + 7621TIP3 H129172 4.089 2.884 -2.112 + 7621TIP3 H229173 4.211 2.889 -2.199 + 7622TIP3 OH229174 4.114 1.778 -1.928 + 7622TIP3 H129175 4.185 1.841 -1.900 + 7622TIP3 H229176 4.079 1.758 -1.839 + 7623TIP3 OH229177 4.147 1.863 -0.984 + 7623TIP3 H129178 4.169 1.955 -0.964 + 7623TIP3 H229179 4.223 1.832 -1.036 + 7624TIP3 OH229180 4.195 1.502 -1.810 + 7624TIP3 H129181 4.163 1.579 -1.757 + 7624TIP3 H229182 4.272 1.541 -1.855 + 7625TIP3 OH229183 3.894 2.940 -2.130 + 7625TIP3 H129184 3.891 3.022 -2.183 + 7625TIP3 H229185 3.880 2.974 -2.039 + 7626TIP3 OH229186 3.773 1.612 -2.190 + 7626TIP3 H129187 3.767 1.681 -2.122 + 7626TIP3 H229188 3.850 1.561 -2.161 + 7627TIP3 OH229189 3.610 2.695 -2.276 + 7627TIP3 H129190 3.682 2.747 -2.235 + 7627TIP3 H229191 3.661 2.646 -2.342 + 7628TIP3 OH229192 3.421 1.914 -2.359 + 7628TIP3 H129193 3.436 2.009 -2.340 + 7628TIP3 H229194 3.340 1.915 -2.411 + 7629TIP3 OH229195 3.513 1.419 -1.484 + 7629TIP3 H129196 3.496 1.419 -1.581 + 7629TIP3 H229197 3.479 1.333 -1.456 + 7630TIP3 OH229198 3.404 2.760 -1.868 + 7630TIP3 H129199 3.336 2.807 -1.817 + 7630TIP3 H229200 3.435 2.828 -1.930 + 7631TIP3 OH229201 3.342 3.055 -0.744 + 7631TIP3 H129202 3.402 3.028 -0.673 + 7631TIP3 H229203 3.304 2.970 -0.771 + 7632TIP3 OH229204 3.813 2.963 -0.563 + 7632TIP3 H129205 3.882 2.897 -0.545 + 7632TIP3 H229206 3.789 2.940 -0.655 + 7633TIP3 OH229207 4.231 2.889 -2.431 + 7633TIP3 H129208 4.147 2.837 -2.430 + 7633TIP3 H229209 4.294 2.816 -2.445 + 7634TIP3 OH229210 3.338 2.415 -0.626 + 7634TIP3 H129211 3.356 2.329 -0.670 + 7634TIP3 H229212 3.264 2.448 -0.681 + 7635TIP3 OH229213 3.762 2.464 -2.430 + 7635TIP3 H129214 3.779 2.405 -2.355 + 7635TIP3 H229215 3.848 2.461 -2.476 + 7636TIP3 OH229216 4.010 2.442 -0.700 + 7636TIP3 H129217 3.977 2.474 -0.785 + 7636TIP3 H229218 4.015 2.345 -0.714 + 7637TIP3 OH229219 4.260 2.597 -2.474 + 7637TIP3 H129220 4.279 2.607 -2.379 + 7637TIP3 H229221 4.244 2.501 -2.479 + 7638TIP3 OH229222 3.442 2.157 -0.704 + 7638TIP3 H129223 3.479 2.071 -0.726 + 7638TIP3 H229224 3.388 2.137 -0.627 + 7639TIP3 OH229225 3.872 2.270 -2.194 + 7639TIP3 H129226 3.808 2.219 -2.142 + 7639TIP3 H229227 3.902 2.202 -2.258 + 7640TIP3 OH229228 3.808 2.057 -0.964 + 7640TIP3 H129229 3.737 2.123 -0.963 + 7640TIP3 H229230 3.848 2.071 -1.051 + 7641TIP3 OH229231 3.979 2.072 -2.367 + 7641TIP3 H129232 3.970 2.078 -2.464 + 7641TIP3 H229233 4.075 2.085 -2.356 + 7642TIP3 OH229234 4.285 2.297 -0.598 + 7642TIP3 H129235 4.355 2.267 -0.655 + 7642TIP3 H229236 4.266 2.215 -0.549 + 7643TIP3 OH229237 3.846 1.776 -0.857 + 7643TIP3 H129238 3.869 1.715 -0.928 + 7643TIP3 H229239 3.839 1.860 -0.905 + 7644TIP3 OH229240 3.908 1.640 -1.145 + 7644TIP3 H129241 3.946 1.712 -1.199 + 7644TIP3 H229242 3.813 1.653 -1.161 + 7645TIP3 OH229243 4.082 2.162 -1.072 + 7645TIP3 H129244 4.120 2.145 -1.158 + 7645TIP3 H229245 4.040 2.248 -1.087 + 7646TIP3 OH229246 3.671 1.950 -0.660 + 7646TIP3 H129247 3.621 1.871 -0.688 + 7646TIP3 H229248 3.748 1.945 -0.718 + 7647TIP3 OH229249 3.965 1.375 -1.072 + 7647TIP3 H129250 3.953 1.468 -1.101 + 7647TIP3 H229251 3.902 1.329 -1.130 + 7648TIP3 OH229252 4.105 1.804 -0.696 + 7648TIP3 H129253 4.056 1.781 -0.615 + 7648TIP3 H229254 4.038 1.786 -0.765 + 7649TIP3 OH229255 3.542 1.712 -0.684 + 7649TIP3 H129256 3.522 1.663 -0.765 + 7649TIP3 H229257 3.502 1.656 -0.615 + 7650TIP3 OH229258 3.943 1.308 -0.795 + 7650TIP3 H129259 4.005 1.234 -0.789 + 7650TIP3 H229260 3.943 1.326 -0.891 + 7651TIP3 OH229261 4.033 1.486 -0.598 + 7651TIP3 H129262 4.010 1.433 -0.676 + 7651TIP3 H229263 3.974 1.562 -0.606 + 7652TIP3 OH229264 3.956 3.194 -2.259 + 7652TIP3 H129265 4.052 3.202 -2.251 + 7652TIP3 H229266 3.941 3.243 -2.341 + 7653TIP3 OH229267 3.334 2.637 -2.306 + 7653TIP3 H129268 3.429 2.656 -2.293 + 7653TIP3 H229269 3.337 2.559 -2.365 + 7654TIP3 OH229270 3.234 3.154 -1.830 + 7654TIP3 H129271 3.162 3.116 -1.883 + 7654TIP3 H229272 3.244 3.085 -1.760 + 7655TIP3 OH229273 3.272 2.946 -1.630 + 7655TIP3 H129274 3.242 2.858 -1.597 + 7655TIP3 H229275 3.305 2.978 -1.544 + 7656TIP3 OH229276 3.256 2.259 -1.396 + 7656TIP3 H129277 3.269 2.327 -1.464 + 7656TIP3 H229278 3.335 2.271 -1.340 + 7657TIP3 OH229279 3.272 1.836 -0.696 + 7657TIP3 H129280 3.336 1.838 -0.768 + 7657TIP3 H229281 3.198 1.788 -0.735 + 7658TIP3 OH229282 3.362 1.675 -1.469 + 7658TIP3 H129283 3.405 1.588 -1.460 + 7658TIP3 H229284 3.430 1.733 -1.432 + 7659TIP3 OH229285 3.202 1.950 -1.358 + 7659TIP3 H129286 3.266 1.939 -1.430 + 7659TIP3 H229287 3.227 2.039 -1.328 + 7660TIP3 OH229288 3.236 1.558 -1.970 + 7660TIP3 H129289 3.143 1.583 -1.984 + 7660TIP3 H229290 3.285 1.620 -2.028 + 7661TIP3 OH229291 3.254 1.448 -1.150 + 7661TIP3 H129292 3.183 1.430 -1.086 + 7661TIP3 H229293 3.207 1.504 -1.214 + 7662TIP3 OH229294 3.456 2.760 -0.682 + 7662TIP3 H129295 3.385 2.753 -0.748 + 7662TIP3 H229296 3.406 2.758 -0.599 + 7663TIP3 OH229297 3.743 2.858 -1.112 + 7663TIP3 H129298 3.704 2.939 -1.148 + 7663TIP3 H229299 3.837 2.873 -1.131 + 7664TIP3 OH229300 4.221 3.021 -0.825 + 7664TIP3 H129301 4.204 2.987 -0.736 + 7664TIP3 H229302 4.315 3.044 -0.817 + 7665TIP3 OH229303 3.485 3.164 -1.077 + 7665TIP3 H129304 3.420 3.217 -1.125 + 7665TIP3 H229305 3.441 3.154 -0.992 + 7666TIP3 OH229306 3.731 3.133 -1.224 + 7666TIP3 H129307 3.645 3.147 -1.179 + 7666TIP3 H229308 3.729 3.203 -1.291 + 7667TIP3 OH229309 4.197 3.108 -1.269 + 7667TIP3 H129310 4.177 3.159 -1.350 + 7667TIP3 H229311 4.258 3.167 -1.222 + 7668TIP3 OH229312 3.435 3.036 -1.385 + 7668TIP3 H129313 3.422 2.981 -1.304 + 7668TIP3 H229314 3.504 2.983 -1.429 + 7669TIP3 OH229315 3.638 2.906 -1.551 + 7669TIP3 H129316 3.616 2.817 -1.514 + 7669TIP3 H229317 3.721 2.925 -1.505 + 7670TIP3 OH229318 3.915 2.961 -1.453 + 7670TIP3 H129319 3.933 2.869 -1.475 + 7670TIP3 H229320 3.919 2.959 -1.356 + 7671TIP3 OH229321 4.275 1.504 -1.522 + 7671TIP3 H129322 4.185 1.470 -1.506 + 7671TIP3 H229323 4.292 1.470 -1.610 + 7672TIP3 OH229324 3.478 1.415 -1.768 + 7672TIP3 H129325 3.392 1.397 -1.810 + 7672TIP3 H229326 3.522 1.329 -1.780 + 7673TIP3 OH229327 3.360 1.365 -2.179 + 7673TIP3 H129328 3.412 1.431 -2.228 + 7673TIP3 H229329 3.318 1.419 -2.110 + 7674TIP3 OH229330 3.930 1.397 -1.780 + 7674TIP3 H129331 4.022 1.427 -1.787 + 7674TIP3 H229332 3.922 1.389 -1.684 + 7675TIP3 OH229333 3.383 2.962 -2.067 + 7675TIP3 H129334 3.316 2.950 -2.136 + 7675TIP3 H229335 3.378 3.057 -2.054 + 7676TIP3 OH229336 3.532 1.548 -2.337 + 7676TIP3 H129337 3.592 1.491 -2.388 + 7676TIP3 H229338 3.593 1.582 -2.268 + 7677TIP3 OH229339 4.066 1.562 -2.082 + 7677TIP3 H129340 4.064 1.498 -2.009 + 7677TIP3 H229341 4.062 1.647 -2.033 + 7678TIP3 OH229342 4.263 3.124 -2.254 + 7678TIP3 H129343 4.351 3.162 -2.272 + 7678TIP3 H229344 4.249 3.066 -2.331 + 7679TIP3 OH229345 3.461 1.430 -0.821 + 7679TIP3 H129346 3.426 1.357 -0.768 + 7679TIP3 H229347 3.554 1.431 -0.791 + 7680TIP3 OH229348 3.695 1.378 -0.642 + 7680TIP3 H129349 3.780 1.346 -0.678 + 7680TIP3 H229350 3.665 1.299 -0.594 + 7681TIP3 OH229351 3.524 3.055 -2.384 + 7681TIP3 H129352 3.499 3.080 -2.293 + 7681TIP3 H229353 3.601 2.998 -2.369 + 7682TIP3 OH229354 -3.158 4.202 -1.760 + 7682TIP3 H129355 -3.188 4.294 -1.758 + 7682TIP3 H229356 -3.233 4.161 -1.806 + 7683TIP3 OH229357 -3.280 4.133 -1.432 + 7683TIP3 H129358 -3.275 4.080 -1.350 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OH229384 -3.589 4.018 -1.622 + 7692TIP3 H129385 -3.522 3.959 -1.581 + 7692TIP3 H229386 -3.645 3.953 -1.668 + 7693TIP3 OH229387 -2.487 3.659 -1.065 + 7693TIP3 H129388 -2.543 3.732 -1.096 + 7693TIP3 H229389 -2.509 3.658 -0.971 + 7694TIP3 OH229390 -3.919 3.487 -1.202 + 7694TIP3 H129391 -3.962 3.534 -1.275 + 7694TIP3 H229392 -3.981 3.503 -1.129 + 7695TIP3 OH229393 -3.647 4.266 -1.224 + 7695TIP3 H129394 -3.727 4.319 -1.218 + 7695TIP3 H229395 -3.581 4.337 -1.233 + 7696TIP3 OH229396 -2.830 3.545 -1.583 + 7696TIP3 H129397 -2.873 3.490 -1.516 + 7696TIP3 H229398 -2.779 3.607 -1.528 + 7697TIP3 OH229399 -3.957 3.691 -1.410 + 7697TIP3 H129400 -3.894 3.749 -1.364 + 7697TIP3 H229401 -3.899 3.654 -1.480 + 7698TIP3 OH229402 -2.818 3.459 -1.200 + 7698TIP3 H129403 -2.895 3.501 -1.243 + 7698TIP3 H229404 -2.745 3.481 -1.261 + 7699TIP3 OH229405 -3.505 3.233 -1.494 + 7699TIP3 H129406 -3.529 3.138 -1.500 + 7699TIP3 H229407 -3.588 3.272 -1.457 + 7700TIP3 OH229408 -3.308 4.143 -2.020 + 7700TIP3 H129409 -3.372 4.179 -2.084 + 7700TIP3 H229410 -3.230 4.134 -2.078 + 7701TIP3 OH229411 -3.267 3.942 -2.302 + 7701TIP3 H129412 -3.194 3.979 -2.249 + 7701TIP3 H229413 -3.217 3.892 -2.369 + 7702TIP3 OH229414 -2.556 4.054 -1.196 + 7702TIP3 H129415 -2.620 4.127 -1.182 + 7702TIP3 H229416 -2.504 4.094 -1.269 + 7703TIP3 OH229417 -2.936 4.140 -1.919 + 7703TIP3 H129418 -3.001 4.162 -1.850 + 7703TIP3 H229419 -2.869 4.090 -1.869 + 7704TIP3 OH229420 -2.963 3.980 -1.026 + 7704TIP3 H129421 -2.959 4.057 -0.967 + 7704TIP3 H229422 -3.018 4.018 -1.098 + 7705TIP3 OH229423 -3.771 4.217 -1.730 + 7705TIP3 H129424 -3.800 4.181 -1.816 + 7705TIP3 H229425 -3.702 4.154 -1.704 + 7706TIP3 OH229426 -3.731 4.075 -1.390 + 7706TIP3 H129427 -3.668 4.077 -1.466 + 7706TIP3 H229428 -3.696 4.145 -1.331 + 7707TIP3 OH229429 -3.056 4.074 -2.155 + 7707TIP3 H129430 -2.998 4.101 -2.080 + 7707TIP3 H229431 -3.009 4.119 -2.230 + 7708TIP3 OH229432 -3.957 4.144 -0.989 + 7708TIP3 H129433 -3.949 4.202 -0.910 + 7708TIP3 H229434 -4.048 4.167 -1.015 + 7709TIP3 OH229435 -2.705 3.246 -2.213 + 7709TIP3 H129436 -2.792 3.257 -2.170 + 7709TIP3 H229437 -2.669 3.336 -2.209 + 7710TIP3 OH229438 -3.896 4.087 -1.975 + 7710TIP3 H129439 -3.912 4.164 -2.033 + 7710TIP3 H229440 -3.963 4.024 -2.007 + 7711TIP3 OH229441 -4.201 4.278 -1.110 + 7711TIP3 H129442 -4.258 4.314 -1.180 + 7711TIP3 H229443 -4.264 4.242 -1.045 + 7712TIP3 OH229444 -2.764 3.837 -0.792 + 7712TIP3 H129445 -2.815 3.876 -0.865 + 7712TIP3 H229446 -2.759 3.744 -0.821 + 7713TIP3 OH229447 -3.748 3.348 -1.404 + 7713TIP3 H129448 -3.831 3.339 -1.454 + 7713TIP3 H229449 -3.771 3.421 -1.345 + 7714TIP3 OH229450 -3.311 3.306 -1.039 + 7714TIP3 H129451 -3.259 3.254 -0.975 + 7714TIP3 H229452 -3.402 3.273 -1.026 + 7715TIP3 OH229453 -2.993 3.685 -0.986 + 7715TIP3 H129454 -3.055 3.671 -0.912 + 7715TIP3 H229455 -3.002 3.780 -1.004 + 7716TIP3 OH229456 -2.917 4.176 -2.361 + 7716TIP3 H129457 -2.921 4.158 -2.457 + 7716TIP3 H229458 -2.828 4.216 -2.354 + 7717TIP3 OH229459 -3.330 3.557 -2.312 + 7717TIP3 H129460 -3.380 3.544 -2.230 + 7717TIP3 H229461 -3.371 3.490 -2.369 + 7718TIP3 OH229462 -3.761 3.827 -1.261 + 7718TIP3 H129463 -3.823 3.839 -1.187 + 7718TIP3 H229464 -3.756 3.917 -1.299 + 7719TIP3 OH229465 -3.769 3.833 -1.775 + 7719TIP3 H129466 -3.865 3.830 -1.793 + 7719TIP3 H229467 -3.734 3.817 -1.865 + 7720TIP3 OH229468 -3.207 3.898 -1.895 + 7720TIP3 H129469 -3.252 3.975 -1.934 + 7720TIP3 H229470 -3.139 3.879 -1.962 + 7721TIP3 OH229471 -3.287 3.921 -0.753 + 7721TIP3 H129472 -3.337 3.843 -0.721 + 7721TIP3 H229473 -3.198 3.905 -0.716 + 7722TIP3 OH229474 -3.124 3.830 -1.620 + 7722TIP3 H129475 -3.150 3.885 -1.695 + 7722TIP3 H229476 -3.099 3.749 -1.668 + 7723TIP3 OH229477 -4.023 3.842 -1.080 + 7723TIP3 H129478 -4.000 3.884 -0.996 + 7723TIP3 H229479 -4.052 3.754 -1.051 + 7724TIP3 OH229480 -3.687 3.603 -2.419 + 7724TIP3 H129481 -3.724 3.565 -2.338 + 7724TIP3 H229482 -3.764 3.617 -2.474 + 7725TIP3 OH229483 -4.320 3.604 -1.714 + 7725TIP3 H129484 -4.304 3.580 -1.620 + 7725TIP3 H229485 -4.278 3.532 -1.760 + 7726TIP3 OH229486 -4.208 3.645 -2.131 + 7726TIP3 H129487 -4.148 3.674 -2.202 + 7726TIP3 H229488 -4.291 3.687 -2.157 + 7727TIP3 OH229489 -3.225 3.997 -1.177 + 7727TIP3 H129490 -3.170 3.930 -1.224 + 7727TIP3 H229491 -3.251 3.947 -1.098 + 7728TIP3 OH229492 -3.491 3.592 -1.671 + 7728TIP3 H129493 -3.585 3.591 -1.648 + 7728TIP3 H229494 -3.449 3.577 -1.585 + 7729TIP3 OH229495 -4.041 3.720 -1.809 + 7729TIP3 H129496 -4.115 3.735 -1.871 + 7729TIP3 H229497 -4.003 3.637 -1.843 + 7730TIP3 OH229498 -3.671 3.749 -2.037 + 7730TIP3 H129499 -3.574 3.758 -2.030 + 7730TIP3 H229500 -3.695 3.811 -2.108 + 7731TIP3 OH229501 -3.052 3.506 -1.370 + 7731TIP3 H129502 -3.115 3.508 -1.295 + 7731TIP3 H229503 -3.111 3.474 -1.440 + 7732TIP3 OH229504 -3.826 3.878 -2.259 + 7732TIP3 H129505 -3.882 3.844 -2.330 + 7732TIP3 H229506 -3.744 3.897 -2.307 + 7733TIP3 OH229507 -3.956 4.308 -0.775 + 7733TIP3 H129508 -3.891 4.357 -0.721 + 7733TIP3 H229509 -4.036 4.321 -0.721 + 7734TIP3 OH229510 -3.391 3.848 -1.490 + 7734TIP3 H129511 -3.314 3.808 -1.533 + 7734TIP3 H229512 -3.404 3.789 -1.413 + 7735TIP3 OH229513 -3.873 3.485 -1.864 + 7735TIP3 H129514 -3.917 3.399 -1.859 + 7735TIP3 H229515 -3.792 3.464 -1.912 + 7736TIP3 OH229516 -3.492 3.694 -1.265 + 7736TIP3 H129517 -3.569 3.753 -1.264 + 7736TIP3 H229518 -3.442 3.721 -1.185 + 7737TIP3 OH229519 -3.526 4.365 -2.046 + 7737TIP3 H129520 -3.558 4.301 -2.112 + 7737TIP3 H229521 -3.465 4.317 -1.990 + 7738TIP3 OH229522 -2.731 4.265 -1.207 + 7738TIP3 H129523 -2.704 4.311 -1.289 + 7738TIP3 H229524 -2.826 4.256 -1.227 + 7739TIP3 OH229525 -3.062 3.615 -2.297 + 7739TIP3 H129526 -3.160 3.615 -2.302 + 7739TIP3 H229527 -3.043 3.689 -2.236 + 7740TIP3 OH229528 -2.994 3.798 -2.090 + 7740TIP3 H129529 -2.906 3.781 -2.052 + 7740TIP3 H229530 -2.982 3.885 -2.132 + 7741TIP3 OH229531 -3.973 4.217 -1.543 + 7741TIP3 H129532 -3.885 4.232 -1.584 + 7741TIP3 H229533 -3.949 4.167 -1.464 + 7742TIP3 OH229534 -4.283 4.108 -0.919 + 7742TIP3 H129535 -4.237 4.047 -0.858 + 7742TIP3 H229536 -4.299 4.053 -0.999 + 7743TIP3 OH229537 -3.542 4.050 -0.765 + 7743TIP3 H129538 -3.577 4.027 -0.853 + 7743TIP3 H229539 -3.447 4.028 -0.777 + 7744TIP3 OH229540 -2.537 3.798 -2.118 + 7744TIP3 H129541 -2.591 3.779 -2.197 + 7744TIP3 H229542 -2.523 3.894 -2.132 + 7745TIP3 OH229543 -2.989 4.181 -1.340 + 7745TIP3 H129544 -3.080 4.182 -1.373 + 7745TIP3 H229545 -2.941 4.135 -1.410 + 7746TIP3 OH229546 -4.159 4.100 -2.297 + 7746TIP3 H129547 -4.083 4.146 -2.257 + 7746TIP3 H229548 -4.229 4.164 -2.277 + 7747TIP3 OH229549 -4.100 3.572 -1.001 + 7747TIP3 H129550 -4.185 3.608 -1.032 + 7747TIP3 H229551 -4.123 3.487 -0.961 + 7748TIP3 OH229552 -3.960 -4.393 -2.135 + 7748TIP3 H129553 -4.051 -4.358 -2.127 + 7748TIP3 H229554 -3.911 -4.312 -2.154 + 7749TIP3 OH229555 -3.209 3.548 -1.151 + 7749TIP3 H129556 -3.149 3.576 -1.080 + 7749TIP3 H229557 -3.259 3.475 -1.109 + 7750TIP3 OH229558 -3.146 3.493 -2.024 + 7750TIP3 H129559 -3.128 3.545 -2.103 + 7750TIP3 H229560 -3.100 3.544 -1.955 + 7751TIP3 OH229561 -3.404 3.692 -1.929 + 7751TIP3 H129562 -3.328 3.752 -1.915 + 7751TIP3 H229563 -3.434 3.675 -1.837 + 7752TIP3 OH229564 -3.365 3.790 -1.012 + 7752TIP3 H129565 -3.361 3.841 -0.929 + 7752TIP3 H229566 -3.316 3.711 -0.988 + 7753TIP3 OH229567 -3.346 3.393 -1.835 + 7753TIP3 H129568 -3.366 3.463 -1.770 + 7753TIP3 H229569 -3.273 3.435 -1.885 + 7754TIP3 OH229570 -3.774 3.494 -2.177 + 7754TIP3 H129571 -3.765 3.575 -2.123 + 7754TIP3 H229572 -3.692 3.447 -2.153 + 7755TIP3 OH229573 -2.741 3.583 -0.924 + 7755TIP3 H129574 -2.836 3.597 -0.940 + 7755TIP3 H229575 -2.714 3.564 -1.015 + 7756TIP3 OH229576 -2.887 3.967 -1.530 + 7756TIP3 H129577 -2.972 3.922 -1.548 + 7756TIP3 H229578 -2.840 3.899 -1.476 + 7757TIP3 OH229579 -4.113 3.799 -2.362 + 7757TIP3 H129580 -4.108 3.892 -2.337 + 7757TIP3 H229581 -4.198 3.789 -2.404 + 7758TIP3 OH229582 -4.024 3.294 -1.489 + 7758TIP3 H129583 -4.059 3.294 -1.580 + 7758TIP3 H229584 -4.069 3.216 -1.450 + 7759TIP3 OH229585 -4.199 4.349 -0.666 + 7759TIP3 H129586 -4.194 4.253 -0.660 + 7759TIP3 H229587 -4.294 4.361 -0.647 + 7760TIP3 OH229588 -3.586 4.329 -0.727 + 7760TIP3 H129589 -3.585 4.345 -0.823 + 7760TIP3 H229590 -3.551 4.237 -0.723 + 7761TIP3 OH229591 -2.985 -4.376 -0.952 + 7761TIP3 H129592 -2.905 -4.333 -0.986 + 7761TIP3 H229593 -3.052 -4.310 -0.971 + 7762TIP3 OH229594 -4.130 4.021 -0.700 + 7762TIP3 H129595 -4.050 3.966 -0.708 + 7762TIP3 H229596 -4.132 4.037 -0.604 + 7763TIP3 OH229597 -3.662 4.161 -2.200 + 7763TIP3 H129598 -3.727 4.120 -2.142 + 7763TIP3 H229599 -3.646 4.092 -2.267 + 7764TIP3 OH229600 -3.746 3.934 -0.966 + 7764TIP3 H129601 -3.806 4.009 -0.950 + 7764TIP3 H229602 -3.685 3.970 -1.032 + 7765TIP3 OH229603 -3.578 3.957 -2.373 + 7765TIP3 H129604 -3.580 3.972 -2.470 + 7765TIP3 H229605 -3.482 3.955 -2.356 + 7766TIP3 OH229606 -3.218 4.216 -0.612 + 7766TIP3 H129607 -3.131 4.196 -0.649 + 7766TIP3 H229608 -3.252 4.129 -0.589 + 7767TIP3 OH229609 -2.650 4.189 -2.450 + 7767TIP3 H129610 -2.657 4.183 -2.547 + 7767TIP3 H229611 -2.644 4.285 -2.434 + 7768TIP3 OH229612 -3.690 3.663 -0.856 + 7768TIP3 H129613 -3.684 3.598 -0.928 + 7768TIP3 H229614 -3.711 3.744 -0.905 + 7769TIP3 OH229615 -3.656 3.510 -1.112 + 7769TIP3 H129616 -3.605 3.563 -1.175 + 7769TIP3 H229617 -3.748 3.514 -1.147 + 7770TIP3 OH229618 -3.506 4.067 -1.080 + 7770TIP3 H129619 -3.422 4.056 -1.128 + 7770TIP3 H229620 -3.541 4.148 -1.121 + 7771TIP3 OH229621 -3.043 3.849 -0.593 + 7771TIP3 H129622 -3.022 3.755 -0.581 + 7771TIP3 H229623 -2.954 3.888 -0.599 + 7772TIP3 OH229624 -2.947 4.136 -0.758 + 7772TIP3 H129625 -2.971 4.208 -0.821 + 7772TIP3 H229626 -2.856 4.119 -0.786 + 7773TIP3 OH229627 -3.878 3.853 -0.677 + 7773TIP3 H129628 -3.931 3.771 -0.678 + 7773TIP3 H229629 -3.797 3.826 -0.722 + 7774TIP3 OH229630 -3.585 3.243 -1.076 + 7774TIP3 H129631 -3.602 3.338 -1.093 + 7774TIP3 H229632 -3.656 3.201 -1.129 + 7775TIP3 OH229633 -3.457 3.700 -0.698 + 7775TIP3 H129634 -3.493 3.681 -0.609 + 7775TIP3 H229635 -3.537 3.681 -0.752 + 7776TIP3 OH229636 -3.205 3.606 -0.811 + 7776TIP3 H129637 -3.293 3.612 -0.769 + 7776TIP3 H229638 -3.160 3.543 -0.752 + 7777TIP3 OH229639 -3.019 3.453 -0.637 + 7777TIP3 H129640 -3.036 3.358 -0.621 + 7777TIP3 H229641 -3.038 3.495 -0.551 + 7778TIP3 OH229642 -4.013 3.597 -0.694 + 7778TIP3 H129643 -4.017 3.525 -0.759 + 7778TIP3 H229644 -4.033 3.552 -0.611 + 7779TIP3 OH229645 -3.601 3.192 -0.795 + 7779TIP3 H129646 -3.542 3.115 -0.790 + 7779TIP3 H229647 -3.604 3.207 -0.891 + 7780TIP3 OH229648 -3.506 3.378 -0.608 + 7780TIP3 H129649 -3.537 3.319 -0.681 + 7780TIP3 H229650 -3.574 3.447 -0.607 + 7781TIP3 OH229651 -2.570 4.358 -2.014 + 7781TIP3 H129652 -2.474 4.365 -2.025 + 7781TIP3 H229653 -2.582 4.277 -1.962 + 7782TIP3 OH229654 -2.532 4.133 -1.847 + 7782TIP3 H129655 -2.608 4.089 -1.806 + 7782TIP3 H229656 -2.473 4.151 -1.772 + 7783TIP3 OH229657 -2.514 4.093 -2.194 + 7783TIP3 H129658 -2.576 4.117 -2.265 + 7783TIP3 H229659 -2.526 4.168 -2.134 + 7784TIP3 OH229660 -2.687 3.843 -2.361 + 7784TIP3 H129661 -2.666 3.907 -2.431 + 7784TIP3 H229662 -2.710 3.762 -2.411 + 7785TIP3 OH229663 -2.758 3.966 -1.773 + 7785TIP3 H129664 -2.759 3.869 -1.786 + 7785TIP3 H229665 -2.793 3.974 -1.681 + 7786TIP3 OH229666 -4.247 4.214 -1.388 + 7786TIP3 H129667 -4.231 4.179 -1.476 + 7786TIP3 H229668 -4.178 4.170 -1.334 + 7787TIP3 OH229669 -2.672 4.161 -0.849 + 7787TIP3 H129670 -2.599 4.101 -0.823 + 7787TIP3 H229671 -2.629 4.243 -0.876 + 7788TIP3 OH229672 -2.529 3.965 -0.734 + 7788TIP3 H129673 -2.610 3.912 -0.752 + 7788TIP3 H229674 -2.461 3.895 -0.730 + 7789TIP3 OH229675 -2.740 3.579 -2.442 + 7789TIP3 H129676 -2.681 3.530 -2.382 + 7789TIP3 H229677 -2.820 3.524 -2.447 + 7790TIP3 OH229678 -2.759 3.706 -1.946 + 7790TIP3 H129679 -2.733 3.611 -1.941 + 7790TIP3 H229680 -2.678 3.743 -1.987 + 7791TIP3 OH229681 -2.737 3.766 -1.403 + 7791TIP3 H129682 -2.640 3.780 -1.406 + 7791TIP3 H229683 -2.752 3.772 -1.308 + 7792TIP3 OH229684 -2.720 3.837 -1.121 + 7792TIP3 H129685 -2.806 3.876 -1.096 + 7792TIP3 H229686 -2.668 3.917 -1.145 + 7793TIP3 OH229687 -4.289 3.703 -0.770 + 7793TIP3 H129688 -4.200 3.665 -0.759 + 7793TIP3 H229689 -4.349 3.634 -0.740 + 7794TIP3 OH229690 -2.463 3.253 -0.592 + 7794TIP3 H129691 -2.423 3.184 -0.648 + 7794TIP3 H229692 -2.462 3.330 -0.651 + 7795TIP3 OH229693 -2.713 3.427 -1.949 + 7795TIP3 H129694 -2.701 3.396 -1.858 + 7795TIP3 H229695 -2.792 3.378 -1.977 + 7796TIP3 OH229696 -4.194 3.556 -1.451 + 7796TIP3 H129697 -4.159 3.466 -1.445 + 7796TIP3 H229698 -4.117 3.611 -1.425 + 7797TIP3 OH229699 -4.327 3.815 -1.357 + 7797TIP3 H129700 -4.292 3.766 -1.433 + 7797TIP3 H229701 -4.308 3.906 -1.381 + 7798TIP3 OH229702 -2.526 3.457 -0.767 + 7798TIP3 H129703 -2.614 3.500 -0.762 + 7798TIP3 H229704 -2.539 3.403 -0.847 + 7799TIP3 OH229705 -2.517 3.476 -2.284 + 7799TIP3 H129706 -2.483 3.395 -2.327 + 7799TIP3 H229707 -2.436 3.528 -2.272 + 7800TIP3 OH229708 -4.315 3.428 -2.009 + 7800TIP3 H129709 -4.400 3.459 -2.044 + 7800TIP3 H229710 -4.256 3.500 -2.042 + 7801TIP3 OH229711 -4.292 3.321 -1.175 + 7801TIP3 H129712 -4.358 3.316 -1.102 + 7801TIP3 H229713 -4.334 3.379 -1.241 + 7802TIP3 OH229714 -2.639 3.281 -0.969 + 7802TIP3 H129715 -2.719 3.303 -1.020 + 7802TIP3 H229716 -2.618 3.191 -1.003 + 7803TIP3 OH229717 -3.296 3.429 -1.522 + 7803TIP3 H129718 -3.366 3.363 -1.508 + 7803TIP3 H229719 -3.237 3.384 -1.584 + 7804TIP3 OH229720 -2.802 3.229 -1.477 + 7804TIP3 H129721 -2.727 3.276 -1.516 + 7804TIP3 H229722 -2.876 3.262 -1.530 + 7805TIP3 OH229723 -2.594 3.341 -1.692 + 7805TIP3 H129724 -2.521 3.303 -1.744 + 7805TIP3 H229725 -2.562 3.433 -1.680 + 7806TIP3 OH229726 -4.107 3.288 -1.770 + 7806TIP3 H129727 -4.180 3.259 -1.826 + 7806TIP3 H229728 -4.045 3.213 -1.780 + 7807TIP3 OH229729 -4.182 3.249 -2.189 + 7807TIP3 H129730 -4.131 3.316 -2.238 + 7807TIP3 H229731 -4.233 3.305 -2.128 + 7808TIP3 OH229732 -3.615 3.283 -1.779 + 7808TIP3 H129733 -3.524 3.314 -1.794 + 7808TIP3 H229734 -3.617 3.276 -1.683 + 7809TIP3 OH229735 -3.054 3.287 -1.638 + 7809TIP3 H129736 -3.030 3.273 -1.731 + 7809TIP3 H229737 -3.094 3.202 -1.615 + 7810TIP3 OH229738 -2.945 3.288 -2.039 + 7810TIP3 H129739 -3.026 3.339 -2.053 + 7810TIP3 H229740 -2.980 3.198 -2.029 + 7811TIP3 OH229741 -4.006 3.437 -2.335 + 7811TIP3 H129742 -3.948 3.379 -2.387 + 7811TIP3 H229743 -3.944 3.467 -2.265 + 7812TIP3 OH229744 -3.500 3.451 -2.074 + 7812TIP3 H129745 -3.464 3.394 -2.004 + 7812TIP3 H229746 -3.478 3.538 -2.037 + 7813TIP3 OH229747 -4.079 3.327 -0.818 + 7813TIP3 H129748 -4.125 3.252 -0.777 + 7813TIP3 H229749 -3.988 3.312 -0.787 + 7814TIP3 OH229750 -3.844 3.264 -0.641 + 7814TIP3 H129751 -3.762 3.228 -0.681 + 7814TIP3 H229752 -3.879 3.185 -0.596 + 7815TIP3 OH229753 -3.031 3.173 -0.625 + 7815TIP3 H129754 -3.027 3.133 -0.536 + 7815TIP3 H229755 -2.937 3.171 -0.650 + 7816TIP3 OH229756 -1.272 4.203 -1.762 + 7816TIP3 H129757 -1.304 4.294 -1.759 + 7816TIP3 H229758 -1.346 4.159 -1.806 + 7817TIP3 OH229759 -1.391 4.132 -1.432 + 7817TIP3 H129760 -1.389 4.080 -1.351 + 7817TIP3 H229761 -1.418 4.067 -1.498 + 7818TIP3 OH229762 -2.149 4.082 -1.271 + 7818TIP3 H129763 -2.150 4.007 -1.209 + 7818TIP3 H229764 -2.074 4.133 -1.237 + 7819TIP3 OH229765 -2.379 3.885 -1.878 + 7819TIP3 H129766 -2.421 3.972 -1.872 + 7819TIP3 H229767 -2.448 3.833 -1.921 + 7820TIP3 OH229768 -2.284 4.135 -1.693 + 7820TIP3 H129769 -2.285 4.055 -1.637 + 7820TIP3 H229770 -2.204 4.120 -1.744 + 7821TIP3 OH229771 -0.669 3.519 -1.311 + 7821TIP3 H129772 -0.652 3.586 -1.243 + 7821TIP3 H229773 -0.615 3.553 -1.384 + 7822TIP3 OH229774 -1.208 3.804 -1.326 + 7822TIP3 H129775 -1.197 3.708 -1.324 + 7822TIP3 H229776 -1.222 3.820 -1.421 + 7823TIP3 OH229777 -1.916 3.605 -1.618 + 7823TIP3 H129778 -1.898 3.689 -1.664 + 7823TIP3 H229779 -1.945 3.551 -1.694 + 7824TIP3 OH229780 -1.125 3.628 -1.781 + 7824TIP3 H129781 -1.066 3.581 -1.719 + 7824TIP3 H229782 -1.062 3.666 -1.843 + 7825TIP3 OH229783 -2.247 3.876 -1.568 + 7825TIP3 H129784 -2.182 3.831 -1.512 + 7825TIP3 H229785 -2.235 3.829 -1.653 + 7826TIP3 OH229786 -1.705 4.018 -1.619 + 7826TIP3 H129787 -1.636 3.960 -1.581 + 7826TIP3 H229788 -1.757 3.955 -1.671 + 7827TIP3 OH229789 -0.600 3.659 -1.064 + 7827TIP3 H129790 -0.658 3.732 -1.095 + 7827TIP3 H229791 -0.624 3.657 -0.970 + 7828TIP3 OH229792 -2.036 3.483 -1.201 + 7828TIP3 H129793 -2.074 3.533 -1.275 + 7828TIP3 H229794 -2.101 3.502 -1.131 + 7829TIP3 OH229795 -1.761 4.266 -1.225 + 7829TIP3 H129796 -1.842 4.320 -1.220 + 7829TIP3 H229797 -1.695 4.337 -1.233 + 7830TIP3 OH229798 -0.938 3.543 -1.583 + 7830TIP3 H129799 -0.988 3.488 -1.520 + 7830TIP3 H229800 -0.895 3.608 -1.524 + 7831TIP3 OH229801 -2.073 3.688 -1.408 + 7831TIP3 H129802 -2.009 3.746 -1.362 + 7831TIP3 H229803 -2.017 3.653 -1.481 + 7832TIP3 OH229804 -0.931 3.461 -1.198 + 7832TIP3 H129805 -1.009 3.500 -1.243 + 7832TIP3 H229806 -0.860 3.480 -1.263 + 7833TIP3 OH229807 -1.620 3.231 -1.491 + 7833TIP3 H129808 -1.646 3.137 -1.498 + 7833TIP3 H229809 -1.704 3.271 -1.458 + 7834TIP3 OH229810 -1.421 4.144 -2.018 + 7834TIP3 H129811 -1.487 4.176 -2.082 + 7834TIP3 H229812 -1.344 4.132 -2.076 + 7835TIP3 OH229813 -1.383 3.947 -2.305 + 7835TIP3 H129814 -1.309 3.979 -2.250 + 7835TIP3 H229815 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-1.970 + 7844TIP3 H129841 -2.027 4.167 -2.032 + 7844TIP3 H229842 -2.069 4.023 -2.011 + 7845TIP3 OH229843 -2.418 4.308 -1.096 + 7845TIP3 H129844 -2.412 4.293 -1.192 + 7845TIP3 H229845 -2.380 4.225 -1.060 + 7846TIP3 OH229846 -0.879 3.838 -0.793 + 7846TIP3 H129847 -0.930 3.876 -0.866 + 7846TIP3 H229848 -0.874 3.744 -0.820 + 7847TIP3 OH229849 -1.862 3.345 -1.398 + 7847TIP3 H129850 -1.939 3.342 -1.458 + 7847TIP3 H229851 -1.883 3.424 -1.347 + 7848TIP3 OH229852 -1.425 3.306 -1.038 + 7848TIP3 H129853 -1.372 3.254 -0.975 + 7848TIP3 H229854 -1.515 3.272 -1.026 + 7849TIP3 OH229855 -1.106 3.685 -0.985 + 7849TIP3 H129856 -1.170 3.671 -0.912 + 7849TIP3 H229857 -1.117 3.780 -1.004 + 7850TIP3 OH229858 -1.029 4.176 -2.361 + 7850TIP3 H129859 -1.037 4.159 -2.457 + 7850TIP3 H229860 -0.940 4.215 -2.355 + 7851TIP3 OH229861 -1.450 3.564 -2.309 + 7851TIP3 H129862 -1.497 3.556 -2.225 + 7851TIP3 H229863 -1.491 3.491 -2.359 + 7852TIP3 OH229864 -1.875 3.824 -1.259 + 7852TIP3 H129865 -1.937 3.839 -1.186 + 7852TIP3 H229866 -1.867 3.914 -1.298 + 7853TIP3 OH229867 -1.882 3.836 -1.773 + 7853TIP3 H129868 -1.976 3.825 -1.793 + 7853TIP3 H229869 -1.843 3.818 -1.862 + 7854TIP3 OH229870 -1.327 3.895 -1.894 + 7854TIP3 H129871 -1.376 3.968 -1.936 + 7854TIP3 H229872 -1.262 3.872 -1.962 + 7855TIP3 OH229873 -1.401 3.921 -0.752 + 7855TIP3 H129874 -1.452 3.843 -0.721 + 7855TIP3 H229875 -1.312 3.904 -0.716 + 7856TIP3 OH229876 -1.236 3.834 -1.622 + 7856TIP3 H129877 -1.268 3.885 -1.698 + 7856TIP3 H229878 -1.213 3.751 -1.669 + 7857TIP3 OH229879 -2.138 3.841 -1.083 + 7857TIP3 H129880 -2.115 3.879 -0.998 + 7857TIP3 H229881 -2.173 3.754 -1.057 + 7858TIP3 OH229882 -1.804 3.614 -2.422 + 7858TIP3 H129883 -1.834 3.573 -2.338 + 7858TIP3 H229884 -1.883 3.609 -2.477 + 7859TIP3 OH229885 -2.459 3.586 -1.714 + 7859TIP3 H129886 -2.397 3.590 -1.638 + 7859TIP3 H229887 -2.404 3.553 -1.786 + 7860TIP3 OH229888 -2.301 3.633 -2.142 + 7860TIP3 H129889 -2.243 3.679 -2.207 + 7860TIP3 H229890 -2.369 3.701 -2.127 + 7861TIP3 OH229891 -1.338 3.997 -1.175 + 7861TIP3 H129892 -1.285 3.931 -1.225 + 7861TIP3 H229893 -1.366 3.944 -1.098 + 7862TIP3 OH229894 -1.602 3.593 -1.670 + 7862TIP3 H129895 -1.697 3.585 -1.652 + 7862TIP3 H229896 -1.564 3.573 -1.583 + 7863TIP3 OH229897 -2.152 3.714 -1.801 + 7863TIP3 H129898 -2.228 3.742 -1.854 + 7863TIP3 H229899 -2.116 3.638 -1.851 + 7864TIP3 OH229900 -1.785 3.766 -2.027 + 7864TIP3 H129901 -1.690 3.742 -2.029 + 7864TIP3 H229902 -1.799 3.814 -2.110 + 7865TIP3 OH229903 -1.163 3.508 -1.368 + 7865TIP3 H129904 -1.229 3.510 -1.296 + 7865TIP3 H229905 -1.220 3.471 -1.439 + 7866TIP3 OH229906 -1.945 3.881 -2.259 + 7866TIP3 H129907 -1.996 3.840 -2.330 + 7866TIP3 H229908 -1.860 3.896 -2.304 + 7867TIP3 OH229909 -2.047 4.316 -0.792 + 7867TIP3 H129910 -1.990 4.365 -0.729 + 7867TIP3 H229911 -2.128 4.305 -0.737 + 7868TIP3 OH229912 -1.503 3.851 -1.486 + 7868TIP3 H129913 -1.436 3.806 -1.539 + 7868TIP3 H229914 -1.517 3.788 -1.413 + 7869TIP3 OH229915 -1.971 3.491 -1.876 + 7869TIP3 H129916 -2.017 3.408 -1.861 + 7869TIP3 H229917 -1.887 3.460 -1.915 + 7870TIP3 OH229918 -1.608 3.692 -1.263 + 7870TIP3 H129919 -1.684 3.753 -1.265 + 7870TIP3 H229920 -1.557 3.721 -1.185 + 7871TIP3 OH229921 -1.637 4.365 -2.050 + 7871TIP3 H129922 -1.674 4.300 -2.112 + 7871TIP3 H229923 -1.582 4.314 -1.989 + 7872TIP3 OH229924 -0.844 4.266 -1.208 + 7872TIP3 H129925 -0.821 4.312 -1.291 + 7872TIP3 H229926 -0.939 4.256 -1.224 + 7873TIP3 OH229927 -1.181 3.624 -2.306 + 7873TIP3 H129928 -1.279 3.613 -2.302 + 7873TIP3 H229929 -1.163 3.687 -2.234 + 7874TIP3 OH229930 -1.111 3.798 -2.089 + 7874TIP3 H129931 -1.023 3.781 -2.051 + 7874TIP3 H229932 -1.099 3.884 -2.132 + 7875TIP3 OH229933 -2.051 4.248 -1.505 + 7875TIP3 H129934 -1.991 4.240 -1.582 + 7875TIP3 H229935 -2.038 4.162 -1.462 + 7876TIP3 OH229936 -2.344 4.079 -0.970 + 7876TIP3 H129937 -2.336 4.042 -0.880 + 7876TIP3 H229938 -2.420 4.031 -1.007 + 7877TIP3 OH229939 -1.656 4.048 -0.765 + 7877TIP3 H129940 -1.690 4.028 -0.854 + 7877TIP3 H229941 -1.562 4.028 -0.776 + 7878TIP3 OH229942 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-0.928 + 7886TIP3 H229968 -1.431 3.711 -0.991 + 7887TIP3 OH229969 -1.405 3.395 -1.789 + 7887TIP3 H129970 -1.486 3.448 -1.780 + 7887TIP3 H229971 -1.396 3.394 -1.886 + 7888TIP3 OH229972 -1.886 3.502 -2.186 + 7888TIP3 H129973 -1.879 3.573 -2.120 + 7888TIP3 H229974 -1.813 3.443 -2.153 + 7889TIP3 OH229975 -0.855 3.583 -0.925 + 7889TIP3 H129976 -0.951 3.598 -0.939 + 7889TIP3 H229977 -0.831 3.562 -1.016 + 7890TIP3 OH229978 -1.001 3.967 -1.530 + 7890TIP3 H129979 -1.087 3.925 -1.551 + 7890TIP3 H229980 -0.957 3.898 -1.476 + 7891TIP3 OH229981 -2.236 3.799 -2.361 + 7891TIP3 H129982 -2.218 3.894 -2.344 + 7891TIP3 H229983 -2.320 3.802 -2.407 + 7892TIP3 OH229984 -2.143 3.305 -1.484 + 7892TIP3 H129985 -2.157 3.304 -1.581 + 7892TIP3 H229986 -2.176 3.218 -1.457 + 7893TIP3 OH229987 -2.292 4.306 -0.679 + 7893TIP3 H129988 -2.315 4.212 -0.678 + 7893TIP3 H229989 -2.372 4.351 -0.707 + 7894TIP3 OH229990 -1.702 4.328 -0.726 + 7894TIP3 H129991 -1.701 4.346 -0.823 + 7894TIP3 H229992 -1.666 4.238 -0.723 + 7895TIP3 OH229993 -1.099 -4.376 -0.952 + 7895TIP3 H129994 -1.020 -4.330 -0.986 + 7895TIP3 H229995 -1.168 -4.312 -0.972 + 7896TIP3 OH229996 -2.235 4.023 -0.707 + 7896TIP3 H129997 -2.156 3.966 -0.714 + 7896TIP3 H229998 -2.233 4.045 -0.612 + 7897TIP3 OH229999 -1.777 4.161 -2.199 + 7897TIP3 H130000 -1.840 4.117 -2.142 + 7897TIP3 H230001 -1.760 4.094 -2.267 + 7898TIP3 OH230002 -1.862 3.933 -0.966 + 7898TIP3 H130003 -1.918 4.011 -0.951 + 7898TIP3 H230004 -1.798 3.968 -1.032 + 7899TIP3 OH230005 -1.693 3.959 -2.372 + 7899TIP3 H130006 -1.695 3.970 -2.469 + 7899TIP3 H230007 -1.597 3.955 -2.355 + 7900TIP3 OH230008 -1.332 4.215 -0.610 + 7900TIP3 H130009 -1.246 4.197 -0.649 + 7900TIP3 H230010 -1.366 4.127 -0.591 + 7901TIP3 OH230011 -0.760 4.189 -2.451 + 7901TIP3 H130012 -0.774 4.184 -2.547 + 7901TIP3 H230013 -0.761 4.286 -2.432 + 7902TIP3 OH230014 -1.805 3.663 -0.856 + 7902TIP3 H130015 -1.798 3.598 -0.929 + 7902TIP3 H230016 -1.824 3.745 -0.905 + 7903TIP3 OH230017 -1.771 3.510 -1.112 + 7903TIP3 H130018 -1.718 3.563 -1.174 + 7903TIP3 H230019 -1.861 3.515 -1.148 + 7904TIP3 OH230020 -1.621 4.067 -1.079 + 7904TIP3 H130021 -1.537 4.055 -1.127 + 7904TIP3 H230022 -1.656 4.148 -1.120 + 7905TIP3 OH230023 -1.157 3.849 -0.593 + 7905TIP3 H130024 -1.136 3.755 -0.581 + 7905TIP3 H230025 -1.069 3.888 -0.598 + 7906TIP3 OH230026 -1.063 4.137 -0.757 + 7906TIP3 H130027 -1.086 4.209 -0.821 + 7906TIP3 H230028 -0.972 4.116 -0.787 + 7907TIP3 OH230029 -1.989 3.850 -0.675 + 7907TIP3 H130030 -2.039 3.766 -0.678 + 7907TIP3 H230031 -1.907 3.826 -0.721 + 7908TIP3 OH230032 -1.701 3.243 -1.074 + 7908TIP3 H130033 -1.715 3.339 -1.092 + 7908TIP3 H230034 -1.769 3.203 -1.131 + 7909TIP3 OH230035 -1.571 3.700 -0.698 + 7909TIP3 H130036 -1.607 3.680 -0.609 + 7909TIP3 H230037 -1.651 3.682 -0.752 + 7910TIP3 OH230038 -1.319 3.606 -0.810 + 7910TIP3 H130039 -1.407 3.612 -0.769 + 7910TIP3 H230040 -1.274 3.543 -0.752 + 7911TIP3 OH230041 -1.133 3.453 -0.637 + 7911TIP3 H130042 -1.152 3.358 -0.621 + 7911TIP3 H230043 -1.153 3.494 -0.551 + 7912TIP3 OH230044 -2.116 3.594 -0.692 + 7912TIP3 H130045 -2.125 3.526 -0.760 + 7912TIP3 H230046 -2.141 3.545 -0.611 + 7913TIP3 OH230047 -1.717 3.191 -0.794 + 7913TIP3 H130048 -1.654 3.117 -0.789 + 7913TIP3 H230049 -1.719 3.208 -0.890 + 7914TIP3 OH230050 -1.623 3.377 -0.606 + 7914TIP3 H130051 -1.653 3.319 -0.679 + 7914TIP3 H230052 -1.690 3.447 -0.606 + 7915TIP3 OH230053 -0.682 4.361 -2.012 + 7915TIP3 H130054 -0.586 4.360 -2.025 + 7915TIP3 H230055 -0.699 4.279 -1.964 + 7916TIP3 OH230056 -0.645 4.132 -1.848 + 7916TIP3 H130057 -0.723 4.088 -1.808 + 7916TIP3 H230058 -0.590 4.152 -1.770 + 7917TIP3 OH230059 -0.626 4.094 -2.195 + 7917TIP3 H130060 -0.690 4.116 -2.266 + 7917TIP3 H230061 -0.642 4.167 -2.134 + 7918TIP3 OH230062 -0.798 3.842 -2.361 + 7918TIP3 H130063 -0.781 3.906 -2.432 + 7918TIP3 H230064 -0.824 3.762 -2.411 + 7919TIP3 OH230065 -0.870 3.965 -1.772 + 7919TIP3 H130066 -0.875 3.870 -1.787 + 7919TIP3 H230067 -0.908 3.973 -1.681 + 7920TIP3 OH230068 -2.385 4.187 -1.374 + 7920TIP3 H130069 -2.375 4.203 -1.469 + 7920TIP3 H230070 -2.294 4.160 -1.349 + 7921TIP3 OH230071 -0.784 4.159 -0.856 + 7921TIP3 H130072 -0.712 4.101 -0.823 + 7921TIP3 H230073 -0.742 4.245 -0.874 + 7922TIP3 OH230074 -0.644 3.966 -0.732 + 7922TIP3 H130075 -0.725 3.913 -0.752 + 7922TIP3 H230076 -0.576 3.897 -0.730 + 7923TIP3 OH230077 -0.854 3.577 -2.444 + 7923TIP3 H130078 -0.800 3.528 -2.379 + 7923TIP3 H230079 -0.937 3.527 -2.449 + 7924TIP3 OH230080 -0.872 3.706 -1.946 + 7924TIP3 H130081 -0.849 3.611 -1.942 + 7924TIP3 H230082 -0.792 3.742 -1.988 + 7925TIP3 OH230083 -0.850 3.764 -1.403 + 7925TIP3 H130084 -0.754 3.780 -1.405 + 7925TIP3 H230085 -0.868 3.772 -1.307 + 7926TIP3 OH230086 -0.833 3.837 -1.121 + 7926TIP3 H130087 -0.920 3.874 -1.096 + 7926TIP3 H230088 -0.783 3.918 -1.144 + 7927TIP3 OH230089 -2.387 3.716 -0.752 + 7927TIP3 H130090 -2.293 3.690 -0.752 + 7927TIP3 H230091 -2.430 3.629 -0.746 + 7928TIP3 OH230092 -0.578 3.254 -0.593 + 7928TIP3 H130093 -0.537 3.184 -0.647 + 7928TIP3 H230094 -0.575 3.331 -0.652 + 7929TIP3 OH230095 -0.824 3.426 -1.949 + 7929TIP3 H130096 -0.823 3.396 -1.857 + 7929TIP3 H230097 -0.904 3.379 -1.982 + 7930TIP3 OH230098 -2.309 3.547 -1.472 + 7930TIP3 H130099 -2.261 3.462 -1.467 + 7930TIP3 H230100 -2.240 3.608 -1.440 + 7931TIP3 OH230101 -2.454 3.815 -1.367 + 7931TIP3 H130102 -2.394 3.812 -1.444 + 7931TIP3 H230103 -2.422 3.894 -1.322 + 7932TIP3 OH230104 -0.640 3.458 -0.769 + 7932TIP3 H130105 -0.727 3.500 -0.762 + 7932TIP3 H230106 -0.655 3.403 -0.848 + 7933TIP3 OH230107 -0.630 3.474 -2.280 + 7933TIP3 H130108 -0.600 3.396 -2.328 + 7933TIP3 H230109 -0.549 3.529 -2.276 + 7934TIP3 OH230110 -2.404 3.443 -1.967 + 7934TIP3 H130111 -2.499 3.454 -1.985 + 7934TIP3 H230112 -2.362 3.508 -2.028 + 7935TIP3 OH230113 -2.400 3.336 -1.149 + 7935TIP3 H130114 -2.472 3.312 -1.089 + 7935TIP3 H230115 -2.448 3.390 -1.214 + 7936TIP3 OH230116 -0.752 3.281 -0.970 + 7936TIP3 H130117 -0.833 3.303 -1.020 + 7936TIP3 H230118 -0.733 3.191 -1.003 + 7937TIP3 OH230119 -1.408 3.424 -1.505 + 7937TIP3 H130120 -1.482 3.361 -1.501 + 7937TIP3 H230121 -1.374 3.407 -1.594 + 7938TIP3 OH230122 -0.914 3.230 -1.477 + 7938TIP3 H130123 -0.842 3.279 -1.521 + 7938TIP3 H230124 -0.992 3.256 -1.530 + 7939TIP3 OH230125 -0.703 3.341 -1.683 + 7939TIP3 H130126 -0.636 3.304 -1.743 + 7939TIP3 H230127 -0.679 3.435 -1.679 + 7940TIP3 OH230128 -2.181 3.299 -1.760 + 7940TIP3 H130129 -2.262 3.287 -1.812 + 7940TIP3 H230130 -2.130 3.220 -1.784 + 7941TIP3 OH230131 -2.294 3.251 -2.181 + 7941TIP3 H130132 -2.240 3.316 -2.229 + 7941TIP3 H230133 -2.334 3.306 -2.111 + 7942TIP3 OH230134 -1.750 3.280 -1.753 + 7942TIP3 H130135 -1.689 3.310 -1.824 + 7942TIP3 H230136 -1.694 3.272 -1.676 + 7943TIP3 OH230137 -1.146 3.279 -1.630 + 7943TIP3 H130138 -1.159 3.293 -1.724 + 7943TIP3 H230139 -1.211 3.209 -1.612 + 7944TIP3 OH230140 -1.051 3.286 -2.041 + 7944TIP3 H130141 -1.129 3.347 -2.047 + 7944TIP3 H230142 -1.096 3.201 -2.030 + 7945TIP3 OH230143 -2.118 3.431 -2.331 + 7945TIP3 H130144 -2.057 3.379 -2.386 + 7945TIP3 H230145 -2.056 3.467 -2.264 + 7946TIP3 OH230146 -2.197 3.322 -0.817 + 7946TIP3 H130147 -2.235 3.242 -0.779 + 7946TIP3 H230148 -2.104 3.314 -0.789 + 7947TIP3 OH230149 -1.959 3.264 -0.641 + 7947TIP3 H130150 -1.876 3.231 -0.682 + 7947TIP3 H230151 -1.991 3.183 -0.599 + 7948TIP3 OH230152 -1.144 3.170 -0.627 + 7948TIP3 H130153 -1.143 3.135 -0.537 + 7948TIP3 H230154 -1.049 3.173 -0.650 + 7949TIP3 OH230155 0.611 4.200 -1.765 + 7949TIP3 H130156 0.584 4.291 -1.748 + 7949TIP3 H230157 0.537 4.169 -1.819 + 7950TIP3 OH230158 0.500 4.130 -1.434 + 7950TIP3 H130159 0.497 4.083 -1.348 + 7950TIP3 H230160 0.463 4.065 -1.495 + 7951TIP3 OH230161 -0.260 4.081 -1.273 + 7951TIP3 H130162 -0.264 4.008 -1.209 + 7951TIP3 H230163 -0.191 4.135 -1.234 + 7952TIP3 OH230164 -0.491 3.886 -1.880 + 7952TIP3 H130165 -0.536 3.972 -1.871 + 7952TIP3 H230166 -0.561 3.832 -1.916 + 7953TIP3 OH230167 -0.397 4.137 -1.691 + 7953TIP3 H130168 -0.399 4.056 -1.636 + 7953TIP3 H230169 -0.318 4.119 -1.744 + 7954TIP3 OH230170 1.212 3.523 -1.316 + 7954TIP3 H130171 1.234 3.582 -1.242 + 7954TIP3 H230172 1.276 3.554 -1.383 + 7955TIP3 OH230173 0.680 3.805 -1.330 + 7955TIP3 H130174 0.692 3.709 -1.322 + 7955TIP3 H230175 0.662 3.814 -1.425 + 7956TIP3 OH230176 -0.026 3.605 -1.620 + 7956TIP3 H130177 -0.015 3.691 -1.665 + 7956TIP3 H230178 -0.062 3.553 -1.694 + 7957TIP3 OH230179 -0.361 3.879 -1.568 + 7957TIP3 H130180 -0.298 3.832 -1.511 + 7957TIP3 H230181 -0.352 3.829 -1.652 + 7958TIP3 OH230182 0.185 4.017 -1.622 + 7958TIP3 H130183 0.250 3.957 -1.581 + 7958TIP3 H230184 0.127 3.955 -1.668 + 7959TIP3 OH230185 1.284 3.659 -1.066 + 7959TIP3 H130186 1.225 3.732 -1.094 + 7959TIP3 H230187 1.264 3.657 -0.971 + 7960TIP3 OH230188 -0.149 3.483 -1.204 + 7960TIP3 H130189 -0.187 3.538 -1.274 + 7960TIP3 H230190 -0.214 3.498 -1.132 + 7961TIP3 OH230191 0.124 4.266 -1.228 + 7961TIP3 H130192 0.043 4.319 -1.217 + 7961TIP3 H230193 0.189 4.338 -1.229 + 7962TIP3 OH230194 0.925 3.570 -1.615 + 7962TIP3 H130195 0.888 3.497 -1.564 + 7962TIP3 H230196 0.975 3.616 -1.546 + 7963TIP3 OH230197 -0.187 3.687 -1.408 + 7963TIP3 H130198 -0.125 3.746 -1.361 + 7963TIP3 H230199 -0.129 3.654 -1.480 + 7964TIP3 OH230200 0.953 3.462 -1.200 + 7964TIP3 H130201 0.876 3.501 -1.245 + 7964TIP3 H230202 1.025 3.480 -1.264 + 7965TIP3 OH230203 0.248 3.214 -1.508 + 7965TIP3 H130204 0.252 3.124 -1.473 + 7965TIP3 H230205 0.174 3.255 -1.458 + 7966TIP3 OH230206 0.480 4.134 -2.024 + 7966TIP3 H130207 0.414 4.197 -2.059 + 7966TIP3 H230208 0.542 4.131 -2.098 + 7967TIP3 OH230209 0.506 3.942 -2.299 + 7967TIP3 H130210 0.585 3.969 -2.248 + 7967TIP3 H230211 0.548 3.899 -2.375 + 7968TIP3 OH230212 1.216 4.054 -1.197 + 7968TIP3 H130213 1.151 4.126 -1.182 + 7968TIP3 H230214 1.268 4.095 -1.269 + 7969TIP3 OH230215 0.828 4.137 -1.924 + 7969TIP3 H130216 0.764 4.168 -1.856 + 7969TIP3 H230217 0.895 4.094 -1.870 + 7970TIP3 OH230218 0.808 3.980 -1.026 + 7970TIP3 H130219 0.812 4.056 -0.965 + 7970TIP3 H230220 0.754 4.021 -1.097 + 7971TIP3 OH230221 -0.020 4.199 -1.723 + 7971TIP3 H130222 -0.034 4.178 -1.817 + 7971TIP3 H230223 0.066 4.157 -1.707 + 7972TIP3 OH230224 0.044 4.066 -1.386 + 7972TIP3 H130225 0.100 4.077 -1.465 + 7972TIP3 H230226 0.072 4.141 -1.330 + 7973TIP3 OH230227 0.738 4.013 -2.148 + 7973TIP3 H130228 0.780 4.063 -2.074 + 7973TIP3 H230229 0.778 4.063 -2.223 + 7974TIP3 OH230230 -0.174 4.147 -0.999 + 7974TIP3 H130231 -0.161 4.210 -0.925 + 7974TIP3 H230232 -0.271 4.141 -1.001 + 7975TIP3 OH230233 1.067 3.247 -2.210 + 7975TIP3 H130234 0.980 3.259 -2.168 + 7975TIP3 H230235 1.103 3.338 -2.214 + 7976TIP3 OH230236 -0.124 4.088 -1.976 + 7976TIP3 H130237 -0.141 4.167 -2.031 + 7976TIP3 H230238 -0.188 4.024 -2.009 + 7977TIP3 OH230239 -0.517 4.310 -1.097 + 7977TIP3 H130240 -0.529 4.290 -1.191 + 7977TIP3 H230241 -0.494 4.222 -1.060 + 7978TIP3 OH230242 1.007 3.837 -0.792 + 7978TIP3 H130243 0.957 3.876 -0.865 + 7978TIP3 H230244 1.013 3.744 -0.820 + 7979TIP3 OH230245 0.023 3.346 -1.400 + 7979TIP3 H130246 -0.057 3.346 -1.455 + 7979TIP3 H230247 0.006 3.424 -1.345 + 7980TIP3 OH230248 0.461 3.303 -1.041 + 7980TIP3 H130249 0.514 3.255 -0.975 + 7980TIP3 H230250 0.371 3.272 -1.025 + 7981TIP3 OH230251 0.775 3.685 -0.989 + 7981TIP3 H130252 0.717 3.670 -0.913 + 7981TIP3 H230253 0.769 3.782 -1.003 + 7982TIP3 OH230254 0.850 4.162 -2.347 + 7982TIP3 H130255 0.840 4.157 -2.444 + 7982TIP3 H230256 0.934 4.211 -2.340 + 7983TIP3 OH230257 0.467 3.549 -2.311 + 7983TIP3 H130258 0.405 3.551 -2.237 + 7983TIP3 H230259 0.417 3.493 -2.373 + 7984TIP3 OH230260 0.010 3.823 -1.259 + 7984TIP3 H130261 -0.050 3.838 -1.184 + 7984TIP3 H230262 0.019 3.914 -1.297 + 7985TIP3 OH230263 0.004 3.833 -1.775 + 7985TIP3 H130264 -0.092 3.828 -1.790 + 7985TIP3 H230265 0.037 3.817 -1.865 + 7986TIP3 OH230266 0.605 3.877 -1.926 + 7986TIP3 H130267 0.544 3.953 -1.926 + 7986TIP3 H230268 0.651 3.898 -2.009 + 7987TIP3 OH230269 0.484 3.920 -0.755 + 7987TIP3 H130270 0.434 3.843 -0.721 + 7987TIP3 H230271 0.573 3.905 -0.716 + 7988TIP3 OH230272 0.656 3.808 -1.632 + 7988TIP3 H130273 0.631 3.867 -1.705 + 7988TIP3 H230274 0.662 3.723 -1.676 + 7989TIP3 OH230275 -0.250 3.839 -1.084 + 7989TIP3 H130276 -0.233 3.881 -0.998 + 7989TIP3 H230277 -0.288 3.754 -1.057 + 7990TIP3 OH230278 0.088 3.600 -2.420 + 7990TIP3 H130279 0.047 3.565 -2.339 + 7990TIP3 H230280 0.010 3.620 -2.474 + 7991TIP3 OH230281 -0.571 3.596 -1.716 + 7991TIP3 H130282 -0.511 3.588 -1.639 + 7991TIP3 H230283 -0.523 3.552 -1.788 + 7992TIP3 OH230284 -0.410 3.635 -2.143 + 7992TIP3 H130285 -0.359 3.683 -2.210 + 7992TIP3 H230286 -0.482 3.698 -2.126 + 7993TIP3 OH230287 0.543 3.996 -1.178 + 7993TIP3 H130288 0.602 3.932 -1.224 + 7993TIP3 H230289 0.521 3.947 -1.097 + 7994TIP3 OH230290 0.283 3.594 -1.669 + 7994TIP3 H130291 0.187 3.593 -1.652 + 7994TIP3 H230292 0.318 3.574 -1.581 + 7995TIP3 OH230293 -0.263 3.717 -1.804 + 7995TIP3 H130294 -0.345 3.745 -1.850 + 7995TIP3 H230295 -0.236 3.638 -1.853 + 7996TIP3 OH230296 0.100 3.747 -2.039 + 7996TIP3 H130297 0.196 3.761 -2.032 + 7996TIP3 H230298 0.073 3.809 -2.110 + 7997TIP3 OH230299 0.715 3.508 -1.371 + 7997TIP3 H130300 0.656 3.509 -1.293 + 7997TIP3 H230301 0.655 3.471 -1.437 + 7998TIP3 OH230302 -0.053 3.875 -2.257 + 7998TIP3 H130303 -0.111 3.847 -2.330 + 7998TIP3 H230304 0.028 3.897 -2.307 + 7999TIP3 OH230305 -0.160 4.316 -0.793 + 7999TIP3 H130306 -0.105 4.365 -0.729 + 7999TIP3 H230307 -0.242 4.304 -0.739 + 8000TIP3 OH230308 0.392 3.847 -1.493 + 8000TIP3 H130309 0.461 3.794 -1.534 + 8000TIP3 H230310 0.371 3.794 -1.413 + 8001TIP3 OH230311 -0.096 3.483 -1.867 + 8001TIP3 H130312 -0.145 3.400 -1.854 + 8001TIP3 H230313 -0.017 3.452 -1.914 + 8002TIP3 OH230314 0.282 3.699 -1.270 + 8002TIP3 H130315 0.202 3.755 -1.264 + 8002TIP3 H230316 0.331 3.722 -1.189 + 8003TIP3 OH230317 0.290 4.334 -2.067 + 8003TIP3 H130318 0.216 4.291 -2.114 + 8003TIP3 H230319 0.267 4.325 -1.974 + 8004TIP3 OH230320 1.041 4.265 -1.207 + 8004TIP3 H130321 1.067 4.312 -1.288 + 8004TIP3 H230322 0.946 4.256 -1.225 + 8005TIP3 OH230323 0.711 3.656 -2.215 + 8005TIP3 H130324 0.629 3.637 -2.266 + 8005TIP3 H230325 0.730 3.747 -2.244 + 8006TIP3 OH230326 -0.164 4.251 -1.502 + 8006TIP3 H130327 -0.106 4.239 -1.581 + 8006TIP3 H230328 -0.157 4.163 -1.461 + 8007TIP3 OH230329 -0.461 4.077 -0.971 + 8007TIP3 H130330 -0.452 4.043 -0.880 + 8007TIP3 H230331 -0.538 4.030 -1.006 + 8008TIP3 OH230332 0.229 4.048 -0.765 + 8008TIP3 H130333 0.195 4.027 -0.854 + 8008TIP3 H230334 0.324 4.028 -0.776 + 8009TIP3 OH230335 1.233 3.793 -2.111 + 8009TIP3 H130336 1.176 3.771 -2.187 + 8009TIP3 H230337 1.240 3.889 -2.126 + 8010TIP3 OH230338 0.782 4.173 -1.339 + 8010TIP3 H130339 0.692 4.180 -1.374 + 8010TIP3 H230340 0.832 4.140 -1.415 + 8011TIP3 OH230341 -0.363 4.094 -2.313 + 8011TIP3 H130342 -0.305 4.155 -2.266 + 8011TIP3 H230343 -0.449 4.110 -2.269 + 8012TIP3 OH230344 -0.336 3.563 -1.005 + 8012TIP3 H130345 -0.427 3.590 -1.029 + 8012TIP3 H230346 -0.351 3.477 -0.961 + 8013TIP3 OH230347 -0.185 -4.387 -2.128 + 8013TIP3 H130348 -0.276 -4.353 -2.115 + 8013TIP3 H230349 -0.140 -4.305 -2.154 + 8014TIP3 OH230350 0.561 3.547 -1.151 + 8014TIP3 H130351 0.621 3.579 -1.081 + 8014TIP3 H230352 0.513 3.475 -1.107 + 8015TIP3 OH230353 0.628 3.525 -1.985 + 8015TIP3 H130354 0.643 3.564 -2.074 + 8015TIP3 H230355 0.716 3.519 -1.949 + 8016TIP3 OH230356 0.363 3.698 -1.929 + 8016TIP3 H130357 0.447 3.746 -1.921 + 8016TIP3 H230358 0.337 3.682 -1.837 + 8017TIP3 OH230359 0.406 3.789 -1.012 + 8017TIP3 H130360 0.408 3.841 -0.929 + 8017TIP3 H230361 0.456 3.710 -0.986 + 8018TIP3 OH230362 0.424 3.393 -1.834 + 8018TIP3 H130363 0.395 3.460 -1.770 + 8018TIP3 H230364 0.495 3.441 -1.881 + 8019TIP3 OH230365 -0.003 3.493 -2.180 + 8019TIP3 H130366 0.000 3.572 -2.124 + 8019TIP3 H230367 0.080 3.448 -2.155 + 8020TIP3 OH230368 1.030 3.585 -0.925 + 8020TIP3 H130369 0.934 3.596 -0.940 + 8020TIP3 H230370 1.056 3.562 -1.015 + 8021TIP3 OH230371 0.891 3.963 -1.551 + 8021TIP3 H130372 0.803 3.921 -1.553 + 8021TIP3 H230373 0.937 3.907 -1.486 + 8022TIP3 OH230374 -0.350 3.800 -2.361 + 8022TIP3 H130375 -0.336 3.895 -2.344 + 8022TIP3 H230376 -0.433 3.800 -2.409 + 8023TIP3 OH230377 -0.254 3.299 -1.490 + 8023TIP3 H130378 -0.271 3.296 -1.586 + 8023TIP3 H230379 -0.292 3.215 -1.459 + 8024TIP3 OH230380 -0.404 4.307 -0.680 + 8024TIP3 H130381 -0.430 4.213 -0.675 + 8024TIP3 H230382 -0.485 4.353 -0.703 + 8025TIP3 OH230383 0.183 4.329 -0.726 + 8025TIP3 H130384 0.185 4.346 -0.823 + 8025TIP3 H230385 0.220 4.239 -0.721 + 8026TIP3 OH230386 0.787 -4.377 -0.953 + 8026TIP3 H130387 0.866 -4.330 -0.985 + 8026TIP3 H230388 0.718 -4.312 -0.972 + 8027TIP3 OH230389 -0.349 4.023 -0.708 + 8027TIP3 H130390 -0.271 3.966 -0.714 + 8027TIP3 H230391 -0.347 4.046 -0.613 + 8028TIP3 OH230392 0.108 4.160 -2.190 + 8028TIP3 H130393 0.039 4.114 -2.140 + 8028TIP3 H230394 0.126 4.099 -2.263 + 8029TIP3 OH230395 0.025 3.932 -0.968 + 8029TIP3 H130396 -0.033 4.008 -0.950 + 8029TIP3 H230397 0.088 3.971 -1.032 + 8030TIP3 OH230398 0.192 3.956 -2.374 + 8030TIP3 H130399 0.190 3.971 -2.470 + 8030TIP3 H230400 0.288 3.962 -2.356 + 8031TIP3 OH230401 0.552 4.215 -0.617 + 8031TIP3 H130402 0.641 4.196 -0.648 + 8031TIP3 H230403 0.520 4.130 -0.587 + 8032TIP3 OH230404 1.113 4.188 -2.451 + 8032TIP3 H130405 1.115 4.183 -2.547 + 8032TIP3 H230406 1.120 4.284 -2.432 + 8033TIP3 OH230407 0.081 3.664 -0.856 + 8033TIP3 H130408 0.088 3.598 -0.928 + 8033TIP3 H230409 0.060 3.745 -0.905 + 8034TIP3 OH230410 0.115 3.509 -1.115 + 8034TIP3 H130411 0.165 3.566 -1.176 + 8034TIP3 H230412 0.023 3.517 -1.147 + 8035TIP3 OH230413 0.264 4.065 -1.081 + 8035TIP3 H130414 0.349 4.056 -1.127 + 8035TIP3 H230415 0.230 4.148 -1.119 + 8036TIP3 OH230416 0.728 3.849 -0.593 + 8036TIP3 H130417 0.750 3.755 -0.580 + 8036TIP3 H230418 0.817 3.888 -0.598 + 8037TIP3 OH230419 0.824 4.136 -0.759 + 8037TIP3 H130420 0.800 4.208 -0.821 + 8037TIP3 H230421 0.915 4.119 -0.787 + 8038TIP3 OH230422 -0.104 3.851 -0.677 + 8038TIP3 H130423 -0.154 3.767 -0.678 + 8038TIP3 H230424 -0.021 3.825 -0.720 + 8039TIP3 OH230425 0.186 3.244 -1.077 + 8039TIP3 H130426 0.170 3.339 -1.093 + 8039TIP3 H230427 0.115 3.203 -1.128 + 8040TIP3 OH230428 0.314 3.700 -0.698 + 8040TIP3 H130429 0.280 3.681 -0.609 + 8040TIP3 H230430 0.234 3.681 -0.751 + 8041TIP3 OH230431 0.565 3.605 -0.812 + 8041TIP3 H130432 0.478 3.612 -0.768 + 8041TIP3 H230433 0.612 3.543 -0.752 + 8042TIP3 OH230434 0.751 3.454 -0.638 + 8042TIP3 H130435 0.736 3.359 -0.623 + 8042TIP3 H230436 0.733 3.494 -0.551 + 8043TIP3 OH230437 -0.232 3.594 -0.693 + 8043TIP3 H130438 -0.240 3.524 -0.759 + 8043TIP3 H230439 -0.254 3.546 -0.611 + 8044TIP3 OH230440 0.170 3.191 -0.794 + 8044TIP3 H130441 0.230 3.115 -0.788 + 8044TIP3 H230442 0.170 3.207 -0.890 + 8045TIP3 OH230443 0.265 3.379 -0.609 + 8045TIP3 H130444 0.233 3.319 -0.680 + 8045TIP3 H230445 0.196 3.447 -0.606 + 8046TIP3 OH230446 1.204 4.360 -2.004 + 8046TIP3 H130447 1.298 4.360 -2.028 + 8046TIP3 H230448 1.188 4.273 -1.965 + 8047TIP3 OH230449 1.232 4.124 -1.843 + 8047TIP3 H130450 1.166 4.076 -1.791 + 8047TIP3 H230451 1.296 4.152 -1.775 + 8048TIP3 OH230452 1.257 4.094 -2.193 + 8048TIP3 H130453 1.193 4.113 -2.264 + 8048TIP3 H230454 1.246 4.172 -2.137 + 8049TIP3 OH230455 1.088 3.842 -2.362 + 8049TIP3 H130456 1.105 3.907 -2.431 + 8049TIP3 H230457 1.063 3.763 -2.414 + 8050TIP3 OH230458 0.995 3.879 -1.790 + 8050TIP3 H130459 1.048 3.825 -1.730 + 8050TIP3 H230460 0.966 3.948 -1.727 + 8051TIP3 OH230461 -0.500 4.186 -1.375 + 8051TIP3 H130462 -0.490 4.203 -1.470 + 8051TIP3 H230463 -0.409 4.162 -1.349 + 8052TIP3 OH230464 1.100 4.160 -0.852 + 8052TIP3 H130465 1.173 4.101 -0.823 + 8052TIP3 H230466 1.143 4.244 -0.876 + 8053TIP3 OH230467 1.242 3.965 -0.734 + 8053TIP3 H130468 1.161 3.912 -0.751 + 8053TIP3 H230469 1.311 3.896 -0.730 + 8054TIP3 OH230470 1.028 3.578 -2.442 + 8054TIP3 H130471 1.087 3.526 -2.386 + 8054TIP3 H230472 0.949 3.522 -2.453 + 8055TIP3 OH230473 1.035 3.766 -1.411 + 8055TIP3 H130474 1.133 3.777 -1.405 + 8055TIP3 H230475 1.014 3.768 -1.316 + 8056TIP3 OH230476 1.051 3.837 -1.123 + 8056TIP3 H130477 0.965 3.875 -1.097 + 8056TIP3 H230478 1.102 3.917 -1.146 + 8057TIP3 OH230479 -0.501 3.716 -0.754 + 8057TIP3 H130480 -0.407 3.690 -0.750 + 8057TIP3 H230481 -0.545 3.630 -0.746 + 8058TIP3 OH230482 1.307 3.253 -0.592 + 8058TIP3 H130483 1.349 3.183 -0.646 + 8058TIP3 H230484 1.310 3.330 -0.652 + 8059TIP3 OH230485 1.017 3.493 -1.931 + 8059TIP3 H130486 1.065 3.450 -1.857 + 8059TIP3 H230487 0.981 3.415 -1.977 + 8060TIP3 OH230488 -0.421 3.547 -1.477 + 8060TIP3 H130489 -0.376 3.462 -1.464 + 8060TIP3 H230490 -0.356 3.609 -1.439 + 8061TIP3 OH230491 -0.566 3.813 -1.366 + 8061TIP3 H130492 -0.511 3.814 -1.446 + 8061TIP3 H230493 -0.537 3.894 -1.321 + 8062TIP3 OH230494 1.246 3.458 -0.768 + 8062TIP3 H130495 1.158 3.500 -0.762 + 8062TIP3 H230496 1.233 3.402 -0.847 + 8063TIP3 OH230497 1.253 3.473 -2.282 + 8063TIP3 H130498 1.286 3.395 -2.329 + 8063TIP3 H230499 1.333 3.527 -2.274 + 8064TIP3 OH230500 -0.518 3.451 -1.961 + 8064TIP3 H130501 -0.613 3.452 -1.982 + 8064TIP3 H230502 -0.479 3.509 -2.028 + 8065TIP3 OH230503 -0.517 3.331 -1.155 + 8065TIP3 H130504 -0.585 3.312 -1.088 + 8065TIP3 H230505 -0.565 3.391 -1.214 + 8066TIP3 OH230506 1.133 3.280 -0.970 + 8066TIP3 H130507 1.051 3.299 -1.020 + 8066TIP3 H230508 1.154 3.190 -1.002 + 8067TIP3 OH230509 0.470 3.420 -1.521 + 8067TIP3 H130510 0.398 3.355 -1.515 + 8067TIP3 H230511 0.531 3.376 -1.582 + 8068TIP3 OH230512 0.970 3.239 -1.477 + 8068TIP3 H130513 1.046 3.281 -1.520 + 8068TIP3 H230514 0.896 3.263 -1.534 + 8069TIP3 OH230515 1.167 3.353 -1.706 + 8069TIP3 H130516 1.240 3.300 -1.743 + 8069TIP3 H230517 1.213 3.437 -1.686 + 8070TIP3 OH230518 -0.271 3.261 -1.774 + 8070TIP3 H130519 -0.359 3.260 -1.817 + 8070TIP3 H230520 -0.246 3.169 -1.781 + 8071TIP3 OH230521 -0.405 3.248 -2.178 + 8071TIP3 H130522 -0.358 3.315 -2.231 + 8071TIP3 H230523 -0.452 3.304 -2.113 + 8072TIP3 OH230524 0.151 3.280 -1.783 + 8072TIP3 H130525 0.244 3.299 -1.801 + 8072TIP3 H230526 0.155 3.253 -1.691 + 8073TIP3 OH230527 0.712 3.289 -1.646 + 8073TIP3 H130528 0.746 3.262 -1.732 + 8073TIP3 H230529 0.678 3.204 -1.612 + 8074TIP3 OH230530 0.827 3.295 -2.040 + 8074TIP3 H130531 0.741 3.326 -2.072 + 8074TIP3 H230532 0.805 3.202 -2.019 + 8075TIP3 OH230533 -0.239 3.430 -2.335 + 8075TIP3 H130534 -0.176 3.378 -2.388 + 8075TIP3 H230535 -0.180 3.465 -2.265 + 8076TIP3 OH230536 0.276 3.450 -2.078 + 8076TIP3 H130537 0.304 3.394 -2.004 + 8076TIP3 H230538 0.288 3.538 -2.040 + 8077TIP3 OH230539 -0.310 3.323 -0.818 + 8077TIP3 H130540 -0.351 3.243 -0.780 + 8077TIP3 H230541 -0.219 3.312 -0.785 + 8078TIP3 OH230542 -0.074 3.263 -0.643 + 8078TIP3 H130543 0.009 3.227 -0.681 + 8078TIP3 H230544 -0.108 3.185 -0.597 + 8079TIP3 OH230545 0.740 3.174 -0.625 + 8079TIP3 H130546 0.743 3.132 -0.536 + 8079TIP3 H230547 0.834 3.171 -0.650 + 8080TIP3 OH230548 2.501 4.207 -1.765 + 8080TIP3 H130549 2.464 4.295 -1.759 + 8080TIP3 H230550 2.426 4.159 -1.803 + 8081TIP3 OH230551 2.382 4.130 -1.433 + 8081TIP3 H130552 2.382 4.081 -1.350 + 8081TIP3 H230553 2.352 4.064 -1.496 + 8082TIP3 OH230554 1.625 4.082 -1.270 + 8082TIP3 H130555 1.620 4.006 -1.209 + 8082TIP3 H230556 1.696 4.134 -1.230 + 8083TIP3 OH230557 1.389 3.879 -1.878 + 8083TIP3 H130558 1.354 3.970 -1.874 + 8083TIP3 H230559 1.321 3.834 -1.929 + 8084TIP3 OH230560 1.479 4.132 -1.700 + 8084TIP3 H130561 1.483 4.057 -1.637 + 8084TIP3 H230562 1.566 4.125 -1.740 + 8085TIP3 OH230563 3.094 3.528 -1.318 + 8085TIP3 H130564 3.121 3.580 -1.240 + 8085TIP3 H230565 3.161 3.555 -1.383 + 8086TIP3 OH230566 2.562 3.806 -1.327 + 8086TIP3 H130567 2.576 3.710 -1.320 + 8086TIP3 H230568 2.552 3.816 -1.423 + 8087TIP3 OH230569 1.858 3.606 -1.618 + 8087TIP3 H130570 1.872 3.691 -1.664 + 8087TIP3 H230571 1.823 3.553 -1.693 + 8088TIP3 OH230572 2.643 3.621 -1.789 + 8088TIP3 H130573 2.699 3.579 -1.720 + 8088TIP3 H230574 2.709 3.672 -1.838 + 8089TIP3 OH230575 1.523 3.875 -1.567 + 8089TIP3 H130576 1.589 3.832 -1.510 + 8089TIP3 H230577 1.537 3.828 -1.651 + 8090TIP3 OH230578 2.068 4.018 -1.620 + 8090TIP3 H130579 2.135 3.959 -1.580 + 8090TIP3 H230580 2.013 3.954 -1.668 + 8091TIP3 OH230581 3.169 3.661 -1.066 + 8091TIP3 H130582 3.106 3.731 -1.091 + 8091TIP3 H230583 3.158 3.659 -0.970 + 8092TIP3 OH230584 1.737 3.484 -1.204 + 8092TIP3 H130585 1.697 3.536 -1.275 + 8092TIP3 H230586 1.672 3.498 -1.132 + 8093TIP3 OH230587 2.010 4.266 -1.227 + 8093TIP3 H130588 1.929 4.318 -1.215 + 8093TIP3 H230589 2.075 4.338 -1.229 + 8094TIP3 OH230590 2.826 3.547 -1.584 + 8094TIP3 H130591 2.788 3.486 -1.520 + 8094TIP3 H230592 2.876 3.607 -1.526 + 8095TIP3 OH230593 1.697 3.690 -1.410 + 8095TIP3 H130594 1.761 3.746 -1.361 + 8095TIP3 H230595 1.756 3.653 -1.479 + 8096TIP3 OH230596 2.839 3.463 -1.200 + 8096TIP3 H130597 2.762 3.501 -1.245 + 8096TIP3 H230598 2.911 3.481 -1.262 + 8097TIP3 OH230599 2.151 3.234 -1.496 + 8097TIP3 H130600 2.130 3.139 -1.499 + 8097TIP3 H230601 2.069 3.271 -1.457 + 8098TIP3 OH230602 2.348 4.144 -2.021 + 8098TIP3 H130603 2.283 4.180 -2.083 + 8098TIP3 H230604 2.425 4.134 -2.079 + 8099TIP3 OH230605 2.389 3.942 -2.301 + 8099TIP3 H130606 2.464 3.979 -2.249 + 8099TIP3 H230607 2.437 3.892 -2.368 + 8100TIP3 OH230608 3.104 4.057 -1.198 + 8100TIP3 H130609 3.036 4.127 -1.184 + 8100TIP3 H230610 3.152 4.096 -1.273 + 8101TIP3 OH230611 2.724 4.140 -1.917 + 8101TIP3 H130612 2.655 4.162 -1.851 + 8101TIP3 H230613 2.786 4.087 -1.865 + 8102TIP3 OH230614 2.694 3.981 -1.027 + 8102TIP3 H130615 2.696 4.056 -0.966 + 8102TIP3 H230616 2.637 4.018 -1.096 + 8103TIP3 OH230617 1.876 4.208 -1.725 + 8103TIP3 H130618 1.855 4.181 -1.816 + 8103TIP3 H230619 1.954 4.153 -1.705 + 8104TIP3 OH230620 1.922 4.073 -1.389 + 8104TIP3 H130621 1.984 4.075 -1.464 + 8104TIP3 H230622 1.958 4.143 -1.331 + 8105TIP3 OH230623 2.604 4.073 -2.155 + 8105TIP3 H130624 2.660 4.101 -2.079 + 8105TIP3 H230625 2.649 4.122 -2.229 + 8106TIP3 OH230626 1.712 4.148 -1.000 + 8106TIP3 H130627 1.724 4.211 -0.925 + 8106TIP3 H230628 1.615 4.139 -0.999 + 8107TIP3 OH230629 2.952 3.247 -2.212 + 8107TIP3 H130630 2.864 3.256 -2.171 + 8107TIP3 H230631 2.986 3.338 -2.206 + 8108TIP3 OH230632 1.761 4.089 -1.974 + 8108TIP3 H130633 1.745 4.167 -2.031 + 8108TIP3 H230634 1.699 4.024 -2.011 + 8109TIP3 OH230635 1.356 4.308 -1.096 + 8109TIP3 H130636 1.359 4.292 -1.191 + 8109TIP3 H230637 1.391 4.224 -1.060 + 8110TIP3 OH230638 2.891 3.837 -0.793 + 8110TIP3 H130639 2.843 3.874 -0.868 + 8110TIP3 H230640 2.899 3.743 -0.819 + 8111TIP3 OH230641 1.910 3.349 -1.403 + 8111TIP3 H130642 1.827 3.342 -1.454 + 8111TIP3 H230643 1.887 3.421 -1.343 + 8112TIP3 OH230644 2.346 3.306 -1.039 + 8112TIP3 H130645 2.400 3.254 -0.976 + 8112TIP3 H230646 2.256 3.271 -1.026 + 8113TIP3 OH230647 2.660 3.685 -0.989 + 8113TIP3 H130648 2.602 3.670 -0.913 + 8113TIP3 H230649 2.655 3.782 -1.003 + 8114TIP3 OH230650 2.746 4.182 -2.358 + 8114TIP3 H130651 2.724 4.162 -2.451 + 8114TIP3 H230652 2.842 4.199 -2.368 + 8115TIP3 OH230653 2.328 3.557 -2.312 + 8115TIP3 H130654 2.277 3.544 -2.230 + 8115TIP3 H230655 2.286 3.490 -2.369 + 8116TIP3 OH230656 1.894 3.825 -1.261 + 8116TIP3 H130657 1.836 3.838 -1.184 + 8116TIP3 H230658 1.902 3.916 -1.297 + 8117TIP3 OH230659 1.890 3.835 -1.775 + 8117TIP3 H130660 1.794 3.827 -1.791 + 8117TIP3 H230661 1.924 3.815 -1.864 + 8118TIP3 OH230662 2.453 3.901 -1.893 + 8118TIP3 H130663 2.404 3.974 -1.934 + 8118TIP3 H230664 2.516 3.878 -1.963 + 8119TIP3 OH230665 2.369 3.921 -0.753 + 8119TIP3 H130666 2.320 3.843 -0.721 + 8119TIP3 H230667 2.458 3.905 -0.716 + 8120TIP3 OH230668 2.533 3.831 -1.620 + 8120TIP3 H130669 2.505 3.884 -1.697 + 8120TIP3 H230670 2.557 3.748 -1.666 + 8121TIP3 OH230671 1.634 3.840 -1.084 + 8121TIP3 H130672 1.655 3.879 -0.998 + 8121TIP3 H230673 1.598 3.753 -1.058 + 8122TIP3 OH230674 1.971 3.603 -2.422 + 8122TIP3 H130675 1.935 3.567 -2.339 + 8122TIP3 H230676 1.892 3.616 -2.475 + 8123TIP3 OH230677 1.311 3.589 -1.712 + 8123TIP3 H130678 1.373 3.591 -1.637 + 8123TIP3 H230679 1.366 3.555 -1.784 + 8124TIP3 OH230680 1.470 3.634 -2.139 + 8124TIP3 H130681 1.525 3.681 -2.206 + 8124TIP3 H230682 1.399 3.699 -2.125 + 8125TIP3 OH230683 2.432 3.997 -1.176 + 8125TIP3 H130684 2.486 3.930 -1.224 + 8125TIP3 H230685 2.405 3.945 -1.098 + 8126TIP3 OH230686 2.166 3.595 -1.671 + 8126TIP3 H130687 2.072 3.590 -1.648 + 8126TIP3 H230688 2.209 3.575 -1.586 + 8127TIP3 OH230689 1.620 3.716 -1.803 + 8127TIP3 H130690 1.542 3.744 -1.853 + 8127TIP3 H230691 1.653 3.638 -1.852 + 8128TIP3 OH230692 1.986 3.751 -2.036 + 8128TIP3 H130693 2.083 3.758 -2.031 + 8128TIP3 H230694 1.962 3.810 -2.109 + 8129TIP3 OH230695 2.604 3.509 -1.370 + 8129TIP3 H130696 2.542 3.509 -1.295 + 8129TIP3 H230697 2.546 3.474 -1.440 + 8130TIP3 OH230698 1.830 3.877 -2.258 + 8130TIP3 H130699 1.774 3.844 -2.330 + 8130TIP3 H230700 1.912 3.897 -2.306 + 8131TIP3 OH230701 1.726 4.316 -0.793 + 8131TIP3 H130702 1.780 4.365 -0.728 + 8131TIP3 H230703 1.644 4.304 -0.740 + 8132TIP3 OH230704 2.266 3.850 -1.489 + 8132TIP3 H130705 2.342 3.808 -1.533 + 8132TIP3 H230706 2.251 3.791 -1.413 + 8133TIP3 OH230707 1.797 3.490 -1.873 + 8133TIP3 H130708 1.743 3.411 -1.857 + 8133TIP3 H230709 1.878 3.453 -1.909 + 8134TIP3 OH230710 2.165 3.695 -1.266 + 8134TIP3 H130711 2.087 3.753 -1.262 + 8134TIP3 H230712 2.216 3.720 -1.186 + 8135TIP3 OH230713 2.136 4.366 -2.052 + 8135TIP3 H130714 2.095 4.300 -2.112 + 8135TIP3 H230715 2.185 4.313 -1.988 + 8136TIP3 OH230716 2.928 4.267 -1.208 + 8136TIP3 H130717 2.950 4.311 -1.292 + 8136TIP3 H230718 2.832 4.255 -1.223 + 8137TIP3 OH230719 2.595 3.618 -2.299 + 8137TIP3 H130720 2.497 3.613 -2.302 + 8137TIP3 H230721 2.612 3.689 -2.234 + 8138TIP3 OH230722 2.665 3.797 -2.090 + 8138TIP3 H130723 2.753 3.782 -2.050 + 8138TIP3 H230724 2.675 3.883 -2.133 + 8139TIP3 OH230725 1.706 4.236 -1.516 + 8139TIP3 H130726 1.777 4.235 -1.584 + 8139TIP3 H230727 1.733 4.162 -1.459 + 8140TIP3 OH230728 1.428 4.078 -0.971 + 8140TIP3 H130729 1.436 4.043 -0.880 + 8140TIP3 H230730 1.350 4.030 -1.006 + 8141TIP3 OH230731 2.115 4.050 -0.766 + 8141TIP3 H130732 2.082 4.027 -0.855 + 8141TIP3 H230733 2.209 4.027 -0.775 + 8142TIP3 OH230734 3.120 3.794 -2.120 + 8142TIP3 H130735 3.066 3.777 -2.200 + 8142TIP3 H230736 3.136 3.889 -2.130 + 8143TIP3 OH230737 2.670 4.180 -1.345 + 8143TIP3 H130738 2.577 4.177 -1.374 + 8143TIP3 H230739 2.716 4.130 -1.414 + 8144TIP3 OH230740 1.523 4.094 -2.313 + 8144TIP3 H130741 1.582 4.155 -2.267 + 8144TIP3 H230742 1.438 4.112 -2.269 + 8145TIP3 OH230743 1.550 3.565 -1.004 + 8145TIP3 H130744 1.459 3.589 -1.030 + 8145TIP3 H230745 1.536 3.478 -0.963 + 8146TIP3 OH230746 1.699 -4.387 -2.130 + 8146TIP3 H130747 1.609 -4.352 -2.114 + 8146TIP3 H230748 1.745 -4.305 -2.154 + 8147TIP3 OH230749 2.446 3.549 -1.150 + 8147TIP3 H130750 2.509 3.577 -1.081 + 8147TIP3 H230751 2.399 3.475 -1.107 + 8148TIP3 OH230752 2.510 3.492 -2.023 + 8148TIP3 H130753 2.529 3.545 -2.102 + 8148TIP3 H230754 2.557 3.542 -1.954 + 8149TIP3 OH230755 2.252 3.694 -1.929 + 8149TIP3 H130756 2.330 3.751 -1.912 + 8149TIP3 H230757 2.222 3.674 -1.838 + 8150TIP3 OH230758 2.293 3.792 -1.012 + 8150TIP3 H130759 2.297 3.840 -0.927 + 8150TIP3 H230760 2.340 3.710 -0.990 + 8151TIP3 OH230761 2.309 3.394 -1.836 + 8151TIP3 H130762 2.292 3.461 -1.768 + 8151TIP3 H230763 2.383 3.434 -1.885 + 8152TIP3 OH230764 1.883 3.495 -2.183 + 8152TIP3 H130765 1.886 3.570 -2.122 + 8152TIP3 H230766 1.964 3.446 -2.156 + 8153TIP3 OH230767 2.915 3.585 -0.923 + 8153TIP3 H130768 2.819 3.596 -0.941 + 8153TIP3 H230769 2.944 3.560 -1.012 + 8154TIP3 OH230770 2.777 3.967 -1.547 + 8154TIP3 H130771 2.691 3.925 -1.558 + 8154TIP3 H230772 2.823 3.903 -1.488 + 8155TIP3 OH230773 1.534 3.799 -2.359 + 8155TIP3 H130774 1.551 3.893 -2.344 + 8155TIP3 H230775 1.453 3.800 -2.410 + 8156TIP3 OH230776 1.630 3.304 -1.485 + 8156TIP3 H130777 1.612 3.301 -1.581 + 8156TIP3 H230778 1.598 3.217 -1.454 + 8157TIP3 OH230779 1.482 4.306 -0.683 + 8157TIP3 H130780 1.456 4.213 -0.674 + 8157TIP3 H230781 1.400 4.353 -0.700 + 8158TIP3 OH230782 2.070 4.329 -0.726 + 8158TIP3 H130783 2.071 4.345 -0.823 + 8158TIP3 H230784 2.105 4.238 -0.722 + 8159TIP3 OH230785 2.672 -4.376 -0.954 + 8159TIP3 H130786 2.751 -4.329 -0.984 + 8159TIP3 H230787 2.603 -4.310 -0.970 + 8160TIP3 OH230788 1.537 4.022 -0.708 + 8160TIP3 H130789 1.616 3.965 -0.714 + 8160TIP3 H230790 1.538 4.045 -0.613 + 8161TIP3 OH230791 1.998 4.160 -2.196 + 8161TIP3 H130792 1.929 4.119 -2.142 + 8161TIP3 H230793 2.010 4.094 -2.267 + 8162TIP3 OH230794 1.910 3.932 -0.969 + 8162TIP3 H130795 1.854 4.010 -0.950 + 8162TIP3 H230796 1.974 3.970 -1.032 + 8163TIP3 OH230797 2.078 3.957 -2.373 + 8163TIP3 H130798 2.075 3.971 -2.470 + 8163TIP3 H230799 2.174 3.957 -2.356 + 8164TIP3 OH230800 2.438 4.216 -0.614 + 8164TIP3 H130801 2.526 4.195 -0.648 + 8164TIP3 H230802 2.405 4.129 -0.587 + 8165TIP3 OH230803 3.000 4.191 -2.447 + 8165TIP3 H130804 2.999 4.174 -2.543 + 8165TIP3 H230805 3.025 4.286 -2.442 + 8166TIP3 OH230806 1.967 3.663 -0.856 + 8166TIP3 H130807 1.973 3.597 -0.928 + 8166TIP3 H230808 1.946 3.744 -0.905 + 8167TIP3 OH230809 2.000 3.510 -1.112 + 8167TIP3 H130810 2.052 3.562 -1.176 + 8167TIP3 H230811 1.909 3.514 -1.148 + 8168TIP3 OH230812 2.149 4.065 -1.081 + 8168TIP3 H130813 2.234 4.054 -1.126 + 8168TIP3 H230814 2.116 4.148 -1.120 + 8169TIP3 OH230815 2.615 3.849 -0.592 + 8169TIP3 H130816 2.635 3.755 -0.582 + 8169TIP3 H230817 2.704 3.887 -0.598 + 8170TIP3 OH230818 2.708 4.136 -0.758 + 8170TIP3 H130819 2.686 4.208 -0.822 + 8170TIP3 H230820 2.799 4.116 -0.785 + 8171TIP3 OH230821 1.781 3.851 -0.678 + 8171TIP3 H130822 1.732 3.767 -0.678 + 8171TIP3 H230823 1.864 3.824 -0.720 + 8172TIP3 OH230824 2.071 3.243 -1.075 + 8172TIP3 H130825 2.054 3.338 -1.092 + 8172TIP3 H230826 2.002 3.201 -1.129 + 8173TIP3 OH230827 2.199 3.701 -0.698 + 8173TIP3 H130828 2.164 3.681 -0.609 + 8173TIP3 H230829 2.119 3.681 -0.751 + 8174TIP3 OH230830 2.451 3.607 -0.810 + 8174TIP3 H130831 2.364 3.611 -0.768 + 8174TIP3 H230832 2.499 3.543 -0.753 + 8175TIP3 OH230833 2.634 3.455 -0.639 + 8175TIP3 H130834 2.623 3.359 -0.624 + 8175TIP3 H230835 2.619 3.494 -0.551 + 8176TIP3 OH230836 1.654 3.594 -0.692 + 8176TIP3 H130837 1.646 3.524 -0.759 + 8176TIP3 H230838 1.631 3.546 -0.610 + 8177TIP3 OH230839 2.056 3.191 -0.794 + 8177TIP3 H130840 2.116 3.115 -0.789 + 8177TIP3 H230841 2.053 3.207 -0.891 + 8178TIP3 OH230842 2.149 3.378 -0.607 + 8178TIP3 H130843 2.121 3.319 -0.680 + 8178TIP3 H230844 2.081 3.447 -0.608 + 8179TIP3 OH230845 3.138 4.131 -2.169 + 8179TIP3 H130846 3.085 4.100 -2.245 + 8179TIP3 H230847 3.106 4.224 -2.171 + 8180TIP3 OH230848 2.977 3.846 -2.362 + 8180TIP3 H130849 2.992 3.904 -2.438 + 8180TIP3 H230850 2.947 3.763 -2.404 + 8181TIP3 OH230851 2.948 3.987 -1.781 + 8181TIP3 H130852 2.931 3.893 -1.798 + 8181TIP3 H230853 2.905 3.999 -1.694 + 8182TIP3 OH230854 1.387 4.187 -1.375 + 8182TIP3 H130855 1.397 4.204 -1.470 + 8182TIP3 H230856 1.478 4.161 -1.349 + 8183TIP3 OH230857 2.987 4.160 -0.853 + 8183TIP3 H130858 3.058 4.099 -0.826 + 8183TIP3 H230859 3.032 4.244 -0.871 + 8184TIP3 OH230860 3.128 3.964 -0.734 + 8184TIP3 H130861 3.048 3.909 -0.752 + 8184TIP3 H230862 3.198 3.896 -0.732 + 8185TIP3 OH230863 2.914 3.582 -2.438 + 8185TIP3 H130864 2.974 3.529 -2.383 + 8185TIP3 H230865 2.836 3.526 -2.449 + 8186TIP3 OH230866 2.903 3.721 -1.939 + 8186TIP3 H130867 2.919 3.625 -1.929 + 8186TIP3 H230868 2.983 3.746 -1.989 + 8187TIP3 OH230869 2.920 3.772 -1.405 + 8187TIP3 H130870 3.018 3.778 -1.403 + 8187TIP3 H230871 2.902 3.771 -1.309 + 8188TIP3 OH230872 2.937 3.838 -1.121 + 8188TIP3 H130873 2.851 3.875 -1.096 + 8188TIP3 H230874 2.988 3.918 -1.144 + 8189TIP3 OH230875 1.385 3.716 -0.754 + 8189TIP3 H130876 1.479 3.690 -0.751 + 8189TIP3 H230877 1.341 3.629 -0.746 + 8190TIP3 OH230878 3.191 3.250 -0.593 + 8190TIP3 H130879 3.233 3.182 -0.649 + 8190TIP3 H230880 3.196 3.329 -0.650 + 8191TIP3 OH230881 2.942 3.435 -1.949 + 8191TIP3 H130882 2.957 3.398 -1.859 + 8191TIP3 H230883 2.864 3.383 -1.977 + 8192TIP3 OH230884 1.463 3.547 -1.474 + 8192TIP3 H130885 1.509 3.462 -1.465 + 8192TIP3 H230886 1.531 3.608 -1.440 + 8193TIP3 OH230887 1.316 3.815 -1.371 + 8193TIP3 H130888 1.380 3.815 -1.444 + 8193TIP3 H230889 1.347 3.891 -1.320 + 8194TIP3 OH230890 3.130 3.457 -0.766 + 8194TIP3 H130891 3.042 3.500 -0.765 + 8194TIP3 H230892 3.121 3.402 -0.846 + 8195TIP3 OH230893 3.142 3.477 -2.283 + 8195TIP3 H130894 3.171 3.395 -2.327 + 8195TIP3 H230895 3.225 3.526 -2.276 + 8196TIP3 OH230896 1.349 3.447 -1.973 + 8196TIP3 H130897 1.261 3.480 -1.993 + 8196TIP3 H230898 1.406 3.506 -2.027 + 8197TIP3 OH230899 1.372 3.338 -1.148 + 8197TIP3 H130900 1.301 3.309 -1.088 + 8197TIP3 H230901 1.321 3.388 -1.214 + 8198TIP3 OH230902 3.016 3.279 -0.968 + 8198TIP3 H130903 2.936 3.296 -1.022 + 8198TIP3 H230904 3.040 3.189 -1.000 + 8199TIP3 OH230905 2.359 3.431 -1.525 + 8199TIP3 H130906 2.291 3.362 -1.509 + 8199TIP3 H230907 2.422 3.382 -1.582 + 8200TIP3 OH230908 2.854 3.235 -1.476 + 8200TIP3 H130909 2.932 3.276 -1.516 + 8200TIP3 H230910 2.782 3.263 -1.535 + 8201TIP3 OH230911 3.060 3.345 -1.698 + 8201TIP3 H130912 3.135 3.299 -1.740 + 8201TIP3 H230913 3.096 3.433 -1.680 + 8202TIP3 OH230914 1.593 3.301 -1.770 + 8202TIP3 H130915 1.506 3.283 -1.811 + 8202TIP3 H230916 1.638 3.215 -1.782 + 8203TIP3 OH230917 1.476 3.250 -2.178 + 8203TIP3 H130918 1.528 3.316 -2.229 + 8203TIP3 H230919 1.432 3.306 -2.112 + 8204TIP3 OH230920 2.041 3.285 -1.780 + 8204TIP3 H130921 2.133 3.313 -1.794 + 8204TIP3 H230922 2.040 3.275 -1.684 + 8205TIP3 OH230923 2.599 3.289 -1.641 + 8205TIP3 H130924 2.629 3.269 -1.730 + 8205TIP3 H230925 2.563 3.203 -1.613 + 8206TIP3 OH230926 2.713 3.288 -2.041 + 8206TIP3 H130927 2.630 3.338 -2.054 + 8206TIP3 H230928 2.679 3.199 -2.025 + 8207TIP3 OH230929 1.647 3.432 -2.334 + 8207TIP3 H130930 1.707 3.377 -2.387 + 8207TIP3 H230931 1.708 3.465 -2.266 + 8208TIP3 OH230932 2.157 3.451 -2.075 + 8208TIP3 H130933 2.193 3.393 -2.005 + 8208TIP3 H230934 2.177 3.538 -2.036 + 8209TIP3 OH230935 1.574 3.324 -0.815 + 8209TIP3 H130936 1.535 3.243 -0.780 + 8209TIP3 H230937 1.667 3.312 -0.788 + 8210TIP3 OH230938 1.814 3.264 -0.641 + 8210TIP3 H130939 1.895 3.229 -0.682 + 8210TIP3 H230940 1.778 3.184 -0.599 + 8211TIP3 OH230941 2.626 3.175 -0.623 + 8211TIP3 H130942 2.631 3.133 -0.535 + 8211TIP3 H230943 2.719 3.171 -0.652 + 8212TIP3 OH230944 4.194 4.105 -1.412 + 8212TIP3 H130945 4.276 4.126 -1.364 + 8212TIP3 H230946 4.227 4.080 -1.499 + 8213TIP3 OH230947 3.509 4.085 -1.271 + 8213TIP3 H130948 3.504 4.007 -1.213 + 8213TIP3 H230949 3.581 4.133 -1.227 + 8214TIP3 OH230950 3.252 3.917 -1.895 + 8214TIP3 H130951 3.188 3.953 -1.832 + 8214TIP3 H230952 3.212 3.832 -1.916 + 8215TIP3 OH230953 3.339 4.152 -1.735 + 8215TIP3 H130954 3.320 4.082 -1.669 + 8215TIP3 H230955 3.435 4.143 -1.735 + 8216TIP3 OH230956 3.744 3.607 -1.619 + 8216TIP3 H130957 3.758 3.693 -1.664 + 8216TIP3 H230958 3.709 3.554 -1.693 + 8217TIP3 OH230959 3.406 3.882 -1.571 + 8217TIP3 H130960 3.472 3.843 -1.511 + 8217TIP3 H230961 3.425 3.832 -1.653 + 8218TIP3 OH230962 3.953 4.015 -1.619 + 8218TIP3 H130963 4.026 3.960 -1.584 + 8218TIP3 H230964 3.900 3.948 -1.665 + 8219TIP3 OH230965 3.628 3.485 -1.204 + 8219TIP3 H130966 3.585 3.536 -1.274 + 8219TIP3 H230967 3.561 3.493 -1.132 + 8220TIP3 OH230968 3.890 4.266 -1.222 + 8220TIP3 H130969 3.811 4.322 -1.217 + 8220TIP3 H230970 3.960 4.333 -1.220 + 8221TIP3 OH230971 3.582 3.693 -1.411 + 8221TIP3 H130972 3.648 3.747 -1.361 + 8221TIP3 H230973 3.641 3.654 -1.478 + 8222TIP3 OH230974 4.043 3.231 -1.490 + 8222TIP3 H130975 4.015 3.137 -1.489 + 8222TIP3 H230976 3.964 3.274 -1.452 + 8223TIP3 OH230977 4.265 4.126 -2.026 + 8223TIP3 H130978 4.197 4.192 -2.050 + 8223TIP3 H230979 4.329 4.141 -2.096 + 8224TIP3 OH230980 4.285 3.957 -2.296 + 8224TIP3 H130981 4.372 3.962 -2.255 + 8224TIP3 H230982 4.297 3.893 -2.367 + 8225TIP3 OH230983 3.765 4.212 -1.729 + 8225TIP3 H130984 3.742 4.173 -1.815 + 8225TIP3 H230985 3.838 4.154 -1.700 + 8226TIP3 OH230986 3.803 4.082 -1.394 + 8226TIP3 H130987 3.872 4.073 -1.462 + 8226TIP3 H230988 3.844 4.145 -1.332 + 8227TIP3 OH230989 3.597 4.152 -1.003 + 8227TIP3 H130990 3.610 4.212 -0.925 + 8227TIP3 H230991 3.501 4.142 -1.000 + 8228TIP3 OH230992 3.646 4.090 -1.973 + 8228TIP3 H130993 3.631 4.166 -2.034 + 8228TIP3 H230994 3.588 4.022 -2.009 + 8229TIP3 OH230995 3.262 4.312 -1.100 + 8229TIP3 H130996 3.238 4.286 -1.190 + 8229TIP3 H230997 3.279 4.226 -1.057 + 8230TIP3 OH230998 3.798 3.351 -1.406 + 8230TIP3 H130999 3.714 3.341 -1.454 + 8230TIP3 H231000 3.774 3.420 -1.343 + 8231TIP3 OH231001 4.234 3.284 -0.977 + 8231TIP3 H131002 4.244 3.212 -0.913 + 8231TIP3 H231003 4.143 3.269 -1.008 + 8232TIP3 OH231004 4.232 3.564 -2.307 + 8232TIP3 H131005 4.171 3.548 -2.233 + 8232TIP3 H231006 4.202 3.496 -2.369 + 8233TIP3 OH231007 3.777 3.828 -1.261 + 8233TIP3 H131008 3.721 3.837 -1.182 + 8233TIP3 H231009 3.783 3.919 -1.294 + 8234TIP3 OH231010 3.773 3.835 -1.776 + 8234TIP3 H131011 3.677 3.826 -1.792 + 8234TIP3 H231012 3.808 3.815 -1.864 + 8235TIP3 OH231013 4.275 3.878 -1.831 + 8235TIP3 H131014 4.271 3.974 -1.849 + 8235TIP3 H231015 4.367 3.863 -1.804 + 8236TIP3 OH231016 4.263 3.923 -0.706 + 8236TIP3 H131017 4.197 3.852 -0.716 + 8236TIP3 H231018 4.343 3.872 -0.731 + 8237TIP3 OH231019 3.519 3.843 -1.081 + 8237TIP3 H131020 3.543 3.876 -0.994 + 8237TIP3 H231021 3.486 3.754 -1.059 + 8238TIP3 OH231022 3.861 3.609 -2.421 + 8238TIP3 H131023 3.823 3.569 -2.340 + 8238TIP3 H231024 3.784 3.617 -2.479 + 8239TIP3 OH231025 3.213 3.610 -1.724 + 8239TIP3 H131026 3.261 3.592 -1.641 + 8239TIP3 H231027 3.250 3.546 -1.787 + 8240TIP3 OH231028 3.360 3.634 -2.142 + 8240TIP3 H131029 3.413 3.681 -2.209 + 8240TIP3 H231030 3.288 3.697 -2.128 + 8241TIP3 OH231031 4.346 3.973 -1.142 + 8241TIP3 H131032 4.378 3.902 -1.202 + 8241TIP3 H231033 4.272 3.925 -1.100 + 8242TIP3 OH231034 4.049 3.579 -1.668 + 8242TIP3 H131035 3.955 3.584 -1.644 + 8242TIP3 H231036 4.090 3.586 -1.580 + 8243TIP3 OH231037 3.506 3.725 -1.814 + 8243TIP3 H131038 3.418 3.733 -1.854 + 8243TIP3 H231039 3.538 3.641 -1.853 + 8244TIP3 OH231040 3.873 3.747 -2.039 + 8244TIP3 H131041 3.969 3.760 -2.030 + 8244TIP3 H231042 3.847 3.811 -2.108 + 8245TIP3 OH231043 3.718 3.882 -2.260 + 8245TIP3 H131044 3.662 3.844 -2.330 + 8245TIP3 H231045 3.802 3.893 -2.307 + 8246TIP3 OH231046 3.611 4.319 -0.795 + 8246TIP3 H131047 3.668 4.360 -0.726 + 8246TIP3 H231048 3.530 4.303 -0.741 + 8247TIP3 OH231049 4.145 3.829 -1.527 + 8247TIP3 H131050 4.215 3.781 -1.573 + 8247TIP3 H231051 4.161 3.802 -1.434 + 8248TIP3 OH231052 3.679 3.493 -1.873 + 8248TIP3 H131053 3.623 3.415 -1.855 + 8248TIP3 H231054 3.760 3.452 -1.906 + 8249TIP3 OH231055 4.051 3.686 -1.263 + 8249TIP3 H131056 3.978 3.749 -1.271 + 8249TIP3 H231057 4.105 3.726 -1.192 + 8250TIP3 OH231058 4.067 4.334 -2.064 + 8250TIP3 H131059 3.994 4.290 -2.113 + 8250TIP3 H231060 4.044 4.319 -1.972 + 8251TIP3 OH231061 3.572 4.224 -1.537 + 8251TIP3 H131062 3.656 4.231 -1.587 + 8251TIP3 H231063 3.599 4.163 -1.465 + 8252TIP3 OH231064 3.306 4.082 -0.966 + 8252TIP3 H131065 3.324 4.042 -0.878 + 8252TIP3 H231066 3.238 4.024 -1.003 + 8253TIP3 OH231067 4.002 4.068 -0.755 + 8253TIP3 H131068 3.954 4.009 -0.815 + 8253TIP3 H231069 4.088 4.025 -0.748 + 8254TIP3 OH231070 3.401 4.092 -2.309 + 8254TIP3 H131071 3.467 4.149 -2.268 + 8254TIP3 H231072 3.320 4.124 -2.266 + 8255TIP3 OH231073 3.439 3.563 -1.009 + 8255TIP3 H131074 3.347 3.588 -1.029 + 8255TIP3 H231075 3.425 3.479 -0.961 + 8256TIP3 OH231076 3.586 -4.386 -2.130 + 8256TIP3 H131077 3.496 -4.349 -2.117 + 8256TIP3 H231078 3.634 -4.307 -2.158 + 8257TIP3 OH231079 4.339 3.590 -1.100 + 8257TIP3 H131080 4.375 3.516 -1.052 + 8257TIP3 H231081 4.272 3.549 -1.156 + 8258TIP3 OH231082 4.135 3.675 -1.931 + 8258TIP3 H131083 4.197 3.747 -1.904 + 8258TIP3 H231084 4.099 3.656 -1.843 + 8259TIP3 OH231085 4.176 3.793 -1.019 + 8259TIP3 H131086 4.172 3.828 -0.929 + 8259TIP3 H231087 4.236 3.717 -1.011 + 8260TIP3 OH231088 4.193 3.389 -1.812 + 8260TIP3 H131089 4.166 3.467 -1.758 + 8260TIP3 H231090 4.271 3.424 -1.858 + 8261TIP3 OH231091 3.769 3.496 -2.185 + 8261TIP3 H131092 3.770 3.570 -2.122 + 8261TIP3 H231093 3.848 3.446 -2.159 + 8262TIP3 OH231094 3.423 3.800 -2.360 + 8262TIP3 H131095 3.434 3.895 -2.343 + 8262TIP3 H231096 3.341 3.797 -2.411 + 8263TIP3 OH231097 3.518 3.303 -1.485 + 8263TIP3 H131098 3.496 3.298 -1.580 + 8263TIP3 H231099 3.484 3.218 -1.451 + 8264TIP3 OH231100 3.366 4.306 -0.684 + 8264TIP3 H131101 3.346 4.213 -0.665 + 8264TIP3 H231102 3.281 4.346 -0.705 + 8265TIP3 OH231103 3.960 4.332 -0.723 + 8265TIP3 H131104 3.958 4.339 -0.820 + 8265TIP3 H231105 3.986 4.238 -0.713 + 8266TIP3 OH231106 3.430 4.017 -0.709 + 8266TIP3 H131107 3.499 3.950 -0.711 + 8266TIP3 H231108 3.434 4.044 -0.615 + 8267TIP3 OH231109 3.876 4.163 -2.193 + 8267TIP3 H131110 3.814 4.113 -2.140 + 8267TIP3 H231111 3.900 4.100 -2.263 + 8268TIP3 OH231112 3.798 3.944 -0.962 + 8268TIP3 H131113 3.741 4.021 -0.948 + 8268TIP3 H231114 3.861 3.977 -1.029 + 8269TIP3 OH231115 3.977 3.957 -2.369 + 8269TIP3 H131116 3.971 3.967 -2.466 + 8269TIP3 H231117 4.073 3.969 -2.354 + 8270TIP3 OH231118 4.287 4.197 -0.602 + 8270TIP3 H131119 4.351 4.161 -0.664 + 8270TIP3 H231120 4.235 4.118 -0.585 + 8271TIP3 OH231121 3.863 3.671 -0.844 + 8271TIP3 H131122 3.848 3.611 -0.918 + 8271TIP3 H231123 3.821 3.754 -0.873 + 8272TIP3 OH231124 3.886 3.511 -1.104 + 8272TIP3 H131125 3.934 3.571 -1.165 + 8272TIP3 H231126 3.794 3.515 -1.137 + 8273TIP3 OH231127 4.058 4.062 -1.089 + 8273TIP3 H131128 4.134 4.060 -1.149 + 8273TIP3 H231129 4.018 4.148 -1.110 + 8274TIP3 OH231130 3.973 3.251 -1.078 + 8274TIP3 H131131 3.946 3.345 -1.089 + 8274TIP3 H231132 3.903 3.206 -1.130 + 8275TIP3 OH231133 4.102 3.692 -0.711 + 8275TIP3 H131134 4.069 3.668 -0.623 + 8275TIP3 H231135 4.020 3.676 -0.763 + 8276TIP3 OH231136 3.535 3.608 -0.705 + 8276TIP3 H131137 3.532 3.529 -0.760 + 8276TIP3 H231138 3.521 3.573 -0.615 + 8277TIP3 OH231139 3.941 3.190 -0.793 + 8277TIP3 H131140 4.006 3.118 -0.791 + 8277TIP3 H231141 3.940 3.211 -0.888 + 8278TIP3 OH231142 4.043 3.370 -0.602 + 8278TIP3 H131143 4.004 3.319 -0.676 + 8278TIP3 H231144 3.979 3.444 -0.594 + 8279TIP3 OH231145 3.274 4.190 -1.379 + 8279TIP3 H131146 3.291 4.190 -1.474 + 8279TIP3 H231147 3.361 4.162 -1.344 + 8280TIP3 OH231148 3.270 3.713 -0.767 + 8280TIP3 H131149 3.365 3.698 -0.746 + 8280TIP3 H231150 3.233 3.626 -0.748 + 8281TIP3 OH231151 3.348 3.548 -1.478 + 8281TIP3 H131152 3.391 3.462 -1.464 + 8281TIP3 H231153 3.415 3.608 -1.439 + 8282TIP3 OH231154 3.202 3.816 -1.371 + 8282TIP3 H131155 3.264 3.812 -1.445 + 8282TIP3 H231156 3.237 3.891 -1.321 + 8283TIP3 OH231157 3.249 3.449 -1.963 + 8283TIP3 H131158 3.155 3.454 -1.985 + 8283TIP3 H231159 3.291 3.507 -2.029 + 8284TIP3 OH231160 3.258 3.343 -1.146 + 8284TIP3 H131161 3.189 3.305 -1.090 + 8284TIP3 H231162 3.204 3.384 -1.216 + 8285TIP3 OH231163 4.263 3.398 -1.521 + 8285TIP3 H131164 4.181 3.348 -1.508 + 8285TIP3 H231165 4.296 3.359 -1.603 + 8286TIP3 OH231166 3.482 3.302 -1.772 + 8286TIP3 H131167 3.394 3.285 -1.812 + 8286TIP3 H231168 3.523 3.214 -1.780 + 8287TIP3 OH231169 3.360 3.251 -2.181 + 8287TIP3 H131170 3.412 3.316 -2.231 + 8287TIP3 H231171 3.322 3.304 -2.110 + 8288TIP3 OH231172 3.932 3.286 -1.779 + 8288TIP3 H131173 4.025 3.314 -1.786 + 8288TIP3 H231174 3.924 3.275 -1.684 + 8289TIP3 OH231175 3.533 3.433 -2.336 + 8289TIP3 H131176 3.592 3.377 -2.388 + 8289TIP3 H231177 3.594 3.465 -2.267 + 8290TIP3 OH231178 4.066 3.451 -2.080 + 8290TIP3 H131179 4.066 3.390 -2.005 + 8290TIP3 H231180 4.061 3.537 -2.035 + 8291TIP3 OH231181 3.458 3.331 -0.810 + 8291TIP3 H131182 3.422 3.247 -0.778 + 8291TIP3 H231183 3.551 3.322 -0.785 + 8292TIP3 OH231184 3.698 3.261 -0.642 + 8292TIP3 H131185 3.781 3.227 -0.681 + 8292TIP3 H231186 3.663 3.181 -0.600 + 8293TIP3 OH231187 -3.161 -3.367 0.145 + 8293TIP3 H131188 -3.160 -3.271 0.155 + 8293TIP3 H231189 -3.237 -3.379 0.086 + 8294TIP3 OH231190 -3.277 -3.422 0.451 + 8294TIP3 H131191 -3.276 -3.478 0.530 + 8294TIP3 H231192 -3.302 -3.485 0.382 + 8295TIP3 OH231193 -4.029 -3.463 0.616 + 8295TIP3 H131194 -4.032 -3.537 0.679 + 8295TIP3 H231195 -3.958 -3.409 0.654 + 8296TIP3 OH231196 -2.908 -3.149 0.283 + 8296TIP3 H131197 -2.944 -3.220 0.338 + 8296TIP3 H231198 -2.876 -3.087 0.350 + 8297TIP3 OH231199 -3.960 -3.003 0.467 + 8297TIP3 H131200 -3.987 -3.092 0.440 + 8297TIP3 H231201 -3.866 -3.017 0.485 + 8298TIP3 OH231202 -4.214 -3.612 -0.107 + 8298TIP3 H131203 -4.227 -3.536 -0.048 + 8298TIP3 H231204 -4.306 -3.639 -0.121 + 8299TIP3 OH231205 -4.204 -3.430 0.165 + 8299TIP3 H131206 -4.188 -3.488 0.241 + 8299TIP3 H231207 -4.120 -3.383 0.156 + 8300TIP3 OH231208 -3.203 -2.614 0.340 + 8300TIP3 H131209 -3.143 -2.683 0.307 + 8300TIP3 H231210 -3.227 -2.649 0.426 + 8301TIP3 OH231211 -3.426 -3.172 0.508 + 8301TIP3 H131212 -3.393 -3.244 0.451 + 8301TIP3 H231213 -3.345 -3.155 0.559 + 8302TIP3 OH231214 -2.563 -4.013 0.554 + 8302TIP3 H131215 -2.532 -3.982 0.640 + 8302TIP3 H231216 -2.496 -3.974 0.496 + 8303TIP3 OH231217 -3.100 -3.740 0.560 + 8303TIP3 H131218 -3.077 -3.835 0.561 + 8303TIP3 H231219 -3.105 -3.724 0.464 + 8304TIP3 OH231220 -3.802 -3.941 0.270 + 8304TIP3 H131221 -3.783 -3.857 0.224 + 8304TIP3 H231222 -3.832 -3.995 0.195 + 8305TIP3 OH231223 -3.011 -3.922 0.102 + 8305TIP3 H131224 -2.950 -3.964 0.166 + 8305TIP3 H231225 -2.948 -3.877 0.044 + 8306TIP3 OH231226 -4.139 -3.663 0.320 + 8306TIP3 H131227 -4.080 -3.705 0.385 + 8306TIP3 H231228 -4.120 -3.716 0.241 + 8307TIP3 OH231229 -3.593 -3.526 0.264 + 8307TIP3 H131230 -3.522 -3.580 0.301 + 8307TIP3 H231231 -3.643 -3.593 0.214 + 8308TIP3 OH231232 -2.472 -3.841 0.819 + 8308TIP3 H131233 -2.560 -3.803 0.803 + 8308TIP3 H231234 -2.486 -3.904 0.890 + 8309TIP3 OH231235 -3.917 -4.051 0.689 + 8309TIP3 H131236 -3.957 -4.010 0.612 + 8309TIP3 H231237 -3.987 -4.034 0.756 + 8310TIP3 OH231238 -3.172 -3.084 0.023 + 8310TIP3 H131239 -3.200 -3.103 -0.067 + 8310TIP3 H231240 -3.215 -2.998 0.041 + 8311TIP3 OH231241 -3.626 -3.270 0.695 + 8311TIP3 H131242 -3.698 -3.209 0.720 + 8311TIP3 H231243 -3.562 -3.210 0.651 + 8312TIP3 OH231244 -2.823 -4.015 0.305 + 8312TIP3 H131245 -2.873 -4.058 0.376 + 8312TIP3 H231246 -2.769 -3.952 0.355 + 8313TIP3 OH231247 -3.958 -3.850 0.476 + 8313TIP3 H131248 -3.893 -3.793 0.521 + 8313TIP3 H231249 -3.902 -3.888 0.405 + 8314TIP3 OH231250 -3.828 -3.083 0.768 + 8314TIP3 H131251 -3.829 -2.992 0.735 + 8314TIP3 H231252 -3.916 -3.088 0.809 + 8315TIP3 OH231253 -4.183 -3.119 -0.142 + 8315TIP3 H131254 -4.264 -3.101 -0.194 + 8315TIP3 H231255 -4.192 -3.058 -0.067 + 8316TIP3 OH231256 -2.852 -2.968 0.533 + 8316TIP3 H131257 -2.948 -2.954 0.533 + 8316TIP3 H231258 -2.821 -2.883 0.496 + 8317TIP3 OH231259 -2.807 -4.111 0.702 + 8317TIP3 H131260 -2.887 -4.076 0.660 + 8317TIP3 H231261 -2.739 -4.096 0.634 + 8318TIP3 OH231262 -3.496 4.381 0.415 + 8318TIP3 H131263 -3.502 4.285 0.415 + 8318TIP3 H231264 -3.586 4.412 0.437 + 8319TIP3 OH231265 -3.020 -2.773 0.189 + 8319TIP3 H131266 -2.972 -2.852 0.159 + 8319TIP3 H231267 -2.951 -2.704 0.179 + 8320TIP3 OH231268 -2.876 -2.987 0.052 + 8320TIP3 H131269 -2.925 -3.034 -0.018 + 8320TIP3 H231270 -2.881 -3.051 0.125 + 8321TIP3 OH231271 -2.723 -3.105 0.901 + 8321TIP3 H131272 -2.731 -3.169 0.827 + 8321TIP3 H231273 -2.709 -3.022 0.853 + 8322TIP3 OH231274 -3.297 -3.415 -0.130 + 8322TIP3 H131275 -3.361 -3.353 -0.169 + 8322TIP3 H231276 -3.223 -3.409 -0.194 + 8323TIP3 OH231277 -3.267 -3.596 -0.425 + 8323TIP3 H131278 -3.198 -3.565 -0.363 + 8323TIP3 H231279 -3.214 -3.653 -0.483 + 8324TIP3 OH231280 -2.546 -3.487 0.699 + 8324TIP3 H131281 -2.617 -3.421 0.702 + 8324TIP3 H231282 -2.496 -3.458 0.620 + 8325TIP3 OH231283 -2.944 -3.416 -0.022 + 8325TIP3 H131284 -3.012 -3.393 0.046 + 8325TIP3 H231285 -2.882 -3.470 0.030 + 8326TIP3 OH231286 -2.961 -3.562 0.861 + 8326TIP3 H131287 -2.954 -3.481 0.914 + 8326TIP3 H231288 -3.024 -3.531 0.794 + 8327TIP3 OH231289 -3.783 -3.337 0.155 + 8327TIP3 H131290 -3.815 -3.381 0.074 + 8327TIP3 H231291 -3.718 -3.401 0.188 + 8328TIP3 OH231292 -3.649 -2.999 0.430 + 8328TIP3 H131293 -3.657 -3.035 0.341 + 8328TIP3 H231294 -3.568 -3.044 0.462 + 8329TIP3 OH231295 -3.728 -3.454 0.503 + 8329TIP3 H131296 -3.670 -3.453 0.425 + 8329TIP3 H231297 -3.686 -3.389 0.563 + 8330TIP3 OH231298 -3.135 -2.904 0.562 + 8330TIP3 H131299 -3.129 -2.837 0.632 + 8330TIP3 H231300 -3.154 -2.986 0.610 + 8331TIP3 OH231301 -3.642 -3.026 0.988 + 8331TIP3 H131302 -3.694 -2.958 1.036 + 8331TIP3 H231303 -3.706 -3.051 0.918 + 8332TIP3 OH231304 -3.049 -3.471 -0.276 + 8332TIP3 H131305 -3.001 -3.443 -0.195 + 8332TIP3 H231306 -2.999 -3.420 -0.345 + 8333TIP3 OH231307 -3.956 -3.390 0.904 + 8333TIP3 H131308 -3.947 -3.329 0.979 + 8333TIP3 H231309 -4.053 -3.393 0.893 + 8334TIP3 OH231310 -3.305 -2.810 0.081 + 8334TIP3 H131311 -3.254 -2.781 0.158 + 8334TIP3 H231312 -3.353 -2.730 0.054 + 8335TIP3 OH231313 -3.836 -2.808 1.072 + 8335TIP3 H131314 -3.842 -2.803 0.975 + 8335TIP3 H231315 -3.927 -2.827 1.099 + 8336TIP3 OH231316 -2.728 -4.325 -0.353 + 8336TIP3 H131317 -2.771 -4.322 -0.267 + 8336TIP3 H231318 -2.652 -4.268 -0.336 + 8337TIP3 OH231319 -3.893 -3.464 -0.092 + 8337TIP3 H131320 -3.916 -3.387 -0.147 + 8337TIP3 H231321 -3.962 -3.527 -0.116 + 8338TIP3 OH231322 -2.566 -2.878 -0.471 + 8338TIP3 H131323 -2.548 -2.785 -0.447 + 8338TIP3 H231324 -2.479 -2.920 -0.452 + 8339TIP3 OH231325 -4.267 -3.180 0.761 + 8339TIP3 H131326 -4.287 -3.215 0.672 + 8339TIP3 H231327 -4.306 -3.250 0.817 + 8340TIP3 OH231328 -4.281 -2.900 0.458 + 8340TIP3 H131329 -4.197 -2.944 0.476 + 8340TIP3 H231330 -4.298 -2.853 0.540 + 8341TIP3 OH231331 -2.441 -2.842 1.056 + 8341TIP3 H131332 -2.452 -2.936 1.032 + 8341TIP3 H231333 -2.533 -2.818 1.080 + 8342TIP3 OH231334 -3.378 -2.920 0.932 + 8342TIP3 H131335 -3.370 -2.837 0.983 + 8342TIP3 H231336 -3.468 -2.949 0.955 + 8343TIP3 OH231337 -3.354 -2.537 -0.072 + 8343TIP3 H131338 -3.346 -2.528 -0.168 + 8343TIP3 H231339 -3.343 -2.446 -0.040 + 8344TIP3 OH231340 -3.979 -2.623 0.093 + 8344TIP3 H131341 -3.953 -2.666 0.177 + 8344TIP3 H231342 -4.055 -2.678 0.070 + 8345TIP3 OH231343 -3.020 -2.596 -0.353 + 8345TIP3 H131344 -2.961 -2.661 -0.397 + 8345TIP3 H231345 -3.024 -2.634 -0.263 + 8346TIP3 OH231346 -3.081 -2.653 -0.074 + 8346TIP3 H131347 -3.175 -2.642 -0.056 + 8346TIP3 H231348 -3.059 -2.723 -0.009 + 8347TIP3 OH231349 -2.763 -3.708 1.092 + 8347TIP3 H131350 -2.812 -3.668 1.019 + 8347TIP3 H231351 -2.755 -3.800 1.063 + 8348TIP3 OH231352 -4.072 -3.040 0.910 + 8348TIP3 H131353 -4.042 -3.099 0.982 + 8348TIP3 H231354 -4.147 -3.090 0.870 + 8349TIP3 OH231355 -3.753 -4.223 0.498 + 8349TIP3 H131356 -3.839 -4.230 0.454 + 8349TIP3 H231357 -3.763 -4.136 0.540 + 8350TIP3 OH231358 -3.290 -4.263 0.854 + 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8392TIP3 H131485 -3.777 -2.637 0.048 + 8392TIP3 H231486 -3.645 -2.565 0.064 + 8393TIP3 OH231487 -3.186 -3.172 0.672 + 8393TIP3 H131488 -3.213 -3.200 0.762 + 8393TIP3 H231489 -3.111 -3.232 0.655 + 8394TIP3 OH231490 -2.971 -3.043 -0.435 + 8394TIP3 H131491 -2.925 -3.085 -0.361 + 8394TIP3 H231492 -3.063 -3.057 -0.407 + 8395TIP3 OH231493 -2.892 -2.714 0.913 + 8395TIP3 H131494 -2.967 -2.758 0.869 + 8395TIP3 H231495 -2.879 -2.635 0.858 + 8396TIP3 OH231496 -2.490 -2.605 -0.376 + 8396TIP3 H131497 -2.430 -2.545 -0.423 + 8396TIP3 H231498 -2.571 -2.550 -0.376 + 8397TIP3 OH231499 -4.107 -3.957 0.883 + 8397TIP3 H131500 -4.196 -3.924 0.864 + 8397TIP3 H231501 -4.124 -4.045 0.922 + 8398TIP3 OH231502 -2.873 -3.180 -0.195 + 8398TIP3 H131503 -2.898 -3.253 -0.136 + 8398TIP3 H231504 -2.776 -3.182 -0.189 + 8399TIP3 OH231505 -4.129 -2.799 0.726 + 8399TIP3 H131506 -4.109 -2.893 0.735 + 8399TIP3 H231507 -4.094 -2.766 0.809 + 8400TIP3 OH231508 -3.547 -2.936 -0.578 + 8400TIP3 H131509 -3.514 -3.014 -0.626 + 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8409TIP3 OH231535 -3.647 -2.715 -0.243 + 8409TIP3 H131536 -3.652 -2.633 -0.297 + 8409TIP3 H231537 -3.657 -2.681 -0.153 + 8410TIP3 OH231538 -3.775 -4.050 -0.289 + 8410TIP3 H131539 -3.772 -3.968 -0.238 + 8410TIP3 H231540 -3.688 -4.088 -0.267 + 8411TIP3 OH231541 -2.735 -3.963 0.956 + 8411TIP3 H131542 -2.830 -3.952 0.938 + 8411TIP3 H231543 -2.705 -3.987 0.867 + 8412TIP3 OH231544 -2.889 -3.574 0.364 + 8412TIP3 H131545 -2.970 -3.621 0.336 + 8412TIP3 H231546 -2.839 -3.646 0.410 + 8413TIP3 OH231547 -3.931 -2.957 -0.390 + 8413TIP3 H131548 -3.855 -2.915 -0.348 + 8413TIP3 H231549 -3.885 -3.013 -0.454 + 8414TIP3 OH231550 -4.112 -3.746 -0.476 + 8414TIP3 H131551 -4.106 -3.651 -0.454 + 8414TIP3 H231552 -4.196 -3.754 -0.522 + 8415TIP3 OH231553 -2.788 -2.688 0.503 + 8415TIP3 H131554 -2.804 -2.607 0.451 + 8415TIP3 H231555 -2.694 -2.675 0.525 + 8416TIP3 OH231556 -4.076 -4.236 0.421 + 8416TIP3 H131557 -4.060 -4.256 0.327 + 8416TIP3 H231558 -4.110 -4.322 0.451 + 8417TIP3 OH231559 -4.135 -2.877 0.029 + 8417TIP3 H131560 -4.227 -2.848 0.032 + 8417TIP3 H231561 -4.105 -2.841 -0.056 + 8418TIP3 OH231562 -4.214 -2.605 1.148 + 8418TIP3 H131563 -4.151 -2.604 1.222 + 8418TIP3 H231564 -4.214 -2.701 1.133 + 8419TIP3 OH231565 -3.727 -2.692 1.321 + 8419TIP3 H131566 -3.657 -2.756 1.342 + 8419TIP3 H231567 -3.750 -2.718 1.231 + 8420TIP3 OH231568 -3.323 -2.766 -0.527 + 8420TIP3 H131569 -3.397 -2.829 -0.538 + 8420TIP3 H231570 -3.250 -2.818 -0.565 + 8421TIP3 OH231571 -3.082 -2.863 1.181 + 8421TIP3 H131572 -3.118 -2.947 1.216 + 8421TIP3 H231573 -3.011 -2.842 1.243 + 8422TIP3 OH231574 -2.861 -2.775 -0.517 + 8422TIP3 H131575 -2.842 -2.854 -0.464 + 8422TIP3 H231576 -2.782 -2.770 -0.574 + 8423TIP3 OH231577 -4.200 -3.200 1.210 + 8423TIP3 H131578 -4.189 -3.289 1.173 + 8423TIP3 H231579 -4.287 -3.174 1.176 + 8424TIP3 OH231580 -3.782 -3.195 -0.545 + 8424TIP3 H131581 -3.762 -3.252 -0.468 + 8424TIP3 H231582 -3.695 -3.195 -0.590 + 8425TIP3 OH231583 -3.540 -3.216 1.190 + 8425TIP3 H131584 -3.568 -3.183 1.103 + 8425TIP3 H231585 -3.531 -3.312 1.174 + 8426TIP3 OH231586 -3.261 -3.062 -0.582 + 8426TIP3 H131587 -3.259 -3.065 -0.485 + 8426TIP3 H231588 -3.262 -3.158 -0.602 + 8427TIP3 OH231589 -3.002 -3.253 0.928 + 8427TIP3 H131590 -2.922 -3.201 0.907 + 8427TIP3 H231591 -3.070 -3.184 0.925 + 8428TIP3 OH231592 -4.135 -3.532 1.188 + 8428TIP3 H131593 -4.053 -3.584 1.175 + 8428TIP3 H231594 -4.122 -3.498 1.278 + 8429TIP3 OH231595 -3.675 -3.383 -0.312 + 8429TIP3 H131596 -3.733 -3.436 -0.254 + 8429TIP3 H231597 -3.642 -3.451 -0.374 + 8430TIP3 OH231598 -3.751 -3.608 0.915 + 8430TIP3 H131599 -3.805 -3.529 0.933 + 8430TIP3 H231600 -3.684 -3.574 0.854 + 8431TIP3 OH231601 -3.576 -3.583 -0.484 + 8431TIP3 H131602 -3.579 -3.575 -0.582 + 8431TIP3 H231603 -3.480 -3.588 -0.468 + 8432TIP3 OH231604 -3.219 -3.337 1.271 + 8432TIP3 H131605 -3.129 -3.356 1.239 + 8432TIP3 H231606 -3.243 -3.422 1.311 + 8433TIP3 OH231607 -2.626 -3.333 -0.552 + 8433TIP3 H131608 -2.634 -3.373 -0.639 + 8433TIP3 H231609 -2.633 -3.238 -0.575 + 8434TIP3 OH231610 -3.694 -3.881 1.026 + 8434TIP3 H131611 -3.682 -3.944 0.953 + 8434TIP3 H231612 -3.711 -3.798 0.978 + 8435TIP3 OH231613 -3.651 -4.038 0.768 + 8435TIP3 H131614 -3.599 -3.981 0.708 + 8435TIP3 H231615 -3.743 -4.026 0.735 + 8436TIP3 OH231616 -3.502 -3.488 0.815 + 8436TIP3 H131617 -3.418 -3.496 0.767 + 8436TIP3 H231618 -3.532 -3.400 0.784 + 8437TIP3 OH231619 -3.045 -3.693 1.293 + 8437TIP3 H131620 -3.023 -3.787 1.307 + 8437TIP3 H231621 -2.956 -3.654 1.287 + 8438TIP3 OH231622 -2.948 -3.415 1.142 + 8438TIP3 H131623 -2.982 -3.353 1.073 + 8438TIP3 H231624 -2.858 -3.430 1.107 + 8439TIP3 OH231625 -3.881 -3.691 1.207 + 8439TIP3 H131626 -3.928 -3.777 1.206 + 8439TIP3 H231627 -3.797 -3.716 1.164 + 8440TIP3 OH231628 -3.607 -4.277 0.893 + 8440TIP3 H131629 -3.591 -4.188 0.856 + 8440TIP3 H231630 -3.699 -4.287 0.866 + 8441TIP3 OH231631 -3.457 -3.844 1.186 + 8441TIP3 H131632 -3.488 -3.871 1.274 + 8441TIP3 H231633 -3.538 -3.863 1.134 + 8442TIP3 OH231634 -3.197 -3.944 1.085 + 8442TIP3 H131635 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0.519 + 8459TIP3 H131686 -4.222 -3.313 0.431 + 8459TIP3 H231687 -4.176 -3.377 0.558 + 8460TIP3 OH231688 -2.684 -3.394 1.044 + 8460TIP3 H131689 -2.608 -3.455 1.047 + 8460TIP3 H231690 -2.642 -3.312 1.015 + 8461TIP3 OH231691 -2.522 -3.594 1.158 + 8461TIP3 H131692 -2.606 -3.637 1.134 + 8461TIP3 H231693 -2.460 -3.670 1.149 + 8462TIP3 OH231694 -2.745 -3.970 -0.561 + 8462TIP3 H131695 -2.685 -4.012 -0.496 + 8462TIP3 H231696 -2.828 -4.019 -0.549 + 8463TIP3 OH231697 -2.764 -3.827 -0.059 + 8463TIP3 H131698 -2.746 -3.924 -0.054 + 8463TIP3 H231699 -2.682 -3.796 -0.101 + 8464TIP3 OH231700 -2.738 -3.774 0.480 + 8464TIP3 H131701 -2.640 -3.764 0.475 + 8464TIP3 H231702 -2.749 -3.776 0.577 + 8465TIP3 OH231703 -2.723 -3.708 0.767 + 8465TIP3 H131704 -2.806 -3.662 0.790 + 8465TIP3 H231705 -2.664 -3.633 0.745 + 8466TIP3 OH231706 -4.282 -3.838 1.145 + 8466TIP3 H131707 -4.200 -3.880 1.116 + 8466TIP3 H231708 -4.347 -3.910 1.145 + 8467TIP3 OH231709 -2.462 -4.294 1.315 + 8467TIP3 H131710 -2.403 -4.363 1.280 + 8467TIP3 H231711 -2.476 -4.232 1.241 + 8468TIP3 OH231712 -2.734 -4.098 -0.052 + 8468TIP3 H131713 -2.709 -4.148 0.028 + 8468TIP3 H231714 -2.796 -4.160 -0.094 + 8469TIP3 OH231715 -4.194 -3.989 0.437 + 8469TIP3 H131716 -4.160 -4.081 0.443 + 8469TIP3 H231717 -4.114 -3.938 0.457 + 8470TIP3 OH231718 -4.333 -3.727 0.527 + 8470TIP3 H131719 -4.294 -3.779 0.455 + 8470TIP3 H231720 -4.313 -3.637 0.498 + 8471TIP3 OH231721 -2.535 -4.102 1.128 + 8471TIP3 H131722 -2.623 -4.061 1.123 + 8471TIP3 H231723 -2.529 -4.140 1.040 + 8472TIP3 OH231724 -2.521 -4.058 -0.391 + 8472TIP3 H131725 -2.501 -4.142 -0.436 + 8472TIP3 H231726 -2.435 -4.014 -0.388 + 8473TIP3 OH231727 -4.316 -4.108 -0.116 + 8473TIP3 H131728 -4.398 -4.079 -0.157 + 8473TIP3 H231729 -4.254 -4.040 -0.152 + 8474TIP3 OH231730 -2.828 -2.568 0.133 + 8474TIP3 H131731 -2.781 -2.592 0.051 + 8474TIP3 H231732 -2.757 -2.527 0.184 + 8475TIP3 OH231733 -4.292 -4.164 0.719 + 8475TIP3 H131734 -4.350 -4.225 0.769 + 8475TIP3 H231735 -4.328 -4.167 0.630 + 8476TIP3 OH231736 -4.120 -2.861 1.182 + 8476TIP3 H131737 -4.168 -2.926 1.130 + 8476TIP3 H231738 -4.134 -2.896 1.273 + 8477TIP3 OH231739 -3.802 -2.796 0.774 + 8477TIP3 H131740 -3.832 -2.713 0.734 + 8477TIP3 H231741 -3.706 -2.788 0.756 + 8478TIP3 OH231742 -3.353 -2.667 1.073 + 8478TIP3 H131743 -3.335 -2.684 1.167 + 8478TIP3 H231744 -3.270 -2.622 1.046 + 8479TIP3 OH231745 -3.125 -2.523 0.997 + 8479TIP3 H131746 -3.054 -2.584 0.972 + 8479TIP3 H231747 -3.092 -2.490 1.083 + 8480TIP3 OH231748 -2.677 -4.282 0.919 + 8480TIP3 H131749 -2.710 -4.210 0.863 + 8480TIP3 H231750 -2.663 -4.351 0.852 + 8481TIP3 OH231751 -4.070 -2.492 0.798 + 8481TIP3 H131752 -4.137 -2.441 0.749 + 8481TIP3 H231753 -4.102 -2.485 0.888 + 8482TIP3 OH231754 -3.819 -2.526 0.661 + 8482TIP3 H131755 -3.905 -2.506 0.702 + 8482TIP3 H231756 -3.813 -2.458 0.591 + 8483TIP3 OH231757 -3.343 -2.526 0.617 + 8483TIP3 H131758 -3.377 -2.480 0.538 + 8483TIP3 H231759 -3.331 -2.451 0.678 + 8484TIP3 OH231760 -3.109 -2.655 0.709 + 8484TIP3 H131761 -3.192 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8493TIP3 OH231787 -4.205 -4.300 -0.300 + 8493TIP3 H131788 -4.170 -4.233 -0.361 + 8493TIP3 H231789 -4.259 -4.246 -0.240 + 8494TIP3 OH231790 -3.614 -4.219 0.125 + 8494TIP3 H131791 -3.522 -4.234 0.098 + 8494TIP3 H231792 -3.635 -4.298 0.176 + 8495TIP3 OH231793 -3.060 -4.265 0.256 + 8495TIP3 H131794 -3.026 -4.261 0.166 + 8495TIP3 H231795 -3.072 -4.359 0.271 + 8496TIP3 OH231796 -2.950 -4.272 -0.148 + 8496TIP3 H131797 -3.024 -4.212 -0.167 + 8496TIP3 H231798 -2.991 -4.360 -0.152 + 8497TIP3 OH231799 -4.189 -2.692 -0.198 + 8497TIP3 H131800 -4.250 -2.711 -0.270 + 8497TIP3 H231801 -4.182 -2.595 -0.202 + 8498TIP3 OH231802 -4.008 -4.111 -0.444 + 8498TIP3 H131803 -3.943 -4.158 -0.498 + 8498TIP3 H231804 -3.951 -4.070 -0.377 + 8499TIP3 OH231805 -3.492 -4.059 -0.210 + 8499TIP3 H131806 -3.482 -4.143 -0.161 + 8499TIP3 H231807 -3.470 -3.991 -0.143 + 8500TIP3 OH231808 -3.296 -2.513 -0.366 + 8500TIP3 H131809 -3.198 -2.511 -0.370 + 8500TIP3 H231810 -3.314 -2.580 -0.435 + 8501TIP3 OH231811 -2.648 -2.609 -0.103 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H231837 -0.995 -3.082 0.344 + 8510TIP3 OH231838 -2.076 -3.005 0.472 + 8510TIP3 H131839 -2.097 -3.097 0.449 + 8510TIP3 H231840 -1.980 -3.012 0.486 + 8511TIP3 OH231841 -2.382 -3.665 0.007 + 8511TIP3 H131842 -2.415 -3.575 0.018 + 8511TIP3 H231843 -2.456 -3.707 -0.040 + 8512TIP3 OH231844 -2.290 -3.433 0.208 + 8512TIP3 H131845 -2.267 -3.514 0.257 + 8512TIP3 H231846 -2.209 -3.418 0.156 + 8513TIP3 OH231847 -1.324 -2.624 0.336 + 8513TIP3 H131848 -1.250 -2.682 0.310 + 8513TIP3 H231849 -1.339 -2.650 0.428 + 8514TIP3 OH231850 -1.541 -3.172 0.509 + 8514TIP3 H131851 -1.508 -3.239 0.448 + 8514TIP3 H231852 -1.458 -3.155 0.558 + 8515TIP3 OH231853 -0.685 -4.018 0.565 + 8515TIP3 H131854 -0.652 -3.972 0.643 + 8515TIP3 H231855 -0.621 -3.989 0.498 + 8516TIP3 OH231856 -1.214 -3.740 0.562 + 8516TIP3 H131857 -1.192 -3.835 0.559 + 8516TIP3 H231858 -1.219 -3.719 0.468 + 8517TIP3 OH231859 -1.907 -3.944 0.286 + 8517TIP3 H131860 -1.915 -3.849 0.268 + 8517TIP3 H231861 -1.960 -3.982 0.214 + 8518TIP3 OH231862 -1.125 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8526TIP3 H231888 -2.293 -3.041 -0.078 + 8527TIP3 OH231889 -0.966 -2.966 0.534 + 8527TIP3 H131890 -1.062 -2.953 0.533 + 8527TIP3 H231891 -0.936 -2.882 0.495 + 8528TIP3 OH231892 -0.923 -4.111 0.705 + 8528TIP3 H131893 -1.003 -4.077 0.661 + 8528TIP3 H231894 -0.855 -4.096 0.636 + 8529TIP3 OH231895 -1.633 4.383 0.401 + 8529TIP3 H131896 -1.627 4.291 0.429 + 8529TIP3 H231897 -1.708 4.420 0.450 + 8530TIP3 OH231898 -1.116 -2.772 0.204 + 8530TIP3 H131899 -1.083 -2.845 0.149 + 8530TIP3 H231900 -1.102 -2.695 0.148 + 8531TIP3 OH231901 -0.986 -2.978 0.040 + 8531TIP3 H131902 -1.030 -3.028 -0.030 + 8531TIP3 H231903 -0.988 -3.041 0.114 + 8532TIP3 OH231904 -0.835 -3.106 0.901 + 8532TIP3 H131905 -0.846 -3.167 0.826 + 8532TIP3 H231906 -0.826 -3.020 0.855 + 8533TIP3 OH231907 -1.413 -3.417 -0.132 + 8533TIP3 H131908 -1.477 -3.351 -0.166 + 8533TIP3 H231909 -1.339 -3.406 -0.193 + 8534TIP3 OH231910 -1.380 -3.598 -0.424 + 8534TIP3 H131911 -1.313 -3.565 -0.362 + 8534TIP3 H231912 -1.325 -3.652 -0.483 + 8535TIP3 OH231913 -0.661 -3.488 0.695 + 8535TIP3 H131914 -0.733 -3.422 0.701 + 8535TIP3 H231915 -0.612 -3.454 0.617 + 8536TIP3 OH231916 -1.060 -3.418 -0.022 + 8536TIP3 H131917 -1.127 -3.391 0.045 + 8536TIP3 H231918 -0.998 -3.470 0.032 + 8537TIP3 OH231919 -1.078 -3.562 0.861 + 8537TIP3 H131920 -1.069 -3.480 0.913 + 8537TIP3 H231921 -1.140 -3.530 0.793 + 8538TIP3 OH231922 -1.905 -3.340 0.160 + 8538TIP3 H131923 -1.932 -3.381 0.075 + 8538TIP3 H231924 -1.834 -3.400 0.189 + 8539TIP3 OH231925 -1.768 -3.004 0.432 + 8539TIP3 H131926 -1.773 -3.033 0.340 + 8539TIP3 H231927 -1.684 -3.044 0.462 + 8540TIP3 OH231928 -1.850 -3.480 0.514 + 8540TIP3 H131929 -1.794 -3.474 0.435 + 8540TIP3 H231930 -1.809 -3.417 0.575 + 8541TIP3 OH231931 -1.247 -2.905 0.563 + 8541TIP3 H131932 -1.244 -2.835 0.629 + 8541TIP3 H231933 -1.267 -2.986 0.614 + 8542TIP3 OH231934 -1.758 -3.028 0.994 + 8542TIP3 H131935 -1.809 -2.956 1.034 + 8542TIP3 H231936 -1.817 -3.054 0.920 + 8543TIP3 OH231937 -1.161 -3.474 -0.276 + 8543TIP3 H131938 -1.116 -3.442 -0.194 + 8543TIP3 H231939 -1.113 -3.420 -0.344 + 8544TIP3 OH231940 -2.040 -3.417 0.916 + 8544TIP3 H131941 -2.042 -3.347 0.982 + 8544TIP3 H231942 -2.130 -3.414 0.881 + 8545TIP3 OH231943 -1.420 -2.814 0.088 + 8545TIP3 H131944 -1.366 -2.773 0.157 + 8545TIP3 H231945 -1.454 -2.737 0.041 + 8546TIP3 OH231946 -1.944 -2.807 1.072 + 8546TIP3 H131947 -1.952 -2.797 0.975 + 8546TIP3 H231948 -2.034 -2.833 1.098 + 8547TIP3 OH231949 -0.844 -4.323 -0.355 + 8547TIP3 H131950 -0.885 -4.323 -0.267 + 8547TIP3 H231951 -0.766 -4.268 -0.337 + 8548TIP3 OH231952 -2.006 -3.463 -0.091 + 8548TIP3 H131953 -2.026 -3.387 -0.148 + 8548TIP3 H231954 -2.073 -3.527 -0.120 + 8549TIP3 OH231955 -0.685 -2.844 -0.456 + 8549TIP3 H131956 -0.663 -2.753 -0.435 + 8549TIP3 H231957 -0.604 -2.892 -0.431 + 8550TIP3 OH231958 -2.403 -3.195 0.783 + 8550TIP3 H131959 -2.443 -3.196 0.694 + 8550TIP3 H231960 -2.387 -3.290 0.798 + 8551TIP3 OH231961 -2.396 -2.906 0.476 + 8551TIP3 H131962 -2.303 -2.931 0.479 + 8551TIP3 H231963 -2.399 -2.840 0.548 + 8552TIP3 OH231964 -0.557 -2.842 1.056 + 8552TIP3 H131965 -0.569 -2.935 1.033 + 8552TIP3 H231966 -0.649 -2.817 1.081 + 8553TIP3 OH231967 -1.491 -2.922 0.935 + 8553TIP3 H131968 -1.485 -2.837 0.983 + 8553TIP3 H231969 -1.583 -2.948 0.953 + 8554TIP3 OH231970 -2.074 -2.631 0.088 + 8554TIP3 H131971 -2.066 -2.667 0.178 + 8554TIP3 H231972 -2.165 -2.654 0.065 + 8555TIP3 OH231973 -0.879 -3.710 1.093 + 8555TIP3 H131974 -0.927 -3.667 1.020 + 8555TIP3 H231975 -0.871 -3.801 1.060 + 8556TIP3 OH231976 -2.184 -3.040 0.909 + 8556TIP3 H131977 -2.154 -3.092 0.986 + 8556TIP3 H231978 -2.256 -3.094 0.873 + 8557TIP3 OH231979 -1.876 -4.194 0.532 + 8557TIP3 H131980 -1.952 -4.218 0.478 + 8557TIP3 H231981 -1.896 -4.100 0.548 + 8558TIP3 OH231982 -1.406 -4.264 0.854 + 8558TIP3 H131983 -1.390 -4.310 0.937 + 8558TIP3 H231984 -1.502 -4.275 0.844 + 8559TIP3 OH231985 -1.110 -3.865 0.897 + 8559TIP3 H131986 -1.166 -3.873 0.976 + 8559TIP3 H231987 -1.112 -3.770 0.877 + 8560TIP3 OH231988 -1.013 -3.364 -0.479 + 8560TIP3 H131989 -1.026 -3.380 -0.574 + 8560TIP3 H231990 -0.921 -3.331 -0.479 + 8561TIP3 OH231991 -1.442 -3.995 -0.431 + 8561TIP3 H131992 -1.498 -4.003 -0.350 + 8561TIP3 H231993 -1.493 -4.055 -0.490 + 8562TIP3 OH231994 -1.881 -3.704 0.112 + 8562TIP3 H131995 -1.976 -3.718 0.099 + 8562TIP3 H231996 -1.846 -3.730 0.025 + 8563TIP3 OH231997 -1.323 -3.653 -0.013 + 8563TIP3 H131998 -1.363 -3.569 -0.044 + 8563TIP3 H231999 -1.254 -3.666 -0.080 + 8564TIP3 OH232000 -1.408 -3.630 1.128 + 8564TIP3 H132001 -1.456 -3.709 1.157 + 8564TIP3 H232002 -1.319 -3.644 1.166 + 8565TIP3 OH232003 -1.234 -3.712 0.268 + 8565TIP3 H132004 -1.265 -3.652 0.197 + 8565TIP3 H232005 -1.214 -3.791 0.214 + 8566TIP3 OH232006 -1.804 -3.947 -0.535 + 8566TIP3 H132007 -1.840 -3.980 -0.451 + 8566TIP3 H232008 -1.883 -3.926 -0.586 + 8567TIP3 OH232009 -2.460 -3.969 0.177 + 8567TIP3 H132010 -2.398 -3.949 0.249 + 8567TIP3 H232011 -2.402 -3.989 0.103 + 8568TIP3 OH232012 -2.301 -3.912 -0.258 + 8568TIP3 H132013 -2.246 -3.861 -0.321 + 8568TIP3 H232014 -2.371 -3.846 -0.240 + 8569TIP3 OH232015 -1.334 -3.543 0.714 + 8569TIP3 H132016 -1.286 -3.613 0.663 + 8569TIP3 H232017 -1.360 -3.591 0.794 + 8570TIP3 OH232018 -1.628 -3.953 0.213 + 8570TIP3 H132019 -1.722 -3.950 0.241 + 8570TIP3 H232020 -1.583 -3.965 0.299 + 8571TIP3 OH232021 -2.151 -3.826 0.084 + 8571TIP3 H132022 -2.230 -3.794 0.037 + 8571TIP3 H232023 -2.122 -3.904 0.033 + 8572TIP3 OH232024 -1.785 -3.795 -0.152 + 8572TIP3 H132025 -1.689 -3.782 -0.146 + 8572TIP3 H232026 -1.811 -3.733 -0.222 + 8573TIP3 OH232027 -1.171 -4.035 0.515 + 8573TIP3 H132028 -1.235 -4.035 0.589 + 8573TIP3 H232029 -1.229 -4.062 0.442 + 8574TIP3 OH232030 -1.939 -3.674 -0.374 + 8574TIP3 H132031 -1.996 -3.695 -0.450 + 8574TIP3 H232032 -1.858 -3.647 -0.420 + 8575TIP3 OH232033 -0.862 -2.460 1.181 + 8575TIP3 H132034 -0.848 -2.409 1.099 + 8575TIP3 H232035 -0.794 -2.422 1.239 + 8576TIP3 OH232036 -2.072 -3.198 1.123 + 8576TIP3 H132037 -2.006 -3.183 1.193 + 8576TIP3 H232038 -2.154 -3.197 1.176 + 8577TIP3 OH232039 -1.504 -3.697 0.395 + 8577TIP3 H132040 -1.427 -3.740 0.355 + 8577TIP3 H232041 -1.525 -3.756 0.469 + 8578TIP3 OH232042 -1.988 -4.061 0.022 + 8578TIP3 H132043 -2.028 -4.148 0.034 + 8578TIP3 H232044 -1.902 -4.083 -0.016 + 8579TIP3 OH232045 -1.641 -3.837 0.634 + 8579TIP3 H132046 -1.719 -3.780 0.628 + 8579TIP3 H232047 -1.591 -3.799 0.710 + 8580TIP3 OH232048 -1.593 -3.209 -0.190 + 8580TIP3 H132049 -1.671 -3.257 -0.225 + 8580TIP3 H232050 -1.612 -3.203 -0.094 + 8581TIP3 OH232051 -0.870 -3.295 0.684 + 8581TIP3 H132052 -0.820 -3.239 0.621 + 8581TIP3 H232053 -0.955 -3.305 0.638 + 8582TIP3 OH232054 -1.174 -3.932 -0.427 + 8582TIP3 H132055 -1.273 -3.937 -0.425 + 8582TIP3 H232056 -1.155 -3.862 -0.361 + 8583TIP3 OH232057 -1.432 -3.211 0.945 + 8583TIP3 H132058 -1.457 -3.234 1.036 + 8583TIP3 H232059 -1.456 -3.118 0.939 + 8584TIP3 OH232060 -1.110 -3.750 -0.214 + 8584TIP3 H132061 -1.023 -3.761 -0.170 + 8584TIP3 H232062 -1.103 -3.658 -0.249 + 8585TIP3 OH232063 -2.068 -3.287 0.403 + 8585TIP3 H132064 -2.017 -3.288 0.320 + 8585TIP3 H232065 -2.056 -3.378 0.433 + 8586TIP3 OH232066 -1.352 -3.070 -0.293 + 8586TIP3 H132067 -1.377 -2.980 -0.263 + 8586TIP3 H232068 -1.431 -3.121 -0.268 + 8587TIP3 OH232069 -2.363 -3.441 0.927 + 8587TIP3 H132070 -2.337 -3.497 1.002 + 8587TIP3 H232071 -2.411 -3.502 0.869 + 8588TIP3 OH232072 -1.695 -3.541 1.086 + 8588TIP3 H132073 -1.692 -3.514 0.991 + 8588TIP3 H232074 -1.599 -3.536 1.103 + 8589TIP3 OH232075 -1.203 -2.963 0.896 + 8589TIP3 H132076 -1.297 -2.941 0.883 + 8589TIP3 H232077 -1.184 -2.921 0.981 + 8590TIP3 OH232078 -0.648 -3.745 -0.233 + 8590TIP3 H132079 -0.705 -3.762 -0.310 + 8590TIP3 H232080 -0.637 -3.648 -0.245 + 8591TIP3 OH232081 -0.604 -3.144 1.048 + 8591TIP3 H132082 -0.697 -3.119 1.028 + 8591TIP3 H232083 -0.569 -3.158 0.957 + 8592TIP3 OH232084 -1.106 -3.353 0.519 + 8592TIP3 H132085 -1.198 -3.365 0.490 + 8592TIP3 H232086 -1.061 -3.421 0.465 + 8593TIP3 OH232087 -1.841 -2.937 0.120 + 8593TIP3 H132088 -1.793 -2.854 0.104 + 8593TIP3 H232089 -1.930 -2.913 0.090 + 8594TIP3 OH232090 -2.241 -3.463 -0.419 + 8594TIP3 H132091 -2.182 -3.395 -0.380 + 8594TIP3 H232092 -2.328 -3.432 -0.389 + 8595TIP3 OH232093 -1.659 -3.174 0.081 + 8595TIP3 H132094 -1.681 -3.081 0.095 + 8595TIP3 H232095 -1.732 -3.219 0.126 + 8596TIP3 OH232096 -1.640 -2.747 0.718 + 8596TIP3 H132097 -1.589 -2.671 0.683 + 8596TIP3 H232098 -1.572 -2.793 0.769 + 8597TIP3 OH232099 -1.793 -2.643 0.032 + 8597TIP3 H132100 -1.889 -2.628 0.042 + 8597TIP3 H232101 -1.755 -2.565 0.075 + 8598TIP3 OH232102 -1.299 -3.173 0.673 + 8598TIP3 H132103 -1.327 -3.200 0.762 + 8598TIP3 H232104 -1.225 -3.233 0.654 + 8599TIP3 OH232105 -1.082 -3.025 -0.440 + 8599TIP3 H132106 -1.035 -3.068 -0.367 + 8599TIP3 H232107 -1.173 -3.040 -0.410 + 8600TIP3 OH232108 -1.006 -2.715 0.911 + 8600TIP3 H132109 -1.081 -2.754 0.864 + 8600TIP3 H232110 -0.991 -2.634 0.859 + 8601TIP3 OH232111 -0.989 -3.179 -0.201 + 8601TIP3 H132112 -1.008 -3.250 -0.138 + 8601TIP3 H232113 -0.893 -3.168 -0.193 + 8602TIP3 OH232114 -2.249 -2.802 0.722 + 8602TIP3 H132115 -2.213 -2.891 0.736 + 8602TIP3 H232116 -2.219 -2.758 0.803 + 8603TIP3 OH232117 -1.655 -2.930 -0.595 + 8603TIP3 H132118 -1.624 -3.017 -0.625 + 8603TIP3 H232119 -1.699 -2.951 -0.511 + 8604TIP3 OH232120 -1.779 -2.975 -0.295 + 8604TIP3 H132121 -1.719 -3.025 -0.238 + 8604TIP3 H232122 -1.753 -2.882 -0.276 + 8605TIP3 OH232123 -2.092 -3.242 -0.267 + 8605TIP3 H132124 -2.163 -3.201 -0.213 + 8605TIP3 H232125 -2.044 -3.162 -0.296 + 8606TIP3 OH232126 -1.334 -4.006 0.744 + 8606TIP3 H132127 -1.266 -3.981 0.809 + 8606TIP3 H232128 -1.367 -4.091 0.777 + 8607TIP3 OH232129 -1.248 -4.058 -0.141 + 8607TIP3 H132130 -1.245 -3.998 -0.217 + 8607TIP3 H232131 -1.215 -4.001 -0.070 + 8608TIP3 OH232132 -1.481 -2.813 -0.240 + 8608TIP3 H132133 -1.559 -2.755 -0.234 + 8608TIP3 H232134 -1.434 -2.771 -0.314 + 8609TIP3 OH232135 -1.514 -3.858 -0.037 + 8609TIP3 H132136 -1.445 -3.790 -0.025 + 8609TIP3 H232137 -1.551 -3.865 0.053 + 8610TIP3 OH232138 -1.496 -3.763 0.874 + 8610TIP3 H132139 -1.472 -3.709 0.951 + 8610TIP3 H232140 -1.429 -3.833 0.875 + 8611TIP3 OH232141 -1.449 -4.171 0.059 + 8611TIP3 H132142 -1.481 -4.095 0.110 + 8611TIP3 H232143 -1.392 -4.127 -0.007 + 8612TIP3 OH232144 -1.748 -2.691 -0.260 + 8612TIP3 H132145 -1.747 -2.606 -0.307 + 8612TIP3 H232146 -1.773 -2.663 -0.170 + 8613TIP3 OH232147 -1.893 -4.050 -0.286 + 8613TIP3 H132148 -1.888 -3.966 -0.237 + 8613TIP3 H232149 -1.805 -4.087 -0.265 + 8614TIP3 OH232150 -0.846 -3.963 0.953 + 8614TIP3 H132151 -0.943 -3.952 0.943 + 8614TIP3 H232152 -0.824 -3.988 0.862 + 8615TIP3 OH232153 -1.004 -3.574 0.364 + 8615TIP3 H132154 -1.086 -3.618 0.335 + 8615TIP3 H232155 -0.955 -3.646 0.409 + 8616TIP3 OH232156 -2.052 -2.967 -0.390 + 8616TIP3 H132157 -1.984 -2.909 -0.350 + 8616TIP3 H232158 -1.997 -3.011 -0.456 + 8617TIP3 OH232159 -2.235 -3.746 -0.479 + 8617TIP3 H132160 -2.219 -3.652 -0.457 + 8617TIP3 H232161 -2.321 -3.741 -0.521 + 8618TIP3 OH232162 -0.900 -2.685 0.506 + 8618TIP3 H132163 -0.919 -2.609 0.448 + 8618TIP3 H232164 -0.805 -2.669 0.523 + 8619TIP3 OH232165 -2.218 -4.248 0.410 + 8619TIP3 H132166 -2.177 -4.242 0.323 + 8619TIP3 H232167 -2.196 -4.337 0.438 + 8620TIP3 OH232168 -2.257 -2.891 0.022 + 8620TIP3 H132169 -2.328 -2.833 0.050 + 8620TIP3 H232170 -2.210 -2.834 -0.041 + 8621TIP3 OH232171 -2.311 -2.599 1.144 + 8621TIP3 H132172 -2.254 -2.627 1.218 + 8621TIP3 H232173 -2.349 -2.683 1.113 + 8622TIP3 OH232174 -1.814 -2.692 1.341 + 8622TIP3 H132175 -1.763 -2.775 1.337 + 8622TIP3 H232176 -1.855 -2.696 1.253 + 8623TIP3 OH232177 -1.425 -2.776 -0.508 + 8623TIP3 H132178 -1.505 -2.818 -0.546 + 8623TIP3 H232179 -1.358 -2.795 -0.575 + 8624TIP3 OH232180 -1.205 -2.853 1.190 + 8624TIP3 H132181 -1.237 -2.940 1.219 + 8624TIP3 H232182 -1.127 -2.839 1.246 + 8625TIP3 OH232183 -2.316 -3.236 1.256 + 8625TIP3 H132184 -2.304 -3.323 1.215 + 8625TIP3 H232185 -2.392 -3.203 1.204 + 8626TIP3 OH232186 -1.895 -3.195 -0.544 + 8626TIP3 H132187 -1.876 -3.252 -0.467 + 8626TIP3 H232188 -1.808 -3.191 -0.586 + 8627TIP3 OH232189 -1.660 -3.221 1.190 + 8627TIP3 H132190 -1.684 -3.180 1.105 + 8627TIP3 H232191 -1.648 -3.314 1.166 + 8628TIP3 OH232192 -1.369 -3.061 -0.591 + 8628TIP3 H132193 -1.376 -3.052 -0.494 + 8628TIP3 H232194 -1.375 -3.158 -0.601 + 8629TIP3 OH232195 -1.116 -3.252 0.929 + 8629TIP3 H132196 -1.037 -3.202 0.907 + 8629TIP3 H232197 -1.183 -3.182 0.924 + 8630TIP3 OH232198 -2.208 -3.526 1.173 + 8630TIP3 H132199 -2.198 -3.621 1.181 + 8630TIP3 H232200 -2.228 -3.500 1.264 + 8631TIP3 OH232201 -1.788 -3.385 -0.311 + 8631TIP3 H132202 -1.846 -3.437 -0.254 + 8631TIP3 H232203 -1.756 -3.454 -0.374 + 8632TIP3 OH232204 -1.692 -3.585 -0.485 + 8632TIP3 H132205 -1.695 -3.573 -0.581 + 8632TIP3 H232206 -1.595 -3.586 -0.469 + 8633TIP3 OH232207 -1.334 -3.337 1.273 + 8633TIP3 H132208 -1.245 -3.352 1.238 + 8633TIP3 H232209 -1.354 -3.424 1.310 + 8634TIP3 OH232210 -0.743 -3.328 -0.554 + 8634TIP3 H132211 -0.752 -3.362 -0.644 + 8634TIP3 H232212 -0.746 -3.232 -0.569 + 8635TIP3 OH232213 -1.773 -4.032 0.801 + 8635TIP3 H132214 -1.719 -3.977 0.741 + 8635TIP3 H232215 -1.863 -4.006 0.770 + 8636TIP3 OH232216 -1.620 -3.488 0.826 + 8636TIP3 H132217 -1.542 -3.499 0.770 + 8636TIP3 H232218 -1.661 -3.409 0.785 + 8637TIP3 OH232219 -1.161 -3.693 1.295 + 8637TIP3 H132220 -1.137 -3.786 1.304 + 8637TIP3 H232221 -1.074 -3.651 1.286 + 8638TIP3 OH232222 -1.062 -3.416 1.141 + 8638TIP3 H132223 -1.096 -3.353 1.073 + 8638TIP3 H232224 -0.971 -3.428 1.107 + 8639TIP3 OH232225 -1.696 -4.293 0.869 + 8639TIP3 H132226 -1.718 -4.198 0.853 + 8639TIP3 H232227 -1.773 -4.336 0.828 + 8640TIP3 OH232228 -1.593 -3.843 1.176 + 8640TIP3 H132229 -1.609 -3.871 1.268 + 8640TIP3 H232230 -1.651 -3.906 1.130 + 8641TIP3 OH232231 -1.311 -3.940 1.091 + 8641TIP3 H132232 -1.404 -3.936 1.120 + 8641TIP3 H232233 -1.275 -4.009 1.149 + 8642TIP3 OH232234 -1.143 -4.136 1.251 + 8642TIP3 H132235 -1.154 -4.224 1.290 + 8642TIP3 H232236 -1.154 -4.077 1.328 + 8643TIP3 OH232237 -2.075 -3.942 1.176 + 8643TIP3 H132238 -2.115 -4.008 1.116 + 8643TIP3 H232239 -2.125 -3.961 1.257 + 8644TIP3 OH232240 -1.614 -4.140 1.289 + 8644TIP3 H132241 -1.626 -4.228 1.249 + 8644TIP3 H232242 -1.705 -4.113 1.306 + 8645TIP3 OH232243 -2.324 -3.020 -0.422 + 8645TIP3 H132244 -2.228 -3.001 -0.406 + 8645TIP3 H232245 -2.320 -3.099 -0.479 + 8646TIP3 OH232246 -2.417 -2.499 0.057 + 8646TIP3 H132247 -2.488 -2.536 0.002 + 8646TIP3 H232248 -2.405 -2.568 0.125 + 8647TIP3 OH232249 -2.386 -2.701 0.252 + 8647TIP3 H132250 -2.413 -2.788 0.286 + 8647TIP3 H232251 -2.347 -2.663 0.333 + 8648TIP3 OH232252 -0.623 -2.592 0.553 + 8648TIP3 H132253 -0.619 -2.564 0.646 + 8648TIP3 H232254 -0.555 -2.534 0.516 + 8649TIP3 OH232255 -0.645 -2.626 0.848 + 8649TIP3 H132256 -0.689 -2.698 0.801 + 8649TIP3 H232257 -0.585 -2.675 0.906 + 8650TIP3 OH232258 -0.841 -3.085 1.272 + 8650TIP3 H132259 -0.930 -3.074 1.310 + 8650TIP3 H232260 -0.796 -3.003 1.296 + 8651TIP3 OH232261 -0.697 -3.207 -0.163 + 8651TIP3 H132262 -0.612 -3.162 -0.147 + 8651TIP3 H232263 -0.705 -3.261 -0.083 + 8652TIP3 OH232264 -0.653 -3.401 0.041 + 8652TIP3 H132265 -0.721 -3.457 0.085 + 8652TIP3 H232266 -0.586 -3.387 0.110 + 8653TIP3 OH232267 -0.681 -3.150 0.540 + 8653TIP3 H132268 -0.620 -3.195 0.480 + 8653TIP3 H232269 -0.672 -3.057 0.510 + 8654TIP3 OH232270 -0.811 -2.864 0.765 + 8654TIP3 H132271 -0.882 -2.814 0.809 + 8654TIP3 H232272 -0.855 -2.891 0.682 + 8655TIP3 OH232273 -0.630 -3.454 -0.303 + 8655TIP3 H132274 -0.680 -3.423 -0.381 + 8655TIP3 H232275 -0.644 -3.378 -0.243 + 8656TIP3 OH232276 -0.801 -3.701 -0.476 + 8656TIP3 H132277 -0.776 -3.635 -0.543 + 8656TIP3 H232278 -0.825 -3.778 -0.530 + 8657TIP3 OH232279 -0.858 -3.585 0.123 + 8657TIP3 H132280 -0.870 -3.680 0.104 + 8657TIP3 H232281 -0.899 -3.576 0.211 + 8658TIP3 OH232282 -2.373 -3.363 0.495 + 8658TIP3 H132283 -2.345 -3.363 0.401 + 8658TIP3 H232284 -2.289 -3.388 0.539 + 8659TIP3 OH232285 -0.801 -3.393 1.038 + 8659TIP3 H132286 -0.725 -3.452 1.052 + 8659TIP3 H232287 -0.759 -3.309 1.014 + 8660TIP3 OH232288 -0.645 -3.585 1.160 + 8660TIP3 H132289 -0.724 -3.637 1.135 + 8660TIP3 H232290 -0.575 -3.652 1.156 + 8661TIP3 OH232291 -0.859 -3.972 -0.563 + 8661TIP3 H132292 -0.800 -4.012 -0.496 + 8661TIP3 H232293 -0.942 -4.018 -0.548 + 8662TIP3 OH232294 -0.878 -3.827 -0.058 + 8662TIP3 H132295 -0.860 -3.924 -0.054 + 8662TIP3 H232296 -0.797 -3.795 -0.101 + 8663TIP3 OH232297 -0.853 -3.776 0.479 + 8663TIP3 H132298 -0.755 -3.767 0.476 + 8663TIP3 H232299 -0.866 -3.774 0.576 + 8664TIP3 OH232300 -0.838 -3.705 0.767 + 8664TIP3 H132301 -0.922 -3.661 0.790 + 8664TIP3 H232302 -0.782 -3.628 0.743 + 8665TIP3 OH232303 -2.377 -3.838 1.146 + 8665TIP3 H132304 -2.289 -3.869 1.122 + 8665TIP3 H232305 -2.429 -3.920 1.134 + 8666TIP3 OH232306 -0.621 -4.276 1.343 + 8666TIP3 H132307 -0.569 -4.355 1.320 + 8666TIP3 H232308 -0.619 -4.218 1.263 + 8667TIP3 OH232309 -0.847 -4.099 -0.052 + 8667TIP3 H132310 -0.824 -4.148 0.028 + 8667TIP3 H232311 -0.910 -4.160 -0.095 + 8668TIP3 OH232312 -2.280 -3.978 0.416 + 8668TIP3 H132313 -2.259 -4.073 0.424 + 8668TIP3 H232314 -2.220 -3.941 0.483 + 8669TIP3 OH232315 -2.458 -3.718 0.499 + 8669TIP3 H132316 -2.385 -3.740 0.440 + 8669TIP3 H232317 -2.415 -3.657 0.559 + 8670TIP3 OH232318 -0.642 -4.112 1.127 + 8670TIP3 H132319 -0.728 -4.064 1.133 + 8670TIP3 H232320 -0.650 -4.146 1.036 + 8671TIP3 OH232321 -0.636 -4.058 -0.391 + 8671TIP3 H132322 -0.615 -4.142 -0.436 + 8671TIP3 H232323 -0.551 -4.013 -0.387 + 8672TIP3 OH232324 -2.400 -4.106 -0.084 + 8672TIP3 H132325 -2.495 -4.092 -0.098 + 8672TIP3 H232326 -2.360 -4.034 -0.138 + 8673TIP3 OH232327 -0.857 -2.564 0.061 + 8673TIP3 H132328 -0.888 -2.654 0.059 + 8673TIP3 H232329 -0.894 -2.528 0.143 + 8674TIP3 OH232330 -2.459 -4.142 0.777 + 8674TIP3 H132331 -2.409 -4.221 0.803 + 8674TIP3 H232332 -2.434 -4.134 0.684 + 8675TIP3 OH232333 -2.201 -2.903 1.208 + 8675TIP3 H132334 -2.269 -2.900 1.140 + 8675TIP3 H232335 -2.253 -2.896 1.289 + 8676TIP3 OH232336 -1.917 -2.795 0.775 + 8676TIP3 H132337 -1.947 -2.711 0.735 + 8676TIP3 H232338 -1.822 -2.787 0.754 + 8677TIP3 OH232339 -1.468 -2.664 1.080 + 8677TIP3 H132340 -1.440 -2.687 1.170 + 8677TIP3 H232341 -1.385 -2.624 1.046 + 8678TIP3 OH232342 -1.237 -2.539 1.006 + 8678TIP3 H132343 -1.160 -2.591 0.978 + 8678TIP3 H232344 -1.202 -2.494 1.086 + 8679TIP3 OH232345 -0.780 -4.278 0.917 + 8679TIP3 H132346 -0.828 -4.213 0.862 + 8679TIP3 H232347 -0.763 -4.346 0.850 + 8680TIP3 OH232348 -2.183 -2.506 0.808 + 8680TIP3 H132349 -2.238 -2.441 0.760 + 8680TIP3 H232350 -2.213 -2.490 0.898 + 8681TIP3 OH232351 -1.933 -2.528 0.656 + 8681TIP3 H132352 -2.015 -2.502 0.701 + 8681TIP3 H232353 -1.924 -2.459 0.588 + 8682TIP3 OH232354 -1.466 -2.529 0.613 + 8682TIP3 H132355 -1.493 -2.480 0.532 + 8682TIP3 H232356 -1.452 -2.455 0.675 + 8683TIP3 OH232357 -1.226 -2.654 0.708 + 8683TIP3 H132358 -1.309 -2.616 0.674 + 8683TIP3 H232359 -1.168 -2.577 0.705 + 8684TIP3 OH232360 -0.969 -2.483 0.727 + 8684TIP3 H132361 -0.977 -2.388 0.707 + 8684TIP3 H232362 -0.942 -2.517 0.639 + 8685TIP3 OH232363 -2.225 -2.626 0.497 + 8685TIP3 H132364 -2.222 -2.671 0.584 + 8685TIP3 H232365 -2.145 -2.664 0.455 + 8686TIP3 OH232366 -2.022 -2.747 0.346 + 8686TIP3 H132367 -2.032 -2.841 0.370 + 8686TIP3 H232368 -1.929 -2.729 0.373 + 8687TIP3 OH232369 -1.754 -2.706 0.431 + 8687TIP3 H132370 -1.723 -2.796 0.411 + 8687TIP3 H232371 -1.738 -2.702 0.526 + 8688TIP3 OH232372 -1.414 -4.109 0.362 + 8688TIP3 H132373 -1.480 -4.176 0.386 + 8688TIP3 H232374 -1.357 -4.158 0.300 + 8689TIP3 OH232375 -0.888 -4.333 0.404 + 8689TIP3 H132376 -0.826 -4.289 0.343 + 8689TIP3 H232377 -0.973 -4.301 0.373 + 8690TIP3 OH232378 -0.691 -4.225 0.188 + 8690TIP3 H132379 -0.635 -4.244 0.112 + 8690TIP3 H232380 -0.672 -4.130 0.203 + 8691TIP3 OH232381 -2.179 -4.284 0.093 + 8691TIP3 H132382 -2.271 -4.296 0.067 + 8691TIP3 H232383 -2.153 -4.372 0.120 + 8692TIP3 OH232384 -2.321 -4.291 -0.283 + 8692TIP3 H132385 -2.274 -4.243 -0.354 + 8692TIP3 H232386 -2.356 -4.216 -0.231 + 8693TIP3 OH232387 -1.735 -4.261 0.119 + 8693TIP3 H132388 -1.646 -4.231 0.097 + 8693TIP3 H232389 -1.726 -4.283 0.212 + 8694TIP3 OH232390 -1.176 -4.265 0.255 + 8694TIP3 H132391 -1.140 -4.258 0.166 + 8694TIP3 H232392 -1.185 -4.360 0.269 + 8695TIP3 OH232393 -1.064 -4.273 -0.146 + 8695TIP3 H132394 -1.138 -4.211 -0.167 + 8695TIP3 H232395 -1.106 -4.359 -0.155 + 8696TIP3 OH232396 -2.276 -2.689 -0.170 + 8696TIP3 H132397 -2.332 -2.691 -0.249 + 8696TIP3 H232398 -2.264 -2.594 -0.158 + 8697TIP3 OH232399 -2.129 -4.129 -0.438 + 8697TIP3 H132400 -2.057 -4.160 -0.497 + 8697TIP3 H232401 -2.077 -4.075 -0.375 + 8698TIP3 OH232402 -1.606 -4.063 -0.209 + 8698TIP3 H132403 -1.598 -4.142 -0.154 + 8698TIP3 H232404 -1.587 -3.990 -0.147 + 8699TIP3 OH232405 -2.235 -4.161 1.074 + 8699TIP3 H132406 -2.288 -4.240 1.087 + 8699TIP3 H232407 -2.157 -4.202 1.033 + 8700TIP3 OH232408 -1.926 -4.287 1.300 + 8700TIP3 H132409 -1.843 -4.320 1.260 + 8700TIP3 H232410 -1.965 -4.367 1.337 + 8701TIP3 OH232411 -0.814 -2.737 1.136 + 8701TIP3 H132412 -0.883 -2.752 1.069 + 8701TIP3 H232413 -0.824 -2.641 1.150 + 8702TIP3 OH232414 0.611 -3.368 0.142 + 8702TIP3 H132415 0.607 -3.272 0.152 + 8702TIP3 H232416 0.536 -3.385 0.083 + 8703TIP3 OH232417 0.498 -3.422 0.451 + 8703TIP3 H132418 0.495 -3.480 0.528 + 8703TIP3 H232419 0.472 -3.483 0.380 + 8704TIP3 OH232420 -0.256 -3.464 0.618 + 8704TIP3 H132421 -0.257 -3.538 0.682 + 8704TIP3 H232422 -0.184 -3.410 0.653 + 8705TIP3 OH232423 0.869 -3.145 0.286 + 8705TIP3 H132424 0.829 -3.216 0.339 + 8705TIP3 H232425 0.890 -3.079 0.352 + 8706TIP3 OH232426 -0.189 -2.999 0.469 + 8706TIP3 H132427 -0.215 -3.090 0.443 + 8706TIP3 H232428 -0.096 -3.013 0.491 + 8707TIP3 OH232429 -0.493 -3.663 0.009 + 8707TIP3 H132430 -0.528 -3.573 0.016 + 8707TIP3 H232431 -0.566 -3.708 -0.036 + 8708TIP3 OH232432 -0.410 -3.414 0.195 + 8708TIP3 H132433 -0.394 -3.498 0.242 + 8708TIP3 H232434 -0.328 -3.405 0.144 + 8709TIP3 OH232435 0.571 -2.616 0.337 + 8709TIP3 H132436 0.631 -2.690 0.318 + 8709TIP3 H232437 0.542 -2.635 0.427 + 8710TIP3 OH232438 0.345 -3.171 0.508 + 8710TIP3 H132439 0.376 -3.243 0.450 + 8710TIP3 H232440 0.426 -3.158 0.560 + 8711TIP3 OH232441 1.201 -4.018 0.566 + 8711TIP3 H132442 1.235 -3.971 0.644 + 8711TIP3 H232443 1.264 -3.988 0.498 + 8712TIP3 OH232444 0.673 -3.740 0.557 + 8712TIP3 H132445 0.690 -3.836 0.554 + 8712TIP3 H232446 0.660 -3.721 0.463 + 8713TIP3 OH232447 -0.012 -3.943 0.273 + 8713TIP3 H132448 0.031 -3.865 0.232 + 8713TIP3 H232449 -0.038 -3.991 0.192 + 8714TIP3 OH232450 0.764 -3.924 0.111 + 8714TIP3 H132451 0.834 -3.960 0.168 + 8714TIP3 H232452 0.815 -3.881 0.041 + 8715TIP3 OH232453 -0.360 -3.666 0.318 + 8715TIP3 H132454 -0.294 -3.713 0.373 + 8715TIP3 H232455 -0.350 -3.712 0.233 + 8716TIP3 OH232456 0.177 -3.525 0.265 + 8716TIP3 H132457 0.250 -3.580 0.299 + 8716TIP3 H232458 0.129 -3.590 0.210 + 8717TIP3 OH232459 1.294 -3.849 0.828 + 8717TIP3 H132460 1.219 -3.797 0.796 + 8717TIP3 H232461 1.257 -3.889 0.908 + 8718TIP3 OH232462 -0.150 -4.055 0.683 + 8718TIP3 H132463 -0.179 -3.999 0.609 + 8718TIP3 H232464 -0.218 -4.032 0.750 + 8719TIP3 OH232465 0.603 -3.081 0.024 + 8719TIP3 H132466 0.571 -3.108 -0.062 + 8719TIP3 H232467 0.556 -2.997 0.039 + 8720TIP3 OH232468 0.146 -3.269 0.696 + 8720TIP3 H132469 0.072 -3.210 0.721 + 8720TIP3 H232470 0.207 -3.208 0.651 + 8721TIP3 OH232471 0.952 -4.023 0.310 + 8721TIP3 H132472 0.892 -4.051 0.380 + 8721TIP3 H232473 1.001 -3.952 0.355 + 8722TIP3 OH232474 -0.177 -3.863 0.471 + 8722TIP3 H132475 -0.115 -3.800 0.514 + 8722TIP3 H232476 -0.119 -3.894 0.397 + 8723TIP3 OH232477 -0.056 -3.082 0.768 + 8723TIP3 H132478 -0.059 -2.990 0.736 + 8723TIP3 H232479 -0.143 -3.086 0.812 + 8724TIP3 OH232480 -0.424 -3.110 -0.146 + 8724TIP3 H132481 -0.445 -3.066 -0.230 + 8724TIP3 H232482 -0.410 -3.036 -0.084 + 8725TIP3 OH232483 0.928 -2.927 0.509 + 8725TIP3 H132484 0.832 -2.947 0.515 + 8725TIP3 H232485 0.924 -2.833 0.521 + 8726TIP3 OH232486 0.961 -4.112 0.704 + 8726TIP3 H132487 0.882 -4.076 0.662 + 8726TIP3 H232488 1.029 -4.095 0.635 + 8727TIP3 OH232489 0.272 4.358 0.399 + 8727TIP3 H132490 0.249 4.275 0.443 + 8727TIP3 H232491 0.201 4.417 0.433 + 8728TIP3 OH232492 0.765 -2.777 0.210 + 8728TIP3 H132493 0.796 -2.855 0.160 + 8728TIP3 H232494 0.807 -2.705 0.161 + 8729TIP3 OH232495 0.896 -2.987 0.054 + 8729TIP3 H132496 0.848 -3.034 -0.016 + 8729TIP3 H232497 0.889 -3.052 0.126 + 8730TIP3 OH232498 1.051 -3.102 0.900 + 8730TIP3 H132499 1.039 -3.168 0.829 + 8730TIP3 H232500 1.067 -3.020 0.850 + 8731TIP3 OH232501 0.477 -3.419 -0.123 + 8731TIP3 H132502 0.412 -3.357 -0.162 + 8731TIP3 H232503 0.549 -3.417 -0.187 + 8732TIP3 OH232504 0.503 -3.595 -0.426 + 8732TIP3 H132505 0.572 -3.564 -0.364 + 8732TIP3 H232506 0.557 -3.651 -0.484 + 8733TIP3 OH232507 1.225 -3.488 0.694 + 8733TIP3 H132508 1.153 -3.423 0.703 + 8733TIP3 H232509 1.273 -3.454 0.616 + 8734TIP3 OH232510 0.829 -3.412 -0.023 + 8734TIP3 H132511 0.758 -3.393 0.043 + 8734TIP3 H232512 0.885 -3.472 0.030 + 8735TIP3 OH232513 0.812 -3.562 0.862 + 8735TIP3 H132514 0.816 -3.480 0.913 + 8735TIP3 H232515 0.745 -3.534 0.796 + 8736TIP3 OH232516 -0.013 -3.337 0.156 + 8736TIP3 H132517 -0.045 -3.379 0.073 + 8736TIP3 H232518 0.050 -3.403 0.188 + 8737TIP3 OH232519 0.124 -2.996 0.428 + 8737TIP3 H132520 0.111 -3.037 0.342 + 8737TIP3 H232521 0.203 -3.044 0.461 + 8738TIP3 OH232522 0.046 -3.460 0.507 + 8738TIP3 H132523 0.100 -3.457 0.426 + 8738TIP3 H232524 0.086 -3.389 0.562 + 8739TIP3 OH232525 0.657 -2.908 0.564 + 8739TIP3 H132526 0.639 -2.838 0.629 + 8739TIP3 H232527 0.620 -2.988 0.608 + 8740TIP3 OH232528 0.128 -3.027 0.990 + 8740TIP3 H132529 0.078 -2.957 1.036 + 8740TIP3 H232530 0.065 -3.051 0.919 + 8741TIP3 OH232531 0.723 -3.470 -0.277 + 8741TIP3 H132532 0.770 -3.444 -0.195 + 8741TIP3 H232533 0.772 -3.419 -0.345 + 8742TIP3 OH232534 -0.176 -3.388 0.903 + 8742TIP3 H132535 -0.171 -3.326 0.978 + 8742TIP3 H232536 -0.272 -3.396 0.891 + 8743TIP3 OH232537 0.476 -2.813 0.083 + 8743TIP3 H132538 0.519 -2.781 0.163 + 8743TIP3 H232539 0.416 -2.742 0.059 + 8744TIP3 OH232540 -0.059 -2.809 1.069 + 8744TIP3 H132541 -0.071 -2.801 0.972 + 8744TIP3 H232542 -0.148 -2.832 1.100 + 8745TIP3 OH232543 1.048 -4.331 -0.352 + 8745TIP3 H132544 0.990 -4.320 -0.275 + 8745TIP3 H232545 1.119 -4.268 -0.331 + 8746TIP3 OH232546 -0.123 -3.459 -0.091 + 8746TIP3 H132547 -0.143 -3.382 -0.149 + 8746TIP3 H232548 -0.188 -3.524 -0.122 + 8747TIP3 OH232549 1.203 -2.877 -0.466 + 8747TIP3 H132550 1.222 -2.782 -0.453 + 8747TIP3 H232551 1.291 -2.917 -0.449 + 8748TIP3 OH232552 -0.514 -3.196 0.782 + 8748TIP3 H132553 -0.559 -3.193 0.695 + 8748TIP3 H232554 -0.503 -3.292 0.796 + 8749TIP3 OH232555 -0.510 -2.905 0.474 + 8749TIP3 H132556 -0.417 -2.928 0.482 + 8749TIP3 H232557 -0.520 -2.837 0.542 + 8750TIP3 OH232558 1.328 -2.840 1.050 + 8750TIP3 H132559 1.317 -2.935 1.033 + 8750TIP3 H232560 1.237 -2.815 1.077 + 8751TIP3 OH232561 0.394 -2.920 0.932 + 8751TIP3 H132562 0.402 -2.837 0.984 + 8751TIP3 H232563 0.304 -2.948 0.955 + 8752TIP3 OH232564 -0.195 -2.622 0.094 + 8752TIP3 H132565 -0.188 -2.669 0.180 + 8752TIP3 H232566 -0.278 -2.659 0.061 + 8753TIP3 OH232567 0.754 -2.595 -0.309 + 8753TIP3 H132568 0.811 -2.640 -0.375 + 8753TIP3 H232569 0.752 -2.662 -0.241 + 8754TIP3 OH232570 1.008 -3.709 1.091 + 8754TIP3 H132571 0.957 -3.668 1.020 + 8754TIP3 H232572 1.015 -3.801 1.061 + 8755TIP3 OH232573 -0.296 -3.041 0.905 + 8755TIP3 H132574 -0.270 -3.088 0.987 + 8755TIP3 H232575 -0.370 -3.095 0.872 + 8756TIP3 OH232576 0.029 -4.220 0.494 + 8756TIP3 H132577 -0.056 -4.246 0.457 + 8756TIP3 H232578 0.007 -4.133 0.532 + 8757TIP3 OH232579 0.479 -4.266 0.852 + 8757TIP3 H132580 0.500 -4.309 0.936 + 8757TIP3 H232581 0.383 -4.275 0.848 + 8758TIP3 OH232582 0.779 -3.864 0.897 + 8758TIP3 H132583 0.719 -3.874 0.974 + 8758TIP3 H232584 0.773 -3.768 0.878 + 8759TIP3 OH232585 0.879 -3.360 -0.475 + 8759TIP3 H132586 0.857 -3.378 -0.568 + 8759TIP3 H232587 0.973 -3.336 -0.483 + 8760TIP3 OH232588 0.433 -3.998 -0.406 + 8760TIP3 H132589 0.383 -4.006 -0.324 + 8760TIP3 H232590 0.384 -4.059 -0.465 + 8761TIP3 OH232591 0.007 -3.716 0.624 + 8761TIP3 H132592 -0.057 -3.703 0.696 + 8761TIP3 H232593 0.015 -3.625 0.587 + 8762TIP3 OH232594 0.009 -3.703 0.111 + 8762TIP3 H132595 -0.086 -3.720 0.096 + 8762TIP3 H232596 0.046 -3.730 0.025 + 8763TIP3 OH232597 0.544 -3.663 -0.005 + 8763TIP3 H132598 0.499 -3.588 -0.047 + 8763TIP3 H232599 0.599 -3.697 -0.077 + 8764TIP3 OH232600 0.485 -3.632 1.123 + 8764TIP3 H132601 0.433 -3.706 1.160 + 8764TIP3 H232602 0.571 -3.644 1.166 + 8765TIP3 OH232603 0.654 -3.703 0.254 + 8765TIP3 H132604 0.613 -3.652 0.181 + 8765TIP3 H232605 0.665 -3.788 0.206 + 8766TIP3 OH232606 -0.252 -3.698 0.805 + 8766TIP3 H132607 -0.227 -3.667 0.892 + 8766TIP3 H232608 -0.293 -3.784 0.826 + 8767TIP3 OH232609 0.081 -3.945 -0.537 + 8767TIP3 H132610 0.050 -3.979 -0.451 + 8767TIP3 H232611 -0.002 -3.930 -0.586 + 8768TIP3 OH232612 -0.577 -3.965 0.173 + 8768TIP3 H132613 -0.519 -3.954 0.250 + 8768TIP3 H232614 -0.516 -3.989 0.102 + 8769TIP3 OH232615 -0.416 -3.911 -0.258 + 8769TIP3 H132616 -0.360 -3.860 -0.320 + 8769TIP3 H232617 -0.486 -3.845 -0.240 + 8770TIP3 OH232618 0.563 -3.544 0.714 + 8770TIP3 H132619 0.604 -3.616 0.661 + 8770TIP3 H232620 0.526 -3.592 0.789 + 8771TIP3 OH232621 -0.266 -3.830 0.088 + 8771TIP3 H132622 -0.342 -3.798 0.035 + 8771TIP3 H232623 -0.234 -3.907 0.039 + 8772TIP3 OH232624 0.111 -3.792 -0.155 + 8772TIP3 H132625 0.206 -3.792 -0.135 + 8772TIP3 H232626 0.099 -3.719 -0.218 + 8773TIP3 OH232627 0.711 -4.038 0.509 + 8773TIP3 H132628 0.650 -4.036 0.586 + 8773TIP3 H232629 0.644 -4.060 0.440 + 8774TIP3 OH232630 -0.055 -3.673 -0.372 + 8774TIP3 H132631 -0.111 -3.696 -0.447 + 8774TIP3 H232632 0.029 -3.652 -0.416 + 8775TIP3 OH232633 1.018 -2.452 1.182 + 8775TIP3 H132634 1.041 -2.412 1.096 + 8775TIP3 H232635 1.092 -2.421 1.237 + 8776TIP3 OH232636 -0.190 -3.198 1.124 + 8776TIP3 H132637 -0.122 -3.186 1.194 + 8776TIP3 H232638 -0.270 -3.192 1.180 + 8777TIP3 OH232639 0.386 -3.696 0.400 + 8777TIP3 H132640 0.438 -3.747 0.336 + 8777TIP3 H232641 0.367 -3.764 0.468 + 8778TIP3 OH232642 -0.102 -4.063 0.019 + 8778TIP3 H132643 -0.144 -4.150 0.023 + 8778TIP3 H232644 -0.020 -4.078 -0.030 + 8779TIP3 OH232645 0.276 -3.853 0.628 + 8779TIP3 H132646 0.204 -3.789 0.618 + 8779TIP3 H232647 0.326 -3.819 0.705 + 8780TIP3 OH232648 0.297 -3.213 -0.187 + 8780TIP3 H132649 0.221 -3.262 -0.225 + 8780TIP3 H232650 0.274 -3.209 -0.092 + 8781TIP3 OH232651 1.015 -3.292 0.686 + 8781TIP3 H132652 1.065 -3.242 0.618 + 8781TIP3 H232653 0.930 -3.308 0.640 + 8782TIP3 OH232654 0.701 -3.925 -0.429 + 8782TIP3 H132655 0.604 -3.937 -0.417 + 8782TIP3 H232656 0.724 -3.866 -0.354 + 8783TIP3 OH232657 0.458 -3.208 0.943 + 8783TIP3 H132658 0.428 -3.239 1.029 + 8783TIP3 H232659 0.428 -3.115 0.942 + 8784TIP3 OH232660 0.772 -3.749 -0.209 + 8784TIP3 H132661 0.858 -3.761 -0.165 + 8784TIP3 H232662 0.780 -3.658 -0.244 + 8785TIP3 OH232663 -0.190 -3.270 0.394 + 8785TIP3 H132664 -0.138 -3.280 0.313 + 8785TIP3 H232665 -0.182 -3.358 0.435 + 8786TIP3 OH232666 0.533 -3.073 -0.297 + 8786TIP3 H132667 0.507 -2.989 -0.254 + 8786TIP3 H232668 0.460 -3.132 -0.270 + 8787TIP3 OH232669 -0.468 -3.444 0.920 + 8787TIP3 H132670 -0.451 -3.490 1.005 + 8787TIP3 H232671 -0.527 -3.505 0.873 + 8788TIP3 OH232672 0.230 -3.495 1.119 + 8788TIP3 H132673 0.194 -3.517 1.031 + 8788TIP3 H232674 0.324 -3.519 1.107 + 8789TIP3 OH232675 0.685 -2.951 0.891 + 8789TIP3 H132676 0.589 -2.940 0.885 + 8789TIP3 H232677 0.702 -2.922 0.982 + 8790TIP3 OH232678 1.238 -3.746 -0.233 + 8790TIP3 H132679 1.181 -3.764 -0.310 + 8790TIP3 H232680 1.249 -3.650 -0.246 + 8791TIP3 OH232681 1.282 -3.141 1.048 + 8791TIP3 H132682 1.188 -3.118 1.030 + 8791TIP3 H232683 1.315 -3.158 0.958 + 8792TIP3 OH232684 1.058 -2.883 -0.219 + 8792TIP3 H132685 1.038 -2.965 -0.173 + 8792TIP3 H232686 1.107 -2.913 -0.297 + 8793TIP3 OH232687 0.783 -3.350 0.515 + 8793TIP3 H132688 0.689 -3.364 0.491 + 8793TIP3 H232689 0.825 -3.423 0.465 + 8794TIP3 OH232690 0.045 -2.941 0.115 + 8794TIP3 H132691 0.086 -2.854 0.105 + 8794TIP3 H232692 -0.047 -2.923 0.094 + 8795TIP3 OH232693 -0.356 -3.463 -0.418 + 8795TIP3 H132694 -0.299 -3.394 -0.381 + 8795TIP3 H232695 -0.443 -3.434 -0.388 + 8796TIP3 OH232696 0.228 -3.171 0.083 + 8796TIP3 H132697 0.193 -3.081 0.095 + 8796TIP3 H232698 0.158 -3.224 0.124 + 8797TIP3 OH232699 0.248 -2.746 0.713 + 8797TIP3 H132700 0.301 -2.667 0.692 + 8797TIP3 H232701 0.307 -2.791 0.775 + 8798TIP3 OH232702 0.096 -2.632 0.040 + 8798TIP3 H132703 -0.001 -2.636 0.048 + 8798TIP3 H232704 0.119 -2.562 0.101 + 8799TIP3 OH232705 0.586 -3.172 0.674 + 8799TIP3 H132706 0.555 -3.198 0.762 + 8799TIP3 H232707 0.658 -3.235 0.658 + 8800TIP3 OH232708 0.805 -3.036 -0.434 + 8800TIP3 H132709 0.845 -3.086 -0.360 + 8800TIP3 H232710 0.711 -3.054 -0.414 + 8801TIP3 OH232711 0.883 -2.714 0.909 + 8801TIP3 H132712 0.799 -2.750 0.878 + 8801TIP3 H232713 0.891 -2.632 0.857 + 8802TIP3 OH232714 1.278 -2.600 -0.390 + 8802TIP3 H132715 1.349 -2.534 -0.398 + 8802TIP3 H232716 1.201 -2.540 -0.384 + 8803TIP3 OH232717 -0.334 -3.961 0.879 + 8803TIP3 H132718 -0.426 -3.941 0.848 + 8803TIP3 H232719 -0.351 -4.048 0.922 + 8804TIP3 OH232720 0.900 -3.177 -0.194 + 8804TIP3 H132721 0.871 -3.252 -0.139 + 8804TIP3 H232722 0.997 -3.184 -0.188 + 8805TIP3 OH232723 -0.357 -2.802 0.720 + 8805TIP3 H132724 -0.329 -2.893 0.738 + 8805TIP3 H232725 -0.338 -2.760 0.804 + 8806TIP3 OH232726 0.230 -2.936 -0.576 + 8806TIP3 H132727 0.256 -3.016 -0.627 + 8806TIP3 H232728 0.184 -2.976 -0.500 + 8807TIP3 OH232729 0.121 -2.985 -0.311 + 8807TIP3 H132730 0.160 -3.039 -0.241 + 8807TIP3 H232731 0.125 -2.895 -0.275 + 8808TIP3 OH232732 -0.203 -3.240 -0.264 + 8808TIP3 H132733 -0.280 -3.203 -0.216 + 8808TIP3 H232734 -0.164 -3.158 -0.300 + 8809TIP3 OH232735 0.557 -4.007 0.744 + 8809TIP3 H132736 0.621 -3.981 0.812 + 8809TIP3 H232737 0.521 -4.091 0.778 + 8810TIP3 OH232738 0.664 -4.071 -0.146 + 8810TIP3 H132739 0.630 -4.009 -0.211 + 8810TIP3 H232740 0.641 -4.026 -0.063 + 8811TIP3 OH232741 0.408 -2.803 -0.234 + 8811TIP3 H132742 0.315 -2.774 -0.233 + 8811TIP3 H232743 0.435 -2.781 -0.324 + 8812TIP3 OH232744 0.400 -3.761 0.873 + 8812TIP3 H132745 0.411 -3.709 0.954 + 8812TIP3 H232746 0.460 -3.835 0.888 + 8813TIP3 OH232747 0.134 -2.716 -0.241 + 8813TIP3 H132748 0.110 -2.644 -0.303 + 8813TIP3 H232749 0.109 -2.676 -0.156 + 8814TIP3 OH232750 0.021 -4.053 -0.282 + 8814TIP3 H132751 0.023 -3.968 -0.234 + 8814TIP3 H232752 0.107 -4.090 -0.255 + 8815TIP3 OH232753 1.040 -3.963 0.953 + 8815TIP3 H132754 0.943 -3.952 0.943 + 8815TIP3 H232755 1.061 -3.987 0.862 + 8816TIP3 OH232756 0.880 -3.573 0.364 + 8816TIP3 H132757 0.799 -3.616 0.330 + 8816TIP3 H232758 0.927 -3.648 0.408 + 8817TIP3 OH232759 -0.162 -2.972 -0.386 + 8817TIP3 H132760 -0.100 -2.903 -0.358 + 8817TIP3 H232761 -0.109 -3.016 -0.454 + 8818TIP3 OH232762 -0.348 -3.745 -0.480 + 8818TIP3 H132763 -0.333 -3.651 -0.457 + 8818TIP3 H232764 -0.436 -3.741 -0.520 + 8819TIP3 OH232765 -0.338 -4.244 0.417 + 8819TIP3 H132766 -0.297 -4.241 0.329 + 8819TIP3 H232767 -0.311 -4.333 0.444 + 8820TIP3 OH232768 -0.363 -2.875 0.022 + 8820TIP3 H132769 -0.445 -2.829 0.040 + 8820TIP3 H232770 -0.333 -2.831 -0.059 + 8821TIP3 OH232771 -0.421 -2.599 1.140 + 8821TIP3 H132772 -0.370 -2.625 1.219 + 8821TIP3 H232773 -0.465 -2.682 1.115 + 8822TIP3 OH232774 0.048 -2.692 1.324 + 8822TIP3 H132775 0.115 -2.760 1.340 + 8822TIP3 H232776 0.023 -2.714 1.232 + 8823TIP3 OH232777 0.450 -2.769 -0.515 + 8823TIP3 H132778 0.371 -2.824 -0.536 + 8823TIP3 H232779 0.519 -2.818 -0.563 + 8824TIP3 OH232780 0.694 -2.870 1.178 + 8824TIP3 H132781 0.652 -2.948 1.218 + 8824TIP3 H232782 0.759 -2.843 1.244 + 8825TIP3 OH232783 0.906 -2.764 -0.507 + 8825TIP3 H132784 0.919 -2.851 -0.464 + 8825TIP3 H232785 0.983 -2.761 -0.568 + 8826TIP3 OH232786 -0.432 -3.238 1.256 + 8826TIP3 H132787 -0.421 -3.326 1.216 + 8826TIP3 H232788 -0.507 -3.203 1.204 + 8827TIP3 OH232789 -0.008 -3.194 -0.544 + 8827TIP3 H132790 0.009 -3.251 -0.467 + 8827TIP3 H232791 0.079 -3.197 -0.589 + 8828TIP3 OH232792 0.233 -3.216 1.189 + 8828TIP3 H132793 0.202 -3.181 1.104 + 8828TIP3 H232794 0.239 -3.313 1.172 + 8829TIP3 OH232795 0.518 -3.060 -0.583 + 8829TIP3 H132796 0.509 -3.065 -0.486 + 8829TIP3 H232797 0.512 -3.156 -0.605 + 8830TIP3 OH232798 0.770 -3.254 0.928 + 8830TIP3 H132799 0.847 -3.198 0.910 + 8830TIP3 H232800 0.699 -3.188 0.927 + 8831TIP3 OH232801 -0.345 -3.526 1.171 + 8831TIP3 H132802 -0.268 -3.585 1.174 + 8831TIP3 H232803 -0.349 -3.498 1.264 + 8832TIP3 OH232804 0.103 -3.386 -0.308 + 8832TIP3 H132805 0.038 -3.434 -0.255 + 8832TIP3 H232806 0.130 -3.454 -0.373 + 8833TIP3 OH232807 0.021 -3.608 0.918 + 8833TIP3 H132808 -0.034 -3.529 0.933 + 8833TIP3 H232809 0.084 -3.575 0.852 + 8834TIP3 OH232810 0.195 -3.585 -0.484 + 8834TIP3 H132811 0.191 -3.573 -0.581 + 8834TIP3 H232812 0.291 -3.587 -0.470 + 8835TIP3 OH232813 0.553 -3.338 1.272 + 8835TIP3 H132814 0.642 -3.356 1.240 + 8835TIP3 H232815 0.528 -3.423 1.310 + 8836TIP3 OH232816 1.147 -3.331 -0.552 + 8836TIP3 H132817 1.135 -3.373 -0.639 + 8836TIP3 H232818 1.136 -3.237 -0.576 + 8837TIP3 OH232819 0.080 -3.879 1.026 + 8837TIP3 H132820 0.089 -3.943 0.953 + 8837TIP3 H232821 0.061 -3.797 0.977 + 8838TIP3 OH232822 0.119 -4.039 0.767 + 8838TIP3 H132823 0.172 -3.981 0.709 + 8838TIP3 H232824 0.028 -4.025 0.732 + 8839TIP3 OH232825 0.271 -3.487 0.816 + 8839TIP3 H132826 0.353 -3.494 0.765 + 8839TIP3 H232827 0.237 -3.400 0.785 + 8840TIP3 OH232828 0.726 -3.693 1.293 + 8840TIP3 H132829 0.749 -3.787 1.307 + 8840TIP3 H232830 0.814 -3.653 1.288 + 8841TIP3 OH232831 0.824 -3.415 1.142 + 8841TIP3 H132832 0.789 -3.354 1.074 + 8841TIP3 H232833 0.914 -3.430 1.105 + 8842TIP3 OH232834 -0.097 -3.698 1.214 + 8842TIP3 H132835 -0.149 -3.780 1.208 + 8842TIP3 H232836 -0.018 -3.721 1.163 + 8843TIP3 OH232837 0.167 -4.278 0.885 + 8843TIP3 H132838 0.180 -4.186 0.854 + 8843TIP3 H232839 0.072 -4.285 0.868 + 8844TIP3 OH232840 0.315 -3.846 1.186 + 8844TIP3 H132841 0.281 -3.870 1.274 + 8844TIP3 H232842 0.235 -3.862 1.133 + 8845TIP3 OH232843 0.574 -3.945 1.084 + 8845TIP3 H132844 0.485 -3.930 1.121 + 8845TIP3 H232845 0.610 -4.010 1.147 + 8846TIP3 OH232846 0.745 -4.137 1.252 + 8846TIP3 H132847 0.732 -4.224 1.291 + 8846TIP3 H232848 0.732 -4.077 1.328 + 8847TIP3 OH232849 -0.216 -3.961 1.197 + 8847TIP3 H132850 -0.245 -4.019 1.124 + 8847TIP3 H232851 -0.266 -3.997 1.272 + 8848TIP3 OH232852 0.276 -4.148 1.299 + 8848TIP3 H132853 0.254 -4.228 1.250 + 8848TIP3 H232854 0.192 -4.098 1.300 + 8849TIP3 OH232855 0.167 -2.443 -0.366 + 8849TIP3 H132856 0.263 -2.445 -0.369 + 8849TIP3 H232857 0.146 -2.420 -0.458 + 8850TIP3 OH232858 -0.447 -3.023 -0.412 + 8850TIP3 H132859 -0.356 -2.986 -0.414 + 8850TIP3 H232860 -0.443 -3.087 -0.485 + 8851TIP3 OH232861 -0.560 -2.513 0.025 + 8851TIP3 H132862 -0.652 -2.531 -0.000 + 8851TIP3 H232863 -0.550 -2.572 0.101 + 8852TIP3 OH232864 -0.497 -2.693 0.249 + 8852TIP3 H132865 -0.528 -2.780 0.277 + 8852TIP3 H232866 -0.474 -2.655 0.335 + 8853TIP3 OH232867 1.244 -2.617 0.837 + 8853TIP3 H132868 1.194 -2.688 0.795 + 8853TIP3 H232869 1.303 -2.667 0.895 + 8854TIP3 OH232870 1.046 -3.086 1.270 + 8854TIP3 H132871 0.956 -3.077 1.307 + 8854TIP3 H232872 1.090 -3.004 1.298 + 8855TIP3 OH232873 1.184 -3.194 -0.157 + 8855TIP3 H132874 1.275 -3.162 -0.143 + 8855TIP3 H232875 1.177 -3.259 -0.084 + 8856TIP3 OH232876 1.230 -3.397 0.040 + 8856TIP3 H132877 1.164 -3.455 0.082 + 8856TIP3 H232878 1.299 -3.388 0.109 + 8857TIP3 OH232879 1.199 -3.147 0.537 + 8857TIP3 H132880 1.259 -3.200 0.482 + 8857TIP3 H232881 1.221 -3.057 0.510 + 8858TIP3 OH232882 1.071 -2.845 0.747 + 8858TIP3 H132883 1.003 -2.810 0.808 + 8858TIP3 H232884 1.019 -2.901 0.687 + 8859TIP3 OH232885 1.257 -3.454 -0.302 + 8859TIP3 H132886 1.206 -3.426 -0.381 + 8859TIP3 H232887 1.243 -3.378 -0.244 + 8860TIP3 OH232888 1.087 -3.700 -0.477 + 8860TIP3 H132889 1.110 -3.638 -0.548 + 8860TIP3 H232890 1.059 -3.779 -0.526 + 8861TIP3 OH232891 1.029 -3.585 0.123 + 8861TIP3 H132892 1.016 -3.679 0.101 + 8861TIP3 H232893 0.985 -3.578 0.210 + 8862TIP3 OH232894 -0.491 -3.368 0.491 + 8862TIP3 H132895 -0.467 -3.359 0.397 + 8862TIP3 H232896 -0.403 -3.386 0.530 + 8863TIP3 OH232897 1.086 -3.392 1.035 + 8863TIP3 H132898 1.159 -3.455 1.052 + 8863TIP3 H232899 1.133 -3.309 1.019 + 8864TIP3 OH232900 1.240 -3.583 1.158 + 8864TIP3 H132901 1.161 -3.637 1.134 + 8864TIP3 H232902 1.310 -3.651 1.156 + 8865TIP3 OH232903 1.026 -3.970 -0.561 + 8865TIP3 H132904 1.084 -4.012 -0.495 + 8865TIP3 H232905 0.943 -4.019 -0.551 + 8866TIP3 OH232906 1.011 -3.826 -0.058 + 8866TIP3 H132907 1.025 -3.923 -0.054 + 8866TIP3 H232908 1.092 -3.798 -0.103 + 8867TIP3 OH232909 1.033 -3.776 0.479 + 8867TIP3 H132910 1.131 -3.767 0.477 + 8867TIP3 H232911 1.019 -3.775 0.575 + 8868TIP3 OH232912 1.048 -3.707 0.766 + 8868TIP3 H132913 0.964 -3.664 0.791 + 8868TIP3 H232914 1.104 -3.629 0.743 + 8869TIP3 OH232915 -0.505 -3.837 1.148 + 8869TIP3 H132916 -0.414 -3.858 1.123 + 8869TIP3 H232917 -0.549 -3.923 1.140 + 8870TIP3 OH232918 1.263 -4.278 1.342 + 8870TIP3 H132919 1.318 -4.354 1.320 + 8870TIP3 H232920 1.267 -4.218 1.264 + 8871TIP3 OH232921 1.038 -4.098 -0.052 + 8871TIP3 H132922 1.060 -4.150 0.026 + 8871TIP3 H232923 0.978 -4.158 -0.100 + 8872TIP3 OH232924 -0.429 -3.989 0.414 + 8872TIP3 H132925 -0.399 -4.082 0.424 + 8872TIP3 H232926 -0.350 -3.940 0.443 + 8873TIP3 OH232927 -0.569 -3.728 0.515 + 8873TIP3 H132928 -0.510 -3.733 0.439 + 8873TIP3 H232929 -0.533 -3.651 0.562 + 8874TIP3 OH232930 1.244 -4.111 1.127 + 8874TIP3 H132931 1.159 -4.064 1.134 + 8874TIP3 H232932 1.235 -4.147 1.036 + 8875TIP3 OH232933 1.251 -4.059 -0.389 + 8875TIP3 H132934 1.270 -4.143 -0.436 + 8875TIP3 H232935 1.337 -4.014 -0.390 + 8876TIP3 OH232936 -0.515 -4.107 -0.085 + 8876TIP3 H132937 -0.610 -4.091 -0.098 + 8876TIP3 H232938 -0.474 -4.035 -0.138 + 8877TIP3 OH232939 0.929 -2.562 0.105 + 8877TIP3 H132940 0.993 -2.593 0.038 + 8877TIP3 H232941 0.985 -2.510 0.164 + 8878TIP3 OH232942 -0.542 -4.127 0.776 + 8878TIP3 H132943 -0.535 -4.221 0.799 + 8878TIP3 H232944 -0.557 -4.131 0.681 + 8879TIP3 OH232945 -0.317 -2.907 1.205 + 8879TIP3 H132946 -0.388 -2.896 1.141 + 8879TIP3 H232947 -0.361 -2.893 1.290 + 8880TIP3 OH232948 -0.031 -2.796 0.769 + 8880TIP3 H132949 -0.062 -2.709 0.740 + 8880TIP3 H232950 0.064 -2.786 0.751 + 8881TIP3 OH232951 0.407 -2.676 1.076 + 8881TIP3 H132952 0.437 -2.685 1.168 + 8881TIP3 H232953 0.481 -2.622 1.039 + 8882TIP3 OH232954 0.621 -2.537 0.995 + 8882TIP3 H132955 0.704 -2.567 0.958 + 8882TIP3 H232956 0.649 -2.464 1.051 + 8883TIP3 OH232957 1.106 -4.276 0.918 + 8883TIP3 H132958 1.056 -4.215 0.861 + 8883TIP3 H232959 1.130 -4.343 0.851 + 8884TIP3 OH232960 -0.289 -2.500 0.806 + 8884TIP3 H132961 -0.354 -2.445 0.757 + 8884TIP3 H232962 -0.327 -2.496 0.895 + 8885TIP3 OH232963 -0.029 -2.513 0.678 + 8885TIP3 H132964 -0.113 -2.501 0.725 + 8885TIP3 H232965 -0.041 -2.454 0.602 + 8886TIP3 OH232966 0.427 -2.513 0.627 + 8886TIP3 H132967 0.392 -2.462 0.552 + 8886TIP3 H232968 0.442 -2.443 0.692 + 8887TIP3 OH232969 0.667 -2.643 0.698 + 8887TIP3 H132970 0.576 -2.610 0.682 + 8887TIP3 H232971 0.712 -2.558 0.710 + 8888TIP3 OH232972 0.934 -2.501 0.703 + 8888TIP3 H132973 0.904 -2.408 0.714 + 8888TIP3 H232974 0.951 -2.499 0.608 + 8889TIP3 OH232975 -0.326 -2.618 0.501 + 8889TIP3 H132976 -0.336 -2.669 0.584 + 8889TIP3 H232977 -0.257 -2.670 0.455 + 8890TIP3 OH232978 -0.132 -2.750 0.342 + 8890TIP3 H132979 -0.151 -2.842 0.370 + 8890TIP3 H232980 -0.042 -2.736 0.378 + 8891TIP3 OH232981 0.140 -2.704 0.433 + 8891TIP3 H132982 0.158 -2.798 0.414 + 8891TIP3 H232983 0.152 -2.703 0.529 + 8892TIP3 OH232984 0.492 -4.115 0.367 + 8892TIP3 H132985 0.402 -4.149 0.369 + 8892TIP3 H232986 0.521 -4.131 0.276 + 8893TIP3 OH232987 1.002 -4.337 0.402 + 8893TIP3 H132988 1.064 -4.290 0.343 + 8893TIP3 H232989 0.918 -4.296 0.380 + 8894TIP3 OH232990 1.198 -4.226 0.191 + 8894TIP3 H132991 1.247 -4.245 0.110 + 8894TIP3 H232992 1.213 -4.130 0.201 + 8895TIP3 OH232993 -0.292 -4.285 0.091 + 8895TIP3 H132994 -0.384 -4.302 0.072 + 8895TIP3 H232995 -0.262 -4.369 0.129 + 8896TIP3 OH232996 -0.433 -4.290 -0.284 + 8896TIP3 H132997 -0.385 -4.240 -0.353 + 8896TIP3 H232998 -0.470 -4.217 -0.231 + 8897TIP3 OH232999 0.204 -4.294 0.122 + 8897TIP3 H133000 0.228 -4.205 0.085 + 8897TIP3 H233001 0.133 -4.267 0.182 + 8898TIP3 OH233002 0.664 -4.304 0.221 + 8898TIP3 H133003 0.730 -4.259 0.165 + 8898TIP3 H233004 0.719 -4.357 0.279 + 8899TIP3 OH233005 0.834 -4.282 -0.164 + 8899TIP3 H133006 0.766 -4.210 -0.167 + 8899TIP3 H233007 0.781 -4.360 -0.145 + 8900TIP3 OH233008 -0.426 -2.698 -0.198 + 8900TIP3 H133009 -0.469 -2.703 -0.284 + 8900TIP3 H233010 -0.414 -2.602 -0.193 + 8901TIP3 OH233011 -0.231 -4.129 -0.429 + 8901TIP3 H133012 -0.163 -4.157 -0.492 + 8901TIP3 H233013 -0.180 -4.071 -0.370 + 8902TIP3 OH233014 0.492 -2.499 -0.339 + 8902TIP3 H133015 0.581 -2.519 -0.373 + 8902TIP3 H233016 0.441 -2.562 -0.392 + 8903TIP3 OH233017 1.130 -2.613 -0.106 + 8903TIP3 H133018 1.113 -2.696 -0.154 + 8903TIP3 H233019 1.127 -2.548 -0.178 + 8904TIP3 OH233020 -0.331 -4.178 1.041 + 8904TIP3 H133021 -0.375 -4.259 1.070 + 8904TIP3 H233022 -0.243 -4.214 1.026 + 8905TIP3 OH233023 -0.037 -4.279 1.304 + 8905TIP3 H133024 0.050 -4.305 1.266 + 8905TIP3 H233025 -0.061 -4.358 1.353 + 8906TIP3 OH233026 1.074 -2.735 1.130 + 8906TIP3 H133027 0.999 -2.751 1.069 + 8906TIP3 H233028 1.060 -2.640 1.150 + 8907TIP3 OH233029 2.497 -3.366 0.144 + 8907TIP3 H133030 2.496 -3.270 0.154 + 8907TIP3 H233031 2.420 -3.380 0.087 + 8908TIP3 OH233032 2.383 -3.422 0.451 + 8908TIP3 H133033 2.380 -3.479 0.530 + 8908TIP3 H233034 2.354 -3.484 0.382 + 8909TIP3 OH233035 1.628 -3.464 0.618 + 8909TIP3 H133036 1.628 -3.539 0.681 + 8909TIP3 H233037 1.700 -3.410 0.655 + 8910TIP3 OH233038 2.751 -3.150 0.283 + 8910TIP3 H133039 2.712 -3.220 0.338 + 8910TIP3 H233040 2.777 -3.085 0.350 + 8911TIP3 OH233041 1.692 -3.002 0.468 + 8911TIP3 H133042 1.673 -3.095 0.443 + 8911TIP3 H233043 1.787 -3.010 0.489 + 8912TIP3 OH233044 1.394 -3.661 0.007 + 8912TIP3 H133045 1.355 -3.573 0.015 + 8912TIP3 H233046 1.321 -3.711 -0.033 + 8913TIP3 OH233047 1.475 -3.413 0.194 + 8913TIP3 H133048 1.490 -3.498 0.241 + 8913TIP3 H233049 1.558 -3.404 0.145 + 8914TIP3 OH233050 2.457 -2.614 0.338 + 8914TIP3 H133051 2.516 -2.685 0.308 + 8914TIP3 H233052 2.428 -2.646 0.425 + 8915TIP3 OH233053 2.230 -3.172 0.508 + 8915TIP3 H133054 2.263 -3.243 0.450 + 8915TIP3 H233055 2.312 -3.156 0.559 + 8916TIP3 OH233056 3.086 -4.017 0.564 + 8916TIP3 H133057 3.120 -3.972 0.643 + 8916TIP3 H233058 3.151 -3.988 0.498 + 8917TIP3 OH233059 2.559 -3.740 0.560 + 8917TIP3 H133060 2.579 -3.836 0.561 + 8917TIP3 H233061 2.550 -3.724 0.465 + 8918TIP3 OH233062 1.854 -3.941 0.269 + 8918TIP3 H133063 1.872 -3.856 0.224 + 8918TIP3 H233064 1.823 -3.994 0.194 + 8919TIP3 OH233065 2.646 -3.922 0.102 + 8919TIP3 H133066 2.707 -3.964 0.166 + 8919TIP3 H233067 2.708 -3.877 0.043 + 8920TIP3 OH233068 1.526 -3.662 0.317 + 8920TIP3 H133069 1.587 -3.711 0.374 + 8920TIP3 H233070 1.534 -3.712 0.233 + 8921TIP3 OH233071 2.065 -3.525 0.263 + 8921TIP3 H133072 2.135 -3.580 0.302 + 8921TIP3 H233073 2.014 -3.592 0.213 + 8922TIP3 OH233074 3.181 -3.847 0.831 + 8922TIP3 H133075 3.105 -3.797 0.796 + 8922TIP3 H233076 3.141 -3.891 0.907 + 8923TIP3 OH233077 1.736 -4.056 0.684 + 8923TIP3 H133078 1.703 -4.001 0.612 + 8923TIP3 H233079 1.669 -4.036 0.753 + 8924TIP3 OH233080 2.487 -3.082 0.022 + 8924TIP3 H133081 2.456 -3.102 -0.066 + 8924TIP3 H233082 2.442 -2.997 0.041 + 8925TIP3 OH233083 2.031 -3.269 0.695 + 8925TIP3 H133084 1.957 -3.210 0.720 + 8925TIP3 H233085 2.093 -3.209 0.650 + 8926TIP3 OH233086 2.834 -4.014 0.305 + 8926TIP3 H133087 2.785 -4.060 0.373 + 8926TIP3 H233088 2.885 -3.950 0.357 + 8927TIP3 OH233089 1.698 -3.856 0.479 + 8927TIP3 H133090 1.761 -3.795 0.522 + 8927TIP3 H233091 1.754 -3.890 0.405 + 8928TIP3 OH233092 1.829 -3.083 0.767 + 8928TIP3 H133093 1.827 -2.991 0.736 + 8928TIP3 H233094 1.743 -3.088 0.813 + 8929TIP3 OH233095 1.460 -3.111 -0.144 + 8929TIP3 H133096 1.442 -3.063 -0.228 + 8929TIP3 H233097 1.477 -3.039 -0.080 + 8930TIP3 OH233098 2.806 -2.967 0.534 + 8930TIP3 H133099 2.709 -2.956 0.535 + 8930TIP3 H233100 2.833 -2.881 0.496 + 8931TIP3 OH233101 2.849 -4.110 0.706 + 8931TIP3 H133102 2.768 -4.078 0.662 + 8931TIP3 H233103 2.915 -4.097 0.635 + 8932TIP3 OH233104 2.159 4.381 0.409 + 8932TIP3 H133105 2.155 4.285 0.417 + 8932TIP3 H233106 2.072 4.412 0.439 + 8933TIP3 OH233107 2.639 -2.776 0.194 + 8933TIP3 H133108 2.688 -2.852 0.157 + 8933TIP3 H233109 2.702 -2.703 0.177 + 8934TIP3 OH233110 2.784 -2.990 0.051 + 8934TIP3 H133111 2.728 -3.032 -0.016 + 8934TIP3 H233112 2.775 -3.053 0.125 + 8935TIP3 OH233113 2.938 -3.105 0.900 + 8935TIP3 H133114 2.924 -3.169 0.828 + 8935TIP3 H233115 2.946 -3.021 0.851 + 8936TIP3 OH233116 2.361 -3.416 -0.130 + 8936TIP3 H133117 2.295 -3.354 -0.166 + 8936TIP3 H233118 2.432 -3.409 -0.195 + 8937TIP3 OH233119 2.390 -3.596 -0.424 + 8937TIP3 H133120 2.459 -3.565 -0.363 + 8937TIP3 H233121 2.443 -3.653 -0.483 + 8938TIP3 OH233122 3.111 -3.487 0.695 + 8938TIP3 H133123 3.038 -3.423 0.702 + 8938TIP3 H233124 3.158 -3.453 0.616 + 8939TIP3 OH233125 2.713 -3.415 -0.022 + 8939TIP3 H133126 2.644 -3.392 0.045 + 8939TIP3 H233127 2.773 -3.470 0.031 + 8940TIP3 OH233128 2.697 -3.562 0.861 + 8940TIP3 H133129 2.702 -3.480 0.914 + 8940TIP3 H233130 2.632 -3.533 0.795 + 8941TIP3 OH233131 1.870 -3.338 0.156 + 8941TIP3 H133132 1.840 -3.380 0.073 + 8941TIP3 H233133 1.937 -3.401 0.188 + 8942TIP3 OH233134 2.006 -2.999 0.431 + 8942TIP3 H133135 1.997 -3.033 0.341 + 8942TIP3 H233136 2.087 -3.044 0.462 + 8943TIP3 OH233137 1.932 -3.458 0.506 + 8943TIP3 H133138 1.988 -3.453 0.425 + 8943TIP3 H233139 1.971 -3.389 0.563 + 8944TIP3 OH233140 2.528 -2.906 0.562 + 8944TIP3 H133141 2.527 -2.838 0.632 + 8944TIP3 H233142 2.503 -2.987 0.610 + 8945TIP3 OH233143 2.015 -3.025 0.989 + 8945TIP3 H133144 1.964 -2.957 1.036 + 8945TIP3 H233145 1.951 -3.051 0.919 + 8946TIP3 OH233146 2.609 -3.473 -0.276 + 8946TIP3 H133147 2.655 -3.443 -0.195 + 8946TIP3 H233148 2.658 -3.420 -0.345 + 8947TIP3 OH233149 1.709 -3.385 0.900 + 8947TIP3 H133150 1.714 -3.327 0.978 + 8947TIP3 H233151 1.613 -3.398 0.892 + 8948TIP3 OH233152 2.355 -2.810 0.081 + 8948TIP3 H133153 2.398 -2.777 0.160 + 8948TIP3 H233154 2.306 -2.732 0.049 + 8949TIP3 OH233155 1.826 -2.808 1.070 + 8949TIP3 H133156 1.815 -2.801 0.973 + 8949TIP3 H233157 1.737 -2.833 1.101 + 8950TIP3 OH233158 2.927 -4.321 -0.354 + 8950TIP3 H133159 2.885 -4.324 -0.268 + 8950TIP3 H233160 3.006 -4.269 -0.333 + 8951TIP3 OH233161 1.763 -3.463 -0.090 + 8951TIP3 H133162 1.745 -3.387 -0.148 + 8951TIP3 H233163 1.698 -3.527 -0.120 + 8952TIP3 OH233164 3.089 -2.884 -0.471 + 8952TIP3 H133165 3.104 -2.789 -0.450 + 8952TIP3 H233166 3.177 -2.922 -0.452 + 8953TIP3 OH233167 1.368 -3.197 0.781 + 8953TIP3 H133168 1.328 -3.201 0.693 + 8953TIP3 H233169 1.384 -3.291 0.800 + 8954TIP3 OH233170 1.369 -2.896 0.488 + 8954TIP3 H133171 1.455 -2.938 0.471 + 8954TIP3 H233172 1.391 -2.846 0.568 + 8955TIP3 OH233173 3.214 -2.841 1.052 + 8955TIP3 H133174 3.203 -2.936 1.032 + 8955TIP3 H233175 3.123 -2.818 1.080 + 8956TIP3 OH233176 2.280 -2.920 0.933 + 8956TIP3 H133177 2.287 -2.837 0.983 + 8956TIP3 H233178 2.189 -2.949 0.954 + 8957TIP3 OH233179 2.317 -2.540 -0.073 + 8957TIP3 H133180 2.309 -2.525 -0.169 + 8957TIP3 H233181 2.308 -2.451 -0.037 + 8958TIP3 OH233182 1.697 -2.638 0.084 + 8958TIP3 H133183 1.705 -2.665 0.177 + 8958TIP3 H233184 1.605 -2.661 0.064 + 8959TIP3 OH233185 2.640 -2.595 -0.353 + 8959TIP3 H133186 2.695 -2.662 -0.398 + 8959TIP3 H233187 2.632 -2.633 -0.263 + 8960TIP3 OH233188 2.578 -2.655 -0.073 + 8960TIP3 H133189 2.484 -2.633 -0.062 + 8960TIP3 H233190 2.587 -2.727 -0.008 + 8961TIP3 OH233191 2.895 -3.708 1.092 + 8961TIP3 H133192 2.843 -3.668 1.020 + 8961TIP3 H233193 2.901 -3.801 1.062 + 8962TIP3 OH233194 1.590 -3.042 0.908 + 8962TIP3 H133195 1.617 -3.090 0.989 + 8962TIP3 H233196 1.517 -3.097 0.873 + 8963TIP3 OH233197 1.911 -4.220 0.498 + 8963TIP3 H133198 1.829 -4.242 0.452 + 8963TIP3 H233199 1.887 -4.136 0.539 + 8964TIP3 OH233200 2.367 -4.262 0.855 + 8964TIP3 H133201 2.385 -4.309 0.937 + 8964TIP3 H233202 2.272 -4.278 0.845 + 8965TIP3 OH233203 2.664 -3.863 0.898 + 8965TIP3 H133204 2.604 -3.875 0.974 + 8965TIP3 H233205 2.657 -3.768 0.879 + 8966TIP3 OH233206 2.763 -3.365 -0.477 + 8966TIP3 H133207 2.743 -3.380 -0.571 + 8966TIP3 H233208 2.856 -3.336 -0.481 + 8967TIP3 OH233209 2.329 -3.994 -0.430 + 8967TIP3 H133210 2.274 -4.004 -0.350 + 8967TIP3 H233211 2.279 -4.054 -0.490 + 8968TIP3 OH233212 1.895 -3.716 0.624 + 8968TIP3 H133213 1.836 -3.703 0.700 + 8968TIP3 H233214 1.903 -3.625 0.588 + 8969TIP3 OH233215 1.889 -3.709 0.113 + 8969TIP3 H133216 1.794 -3.717 0.096 + 8969TIP3 H233217 1.925 -3.727 0.023 + 8970TIP3 OH233218 2.451 -3.652 -0.011 + 8970TIP3 H133219 2.410 -3.569 -0.044 + 8970TIP3 H233220 2.518 -3.667 -0.080 + 8971TIP3 OH233221 2.370 -3.632 1.123 + 8971TIP3 H133222 2.318 -3.706 1.160 + 8971TIP3 H233223 2.456 -3.644 1.166 + 8972TIP3 OH233224 2.536 -3.711 0.267 + 8972TIP3 H133225 2.507 -3.653 0.194 + 8972TIP3 H233226 2.557 -3.792 0.216 + 8973TIP3 OH233227 1.631 -3.696 0.806 + 8973TIP3 H133228 1.659 -3.669 0.894 + 8973TIP3 H233229 1.592 -3.784 0.825 + 8974TIP3 OH233230 1.968 -3.944 -0.536 + 8974TIP3 H133231 1.933 -3.979 -0.452 + 8974TIP3 H233232 1.888 -3.926 -0.587 + 8975TIP3 OH233233 1.311 -3.956 0.171 + 8975TIP3 H133234 1.369 -3.956 0.249 + 8975TIP3 H233235 1.367 -3.993 0.101 + 8976TIP3 OH233236 1.472 -3.911 -0.258 + 8976TIP3 H133237 1.525 -3.860 -0.322 + 8976TIP3 H233238 1.400 -3.847 -0.240 + 8977TIP3 OH233239 2.446 -3.543 0.713 + 8977TIP3 H133240 2.489 -3.616 0.663 + 8977TIP3 H233241 2.412 -3.591 0.790 + 8978TIP3 OH233242 2.167 -3.943 0.211 + 8978TIP3 H133243 2.073 -3.958 0.232 + 8978TIP3 H233244 2.209 -3.972 0.293 + 8979TIP3 OH233245 1.622 -3.827 0.082 + 8979TIP3 H133246 1.542 -3.798 0.036 + 8979TIP3 H233247 1.649 -3.908 0.035 + 8980TIP3 OH233248 1.986 -3.790 -0.148 + 8980TIP3 H133249 2.083 -3.783 -0.146 + 8980TIP3 H233250 1.960 -3.733 -0.223 + 8981TIP3 OH233251 2.601 -4.033 0.516 + 8981TIP3 H133252 2.537 -4.035 0.590 + 8981TIP3 H233253 2.543 -4.063 0.444 + 8982TIP3 OH233254 1.834 -3.673 -0.373 + 8982TIP3 H133255 1.774 -3.695 -0.446 + 8982TIP3 H233256 1.914 -3.648 -0.421 + 8983TIP3 OH233257 2.906 -2.458 1.182 + 8983TIP3 H133258 2.925 -2.412 1.099 + 8983TIP3 H233259 2.976 -2.425 1.241 + 8984TIP3 OH233260 1.697 -3.196 1.125 + 8984TIP3 H133261 1.765 -3.187 1.195 + 8984TIP3 H233262 1.616 -3.195 1.180 + 8985TIP3 OH233263 2.268 -3.694 0.398 + 8985TIP3 H133264 2.340 -3.738 0.349 + 8985TIP3 H233265 2.252 -3.757 0.471 + 8986TIP3 OH233266 1.781 -4.066 0.019 + 8986TIP3 H133267 1.736 -4.152 0.032 + 8986TIP3 H233268 1.866 -4.093 -0.018 + 8987TIP3 OH233269 2.164 -3.849 0.623 + 8987TIP3 H133270 2.089 -3.788 0.622 + 8987TIP3 H233271 2.214 -3.822 0.703 + 8988TIP3 OH233272 2.179 -3.210 -0.189 + 8988TIP3 H133273 2.103 -3.260 -0.225 + 8988TIP3 H233274 2.159 -3.205 -0.093 + 8989TIP3 OH233275 2.901 -3.294 0.685 + 8989TIP3 H133276 2.951 -3.239 0.620 + 8989TIP3 H233277 2.816 -3.305 0.639 + 8990TIP3 OH233278 2.596 -3.930 -0.428 + 8990TIP3 H133279 2.498 -3.938 -0.425 + 8990TIP3 H233280 2.615 -3.863 -0.360 + 8991TIP3 OH233281 2.344 -3.208 0.943 + 8991TIP3 H133282 2.313 -3.240 1.029 + 8991TIP3 H233283 2.313 -3.116 0.943 + 8992TIP3 OH233284 2.661 -3.750 -0.213 + 8992TIP3 H133285 2.748 -3.762 -0.170 + 8992TIP3 H233286 2.670 -3.659 -0.250 + 8993TIP3 OH233287 1.694 -3.270 0.393 + 8993TIP3 H133288 1.749 -3.281 0.313 + 8993TIP3 H233289 1.703 -3.357 0.436 + 8994TIP3 OH233290 2.419 -3.074 -0.295 + 8994TIP3 H133291 2.392 -2.987 -0.260 + 8994TIP3 H233292 2.342 -3.128 -0.269 + 8995TIP3 OH233293 1.417 -3.442 0.920 + 8995TIP3 H133294 1.435 -3.487 1.005 + 8995TIP3 H233295 1.359 -3.505 0.874 + 8996TIP3 OH233296 2.116 -3.493 1.118 + 8996TIP3 H133297 2.082 -3.517 1.030 + 8996TIP3 H233298 2.209 -3.520 1.108 + 8997TIP3 OH233299 2.570 -2.950 0.891 + 8997TIP3 H133300 2.474 -2.942 0.883 + 8997TIP3 H233301 2.585 -2.924 0.983 + 8998TIP3 OH233302 3.123 -3.746 -0.233 + 8998TIP3 H133303 3.066 -3.765 -0.310 + 8998TIP3 H233304 3.134 -3.649 -0.246 + 8999TIP3 OH233305 3.169 -3.139 1.047 + 8999TIP3 H133306 3.075 -3.119 1.028 + 8999TIP3 H233307 3.201 -3.159 0.957 + 9000TIP3 OH233308 2.943 -2.883 -0.222 + 9000TIP3 H133309 2.922 -2.962 -0.170 + 9000TIP3 H233310 2.995 -2.920 -0.296 + 9001TIP3 OH233311 2.667 -3.351 0.516 + 9001TIP3 H133312 2.574 -3.365 0.491 + 9001TIP3 H233313 2.711 -3.422 0.465 + 9002TIP3 OH233314 1.928 -2.940 0.122 + 9002TIP3 H133315 1.972 -2.854 0.108 + 9002TIP3 H233316 1.839 -2.919 0.094 + 9003TIP3 OH233317 1.531 -3.463 -0.419 + 9003TIP3 H133318 1.587 -3.394 -0.381 + 9003TIP3 H233319 1.442 -3.434 -0.388 + 9004TIP3 OH233320 2.114 -3.174 0.081 + 9004TIP3 H133321 2.086 -3.082 0.095 + 9004TIP3 H233322 2.041 -3.222 0.124 + 9005TIP3 OH233323 2.130 -2.747 0.717 + 9005TIP3 H133324 2.184 -2.672 0.686 + 9005TIP3 H233325 2.194 -2.795 0.773 + 9006TIP3 OH233326 1.974 -2.655 0.042 + 9006TIP3 H133327 1.879 -2.635 0.047 + 9006TIP3 H233328 2.013 -2.567 0.064 + 9007TIP3 OH233329 2.471 -3.172 0.673 + 9007TIP3 H133330 2.442 -3.200 0.762 + 9007TIP3 H233331 2.545 -3.233 0.656 + 9008TIP3 OH233332 2.688 -3.043 -0.435 + 9008TIP3 H133333 2.730 -3.087 -0.359 + 9008TIP3 H233334 2.595 -3.055 -0.410 + 9009TIP3 OH233335 2.767 -2.715 0.912 + 9009TIP3 H133336 2.690 -2.761 0.871 + 9009TIP3 H233337 2.774 -2.635 0.856 + 9010TIP3 OH233338 3.164 -2.615 -0.382 + 9010TIP3 H133339 3.230 -2.550 -0.408 + 9010TIP3 H233340 3.085 -2.558 -0.379 + 9011TIP3 OH233341 1.552 -3.961 0.878 + 9011TIP3 H133342 1.461 -3.943 0.847 + 9011TIP3 H233343 1.536 -4.047 0.922 + 9012TIP3 OH233344 2.784 -3.181 -0.197 + 9012TIP3 H133345 2.758 -3.252 -0.136 + 9012TIP3 H233346 2.881 -3.182 -0.187 + 9013TIP3 OH233347 1.521 -2.808 0.722 + 9013TIP3 H133348 1.563 -2.894 0.738 + 9013TIP3 H233349 1.547 -2.761 0.803 + 9014TIP3 OH233350 2.113 -2.936 -0.578 + 9014TIP3 H133351 2.141 -3.016 -0.626 + 9014TIP3 H233352 2.070 -2.975 -0.500 + 9015TIP3 OH233353 1.997 -2.985 -0.306 + 9015TIP3 H133354 2.049 -3.036 -0.242 + 9015TIP3 H233355 2.011 -2.893 -0.275 + 9016TIP3 OH233356 1.681 -3.241 -0.265 + 9016TIP3 H133357 1.608 -3.202 -0.214 + 9016TIP3 H233358 1.727 -3.161 -0.296 + 9017TIP3 OH233359 2.442 -4.007 0.745 + 9017TIP3 H133360 2.505 -3.981 0.813 + 9017TIP3 H233361 2.406 -4.092 0.779 + 9018TIP3 OH233362 2.522 -4.058 -0.141 + 9018TIP3 H133363 2.526 -3.997 -0.216 + 9018TIP3 H233364 2.556 -4.002 -0.069 + 9019TIP3 OH233365 2.290 -2.826 -0.244 + 9019TIP3 H133366 2.211 -2.773 -0.223 + 9019TIP3 H233367 2.328 -2.774 -0.317 + 9020TIP3 OH233368 2.256 -3.853 -0.041 + 9020TIP3 H133369 2.328 -3.788 -0.027 + 9020TIP3 H233370 2.225 -3.867 0.051 + 9021TIP3 OH233371 2.288 -3.761 0.871 + 9021TIP3 H133372 2.296 -3.710 0.953 + 9021TIP3 H233373 2.344 -3.837 0.889 + 9022TIP3 OH233374 2.327 -4.173 0.060 + 9022TIP3 H133375 2.292 -4.097 0.110 + 9022TIP3 H233376 2.381 -4.128 -0.008 + 9023TIP3 OH233377 2.011 -2.715 -0.243 + 9023TIP3 H133378 2.006 -2.634 -0.299 + 9023TIP3 H233379 1.996 -2.679 -0.154 + 9024TIP3 OH233380 1.880 -4.051 -0.291 + 9024TIP3 H133381 1.882 -3.969 -0.238 + 9024TIP3 H233382 1.968 -4.087 -0.269 + 9025TIP3 OH233383 2.926 -3.963 0.953 + 9025TIP3 H133384 2.829 -3.952 0.944 + 9025TIP3 H233385 2.945 -3.989 0.862 + 9026TIP3 OH233386 2.767 -3.574 0.363 + 9026TIP3 H133387 2.685 -3.619 0.336 + 9026TIP3 H233388 2.816 -3.646 0.409 + 9027TIP3 OH233389 1.723 -2.963 -0.389 + 9027TIP3 H133390 1.795 -2.909 -0.351 + 9027TIP3 H233391 1.773 -3.010 -0.457 + 9028TIP3 OH233392 1.538 -3.745 -0.479 + 9028TIP3 H133393 1.550 -3.651 -0.456 + 9028TIP3 H233394 1.451 -3.743 -0.522 + 9029TIP3 OH233395 2.870 -2.689 0.503 + 9029TIP3 H133396 2.849 -2.609 0.451 + 9029TIP3 H233397 2.963 -2.672 0.525 + 9030TIP3 OH233398 1.551 -4.242 0.418 + 9030TIP3 H133399 1.590 -4.241 0.330 + 9030TIP3 H233400 1.574 -4.333 0.444 + 9031TIP3 OH233401 1.513 -2.879 0.037 + 9031TIP3 H133402 1.432 -2.830 0.023 + 9031TIP3 H233403 1.569 -2.842 -0.032 + 9032TIP3 OH233404 1.459 -2.596 1.143 + 9032TIP3 H133405 1.515 -2.624 1.218 + 9032TIP3 H233406 1.419 -2.681 1.115 + 9033TIP3 OH233407 1.928 -2.694 1.323 + 9033TIP3 H133408 1.998 -2.757 1.342 + 9033TIP3 H233409 1.906 -2.717 1.231 + 9034TIP3 OH233410 2.335 -2.766 -0.528 + 9034TIP3 H133411 2.259 -2.827 -0.537 + 9034TIP3 H233412 2.405 -2.821 -0.567 + 9035TIP3 OH233413 2.578 -2.866 1.178 + 9035TIP3 H133414 2.537 -2.946 1.215 + 9035TIP3 H233415 2.645 -2.844 1.245 + 9036TIP3 OH233416 2.797 -2.775 -0.515 + 9036TIP3 H133417 2.814 -2.857 -0.467 + 9036TIP3 H233418 2.873 -2.770 -0.576 + 9037TIP3 OH233419 1.455 -3.236 1.255 + 9037TIP3 H133420 1.464 -3.326 1.220 + 9037TIP3 H233421 1.378 -3.204 1.203 + 9038TIP3 OH233422 1.876 -3.194 -0.544 + 9038TIP3 H133423 1.894 -3.252 -0.468 + 9038TIP3 H233424 1.963 -3.196 -0.589 + 9039TIP3 OH233425 2.119 -3.216 1.189 + 9039TIP3 H133426 2.088 -3.182 1.103 + 9039TIP3 H233427 2.125 -3.312 1.173 + 9040TIP3 OH233428 2.401 -3.061 -0.582 + 9040TIP3 H133429 2.395 -3.064 -0.485 + 9040TIP3 H233430 2.395 -3.157 -0.603 + 9041TIP3 OH233431 2.655 -3.254 0.929 + 9041TIP3 H133432 2.733 -3.200 0.907 + 9041TIP3 H233433 2.585 -3.188 0.926 + 9042TIP3 OH233434 1.541 -3.523 1.171 + 9042TIP3 H133435 1.616 -3.585 1.173 + 9042TIP3 H233436 1.537 -3.499 1.265 + 9043TIP3 OH233437 1.986 -3.385 -0.310 + 9043TIP3 H133438 1.925 -3.437 -0.255 + 9043TIP3 H233439 2.016 -3.453 -0.373 + 9044TIP3 OH233440 1.906 -3.609 0.915 + 9044TIP3 H133441 1.853 -3.530 0.935 + 9044TIP3 H233442 1.972 -3.573 0.852 + 9045TIP3 OH233443 2.080 -3.584 -0.484 + 9045TIP3 H133444 2.076 -3.575 -0.581 + 9045TIP3 H233445 2.176 -3.587 -0.469 + 9046TIP3 OH233446 2.438 -3.338 1.272 + 9046TIP3 H133447 2.528 -3.357 1.240 + 9046TIP3 H233448 2.412 -3.422 1.311 + 9047TIP3 OH233449 3.034 -3.332 -0.552 + 9047TIP3 H133450 3.021 -3.372 -0.639 + 9047TIP3 H233451 3.021 -3.237 -0.574 + 9048TIP3 OH233452 1.966 -3.879 1.026 + 9048TIP3 H133453 1.974 -3.944 0.954 + 9048TIP3 H233454 1.946 -3.797 0.977 + 9049TIP3 OH233455 2.004 -4.037 0.768 + 9049TIP3 H133456 2.057 -3.982 0.707 + 9049TIP3 H233457 1.913 -4.026 0.734 + 9050TIP3 OH233458 2.155 -3.487 0.815 + 9050TIP3 H133459 2.239 -3.495 0.766 + 9050TIP3 H233460 2.123 -3.400 0.784 + 9051TIP3 OH233461 2.612 -3.693 1.292 + 9051TIP3 H133462 2.632 -3.786 1.309 + 9051TIP3 H233463 2.701 -3.654 1.288 + 9052TIP3 OH233464 2.710 -3.415 1.142 + 9052TIP3 H133465 2.675 -3.354 1.074 + 9052TIP3 H233466 2.799 -3.430 1.105 + 9053TIP3 OH233467 1.787 -3.696 1.209 + 9053TIP3 H133468 1.736 -3.778 1.210 + 9053TIP3 H233469 1.868 -3.725 1.164 + 9054TIP3 OH233470 2.051 -4.277 0.890 + 9054TIP3 H133471 2.066 -4.187 0.855 + 9054TIP3 H233472 1.957 -4.287 0.868 + 9055TIP3 OH233473 2.200 -3.844 1.186 + 9055TIP3 H133474 2.169 -3.871 1.274 + 9055TIP3 H233475 2.119 -3.863 1.134 + 9056TIP3 OH233476 2.459 -3.944 1.084 + 9056TIP3 H133477 2.370 -3.930 1.121 + 9056TIP3 H233478 2.495 -4.010 1.147 + 9057TIP3 OH233479 2.635 -4.137 1.254 + 9057TIP3 H133480 2.616 -4.224 1.291 + 9057TIP3 H233481 2.617 -4.077 1.328 + 9058TIP3 OH233482 1.667 -3.960 1.196 + 9058TIP3 H133483 1.640 -4.020 1.125 + 9058TIP3 H233484 1.622 -3.998 1.274 + 9059TIP3 OH233485 2.163 -4.145 1.294 + 9059TIP3 H133486 2.140 -4.228 1.249 + 9059TIP3 H233487 2.078 -4.099 1.302 + 9060TIP3 OH233488 2.059 -2.466 -0.378 + 9060TIP3 H133489 2.152 -2.444 -0.360 + 9060TIP3 H233490 2.044 -2.410 -0.456 + 9061TIP3 OH233491 1.448 -3.022 -0.418 + 9061TIP3 H133492 1.544 -3.001 -0.408 + 9061TIP3 H233493 1.450 -3.097 -0.479 + 9062TIP3 OH233494 1.357 -2.496 0.052 + 9062TIP3 H133495 1.286 -2.527 -0.006 + 9062TIP3 H233496 1.360 -2.562 0.123 + 9063TIP3 OH233497 1.351 -2.701 0.277 + 9063TIP3 H133498 1.379 -2.794 0.273 + 9063TIP3 H233499 1.424 -2.664 0.331 + 9064TIP3 OH233500 3.142 -2.573 0.552 + 9064TIP3 H133501 3.158 -2.576 0.648 + 9064TIP3 H233502 3.227 -2.543 0.518 + 9065TIP3 OH233503 3.134 -2.628 0.840 + 9065TIP3 H133504 3.079 -2.700 0.803 + 9065TIP3 H233505 3.186 -2.677 0.905 + 9066TIP3 OH233506 2.931 -3.086 1.269 + 9066TIP3 H133507 2.842 -3.077 1.308 + 9066TIP3 H233508 2.976 -3.004 1.299 + 9067TIP3 OH233509 3.071 -3.195 -0.158 + 9067TIP3 H133510 3.161 -3.162 -0.142 + 9067TIP3 H233511 3.062 -3.258 -0.085 + 9068TIP3 OH233512 3.117 -3.398 0.039 + 9068TIP3 H133513 3.050 -3.455 0.082 + 9068TIP3 H233514 3.185 -3.387 0.108 + 9069TIP3 OH233515 3.091 -3.149 0.540 + 9069TIP3 H133516 3.150 -3.198 0.481 + 9069TIP3 H233517 3.100 -3.058 0.507 + 9070TIP3 OH233518 2.961 -2.857 0.762 + 9070TIP3 H133519 2.887 -2.816 0.811 + 9070TIP3 H233520 2.916 -2.892 0.683 + 9071TIP3 OH233521 3.143 -3.454 -0.303 + 9071TIP3 H133522 3.091 -3.425 -0.381 + 9071TIP3 H233523 3.129 -3.379 -0.243 + 9072TIP3 OH233524 2.971 -3.699 -0.477 + 9072TIP3 H133525 2.996 -3.638 -0.547 + 9072TIP3 H233526 2.945 -3.779 -0.527 + 9073TIP3 OH233527 2.912 -3.584 0.122 + 9073TIP3 H133528 2.903 -3.679 0.103 + 9073TIP3 H233529 2.872 -3.576 0.211 + 9074TIP3 OH233530 1.394 -3.361 0.492 + 9074TIP3 H133531 1.418 -3.359 0.398 + 9074TIP3 H233532 1.480 -3.384 0.532 + 9075TIP3 OH233533 2.971 -3.393 1.037 + 9075TIP3 H133534 3.045 -3.454 1.052 + 9075TIP3 H233535 3.016 -3.310 1.015 + 9076TIP3 OH233536 3.127 -3.584 1.158 + 9076TIP3 H133537 3.047 -3.636 1.134 + 9076TIP3 H233538 3.196 -3.653 1.155 + 9077TIP3 OH233539 2.912 -3.969 -0.561 + 9077TIP3 H133540 2.971 -4.012 -0.496 + 9077TIP3 H233541 2.829 -4.018 -0.550 + 9078TIP3 OH233542 2.894 -3.827 -0.059 + 9078TIP3 H133543 2.911 -3.924 -0.054 + 9078TIP3 H233544 2.976 -3.797 -0.102 + 9079TIP3 OH233545 2.919 -3.774 0.479 + 9079TIP3 H133546 3.017 -3.768 0.477 + 9079TIP3 H233547 2.905 -3.776 0.575 + 9080TIP3 OH233548 2.934 -3.706 0.766 + 9080TIP3 H133549 2.850 -3.665 0.791 + 9080TIP3 H233550 2.989 -3.629 0.743 + 9081TIP3 OH233551 1.380 -3.836 1.144 + 9081TIP3 H133552 1.472 -3.858 1.127 + 9081TIP3 H233553 1.337 -3.923 1.141 + 9082TIP3 OH233554 3.152 -4.275 1.343 + 9082TIP3 H133555 3.198 -4.356 1.319 + 9082TIP3 H233556 3.152 -4.218 1.263 + 9083TIP3 OH233557 2.923 -4.099 -0.051 + 9083TIP3 H133558 2.947 -4.150 0.027 + 9083TIP3 H233559 2.861 -4.160 -0.095 + 9084TIP3 OH233560 1.456 -3.990 0.412 + 9084TIP3 H133561 1.487 -4.083 0.423 + 9084TIP3 H233562 1.531 -3.940 0.449 + 9085TIP3 OH233563 1.316 -3.728 0.514 + 9085TIP3 H133564 1.375 -3.734 0.437 + 9085TIP3 H233565 1.355 -3.654 0.562 + 9086TIP3 OH233566 3.129 -4.111 1.127 + 9086TIP3 H133567 3.044 -4.064 1.133 + 9086TIP3 H233568 3.120 -4.147 1.036 + 9087TIP3 OH233569 3.137 -4.057 -0.392 + 9087TIP3 H133570 3.155 -4.143 -0.436 + 9087TIP3 H233571 3.224 -4.015 -0.390 + 9088TIP3 OH233572 1.371 -4.102 -0.080 + 9088TIP3 H133573 1.276 -4.094 -0.099 + 9088TIP3 H233574 1.410 -4.033 -0.138 + 9089TIP3 OH233575 2.831 -2.570 0.132 + 9089TIP3 H133576 2.878 -2.593 0.050 + 9089TIP3 H233577 2.901 -2.532 0.186 + 9090TIP3 OH233578 1.349 -4.128 0.773 + 9090TIP3 H133579 1.347 -4.222 0.799 + 9090TIP3 H233580 1.327 -4.133 0.679 + 9091TIP3 OH233581 1.570 -2.900 1.205 + 9091TIP3 H133582 1.498 -2.897 1.140 + 9091TIP3 H233583 1.522 -2.897 1.289 + 9092TIP3 OH233584 1.853 -2.797 0.772 + 9092TIP3 H133585 1.823 -2.712 0.736 + 9092TIP3 H233586 1.949 -2.789 0.754 + 9093TIP3 OH233587 2.306 -2.669 1.073 + 9093TIP3 H133588 2.320 -2.684 1.168 + 9093TIP3 H233589 2.388 -2.622 1.047 + 9094TIP3 OH233590 2.534 -2.521 0.997 + 9094TIP3 H133591 2.602 -2.587 0.974 + 9094TIP3 H233592 2.564 -2.492 1.085 + 9095TIP3 OH233593 2.993 -4.276 0.917 + 9095TIP3 H133594 2.942 -4.214 0.862 + 9095TIP3 H233595 3.013 -4.344 0.851 + 9096TIP3 OH233596 1.588 -2.506 0.802 + 9096TIP3 H133597 1.531 -2.442 0.757 + 9096TIP3 H233598 1.559 -2.495 0.893 + 9097TIP3 OH233599 1.840 -2.525 0.657 + 9097TIP3 H133600 1.756 -2.503 0.703 + 9097TIP3 H233601 1.843 -2.457 0.588 + 9098TIP3 OH233602 2.316 -2.526 0.616 + 9098TIP3 H133603 2.277 -2.484 0.536 + 9098TIP3 H233604 2.323 -2.449 0.675 + 9099TIP3 OH233605 2.548 -2.654 0.709 + 9099TIP3 H133606 2.464 -2.619 0.675 + 9099TIP3 H233607 2.603 -2.574 0.704 + 9100TIP3 OH233608 2.806 -2.481 0.728 + 9100TIP3 H133609 2.796 -2.386 0.704 + 9100TIP3 H233610 2.829 -2.518 0.641 + 9101TIP3 OH233611 1.521 -2.628 0.494 + 9101TIP3 H133612 1.525 -2.658 0.587 + 9101TIP3 H233613 1.610 -2.653 0.463 + 9102TIP3 OH233614 1.742 -2.742 0.350 + 9102TIP3 H133615 1.733 -2.836 0.375 + 9102TIP3 H233616 1.834 -2.723 0.374 + 9103TIP3 OH233617 2.023 -2.702 0.431 + 9103TIP3 H133618 2.044 -2.794 0.409 + 9103TIP3 H233619 2.032 -2.704 0.527 + 9104TIP3 OH233620 2.357 -4.112 0.362 + 9104TIP3 H133621 2.294 -4.182 0.389 + 9104TIP3 H233622 2.416 -4.161 0.302 + 9105TIP3 OH233623 2.885 -4.330 0.407 + 9105TIP3 H133624 2.945 -4.289 0.342 + 9105TIP3 H233625 2.798 -4.305 0.373 + 9106TIP3 OH233626 3.080 -4.225 0.189 + 9106TIP3 H133627 3.136 -4.246 0.113 + 9106TIP3 H233628 3.099 -4.130 0.201 + 9107TIP3 OH233629 1.593 -4.284 0.091 + 9107TIP3 H133630 1.501 -4.304 0.073 + 9107TIP3 H233631 1.626 -4.365 0.130 + 9108TIP3 OH233632 1.450 -4.291 -0.282 + 9108TIP3 H133633 1.496 -4.244 -0.354 + 9108TIP3 H233634 1.414 -4.217 -0.231 + 9109TIP3 OH233635 2.041 -4.227 0.121 + 9109TIP3 H133636 2.135 -4.235 0.098 + 9109TIP3 H233637 2.029 -4.293 0.189 + 9110TIP3 OH233638 2.599 -4.265 0.257 + 9110TIP3 H133639 2.631 -4.262 0.165 + 9110TIP3 H233640 2.583 -4.359 0.271 + 9111TIP3 OH233641 2.708 -4.272 -0.147 + 9111TIP3 H133642 2.632 -4.213 -0.168 + 9111TIP3 H233643 2.668 -4.360 -0.151 + 9112TIP3 OH233644 1.478 -2.697 -0.180 + 9112TIP3 H133645 1.421 -2.700 -0.258 + 9112TIP3 H233646 1.493 -2.601 -0.173 + 9113TIP3 OH233647 1.642 -4.128 -0.439 + 9113TIP3 H133648 1.713 -4.160 -0.497 + 9113TIP3 H233649 1.694 -4.074 -0.376 + 9114TIP3 OH233650 2.166 -4.061 -0.211 + 9114TIP3 H133651 2.173 -4.143 -0.159 + 9114TIP3 H233652 2.185 -3.991 -0.144 + 9115TIP3 OH233653 2.362 -2.515 -0.365 + 9115TIP3 H133654 2.459 -2.511 -0.371 + 9115TIP3 H233655 2.342 -2.578 -0.435 + 9116TIP3 OH233656 3.015 -2.610 -0.108 + 9116TIP3 H133657 2.989 -2.694 -0.151 + 9116TIP3 H233658 3.004 -2.548 -0.182 + 9117TIP3 OH233659 1.555 -4.179 1.039 + 9117TIP3 H133660 1.510 -4.258 1.072 + 9117TIP3 H233661 1.644 -4.215 1.027 + 9118TIP3 OH233662 1.848 -4.278 1.304 + 9118TIP3 H133663 1.935 -4.305 1.266 + 9118TIP3 H233664 1.825 -4.356 1.355 + 9119TIP3 OH233665 1.635 -2.608 -0.497 + 9119TIP3 H133666 1.617 -2.569 -0.410 + 9119TIP3 H233667 1.718 -2.655 -0.484 + 9120TIP3 OH233668 2.963 -2.734 1.130 + 9120TIP3 H133669 2.889 -2.754 1.069 + 9120TIP3 H233670 2.943 -2.640 1.151 + 9121TIP3 OH233671 4.211 -3.455 0.459 + 9121TIP3 H133672 4.292 -3.430 0.509 + 9121TIP3 H233673 4.245 -3.462 0.369 + 9122TIP3 OH233674 3.514 -3.464 0.618 + 9122TIP3 H133675 3.513 -3.539 0.681 + 9122TIP3 H233676 3.587 -3.410 0.654 + 9123TIP3 OH233677 3.581 -3.000 0.469 + 9123TIP3 H133678 3.556 -3.091 0.443 + 9123TIP3 H233679 3.674 -3.014 0.491 + 9124TIP3 OH233680 3.280 -3.661 0.007 + 9124TIP3 H133681 3.240 -3.573 0.015 + 9124TIP3 H233682 3.207 -3.710 -0.033 + 9125TIP3 OH233683 3.361 -3.413 0.193 + 9125TIP3 H133684 3.375 -3.497 0.241 + 9125TIP3 H233685 3.444 -3.405 0.145 + 9126TIP3 OH233686 4.120 -3.171 0.518 + 9126TIP3 H133687 4.144 -3.246 0.462 + 9126TIP3 H233688 4.203 -3.151 0.562 + 9127TIP3 OH233689 3.742 -3.941 0.269 + 9127TIP3 H133690 3.759 -3.856 0.225 + 9127TIP3 H233691 3.708 -3.993 0.194 + 9128TIP3 OH233692 3.412 -3.662 0.316 + 9128TIP3 H133693 3.473 -3.711 0.374 + 9128TIP3 H233694 3.420 -3.712 0.233 + 9129TIP3 OH233695 3.951 -3.528 0.265 + 9129TIP3 H133696 4.027 -3.581 0.299 + 9129TIP3 H233697 3.902 -3.598 0.217 + 9130TIP3 OH233698 3.622 -4.056 0.685 + 9130TIP3 H133699 3.589 -4.001 0.612 + 9130TIP3 H233700 3.555 -4.036 0.753 + 9131TIP3 OH233701 3.916 -3.276 0.697 + 9131TIP3 H133702 3.843 -3.215 0.722 + 9131TIP3 H233703 3.981 -3.215 0.658 + 9132TIP3 OH233704 3.584 -3.856 0.478 + 9132TIP3 H133705 3.647 -3.795 0.521 + 9132TIP3 H233706 3.640 -3.890 0.405 + 9133TIP3 OH233707 3.715 -3.083 0.769 + 9133TIP3 H133708 3.712 -2.991 0.736 + 9133TIP3 H233709 3.628 -3.089 0.812 + 9134TIP3 OH233710 3.348 -3.112 -0.144 + 9134TIP3 H133711 3.327 -3.063 -0.226 + 9134TIP3 H233712 3.363 -3.041 -0.078 + 9135TIP3 OH233713 4.048 4.380 0.411 + 9135TIP3 H133714 4.042 4.283 0.418 + 9135TIP3 H233715 3.960 4.411 0.439 + 9136TIP3 OH233716 4.267 -3.428 -0.143 + 9136TIP3 H133717 4.198 -3.360 -0.152 + 9136TIP3 H233718 4.330 -3.400 -0.208 + 9137TIP3 OH233719 4.291 -3.579 -0.424 + 9137TIP3 H133720 4.367 -3.584 -0.364 + 9137TIP3 H233721 4.293 -3.662 -0.472 + 9138TIP3 OH233722 3.759 -3.339 0.156 + 9138TIP3 H133723 3.728 -3.382 0.074 + 9138TIP3 H233724 3.823 -3.404 0.190 + 9139TIP3 OH233725 3.898 -2.998 0.431 + 9139TIP3 H133726 3.888 -3.039 0.344 + 9139TIP3 H233727 3.977 -3.045 0.465 + 9140TIP3 OH233728 3.816 -3.457 0.504 + 9140TIP3 H133729 3.875 -3.459 0.427 + 9140TIP3 H233730 3.858 -3.391 0.562 + 9141TIP3 OH233731 3.904 -3.021 0.986 + 9141TIP3 H133732 3.851 -2.957 1.036 + 9141TIP3 H233733 3.840 -3.050 0.918 + 9142TIP3 OH233734 3.595 -3.386 0.901 + 9142TIP3 H133735 3.599 -3.328 0.978 + 9142TIP3 H233736 3.499 -3.398 0.891 + 9143TIP3 OH233737 4.250 -2.815 0.075 + 9143TIP3 H133738 4.299 -2.765 0.143 + 9143TIP3 H233739 4.199 -2.745 0.032 + 9144TIP3 OH233740 3.710 -2.802 1.071 + 9144TIP3 H133741 3.700 -2.803 0.974 + 9144TIP3 H233742 3.622 -2.833 1.102 + 9145TIP3 OH233743 3.650 -3.463 -0.091 + 9145TIP3 H133744 3.630 -3.387 -0.148 + 9145TIP3 H233745 3.583 -3.527 -0.119 + 9146TIP3 OH233746 3.257 -3.196 0.781 + 9146TIP3 H133747 3.212 -3.196 0.695 + 9146TIP3 H233748 3.269 -3.291 0.798 + 9147TIP3 OH233749 3.262 -2.901 0.473 + 9147TIP3 H133750 3.354 -2.933 0.480 + 9147TIP3 H233751 3.256 -2.844 0.551 + 9148TIP3 OH233752 4.172 -2.920 0.936 + 9148TIP3 H133753 4.179 -2.832 0.976 + 9148TIP3 H233754 4.082 -2.949 0.959 + 9149TIP3 OH233755 4.178 -2.534 -0.073 + 9149TIP3 H133756 4.204 -2.538 -0.166 + 9149TIP3 H233757 4.211 -2.449 -0.043 + 9150TIP3 OH233758 3.574 -2.622 0.092 + 9150TIP3 H133759 3.587 -2.670 0.177 + 9150TIP3 H233760 3.493 -2.664 0.060 + 9151TIP3 OH233761 3.474 -3.040 0.907 + 9151TIP3 H133762 3.502 -3.089 0.987 + 9151TIP3 H233763 3.401 -3.095 0.872 + 9152TIP3 OH233764 3.798 -4.221 0.499 + 9152TIP3 H133765 3.716 -4.247 0.454 + 9152TIP3 H233766 3.771 -4.137 0.539 + 9153TIP3 OH233767 4.226 -4.306 0.859 + 9153TIP3 H133768 4.256 -4.315 0.950 + 9153TIP3 H233769 4.133 -4.280 0.870 + 9154TIP3 OH233770 4.225 -3.988 -0.428 + 9154TIP3 H133771 4.164 -4.000 -0.353 + 9154TIP3 H233772 4.186 -4.052 -0.490 + 9155TIP3 OH233773 3.779 -3.714 0.624 + 9155TIP3 H133774 3.717 -3.703 0.698 + 9155TIP3 H233775 3.787 -3.624 0.587 + 9156TIP3 OH233776 3.774 -3.710 0.113 + 9156TIP3 H133777 3.679 -3.718 0.096 + 9156TIP3 H233778 3.810 -3.726 0.023 + 9157TIP3 OH233779 4.278 -3.671 0.062 + 9157TIP3 H133780 4.280 -3.575 0.045 + 9157TIP3 H233781 4.371 -3.695 0.072 + 9158TIP3 OH233782 4.250 -3.626 1.144 + 9158TIP3 H133783 4.193 -3.705 1.156 + 9158TIP3 H233784 4.337 -3.670 1.147 + 9159TIP3 OH233785 3.520 -3.697 0.806 + 9159TIP3 H133786 3.542 -3.668 0.895 + 9159TIP3 H233787 3.478 -3.784 0.823 + 9160TIP3 OH233788 3.859 -3.936 -0.534 + 9160TIP3 H133789 3.822 -3.977 -0.454 + 9160TIP3 H233790 3.782 -3.926 -0.591 + 9161TIP3 OH233791 3.197 -3.955 0.170 + 9161TIP3 H133792 3.254 -3.956 0.249 + 9161TIP3 H233793 3.253 -3.994 0.101 + 9162TIP3 OH233794 3.357 -3.911 -0.257 + 9162TIP3 H133795 3.411 -3.860 -0.322 + 9162TIP3 H233796 3.286 -3.847 -0.240 + 9163TIP3 OH233797 4.351 -3.572 0.748 + 9163TIP3 H133798 4.380 -3.638 0.682 + 9163TIP3 H233799 4.272 -3.616 0.783 + 9164TIP3 OH233800 4.050 -3.970 0.209 + 9164TIP3 H133801 3.957 -3.963 0.236 + 9164TIP3 H233802 4.095 -3.955 0.294 + 9165TIP3 OH233803 3.509 -3.826 0.082 + 9165TIP3 H133804 3.427 -3.799 0.036 + 9165TIP3 H233805 3.535 -3.908 0.035 + 9166TIP3 OH233806 3.869 -3.791 -0.149 + 9166TIP3 H133807 3.966 -3.784 -0.145 + 9166TIP3 H233808 3.844 -3.732 -0.222 + 9167TIP3 OH233809 3.722 -3.670 -0.374 + 9167TIP3 H133810 3.662 -3.694 -0.446 + 9167TIP3 H233811 3.804 -3.654 -0.424 + 9168TIP3 OH233812 3.582 -3.193 1.124 + 9168TIP3 H133813 3.650 -3.186 1.195 + 9168TIP3 H233814 3.502 -3.197 1.180 + 9169TIP3 OH233815 4.139 -3.734 0.356 + 9169TIP3 H133816 4.216 -3.765 0.309 + 9169TIP3 H233817 4.165 -3.746 0.449 + 9170TIP3 OH233818 3.667 -4.066 0.020 + 9170TIP3 H133819 3.621 -4.151 0.031 + 9170TIP3 H233820 3.751 -4.094 -0.020 + 9171TIP3 OH233821 4.049 -3.859 0.628 + 9171TIP3 H133822 3.980 -3.793 0.609 + 9171TIP3 H233823 4.100 -3.815 0.698 + 9172TIP3 OH233824 4.073 -3.225 -0.185 + 9172TIP3 H133825 3.994 -3.270 -0.222 + 9172TIP3 H233826 4.049 -3.214 -0.090 + 9173TIP3 OH233827 4.205 -3.224 0.938 + 9173TIP3 H133828 4.184 -3.234 1.031 + 9173TIP3 H233829 4.214 -3.128 0.927 + 9174TIP3 OH233830 3.580 -3.270 0.393 + 9174TIP3 H133831 3.635 -3.281 0.314 + 9174TIP3 H233832 3.589 -3.356 0.437 + 9175TIP3 OH233833 4.286 -3.082 -0.289 + 9175TIP3 H133834 4.260 -2.993 -0.259 + 9175TIP3 H233835 4.211 -3.135 -0.256 + 9176TIP3 OH233836 3.303 -3.443 0.920 + 9176TIP3 H133837 3.319 -3.489 1.005 + 9176TIP3 H233838 3.244 -3.504 0.873 + 9177TIP3 OH233839 4.002 -3.492 1.122 + 9177TIP3 H133840 3.966 -3.523 1.037 + 9177TIP3 H233841 4.095 -3.518 1.112 + 9178TIP3 OH233842 3.815 -2.942 0.119 + 9178TIP3 H133843 3.858 -2.856 0.106 + 9178TIP3 H233844 3.723 -2.923 0.094 + 9179TIP3 OH233845 3.415 -3.463 -0.420 + 9179TIP3 H133846 3.473 -3.394 -0.381 + 9179TIP3 H233847 3.328 -3.435 -0.388 + 9180TIP3 OH233848 3.995 -3.174 0.079 + 9180TIP3 H133849 3.968 -3.082 0.095 + 9180TIP3 H233850 3.924 -3.223 0.122 + 9181TIP3 OH233851 4.020 -2.743 0.721 + 9181TIP3 H133852 4.079 -2.673 0.686 + 9181TIP3 H233853 4.083 -2.798 0.769 + 9182TIP3 OH233854 3.859 -2.652 0.041 + 9182TIP3 H133855 3.763 -2.637 0.049 + 9182TIP3 H233856 3.895 -2.564 0.063 + 9183TIP3 OH233857 3.437 -3.961 0.879 + 9183TIP3 H133858 3.346 -3.943 0.847 + 9183TIP3 H233859 3.422 -4.047 0.922 + 9184TIP3 OH233860 3.414 -2.802 0.721 + 9184TIP3 H133861 3.440 -2.894 0.735 + 9184TIP3 H233862 3.435 -2.765 0.808 + 9185TIP3 OH233863 3.994 -2.933 -0.577 + 9185TIP3 H133864 4.030 -3.010 -0.626 + 9185TIP3 H233865 3.957 -2.977 -0.499 + 9186TIP3 OH233866 3.887 -2.990 -0.303 + 9186TIP3 H133867 3.934 -3.040 -0.235 + 9186TIP3 H233868 3.899 -2.898 -0.272 + 9187TIP3 OH233869 3.567 -3.241 -0.266 + 9187TIP3 H133870 3.493 -3.203 -0.214 + 9187TIP3 H233871 3.612 -3.160 -0.295 + 9188TIP3 OH233872 4.330 -3.929 0.794 + 9188TIP3 H133873 4.391 -4.003 0.782 + 9188TIP3 H233874 4.269 -3.954 0.722 + 9189TIP3 OH233875 4.169 -2.822 -0.249 + 9189TIP3 H133876 4.088 -2.773 -0.229 + 9189TIP3 H233877 4.209 -2.769 -0.318 + 9190TIP3 OH233878 4.133 -3.868 -0.042 + 9190TIP3 H133879 4.195 -3.796 -0.014 + 9190TIP3 H233880 4.097 -3.889 0.046 + 9191TIP3 OH233881 4.147 -3.763 0.891 + 9191TIP3 H133882 4.184 -3.702 0.956 + 9191TIP3 H233883 4.221 -3.826 0.876 + 9192TIP3 OH233884 4.203 -4.171 0.088 + 9192TIP3 H133885 4.170 -4.084 0.121 + 9192TIP3 H233886 4.269 -4.146 0.021 + 9193TIP3 OH233887 3.895 -2.717 -0.244 + 9193TIP3 H133888 3.889 -2.636 -0.298 + 9193TIP3 H233889 3.882 -2.682 -0.154 + 9194TIP3 OH233890 3.766 -4.050 -0.292 + 9194TIP3 H133891 3.767 -3.968 -0.240 + 9194TIP3 H233892 3.855 -4.084 -0.272 + 9195TIP3 OH233893 3.611 -2.961 -0.389 + 9195TIP3 H133894 3.685 -2.911 -0.349 + 9195TIP3 H233895 3.659 -3.010 -0.456 + 9196TIP3 OH233896 3.424 -3.743 -0.479 + 9196TIP3 H133897 3.436 -3.649 -0.456 + 9196TIP3 H233898 3.337 -3.743 -0.520 + 9197TIP3 OH233899 3.435 -4.242 0.417 + 9197TIP3 H133900 3.476 -4.243 0.330 + 9197TIP3 H233901 3.457 -4.332 0.446 + 9198TIP3 OH233902 3.407 -2.888 0.029 + 9198TIP3 H133903 3.327 -2.838 0.052 + 9198TIP3 H233904 3.441 -2.836 -0.045 + 9199TIP3 OH233905 3.346 -2.597 1.140 + 9199TIP3 H133906 3.404 -2.625 1.213 + 9199TIP3 H233907 3.307 -2.682 1.112 + 9200TIP3 OH233908 3.818 -2.689 1.319 + 9200TIP3 H133909 3.882 -2.758 1.342 + 9200TIP3 H233910 3.790 -2.718 1.231 + 9201TIP3 OH233911 4.230 -2.768 -0.544 + 9201TIP3 H133912 4.147 -2.820 -0.545 + 9201TIP3 H233913 4.294 -2.841 -0.559 + 9202TIP3 OH233914 3.341 -3.235 1.254 + 9202TIP3 H133915 3.350 -3.326 1.221 + 9202TIP3 H233916 3.264 -3.204 1.203 + 9203TIP3 OH233917 3.763 -3.192 -0.543 + 9203TIP3 H133918 3.779 -3.251 -0.468 + 9203TIP3 H233919 3.848 -3.196 -0.589 + 9204TIP3 OH233920 4.007 -3.214 1.187 + 9204TIP3 H133921 3.979 -3.182 1.099 + 9204TIP3 H233922 4.015 -3.310 1.173 + 9205TIP3 OH233923 4.261 -3.060 -0.589 + 9205TIP3 H133924 4.278 -3.050 -0.494 + 9205TIP3 H233925 4.242 -3.155 -0.595 + 9206TIP3 OH233926 3.428 -3.522 1.172 + 9206TIP3 H133927 3.502 -3.585 1.173 + 9206TIP3 H233928 3.422 -3.500 1.266 + 9207TIP3 OH233929 3.871 -3.386 -0.312 + 9207TIP3 H133930 3.809 -3.436 -0.257 + 9207TIP3 H233931 3.902 -3.457 -0.373 + 9208TIP3 OH233932 3.797 -3.604 0.920 + 9208TIP3 H133933 3.739 -3.527 0.934 + 9208TIP3 H233934 3.852 -3.574 0.846 + 9209TIP3 OH233935 3.979 -3.585 -0.481 + 9209TIP3 H133936 3.969 -3.579 -0.578 + 9209TIP3 H233937 4.074 -3.572 -0.471 + 9210TIP3 OH233938 4.283 -3.359 1.287 + 9210TIP3 H133939 4.353 -3.389 1.228 + 9210TIP3 H233940 4.266 -3.440 1.337 + 9211TIP3 OH233941 3.853 -3.879 1.029 + 9211TIP3 H133942 3.863 -3.942 0.957 + 9211TIP3 H233943 3.840 -3.796 0.980 + 9212TIP3 OH233944 3.891 -4.037 0.767 + 9212TIP3 H133945 3.942 -3.978 0.708 + 9212TIP3 H233946 3.800 -4.025 0.734 + 9213TIP3 OH233947 4.068 -3.493 0.804 + 9213TIP3 H133948 4.136 -3.491 0.736 + 9213TIP3 H233949 4.029 -3.405 0.793 + 9214TIP3 OH233950 3.675 -3.698 1.212 + 9214TIP3 H133951 3.622 -3.780 1.209 + 9214TIP3 H233952 3.754 -3.725 1.162 + 9215TIP3 OH233953 3.934 -4.272 0.893 + 9215TIP3 H133954 3.944 -4.183 0.852 + 9215TIP3 H233955 3.844 -4.291 0.865 + 9216TIP3 OH233956 4.106 -3.856 1.184 + 9216TIP3 H133957 4.069 -3.887 1.268 + 9216TIP3 H233958 4.031 -3.875 1.124 + 9217TIP3 OH233959 3.552 -3.959 1.196 + 9217TIP3 H133960 3.526 -4.020 1.124 + 9217TIP3 H233961 3.507 -3.998 1.273 + 9218TIP3 OH233962 4.054 -4.146 1.300 + 9218TIP3 H133963 4.028 -4.228 1.255 + 9218TIP3 H233964 3.970 -4.096 1.303 + 9219TIP3 OH233965 3.956 -2.458 -0.369 + 9219TIP3 H133966 4.053 -2.456 -0.369 + 9219TIP3 H233967 3.937 -2.417 -0.454 + 9220TIP3 OH233968 3.335 -3.021 -0.419 + 9220TIP3 H133969 3.430 -3.002 -0.408 + 9220TIP3 H233970 3.335 -3.098 -0.479 + 9221TIP3 OH233971 3.234 -2.500 0.051 + 9221TIP3 H133972 3.163 -2.537 -0.004 + 9221TIP3 H233973 3.242 -2.569 0.121 + 9222TIP3 OH233974 3.273 -2.698 0.251 + 9222TIP3 H133975 3.243 -2.786 0.281 + 9222TIP3 H233976 3.305 -2.663 0.335 + 9223TIP3 OH233977 3.280 -3.364 0.491 + 9223TIP3 H133978 3.305 -3.359 0.397 + 9223TIP3 H233979 3.367 -3.386 0.531 + 9224TIP3 OH233980 3.267 -3.836 1.147 + 9224TIP3 H133981 3.358 -3.859 1.125 + 9224TIP3 H233982 3.222 -3.921 1.140 + 9225TIP3 OH233983 3.341 -3.990 0.412 + 9225TIP3 H133984 3.372 -4.082 0.421 + 9225TIP3 H233985 3.417 -3.940 0.448 + 9226TIP3 OH233986 3.202 -3.728 0.515 + 9226TIP3 H133987 3.261 -3.733 0.438 + 9226TIP3 H233988 3.240 -3.652 0.562 + 9227TIP3 OH233989 3.256 -4.103 -0.080 + 9227TIP3 H133990 3.161 -4.094 -0.099 + 9227TIP3 H233991 3.295 -4.034 -0.137 + 9228TIP3 OH233992 3.233 -4.126 0.773 + 9228TIP3 H133993 3.233 -4.221 0.799 + 9228TIP3 H233994 3.213 -4.134 0.678 + 9229TIP3 OH233995 3.456 -2.892 1.205 + 9229TIP3 H133996 3.384 -2.900 1.140 + 9229TIP3 H233997 3.408 -2.903 1.289 + 9230TIP3 OH233998 3.740 -2.797 0.772 + 9230TIP3 H133999 3.710 -2.713 0.736 + 9230TIP3 H234000 3.836 -2.789 0.755 + 9231TIP3 OH234001 4.219 -2.633 1.062 + 9231TIP3 H134002 4.205 -2.672 1.150 + 9231TIP3 H234003 4.314 -2.614 1.067 + 9232TIP3 OH234004 3.480 -2.498 0.806 + 9232TIP3 H134005 3.417 -2.440 0.760 + 9232TIP3 H234006 3.439 -2.504 0.893 + 9233TIP3 OH234007 3.730 -2.522 0.665 + 9233TIP3 H134008 3.643 -2.507 0.707 + 9233TIP3 H234009 3.730 -2.457 0.592 + 9234TIP3 OH234010 4.195 -2.548 0.618 + 9234TIP3 H134011 4.178 -2.500 0.535 + 9234TIP3 H234012 4.258 -2.490 0.663 + 9235TIP3 OH234013 3.438 -2.621 0.502 + 9235TIP3 H134014 3.434 -2.673 0.585 + 9235TIP3 H234015 3.510 -2.668 0.455 + 9236TIP3 OH234016 3.636 -2.747 0.345 + 9236TIP3 H134017 3.621 -2.841 0.369 + 9236TIP3 H234018 3.728 -2.734 0.375 + 9237TIP3 OH234019 3.913 -2.698 0.432 + 9237TIP3 H134020 3.935 -2.790 0.408 + 9237TIP3 H234021 3.921 -2.703 0.529 + 9238TIP3 OH234022 4.258 -4.142 0.369 + 9238TIP3 H134023 4.180 -4.198 0.385 + 9238TIP3 H234024 4.288 -4.176 0.284 + 9239TIP3 OH234025 3.478 -4.282 0.093 + 9239TIP3 H134026 3.387 -4.306 0.072 + 9239TIP3 H234027 3.513 -4.365 0.127 + 9240TIP3 OH234028 3.337 -4.291 -0.282 + 9240TIP3 H134029 3.383 -4.245 -0.354 + 9240TIP3 H234030 3.302 -4.216 -0.230 + 9241TIP3 OH234031 3.934 -4.248 0.100 + 9241TIP3 H134032 4.029 -4.225 0.105 + 9241TIP3 H234033 3.919 -4.288 0.186 + 9242TIP3 OH234034 3.381 -2.696 -0.177 + 9242TIP3 H134035 3.316 -2.710 -0.248 + 9242TIP3 H234036 3.378 -2.599 -0.170 + 9243TIP3 OH234037 3.529 -4.124 -0.442 + 9243TIP3 H134038 3.599 -4.163 -0.497 + 9243TIP3 H234039 3.582 -4.074 -0.378 + 9244TIP3 OH234040 4.053 -4.063 -0.217 + 9244TIP3 H134041 4.065 -4.149 -0.172 + 9244TIP3 H234042 4.064 -3.998 -0.145 + 9245TIP3 OH234043 4.263 -2.532 -0.369 + 9245TIP3 H134044 4.352 -2.495 -0.387 + 9245TIP3 H234045 4.249 -2.591 -0.445 + 9246TIP3 OH234046 3.441 -4.178 1.041 + 9246TIP3 H134047 3.395 -4.258 1.071 + 9246TIP3 H234048 3.529 -4.216 1.026 + 9247TIP3 OH234049 3.733 -4.278 1.305 + 9247TIP3 H134050 3.820 -4.304 1.267 + 9247TIP3 H234051 3.708 -4.359 1.351 + 9248TIP3 OH234052 3.524 -2.602 -0.497 + 9248TIP3 H134053 3.498 -2.574 -0.408 + 9248TIP3 H234054 3.600 -2.659 -0.481 + 9249TIP3 OH234055 -3.162 -1.481 0.142 + 9249TIP3 H134056 -3.157 -1.385 0.157 + 9249TIP3 H234057 -3.242 -1.487 0.090 + 9250TIP3 OH234058 -3.266 -1.533 0.451 + 9250TIP3 H134059 -3.265 -1.585 0.534 + 9250TIP3 H234060 -3.288 -1.599 0.384 + 9251TIP3 OH234061 -4.031 -1.577 0.619 + 9251TIP3 H134062 -4.030 -1.651 0.682 + 9251TIP3 H234063 -3.956 -1.524 0.650 + 9252TIP3 OH234064 -2.904 -1.249 0.301 + 9252TIP3 H134065 -2.936 -1.315 0.363 + 9252TIP3 H234066 -2.893 -1.172 0.357 + 9253TIP3 OH234067 -3.958 -1.116 0.470 + 9253TIP3 H134068 -3.982 -1.205 0.439 + 9253TIP3 H234069 -3.861 -1.126 0.480 + 9254TIP3 OH234070 -4.297 -1.737 0.068 + 9254TIP3 H134071 -4.300 -1.653 0.117 + 9254TIP3 H234072 -4.389 -1.762 0.059 + 9255TIP3 OH234073 -4.211 -1.517 0.202 + 9255TIP3 H134074 -4.176 -1.590 0.258 + 9255TIP3 H234075 -4.129 -1.480 0.167 + 9256TIP3 OH234076 -3.419 -1.290 0.514 + 9256TIP3 H134077 -3.380 -1.361 0.460 + 9256TIP3 H234078 -3.338 -1.267 0.565 + 9257TIP3 OH234079 -2.558 -2.131 0.565 + 9257TIP3 H134080 -2.533 -2.078 0.643 + 9257TIP3 H234081 -2.487 -2.108 0.502 + 9258TIP3 OH234082 -3.099 -1.854 0.559 + 9258TIP3 H134083 -3.082 -1.949 0.562 + 9258TIP3 H234084 -3.104 -1.838 0.463 + 9259TIP3 OH234085 -3.803 -2.052 0.267 + 9259TIP3 H134086 -3.784 -1.966 0.222 + 9259TIP3 H234087 -3.834 -2.105 0.191 + 9260TIP3 OH234088 -3.013 -2.034 0.098 + 9260TIP3 H134089 -2.958 -2.075 0.168 + 9260TIP3 H234090 -2.944 -1.992 0.044 + 9261TIP3 OH234091 -4.140 -1.775 0.328 + 9261TIP3 H134092 -4.074 -1.821 0.382 + 9261TIP3 H234093 -4.128 -1.819 0.242 + 9262TIP3 OH234094 -3.592 -1.638 0.261 + 9262TIP3 H134095 -3.521 -1.691 0.302 + 9262TIP3 H234096 -3.644 -1.707 0.216 + 9263TIP3 OH234097 -2.504 -2.005 0.811 + 9263TIP3 H134098 -2.526 -1.914 0.787 + 9263TIP3 H234099 -2.488 -1.994 0.905 + 9264TIP3 OH234100 -3.920 -2.171 0.683 + 9264TIP3 H134101 -3.962 -2.125 0.610 + 9264TIP3 H234102 -3.981 -2.152 0.757 + 9265TIP3 OH234103 -3.173 -1.204 0.025 + 9265TIP3 H134104 -3.211 -1.214 -0.061 + 9265TIP3 H234105 -3.202 -1.114 0.050 + 9266TIP3 OH234106 -3.628 -1.385 0.694 + 9266TIP3 H134107 -3.698 -1.320 0.716 + 9266TIP3 H234108 -3.561 -1.329 0.650 + 9267TIP3 OH234109 -2.832 -2.104 0.307 + 9267TIP3 H134110 -2.864 -2.164 0.375 + 9267TIP3 H234111 -2.768 -2.050 0.357 + 9268TIP3 OH234112 -3.959 -1.965 0.475 + 9268TIP3 H134113 -3.894 -1.909 0.522 + 9268TIP3 H234114 -3.901 -2.002 0.405 + 9269TIP3 OH234115 -3.829 -1.197 0.769 + 9269TIP3 H134116 -3.827 -1.109 0.727 + 9269TIP3 H234117 -3.918 -1.196 0.809 + 9270TIP3 OH234118 -4.185 -1.237 -0.147 + 9270TIP3 H134119 -4.268 -1.217 -0.195 + 9270TIP3 H234120 -4.186 -1.171 -0.075 + 9271TIP3 OH234121 -2.815 -2.198 0.683 + 9271TIP3 H134122 -2.891 -2.156 0.639 + 9271TIP3 H234123 -2.741 -2.174 0.624 + 9272TIP3 OH234124 -3.506 -2.423 0.389 + 9272TIP3 H134125 -3.527 -2.519 0.386 + 9272TIP3 H234126 -3.588 -2.386 0.428 + 9273TIP3 OH234127 -2.865 -1.087 0.029 + 9273TIP3 H134128 -2.936 -1.139 -0.008 + 9273TIP3 H234129 -2.879 -1.102 0.124 + 9274TIP3 OH234130 -3.320 -1.481 -0.153 + 9274TIP3 H134131 -3.369 -1.507 -0.231 + 9274TIP3 H234132 -3.228 -1.501 -0.181 + 9275TIP3 OH234133 -3.277 -1.708 -0.422 + 9275TIP3 H134134 -3.203 -1.680 -0.365 + 9275TIP3 H234135 -3.230 -1.769 -0.481 + 9276TIP3 OH234136 -2.948 -1.534 -0.024 + 9276TIP3 H134137 -3.009 -1.508 0.049 + 9276TIP3 H234138 -2.880 -1.583 0.027 + 9277TIP3 OH234139 -2.958 -1.680 0.863 + 9277TIP3 H134140 -2.964 -1.610 0.930 + 9277TIP3 H234141 -3.010 -1.641 0.791 + 9278TIP3 OH234142 -3.791 -1.458 0.154 + 9278TIP3 H134143 -3.810 -1.502 0.069 + 9278TIP3 H234144 -3.719 -1.512 0.190 + 9279TIP3 OH234145 -3.668 -1.130 0.439 + 9279TIP3 H134146 -3.654 -1.132 0.343 + 9279TIP3 H234147 -3.576 -1.137 0.471 + 9280TIP3 OH234148 -3.729 -1.568 0.504 + 9280TIP3 H134149 -3.670 -1.565 0.426 + 9280TIP3 H234150 -3.688 -1.502 0.563 + 9281TIP3 OH234151 -3.647 -1.144 0.993 + 9281TIP3 H134152 -3.695 -1.069 1.033 + 9281TIP3 H234153 -3.704 -1.165 0.916 + 9282TIP3 OH234154 -3.065 -1.575 -0.273 + 9282TIP3 H134155 -3.011 -1.556 -0.193 + 9282TIP3 H234156 -3.009 -1.531 -0.342 + 9283TIP3 OH234157 -3.957 -1.506 0.906 + 9283TIP3 H134158 -3.946 -1.443 0.979 + 9283TIP3 H234159 -4.053 -1.506 0.893 + 9284TIP3 OH234160 -3.283 -0.916 0.082 + 9284TIP3 H134161 -3.227 -0.893 0.158 + 9284TIP3 H234162 -3.344 -0.841 0.079 + 9285TIP3 OH234163 -3.836 -0.919 1.073 + 9285TIP3 H134164 -3.838 -0.912 0.976 + 9285TIP3 H234165 -3.927 -0.942 1.096 + 9286TIP3 OH234166 -2.706 -2.408 -0.331 + 9286TIP3 H134167 -2.790 -2.400 -0.282 + 9286TIP3 H234168 -2.668 -2.319 -0.321 + 9287TIP3 OH234169 -3.871 -1.571 -0.096 + 9287TIP3 H134170 -3.905 -1.497 -0.148 + 9287TIP3 H234171 -3.934 -1.641 -0.119 + 9288TIP3 OH234172 -4.273 -1.296 0.762 + 9288TIP3 H134173 -4.288 -1.328 0.671 + 9288TIP3 H234174 -4.301 -1.374 0.813 + 9289TIP3 OH234175 -4.285 -1.023 0.462 + 9289TIP3 H134176 -4.195 -1.056 0.474 + 9289TIP3 H234177 -4.296 -0.965 0.538 + 9290TIP3 OH234178 -3.375 -1.040 0.938 + 9290TIP3 H134179 -3.372 -0.950 0.972 + 9290TIP3 H234180 -3.469 -1.064 0.951 + 9291TIP3 OH234181 -3.359 -0.650 -0.082 + 9291TIP3 H134182 -3.339 -0.632 -0.175 + 9291TIP3 H234183 -3.343 -0.565 -0.038 + 9292TIP3 OH234184 -3.979 -0.742 0.097 + 9292TIP3 H134185 -3.945 -0.777 0.182 + 9292TIP3 H234186 -4.059 -0.795 0.086 + 9293TIP3 OH234187 -3.015 -0.713 -0.356 + 9293TIP3 H134188 -2.970 -0.790 -0.395 + 9293TIP3 H234189 -3.013 -0.736 -0.260 + 9294TIP3 OH234190 -3.066 -0.759 -0.070 + 9294TIP3 H134191 -3.159 -0.757 -0.043 + 9294TIP3 H234192 -3.029 -0.810 0.004 + 9295TIP3 OH234193 -2.798 -1.833 1.098 + 9295TIP3 H134194 -2.817 -1.787 1.016 + 9295TIP3 H234195 -2.770 -1.921 1.066 + 9296TIP3 OH234196 -4.076 -1.154 0.917 + 9296TIP3 H134197 -4.040 -1.217 0.981 + 9296TIP3 H234198 -4.147 -1.204 0.872 + 9297TIP3 OH234199 -3.749 -2.310 0.483 + 9297TIP3 H134200 -3.831 -2.317 0.432 + 9297TIP3 H234201 -3.770 -2.235 0.541 + 9298TIP3 OH234202 -3.311 -2.351 0.849 + 9298TIP3 H134203 -3.257 -2.404 0.911 + 9298TIP3 H234204 -3.401 -2.387 0.860 + 9299TIP3 OH234205 -2.999 -1.975 0.889 + 9299TIP3 H134206 -3.048 -1.986 0.972 + 9299TIP3 H234207 -2.994 -1.878 0.879 + 9300TIP3 OH234208 -2.900 -1.479 -0.476 + 9300TIP3 H134209 -2.914 -1.502 -0.569 + 9300TIP3 H234210 -2.805 -1.458 -0.477 + 9301TIP3 OH234211 -3.335 -2.095 -0.427 + 9301TIP3 H134212 -3.377 -2.115 -0.342 + 9301TIP3 H234213 -3.369 -2.167 -0.482 + 9302TIP3 OH234214 -3.766 -1.829 0.620 + 9302TIP3 H134215 -3.815 -1.814 0.702 + 9302TIP3 H234216 -3.752 -1.738 0.587 + 9303TIP3 OH234217 -3.773 -1.822 0.110 + 9303TIP3 H134218 -3.868 -1.835 0.092 + 9303TIP3 H234219 -3.735 -1.840 0.022 + 9304TIP3 OH234220 -3.214 -1.758 -0.019 + 9304TIP3 H134221 -3.254 -1.677 -0.052 + 9304TIP3 H234222 -3.138 -1.770 -0.078 + 9305TIP3 OH234223 -3.288 -1.743 1.130 + 9305TIP3 H134224 -3.339 -1.821 1.159 + 9305TIP3 H234225 -3.200 -1.762 1.166 + 9306TIP3 OH234226 -3.127 -1.827 0.266 + 9306TIP3 H134227 -3.149 -1.766 0.193 + 9306TIP3 H234228 -3.099 -1.905 0.213 + 9307TIP3 OH234229 -4.036 -1.811 0.811 + 9307TIP3 H134230 -3.990 -1.777 0.888 + 9307TIP3 H234231 -4.050 -1.904 0.835 + 9308TIP3 OH234232 -3.690 -2.041 -0.529 + 9308TIP3 H134233 -3.724 -2.088 -0.451 + 9308TIP3 H234234 -3.765 -2.041 -0.589 + 9309TIP3 OH234235 -4.327 -2.051 0.167 + 9309TIP3 H134236 -4.308 -2.072 0.260 + 9309TIP3 H234237 -4.280 -2.122 0.122 + 9310TIP3 OH234238 -4.199 -2.018 -0.242 + 9310TIP3 H134239 -4.146 -1.990 -0.320 + 9310TIP3 H234240 -4.283 -1.974 -0.261 + 9311TIP3 OH234241 -3.220 -1.662 0.712 + 9311TIP3 H134242 -3.168 -1.727 0.662 + 9311TIP3 H234243 -3.240 -1.711 0.793 + 9312TIP3 OH234244 -3.492 -2.063 0.213 + 9312TIP3 H134245 -3.585 -2.069 0.241 + 9312TIP3 H234246 -3.445 -2.079 0.297 + 9313TIP3 OH234247 -4.036 -1.934 0.072 + 9313TIP3 H134248 -4.127 -1.932 0.040 + 9313TIP3 H234249 -4.003 -2.019 0.038 + 9314TIP3 OH234250 -3.672 -1.908 -0.151 + 9314TIP3 H134251 -3.576 -1.903 -0.140 + 9314TIP3 H234252 -3.693 -1.840 -0.217 + 9315TIP3 OH234253 -3.052 -2.149 0.518 + 9315TIP3 H134254 -3.117 -2.148 0.591 + 9315TIP3 H234255 -3.108 -2.181 0.446 + 9316TIP3 OH234256 -3.835 -1.772 -0.374 + 9316TIP3 H134257 -3.882 -1.815 -0.447 + 9316TIP3 H234258 -3.749 -1.754 -0.414 + 9317TIP3 OH234259 -2.752 -0.555 1.165 + 9317TIP3 H134260 -2.722 -0.521 1.080 + 9317TIP3 H234261 -2.672 -0.547 1.219 + 9318TIP3 OH234262 -3.956 -1.314 1.125 + 9318TIP3 H134263 -3.889 -1.308 1.197 + 9318TIP3 H234264 -4.037 -1.297 1.178 + 9319TIP3 OH234265 -3.392 -1.810 0.393 + 9319TIP3 H134266 -3.312 -1.843 0.351 + 9319TIP3 H234267 -3.401 -1.869 0.471 + 9320TIP3 OH234268 -3.873 -2.172 0.021 + 9320TIP3 H134269 -3.914 -2.259 0.026 + 9320TIP3 H234270 -3.790 -2.192 -0.025 + 9321TIP3 OH234271 -3.495 -1.968 0.623 + 9321TIP3 H134272 -3.567 -1.902 0.622 + 9321TIP3 H234273 -3.442 -1.941 0.700 + 9322TIP3 OH234274 -3.062 -2.042 -0.410 + 9322TIP3 H134275 -3.160 -2.040 -0.414 + 9322TIP3 H234276 -3.040 -1.968 -0.349 + 9323TIP3 OH234277 -3.321 -1.332 0.939 + 9323TIP3 H134278 -3.341 -1.350 1.031 + 9323TIP3 H234279 -3.328 -1.235 0.934 + 9324TIP3 OH234280 -2.996 -1.855 -0.208 + 9324TIP3 H134281 -2.912 -1.876 -0.162 + 9324TIP3 H234282 -2.975 -1.770 -0.251 + 9325TIP3 OH234283 -3.979 -1.396 0.380 + 9325TIP3 H134284 -3.909 -1.397 0.312 + 9325TIP3 H234285 -3.956 -1.474 0.433 + 9326TIP3 OH234286 -3.267 -1.202 -0.305 + 9326TIP3 H134287 -3.281 -1.111 -0.269 + 9326TIP3 H234288 -3.301 -1.258 -0.234 + 9327TIP3 OH234289 -4.245 -1.539 0.949 + 9327TIP3 H134290 -4.228 -1.606 1.017 + 9327TIP3 H234291 -4.289 -1.592 0.878 + 9328TIP3 OH234292 -3.542 -1.610 1.118 + 9328TIP3 H134293 -3.571 -1.629 1.027 + 9328TIP3 H234294 -3.448 -1.635 1.111 + 9329TIP3 OH234295 -3.072 -1.090 0.922 + 9329TIP3 H134296 -3.145 -1.057 0.869 + 9329TIP3 H234297 -3.066 -1.027 0.994 + 9330TIP3 OH234298 -2.559 -1.842 -0.214 + 9330TIP3 H134299 -2.597 -1.868 -0.299 + 9330TIP3 H234300 -2.543 -1.747 -0.231 + 9331TIP3 OH234301 -2.720 -1.009 -0.265 + 9331TIP3 H134302 -2.738 -1.043 -0.175 + 9331TIP3 H234303 -2.626 -1.027 -0.275 + 9332TIP3 OH234304 -2.981 -1.474 0.554 + 9332TIP3 H134305 -3.068 -1.481 0.511 + 9332TIP3 H234306 -2.924 -1.527 0.496 + 9333TIP3 OH234307 -3.728 -1.057 0.117 + 9333TIP3 H134308 -3.679 -0.974 0.118 + 9333TIP3 H234309 -3.817 -1.027 0.097 + 9334TIP3 OH234310 -4.154 -1.562 -0.408 + 9334TIP3 H134311 -4.086 -1.503 -0.370 + 9334TIP3 H234312 -4.235 -1.513 -0.389 + 9335TIP3 OH234313 -3.555 -1.288 0.028 + 9335TIP3 H134314 -3.562 -1.198 0.065 + 9335TIP3 H234315 -3.598 -1.339 0.098 + 9336TIP3 OH234316 -3.527 -0.858 0.730 + 9336TIP3 H134317 -3.496 -0.804 0.656 + 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9353TIP3 H134368 -2.838 -2.064 0.936 + 9353TIP3 H234369 -2.702 -2.087 0.878 + 9354TIP3 OH234370 -2.886 -1.691 0.363 + 9354TIP3 H134371 -2.968 -1.738 0.340 + 9354TIP3 H234372 -2.833 -1.761 0.409 + 9355TIP3 OH234373 -3.905 -1.084 -0.369 + 9355TIP3 H134374 -3.853 -1.005 -0.343 + 9355TIP3 H234375 -3.862 -1.108 -0.451 + 9356TIP3 OH234376 -4.114 -1.859 -0.474 + 9356TIP3 H134377 -4.112 -1.765 -0.451 + 9356TIP3 H234378 -4.196 -1.870 -0.522 + 9357TIP3 OH234379 -4.030 -2.359 0.398 + 9357TIP3 H134380 -4.058 -2.364 0.305 + 9357TIP3 H234381 -4.068 -2.442 0.435 + 9358TIP3 OH234382 -4.141 -1.004 0.022 + 9358TIP3 H134383 -4.227 -0.959 0.030 + 9358TIP3 H234384 -4.099 -0.954 -0.049 + 9359TIP3 OH234385 -4.215 -0.719 1.148 + 9359TIP3 H134386 -4.151 -0.720 1.222 + 9359TIP3 H234387 -4.214 -0.814 1.130 + 9360TIP3 OH234388 -3.722 -0.806 1.325 + 9360TIP3 H134389 -3.655 -0.875 1.339 + 9360TIP3 H234390 -3.749 -0.827 1.234 + 9361TIP3 OH234391 -3.309 -0.883 -0.550 + 9361TIP3 H134392 -3.390 -0.934 -0.533 + 9361TIP3 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9403TIP3 H234519 -4.115 -2.047 0.458 + 9404TIP3 OH234520 -4.334 -1.838 0.527 + 9404TIP3 H134521 -4.288 -1.892 0.461 + 9404TIP3 H234522 -4.305 -1.750 0.501 + 9405TIP3 OH234523 -2.527 -2.198 1.121 + 9405TIP3 H134524 -2.614 -2.155 1.117 + 9405TIP3 H234525 -2.531 -2.251 1.039 + 9406TIP3 OH234526 -2.520 -2.173 -0.406 + 9406TIP3 H134527 -2.479 -2.254 -0.440 + 9406TIP3 H234528 -2.442 -2.120 -0.378 + 9407TIP3 OH234529 -4.316 -2.226 -0.118 + 9407TIP3 H134530 -4.398 -2.202 -0.164 + 9407TIP3 H234531 -4.254 -2.160 -0.156 + 9408TIP3 OH234532 -4.291 -2.326 0.715 + 9408TIP3 H134533 -4.359 -2.338 0.786 + 9408TIP3 H234534 -4.339 -2.284 0.642 + 9409TIP3 OH234535 -4.120 -0.975 1.184 + 9409TIP3 H134536 -4.164 -1.039 1.127 + 9409TIP3 H234537 -4.137 -1.012 1.273 + 9410TIP3 OH234538 -3.802 -0.907 0.774 + 9410TIP3 H134539 -3.829 -0.824 0.732 + 9410TIP3 H234540 -3.706 -0.902 0.753 + 9411TIP3 OH234541 -3.361 -0.770 1.080 + 9411TIP3 H134542 -3.331 -0.803 1.166 + 9411TIP3 H234543 -3.276 -0.739 1.041 + 9412TIP3 OH234544 -3.119 -0.674 0.996 + 9412TIP3 H134545 -3.047 -0.730 0.964 + 9412TIP3 H234546 -3.076 -0.623 1.066 + 9413TIP3 OH234547 -2.643 -2.378 0.919 + 9413TIP3 H134548 -2.719 -2.354 0.864 + 9413TIP3 H234549 -2.618 -2.466 0.884 + 9414TIP3 OH234550 -4.073 -0.606 0.799 + 9414TIP3 H134551 -4.139 -0.555 0.748 + 9414TIP3 H234552 -4.106 -0.598 0.888 + 9415TIP3 OH234553 -3.821 -0.637 0.666 + 9415TIP3 H134554 -3.907 -0.612 0.704 + 9415TIP3 H234555 -3.818 -0.588 0.583 + 9416TIP3 OH234556 -3.278 -0.608 0.608 + 9416TIP3 H134557 -3.345 -0.639 0.545 + 9416TIP3 H234558 -3.326 -0.587 0.687 + 9417TIP3 OH234559 -4.119 -0.738 0.490 + 9417TIP3 H134560 -4.127 -0.779 0.578 + 9417TIP3 H234561 -4.037 -0.778 0.457 + 9418TIP3 OH234562 -3.890 -0.851 0.357 + 9418TIP3 H134563 -3.896 -0.944 0.385 + 9418TIP3 H234564 -3.797 -0.829 0.378 + 9419TIP3 OH234565 -3.299 -2.227 0.360 + 9419TIP3 H134566 -3.366 -2.296 0.374 + 9419TIP3 H234567 -3.234 -2.273 0.305 + 9420TIP3 OH234568 -2.802 -2.424 0.408 + 9420TIP3 H134569 -2.724 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9471TIP3 OH234721 -1.710 -2.469 1.094 + 9471TIP3 H134722 -1.646 -2.541 1.081 + 9471TIP3 H234723 -1.724 -2.441 1.001 + 9472TIP3 OH234724 -1.633 -2.315 1.322 + 9472TIP3 H134725 -1.648 -2.349 1.231 + 9472TIP3 H234726 -1.682 -2.231 1.315 + 9473TIP3 OH234727 -0.664 -1.683 1.147 + 9473TIP3 H134728 -0.735 -1.736 1.112 + 9473TIP3 H234729 -0.586 -1.727 1.111 + 9474TIP3 OH234730 -0.817 -1.885 0.488 + 9474TIP3 H134731 -0.736 -1.834 0.474 + 9474TIP3 H234732 -0.843 -1.856 0.577 + 9475TIP3 OH234733 -0.839 -1.779 0.762 + 9475TIP3 H134734 -0.926 -1.746 0.788 + 9475TIP3 H234735 -0.793 -1.695 0.745 + 9476TIP3 OH234736 -2.379 -1.947 1.169 + 9476TIP3 H134737 -2.308 -1.940 1.103 + 9476TIP3 H234738 -2.425 -2.029 1.142 + 9477TIP3 OH234739 -0.580 -2.400 1.289 + 9477TIP3 H134740 -0.541 -2.466 1.229 + 9477TIP3 H234741 -0.584 -2.321 1.232 + 9478TIP3 OH234742 -2.298 -2.111 0.430 + 9478TIP3 H134743 -2.239 -2.188 0.431 + 9478TIP3 H234744 -2.239 -2.037 0.449 + 9479TIP3 OH234745 -0.661 -2.197 1.120 + 9479TIP3 H134746 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0.265 + 9488TIP3 OH234772 -2.207 -2.337 1.063 + 9488TIP3 H134773 -2.231 -2.417 1.111 + 9488TIP3 H234774 -2.118 -2.317 1.096 + 9489TIP3 OH234775 -1.951 -2.395 1.257 + 9489TIP3 H134776 -1.876 -2.426 1.202 + 9489TIP3 H234777 -2.002 -2.476 1.272 + 9490TIP3 OH234778 -1.144 -2.478 1.263 + 9490TIP3 H134779 -1.140 -2.517 1.352 + 9490TIP3 H234780 -1.050 -2.477 1.236 + 9491TIP3 OH234781 1.215 -2.110 0.589 + 9491TIP3 H134782 1.211 -2.030 0.644 + 9491TIP3 H234783 1.274 -2.082 0.516 + 9492TIP3 OH234784 0.755 -2.079 0.062 + 9492TIP3 H134785 0.798 -2.082 0.148 + 9492TIP3 H234786 0.785 -1.993 0.028 + 9493TIP3 OH234787 -0.408 -1.803 0.337 + 9493TIP3 H134788 -0.329 -1.812 0.389 + 9493TIP3 H234789 -0.379 -1.806 0.246 + 9494TIP3 OH234790 0.137 -1.661 0.320 + 9494TIP3 H134791 0.233 -1.664 0.336 + 9494TIP3 H234792 0.129 -1.683 0.227 + 9495TIP3 OH234793 -0.112 -2.164 0.682 + 9495TIP3 H134794 -0.143 -2.095 0.622 + 9495TIP3 H234795 -0.175 -2.155 0.756 + 9496TIP3 OH234796 0.947 -2.127 0.319 + 9496TIP3 H134797 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9505TIP3 OH234823 0.447 -2.116 -0.430 + 9505TIP3 H134824 0.386 -2.092 -0.359 + 9505TIP3 H234825 0.392 -2.170 -0.489 + 9506TIP3 OH234826 0.004 -1.873 0.110 + 9506TIP3 H134827 -0.086 -1.837 0.106 + 9506TIP3 H234828 0.039 -1.840 0.025 + 9507TIP3 OH234829 0.544 -1.761 -0.010 + 9507TIP3 H134830 0.518 -1.668 -0.016 + 9507TIP3 H234831 0.627 -1.764 -0.062 + 9508TIP3 OH234832 0.699 -1.821 0.243 + 9508TIP3 H134833 0.637 -1.760 0.201 + 9508TIP3 H234834 0.658 -1.906 0.228 + 9509TIP3 OH234835 0.086 -2.059 -0.516 + 9509TIP3 H134836 0.027 -2.118 -0.470 + 9509TIP3 H234837 0.022 -2.000 -0.561 + 9510TIP3 OH234838 -0.556 -2.042 0.158 + 9510TIP3 H134839 -0.516 -2.053 0.246 + 9510TIP3 H234840 -0.519 -2.114 0.106 + 9511TIP3 OH234841 -0.450 -2.033 -0.276 + 9511TIP3 H134842 -0.397 -1.995 -0.348 + 9511TIP3 H234843 -0.507 -1.959 -0.253 + 9512TIP3 OH234844 0.194 -2.093 0.223 + 9512TIP3 H134845 0.166 -2.021 0.281 + 9512TIP3 H234846 0.285 -2.107 0.256 + 9513TIP3 OH234847 -0.272 -1.945 0.069 + 9513TIP3 H134848 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-0.257 + 9522TIP3 OH234874 -0.248 -2.361 0.391 + 9522TIP3 H134875 -0.284 -2.359 0.301 + 9522TIP3 H234876 -0.292 -2.439 0.430 + 9523TIP3 OH234877 0.201 -2.365 0.815 + 9523TIP3 H134878 0.183 -2.272 0.795 + 9523TIP3 H234879 0.134 -2.412 0.762 + 9524TIP3 OH234880 0.682 -2.210 1.282 + 9524TIP3 H134881 0.733 -2.272 1.227 + 9524TIP3 H234882 0.727 -2.126 1.265 + 9525TIP3 OH234883 -0.223 -2.049 1.176 + 9525TIP3 H134884 -0.240 -2.125 1.118 + 9525TIP3 H234885 -0.248 -2.082 1.263 + 9526TIP3 OH234886 0.182 -2.457 1.088 + 9526TIP3 H134887 0.237 -2.536 1.083 + 9526TIP3 H234888 0.185 -2.428 0.994 + 9527TIP3 OH234889 0.287 -2.290 1.307 + 9527TIP3 H134890 0.267 -2.345 1.229 + 9527TIP3 H234891 0.214 -2.227 1.301 + 9528TIP3 OH234892 1.004 -1.915 -0.061 + 9528TIP3 H134893 1.031 -2.005 -0.038 + 9528TIP3 H234894 1.089 -1.875 -0.088 + 9529TIP3 OH234895 1.035 -1.876 0.477 + 9529TIP3 H134896 1.128 -1.857 0.492 + 9529TIP3 H234897 0.995 -1.868 0.566 + 9530TIP3 OH234898 -0.504 -1.949 1.106 + 9530TIP3 H134899 -0.412 -1.957 1.137 + 9530TIP3 H234900 -0.547 -2.027 1.144 + 9531TIP3 OH234901 1.302 -2.390 1.284 + 9531TIP3 H134902 1.344 -2.459 1.230 + 9531TIP3 H234903 1.301 -2.314 1.222 + 9532TIP3 OH234904 1.041 -2.237 -0.070 + 9532TIP3 H134905 1.062 -2.243 0.024 + 9532TIP3 H234906 0.957 -2.283 -0.076 + 9533TIP3 OH234907 -0.403 -2.104 0.410 + 9533TIP3 H134908 -0.361 -2.186 0.439 + 9533TIP3 H234909 -0.347 -2.036 0.448 + 9534TIP3 OH234910 1.228 -2.194 1.105 + 9534TIP3 H134911 1.143 -2.150 1.121 + 9534TIP3 H234912 1.209 -2.244 1.024 + 9535TIP3 OH234913 1.244 -2.207 -0.371 + 9535TIP3 H134914 1.264 -2.255 -0.453 + 9535TIP3 H234915 1.298 -2.127 -0.381 + 9536TIP3 OH234916 -0.496 -2.210 -0.066 + 9536TIP3 H134917 -0.591 -2.224 -0.080 + 9536TIP3 H234918 -0.471 -2.158 -0.145 + 9537TIP3 OH234919 -0.526 -2.347 0.719 + 9537TIP3 H134920 -0.587 -2.343 0.794 + 9537TIP3 H234921 -0.564 -2.277 0.662 + 9538TIP3 OH234922 1.115 -2.371 0.918 + 9538TIP3 H134923 1.047 -2.336 0.857 + 9538TIP3 H234924 1.138 -2.455 0.875 + 9539TIP3 OH234925 0.463 -2.226 0.292 + 9539TIP3 H134926 0.411 -2.289 0.345 + 9539TIP3 H234927 0.552 -2.264 0.296 + 9540TIP3 OH234928 1.005 -2.474 0.393 + 9540TIP3 H134929 1.057 -2.396 0.365 + 9540TIP3 H234930 0.915 -2.436 0.384 + 9541TIP3 OH234931 1.172 -2.320 0.193 + 9541TIP3 H134932 1.248 -2.345 0.138 + 9541TIP3 H234933 1.192 -2.226 0.209 + 9542TIP3 OH234934 -0.266 -2.342 0.105 + 9542TIP3 H134935 -0.349 -2.332 0.054 + 9542TIP3 H234936 -0.248 -2.437 0.091 + 9543TIP3 OH234937 -0.407 -2.407 -0.292 + 9543TIP3 H134938 -0.379 -2.348 -0.363 + 9543TIP3 H234939 -0.474 -2.356 -0.247 + 9544TIP3 OH234940 0.720 -2.376 0.265 + 9544TIP3 H134941 0.756 -2.383 0.176 + 9544TIP3 H234942 0.677 -2.462 0.280 + 9545TIP3 OH234943 -0.221 -2.204 -0.457 + 9545TIP3 H134944 -0.177 -2.280 -0.501 + 9545TIP3 H234945 -0.177 -2.202 -0.370 + 9546TIP3 OH234946 0.330 -2.228 -0.167 + 9546TIP3 H134947 0.288 -2.259 -0.086 + 9546TIP3 H234948 0.310 -2.133 -0.161 + 9547TIP3 OH234949 -0.316 -2.329 1.079 + 9547TIP3 H134950 -0.349 -2.414 1.114 + 9547TIP3 H234951 -0.222 -2.334 1.102 + 9548TIP3 OH234952 -0.061 -2.393 1.251 + 9548TIP3 H134953 0.014 -2.429 1.201 + 9548TIP3 H234954 -0.106 -2.473 1.283 + 9549TIP3 OH234955 0.738 -2.487 1.262 + 9549TIP3 H134956 0.751 -2.522 1.352 + 9549TIP3 H234957 0.828 -2.489 1.227 + 9550TIP3 OH234958 2.500 -1.500 0.162 + 9550TIP3 H134959 2.503 -1.403 0.158 + 9550TIP3 H234960 2.425 -1.517 0.105 + 9551TIP3 OH234961 2.376 -1.517 0.462 + 9551TIP3 H134962 2.367 -1.578 0.536 + 9551TIP3 H234963 2.343 -1.569 0.387 + 9552TIP3 OH234964 2.767 -1.264 0.308 + 9552TIP3 H134965 2.709 -1.322 0.360 + 9552TIP3 H234966 2.739 -1.176 0.335 + 9553TIP3 OH234967 3.101 -2.137 0.574 + 9553TIP3 H134968 3.120 -2.070 0.641 + 9553TIP3 H234969 3.157 -2.107 0.500 + 9554TIP3 OH234970 2.562 -1.849 0.561 + 9554TIP3 H134971 2.567 -1.946 0.565 + 9554TIP3 H234972 2.545 -1.834 0.467 + 9555TIP3 OH234973 2.642 -2.033 0.100 + 9555TIP3 H134974 2.702 -2.076 0.164 + 9555TIP3 H234975 2.705 -1.986 0.043 + 9556TIP3 OH234976 3.176 -1.987 0.824 + 9556TIP3 H134977 3.112 -1.921 0.792 + 9556TIP3 H234978 3.137 -2.008 0.910 + 9557TIP3 OH234979 1.734 -2.157 0.677 + 9557TIP3 H134980 1.705 -2.108 0.598 + 9557TIP3 H234981 1.663 -2.136 0.740 + 9558TIP3 OH234982 2.509 -1.257 0.025 + 9558TIP3 H134983 2.482 -1.259 -0.068 + 9558TIP3 H234984 2.513 -1.163 0.044 + 9559TIP3 OH234985 2.833 -2.115 0.302 + 9559TIP3 H134986 2.781 -2.169 0.363 + 9559TIP3 H234987 2.872 -2.049 0.362 + 9560TIP3 OH234988 1.704 -1.994 0.452 + 9560TIP3 H134989 1.735 -1.908 0.483 + 9560TIP3 H234990 1.746 -1.995 0.363 + 9561TIP3 OH234991 2.839 -2.190 0.688 + 9561TIP3 H134992 2.760 -2.157 0.642 + 9561TIP3 H234993 2.908 -2.178 0.620 + 9562TIP3 OH234994 2.154 -2.424 0.402 + 9562TIP3 H134995 2.127 -2.516 0.384 + 9562TIP3 H234996 2.069 -2.382 0.427 + 9563TIP3 OH234997 2.954 -1.216 0.900 + 9563TIP3 H134998 2.921 -1.276 0.831 + 9563TIP3 H234999 2.916 -1.131 0.874 + 9564TIP3 OH235000 2.336 -1.471 -0.145 + 9564TIP3 H135001 2.263 -1.471 -0.208 + 9564TIP3 H235002 2.410 -1.504 -0.197 + 9565TIP3 OH235003 2.358 -1.706 -0.410 + 9565TIP3 H135004 2.441 -1.675 -0.372 + 9565TIP3 H235005 2.387 -1.755 -0.487 + 9566TIP3 OH235006 3.144 -1.585 0.733 + 9566TIP3 H135007 3.059 -1.537 0.735 + 9566TIP3 H235008 3.172 -1.571 0.641 + 9567TIP3 OH235009 2.718 -1.519 -0.041 + 9567TIP3 H135010 2.658 -1.478 0.023 + 9567TIP3 H235011 2.774 -1.572 0.018 + 9568TIP3 OH235012 2.694 -1.671 0.856 + 9568TIP3 H135013 2.688 -1.596 0.917 + 9568TIP3 H235014 2.626 -1.643 0.791 + 9569TIP3 OH235015 2.593 -1.583 -0.279 + 9569TIP3 H135016 2.642 -1.553 -0.199 + 9569TIP3 H235017 2.642 -1.534 -0.349 + 9570TIP3 OH235018 2.954 -2.412 -0.323 + 9570TIP3 H135019 2.863 -2.403 -0.288 + 9570TIP3 H235020 2.985 -2.320 -0.321 + 9571TIP3 OH235021 3.073 -0.943 -0.418 + 9571TIP3 H135022 3.119 -0.861 -0.439 + 9571TIP3 H235023 3.148 -1.006 -0.411 + 9572TIP3 OH235024 3.186 -0.942 1.073 + 9572TIP3 H135025 3.177 -1.032 1.038 + 9572TIP3 H235026 3.094 -0.909 1.051 + 9573TIP3 OH235027 2.910 -1.811 1.093 + 9573TIP3 H135028 2.845 -1.774 1.031 + 9573TIP3 H235029 2.904 -1.906 1.069 + 9574TIP3 OH235030 1.906 -2.303 0.480 + 9574TIP3 H135031 1.826 -2.313 0.425 + 9574TIP3 H235032 1.879 -2.228 0.535 + 9575TIP3 OH235033 2.346 -2.349 0.848 + 9575TIP3 H135034 2.398 -2.404 0.910 + 9575TIP3 H235035 2.255 -2.383 0.858 + 9576TIP3 OH235036 2.671 -1.967 0.909 + 9576TIP3 H135037 2.600 -1.985 0.973 + 9576TIP3 H235038 2.652 -1.876 0.879 + 9577TIP3 OH235039 2.764 -1.470 -0.472 + 9577TIP3 H135040 2.742 -1.492 -0.564 + 9577TIP3 H235041 2.860 -1.453 -0.480 + 9578TIP3 OH235042 2.332 -2.102 -0.425 + 9578TIP3 H135043 2.278 -2.110 -0.344 + 9578TIP3 H235044 2.286 -2.167 -0.482 + 9579TIP3 OH235045 1.896 -1.862 0.657 + 9579TIP3 H135046 1.812 -1.847 0.705 + 9579TIP3 H235047 1.889 -1.800 0.584 + 9580TIP3 OH235048 2.444 -1.752 -0.015 + 9580TIP3 H135049 2.394 -1.681 -0.056 + 9580TIP3 H235050 2.510 -1.773 -0.083 + 9581TIP3 OH235051 2.369 -1.734 1.138 + 9581TIP3 H135052 2.316 -1.811 1.167 + 9581TIP3 H235053 2.458 -1.755 1.174 + 9582TIP3 OH235054 2.532 -1.822 0.268 + 9582TIP3 H135055 2.503 -1.761 0.198 + 9582TIP3 H235056 2.548 -1.903 0.215 + 9583TIP3 OH235057 1.654 -1.802 0.796 + 9583TIP3 H135058 1.640 -1.752 0.877 + 9583TIP3 H235059 1.597 -1.879 0.809 + 9584TIP3 OH235060 1.974 -2.070 -0.527 + 9584TIP3 H135061 1.940 -2.091 -0.437 + 9584TIP3 H235062 1.900 -2.019 -0.563 + 9585TIP3 OH235063 1.314 -2.072 0.171 + 9585TIP3 H135064 1.376 -2.072 0.246 + 9585TIP3 H235065 1.371 -2.093 0.096 + 9586TIP3 OH235066 1.451 -1.996 -0.309 + 9586TIP3 H135067 1.518 -1.935 -0.344 + 9586TIP3 H235068 1.420 -1.946 -0.233 + 9587TIP3 OH235069 2.437 -1.652 0.723 + 9587TIP3 H135070 2.477 -1.723 0.668 + 9587TIP3 H235071 2.384 -1.703 0.786 + 9588TIP3 OH235072 2.137 -2.076 0.215 + 9588TIP3 H135073 2.044 -2.045 0.215 + 9588TIP3 H235074 2.160 -2.069 0.308 + 9589TIP3 OH235075 2.011 -1.925 -0.185 + 9589TIP3 H135076 2.074 -1.901 -0.116 + 9589TIP3 H235077 1.965 -1.843 -0.203 + 9590TIP3 OH235078 2.605 -2.152 0.518 + 9590TIP3 H135079 2.539 -2.147 0.590 + 9590TIP3 H235080 2.547 -2.184 0.446 + 9591TIP3 OH235081 1.684 -1.352 1.166 + 9591TIP3 H135082 1.737 -1.277 1.196 + 9591TIP3 H235083 1.596 -1.313 1.167 + 9592TIP3 OH235084 2.257 -1.788 0.389 + 9592TIP3 H135085 2.322 -1.834 0.334 + 9592TIP3 H235086 2.237 -1.854 0.458 + 9593TIP3 OH235087 2.171 -1.954 0.613 + 9593TIP3 H135088 2.084 -1.912 0.622 + 9593TIP3 H235089 2.216 -1.928 0.696 + 9594TIP3 OH235090 2.918 -1.404 0.672 + 9594TIP3 H135091 2.951 -1.359 0.594 + 9594TIP3 H235092 2.824 -1.415 0.646 + 9595TIP3 OH235093 2.597 -2.037 -0.415 + 9595TIP3 H135094 2.498 -2.045 -0.416 + 9595TIP3 H235095 2.611 -1.966 -0.349 + 9596TIP3 OH235096 2.662 -1.857 -0.204 + 9596TIP3 H135097 2.751 -1.870 -0.168 + 9596TIP3 H235098 2.668 -1.770 -0.247 + 9597TIP3 OH235099 2.104 -1.593 1.130 + 9597TIP3 H135100 2.064 -1.615 1.044 + 9597TIP3 H235101 2.198 -1.587 1.109 + 9598TIP3 OH235102 3.123 -1.855 -0.234 + 9598TIP3 H135103 3.067 -1.873 -0.313 + 9598TIP3 H235104 3.134 -1.759 -0.245 + 9599TIP3 OH235105 3.175 -1.254 1.049 + 9599TIP3 H135106 3.082 -1.228 1.034 + 9599TIP3 H235107 3.203 -1.265 0.957 + 9600TIP3 OH235108 2.669 -1.462 0.517 + 9600TIP3 H135109 2.572 -1.469 0.506 + 9600TIP3 H235110 2.700 -1.536 0.463 + 9601TIP3 OH235111 1.535 -2.074 0.880 + 9601TIP3 H135112 1.443 -2.060 0.857 + 9601TIP3 H235113 1.533 -2.164 0.916 + 9602TIP3 OH235114 2.446 -2.103 0.740 + 9602TIP3 H135115 2.506 -2.084 0.813 + 9602TIP3 H235116 2.394 -2.178 0.774 + 9603TIP3 OH235117 2.521 -2.171 -0.139 + 9603TIP3 H135118 2.521 -2.112 -0.216 + 9603TIP3 H235119 2.550 -2.111 -0.068 + 9604TIP3 OH235120 2.266 -1.973 -0.031 + 9604TIP3 H135121 2.328 -1.900 -0.014 + 9604TIP3 H235122 2.214 -1.977 0.052 + 9605TIP3 OH235123 2.287 -1.850 0.876 + 9605TIP3 H135124 2.297 -1.809 0.963 + 9605TIP3 H235125 2.331 -1.935 0.889 + 9606TIP3 OH235126 2.316 -2.262 0.063 + 9606TIP3 H135127 2.280 -2.187 0.114 + 9606TIP3 H235128 2.376 -2.217 0.001 + 9607TIP3 OH235129 1.867 -2.159 -0.280 + 9607TIP3 H135130 1.861 -2.087 -0.214 + 9607TIP3 H235131 1.944 -2.207 -0.246 + 9608TIP3 OH235132 2.921 -2.072 0.958 + 9608TIP3 H135133 2.825 -2.054 0.951 + 9608TIP3 H235134 2.935 -2.100 0.866 + 9609TIP3 OH235135 2.769 -1.689 0.358 + 9609TIP3 H135136 2.682 -1.727 0.334 + 9609TIP3 H235137 2.810 -1.763 0.407 + 9610TIP3 OH235138 1.636 -2.366 0.397 + 9610TIP3 H135139 1.619 -2.355 0.300 + 9610TIP3 H235140 1.577 -2.440 0.420 + 9611TIP3 OH235141 2.768 -0.891 -0.531 + 9611TIP3 H135142 2.813 -0.954 -0.475 + 9611TIP3 H235143 2.839 -0.858 -0.589 + 9612TIP3 OH235144 2.645 -1.346 0.936 + 9612TIP3 H135145 2.709 -1.293 0.886 + 9612TIP3 H235146 2.567 -1.288 0.932 + 9613TIP3 OH235147 1.505 -1.648 1.171 + 9613TIP3 H135148 1.595 -1.683 1.166 + 9613TIP3 H235149 1.515 -1.579 1.238 + 9614TIP3 OH235150 1.931 -1.692 0.924 + 9614TIP3 H135151 1.861 -1.632 0.952 + 9614TIP3 H235152 1.949 -1.664 0.833 + 9615TIP3 OH235153 2.469 -1.483 1.324 + 9615TIP3 H135154 2.509 -1.439 1.248 + 9615TIP3 H235155 2.398 -1.533 1.283 + 9616TIP3 OH235156 3.032 -1.442 -0.551 + 9616TIP3 H135157 3.021 -1.485 -0.637 + 9616TIP3 H235158 3.022 -1.347 -0.576 + 9617TIP3 OH235159 1.969 -1.988 1.026 + 9617TIP3 H135160 1.970 -2.056 0.956 + 9617TIP3 H235161 1.949 -1.908 0.975 + 9618TIP3 OH235162 1.999 -2.148 0.771 + 9618TIP3 H135163 2.050 -2.094 0.708 + 9618TIP3 H235164 1.908 -2.139 0.737 + 9619TIP3 OH235165 2.613 -1.812 1.285 + 9619TIP3 H135166 2.637 -1.904 1.305 + 9619TIP3 H235167 2.698 -1.767 1.289 + 9620TIP3 OH235168 2.712 -1.524 1.131 + 9620TIP3 H135169 2.671 -1.457 1.071 + 9620TIP3 H235170 2.799 -1.534 1.089 + 9621TIP3 OH235171 1.782 -1.804 1.208 + 9621TIP3 H135172 1.725 -1.883 1.207 + 9621TIP3 H235173 1.862 -1.836 1.163 + 9622TIP3 OH235174 2.071 -2.414 0.811 + 9622TIP3 H135175 2.055 -2.319 0.792 + 9622TIP3 H235176 2.003 -2.455 0.754 + 9623TIP3 OH235177 2.200 -1.960 1.186 + 9623TIP3 H135178 2.161 -1.975 1.274 + 9623TIP3 H235179 2.119 -1.974 1.131 + 9624TIP3 OH235180 2.453 -2.050 1.073 + 9624TIP3 H135181 2.364 -2.042 1.113 + 9624TIP3 H235182 2.496 -2.113 1.133 + 9625TIP3 OH235183 2.646 -2.204 1.252 + 9625TIP3 H135184 2.621 -2.298 1.264 + 9625TIP3 H235185 2.617 -2.163 1.335 + 9626TIP3 OH235186 1.661 -2.063 1.194 + 9626TIP3 H135187 1.633 -2.126 1.125 + 9626TIP3 H235188 1.618 -2.101 1.273 + 9627TIP3 OH235189 2.056 -2.465 1.091 + 9627TIP3 H135190 2.116 -2.541 1.094 + 9627TIP3 H235191 2.051 -2.449 0.995 + 9628TIP3 OH235192 2.150 -2.280 1.279 + 9628TIP3 H135193 2.120 -2.337 1.205 + 9628TIP3 H235194 2.083 -2.210 1.278 + 9629TIP3 OH235195 2.940 -1.202 1.279 + 9629TIP3 H135196 2.845 -1.192 1.299 + 9629TIP3 H235197 2.974 -1.115 1.304 + 9630TIP3 OH235198 3.132 -1.518 0.014 + 9630TIP3 H135199 3.052 -1.560 0.052 + 9630TIP3 H235200 3.184 -1.495 0.093 + 9631TIP3 OH235201 3.148 -1.548 -0.304 + 9631TIP3 H135202 3.090 -1.520 -0.377 + 9631TIP3 H235203 3.126 -1.485 -0.235 + 9632TIP3 OH235204 2.977 -1.814 -0.475 + 9632TIP3 H135205 2.993 -1.754 -0.549 + 9632TIP3 H235206 2.946 -1.895 -0.521 + 9633TIP3 OH235207 2.915 -1.686 0.116 + 9633TIP3 H135208 2.903 -1.780 0.096 + 9633TIP3 H235209 2.870 -1.677 0.203 + 9634TIP3 OH235210 2.974 -1.503 1.030 + 9634TIP3 H135211 3.051 -1.560 1.042 + 9634TIP3 H235212 3.012 -1.416 1.016 + 9635TIP3 OH235213 3.158 -1.691 1.138 + 9635TIP3 H135214 3.068 -1.728 1.128 + 9635TIP3 H235215 3.208 -1.774 1.146 + 9636TIP3 OH235216 2.916 -2.078 -0.555 + 9636TIP3 H135217 2.970 -2.131 -0.494 + 9636TIP3 H235218 2.834 -2.128 -0.566 + 9637TIP3 OH235219 2.902 -1.946 -0.056 + 9637TIP3 H135220 2.922 -2.041 -0.054 + 9637TIP3 H235221 2.981 -1.912 -0.103 + 9638TIP3 OH235222 2.919 -1.894 0.481 + 9638TIP3 H135223 3.014 -1.877 0.481 + 9638TIP3 H235224 2.899 -1.886 0.576 + 9639TIP3 OH235225 2.938 -1.815 0.761 + 9639TIP3 H135226 2.850 -1.783 0.789 + 9639TIP3 H235227 2.986 -1.731 0.751 + 9640TIP3 OH235228 1.364 -1.925 1.170 + 9640TIP3 H135229 1.442 -1.918 1.115 + 9640TIP3 H235230 1.306 -1.982 1.118 + 9641TIP3 OH235231 3.197 -2.402 1.296 + 9641TIP3 H135232 3.233 -2.473 1.240 + 9641TIP3 H235233 3.194 -2.327 1.234 + 9642TIP3 OH235234 2.945 -2.229 -0.063 + 9642TIP3 H135235 2.947 -2.261 0.029 + 9642TIP3 H235236 2.866 -2.276 -0.097 + 9643TIP3 OH235237 1.457 -2.121 0.420 + 9643TIP3 H135238 1.510 -2.203 0.420 + 9643TIP3 H235239 1.526 -2.056 0.437 + 9644TIP3 OH235240 1.349 -1.821 0.508 + 9644TIP3 H135241 1.377 -1.843 0.419 + 9644TIP3 H235242 1.382 -1.731 0.518 + 9645TIP3 OH235243 3.130 -2.200 1.118 + 9645TIP3 H135244 3.042 -2.158 1.123 + 9645TIP3 H235245 3.117 -2.255 1.038 + 9646TIP3 OH235246 3.144 -2.185 -0.391 + 9646TIP3 H135247 3.170 -2.262 -0.444 + 9646TIP3 H235248 3.222 -2.128 -0.396 + 9647TIP3 OH235249 1.353 -2.211 -0.088 + 9647TIP3 H135250 1.262 -2.192 -0.115 + 9647TIP3 H235251 1.405 -2.150 -0.141 + 9648TIP3 OH235252 1.368 -2.313 0.734 + 9648TIP3 H135253 1.298 -2.351 0.788 + 9648TIP3 H235254 1.318 -2.258 0.670 + 9649TIP3 OH235255 3.018 -2.376 0.916 + 9649TIP3 H135256 2.937 -2.356 0.866 + 9649TIP3 H235257 3.038 -2.466 0.882 + 9650TIP3 OH235258 2.368 -2.230 0.373 + 9650TIP3 H135259 2.290 -2.287 0.380 + 9650TIP3 H235260 2.408 -2.263 0.291 + 9651TIP3 OH235261 2.855 -2.424 0.410 + 9651TIP3 H135262 2.929 -2.379 0.366 + 9651TIP3 H235263 2.779 -2.399 0.355 + 9652TIP3 OH235264 3.069 -2.316 0.203 + 9652TIP3 H135265 3.134 -2.355 0.142 + 9652TIP3 H235266 3.092 -2.222 0.203 + 9653TIP3 OH235267 1.593 -2.349 0.132 + 9653TIP3 H135268 1.524 -2.346 0.063 + 9653TIP3 H235269 1.667 -2.386 0.084 + 9654TIP3 OH235270 1.478 -2.405 -0.298 + 9654TIP3 H135271 1.527 -2.336 -0.347 + 9654TIP3 H235272 1.428 -2.350 -0.235 + 9655TIP3 OH235273 2.055 -2.396 0.106 + 9655TIP3 H135274 2.132 -2.339 0.096 + 9655TIP3 H235275 2.029 -2.376 0.197 + 9656TIP3 OH235276 2.615 -2.373 0.251 + 9656TIP3 H135277 2.622 -2.380 0.155 + 9656TIP3 H235278 2.560 -2.450 0.273 + 9657TIP3 OH235279 2.716 -2.369 -0.156 + 9657TIP3 H135280 2.636 -2.313 -0.164 + 9657TIP3 H235281 2.676 -2.457 -0.144 + 9658TIP3 OH235282 1.657 -2.220 -0.458 + 9658TIP3 H135283 1.725 -2.274 -0.502 + 9658TIP3 H235284 1.709 -2.186 -0.382 + 9659TIP3 OH235285 2.170 -2.214 -0.196 + 9659TIP3 H135286 2.182 -2.264 -0.114 + 9659TIP3 H235287 2.161 -2.123 -0.163 + 9660TIP3 OH235288 1.575 -2.330 1.067 + 9660TIP3 H135289 1.536 -2.411 1.105 + 9660TIP3 H235290 1.667 -2.338 1.096 + 9661TIP3 OH235291 1.816 -2.392 1.247 + 9661TIP3 H135292 1.896 -2.427 1.204 + 9661TIP3 H235293 1.778 -2.473 1.286 + 9662TIP3 OH235294 2.625 -2.484 1.262 + 9662TIP3 H135295 2.630 -2.524 1.350 + 9662TIP3 H235296 2.719 -2.486 1.235 + 9663TIP3 OH235297 4.209 -1.566 0.453 + 9663TIP3 H135298 4.283 -1.547 0.514 + 9663TIP3 H235299 4.257 -1.573 0.370 + 9664TIP3 OH235300 3.519 -1.590 0.668 + 9664TIP3 H135301 3.570 -1.648 0.724 + 9664TIP3 H235302 3.583 -1.520 0.647 + 9665TIP3 OH235303 3.593 -1.109 0.459 + 9665TIP3 H135304 3.560 -1.200 0.446 + 9665TIP3 H235305 3.687 -1.124 0.477 + 9666TIP3 OH235306 3.279 -1.768 0.012 + 9666TIP3 H135307 3.233 -1.683 0.011 + 9666TIP3 H235308 3.213 -1.825 -0.029 + 9667TIP3 OH235309 3.356 -1.519 0.201 + 9667TIP3 H135310 3.360 -1.605 0.246 + 9667TIP3 H235311 3.432 -1.523 0.143 + 9668TIP3 OH235312 4.122 -1.288 0.518 + 9668TIP3 H135313 4.153 -1.365 0.467 + 9668TIP3 H235314 4.204 -1.259 0.560 + 9669TIP3 OH235315 3.743 -2.049 0.267 + 9669TIP3 H135316 3.755 -1.965 0.218 + 9669TIP3 H235317 3.711 -2.106 0.194 + 9670TIP3 OH235318 3.420 -1.772 0.317 + 9670TIP3 H135319 3.470 -1.834 0.371 + 9670TIP3 H235320 3.412 -1.821 0.233 + 9671TIP3 OH235321 3.952 -1.643 0.255 + 9671TIP3 H135322 4.026 -1.692 0.298 + 9671TIP3 H235323 3.900 -1.717 0.219 + 9672TIP3 OH235324 3.628 -2.171 0.682 + 9672TIP3 H135325 3.582 -2.132 0.606 + 9672TIP3 H235326 3.561 -2.158 0.752 + 9673TIP3 OH235327 3.910 -1.389 0.693 + 9673TIP3 H135328 3.842 -1.323 0.720 + 9673TIP3 H235329 3.981 -1.331 0.659 + 9674TIP3 OH235330 3.586 -1.966 0.476 + 9674TIP3 H135331 3.656 -1.911 0.513 + 9674TIP3 H235332 3.636 -2.009 0.403 + 9675TIP3 OH235333 3.710 -1.201 0.768 + 9675TIP3 H135334 3.714 -1.112 0.729 + 9675TIP3 H235335 3.623 -1.195 0.812 + 9676TIP3 OH235336 4.044 -2.426 0.398 + 9676TIP3 H135337 4.017 -2.520 0.395 + 9676TIP3 H235338 3.964 -2.384 0.434 + 9677TIP3 OH235339 4.278 -1.690 -0.436 + 9677TIP3 H135340 4.332 -1.715 -0.358 + 9677TIP3 H235341 4.285 -1.770 -0.489 + 9678TIP3 OH235342 3.768 -1.453 0.145 + 9678TIP3 H135343 3.718 -1.500 0.076 + 9678TIP3 H235344 3.815 -1.525 0.192 + 9679TIP3 OH235345 3.896 -1.120 0.435 + 9679TIP3 H135346 3.890 -1.151 0.344 + 9679TIP3 H235347 3.979 -1.160 0.466 + 9680TIP3 OH235348 3.810 -1.576 0.507 + 9680TIP3 H135349 3.871 -1.574 0.432 + 9680TIP3 H235350 3.850 -1.508 0.566 + 9681TIP3 OH235351 3.899 -1.139 0.989 + 9681TIP3 H135352 3.851 -1.069 1.036 + 9681TIP3 H235353 3.837 -1.160 0.917 + 9682TIP3 OH235354 4.239 -0.929 0.079 + 9682TIP3 H135355 4.297 -0.883 0.143 + 9682TIP3 H235356 4.202 -0.855 0.030 + 9683TIP3 OH235357 3.710 -0.921 1.071 + 9683TIP3 H135358 3.704 -0.914 0.974 + 9683TIP3 H235359 3.619 -0.946 1.097 + 9684TIP3 OH235360 3.683 -1.561 -0.103 + 9684TIP3 H135361 3.636 -1.492 -0.154 + 9684TIP3 H235362 3.626 -1.638 -0.121 + 9685TIP3 OH235363 3.261 -1.328 0.784 + 9685TIP3 H135364 3.229 -1.314 0.693 + 9685TIP3 H235365 3.245 -1.423 0.791 + 9686TIP3 OH235366 4.174 -1.037 0.941 + 9686TIP3 H135367 4.182 -0.946 0.973 + 9686TIP3 H235368 4.082 -1.061 0.959 + 9687TIP3 OH235369 4.183 -0.655 -0.074 + 9687TIP3 H135370 4.205 -0.648 -0.168 + 9687TIP3 H235371 4.205 -0.568 -0.038 + 9688TIP3 OH235372 3.470 -1.150 0.900 + 9688TIP3 H135373 3.496 -1.198 0.981 + 9688TIP3 H235374 3.396 -1.204 0.867 + 9689TIP3 OH235375 3.798 -2.306 0.480 + 9689TIP3 H135376 3.717 -2.318 0.428 + 9689TIP3 H235377 3.769 -2.237 0.541 + 9690TIP3 OH235378 4.232 -2.373 0.908 + 9690TIP3 H135379 4.246 -2.445 0.972 + 9690TIP3 H235380 4.142 -2.393 0.877 + 9691TIP3 OH235381 4.233 -2.095 -0.417 + 9691TIP3 H135382 4.170 -2.115 -0.346 + 9691TIP3 H235383 4.205 -2.157 -0.485 + 9692TIP3 OH235384 3.784 -1.829 0.634 + 9692TIP3 H135385 3.706 -1.828 0.690 + 9692TIP3 H235386 3.787 -1.739 0.595 + 9693TIP3 OH235387 3.771 -1.813 0.105 + 9693TIP3 H135388 3.676 -1.833 0.094 + 9693TIP3 H235389 3.806 -1.847 0.020 + 9694TIP3 OH235390 -4.346 -1.780 -0.191 + 9694TIP3 H135391 -4.395 -1.709 -0.147 + 9694TIP3 H235392 -4.271 -1.789 -0.129 + 9695TIP3 OH235393 4.247 -1.740 1.145 + 9695TIP3 H135394 4.195 -1.822 1.159 + 9695TIP3 H235395 4.337 -1.779 1.143 + 9696TIP3 OH235396 3.866 -2.047 -0.532 + 9696TIP3 H135397 3.821 -2.089 -0.456 + 9696TIP3 H235398 3.791 -2.030 -0.592 + 9697TIP3 OH235399 3.208 -2.054 0.169 + 9697TIP3 H135400 3.263 -2.076 0.247 + 9697TIP3 H235401 3.246 -2.107 0.097 + 9698TIP3 OH235402 3.364 -2.019 -0.254 + 9698TIP3 H135403 3.412 -1.973 -0.325 + 9698TIP3 H235404 3.289 -1.959 -0.240 + 9699TIP3 OH235405 4.340 -1.684 0.749 + 9699TIP3 H135406 4.378 -1.745 0.683 + 9699TIP3 H235407 4.274 -1.743 0.788 + 9700TIP3 OH235408 4.050 -2.077 0.212 + 9700TIP3 H135409 3.956 -2.078 0.235 + 9700TIP3 H235410 4.091 -2.071 0.300 + 9701TIP3 OH235411 3.513 -1.935 0.076 + 9701TIP3 H135412 3.426 -1.913 0.039 + 9701TIP3 H235413 3.534 -2.019 0.032 + 9702TIP3 OH235414 3.873 -1.896 -0.144 + 9702TIP3 H135415 3.970 -1.899 -0.151 + 9702TIP3 H235416 3.843 -1.857 -0.229 + 9703TIP3 OH235417 3.724 -1.784 -0.368 + 9703TIP3 H135418 3.662 -1.810 -0.438 + 9703TIP3 H235419 3.799 -1.752 -0.422 + 9704TIP3 OH235420 3.582 -1.345 1.102 + 9704TIP3 H135421 3.651 -1.327 1.168 + 9704TIP3 H235422 3.502 -1.335 1.157 + 9705TIP3 OH235423 4.146 -1.842 0.349 + 9705TIP3 H135424 4.225 -1.888 0.318 + 9705TIP3 H235425 4.158 -1.850 0.446 + 9706TIP3 OH235426 3.686 -2.168 0.016 + 9706TIP3 H135427 3.624 -2.241 0.029 + 9706TIP3 H235428 3.762 -2.213 -0.024 + 9707TIP3 OH235429 4.045 -1.970 0.623 + 9707TIP3 H135430 3.974 -1.905 0.618 + 9707TIP3 H235431 4.102 -1.933 0.693 + 9708TIP3 OH235432 4.187 -1.340 0.937 + 9708TIP3 H135433 4.195 -1.348 1.032 + 9708TIP3 H235434 4.214 -1.249 0.920 + 9709TIP3 OH235435 3.578 -1.396 0.407 + 9709TIP3 H135436 3.624 -1.388 0.322 + 9709TIP3 H235437 3.595 -1.488 0.430 + 9710TIP3 OH235438 4.266 -1.211 -0.278 + 9710TIP3 H135439 4.254 -1.116 -0.256 + 9710TIP3 H235440 4.174 -1.240 -0.277 + 9711TIP3 OH235441 3.992 -1.622 1.100 + 9711TIP3 H135442 3.995 -1.627 1.002 + 9711TIP3 H235443 4.086 -1.638 1.119 + 9712TIP3 OH235444 3.817 -1.061 0.113 + 9712TIP3 H135445 3.859 -0.974 0.114 + 9712TIP3 H235446 3.724 -1.036 0.108 + 9713TIP3 OH235447 3.408 -1.578 -0.416 + 9713TIP3 H135448 3.460 -1.505 -0.380 + 9713TIP3 H235449 3.318 -1.554 -0.386 + 9714TIP3 OH235450 3.981 -1.313 0.033 + 9714TIP3 H135451 3.998 -1.220 0.057 + 9714TIP3 H235452 3.918 -1.335 0.105 + 9715TIP3 OH235453 4.021 -0.857 0.719 + 9715TIP3 H135454 4.077 -0.785 0.683 + 9715TIP3 H235455 4.087 -0.909 0.766 + 9716TIP3 OH235456 3.827 -0.759 0.036 + 9716TIP3 H135457 3.738 -0.743 0.068 + 9716TIP3 H235458 3.873 -0.676 0.063 + 9717TIP3 OH235459 3.446 -2.072 0.881 + 9717TIP3 H135460 3.356 -2.044 0.853 + 9717TIP3 H235461 3.428 -2.159 0.919 + 9718TIP3 OH235462 3.427 -0.900 0.709 + 9718TIP3 H135463 3.443 -0.995 0.705 + 9718TIP3 H235464 3.438 -0.881 0.802 + 9719TIP3 OH235465 3.994 -1.048 -0.575 + 9719TIP3 H135466 4.025 -1.120 -0.634 + 9719TIP3 H235467 3.965 -1.100 -0.498 + 9720TIP3 OH235468 3.925 -1.136 -0.277 + 9720TIP3 H135469 3.925 -1.151 -0.182 + 9720TIP3 H235470 3.916 -1.039 -0.279 + 9721TIP3 OH235471 3.554 -1.337 -0.244 + 9721TIP3 H135472 3.471 -1.301 -0.211 + 9721TIP3 H235473 3.591 -1.258 -0.288 + 9722TIP3 OH235474 4.332 -2.066 0.792 + 9722TIP3 H135475 4.394 -2.139 0.805 + 9722TIP3 H235476 4.273 -2.105 0.726 + 9723TIP3 OH235477 4.169 -0.943 -0.252 + 9723TIP3 H135478 4.091 -0.890 -0.228 + 9723TIP3 H235479 4.215 -0.882 -0.310 + 9724TIP3 OH235480 4.137 -1.947 -0.032 + 9724TIP3 H135481 4.232 -1.939 -0.023 + 9724TIP3 H235482 4.111 -1.983 0.055 + 9725TIP3 OH235483 4.164 -1.874 0.877 + 9725TIP3 H135484 4.189 -1.831 0.960 + 9725TIP3 H235485 4.230 -1.947 0.871 + 9726TIP3 OH235486 4.193 -2.269 0.074 + 9726TIP3 H135487 4.168 -2.191 0.128 + 9726TIP3 H235488 4.272 -2.238 0.027 + 9727TIP3 OH235489 3.889 -0.841 -0.243 + 9727TIP3 H135490 3.891 -0.760 -0.299 + 9727TIP3 H235491 3.873 -0.803 -0.155 + 9728TIP3 OH235492 3.768 -2.162 -0.300 + 9728TIP3 H135493 3.766 -2.090 -0.236 + 9728TIP3 H235494 3.847 -2.213 -0.274 + 9729TIP3 OH235495 3.622 -1.085 -0.374 + 9729TIP3 H135496 3.684 -1.012 -0.357 + 9729TIP3 H235497 3.664 -1.126 -0.451 + 9730TIP3 OH235498 3.424 -1.855 -0.475 + 9730TIP3 H135499 3.429 -1.760 -0.454 + 9730TIP3 H235500 3.341 -1.861 -0.525 + 9731TIP3 OH235501 3.517 -2.352 0.401 + 9731TIP3 H135502 3.498 -2.355 0.305 + 9731TIP3 H235503 3.483 -2.438 0.431 + 9732TIP3 OH235504 3.350 -0.709 1.137 + 9732TIP3 H135505 3.397 -0.743 1.215 + 9732TIP3 H235506 3.296 -0.787 1.110 + 9733TIP3 OH235507 3.811 -0.809 1.323 + 9733TIP3 H135508 3.882 -0.872 1.341 + 9733TIP3 H235509 3.789 -0.832 1.231 + 9734TIP3 OH235510 4.230 -0.883 -0.548 + 9734TIP3 H135511 4.145 -0.931 -0.544 + 9734TIP3 H235512 4.290 -0.958 -0.564 + 9735TIP3 OH235513 3.345 -1.351 1.247 + 9735TIP3 H135514 3.328 -1.446 1.237 + 9735TIP3 H235515 3.270 -1.314 1.195 + 9736TIP3 OH235516 3.766 -1.309 -0.534 + 9736TIP3 H135517 3.773 -1.395 -0.490 + 9736TIP3 H235518 3.846 -1.310 -0.590 + 9737TIP3 OH235519 3.999 -1.332 1.190 + 9737TIP3 H135520 3.982 -1.293 1.102 + 9737TIP3 H235521 4.016 -1.425 1.170 + 9738TIP3 OH235522 4.265 -1.173 -0.586 + 9738TIP3 H135523 4.283 -1.165 -0.491 + 9738TIP3 H235524 4.246 -1.269 -0.594 + 9739TIP3 OH235525 3.721 -1.668 0.900 + 9739TIP3 H135526 3.753 -1.605 0.967 + 9739TIP3 H235527 3.804 -1.682 0.851 + 9740TIP3 OH235528 3.983 -1.668 -0.458 + 9740TIP3 H135529 3.960 -1.670 -0.552 + 9740TIP3 H235530 4.080 -1.668 -0.463 + 9741TIP3 OH235531 4.278 -1.476 1.285 + 9741TIP3 H135532 4.353 -1.501 1.230 + 9741TIP3 H235533 4.270 -1.556 1.339 + 9742TIP3 OH235534 3.856 -1.994 1.031 + 9742TIP3 H135535 3.862 -2.064 0.963 + 9742TIP3 H235536 3.849 -1.916 0.976 + 9743TIP3 OH235537 3.885 -2.143 0.777 + 9743TIP3 H135538 3.936 -2.093 0.710 + 9743TIP3 H235539 3.795 -2.147 0.739 + 9744TIP3 OH235540 4.050 -1.607 0.813 + 9744TIP3 H135541 4.130 -1.617 0.758 + 9744TIP3 H235542 4.025 -1.516 0.790 + 9745TIP3 OH235543 3.655 -1.799 1.170 + 9745TIP3 H135544 3.609 -1.870 1.219 + 9745TIP3 H235545 3.746 -1.834 1.168 + 9746TIP3 OH235546 3.971 -2.409 0.810 + 9746TIP3 H135547 3.946 -2.316 0.793 + 9746TIP3 H235548 3.905 -2.457 0.755 + 9747TIP3 OH235549 4.101 -1.962 1.185 + 9747TIP3 H135550 4.068 -1.994 1.271 + 9747TIP3 H235551 4.028 -1.989 1.127 + 9748TIP3 OH235552 3.536 -2.065 1.193 + 9748TIP3 H135553 3.530 -2.139 1.129 + 9748TIP3 H235554 3.519 -2.112 1.277 + 9749TIP3 OH235555 3.947 -2.462 1.093 + 9749TIP3 H135556 4.004 -2.540 1.098 + 9749TIP3 H235557 3.943 -2.449 0.996 + 9750TIP3 OH235558 4.037 -2.280 1.285 + 9750TIP3 H135559 4.011 -2.339 1.211 + 9750TIP3 H235560 3.968 -2.213 1.281 + 9751TIP3 OH235561 3.957 -0.584 -0.373 + 9751TIP3 H135562 4.052 -0.568 -0.366 + 9751TIP3 H235563 3.936 -0.531 -0.452 + 9752TIP3 OH235564 3.322 -1.131 -0.420 + 9752TIP3 H135565 3.415 -1.115 -0.399 + 9752TIP3 H235566 3.325 -1.210 -0.477 + 9753TIP3 OH235567 3.270 -1.479 0.499 + 9753TIP3 H135568 3.281 -1.459 0.405 + 9753TIP3 H235569 3.362 -1.474 0.530 + 9754TIP3 OH235570 3.283 -1.942 1.134 + 9754TIP3 H135571 3.370 -1.985 1.142 + 9754TIP3 H235572 3.224 -2.020 1.135 + 9755TIP3 OH235573 3.349 -2.108 0.411 + 9755TIP3 H135574 3.390 -2.196 0.419 + 9755TIP3 H235575 3.419 -2.051 0.449 + 9756TIP3 OH235576 3.208 -1.833 0.525 + 9756TIP3 H135577 3.251 -1.851 0.440 + 9756TIP3 H235578 3.247 -1.747 0.547 + 9757TIP3 OH235579 3.250 -2.203 -0.072 + 9757TIP3 H135580 3.156 -2.206 -0.098 + 9757TIP3 H235581 3.290 -2.149 -0.143 + 9758TIP3 OH235582 3.258 -2.317 0.737 + 9758TIP3 H135583 3.187 -2.348 0.796 + 9758TIP3 H235584 3.206 -2.268 0.671 + 9759TIP3 OH235585 3.446 -1.016 1.201 + 9759TIP3 H135586 3.372 -1.008 1.138 + 9759TIP3 H235587 3.401 -1.010 1.285 + 9760TIP3 OH235588 3.748 -0.914 0.779 + 9760TIP3 H135589 3.706 -0.836 0.736 + 9760TIP3 H235590 3.842 -0.897 0.756 + 9761TIP3 OH235591 4.219 -0.749 1.062 + 9761TIP3 H135592 4.206 -0.786 1.150 + 9761TIP3 H235593 4.314 -0.728 1.066 + 9762TIP3 OH235594 3.459 -0.581 0.798 + 9762TIP3 H135595 3.385 -0.552 0.744 + 9762TIP3 H235596 3.416 -0.608 0.880 + 9763TIP3 OH235597 3.725 -0.637 0.670 + 9763TIP3 H135598 3.636 -0.616 0.705 + 9763TIP3 H235599 3.731 -0.574 0.596 + 9764TIP3 OH235600 4.194 -0.660 0.618 + 9764TIP3 H135601 4.178 -0.612 0.535 + 9764TIP3 H235602 4.261 -0.605 0.660 + 9765TIP3 OH235603 3.624 -0.854 0.312 + 9765TIP3 H135604 3.591 -0.930 0.364 + 9765TIP3 H235605 3.698 -0.824 0.368 + 9766TIP3 OH235606 3.908 -0.811 0.430 + 9766TIP3 H135607 3.921 -0.904 0.408 + 9766TIP3 H235608 3.913 -0.813 0.527 + 9767TIP3 OH235609 4.259 -2.254 0.364 + 9767TIP3 H135610 4.180 -2.310 0.377 + 9767TIP3 H235611 4.300 -2.297 0.289 + 9768TIP3 OH235612 3.482 -2.355 0.117 + 9768TIP3 H135613 3.395 -2.366 0.074 + 9768TIP3 H235614 3.521 -2.443 0.103 + 9769TIP3 OH235615 3.369 -2.409 -0.290 + 9769TIP3 H135616 3.412 -2.342 -0.347 + 9769TIP3 H235617 3.317 -2.354 -0.230 + 9770TIP3 OH235618 3.932 -2.368 0.106 + 9770TIP3 H135619 4.027 -2.345 0.098 + 9770TIP3 H235620 3.926 -2.385 0.201 + 9771TIP3 OH235621 3.531 -2.225 -0.449 + 9771TIP3 H135622 3.590 -2.279 -0.504 + 9771TIP3 H235623 3.593 -2.192 -0.382 + 9772TIP3 OH235624 4.079 -2.199 -0.191 + 9772TIP3 H135625 4.067 -2.268 -0.123 + 9772TIP3 H235626 4.049 -2.119 -0.145 + 9773TIP3 OH235627 4.264 -0.650 -0.366 + 9773TIP3 H135628 4.350 -0.608 -0.384 + 9773TIP3 H235629 4.249 -0.704 -0.446 + 9774TIP3 OH235630 3.464 -2.323 1.074 + 9774TIP3 H135631 3.418 -2.404 1.102 + 9774TIP3 H235632 3.555 -2.347 1.094 + 9775TIP3 OH235633 3.702 -2.392 1.247 + 9775TIP3 H135634 3.782 -2.430 1.206 + 9775TIP3 H235635 3.662 -2.472 1.287 + 9776TIP3 OH235636 3.520 -0.725 -0.493 + 9776TIP3 H135637 3.502 -0.680 -0.409 + 9776TIP3 H235638 3.606 -0.766 -0.479 + 9777TIP3 OH235639 -3.161 0.406 0.146 + 9777TIP3 H135640 -3.163 0.503 0.151 + 9777TIP3 H235641 -3.236 0.388 0.088 + 9778TIP3 OH235642 -3.267 0.351 0.456 + 9778TIP3 H135643 -3.272 0.287 0.528 + 9778TIP3 H235644 -3.293 0.295 0.381 + 9779TIP3 OH235645 -4.031 0.308 0.617 + 9779TIP3 H135646 -4.032 0.233 0.680 + 9779TIP3 H235647 -3.957 0.360 0.650 + 9780TIP3 OH235648 -2.903 0.625 0.283 + 9780TIP3 H135649 -2.941 0.551 0.333 + 9780TIP3 H235650 -2.876 0.684 0.354 + 9781TIP3 OH235651 -3.960 0.768 0.471 + 9781TIP3 H135652 -3.988 0.679 0.440 + 9781TIP3 H235653 -3.865 0.753 0.482 + 9782TIP3 OH235654 -4.182 0.190 -0.072 + 9782TIP3 H135655 -4.218 0.267 -0.025 + 9782TIP3 H235656 -4.221 0.119 -0.020 + 9783TIP3 OH235657 -4.211 0.349 0.181 + 9783TIP3 H135658 -4.182 0.281 0.244 + 9783TIP3 H235659 -4.128 0.387 0.150 + 9784TIP3 OH235660 -3.197 1.161 0.340 + 9784TIP3 H135661 -3.141 1.088 0.307 + 9784TIP3 H235662 -3.230 1.125 0.424 + 9785TIP3 OH235663 -3.425 0.599 0.510 + 9785TIP3 H135664 -3.395 0.529 0.449 + 9785TIP3 H235665 -3.342 0.613 0.559 + 9786TIP3 OH235666 -3.092 0.027 0.560 + 9786TIP3 H135667 -3.088 -0.071 0.562 + 9786TIP3 H235668 -3.108 0.041 0.465 + 9787TIP3 OH235669 -3.809 -0.157 0.263 + 9787TIP3 H135670 -3.785 -0.076 0.214 + 9787TIP3 H235671 -3.833 -0.217 0.191 + 9788TIP3 OH235672 -3.020 -0.150 0.104 + 9788TIP3 H135673 -2.970 -0.199 0.171 + 9788TIP3 H235674 -2.951 -0.103 0.055 + 9789TIP3 OH235675 -4.137 0.108 0.322 + 9789TIP3 H135676 -4.076 0.064 0.383 + 9789TIP3 H235677 -4.121 0.056 0.241 + 9790TIP3 OH235678 -3.593 0.244 0.266 + 9790TIP3 H135679 -3.521 0.189 0.303 + 9790TIP3 H235680 -3.642 0.179 0.213 + 9791TIP3 OH235681 -3.921 -0.288 0.690 + 9791TIP3 H135682 -3.956 -0.251 0.607 + 9791TIP3 H235683 -3.985 -0.256 0.755 + 9792TIP3 OH235684 -3.161 0.697 0.017 + 9792TIP3 H135685 -3.206 0.660 -0.060 + 9792TIP3 H235686 -3.216 0.775 0.038 + 9793TIP3 OH235687 -3.622 0.502 0.697 + 9793TIP3 H135688 -3.697 0.560 0.721 + 9793TIP3 H235689 -3.563 0.562 0.648 + 9794TIP3 OH235690 -3.957 -0.078 0.477 + 9794TIP3 H135691 -3.888 -0.023 0.518 + 9794TIP3 H235692 -3.903 -0.120 0.406 + 9795TIP3 OH235693 -3.827 0.688 0.772 + 9795TIP3 H135694 -3.830 0.777 0.732 + 9795TIP3 H235695 -3.917 0.682 0.809 + 9796TIP3 OH235696 -2.842 0.802 0.534 + 9796TIP3 H135697 -2.939 0.812 0.534 + 9796TIP3 H235698 -2.815 0.890 0.503 + 9797TIP3 OH235699 -3.017 0.997 0.196 + 9797TIP3 H135700 -2.973 0.917 0.160 + 9797TIP3 H235701 -2.952 1.066 0.174 + 9798TIP3 OH235702 -2.871 0.781 0.042 + 9798TIP3 H135703 -2.934 0.738 -0.017 + 9798TIP3 H235704 -2.875 0.723 0.120 + 9799TIP3 OH235705 -3.295 0.362 -0.129 + 9799TIP3 H135706 -3.366 0.416 -0.170 + 9799TIP3 H235707 -3.227 0.363 -0.198 + 9800TIP3 OH235708 -3.266 0.177 -0.424 + 9800TIP3 H135709 -3.194 0.207 -0.366 + 9800TIP3 H235710 -3.218 0.116 -0.482 + 9801TIP3 OH235711 -2.946 0.366 -0.027 + 9801TIP3 H135712 -3.014 0.378 0.043 + 9801TIP3 H235713 -2.883 0.306 0.018 + 9802TIP3 OH235714 -2.941 0.194 0.856 + 9802TIP3 H135715 -2.945 0.268 0.918 + 9802TIP3 H235716 -3.010 0.221 0.792 + 9803TIP3 OH235717 -3.784 0.435 0.156 + 9803TIP3 H135718 -3.818 0.400 0.071 + 9803TIP3 H235719 -3.721 0.365 0.182 + 9804TIP3 OH235720 -3.648 0.774 0.432 + 9804TIP3 H135721 -3.662 0.741 0.342 + 9804TIP3 H235722 -3.568 0.725 0.459 + 9805TIP3 OH235723 -3.730 0.317 0.505 + 9805TIP3 H135724 -3.674 0.315 0.424 + 9805TIP3 H235725 -3.684 0.382 0.561 + 9806TIP3 OH235726 -3.131 0.867 0.561 + 9806TIP3 H135727 -3.129 0.933 0.632 + 9806TIP3 H235728 -3.151 0.784 0.607 + 9807TIP3 OH235729 -3.642 0.747 0.988 + 9807TIP3 H135730 -3.695 0.813 1.035 + 9807TIP3 H235731 -3.705 0.719 0.918 + 9808TIP3 OH235732 -3.046 0.308 -0.284 + 9808TIP3 H135733 -3.002 0.332 -0.200 + 9808TIP3 H235734 -2.991 0.356 -0.350 + 9809TIP3 OH235735 -3.954 0.380 0.905 + 9809TIP3 H135736 -3.948 0.441 0.981 + 9809TIP3 H235737 -4.050 0.378 0.890 + 9810TIP3 OH235738 -3.297 0.963 0.078 + 9810TIP3 H135739 -3.258 0.993 0.161 + 9810TIP3 H235740 -3.354 1.037 0.052 + 9811TIP3 OH235741 -3.835 0.963 1.072 + 9811TIP3 H135742 -3.841 0.968 0.975 + 9811TIP3 H235743 -3.927 0.944 1.098 + 9812TIP3 OH235744 -2.696 -0.522 -0.349 + 9812TIP3 H135745 -2.764 -0.532 -0.279 + 9812TIP3 H235746 -2.642 -0.451 -0.314 + 9813TIP3 OH235747 -3.895 0.313 -0.095 + 9813TIP3 H135748 -3.922 0.397 -0.139 + 9813TIP3 H235749 -3.973 0.258 -0.115 + 9814TIP3 OH235750 -4.267 0.591 0.762 + 9814TIP3 H135751 -4.286 0.558 0.672 + 9814TIP3 H235752 -4.306 0.520 0.815 + 9815TIP3 OH235753 -4.284 0.866 0.463 + 9815TIP3 H135754 -4.197 0.826 0.476 + 9815TIP3 H235755 -4.296 0.920 0.541 + 9816TIP3 OH235756 -2.450 0.924 1.041 + 9816TIP3 H135757 -2.466 0.829 1.027 + 9816TIP3 H235758 -2.533 0.952 1.083 + 9817TIP3 OH235759 -3.379 0.852 0.931 + 9817TIP3 H135760 -3.372 0.934 0.983 + 9817TIP3 H235761 -3.469 0.821 0.953 + 9818TIP3 OH235762 -3.359 1.243 -0.063 + 9818TIP3 H135763 -3.354 1.232 -0.160 + 9818TIP3 H235764 -3.333 1.335 -0.049 + 9819TIP3 OH235765 -3.984 1.145 0.092 + 9819TIP3 H135766 -3.962 1.100 0.175 + 9819TIP3 H235767 -4.052 1.083 0.058 + 9820TIP3 OH235768 -3.014 1.172 -0.363 + 9820TIP3 H135769 -2.957 1.108 -0.410 + 9820TIP3 H235770 -3.020 1.131 -0.275 + 9821TIP3 OH235771 -3.079 1.126 -0.072 + 9821TIP3 H135772 -3.176 1.127 -0.063 + 9821TIP3 H235773 -3.060 1.047 -0.019 + 9822TIP3 OH235774 -2.767 0.062 1.085 + 9822TIP3 H135775 -2.814 0.102 1.010 + 9822TIP3 H235776 -2.770 -0.031 1.059 + 9823TIP3 OH235777 -4.074 0.732 0.912 + 9823TIP3 H135778 -4.042 0.671 0.981 + 9823TIP3 H235779 -4.148 0.682 0.870 + 9824TIP3 OH235780 -3.730 -0.373 0.482 + 9824TIP3 H135781 -3.779 -0.437 0.429 + 9824TIP3 H235782 -3.784 -0.362 0.561 + 9825TIP3 OH235783 -3.309 -0.458 0.894 + 9825TIP3 H135784 -3.255 -0.535 0.918 + 9825TIP3 H235785 -3.394 -0.498 0.867 + 9826TIP3 OH235786 -2.945 -0.105 0.916 + 9826TIP3 H135787 -3.021 -0.127 0.973 + 9826TIP3 H235788 -2.973 -0.024 0.871 + 9827TIP3 OH235789 -2.873 0.414 -0.481 + 9827TIP3 H135790 -2.893 0.391 -0.574 + 9827TIP3 H235791 -2.783 0.446 -0.489 + 9828TIP3 OH235792 -3.331 -0.213 -0.425 + 9828TIP3 H135793 -3.379 -0.228 -0.343 + 9828TIP3 H235794 -3.369 -0.282 -0.481 + 9829TIP3 OH235795 -3.757 0.059 0.627 + 9829TIP3 H135796 -3.825 0.067 0.695 + 9829TIP3 H235797 -3.755 0.148 0.586 + 9830TIP3 OH235798 -3.769 0.068 0.108 + 9830TIP3 H135799 -3.864 0.062 0.091 + 9830TIP3 H235800 -3.733 0.048 0.019 + 9831TIP3 OH235801 -3.207 0.123 -0.008 + 9831TIP3 H135802 -3.251 0.203 -0.045 + 9831TIP3 H235803 -3.140 0.105 -0.076 + 9832TIP3 OH235804 -3.284 0.141 1.134 + 9832TIP3 H135805 -3.335 0.063 1.162 + 9832TIP3 H235806 -3.195 0.120 1.168 + 9833TIP3 OH235807 -3.109 0.066 0.267 + 9833TIP3 H135808 -3.145 0.120 0.195 + 9833TIP3 H235809 -3.098 -0.019 0.220 + 9834TIP3 OH235810 -4.025 0.074 0.809 + 9834TIP3 H135811 -3.993 0.109 0.893 + 9834TIP3 H235812 -4.055 -0.015 0.835 + 9835TIP3 OH235813 -3.686 -0.169 -0.536 + 9835TIP3 H135814 -3.721 -0.203 -0.451 + 9835TIP3 H235815 -3.766 -0.155 -0.588 + 9836TIP3 OH235816 -4.327 -0.176 0.173 + 9836TIP3 H135817 -4.302 -0.193 0.266 + 9836TIP3 H235818 -4.272 -0.239 0.126 + 9837TIP3 OH235819 -4.212 -0.115 -0.239 + 9837TIP3 H135820 -4.149 -0.094 -0.310 + 9837TIP3 H235821 -4.295 -0.085 -0.279 + 9838TIP3 OH235822 -3.198 0.226 0.720 + 9838TIP3 H135823 -3.161 0.154 0.664 + 9838TIP3 H235824 -3.241 0.176 0.790 + 9839TIP3 OH235825 -3.487 -0.167 0.222 + 9839TIP3 H135826 -3.581 -0.189 0.238 + 9839TIP3 H235827 -3.446 -0.214 0.297 + 9840TIP3 OH235828 -4.043 -0.055 0.080 + 9840TIP3 H135829 -4.114 -0.044 0.017 + 9840TIP3 H235830 -3.998 -0.135 0.045 + 9841TIP3 OH235831 -3.672 -0.022 -0.150 + 9841TIP3 H135832 -3.575 -0.014 -0.144 + 9841TIP3 H235833 -3.697 0.041 -0.220 + 9842TIP3 OH235834 -3.085 -0.249 0.518 + 9842TIP3 H135835 -3.129 -0.278 0.599 + 9842TIP3 H235836 -3.113 -0.319 0.457 + 9843TIP3 OH235837 -3.824 0.100 -0.375 + 9843TIP3 H135838 -3.882 0.072 -0.447 + 9843TIP3 H235839 -3.743 0.123 -0.422 + 9844TIP3 OH235840 -2.750 1.314 1.182 + 9844TIP3 H135841 -2.727 1.360 1.099 + 9844TIP3 H235842 -2.679 1.345 1.242 + 9845TIP3 OH235843 -3.952 0.576 1.125 + 9845TIP3 H135844 -3.890 0.580 1.200 + 9845TIP3 H235845 -4.037 0.586 1.173 + 9846TIP3 OH235846 -3.381 0.082 0.403 + 9846TIP3 H135847 -3.323 0.029 0.347 + 9846TIP3 H235848 -3.406 0.016 0.471 + 9847TIP3 OH235849 -3.875 -0.285 0.014 + 9847TIP3 H135850 -3.913 -0.372 0.028 + 9847TIP3 H235851 -3.786 -0.309 -0.014 + 9848TIP3 OH235852 -3.483 -0.071 0.618 + 9848TIP3 H135853 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9857TIP3 OH235879 -3.540 0.279 1.120 + 9857TIP3 H135880 -3.578 0.252 1.034 + 9857TIP3 H235881 -3.448 0.250 1.108 + 9858TIP3 OH235882 -3.079 0.829 0.900 + 9858TIP3 H135883 -3.173 0.823 0.874 + 9858TIP3 H235884 -3.088 0.853 0.994 + 9859TIP3 OH235885 -2.532 0.643 1.015 + 9859TIP3 H135886 -2.594 0.623 0.944 + 9859TIP3 H235887 -2.450 0.621 0.965 + 9860TIP3 OH235888 -2.704 0.891 -0.235 + 9860TIP3 H135889 -2.741 0.812 -0.193 + 9860TIP3 H235890 -2.648 0.856 -0.305 + 9861TIP3 OH235891 -2.978 0.414 0.524 + 9861TIP3 H135892 -3.070 0.398 0.495 + 9861TIP3 H235893 -2.933 0.340 0.478 + 9862TIP3 OH235894 -3.730 0.833 0.132 + 9862TIP3 H135895 -3.690 0.916 0.101 + 9862TIP3 H235896 -3.816 0.835 0.088 + 9863TIP3 OH235897 -4.150 0.334 -0.407 + 9863TIP3 H135898 -4.078 0.386 -0.364 + 9863TIP3 H235899 -4.222 0.394 -0.384 + 9864TIP3 OH235900 -3.541 0.601 0.088 + 9864TIP3 H135901 -3.578 0.690 0.096 + 9864TIP3 H235902 -3.614 0.546 0.122 + 9865TIP3 OH235903 -3.527 1.025 0.718 + 9865TIP3 H135904 -3.471 1.098 0.687 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0.788 -0.325 + 9874TIP3 H135931 -3.645 0.727 -0.250 + 9874TIP3 H235932 -3.667 0.874 -0.283 + 9875TIP3 OH235933 -3.218 -0.192 0.779 + 9875TIP3 H135934 -3.131 -0.211 0.818 + 9875TIP3 H235935 -3.261 -0.280 0.785 + 9876TIP3 OH235936 -3.136 -0.279 -0.134 + 9876TIP3 H135937 -3.121 -0.224 -0.213 + 9876TIP3 H235938 -3.095 -0.227 -0.063 + 9877TIP3 OH235939 -3.356 0.970 -0.237 + 9877TIP3 H135940 -3.451 0.990 -0.232 + 9877TIP3 H235941 -3.336 0.990 -0.330 + 9878TIP3 OH235942 -3.405 -0.079 -0.043 + 9878TIP3 H135943 -3.329 -0.019 -0.028 + 9878TIP3 H235944 -3.434 -0.098 0.048 + 9879TIP3 OH235945 -3.386 0.007 0.887 + 9879TIP3 H135946 -3.350 0.063 0.957 + 9879TIP3 H235947 -3.318 -0.063 0.875 + 9880TIP3 OH235948 -3.341 -0.379 0.047 + 9880TIP3 H135949 -3.358 -0.318 0.121 + 9880TIP3 H235950 -3.269 -0.335 -0.001 + 9881TIP3 OH235951 -3.638 1.061 -0.243 + 9881TIP3 H135952 -3.652 1.142 -0.296 + 9881TIP3 H235953 -3.657 1.091 -0.153 + 9882TIP3 OH235954 -3.773 -0.275 -0.295 + 9882TIP3 H135955 -3.768 -0.198 -0.236 + 9882TIP3 H235956 -3.694 -0.325 -0.266 + 9883TIP3 OH235957 -2.874 0.188 0.380 + 9883TIP3 H135958 -2.954 0.147 0.340 + 9883TIP3 H235959 -2.824 0.109 0.405 + 9884TIP3 OH235960 -4.114 0.025 -0.472 + 9884TIP3 H135961 -4.103 0.120 -0.452 + 9884TIP3 H235962 -4.195 0.021 -0.523 + 9885TIP3 OH235963 -2.777 1.086 0.519 + 9885TIP3 H135964 -2.804 1.158 0.459 + 9885TIP3 H235965 -2.681 1.103 0.523 + 9886TIP3 OH235966 -4.041 -0.472 0.405 + 9886TIP3 H135967 -4.054 -0.477 0.308 + 9886TIP3 H235968 -4.071 -0.561 0.434 + 9887TIP3 OH235969 -4.130 0.914 0.035 + 9887TIP3 H135970 -4.226 0.905 0.024 + 9887TIP3 H235971 -4.098 0.881 -0.050 + 9888TIP3 OH235972 -4.215 1.166 1.148 + 9888TIP3 H135973 -4.151 1.166 1.222 + 9888TIP3 H235974 -4.214 1.071 1.131 + 9889TIP3 OH235975 -3.727 1.079 1.321 + 9889TIP3 H135976 -3.657 1.014 1.341 + 9889TIP3 H235977 -3.750 1.053 1.231 + 9890TIP3 OH235978 -3.323 1.002 -0.521 + 9890TIP3 H135979 -3.400 0.942 -0.536 + 9890TIP3 H235980 -3.253 0.951 -0.564 + 9891TIP3 OH235981 -3.061 0.892 1.173 + 9891TIP3 H135982 -3.116 0.824 1.216 + 9891TIP3 H235983 -3.009 0.926 1.248 + 9892TIP3 OH235984 -2.825 1.006 -0.536 + 9892TIP3 H135985 -2.823 0.916 -0.501 + 9892TIP3 H235986 -2.760 1.001 -0.607 + 9893TIP3 OH235987 -4.199 0.572 1.211 + 9893TIP3 H135988 -4.189 0.482 1.176 + 9893TIP3 H235989 -4.285 0.598 1.174 + 9894TIP3 OH235990 -3.777 0.571 -0.562 + 9894TIP3 H135991 -3.776 0.548 -0.468 + 9894TIP3 H235992 -3.684 0.567 -0.586 + 9895TIP3 OH235993 -3.539 0.556 1.188 + 9895TIP3 H135994 -3.569 0.588 1.102 + 9895TIP3 H235995 -3.530 0.460 1.173 + 9896TIP3 OH235996 -3.252 0.710 -0.582 + 9896TIP3 H135997 -3.264 0.704 -0.485 + 9896TIP3 H235998 -3.260 0.615 -0.605 + 9897TIP3 OH235999 -2.952 0.568 0.943 + 9897TIP3 H136000 -2.906 0.565 0.857 + 9897TIP3 H236001 -3.041 0.600 0.917 + 9898TIP3 OH236002 -4.135 0.241 1.188 + 9898TIP3 H136003 -4.054 0.187 1.175 + 9898TIP3 H236004 -4.122 0.271 1.279 + 9899TIP3 OH236005 -3.662 0.386 -0.307 + 9899TIP3 H136006 -3.738 0.349 -0.259 + 9899TIP3 H236007 -3.645 0.317 -0.373 + 9900TIP3 OH236008 -3.751 0.166 0.922 + 9900TIP3 H136009 -3.806 0.246 0.931 + 9900TIP3 H236010 -3.689 0.192 0.851 + 9901TIP3 OH236011 -3.577 0.184 -0.487 + 9901TIP3 H136012 -3.579 0.197 -0.583 + 9901TIP3 H236013 -3.481 0.184 -0.469 + 9902TIP3 OH236014 -3.218 0.435 1.272 + 9902TIP3 H136015 -3.129 0.414 1.239 + 9902TIP3 H236016 -3.246 0.349 1.305 + 9903TIP3 OH236017 -3.688 -0.107 1.033 + 9903TIP3 H136018 -3.680 -0.174 0.962 + 9903TIP3 H236019 -3.704 -0.027 0.980 + 9904TIP3 OH236020 -3.658 -0.254 0.778 + 9904TIP3 H136021 -3.605 -0.217 0.706 + 9904TIP3 H236022 -3.747 -0.259 0.737 + 9905TIP3 OH236023 -3.494 0.289 0.819 + 9905TIP3 H136024 -3.417 0.275 0.761 + 9905TIP3 H236025 -3.532 0.371 0.783 + 9906TIP3 OH236026 -3.040 0.061 1.305 + 9906TIP3 H136027 -3.015 -0.030 1.285 + 9906TIP3 H236028 -2.954 0.105 1.300 + 9907TIP3 OH236029 -2.954 0.350 1.130 + 9907TIP3 H136030 -2.970 0.424 1.068 + 9907TIP3 H236031 -2.860 0.330 1.110 + 9908TIP3 OH236032 -3.878 0.080 1.210 + 9908TIP3 H136033 -3.928 -0.004 1.207 + 9908TIP3 H236034 -3.799 0.056 1.159 + 9909TIP3 OH236035 -3.578 -0.529 0.812 + 9909TIP3 H136036 -3.598 -0.435 0.790 + 9909TIP3 H236037 -3.640 -0.575 0.752 + 9910TIP3 OH236038 -3.454 -0.075 1.203 + 9910TIP3 H136039 -3.512 -0.089 1.280 + 9910TIP3 H236040 -3.520 -0.089 1.131 + 9911TIP3 OH236041 -3.184 -0.162 1.086 + 9911TIP3 H136042 -3.280 -0.166 1.096 + 9911TIP3 H236043 -3.155 -0.227 1.152 + 9912TIP3 OH236044 -3.079 -0.295 1.342 + 9912TIP3 H136045 -3.044 -0.374 1.294 + 9912TIP3 H236046 -3.007 -0.275 1.402 + 9913TIP3 OH236047 -4.004 -0.174 1.195 + 9913TIP3 H136048 -4.016 -0.243 1.127 + 9913TIP3 H236049 -4.033 -0.220 1.276 + 9914TIP3 OH236050 -3.590 -0.572 1.100 + 9914TIP3 H136051 -3.531 -0.650 1.098 + 9914TIP3 H236052 -3.599 -0.557 1.003 + 9915TIP3 OH236053 -3.480 -0.384 1.302 + 9915TIP3 H136054 -3.497 -0.442 1.224 + 9915TIP3 H236055 -3.554 -0.321 1.292 + 9916TIP3 OH236056 -3.601 1.327 -0.369 + 9916TIP3 H136057 -3.504 1.321 -0.369 + 9916TIP3 H236058 -3.619 1.347 -0.462 + 9917TIP3 OH236059 -4.184 0.807 -0.463 + 9917TIP3 H136060 -4.141 0.783 -0.379 + 9917TIP3 H236061 -4.219 0.720 -0.488 + 9918TIP3 OH236062 -4.281 1.086 0.249 + 9918TIP3 H136063 -4.274 0.992 0.274 + 9918TIP3 H236064 -4.242 1.128 0.326 + 9919TIP3 OH236065 -2.507 1.190 0.549 + 9919TIP3 H136066 -2.491 1.202 0.643 + 9919TIP3 H236067 -2.428 1.232 0.511 + 9920TIP3 OH236068 -2.542 1.135 0.840 + 9920TIP3 H136069 -2.574 1.055 0.797 + 9920TIP3 H236070 -2.474 1.096 0.899 + 9921TIP3 OH236071 -2.751 0.722 1.247 + 9921TIP3 H136072 -2.815 0.689 1.314 + 9921TIP3 H236073 -2.681 0.758 1.304 + 9922TIP3 OH236074 -2.539 0.601 0.537 + 9922TIP3 H136075 -2.468 0.575 0.478 + 9922TIP3 H236076 -2.549 0.695 0.512 + 9923TIP3 OH236077 -2.726 0.852 0.811 + 9923TIP3 H136078 -2.770 0.938 0.810 + 9923TIP3 H236079 -2.736 0.825 0.718 + 9924TIP3 OH236080 -2.677 0.070 -0.465 + 9924TIP3 H136081 -2.658 0.120 -0.545 + 9924TIP3 H236082 -2.687 -0.020 -0.500 + 9925TIP3 OH236083 -2.749 0.198 0.091 + 9925TIP3 H136084 -2.734 0.103 0.091 + 9925TIP3 H236085 -2.760 0.217 0.185 + 9926TIP3 OH236086 -4.256 0.437 0.519 + 9926TIP3 H136087 -4.226 0.458 0.430 + 9926TIP3 H236088 -4.176 0.394 0.556 + 9927TIP3 OH236089 -2.673 0.370 1.057 + 9927TIP3 H136090 -2.612 0.294 1.058 + 9927TIP3 H236091 -2.615 0.441 1.027 + 9928TIP3 OH236092 -2.513 0.153 1.163 + 9928TIP3 H136093 -2.573 0.098 1.111 + 9928TIP3 H236094 -2.424 0.118 1.143 + 9929TIP3 OH236095 -2.724 -0.200 -0.536 + 9929TIP3 H136096 -2.690 -0.271 -0.481 + 9929TIP3 H236097 -2.803 -0.241 -0.575 + 9930TIP3 OH236098 -2.757 -0.071 -0.073 + 9930TIP3 H136099 -2.738 -0.165 -0.088 + 9930TIP3 H236100 -2.683 -0.025 -0.115 + 9931TIP3 OH236101 -2.680 0.067 0.746 + 9931TIP3 H136102 -2.772 0.086 0.771 + 9931TIP3 H236103 -2.645 0.153 0.720 + 9932TIP3 OH236104 -4.282 -0.067 1.148 + 9932TIP3 H136105 -4.201 -0.105 1.112 + 9932TIP3 H236106 -4.345 -0.141 1.144 + 9933TIP3 OH236107 -4.194 -0.215 0.444 + 9933TIP3 H136108 -4.159 -0.305 0.439 + 9933TIP3 H236109 -4.113 -0.162 0.457 + 9934TIP3 OH236110 -4.335 0.049 0.526 + 9934TIP3 H136111 -4.295 -0.009 0.460 + 9934TIP3 H236112 -4.309 0.136 0.494 + 9935TIP3 OH236113 -2.539 -0.312 1.121 + 9935TIP3 H136114 -2.628 -0.277 1.117 + 9935TIP3 H236115 -2.527 -0.350 1.033 + 9936TIP3 OH236116 -4.314 -0.343 -0.124 + 9936TIP3 H136117 -4.399 -0.311 -0.159 + 9936TIP3 H236118 -4.255 -0.271 -0.154 + 9937TIP3 OH236119 -2.827 1.210 0.128 + 9937TIP3 H136120 -2.779 1.178 0.050 + 9937TIP3 H236121 -2.753 1.243 0.182 + 9938TIP3 OH236122 -4.292 -0.442 0.716 + 9938TIP3 H136123 -4.363 -0.451 0.785 + 9938TIP3 H236124 -4.336 -0.399 0.641 + 9939TIP3 OH236125 -4.120 0.910 1.183 + 9939TIP3 H136126 -4.165 0.845 1.128 + 9939TIP3 H236127 -4.136 0.874 1.273 + 9940TIP3 OH236128 -3.802 0.977 0.777 + 9940TIP3 H136129 -3.833 1.059 0.735 + 9940TIP3 H236130 -3.707 0.983 0.756 + 9941TIP3 OH236131 -3.351 1.103 1.073 + 9941TIP3 H136132 -3.339 1.089 1.168 + 9941TIP3 H236133 -3.269 1.150 1.049 + 9942TIP3 OH236134 -3.123 1.249 0.997 + 9942TIP3 H136135 -3.055 1.185 0.973 + 9942TIP3 H236136 -3.091 1.280 1.084 + 9943TIP3 OH236137 -4.068 1.282 0.798 + 9943TIP3 H136138 -4.137 1.329 0.748 + 9943TIP3 H236139 -4.103 1.286 0.887 + 9944TIP3 OH236140 -3.816 1.248 0.664 + 9944TIP3 H136141 -3.904 1.264 0.703 + 9944TIP3 H236142 -3.816 1.312 0.590 + 9945TIP3 OH236143 -3.340 1.245 0.616 + 9945TIP3 H136144 -3.381 1.289 0.539 + 9945TIP3 H236145 -3.333 1.320 0.679 + 9946TIP3 OH236146 -3.108 1.116 0.711 + 9946TIP3 H136147 -3.192 1.151 0.676 + 9946TIP3 H236148 -3.051 1.195 0.706 + 9947TIP3 OH236149 -2.857 1.291 0.728 + 9947TIP3 H136150 -2.859 1.385 0.704 + 9947TIP3 H236151 -2.826 1.251 0.645 + 9948TIP3 OH236152 -4.123 1.156 0.496 + 9948TIP3 H136153 -4.132 1.108 0.581 + 9948TIP3 H236154 -4.050 1.106 0.454 + 9949TIP3 OH236155 -3.912 1.031 0.352 + 9949TIP3 H136156 -3.927 0.936 0.369 + 9949TIP3 H236157 -3.819 1.041 0.378 + 9950TIP3 OH236158 -3.625 1.072 0.431 + 9950TIP3 H136159 -3.612 0.979 0.405 + 9950TIP3 H236160 -3.625 1.064 0.527 + 9951TIP3 OH236161 -3.324 -0.364 0.354 + 9951TIP3 H136162 -3.381 -0.437 0.383 + 9951TIP3 H236163 -3.250 -0.412 0.313 + 9952TIP3 OH236164 -4.108 -0.484 0.116 + 9952TIP3 H136165 -4.179 -0.516 0.058 + 9952TIP3 H236166 -4.042 -0.555 0.106 + 9953TIP3 OH236167 -4.183 -0.522 -0.306 + 9953TIP3 H136168 -4.129 -0.456 -0.353 + 9953TIP3 H236169 -4.232 -0.466 -0.243 + 9954TIP3 OH236170 -3.624 -0.449 0.091 + 9954TIP3 H136171 -3.527 -0.452 0.083 + 9954TIP3 H236172 -3.635 -0.504 0.171 + 9955TIP3 OH236173 -3.051 -0.494 0.260 + 9955TIP3 H136174 -3.035 -0.514 0.168 + 9955TIP3 H236175 -3.052 -0.585 0.296 + 9956TIP3 OH236176 -2.908 -0.465 -0.152 + 9956TIP3 H136177 -2.995 -0.424 -0.164 + 9956TIP3 H236178 -2.932 -0.553 -0.118 + 9957TIP3 OH236179 -4.184 1.085 -0.210 + 9957TIP3 H136180 -4.254 1.063 -0.272 + 9957TIP3 H236181 -4.188 1.181 -0.205 + 9958TIP3 OH236182 -4.006 -0.336 -0.448 + 9958TIP3 H136183 -3.947 -0.391 -0.501 + 9958TIP3 H236184 -3.944 -0.304 -0.379 + 9959TIP3 OH236185 -3.496 -0.321 -0.195 + 9959TIP3 H136186 -3.470 -0.383 -0.125 + 9959TIP3 H236187 -3.479 -0.237 -0.149 + 9960TIP3 OH236188 -3.285 1.264 -0.370 + 9960TIP3 H136189 -3.189 1.250 -0.376 + 9960TIP3 H236190 -3.316 1.193 -0.428 + 9961TIP3 OH236191 -2.645 1.158 -0.116 + 9961TIP3 H136192 -2.666 1.071 -0.155 + 9961TIP3 H236193 -2.634 1.213 -0.195 + 9962TIP3 OH236194 -4.080 -0.443 1.071 + 9962TIP3 H136195 -4.123 -0.521 1.109 + 9962TIP3 H236196 -3.987 -0.459 1.094 + 9963TIP3 OH236197 -3.839 -0.504 1.252 + 9963TIP3 H136198 -3.759 -0.536 1.206 + 9963TIP3 H236199 -3.877 -0.587 1.286 + 9964TIP3 OH236200 -4.007 1.183 -0.498 + 9964TIP3 H136201 -4.044 1.191 -0.408 + 9964TIP3 H236202 -3.941 1.113 -0.486 + 9965TIP3 OH236203 -3.013 -0.562 1.268 + 9965TIP3 H136204 -3.008 -0.629 1.339 + 9965TIP3 H236205 -2.925 -0.574 1.225 + 9966TIP3 OH236206 -2.707 1.032 1.125 + 9966TIP3 H136207 -2.778 1.044 1.060 + 9966TIP3 H236208 -2.699 1.124 1.158 + 9967TIP3 OH236209 -1.963 0.965 1.033 + 9967TIP3 H136210 -1.948 0.906 0.958 + 9967TIP3 H236211 -2.033 0.918 1.082 + 9968TIP3 OH236212 -2.397 0.567 0.793 + 9968TIP3 H136213 -2.440 0.563 0.706 + 9968TIP3 H236214 -2.356 0.480 0.801 + 9969TIP3 OH236215 -2.413 0.869 0.491 + 9969TIP3 H136216 -2.322 0.846 0.471 + 9969TIP3 H236217 -2.402 0.941 0.555 + 9970TIP3 OH236218 -2.245 0.961 0.731 + 9970TIP3 H136219 -2.203 0.875 0.739 + 9970TIP3 H236220 -2.207 1.010 0.805 + 9971TIP3 OH236221 -2.317 1.175 1.148 + 9971TIP3 H136222 -2.252 1.146 1.215 + 9971TIP3 H236223 -2.341 1.087 1.112 + 9972TIP3 OH236224 -1.885 1.100 1.311 + 9972TIP3 H136225 -1.814 1.056 1.360 + 9972TIP3 H236226 -1.892 1.048 1.230 + 9973TIP3 OH236227 -2.330 0.522 1.250 + 9973TIP3 H136228 -2.274 0.451 1.213 + 9973TIP3 H236229 -2.374 0.553 1.171 + 9974TIP3 OH236230 -2.436 1.273 0.068 + 9974TIP3 H136231 -2.494 1.232 0.002 + 9974TIP3 H236232 -2.412 1.196 0.123 + 9975TIP3 OH236233 -2.383 1.065 0.241 + 9975TIP3 H136234 -2.404 0.973 0.262 + 9975TIP3 H236235 -2.340 1.095 0.322 + 9976TIP3 OH236236 -2.201 0.900 1.174 + 9976TIP3 H136237 -2.283 0.875 1.128 + 9976TIP3 H236238 -2.195 0.835 1.246 + 9977TIP3 OH236239 -2.166 1.259 0.780 + 9977TIP3 H136240 -2.216 1.333 0.743 + 9977TIP3 H236241 -2.177 1.273 0.874 + 9978TIP3 OH236242 -2.196 1.132 0.486 + 9978TIP3 H136243 -2.201 1.104 0.580 + 9978TIP3 H236244 -2.116 1.086 0.457 + 9979TIP3 OH236245 1.218 -0.073 0.814 + 9979TIP3 H136246 1.133 -0.028 0.804 + 9979TIP3 H236247 1.219 -0.100 0.905 + 9980TIP3 OH236248 1.053 0.388 1.071 + 9980TIP3 H136249 1.115 0.318 1.084 + 9980TIP3 H236250 1.102 0.467 1.093 + 9981TIP3 OH236251 1.283 0.107 1.082 + 9981TIP3 H136252 1.190 0.122 1.103 + 9981TIP3 H236253 1.312 0.055 1.157 + 9982TIP3 OH236254 -0.225 1.197 -0.545 + 9982TIP3 H136255 -0.273 1.210 -0.464 + 9982TIP3 H236256 -0.165 1.125 -0.525 + 9983TIP3 OH236257 2.810 0.810 0.535 + 9983TIP3 H136258 2.717 0.832 0.526 + 9983TIP3 H236259 2.849 0.887 0.490 + 9984TIP3 OH236260 2.935 0.643 0.865 + 9984TIP3 H136261 2.944 0.591 0.784 + 9984TIP3 H236262 2.950 0.734 0.831 + 9985TIP3 OH236263 1.972 0.314 0.530 + 9985TIP3 H136264 1.946 0.317 0.437 + 9985TIP3 H236265 1.914 0.377 0.572 + 9986TIP3 OH236266 3.214 0.932 1.054 + 9986TIP3 H136267 3.205 0.838 1.031 + 9986TIP3 H236268 3.122 0.954 1.079 + 9987TIP3 OH236269 1.631 0.106 0.785 + 9987TIP3 H136270 1.633 0.131 0.876 + 9987TIP3 H236271 1.596 0.016 0.782 + 9988TIP3 OH236272 2.027 -0.161 -0.484 + 9988TIP3 H136273 1.999 -0.248 -0.460 + 9988TIP3 H236274 1.972 -0.140 -0.561 + 9989TIP3 OH236275 1.616 -0.064 0.104 + 9989TIP3 H136276 1.532 -0.034 0.068 + 9989TIP3 H236277 1.641 -0.133 0.044 + 9990TIP3 OH236278 2.910 1.311 1.181 + 9990TIP3 H136279 2.927 1.360 1.099 + 9990TIP3 H236280 2.978 1.347 1.240 + 9991TIP3 OH236281 3.163 0.630 1.044 + 9991TIP3 H136282 3.071 0.651 1.020 + 9991TIP3 H236283 3.201 0.613 0.955 + 9992TIP3 OH236284 2.946 0.881 -0.225 + 9992TIP3 H136285 2.928 0.798 -0.179 + 9992TIP3 H236286 2.997 0.853 -0.301 + 9993TIP3 OH236287 2.756 1.044 0.901 + 9993TIP3 H136288 2.673 1.021 0.856 + 9993TIP3 H236289 2.773 1.133 0.865 + 9994TIP3 OH236290 3.153 1.129 -0.378 + 9994TIP3 H136291 3.216 1.190 -0.418 + 9994TIP3 H236292 3.069 1.174 -0.392 + 9995TIP3 OH236293 2.872 1.085 0.509 + 9995TIP3 H136294 2.848 1.160 0.451 + 9995TIP3 H236295 2.966 1.106 0.524 + 9996TIP3 OH236296 2.602 0.896 1.206 + 9996TIP3 H136297 2.564 0.811 1.227 + 9996TIP3 H236298 2.661 0.912 1.282 + 9997TIP3 OH236299 2.618 0.554 0.900 + 9997TIP3 H136300 2.708 0.588 0.892 + 9997TIP3 H236301 2.569 0.627 0.939 + 9998TIP3 OH236302 2.710 0.363 1.108 + 9998TIP3 H136303 2.661 0.410 1.038 + 9998TIP3 H236304 2.799 0.358 1.069 + 9999TIP3 OH236305 3.144 1.198 0.552 + 9999TIP3 H136306 3.158 1.197 0.647 + 9999TIP3 H236307 3.230 1.226 0.519 + 1000TIP3 OH236308 3.129 1.142 0.839 + 1000TIP3 H136309 3.078 1.067 0.803 + 1000TIP3 H236310 3.186 1.095 0.902 + 1000TIP3 OH236311 2.930 0.684 1.271 + 1000TIP3 H136312 2.842 0.696 1.309 + 1000TIP3 H236313 2.976 0.766 1.298 + 1000TIP3 OH236314 3.108 0.612 0.554 + 1000TIP3 H136315 3.171 0.579 0.489 + 1000TIP3 H236316 3.091 0.701 0.521 + 1000TIP3 OH236317 2.957 0.904 0.766 + 1000TIP3 H136318 2.884 0.950 0.813 + 1000TIP3 H236319 2.914 0.880 0.682 + 1000TIP3 OH236320 2.977 0.380 1.044 + 1000TIP3 H136321 3.058 0.328 1.031 + 1000TIP3 H236322 3.007 0.467 1.012 + 1000TIP3 OH236323 3.175 0.211 1.134 + 1000TIP3 H136324 3.086 0.179 1.148 + 1000TIP3 H236325 3.228 0.128 1.138 + 1000TIP3 OH236326 3.188 -0.516 1.293 + 1000TIP3 H136327 3.206 -0.594 1.237 + 1000TIP3 H236328 3.186 -0.447 1.225 + 1000TIP3 OH236329 1.322 0.090 0.474 + 1000TIP3 H136330 1.343 0.013 0.419 + 1000TIP3 H236331 1.393 0.088 0.538 + 1000TIP3 OH236332 3.136 -0.327 1.078 + 1000TIP3 H136333 3.044 -0.322 1.106 + 1000TIP3 H236334 3.131 -0.405 1.019 + 1000TIP3 OH236335 2.812 1.172 0.119 + 1000TIP3 H136336 2.872 1.142 0.050 + 1000TIP3 H236337 2.867 1.224 0.177 + 1001TIP3 OH236338 2.496 1.224 0.995 + 1001TIP3 H136339 2.562 1.156 0.976 + 1001TIP3 H236340 2.521 1.252 1.084 + 1001TIP3 OH236341 1.564 1.273 0.786 + 1001TIP3 H136342 1.481 1.315 0.759 + 1001TIP3 H236343 1.555 1.278 0.883 + 1001TIP3 OH236344 1.856 1.239 0.690 + 1001TIP3 H136345 1.763 1.223 0.716 + 1001TIP3 H236346 1.848 1.267 0.598 + 1001TIP3 OH236347 2.328 1.242 0.601 + 1001TIP3 H136348 2.291 1.297 0.531 + 1001TIP3 H236349 2.319 1.301 0.678 + 1001TIP3 OH236350 2.546 1.089 0.705 + 1001TIP3 H136351 2.462 1.120 0.666 + 1001TIP3 H236352 2.600 1.168 0.689 + 1001TIP3 OH236353 2.801 1.286 0.731 + 1001TIP3 H136354 2.787 1.379 0.706 + 1001TIP3 H236355 2.826 1.249 0.644 + 1001TIP3 OH236356 3.011 1.161 -0.105 + 1001TIP3 H136357 2.994 1.073 -0.145 + 1001TIP3 H236358 3.013 1.217 -0.184 + 1001TIP3 OH236359 2.955 1.034 1.130 + 1001TIP3 H136360 2.880 1.015 1.072 + 1001TIP3 H236361 2.941 1.129 1.148 + 1001TIP3 OH236362 4.212 0.315 0.456 + 1001TIP3 H136363 4.291 0.341 0.508 + 1001TIP3 H236364 4.248 0.311 0.367 + 1001TIP3 OH236365 3.495 0.327 0.613 + 1001TIP3 H136366 3.492 0.244 0.662 + 1001TIP3 H236367 3.578 0.366 0.640 + 1002TIP3 OH236368 3.579 0.763 0.467 + 1002TIP3 H136369 3.554 0.675 0.433 + 1002TIP3 H236370 3.673 0.748 0.485 + 1002TIP3 OH236371 4.120 0.600 0.520 + 1002TIP3 H136372 4.145 0.527 0.461 + 1002TIP3 H236373 4.205 0.621 0.560 + 1002TIP3 OH236374 3.740 -0.175 0.273 + 1002TIP3 H136375 3.761 -0.090 0.230 + 1002TIP3 H236376 3.708 -0.226 0.196 + 1002TIP3 OH236377 3.385 0.126 0.324 + 1002TIP3 H136378 3.408 0.071 0.399 + 1002TIP3 H236379 3.379 0.064 0.251 + 1002TIP3 OH236380 3.944 0.241 0.268 + 1002TIP3 H136381 4.023 0.195 0.303 + 1002TIP3 H236382 3.903 0.168 0.218 + 1002TIP3 OH236383 3.625 -0.280 0.681 + 1002TIP3 H136384 3.582 -0.235 0.605 + 1002TIP3 H236385 3.559 -0.266 0.750 + 1002TIP3 OH236386 3.917 0.495 0.699 + 1002TIP3 H136387 3.844 0.556 0.722 + 1002TIP3 H236388 3.981 0.555 0.657 + 1002TIP3 OH236389 3.560 -0.094 0.481 + 1002TIP3 H136390 3.623 -0.029 0.515 + 1002TIP3 H236391 3.609 -0.128 0.403 + 1002TIP3 OH236392 3.717 0.689 0.769 + 1002TIP3 H136393 3.712 0.780 0.735 + 1002TIP3 H236394 3.629 0.681 0.810 + 1002TIP3 OH236395 4.036 -0.539 0.398 + 1002TIP3 H136396 4.012 -0.634 0.397 + 1002TIP3 H236397 3.953 -0.500 0.432 + 1003TIP3 OH236398 4.265 0.340 -0.143 + 1003TIP3 H136399 4.200 0.412 -0.159 + 1003TIP3 H236400 4.341 0.373 -0.192 + 1003TIP3 OH236401 4.290 0.192 -0.425 + 1003TIP3 H136402 4.367 0.195 -0.366 + 1003TIP3 H236403 4.303 0.112 -0.476 + 1003TIP3 OH236404 3.782 0.449 0.154 + 1003TIP3 H136405 3.744 0.409 0.075 + 1003TIP3 H236406 3.840 0.379 0.189 + 1003TIP3 OH236407 3.896 0.769 0.432 + 1003TIP3 H136408 3.888 0.734 0.342 + 1003TIP3 H236409 3.977 0.725 0.464 + 1003TIP3 OH236410 3.803 0.317 0.506 + 1003TIP3 H136411 3.864 0.312 0.430 + 1003TIP3 H236412 3.850 0.379 0.566 + 1003TIP3 OH236413 3.904 0.751 0.987 + 1003TIP3 H136414 3.849 0.816 1.034 + 1003TIP3 H236415 3.842 0.721 0.918 + 1003TIP3 OH236416 3.601 0.384 0.899 + 1003TIP3 H136417 3.596 0.438 0.979 + 1003TIP3 H236418 3.507 0.374 0.876 + 1003TIP3 OH236419 4.240 0.957 0.082 + 1003TIP3 H136420 4.299 1.006 0.141 + 1003TIP3 H236421 4.198 1.028 0.032 + 1003TIP3 OH236422 3.711 0.968 1.070 + 1003TIP3 H136423 3.702 0.970 0.973 + 1003TIP3 H236424 3.623 0.937 1.100 + 1003TIP3 OH236425 3.261 0.579 0.788 + 1003TIP3 H136426 3.211 0.583 0.704 + 1003TIP3 H236427 3.279 0.482 0.794 + 1004TIP3 OH236428 3.257 0.865 0.473 + 1004TIP3 H136429 3.349 0.835 0.475 + 1004TIP3 H236430 3.254 0.926 0.548 + 1004TIP3 OH236431 4.175 0.849 0.942 + 1004TIP3 H136432 4.178 0.940 0.974 + 1004TIP3 H236433 4.082 0.822 0.958 + 1004TIP3 OH236434 4.172 1.241 -0.075 + 1004TIP3 H136435 4.206 1.232 -0.165 + 1004TIP3 H236436 4.214 1.321 -0.041 + 1004TIP3 OH236437 3.562 1.143 0.092 + 1004TIP3 H136438 3.581 1.094 0.175 + 1004TIP3 H236439 3.487 1.090 0.059 + 1004TIP3 OH236440 3.471 0.735 0.911 + 1004TIP3 H136441 3.504 0.683 0.987 + 1004TIP3 H236442 3.403 0.677 0.872 + 1004TIP3 OH236443 3.774 -0.438 0.474 + 1004TIP3 H136444 3.684 -0.445 0.436 + 1004TIP3 H236445 3.764 -0.356 0.524 + 1004TIP3 OH236446 4.231 -0.486 0.910 + 1004TIP3 H136447 4.246 -0.560 0.970 + 1004TIP3 H236448 4.141 -0.506 0.877 + 1004TIP3 OH236449 4.233 -0.208 -0.417 + 1004TIP3 H136450 4.168 -0.226 -0.347 + 1004TIP3 H236451 4.204 -0.271 -0.484 + 1004TIP3 OH236452 3.769 0.051 0.620 + 1004TIP3 H136453 3.704 0.061 0.692 + 1004TIP3 H236454 3.774 0.141 0.583 + 1004TIP3 OH236455 3.784 0.044 0.101 + 1004TIP3 H136456 3.689 0.034 0.086 + 1004TIP3 H236457 3.819 0.021 0.012 + 1005TIP3 OH236458 4.280 0.097 0.025 + 1005TIP3 H136459 4.264 0.192 0.012 + 1005TIP3 H236460 4.319 0.073 -0.059 + 1005TIP3 OH236461 4.252 0.146 1.147 + 1005TIP3 H136462 4.194 0.068 1.158 + 1005TIP3 H236463 4.338 0.100 1.148 + 1005TIP3 OH236464 3.518 0.075 0.800 + 1005TIP3 H136465 3.547 0.105 0.887 + 1005TIP3 H236466 3.486 -0.015 0.818 + 1005TIP3 OH236467 3.860 -0.162 -0.532 + 1005TIP3 H136468 3.817 -0.206 -0.456 + 1005TIP3 H236469 3.786 -0.151 -0.594 + 1005TIP3 OH236470 3.368 -0.112 -0.237 + 1005TIP3 H136471 3.395 -0.091 -0.327 + 1005TIP3 H236472 3.274 -0.096 -0.240 + 1005TIP3 OH236473 4.352 0.197 0.752 + 1005TIP3 H136474 4.379 0.135 0.681 + 1005TIP3 H236475 4.271 0.153 0.783 + 1005TIP3 OH236476 4.046 -0.201 0.216 + 1005TIP3 H136477 3.953 -0.191 0.242 + 1005TIP3 H236478 4.090 -0.174 0.298 + 1005TIP3 OH236479 3.489 -0.047 0.073 + 1005TIP3 H136480 3.415 -0.034 0.012 + 1005TIP3 H236481 3.524 -0.133 0.042 + 1005TIP3 OH236482 3.871 -0.020 -0.156 + 1005TIP3 H136483 3.968 -0.015 -0.150 + 1005TIP3 H236484 3.849 0.037 -0.231 + 1005TIP3 OH236485 3.715 0.105 -0.374 + 1005TIP3 H136486 3.657 0.077 -0.447 + 1005TIP3 H236487 3.797 0.121 -0.423 + 1006TIP3 OH236488 3.582 0.580 1.125 + 1006TIP3 H136489 3.651 0.586 1.194 + 1006TIP3 H236490 3.502 0.576 1.181 + 1006TIP3 OH236491 4.138 0.036 0.354 + 1006TIP3 H136492 4.219 0.009 0.309 + 1006TIP3 H236493 4.164 0.031 0.447 + 1006TIP3 OH236494 3.666 -0.288 0.028 + 1006TIP3 H136495 3.612 -0.369 0.029 + 1006TIP3 H236496 3.741 -0.314 -0.027 + 1006TIP3 OH236497 4.047 -0.089 0.626 + 1006TIP3 H136498 3.977 -0.024 0.610 + 1006TIP3 H236499 4.098 -0.046 0.698 + 1006TIP3 OH236500 4.072 0.544 -0.188 + 1006TIP3 H136501 3.989 0.501 -0.219 + 1006TIP3 H236502 4.054 0.561 -0.093 + 1006TIP3 OH236503 4.203 0.547 0.939 + 1006TIP3 H136504 4.185 0.538 1.032 + 1006TIP3 H236505 4.214 0.643 0.926 + 1006TIP3 OH236506 3.565 0.499 0.366 + 1006TIP3 H136507 3.645 0.481 0.314 + 1006TIP3 H236508 3.552 0.417 0.416 + 1006TIP3 OH236509 4.295 0.687 -0.300 + 1006TIP3 H136510 4.298 0.765 -0.243 + 1006TIP3 H236511 4.228 0.634 -0.255 + 1006TIP3 OH236512 3.289 0.324 0.890 + 1006TIP3 H136513 3.307 0.286 0.978 + 1006TIP3 H236514 3.241 0.252 0.846 + 1006TIP3 OH236515 4.001 0.278 1.120 + 1006TIP3 H136516 3.966 0.249 1.034 + 1006TIP3 H236517 4.095 0.253 1.110 + 1007TIP3 OH236518 3.811 0.831 0.123 + 1007TIP3 H136519 3.856 0.915 0.106 + 1007TIP3 H236520 3.722 0.849 0.091 + 1007TIP3 OH236521 4.013 0.609 0.077 + 1007TIP3 H136522 3.986 0.701 0.093 + 1007TIP3 H236523 3.943 0.560 0.122 + 1007TIP3 OH236524 4.019 1.029 0.722 + 1007TIP3 H136525 4.077 1.099 0.686 + 1007TIP3 H236526 4.085 0.974 0.767 + 1007TIP3 OH236527 3.858 1.118 0.041 + 1007TIP3 H136528 3.762 1.134 0.048 + 1007TIP3 H236529 3.895 1.206 0.063 + 1007TIP3 OH236530 3.426 -0.203 0.881 + 1007TIP3 H136531 3.335 -0.187 0.851 + 1007TIP3 H236532 3.419 -0.289 0.926 + 1007TIP3 OH236533 3.411 0.969 0.721 + 1007TIP3 H136534 3.441 0.878 0.734 + 1007TIP3 H236535 3.437 1.008 0.806 + 1007TIP3 OH236536 3.990 0.836 -0.581 + 1007TIP3 H136537 4.029 0.759 -0.625 + 1007TIP3 H236538 3.957 0.796 -0.498 + 1007TIP3 OH236539 3.883 0.781 -0.308 + 1007TIP3 H136540 3.933 0.730 -0.243 + 1007TIP3 H236541 3.895 0.873 -0.277 + 1007TIP3 OH236542 4.337 -0.177 0.789 + 1007TIP3 H136543 4.377 -0.256 0.827 + 1007TIP3 H236544 4.278 -0.215 0.722 + 1007TIP3 OH236545 4.168 0.955 -0.243 + 1007TIP3 H136546 4.085 1.003 -0.232 + 1007TIP3 H236547 4.210 1.001 -0.316 + 1008TIP3 OH236548 4.120 -0.105 -0.045 + 1008TIP3 H136549 4.184 -0.036 -0.018 + 1008TIP3 H236550 4.086 -0.127 0.045 + 1008TIP3 OH236551 4.160 0.004 0.879 + 1008TIP3 H136552 4.188 0.061 0.952 + 1008TIP3 H236553 4.234 -0.059 0.870 + 1008TIP3 OH236554 4.192 -0.385 0.072 + 1008TIP3 H136555 4.165 -0.308 0.127 + 1008TIP3 H236556 4.273 -0.352 0.030 + 1008TIP3 OH236557 3.893 1.055 -0.245 + 1008TIP3 H136558 3.890 1.138 -0.297 + 1008TIP3 H236559 3.882 1.087 -0.154 + 1008TIP3 OH236560 3.767 -0.279 -0.294 + 1008TIP3 H136561 3.770 -0.198 -0.241 + 1008TIP3 H236562 3.850 -0.324 -0.269 + 1008TIP3 OH236563 3.600 0.819 -0.398 + 1008TIP3 H136564 3.672 0.851 -0.343 + 1008TIP3 H236565 3.636 0.734 -0.426 + 1008TIP3 OH236566 3.491 -0.490 0.420 + 1008TIP3 H136567 3.465 -0.468 0.330 + 1008TIP3 H236568 3.450 -0.576 0.433 + 1008TIP3 OH236569 3.417 0.883 0.033 + 1008TIP3 H136570 3.322 0.895 0.033 + 1008TIP3 H236571 3.441 0.910 -0.057 + 1008TIP3 OH236572 3.346 1.173 1.142 + 1008TIP3 H136573 3.403 1.145 1.216 + 1008TIP3 H236574 3.307 1.089 1.113 + 1008TIP3 OH236575 3.814 1.077 1.324 + 1008TIP3 H136576 3.883 1.011 1.340 + 1008TIP3 H236577 3.789 1.055 1.232 + 1009TIP3 OH236578 4.230 1.005 -0.547 + 1009TIP3 H136579 4.149 0.949 -0.545 + 1009TIP3 H236580 4.296 0.934 -0.558 + 1009TIP3 OH236581 3.335 0.535 1.255 + 1009TIP3 H136582 3.351 0.448 1.214 + 1009TIP3 H236583 3.263 0.568 1.199 + 1009TIP3 OH236584 3.748 0.565 -0.564 + 1009TIP3 H136585 3.765 0.517 -0.481 + 1009TIP3 H236586 3.839 0.572 -0.598 + 1009TIP3 OH236587 4.005 0.557 1.188 + 1009TIP3 H136588 3.980 0.589 1.100 + 1009TIP3 H236589 4.014 0.460 1.173 + 1009TIP3 OH236590 4.262 0.715 -0.581 + 1009TIP3 H136591 4.280 0.721 -0.484 + 1009TIP3 H236592 4.250 0.619 -0.590 + 1009TIP3 OH236593 3.453 0.268 1.157 + 1009TIP3 H136594 3.519 0.198 1.160 + 1009TIP3 H236595 3.431 0.277 1.251 + 1009TIP3 OH236596 3.855 0.388 -0.301 + 1009TIP3 H136597 3.798 0.328 -0.252 + 1009TIP3 H236598 3.892 0.327 -0.368 + 1009TIP3 OH236599 3.798 0.166 0.916 + 1009TIP3 H136600 3.741 0.243 0.929 + 1009TIP3 H236601 3.853 0.196 0.842 + 1009TIP3 OH236602 3.977 0.191 -0.477 + 1009TIP3 H136603 3.968 0.193 -0.573 + 1009TIP3 H236604 4.073 0.201 -0.467 + 1009TIP3 OH236605 4.285 0.412 1.289 + 1009TIP3 H136606 4.349 0.381 1.224 + 1009TIP3 H236607 4.267 0.329 1.336 + 1010TIP3 OH236608 3.855 -0.105 1.031 + 1010TIP3 H136609 3.862 -0.172 0.960 + 1010TIP3 H236610 3.841 -0.025 0.979 + 1010TIP3 OH236611 3.886 -0.262 0.774 + 1010TIP3 H136612 3.937 -0.205 0.712 + 1010TIP3 H236613 3.796 -0.259 0.736 + 1010TIP3 OH236614 4.067 0.278 0.806 + 1010TIP3 H136615 4.136 0.278 0.738 + 1010TIP3 H236616 4.029 0.366 0.792 + 1010TIP3 OH236617 3.681 0.073 1.212 + 1010TIP3 H136618 3.625 -0.006 1.207 + 1010TIP3 H236619 3.759 0.045 1.161 + 1010TIP3 OH236620 3.969 -0.525 0.811 + 1010TIP3 H136621 3.947 -0.431 0.792 + 1010TIP3 H236622 3.902 -0.571 0.756 + 1010TIP3 OH236623 4.102 -0.079 1.186 + 1010TIP3 H136624 4.062 -0.104 1.270 + 1010TIP3 H236625 4.030 -0.100 1.123 + 1010TIP3 OH236626 3.542 -0.180 1.191 + 1010TIP3 H136627 3.535 -0.253 1.127 + 1010TIP3 H236628 3.520 -0.226 1.274 + 1010TIP3 OH236629 3.945 -0.578 1.093 + 1010TIP3 H136630 4.007 -0.652 1.095 + 1010TIP3 H236631 3.940 -0.562 0.996 + 1010TIP3 OH236632 4.034 -0.399 1.288 + 1010TIP3 H136633 4.010 -0.453 1.211 + 1010TIP3 H236634 3.972 -0.324 1.281 + 1010TIP3 OH236635 3.954 1.312 -0.373 + 1010TIP3 H136636 4.050 1.314 -0.363 + 1010TIP3 H236637 3.945 1.358 -0.458 + 1011TIP3 OH236638 3.316 0.756 -0.500 + 1011TIP3 H136639 3.379 0.789 -0.433 + 1011TIP3 H236640 3.306 0.665 -0.472 + 1011TIP3 OH236641 3.229 1.278 0.050 + 1011TIP3 H136642 3.157 1.237 -0.001 + 1011TIP3 H236643 3.248 1.207 0.114 + 1011TIP3 OH236644 3.273 1.075 0.248 + 1011TIP3 H136645 3.247 0.984 0.270 + 1011TIP3 H236646 3.308 1.104 0.333 + 1011TIP3 OH236647 3.281 -0.054 1.138 + 1011TIP3 H136648 3.375 -0.080 1.135 + 1011TIP3 H236649 3.239 -0.138 1.112 + 1011TIP3 OH236650 3.456 0.873 1.208 + 1011TIP3 H136651 3.387 0.871 1.140 + 1011TIP3 H236652 3.404 0.876 1.289 + 1011TIP3 OH236653 3.740 0.976 0.774 + 1011TIP3 H136654 3.710 1.060 0.735 + 1011TIP3 H236655 3.836 0.982 0.755 + 1011TIP3 OH236656 4.218 1.138 1.062 + 1011TIP3 H136657 4.205 1.099 1.149 + 1011TIP3 H236658 4.314 1.158 1.066 + 1011TIP3 OH236659 3.478 1.270 0.806 + 1011TIP3 H136660 3.418 1.331 0.760 + 1011TIP3 H236661 3.441 1.272 0.895 + 1011TIP3 OH236662 3.729 1.247 0.664 + 1011TIP3 H136663 3.643 1.266 0.706 + 1011TIP3 H236664 3.732 1.315 0.594 + 1011TIP3 OH236665 4.195 1.224 0.619 + 1011TIP3 H136666 4.179 1.269 0.535 + 1011TIP3 H236667 4.258 1.282 0.663 + 1012TIP3 OH236668 3.436 1.149 0.501 + 1012TIP3 H136669 3.434 1.098 0.585 + 1012TIP3 H236670 3.510 1.104 0.454 + 1012TIP3 OH236671 3.635 1.023 0.348 + 1012TIP3 H136672 3.622 0.928 0.367 + 1012TIP3 H236673 3.728 1.037 0.375 + 1012TIP3 OH236674 3.911 1.073 0.432 + 1012TIP3 H136675 3.936 0.982 0.406 + 1012TIP3 H236676 3.921 1.067 0.528 + 1012TIP3 OH236677 4.264 -0.379 0.373 + 1012TIP3 H136678 4.178 -0.424 0.376 + 1012TIP3 H236679 4.298 -0.407 0.287 + 1012TIP3 OH236680 3.479 -0.515 0.093 + 1012TIP3 H136681 3.387 -0.531 0.067 + 1012TIP3 H236682 3.504 -0.598 0.134 + 1012TIP3 OH236683 3.367 -0.517 -0.281 + 1012TIP3 H136684 3.408 -0.453 -0.343 + 1012TIP3 H236685 3.294 -0.465 -0.246 + 1012TIP3 OH236686 3.931 -0.495 0.108 + 1012TIP3 H136687 4.022 -0.461 0.097 + 1012TIP3 H236688 3.927 -0.498 0.204 + 1012TIP3 OH236689 3.376 1.077 -0.188 + 1012TIP3 H136690 3.305 1.058 -0.251 + 1012TIP3 H236691 3.369 1.173 -0.181 + 1012TIP3 OH236692 3.526 -0.345 -0.440 + 1012TIP3 H136693 3.585 -0.383 -0.506 + 1012TIP3 H236694 3.590 -0.308 -0.376 + 1012TIP3 OH236695 4.062 -0.323 -0.196 + 1012TIP3 H136696 4.065 -0.385 -0.122 + 1012TIP3 H236697 4.063 -0.237 -0.149 + 1013TIP3 OH236698 4.263 1.240 -0.370 + 1013TIP3 H136699 4.352 1.276 -0.386 + 1013TIP3 H236700 4.250 1.180 -0.445 + 1013TIP3 OH236701 3.460 -0.440 1.077 + 1013TIP3 H136702 3.418 -0.525 1.102 + 1013TIP3 H236703 3.553 -0.462 1.091 + 1013TIP3 OH236704 3.702 -0.506 1.249 + 1013TIP3 H136705 3.784 -0.540 1.206 + 1013TIP3 H236706 3.663 -0.589 1.282 + 1013TIP3 OH236707 3.527 1.175 -0.499 + 1013TIP3 H136708 3.496 1.189 -0.408 + 1013TIP3 H236709 3.601 1.113 -0.484 + 1013TIP3 OH236710 -3.164 2.284 0.140 + 1013TIP3 H136711 -3.159 2.379 0.161 + 1013TIP3 H236712 -3.239 2.284 0.078 + 1013TIP3 OH236713 -3.273 2.233 0.450 + 1013TIP3 H136714 -3.275 2.181 0.532 + 1013TIP3 H236715 -3.305 2.169 0.385 + 1013TIP3 OH236716 -4.027 2.193 0.614 + 1013TIP3 H136717 -4.033 2.119 0.678 + 1013TIP3 H236718 -3.960 2.249 0.657 + 1013TIP3 OH236719 -2.909 2.507 0.283 + 1013TIP3 H136720 -2.944 2.437 0.340 + 1013TIP3 H236721 -2.878 2.571 0.350 + 1013TIP3 OH236722 -3.959 2.655 0.467 + 1013TIP3 H136723 -3.988 2.566 0.440 + 1013TIP3 H236724 -3.865 2.639 0.485 + 1013TIP3 OH236725 -4.214 2.025 -0.111 + 1013TIP3 H136726 -4.252 2.107 -0.077 + 1013TIP3 H236727 -4.292 1.967 -0.114 + 1014TIP3 OH236728 -4.207 2.230 0.172 + 1014TIP3 H136729 -4.186 2.168 0.244 + 1014TIP3 H236730 -4.122 2.272 0.155 + 1014TIP3 OH236731 -3.201 3.044 0.339 + 1014TIP3 H136732 -3.142 2.973 0.308 + 1014TIP3 H236733 -3.229 3.010 0.425 + 1014TIP3 OH236734 -3.426 2.485 0.507 + 1014TIP3 H136735 -3.392 2.413 0.450 + 1014TIP3 H236736 -3.345 2.501 0.560 + 1014TIP3 OH236737 -2.551 1.639 0.564 + 1014TIP3 H136738 -2.529 1.695 0.641 + 1014TIP3 H236739 -2.487 1.672 0.499 + 1014TIP3 OH236740 -3.096 1.919 0.556 + 1014TIP3 H136741 -3.081 1.824 0.565 + 1014TIP3 H236742 -3.106 1.928 0.460 + 1014TIP3 OH236743 -3.797 1.720 0.266 + 1014TIP3 H136744 -3.786 1.805 0.220 + 1014TIP3 H236745 -3.834 1.666 0.193 + 1014TIP3 OH236746 -3.032 1.730 0.063 + 1014TIP3 H136747 -2.993 1.676 0.134 + 1014TIP3 H236748 -2.951 1.776 0.032 + 1014TIP3 OH236749 -4.138 1.994 0.319 + 1014TIP3 H136750 -4.080 1.952 0.385 + 1014TIP3 H236751 -4.120 1.939 0.241 + 1014TIP3 OH236752 -3.590 2.130 0.261 + 1014TIP3 H136753 -3.522 2.074 0.303 + 1014TIP3 H236754 -3.644 2.064 0.215 + 1014TIP3 OH236755 -2.487 1.770 0.814 + 1014TIP3 H136756 -2.545 1.845 0.791 + 1014TIP3 H236757 -2.493 1.772 0.911 + 1015TIP3 OH236758 -3.917 1.603 0.683 + 1015TIP3 H136759 -3.964 1.644 0.610 + 1015TIP3 H236760 -3.981 1.617 0.756 + 1015TIP3 OH236761 -3.171 2.574 0.022 + 1015TIP3 H136762 -3.201 2.554 -0.067 + 1015TIP3 H236763 -3.215 2.659 0.041 + 1015TIP3 OH236764 -3.626 2.387 0.694 + 1015TIP3 H136765 -3.699 2.447 0.721 + 1015TIP3 H236766 -3.564 2.448 0.651 + 1015TIP3 OH236767 -2.844 1.669 0.295 + 1015TIP3 H136768 -2.872 1.601 0.357 + 1015TIP3 H236769 -2.783 1.721 0.350 + 1015TIP3 OH236770 -3.958 1.807 0.473 + 1015TIP3 H136771 -3.893 1.863 0.521 + 1015TIP3 H236772 -3.899 1.768 0.405 + 1015TIP3 OH236773 -3.827 2.573 0.769 + 1015TIP3 H136774 -3.830 2.665 0.735 + 1015TIP3 H236775 -3.916 2.567 0.809 + 1015TIP3 OH236776 -4.182 2.537 -0.142 + 1015TIP3 H136777 -4.264 2.555 -0.193 + 1015TIP3 H236778 -4.191 2.599 -0.067 + 1015TIP3 OH236779 -2.851 2.689 0.532 + 1015TIP3 H136780 -2.948 2.701 0.534 + 1015TIP3 H236781 -2.822 2.774 0.496 + 1015TIP3 OH236782 -2.815 1.579 0.683 + 1015TIP3 H136783 -2.892 1.617 0.639 + 1015TIP3 H236784 -2.744 1.595 0.618 + 1015TIP3 OH236785 -3.504 1.347 0.392 + 1015TIP3 H136786 -3.528 1.253 0.387 + 1015TIP3 H236787 -3.587 1.386 0.428 + 1016TIP3 OH236788 -3.019 2.882 0.191 + 1016TIP3 H136789 -2.971 2.804 0.158 + 1016TIP3 H236790 -2.953 2.953 0.178 + 1016TIP3 OH236791 -2.875 2.669 0.051 + 1016TIP3 H136792 -2.927 2.624 -0.017 + 1016TIP3 H236793 -2.881 2.606 0.125 + 1016TIP3 OH236794 -2.724 2.553 0.900 + 1016TIP3 H136795 -2.731 2.487 0.829 + 1016TIP3 H236796 -2.707 2.635 0.851 + 1016TIP3 OH236797 -3.283 2.241 -0.134 + 1016TIP3 H136798 -3.353 2.303 -0.164 + 1016TIP3 H236799 -3.219 2.248 -0.206 + 1016TIP3 OH236800 -3.264 2.063 -0.419 + 1016TIP3 H136801 -3.188 2.086 -0.363 + 1016TIP3 H236802 -3.222 2.005 -0.484 + 1016TIP3 OH236803 -2.547 2.168 0.694 + 1016TIP3 H136804 -2.616 2.235 0.703 + 1016TIP3 H236805 -2.495 2.202 0.619 + 1016TIP3 OH236806 -2.944 2.238 -0.022 + 1016TIP3 H136807 -3.010 2.265 0.046 + 1016TIP3 H236808 -2.882 2.185 0.032 + 1016TIP3 OH236809 -2.961 2.096 0.862 + 1016TIP3 H136810 -2.954 2.178 0.913 + 1016TIP3 H236811 -3.025 2.125 0.795 + 1016TIP3 OH236812 -3.782 2.321 0.154 + 1016TIP3 H136813 -3.816 2.278 0.074 + 1016TIP3 H236814 -3.718 2.254 0.187 + 1016TIP3 OH236815 -3.648 2.659 0.430 + 1016TIP3 H136816 -3.659 2.623 0.341 + 1016TIP3 H236817 -3.568 2.613 0.461 + 1017TIP3 OH236818 -3.726 2.203 0.502 + 1017TIP3 H136819 -3.667 2.207 0.425 + 1017TIP3 H236820 -3.688 2.268 0.563 + 1017TIP3 OH236821 -3.131 2.752 0.562 + 1017TIP3 H136822 -3.129 2.819 0.633 + 1017TIP3 H236823 -3.153 2.670 0.610 + 1017TIP3 OH236824 -3.642 2.633 0.988 + 1017TIP3 H136825 -3.695 2.699 1.036 + 1017TIP3 H236826 -3.706 2.605 0.919 + 1017TIP3 OH236827 -3.036 2.137 -0.261 + 1017TIP3 H136828 -2.988 2.178 -0.186 + 1017TIP3 H236829 -2.991 2.184 -0.336 + 1017TIP3 OH236830 -3.956 2.267 0.903 + 1017TIP3 H136831 -3.948 2.327 0.979 + 1017TIP3 H236832 -4.053 2.263 0.893 + 1017TIP3 OH236833 -3.303 2.846 0.080 + 1017TIP3 H136834 -3.257 2.877 0.159 + 1017TIP3 H236835 -3.352 2.925 0.052 + 1017TIP3 OH236836 -3.835 2.848 1.072 + 1017TIP3 H136837 -3.842 2.853 0.975 + 1017TIP3 H236838 -3.927 2.830 1.099 + 1017TIP3 OH236839 -2.689 1.344 -0.344 + 1017TIP3 H136840 -2.772 1.348 -0.296 + 1017TIP3 H236841 -2.651 1.433 -0.331 + 1017TIP3 OH236842 -3.892 2.193 -0.093 + 1017TIP3 H136843 -3.917 2.270 -0.146 + 1017TIP3 H236844 -3.961 2.129 -0.117 + 1017TIP3 OH236845 -2.564 2.773 -0.474 + 1017TIP3 H136846 -2.551 2.867 -0.450 + 1017TIP3 H236847 -2.477 2.735 -0.453 + 1018TIP3 OH236848 -4.266 2.476 0.761 + 1018TIP3 H136849 -4.288 2.443 0.673 + 1018TIP3 H236850 -4.307 2.407 0.817 + 1018TIP3 OH236851 -4.282 2.754 0.459 + 1018TIP3 H136852 -4.196 2.714 0.478 + 1018TIP3 H236853 -4.300 2.805 0.539 + 1018TIP3 OH236854 -2.441 2.813 1.053 + 1018TIP3 H136855 -2.451 2.717 1.035 + 1018TIP3 H236856 -2.533 2.836 1.079 + 1018TIP3 OH236857 -3.378 2.737 0.932 + 1018TIP3 H136858 -3.371 2.820 0.983 + 1018TIP3 H236859 -3.469 2.707 0.954 + 1018TIP3 OH236860 -3.347 3.119 -0.071 + 1018TIP3 H136861 -3.349 3.129 -0.168 + 1018TIP3 H236862 -3.344 3.211 -0.040 + 1018TIP3 OH236863 -3.976 3.031 0.092 + 1018TIP3 H136864 -3.954 2.990 0.178 + 1018TIP3 H236865 -4.055 2.980 0.069 + 1018TIP3 OH236866 -3.019 3.061 -0.353 + 1018TIP3 H136867 -2.961 2.995 -0.397 + 1018TIP3 H236868 -3.025 3.024 -0.263 + 1018TIP3 OH236869 -3.080 3.003 -0.073 + 1018TIP3 H136870 -3.175 3.018 -0.059 + 1018TIP3 H236871 -3.064 2.933 -0.008 + 1018TIP3 OH236872 -2.765 1.951 1.093 + 1018TIP3 H136873 -2.814 1.990 1.019 + 1018TIP3 H236874 -2.759 1.857 1.065 + 1018TIP3 OH236875 -4.071 2.616 0.909 + 1018TIP3 H136876 -4.042 2.559 0.982 + 1018TIP3 H236877 -4.147 2.567 0.870 + 1019TIP3 OH236878 -3.748 1.465 0.481 + 1019TIP3 H136879 -3.830 1.454 0.431 + 1019TIP3 H236880 -3.774 1.535 0.543 + 1019TIP3 OH236881 -3.311 1.421 0.847 + 1019TIP3 H136882 -3.258 1.368 0.910 + 1019TIP3 H236883 -3.401 1.387 0.860 + 1019TIP3 OH236884 -2.996 1.800 0.896 + 1019TIP3 H136885 -3.054 1.784 0.973 + 1019TIP3 H236886 -3.001 1.896 0.885 + 1019TIP3 OH236887 -2.905 2.278 -0.466 + 1019TIP3 H136888 -2.921 2.270 -0.562 + 1019TIP3 H236889 -2.816 2.317 -0.466 + 1019TIP3 OH236890 -3.289 1.662 -0.403 + 1019TIP3 H136891 -3.366 1.656 -0.343 + 1019TIP3 H236892 -3.327 1.614 -0.479 + 1019TIP3 OH236893 -3.760 1.942 0.623 + 1019TIP3 H136894 -3.820 1.952 0.699 + 1019TIP3 H236895 -3.756 2.034 0.587 + 1019TIP3 OH236896 -3.770 1.949 0.110 + 1019TIP3 H136897 -3.866 1.943 0.095 + 1019TIP3 H236898 -3.737 1.930 0.020 + 1019TIP3 OH236899 -3.172 1.992 -0.063 + 1019TIP3 H136900 -3.230 2.071 -0.050 + 1019TIP3 H236901 -3.105 2.038 -0.116 + 1019TIP3 OH236902 -3.288 2.027 1.126 + 1019TIP3 H136903 -3.338 1.950 1.160 + 1019TIP3 H236904 -3.200 2.012 1.165 + 1019TIP3 OH236905 -3.120 1.936 0.261 + 1019TIP3 H136906 -3.140 2.001 0.192 + 1019TIP3 H236907 -3.101 1.857 0.208 + 1020TIP3 OH236908 -4.024 1.958 0.806 + 1020TIP3 H136909 -3.998 1.995 0.892 + 1020TIP3 H236910 -4.052 1.869 0.830 + 1020TIP3 OH236911 -3.684 1.720 -0.530 + 1020TIP3 H136912 -3.726 1.678 -0.453 + 1020TIP3 H236913 -3.759 1.735 -0.589 + 1020TIP3 OH236914 -4.317 1.722 0.174 + 1020TIP3 H136915 -4.307 1.690 0.265 + 1020TIP3 H236916 -4.284 1.647 0.123 + 1020TIP3 OH236917 -4.208 1.758 -0.247 + 1020TIP3 H136918 -4.148 1.787 -0.319 + 1020TIP3 H236919 -4.291 1.796 -0.276 + 1020TIP3 OH236920 -3.212 2.113 0.711 + 1020TIP3 H136921 -3.167 2.041 0.662 + 1020TIP3 H236922 -3.244 2.066 0.789 + 1020TIP3 OH236923 -3.490 1.712 0.209 + 1020TIP3 H136924 -3.584 1.703 0.232 + 1020TIP3 H236925 -3.448 1.687 0.293 + 1020TIP3 OH236926 -4.038 1.836 0.076 + 1020TIP3 H136927 -4.115 1.849 0.019 + 1020TIP3 H236928 -4.004 1.751 0.043 + 1020TIP3 OH236929 -3.665 1.861 -0.153 + 1020TIP3 H136930 -3.572 1.886 -0.151 + 1020TIP3 H236931 -3.703 1.920 -0.222 + 1020TIP3 OH236932 -3.054 1.622 0.516 + 1020TIP3 H136933 -3.117 1.622 0.592 + 1020TIP3 H236934 -3.112 1.588 0.446 + 1020TIP3 OH236935 -3.821 1.988 -0.370 + 1020TIP3 H136936 -3.885 1.960 -0.437 + 1020TIP3 H236937 -3.743 2.007 -0.425 + 1021TIP3 OH236938 -2.753 3.203 1.182 + 1021TIP3 H136939 -2.729 3.245 1.097 + 1021TIP3 H236940 -2.681 3.232 1.240 + 1021TIP3 OH236941 -3.951 2.462 1.125 + 1021TIP3 H136942 -3.890 2.466 1.201 + 1021TIP3 H236943 -4.037 2.471 1.172 + 1021TIP3 OH236944 -3.386 1.962 0.394 + 1021TIP3 H136945 -3.313 1.914 0.353 + 1021TIP3 H236946 -3.406 1.904 0.471 + 1021TIP3 OH236947 -3.873 1.599 0.023 + 1021TIP3 H136948 -3.923 1.516 0.027 + 1021TIP3 H236949 -3.795 1.571 -0.027 + 1021TIP3 OH236950 -3.489 1.812 0.617 + 1021TIP3 H136951 -3.569 1.866 0.623 + 1021TIP3 H236952 -3.442 1.834 0.701 + 1021TIP3 OH236953 -3.471 2.440 -0.187 + 1021TIP3 H136954 -3.550 2.394 -0.224 + 1021TIP3 H236955 -3.496 2.449 -0.092 + 1021TIP3 OH236956 -2.756 2.364 0.685 + 1021TIP3 H136957 -2.704 2.417 0.620 + 1021TIP3 H236958 -2.840 2.353 0.638 + 1021TIP3 OH236959 -3.313 2.449 0.943 + 1021TIP3 H136960 -3.344 2.416 1.028 + 1021TIP3 H236961 -3.344 2.541 0.943 + 1021TIP3 OH236962 -3.977 2.378 0.381 + 1021TIP3 H136963 -3.909 2.371 0.312 + 1021TIP3 H236964 -3.962 2.297 0.433 + 1021TIP3 OH236965 -3.238 2.583 -0.296 + 1021TIP3 H136966 -3.264 2.670 -0.259 + 1021TIP3 H236967 -3.314 2.528 -0.268 + 1022TIP3 OH236968 -4.238 2.231 0.947 + 1022TIP3 H136969 -4.231 2.167 1.019 + 1022TIP3 H236970 -4.287 2.181 0.878 + 1022TIP3 OH236971 -3.540 2.166 1.118 + 1022TIP3 H136972 -3.577 2.138 1.032 + 1022TIP3 H236973 -3.447 2.136 1.108 + 1022TIP3 OH236974 -3.088 2.707 0.889 + 1022TIP3 H136975 -3.184 2.715 0.884 + 1022TIP3 H236976 -3.070 2.732 0.981 + 1022TIP3 OH236977 -2.532 1.914 -0.230 + 1022TIP3 H136978 -2.589 1.892 -0.306 + 1022TIP3 H236979 -2.522 2.010 -0.245 + 1022TIP3 OH236980 -2.489 2.518 1.048 + 1022TIP3 H136981 -2.582 2.538 1.027 + 1022TIP3 H236982 -2.453 2.499 0.959 + 1022TIP3 OH236983 -2.719 2.771 -0.227 + 1022TIP3 H136984 -2.736 2.696 -0.168 + 1022TIP3 H236985 -2.657 2.735 -0.292 + 1022TIP3 OH236986 -2.988 2.306 0.513 + 1022TIP3 H136987 -3.082 2.289 0.491 + 1022TIP3 H236988 -2.944 2.234 0.465 + 1022TIP3 OH236989 -3.727 2.715 0.120 + 1022TIP3 H136990 -3.686 2.803 0.107 + 1022TIP3 H236991 -3.819 2.733 0.097 + 1022TIP3 OH236992 -4.153 2.211 -0.410 + 1022TIP3 H136993 -4.082 2.267 -0.373 + 1022TIP3 H236994 -4.229 2.268 -0.396 + 1022TIP3 OH236995 -3.544 2.483 0.079 + 1022TIP3 H136996 -3.572 2.575 0.095 + 1022TIP3 H236997 -3.615 2.434 0.121 + 1023TIP3 OH236998 -3.526 2.910 0.717 + 1023TIP3 H136999 -3.471 2.984 0.687 + 1023TIP3 H237000 -3.464 2.861 0.772 + 1023TIP3 OH237001 -3.681 3.004 0.041 + 1023TIP3 H137002 -3.777 3.019 0.048 + 1023TIP3 H237003 -3.647 3.093 0.064 + 1023TIP3 OH237004 -3.186 2.484 0.673 + 1023TIP3 H137005 -3.214 2.457 0.762 + 1023TIP3 H237006 -3.111 2.424 0.656 + 1023TIP3 OH237007 -2.968 2.613 -0.436 + 1023TIP3 H137008 -2.927 2.572 -0.358 + 1023TIP3 H237009 -3.061 2.601 -0.412 + 1023TIP3 OH237010 -2.893 2.943 0.914 + 1023TIP3 H137011 -2.967 2.897 0.871 + 1023TIP3 H237012 -2.881 3.021 0.857 + 1023TIP3 OH237013 -2.496 3.041 -0.382 + 1023TIP3 H137014 -2.425 3.105 -0.403 + 1023TIP3 H237015 -2.572 3.101 -0.381 + 1023TIP3 OH237016 -4.101 1.687 0.885 + 1023TIP3 H137017 -4.188 1.725 0.861 + 1023TIP3 H237018 -4.122 1.602 0.925 + 1023TIP3 OH237019 -2.872 2.477 -0.196 + 1023TIP3 H137020 -2.899 2.403 -0.140 + 1023TIP3 H237021 -2.775 2.475 -0.186 + 1023TIP3 OH237022 -4.128 2.857 0.725 + 1023TIP3 H137023 -4.109 2.763 0.736 + 1023TIP3 H237024 -4.096 2.891 0.810 + 1023TIP3 OH237025 -3.544 2.720 -0.577 + 1023TIP3 H137026 -3.516 2.641 -0.627 + 1023TIP3 H237027 -3.587 2.680 -0.500 + 1024TIP3 OH237028 -3.658 2.670 -0.306 + 1024TIP3 H137029 -3.612 2.620 -0.237 + 1024TIP3 H237030 -3.646 2.763 -0.275 + 1024TIP3 OH237031 -3.985 2.413 -0.271 + 1024TIP3 H137032 -4.056 2.454 -0.215 + 1024TIP3 H237033 -3.938 2.494 -0.296 + 1024TIP3 OH237034 -3.210 1.662 0.735 + 1024TIP3 H137035 -3.148 1.690 0.804 + 1024TIP3 H237036 -3.259 1.589 0.778 + 1024TIP3 OH237037 -3.365 2.834 -0.243 + 1024TIP3 H137038 -3.447 2.883 -0.225 + 1024TIP3 H237039 -3.330 2.882 -0.319 + 1024TIP3 OH237040 -3.377 1.802 -0.043 + 1024TIP3 H137041 -3.322 1.879 -0.020 + 1024TIP3 H237042 -3.426 1.787 0.041 + 1024TIP3 OH237043 -3.368 1.897 0.872 + 1024TIP3 H137044 -3.364 1.949 0.953 + 1024TIP3 H237045 -3.314 1.820 0.895 + 1024TIP3 OH237046 -3.318 1.519 0.042 + 1024TIP3 H137047 -3.355 1.570 0.116 + 1024TIP3 H237048 -3.247 1.577 0.014 + 1024TIP3 OH237049 -3.644 2.941 -0.244 + 1024TIP3 H137050 -3.652 3.021 -0.299 + 1024TIP3 H237051 -3.659 2.976 -0.154 + 1024TIP3 OH237052 -3.777 1.609 -0.291 + 1024TIP3 H137053 -3.764 1.688 -0.237 + 1024TIP3 H237054 -3.697 1.556 -0.273 + 1024TIP3 OH237055 -2.742 1.699 0.962 + 1024TIP3 H137056 -2.838 1.710 0.943 + 1024TIP3 H237057 -2.712 1.678 0.872 + 1025TIP3 OH237058 -2.887 2.080 0.357 + 1025TIP3 H137059 -2.969 2.032 0.335 + 1025TIP3 H237060 -2.837 2.011 0.407 + 1025TIP3 OH237061 -3.930 2.697 -0.388 + 1025TIP3 H137062 -3.854 2.743 -0.349 + 1025TIP3 H237063 -3.884 2.643 -0.454 + 1025TIP3 OH237064 -4.113 1.913 -0.471 + 1025TIP3 H137065 -4.113 2.009 -0.452 + 1025TIP3 H237066 -4.188 1.900 -0.530 + 1025TIP3 OH237067 -2.788 2.968 0.502 + 1025TIP3 H137068 -2.805 3.050 0.451 + 1025TIP3 H237069 -2.695 2.982 0.526 + 1025TIP3 OH237070 -4.027 1.411 0.397 + 1025TIP3 H137071 -4.056 1.406 0.305 + 1025TIP3 H237072 -4.067 1.330 0.435 + 1025TIP3 OH237073 -4.135 2.778 0.027 + 1025TIP3 H137074 -4.227 2.808 0.034 + 1025TIP3 H237075 -4.107 2.817 -0.056 + 1025TIP3 OH237076 -4.214 3.053 1.148 + 1025TIP3 H137077 -4.151 3.052 1.222 + 1025TIP3 H237078 -4.216 2.957 1.133 + 1025TIP3 OH237079 -3.719 2.966 1.323 + 1025TIP3 H137080 -3.656 2.894 1.339 + 1025TIP3 H237081 -3.750 2.943 1.234 + 1025TIP3 OH237082 -3.322 2.890 -0.527 + 1025TIP3 H137083 -3.399 2.830 -0.537 + 1025TIP3 H237084 -3.253 2.835 -0.565 + 1025TIP3 OH237085 -3.085 2.797 1.184 + 1025TIP3 H137086 -3.121 2.712 1.216 + 1025TIP3 H237087 -3.011 2.812 1.245 + 1026TIP3 OH237088 -2.860 2.881 -0.517 + 1026TIP3 H137089 -2.843 2.801 -0.464 + 1026TIP3 H237090 -2.780 2.885 -0.572 + 1026TIP3 OH237091 -4.199 2.456 1.209 + 1026TIP3 H137092 -4.190 2.366 1.173 + 1026TIP3 H237093 -4.287 2.482 1.178 + 1026TIP3 OH237094 -3.781 2.464 -0.543 + 1026TIP3 H137095 -3.763 2.405 -0.468 + 1026TIP3 H237096 -3.696 2.461 -0.590 + 1026TIP3 OH237097 -3.539 2.442 1.189 + 1026TIP3 H137098 -3.569 2.474 1.102 + 1026TIP3 H237099 -3.531 2.345 1.174 + 1026TIP3 OH237100 -3.255 2.597 -0.582 + 1026TIP3 H137101 -3.261 2.593 -0.485 + 1026TIP3 H237102 -3.261 2.502 -0.604 + 1026TIP3 OH237103 -3.001 2.403 0.928 + 1026TIP3 H137104 -2.923 2.456 0.908 + 1026TIP3 H237105 -3.071 2.470 0.926 + 1026TIP3 OH237106 -4.134 2.129 1.186 + 1026TIP3 H137107 -4.056 2.072 1.176 + 1026TIP3 H237108 -4.125 2.156 1.279 + 1026TIP3 OH237109 -3.672 2.272 -0.309 + 1026TIP3 H137110 -3.736 2.223 -0.255 + 1026TIP3 H237111 -3.644 2.204 -0.373 + 1026TIP3 OH237112 -3.750 2.049 0.917 + 1026TIP3 H137113 -3.806 2.127 0.933 + 1026TIP3 H237114 -3.685 2.084 0.853 + 1026TIP3 OH237115 -3.576 2.073 -0.484 + 1026TIP3 H137116 -3.582 2.080 -0.581 + 1026TIP3 H237117 -3.479 2.076 -0.471 + 1027TIP3 OH237118 -3.218 2.320 1.273 + 1027TIP3 H137119 -3.129 2.299 1.239 + 1027TIP3 H237120 -3.245 2.234 1.309 + 1027TIP3 OH237121 -2.628 2.321 -0.554 + 1027TIP3 H137122 -2.648 2.284 -0.641 + 1027TIP3 H237123 -2.637 2.417 -0.573 + 1027TIP3 OH237124 -3.691 1.778 1.030 + 1027TIP3 H137125 -3.684 1.712 0.959 + 1027TIP3 H237126 -3.711 1.859 0.979 + 1027TIP3 OH237127 -3.657 1.626 0.775 + 1027TIP3 H137128 -3.606 1.676 0.709 + 1027TIP3 H237129 -3.748 1.627 0.739 + 1027TIP3 OH237130 -3.501 2.170 0.815 + 1027TIP3 H137131 -3.417 2.161 0.766 + 1027TIP3 H237132 -3.532 2.257 0.784 + 1027TIP3 OH237133 -3.044 1.963 1.294 + 1027TIP3 H137134 -3.021 1.869 1.305 + 1027TIP3 H237135 -2.955 2.002 1.286 + 1027TIP3 OH237136 -2.948 2.242 1.143 + 1027TIP3 H137137 -2.981 2.303 1.073 + 1027TIP3 H237138 -2.858 2.226 1.108 + 1027TIP3 OH237139 -3.876 1.968 1.207 + 1027TIP3 H137140 -3.930 1.886 1.210 + 1027TIP3 H237141 -3.796 1.938 1.162 + 1027TIP3 OH237142 -3.585 1.358 0.810 + 1027TIP3 H137143 -3.604 1.452 0.794 + 1027TIP3 H237144 -3.655 1.315 0.756 + 1027TIP3 OH237145 -3.459 1.815 1.189 + 1027TIP3 H137146 -3.493 1.792 1.277 + 1027TIP3 H237147 -3.538 1.795 1.135 + 1028TIP3 OH237148 -3.204 1.720 1.075 + 1028TIP3 H137149 -3.293 1.723 1.116 + 1028TIP3 H237150 -3.158 1.656 1.133 + 1028TIP3 OH237151 -3.022 1.568 1.248 + 1028TIP3 H137152 -3.036 1.473 1.265 + 1028TIP3 H237153 -3.038 1.609 1.335 + 1028TIP3 OH237154 -4.014 1.712 1.192 + 1028TIP3 H137155 -4.016 1.638 1.128 + 1028TIP3 H237156 -4.032 1.665 1.276 + 1028TIP3 OH237157 -3.601 1.307 1.091 + 1028TIP3 H137158 -3.542 1.230 1.096 + 1028TIP3 H237159 -3.605 1.321 0.994 + 1028TIP3 OH237160 -3.506 1.493 1.277 + 1028TIP3 H137161 -3.536 1.434 1.204 + 1028TIP3 H237162 -3.575 1.560 1.279 + 1028TIP3 OH237163 -3.599 3.197 -0.374 + 1028TIP3 H137164 -3.504 3.209 -0.364 + 1028TIP3 H237165 -3.614 3.241 -0.458 + 1028TIP3 OH237166 -4.198 2.687 -0.467 + 1028TIP3 H137167 -4.123 2.680 -0.406 + 1028TIP3 H237168 -4.219 2.595 -0.487 + 1028TIP3 OH237169 -4.273 2.965 0.246 + 1028TIP3 H137170 -4.277 2.876 0.285 + 1028TIP3 H237171 -4.244 3.016 0.323 + 1028TIP3 OH237172 -2.516 3.086 0.552 + 1028TIP3 H137173 -2.498 3.082 0.647 + 1028TIP3 H237174 -2.430 3.113 0.517 + 1028TIP3 OH237175 -2.528 3.030 0.841 + 1028TIP3 H137176 -2.576 2.954 0.803 + 1028TIP3 H237177 -2.467 2.983 0.900 + 1029TIP3 OH237178 -2.726 2.575 1.267 + 1029TIP3 H137179 -2.813 2.580 1.310 + 1029TIP3 H237180 -2.680 2.653 1.300 + 1029TIP3 OH237181 -2.586 2.461 -0.158 + 1029TIP3 H137182 -2.495 2.495 -0.142 + 1029TIP3 H237183 -2.593 2.399 -0.083 + 1029TIP3 OH237184 -2.540 2.259 0.045 + 1029TIP3 H137185 -2.602 2.193 0.082 + 1029TIP3 H237186 -2.470 2.264 0.113 + 1029TIP3 OH237187 -2.566 2.506 0.537 + 1029TIP3 H137188 -2.501 2.458 0.483 + 1029TIP3 H237189 -2.553 2.598 0.508 + 1029TIP3 OH237190 -2.696 2.801 0.761 + 1029TIP3 H137191 -2.770 2.839 0.812 + 1029TIP3 H237192 -2.741 2.763 0.683 + 1029TIP3 OH237193 -2.514 2.203 -0.302 + 1029TIP3 H137194 -2.565 2.231 -0.380 + 1029TIP3 H237195 -2.525 2.279 -0.243 + 1029TIP3 OH237196 -2.686 1.954 -0.478 + 1029TIP3 H137197 -2.661 2.014 -0.549 + 1029TIP3 H237198 -2.705 1.871 -0.527 + 1029TIP3 OH237199 -2.754 2.055 0.111 + 1029TIP3 H137200 -2.759 1.959 0.110 + 1029TIP3 H237201 -2.781 2.075 0.203 + 1029TIP3 OH237202 -4.256 2.321 0.518 + 1029TIP3 H137203 -4.223 2.344 0.430 + 1029TIP3 H237204 -4.176 2.280 0.558 + 1029TIP3 OH237205 -2.685 2.264 1.038 + 1029TIP3 H137206 -2.612 2.201 1.051 + 1029TIP3 H237207 -2.639 2.346 1.016 + 1030TIP3 OH237208 -2.530 2.071 1.161 + 1030TIP3 H137209 -2.608 2.018 1.135 + 1030TIP3 H237210 -2.458 2.005 1.152 + 1030TIP3 OH237211 -2.735 1.692 -0.560 + 1030TIP3 H137212 -2.674 1.636 -0.511 + 1030TIP3 H237213 -2.816 1.639 -0.567 + 1030TIP3 OH237214 -2.817 1.824 -0.085 + 1030TIP3 H137215 -2.766 1.741 -0.076 + 1030TIP3 H237216 -2.747 1.884 -0.116 + 1030TIP3 OH237217 -2.735 1.883 0.482 + 1030TIP3 H137218 -2.638 1.892 0.478 + 1030TIP3 H237219 -2.748 1.883 0.578 + 1030TIP3 OH237220 -2.720 1.951 0.765 + 1030TIP3 H137221 -2.805 1.991 0.791 + 1030TIP3 H237222 -2.666 2.030 0.743 + 1030TIP3 OH237223 -4.285 1.816 1.125 + 1030TIP3 H137224 -4.196 1.777 1.127 + 1030TIP3 H237225 -4.343 1.742 1.145 + 1030TIP3 OH237226 -2.468 1.366 1.293 + 1030TIP3 H137227 -2.419 1.297 1.243 + 1030TIP3 H237228 -2.461 1.443 1.234 + 1030TIP3 OH237229 -2.717 1.559 -0.062 + 1030TIP3 H137230 -2.693 1.523 0.025 + 1030TIP3 H237231 -2.791 1.501 -0.088 + 1030TIP3 OH237232 -4.195 1.670 0.446 + 1030TIP3 H137233 -4.160 1.580 0.440 + 1030TIP3 H237234 -4.115 1.723 0.459 + 1030TIP3 OH237235 -4.332 1.933 0.527 + 1030TIP3 H137236 -4.295 1.880 0.455 + 1030TIP3 H237237 -4.313 2.023 0.497 + 1031TIP3 OH237238 -2.527 1.574 1.119 + 1031TIP3 H137239 -2.615 1.615 1.120 + 1031TIP3 H237240 -2.535 1.517 1.040 + 1031TIP3 OH237241 -2.504 1.581 -0.416 + 1031TIP3 H137242 -2.459 1.502 -0.448 + 1031TIP3 H237243 -2.428 1.633 -0.382 + 1031TIP3 OH237244 -4.316 1.546 -0.120 + 1031TIP3 H137245 -4.400 1.573 -0.160 + 1031TIP3 H237246 -4.256 1.615 -0.157 + 1031TIP3 OH237247 -2.828 3.090 0.132 + 1031TIP3 H137248 -2.780 3.065 0.051 + 1031TIP3 H237249 -2.757 3.126 0.186 + 1031TIP3 OH237250 -4.291 1.443 0.715 + 1031TIP3 H137251 -4.360 1.433 0.785 + 1031TIP3 H237252 -4.337 1.488 0.643 + 1031TIP3 OH237253 -4.117 2.795 1.182 + 1031TIP3 H137254 -4.168 2.732 1.130 + 1031TIP3 H237255 -4.134 2.760 1.273 + 1031TIP3 OH237256 -3.802 2.861 0.775 + 1031TIP3 H137257 -3.834 2.944 0.735 + 1031TIP3 H237258 -3.706 2.869 0.755 + 1031TIP3 OH237259 -3.353 2.990 1.074 + 1031TIP3 H137260 -3.335 2.972 1.167 + 1031TIP3 H237261 -3.270 3.034 1.046 + 1031TIP3 OH237262 -3.124 3.134 1.000 + 1031TIP3 H137263 -3.053 3.072 0.975 + 1031TIP3 H237264 -3.091 3.166 1.087 + 1031TIP3 OH237265 -2.638 1.393 0.915 + 1031TIP3 H137266 -2.718 1.415 0.864 + 1031TIP3 H237267 -2.618 1.303 0.882 + 1032TIP3 OH237268 -4.069 3.165 0.798 + 1032TIP3 H137269 -4.137 3.214 0.748 + 1032TIP3 H237270 -4.103 3.173 0.888 + 1032TIP3 OH237271 -3.818 3.132 0.662 + 1032TIP3 H137272 -3.905 3.151 0.702 + 1032TIP3 H237273 -3.814 3.198 0.590 + 1032TIP3 OH237274 -3.342 3.131 0.616 + 1032TIP3 H137275 -3.379 3.175 0.538 + 1032TIP3 H237276 -3.333 3.207 0.677 + 1032TIP3 OH237277 -3.109 3.003 0.710 + 1032TIP3 H137278 -3.193 3.039 0.675 + 1032TIP3 H237279 -3.051 3.080 0.705 + 1032TIP3 OH237280 -2.856 3.175 0.726 + 1032TIP3 H137281 -2.859 3.271 0.705 + 1032TIP3 H237282 -2.826 3.139 0.641 + 1032TIP3 OH237283 -4.125 3.041 0.496 + 1032TIP3 H137284 -4.134 2.994 0.581 + 1032TIP3 H237285 -4.050 2.993 0.456 + 1032TIP3 OH237286 -3.910 2.914 0.346 + 1032TIP3 H137287 -3.927 2.821 0.373 + 1032TIP3 H237288 -3.819 2.928 0.379 + 1032TIP3 OH237289 -3.629 2.956 0.432 + 1032TIP3 H137290 -3.612 2.863 0.409 + 1032TIP3 H237291 -3.624 2.952 0.528 + 1032TIP3 OH237292 -3.297 1.544 0.351 + 1032TIP3 H137293 -3.364 1.477 0.374 + 1032TIP3 H237294 -3.232 1.491 0.302 + 1032TIP3 OH237295 -2.801 1.350 0.410 + 1032TIP3 H137296 -2.724 1.391 0.366 + 1032TIP3 H237297 -2.874 1.374 0.352 + 1033TIP3 OH237298 -2.602 1.463 0.192 + 1033TIP3 H137299 -2.530 1.409 0.153 + 1033TIP3 H237300 -2.558 1.550 0.201 + 1033TIP3 OH237301 -4.102 1.400 0.113 + 1033TIP3 H137302 -4.178 1.372 0.061 + 1033TIP3 H237303 -4.046 1.319 0.106 + 1033TIP3 OH237304 -4.185 1.366 -0.305 + 1033TIP3 H137305 -4.132 1.432 -0.354 + 1033TIP3 H237306 -4.234 1.423 -0.243 + 1033TIP3 OH237307 -3.610 1.411 0.102 + 1033TIP3 H137308 -3.514 1.416 0.093 + 1033TIP3 H237309 -3.620 1.392 0.196 + 1033TIP3 OH237310 -3.059 1.403 0.244 + 1033TIP3 H137311 -3.028 1.381 0.155 + 1033TIP3 H237312 -3.094 1.317 0.274 + 1033TIP3 OH237313 -2.961 1.414 -0.155 + 1033TIP3 H137314 -3.042 1.427 -0.206 + 1033TIP3 H237315 -2.971 1.320 -0.132 + 1033TIP3 OH237316 -4.186 2.965 -0.200 + 1033TIP3 H137317 -4.251 2.946 -0.268 + 1033TIP3 H237318 -4.184 3.062 -0.201 + 1033TIP3 OH237319 -4.006 1.553 -0.449 + 1033TIP3 H137320 -3.951 1.492 -0.501 + 1033TIP3 H237321 -3.944 1.580 -0.379 + 1033TIP3 OH237322 -3.479 1.572 -0.201 + 1033TIP3 H137323 -3.470 1.504 -0.132 + 1033TIP3 H237324 -3.493 1.651 -0.148 + 1033TIP3 OH237325 -3.295 3.144 -0.366 + 1033TIP3 H137326 -3.198 3.145 -0.370 + 1033TIP3 H237327 -3.315 3.078 -0.435 + 1034TIP3 OH237328 -2.646 3.046 -0.108 + 1034TIP3 H137329 -2.668 2.963 -0.152 + 1034TIP3 H237330 -2.648 3.109 -0.182 + 1034TIP3 OH237331 -4.080 1.444 1.070 + 1034TIP3 H137332 -4.125 1.366 1.109 + 1034TIP3 H237333 -3.988 1.427 1.097 + 1034TIP3 OH237334 -3.842 1.379 1.246 + 1034TIP3 H137335 -3.761 1.344 1.205 + 1034TIP3 H237336 -3.878 1.299 1.288 + 1034TIP3 OH237337 -4.011 3.066 -0.501 + 1034TIP3 H137338 -4.042 3.082 -0.410 + 1034TIP3 H237339 -3.942 2.999 -0.486 + 1034TIP3 OH237340 -3.030 1.286 1.261 + 1034TIP3 H137341 -3.026 1.247 1.350 + 1034TIP3 H237342 -2.936 1.286 1.235 + 1034TIP3 OH237343 -2.697 2.922 1.133 + 1034TIP3 H137344 -2.767 2.903 1.069 + 1034TIP3 H237345 -2.711 3.017 1.149 + 1034TIP3 OH237346 -2.112 2.199 0.605 + 1034TIP3 H137347 -2.118 2.117 0.657 + 1034TIP3 H237348 -2.060 2.254 0.666 + 1034TIP3 OH237349 -2.048 2.655 0.478 + 1034TIP3 H137350 -2.076 2.565 0.450 + 1034TIP3 H237351 -1.961 2.635 0.513 + 1034TIP3 OH237352 -2.375 1.989 0.015 + 1034TIP3 H137353 -2.409 2.080 0.015 + 1034TIP3 H237354 -2.444 1.942 -0.033 + 1034TIP3 OH237355 -2.285 2.225 0.207 + 1034TIP3 H137356 -2.264 2.142 0.252 + 1034TIP3 H237357 -2.208 2.234 0.148 + 1035TIP3 OH237358 -1.895 1.737 0.264 + 1035TIP3 H137359 -1.931 1.819 0.230 + 1035TIP3 H237360 -1.941 1.671 0.209 + 1035TIP3 OH237361 -2.217 1.964 0.341 + 1035TIP3 H137362 -2.142 1.919 0.383 + 1035TIP3 H237363 -2.207 1.934 0.249 + 1035TIP3 OH237364 -2.314 2.546 -0.144 + 1035TIP3 H137365 -2.326 2.597 -0.225 + 1035TIP3 H237366 -2.293 2.614 -0.077 + 1035TIP3 OH237367 -1.131 2.880 0.160 + 1035TIP3 H137368 -1.071 2.804 0.160 + 1035TIP3 H237369 -1.068 2.955 0.164 + 1035TIP3 OH237370 -0.830 2.534 0.885 + 1035TIP3 H137371 -0.840 2.477 0.808 + 1035TIP3 H237372 -0.833 2.623 0.844 + 1035TIP3 OH237373 -1.374 2.101 -0.425 + 1035TIP3 H137374 -1.284 2.130 -0.405 + 1035TIP3 H237375 -1.357 2.027 -0.486 + 1035TIP3 OH237376 -2.059 2.265 0.890 + 1035TIP3 H137377 -2.043 2.322 0.968 + 1035TIP3 H237378 -2.155 2.253 0.894 + 1035TIP3 OH237379 -1.428 2.833 0.073 + 1035TIP3 H137380 -1.353 2.859 0.128 + 1035TIP3 H237381 -1.466 2.916 0.042 + 1035TIP3 OH237382 -1.941 2.852 1.041 + 1035TIP3 H137383 -1.932 2.813 0.954 + 1035TIP3 H237384 -2.016 2.804 1.078 + 1035TIP3 OH237385 -2.042 2.202 -0.060 + 1035TIP3 H137386 -2.029 2.265 -0.132 + 1035TIP3 H237387 -2.066 2.121 -0.104 + 1036TIP3 OH237388 -0.701 2.782 -0.472 + 1036TIP3 H137389 -0.675 2.870 -0.438 + 1036TIP3 H237390 -0.631 2.728 -0.432 + 1036TIP3 OH237391 -2.403 2.465 0.785 + 1036TIP3 H137392 -2.443 2.462 0.696 + 1036TIP3 H237393 -2.383 2.371 0.802 + 1036TIP3 OH237394 -2.397 2.755 0.475 + 1036TIP3 H137395 -2.305 2.724 0.483 + 1036TIP3 H237396 -2.402 2.815 0.551 + 1036TIP3 OH237397 -0.558 2.814 1.053 + 1036TIP3 H137398 -0.571 2.719 1.037 + 1036TIP3 H237399 -0.648 2.840 1.082 + 1036TIP3 OH237400 -1.478 3.129 -0.057 + 1036TIP3 H137401 -1.470 3.108 -0.151 + 1036TIP3 H237402 -1.451 3.222 -0.051 + 1036TIP3 OH237403 -2.085 3.035 0.093 + 1036TIP3 H137404 -2.066 2.986 0.175 + 1036TIP3 H237405 -2.166 2.991 0.063 + 1036TIP3 OH237406 -1.132 3.059 -0.356 + 1036TIP3 H137407 -1.083 2.986 -0.398 + 1036TIP3 H237408 -1.141 3.026 -0.265 + 1036TIP3 OH237409 -1.194 3.011 -0.079 + 1036TIP3 H137410 -1.291 3.011 -0.076 + 1036TIP3 H237411 -1.174 2.942 -0.012 + 1036TIP3 OH237412 -0.840 1.975 1.096 + 1036TIP3 H137413 -0.914 2.005 1.042 + 1036TIP3 H237414 -0.847 1.879 1.086 + 1036TIP3 OH237415 -2.151 2.626 0.888 + 1036TIP3 H137416 -2.110 2.575 0.960 + 1036TIP3 H237417 -2.218 2.565 0.855 + 1037TIP3 OH237418 -1.426 1.681 -0.436 + 1037TIP3 H137419 -1.479 1.676 -0.356 + 1037TIP3 H237420 -1.449 1.599 -0.482 + 1037TIP3 OH237421 -2.142 1.965 0.799 + 1037TIP3 H137422 -2.102 1.987 0.883 + 1037TIP3 H237423 -2.147 1.868 0.806 + 1037TIP3 OH237424 -1.789 1.714 -0.540 + 1037TIP3 H137425 -1.821 1.674 -0.456 + 1037TIP3 H237426 -1.871 1.737 -0.583 + 1037TIP3 OH237427 -2.449 1.696 0.177 + 1037TIP3 H137428 -2.380 1.696 0.245 + 1037TIP3 H237429 -2.404 1.660 0.098 + 1037TIP3 OH237430 -2.305 1.740 -0.278 + 1037TIP3 H137431 -2.239 1.796 -0.322 + 1037TIP3 H237432 -2.365 1.806 -0.239 + 1037TIP3 OH237433 -2.117 1.853 0.080 + 1037TIP3 H137434 -2.201 1.880 0.039 + 1037TIP3 H237435 -2.097 1.768 0.036 + 1037TIP3 OH237436 -1.953 1.949 -0.362 + 1037TIP3 H137437 -1.987 1.950 -0.453 + 1037TIP3 H237438 -1.861 1.978 -0.375 + 1037TIP3 OH237439 -0.866 3.200 1.182 + 1037TIP3 H137440 -0.843 3.245 1.099 + 1037TIP3 H237441 -0.795 3.231 1.241 + 1037TIP3 OH237442 -2.074 2.455 1.124 + 1037TIP3 H137443 -2.007 2.470 1.193 + 1037TIP3 H237444 -2.155 2.469 1.177 + 1037TIP3 OH237445 -1.989 1.597 0.022 + 1037TIP3 H137446 -2.035 1.515 0.047 + 1037TIP3 H237447 -1.915 1.563 -0.030 + 1038TIP3 OH237448 -2.055 2.388 0.390 + 1038TIP3 H137449 -2.007 2.360 0.310 + 1038TIP3 H237450 -2.071 2.302 0.432 + 1038TIP3 OH237451 -2.358 2.216 0.923 + 1038TIP3 H137452 -2.333 2.168 1.004 + 1038TIP3 H237453 -2.410 2.151 0.874 + 1038TIP3 OH237454 -0.613 2.507 1.043 + 1038TIP3 H137455 -0.706 2.530 1.021 + 1038TIP3 H237456 -0.575 2.508 0.953 + 1038TIP3 OH237457 -1.837 2.698 0.130 + 1038TIP3 H137458 -1.777 2.772 0.114 + 1038TIP3 H237459 -1.922 2.732 0.103 + 1038TIP3 OH237460 -2.241 2.197 -0.422 + 1038TIP3 H137461 -2.181 2.260 -0.378 + 1038TIP3 H237462 -2.327 2.222 -0.383 + 1038TIP3 OH237463 -1.795 2.997 0.037 + 1038TIP3 H137464 -1.890 3.013 0.045 + 1038TIP3 H237465 -1.758 3.084 0.057 + 1038TIP3 OH237466 -1.009 2.927 0.902 + 1038TIP3 H137467 -1.092 2.895 0.863 + 1038TIP3 H237468 -0.998 3.013 0.857 + 1038TIP3 OH237469 -0.614 3.045 -0.375 + 1038TIP3 H137470 -0.539 3.102 -0.399 + 1038TIP3 H237471 -0.686 3.110 -0.382 + 1038TIP3 OH237472 -2.207 1.682 0.874 + 1038TIP3 H137473 -2.296 1.699 0.841 + 1038TIP3 H237474 -2.213 1.589 0.903 + 1038TIP3 OH237475 -2.244 2.850 0.726 + 1038TIP3 H137476 -2.207 2.762 0.745 + 1038TIP3 H237477 -2.217 2.897 0.805 + 1039TIP3 OH237478 -1.660 2.713 -0.552 + 1039TIP3 H137479 -1.638 2.638 -0.611 + 1039TIP3 H237480 -1.694 2.667 -0.475 + 1039TIP3 OH237481 -2.092 2.417 -0.272 + 1039TIP3 H137482 -2.159 2.447 -0.208 + 1039TIP3 H237483 -2.047 2.501 -0.293 + 1039TIP3 OH237484 -1.456 2.916 -0.246 + 1039TIP3 H137485 -1.545 2.881 -0.233 + 1039TIP3 H237486 -1.434 2.889 -0.336 + 1039TIP3 OH237487 -1.770 2.912 -0.259 + 1039TIP3 H137488 -1.765 2.997 -0.306 + 1039TIP3 H237489 -1.773 2.941 -0.167 + 1039TIP3 OH237490 -1.869 1.620 -0.287 + 1039TIP3 H137491 -1.875 1.706 -0.244 + 1039TIP3 H237492 -1.786 1.582 -0.253 + 1039TIP3 OH237493 -0.835 1.716 0.962 + 1039TIP3 H137494 -0.910 1.671 1.005 + 1039TIP3 H237495 -0.817 1.658 0.887 + 1039TIP3 OH237496 -2.018 2.693 -0.372 + 1039TIP3 H137497 -1.954 2.762 -0.349 + 1039TIP3 H237498 -1.974 2.647 -0.445 + 1039TIP3 OH237499 -2.232 1.919 -0.502 + 1039TIP3 H137500 -2.219 2.006 -0.462 + 1039TIP3 H237501 -2.327 1.910 -0.506 + 1039TIP3 OH237502 -0.921 2.957 0.506 + 1039TIP3 H137503 -0.931 3.037 0.453 + 1039TIP3 H237504 -0.827 2.959 0.525 + 1039TIP3 OH237505 -2.123 1.435 0.408 + 1039TIP3 H137506 -2.119 1.420 0.312 + 1039TIP3 H237507 -2.134 1.346 0.443 + 1040TIP3 OH237508 -2.255 2.765 0.028 + 1040TIP3 H137509 -2.330 2.821 0.051 + 1040TIP3 H237510 -2.211 2.817 -0.041 + 1040TIP3 OH237511 -2.313 3.059 1.145 + 1040TIP3 H137512 -2.252 3.031 1.216 + 1040TIP3 H237513 -2.349 2.973 1.115 + 1040TIP3 OH237514 -1.855 2.956 1.312 + 1040TIP3 H137515 -1.779 2.904 1.341 + 1040TIP3 H237516 -1.860 2.933 1.218 + 1040TIP3 OH237517 -1.440 2.886 -0.529 + 1040TIP3 H137518 -1.517 2.825 -0.537 + 1040TIP3 H237519 -1.369 2.832 -0.566 + 1040TIP3 OH237520 -1.208 2.791 1.175 + 1040TIP3 H137521 -1.227 2.698 1.193 + 1040TIP3 H237522 -1.129 2.808 1.230 + 1040TIP3 OH237523 -0.984 2.853 -0.513 + 1040TIP3 H137524 -0.938 2.788 -0.457 + 1040TIP3 H237525 -0.909 2.881 -0.568 + 1040TIP3 OH237526 -2.321 2.420 1.260 + 1040TIP3 H137527 -2.302 2.334 1.219 + 1040TIP3 H237528 -2.391 2.453 1.201 + 1040TIP3 OH237529 -1.890 2.472 -0.533 + 1040TIP3 H137530 -1.883 2.398 -0.469 + 1040TIP3 H237531 -1.809 2.457 -0.586 + 1040TIP3 OH237532 -1.369 2.596 -0.555 + 1040TIP3 H137533 -1.366 2.589 -0.459 + 1040TIP3 H237534 -1.371 2.502 -0.582 + 1040TIP3 OH237535 -2.227 2.131 1.169 + 1040TIP3 H137536 -2.160 2.061 1.170 + 1040TIP3 H237537 -2.230 2.155 1.263 + 1041TIP3 OH237538 -1.808 2.251 -0.351 + 1041TIP3 H137539 -1.826 2.218 -0.262 + 1041TIP3 H237540 -1.759 2.176 -0.389 + 1041TIP3 OH237541 -1.824 2.054 0.922 + 1041TIP3 H137542 -1.893 2.115 0.949 + 1041TIP3 H237543 -1.819 2.070 0.827 + 1041TIP3 OH237544 -1.674 2.051 -0.491 + 1041TIP3 H137545 -1.688 2.073 -0.585 + 1041TIP3 H237546 -1.582 2.078 -0.476 + 1041TIP3 OH237547 -0.759 2.289 -0.535 + 1041TIP3 H137548 -0.773 2.285 -0.631 + 1041TIP3 H237549 -0.728 2.381 -0.525 + 1041TIP3 OH237550 -1.036 2.215 1.127 + 1041TIP3 H137551 -1.069 2.294 1.085 + 1041TIP3 H237552 -0.946 2.209 1.089 + 1041TIP3 OH237553 -1.961 1.942 1.194 + 1041TIP3 H137554 -2.023 1.867 1.187 + 1041TIP3 H237555 -1.891 1.917 1.132 + 1041TIP3 OH237556 -2.120 1.706 1.185 + 1041TIP3 H137557 -2.125 1.634 1.120 + 1041TIP3 H237558 -2.140 1.660 1.268 + 1041TIP3 OH237559 -1.636 1.469 1.297 + 1041TIP3 H137560 -1.637 1.432 1.208 + 1041TIP3 H237561 -1.678 1.556 1.286 + 1041TIP3 OH237562 -1.716 3.187 -0.373 + 1041TIP3 H137563 -1.622 3.203 -0.356 + 1041TIP3 H237564 -1.728 3.239 -0.453 + 1041TIP3 OH237565 -2.315 2.641 -0.423 + 1041TIP3 H137566 -2.220 2.652 -0.404 + 1041TIP3 H237567 -2.315 2.559 -0.478 + 1042TIP3 OH237568 -2.424 3.157 0.052 + 1042TIP3 H137569 -2.496 3.118 -0.002 + 1042TIP3 H237570 -2.413 3.088 0.121 + 1042TIP3 OH237571 -2.386 2.958 0.251 + 1042TIP3 H137572 -2.414 2.871 0.283 + 1042TIP3 H237573 -2.348 2.993 0.333 + 1042TIP3 OH237574 -0.635 3.088 0.549 + 1042TIP3 H137575 -0.617 3.076 0.643 + 1042TIP3 H237576 -0.547 3.110 0.515 + 1042TIP3 OH237577 -0.648 3.023 0.839 + 1042TIP3 H137578 -0.694 2.947 0.800 + 1042TIP3 H237579 -0.589 2.978 0.901 + 1042TIP3 OH237580 -0.848 2.567 1.271 + 1042TIP3 H137581 -0.929 2.573 1.324 + 1042TIP3 H237582 -0.799 2.647 1.299 + 1042TIP3 OH237583 -0.830 2.774 0.753 + 1042TIP3 H137584 -0.891 2.829 0.807 + 1042TIP3 H237585 -0.878 2.769 0.669 + 1042TIP3 OH237586 -2.365 2.292 0.496 + 1042TIP3 H137587 -2.344 2.292 0.401 + 1042TIP3 H237588 -2.277 2.270 0.533 + 1042TIP3 OH237589 -0.773 2.256 1.031 + 1042TIP3 H137590 -0.721 2.187 1.074 + 1042TIP3 H237591 -0.720 2.336 1.041 + 1042TIP3 OH237592 -2.379 1.827 1.126 + 1042TIP3 H137593 -2.286 1.800 1.130 + 1042TIP3 H237594 -2.424 1.741 1.133 + 1042TIP3 OH237595 -2.274 1.666 0.421 + 1042TIP3 H137596 -2.229 1.578 0.422 + 1042TIP3 H237597 -2.210 1.718 0.471 + 1043TIP3 OH237598 -2.453 1.934 0.505 + 1043TIP3 H137599 -2.384 1.920 0.438 + 1043TIP3 H237600 -2.414 2.006 0.556 + 1043TIP3 OH237601 -0.623 1.587 1.163 + 1043TIP3 H137602 -0.717 1.607 1.180 + 1043TIP3 H237603 -0.627 1.506 1.112 + 1043TIP3 OH237604 -2.404 1.569 -0.072 + 1043TIP3 H137605 -2.495 1.565 -0.102 + 1043TIP3 H237606 -2.355 1.600 -0.150 + 1043TIP3 OH237607 -0.938 3.092 0.130 + 1043TIP3 H137608 -0.893 3.066 0.048 + 1043TIP3 H237609 -0.864 3.124 0.184 + 1043TIP3 OH237610 -2.397 1.435 0.732 + 1043TIP3 H137611 -2.465 1.422 0.799 + 1043TIP3 H237612 -2.441 1.496 0.670 + 1043TIP3 OH237613 -2.195 2.742 1.189 + 1043TIP3 H137614 -2.269 2.759 1.130 + 1043TIP3 H237615 -2.231 2.758 1.276 + 1043TIP3 OH237616 -1.485 2.981 1.054 + 1043TIP3 H137617 -1.466 2.939 1.139 + 1043TIP3 H237618 -1.396 3.007 1.023 + 1043TIP3 OH237619 -1.240 3.130 0.990 + 1043TIP3 H137620 -1.177 3.057 0.977 + 1043TIP3 H237621 -1.215 3.160 1.080 + 1043TIP3 OH237622 -2.183 3.152 0.805 + 1043TIP3 H137623 -2.239 3.218 0.761 + 1043TIP3 H237624 -2.215 3.160 0.896 + 1043TIP3 OH237625 -1.920 3.096 0.654 + 1043TIP3 H137626 -2.001 3.105 0.707 + 1043TIP3 H237627 -1.922 3.173 0.597 + 1044TIP3 OH237628 -1.443 3.129 0.611 + 1044TIP3 H137629 -1.501 3.168 0.544 + 1044TIP3 H237630 -1.452 3.191 0.685 + 1044TIP3 OH237631 -1.213 2.991 0.699 + 1044TIP3 H137632 -1.303 3.018 0.671 + 1044TIP3 H237633 -1.168 3.077 0.701 + 1044TIP3 OH237634 -0.965 3.172 0.725 + 1044TIP3 H137635 -0.974 3.267 0.704 + 1044TIP3 H237636 -0.940 3.137 0.638 + 1044TIP3 OH237637 -2.221 3.032 0.499 + 1044TIP3 H137638 -2.221 2.986 0.586 + 1044TIP3 H237639 -2.143 2.989 0.457 + 1044TIP3 OH237640 -2.017 2.905 0.347 + 1044TIP3 H137641 -2.028 2.812 0.375 + 1044TIP3 H237642 -1.927 2.924 0.380 + 1044TIP3 OH237643 -1.740 2.946 0.441 + 1044TIP3 H137644 -1.712 2.857 0.418 + 1044TIP3 H237645 -1.748 2.943 0.537 + 1044TIP3 OH237646 -2.161 1.379 0.124 + 1044TIP3 H137647 -2.248 1.367 0.082 + 1044TIP3 H237648 -2.119 1.293 0.108 + 1044TIP3 OH237649 -2.278 2.960 -0.178 + 1044TIP3 H137650 -2.341 2.950 -0.250 + 1044TIP3 H237651 -2.277 3.056 -0.169 + 1044TIP3 OH237652 -2.104 1.551 -0.470 + 1044TIP3 H137653 -2.057 1.467 -0.478 + 1044TIP3 H237654 -2.078 1.577 -0.380 + 1044TIP3 OH237655 -1.609 1.531 -0.191 + 1044TIP3 H137656 -1.567 1.518 -0.105 + 1044TIP3 H237657 -1.544 1.492 -0.250 + 1045TIP3 OH237658 -1.399 3.169 -0.384 + 1045TIP3 H137659 -1.304 3.149 -0.376 + 1045TIP3 H237660 -1.431 3.086 -0.424 + 1045TIP3 OH237661 -0.779 3.031 -0.117 + 1045TIP3 H137662 -0.763 2.944 -0.156 + 1045TIP3 H237663 -0.757 3.090 -0.191 + 1045TIP3 OH237664 -2.194 1.439 1.065 + 1045TIP3 H137665 -2.236 1.358 1.100 + 1045TIP3 H237666 -2.101 1.424 1.088 + 1045TIP3 OH237667 -1.959 1.376 1.241 + 1045TIP3 H137668 -1.875 1.338 1.213 + 1045TIP3 H237669 -1.998 1.298 1.284 + 1045TIP3 OH237670 -2.135 3.051 -0.498 + 1045TIP3 H137671 -2.156 3.083 -0.409 + 1045TIP3 H237672 -2.052 3.002 -0.484 + 1045TIP3 OH237673 -0.810 2.922 1.127 + 1045TIP3 H137674 -0.885 2.901 1.070 + 1045TIP3 H237675 -0.828 3.016 1.149 + 1045TIP3 OH237676 0.621 2.294 0.135 + 1045TIP3 H137677 0.611 2.391 0.134 + 1045TIP3 H237678 0.539 2.263 0.095 + 1045TIP3 OH237679 0.496 2.234 0.446 + 1045TIP3 H137680 0.497 2.173 0.521 + 1045TIP3 H237681 0.464 2.175 0.376 + 1045TIP3 OH237682 0.865 2.510 0.283 + 1045TIP3 H137683 0.830 2.434 0.331 + 1045TIP3 H237684 0.891 2.568 0.355 + 1045TIP3 OH237685 -0.181 2.634 0.462 + 1045TIP3 H137686 -0.201 2.557 0.408 + 1045TIP3 H237687 -0.087 2.621 0.483 + 1046TIP3 OH237688 0.572 3.045 0.340 + 1046TIP3 H137689 0.630 2.973 0.308 + 1046TIP3 H237690 0.543 3.010 0.426 + 1046TIP3 OH237691 0.347 2.486 0.503 + 1046TIP3 H137692 0.380 2.409 0.453 + 1046TIP3 H237693 0.427 2.503 0.556 + 1046TIP3 OH237694 0.587 2.568 0.023 + 1046TIP3 H137695 0.577 2.559 -0.073 + 1046TIP3 H237696 0.557 2.660 0.038 + 1046TIP3 OH237697 0.142 2.361 0.686 + 1046TIP3 H137698 0.056 2.405 0.690 + 1046TIP3 H237699 0.196 2.422 0.633 + 1046TIP3 OH237700 -0.057 2.571 0.770 + 1046TIP3 H137701 -0.053 2.661 0.734 + 1046TIP3 H237702 -0.143 2.574 0.815 + 1046TIP3 OH237703 0.921 2.690 0.533 + 1046TIP3 H137704 0.824 2.700 0.535 + 1046TIP3 H237705 0.947 2.776 0.496 + 1046TIP3 OH237706 0.751 2.883 0.192 + 1046TIP3 H137707 0.798 2.803 0.161 + 1046TIP3 H237708 0.818 2.952 0.177 + 1046TIP3 OH237709 0.890 2.673 0.053 + 1046TIP3 H137710 0.855 2.619 -0.019 + 1046TIP3 H237711 0.890 2.608 0.126 + 1046TIP3 OH237712 1.051 2.552 0.900 + 1046TIP3 H137713 1.036 2.486 0.830 + 1046TIP3 H237714 1.063 2.634 0.849 + 1046TIP3 OH237715 1.231 2.169 0.720 + 1046TIP3 H137716 1.140 2.201 0.718 + 1046TIP3 H237717 1.257 2.174 0.627 + 1047TIP3 OH237718 0.832 2.247 -0.027 + 1047TIP3 H137719 0.762 2.263 0.040 + 1047TIP3 H237720 0.879 2.173 0.011 + 1047TIP3 OH237721 0.844 2.065 0.856 + 1047TIP3 H137722 0.836 2.137 0.919 + 1047TIP3 H237723 0.774 2.088 0.793 + 1047TIP3 OH237724 0.121 2.659 0.424 + 1047TIP3 H137725 0.118 2.617 0.337 + 1047TIP3 H237726 0.200 2.617 0.463 + 1047TIP3 OH237727 0.637 2.753 0.562 + 1047TIP3 H137728 0.643 2.817 0.635 + 1047TIP3 H237729 0.620 2.669 0.608 + 1047TIP3 OH237730 0.131 2.634 0.988 + 1047TIP3 H137731 0.078 2.699 1.036 + 1047TIP3 H237732 0.069 2.605 0.918 + 1047TIP3 OH237733 0.703 2.154 -0.279 + 1047TIP3 H137734 0.752 2.164 -0.197 + 1047TIP3 H237735 0.758 2.202 -0.343 + 1047TIP3 OH237736 -0.211 2.239 0.899 + 1047TIP3 H137737 -0.181 2.303 0.965 + 1047TIP3 H237738 -0.287 2.282 0.862 + 1047TIP3 OH237739 0.471 2.848 0.078 + 1047TIP3 H137740 0.515 2.876 0.159 + 1047TIP3 H237741 0.418 2.925 0.054 + 1047TIP3 OH237742 -0.061 2.853 1.070 + 1047TIP3 H137743 -0.071 2.854 0.973 + 1047TIP3 H237744 -0.148 2.823 1.101 + 1047TIP3 OH237745 1.203 2.774 -0.473 + 1047TIP3 H137746 1.220 2.868 -0.449 + 1047TIP3 H237747 1.291 2.734 -0.456 + 1048TIP3 OH237748 -0.516 2.455 0.771 + 1048TIP3 H137749 -0.545 2.474 0.680 + 1048TIP3 H237750 -0.521 2.360 0.774 + 1048TIP3 OH237751 1.328 2.814 1.050 + 1048TIP3 H137752 1.317 2.718 1.034 + 1048TIP3 H237753 1.237 2.838 1.080 + 1048TIP3 OH237754 0.393 2.739 0.931 + 1048TIP3 H137755 0.400 2.821 0.984 + 1048TIP3 H237756 0.303 2.708 0.954 + 1048TIP3 OH237757 0.419 3.120 -0.070 + 1048TIP3 H137758 0.422 3.127 -0.167 + 1048TIP3 H237759 0.428 3.212 -0.041 + 1048TIP3 OH237760 -0.208 3.029 0.093 + 1048TIP3 H137761 -0.187 2.982 0.175 + 1048TIP3 H237762 -0.283 2.975 0.061 + 1048TIP3 OH237763 0.752 3.061 -0.354 + 1048TIP3 H137764 0.809 2.995 -0.398 + 1048TIP3 H237765 0.747 3.024 -0.263 + 1048TIP3 OH237766 0.691 3.004 -0.072 + 1048TIP3 H137767 0.596 3.014 -0.058 + 1048TIP3 H237768 0.710 2.931 -0.011 + 1048TIP3 OH237769 1.009 1.940 1.079 + 1048TIP3 H137770 0.955 1.977 1.006 + 1048TIP3 H237771 1.005 1.846 1.060 + 1048TIP3 OH237772 -0.298 2.618 0.906 + 1048TIP3 H137773 -0.266 2.570 0.986 + 1048TIP3 H237774 -0.368 2.561 0.871 + 1048TIP3 OH237775 0.862 2.287 -0.468 + 1048TIP3 H137776 0.858 2.267 -0.563 + 1048TIP3 H237777 0.956 2.310 -0.458 + 1049TIP3 OH237778 0.482 2.030 1.127 + 1049TIP3 H137779 0.437 1.947 1.152 + 1049TIP3 H237780 0.573 2.012 1.158 + 1049TIP3 OH237781 -0.226 1.882 0.846 + 1049TIP3 H137782 -0.156 1.950 0.854 + 1049TIP3 H237783 -0.226 1.864 0.752 + 1049TIP3 OH237784 0.583 2.098 0.710 + 1049TIP3 H137785 0.608 2.024 0.652 + 1049TIP3 H237786 0.540 2.055 0.785 + 1049TIP3 OH237787 1.019 3.201 1.183 + 1049TIP3 H137788 1.042 3.245 1.099 + 1049TIP3 H237789 1.091 3.231 1.242 + 1049TIP3 OH237790 -0.190 2.461 1.114 + 1049TIP3 H137791 -0.119 2.466 1.181 + 1049TIP3 H237792 -0.267 2.457 1.174 + 1049TIP3 OH237793 0.352 1.974 0.413 + 1049TIP3 H137794 0.409 1.934 0.346 + 1049TIP3 H237795 0.341 1.906 0.479 + 1049TIP3 OH237796 1.005 2.371 0.684 + 1049TIP3 H137797 1.065 2.416 0.620 + 1049TIP3 H237798 0.928 2.352 0.628 + 1049TIP3 OH237799 0.465 2.457 0.942 + 1049TIP3 H137800 0.431 2.414 1.021 + 1049TIP3 H237801 0.427 2.545 0.947 + 1049TIP3 OH237802 0.513 2.576 -0.292 + 1049TIP3 H137803 0.484 2.663 -0.257 + 1049TIP3 H237804 0.438 2.519 -0.270 + 1049TIP3 OH237805 0.235 2.167 1.123 + 1049TIP3 H137806 0.196 2.140 1.037 + 1049TIP3 H237807 0.327 2.137 1.111 + 1050TIP3 OH237808 0.685 2.715 0.887 + 1050TIP3 H137809 0.588 2.715 0.883 + 1050TIP3 H237810 0.700 2.731 0.981 + 1050TIP3 OH237811 1.284 2.520 1.046 + 1050TIP3 H137812 1.189 2.536 1.028 + 1050TIP3 H237813 1.315 2.496 0.956 + 1050TIP3 OH237814 1.058 2.774 -0.222 + 1050TIP3 H137815 1.025 2.697 -0.173 + 1050TIP3 H237816 1.111 2.736 -0.292 + 1050TIP3 OH237817 0.798 2.280 0.491 + 1050TIP3 H137818 0.702 2.270 0.477 + 1050TIP3 H237819 0.829 2.191 0.470 + 1050TIP3 OH237820 0.052 2.688 0.099 + 1050TIP3 H137821 0.100 2.772 0.100 + 1050TIP3 H237822 -0.039 2.716 0.105 + 1050TIP3 OH237823 0.244 2.910 0.716 + 1050TIP3 H137824 0.301 2.984 0.688 + 1050TIP3 H237825 0.305 2.859 0.772 + 1050TIP3 OH237826 0.090 3.000 0.043 + 1050TIP3 H137827 -0.006 3.012 0.050 + 1050TIP3 H237828 0.123 3.089 0.065 + 1050TIP3 OH237829 0.597 2.479 0.672 + 1050TIP3 H137830 0.559 2.456 0.758 + 1050TIP3 H237831 0.668 2.414 0.664 + 1050TIP3 OH237832 0.794 2.614 -0.428 + 1050TIP3 H137833 0.842 2.569 -0.356 + 1050TIP3 H237834 0.703 2.594 -0.403 + 1050TIP3 OH237835 0.880 2.942 0.914 + 1050TIP3 H137836 0.805 2.894 0.874 + 1050TIP3 H237837 0.888 3.020 0.855 + 1051TIP3 OH237838 1.276 3.041 -0.381 + 1051TIP3 H137839 1.346 3.105 -0.403 + 1051TIP3 H237840 1.200 3.101 -0.381 + 1051TIP3 OH237841 0.919 2.483 -0.190 + 1051TIP3 H137842 0.875 2.404 -0.152 + 1051TIP3 H237843 1.012 2.462 -0.170 + 1051TIP3 OH237844 -0.363 2.858 0.719 + 1051TIP3 H137845 -0.335 2.766 0.724 + 1051TIP3 H237846 -0.334 2.891 0.805 + 1051TIP3 OH237847 0.223 2.716 -0.578 + 1051TIP3 H137848 0.250 2.635 -0.626 + 1051TIP3 H237849 0.194 2.678 -0.493 + 1051TIP3 OH237850 0.141 2.655 -0.305 + 1051TIP3 H137851 0.162 2.608 -0.223 + 1051TIP3 H237852 0.132 2.747 -0.274 + 1051TIP3 OH237853 0.410 2.835 -0.242 + 1051TIP3 H137854 0.324 2.879 -0.227 + 1051TIP3 H237855 0.442 2.881 -0.321 + 1051TIP3 OH237856 0.372 1.878 0.885 + 1051TIP3 H137857 0.392 1.952 0.943 + 1051TIP3 H237858 0.449 1.821 0.896 + 1051TIP3 OH237859 0.127 2.935 -0.244 + 1051TIP3 H137860 0.119 3.017 -0.297 + 1051TIP3 H237861 0.112 2.968 -0.154 + 1051TIP3 OH237862 0.983 2.969 0.501 + 1051TIP3 H137863 0.967 3.052 0.451 + 1051TIP3 H237864 1.075 2.981 0.527 + 1051TIP3 OH237865 -0.371 2.790 0.043 + 1051TIP3 H137866 -0.466 2.793 0.023 + 1051TIP3 H237867 -0.335 2.806 -0.045 + 1052TIP3 OH237868 -0.426 3.059 1.143 + 1052TIP3 H137869 -0.368 3.031 1.216 + 1052TIP3 H237870 -0.464 2.974 1.114 + 1052TIP3 OH237871 0.043 2.966 1.321 + 1052TIP3 H137872 0.112 2.901 1.342 + 1052TIP3 H237873 0.021 2.939 1.230 + 1052TIP3 OH237874 0.448 2.888 -0.527 + 1052TIP3 H137875 0.373 2.826 -0.538 + 1052TIP3 H237876 0.520 2.836 -0.565 + 1052TIP3 OH237877 0.689 2.793 1.181 + 1052TIP3 H137878 0.651 2.711 1.216 + 1052TIP3 H237879 0.760 2.812 1.245 + 1052TIP3 OH237880 0.911 2.880 -0.518 + 1052TIP3 H137881 0.927 2.800 -0.465 + 1052TIP3 H237882 0.991 2.884 -0.573 + 1052TIP3 OH237883 -0.431 2.430 1.252 + 1052TIP3 H137884 -0.416 2.336 1.229 + 1052TIP3 H237885 -0.510 2.451 1.200 + 1052TIP3 OH237886 0.231 2.444 1.191 + 1052TIP3 H137887 0.205 2.474 1.103 + 1052TIP3 H237888 0.245 2.348 1.178 + 1052TIP3 OH237889 0.512 2.588 -0.581 + 1052TIP3 H137890 0.504 2.584 -0.485 + 1052TIP3 H237891 0.500 2.494 -0.605 + 1052TIP3 OH237892 0.767 2.405 0.929 + 1052TIP3 H137893 0.846 2.456 0.905 + 1052TIP3 H237894 0.697 2.472 0.926 + 1052TIP3 OH237895 -0.337 2.160 1.196 + 1052TIP3 H137896 -0.266 2.094 1.183 + 1052TIP3 H237897 -0.336 2.168 1.293 + 1053TIP3 OH237898 0.026 2.059 0.905 + 1053TIP3 H137899 -0.032 2.135 0.923 + 1053TIP3 H237900 0.084 2.095 0.835 + 1053TIP3 OH237901 0.552 2.319 1.272 + 1053TIP3 H137902 0.640 2.299 1.238 + 1053TIP3 H237903 0.525 2.233 1.307 + 1053TIP3 OH237904 1.141 2.320 -0.553 + 1053TIP3 H137905 1.122 2.283 -0.640 + 1053TIP3 H237906 1.137 2.416 -0.572 + 1053TIP3 OH237907 0.075 1.791 1.040 + 1053TIP3 H137908 0.058 1.717 0.980 + 1053TIP3 H237909 0.069 1.868 0.980 + 1053TIP3 OH237910 0.294 2.179 0.817 + 1053TIP3 H137911 0.366 2.169 0.753 + 1053TIP3 H237912 0.242 2.250 0.774 + 1053TIP3 OH237913 0.728 1.965 1.301 + 1053TIP3 H137914 0.746 1.870 1.298 + 1053TIP3 H237915 0.817 2.002 1.287 + 1053TIP3 OH237916 0.824 2.228 1.128 + 1053TIP3 H137917 0.788 2.289 1.061 + 1053TIP3 H237918 0.918 2.224 1.098 + 1053TIP3 OH237919 -0.108 1.954 1.203 + 1053TIP3 H137920 -0.168 1.878 1.204 + 1053TIP3 H237921 -0.030 1.918 1.157 + 1053TIP3 OH237922 0.327 1.805 1.185 + 1053TIP3 H137923 0.292 1.788 1.274 + 1053TIP3 H237924 0.245 1.798 1.132 + 1053TIP3 OH237925 0.586 1.731 1.058 + 1053TIP3 H137926 0.500 1.730 1.102 + 1053TIP3 H237927 0.635 1.660 1.103 + 1054TIP3 OH237928 0.749 1.527 1.251 + 1054TIP3 H137929 0.739 1.436 1.281 + 1054TIP3 H237930 0.731 1.579 1.331 + 1054TIP3 OH237931 -0.287 1.694 1.153 + 1054TIP3 H137932 -0.236 1.620 1.121 + 1054TIP3 H237933 -0.296 1.670 1.248 + 1054TIP3 OH237934 0.266 1.499 1.304 + 1054TIP3 H137935 0.268 1.447 1.223 + 1054TIP3 H237936 0.197 1.567 1.288 + 1054TIP3 OH237937 0.172 3.196 -0.374 + 1054TIP3 H137938 0.267 3.207 -0.362 + 1054TIP3 H237939 0.159 3.242 -0.458 + 1054TIP3 OH237940 -0.429 2.661 -0.458 + 1054TIP3 H137941 -0.368 2.651 -0.384 + 1054TIP3 H237942 -0.462 2.570 -0.470 + 1054TIP3 OH237943 -0.552 3.149 0.045 + 1054TIP3 H137944 -0.623 3.104 -0.003 + 1054TIP3 H237945 -0.531 3.083 0.114 + 1054TIP3 OH237946 -0.509 2.964 0.261 + 1054TIP3 H137947 -0.522 2.869 0.271 + 1054TIP3 H237948 -0.461 2.987 0.342 + 1054TIP3 OH237949 1.256 3.086 0.551 + 1054TIP3 H137950 1.271 3.082 0.647 + 1054TIP3 H237951 1.343 3.115 0.520 + 1054TIP3 OH237952 1.247 3.029 0.839 + 1054TIP3 H137953 1.193 2.955 0.804 + 1054TIP3 H237954 1.299 2.982 0.905 + 1054TIP3 OH237955 1.046 2.572 1.269 + 1054TIP3 H137956 0.957 2.578 1.308 + 1054TIP3 H237957 1.090 2.652 1.301 + 1055TIP3 OH237958 1.191 2.418 -0.120 + 1055TIP3 H137959 1.279 2.457 -0.105 + 1055TIP3 H237960 1.189 2.346 -0.055 + 1055TIP3 OH237961 1.205 2.507 0.538 + 1055TIP3 H137962 1.264 2.453 0.482 + 1055TIP3 H237963 1.219 2.596 0.503 + 1055TIP3 OH237964 1.077 2.803 0.760 + 1055TIP3 H137965 1.002 2.838 0.812 + 1055TIP3 H237966 1.031 2.763 0.684 + 1055TIP3 OH237967 1.264 2.194 -0.301 + 1055TIP3 H137968 1.202 2.206 -0.374 + 1055TIP3 H237969 1.240 2.265 -0.240 + 1055TIP3 OH237970 1.131 1.934 -0.488 + 1055TIP3 H137971 1.095 2.001 -0.545 + 1055TIP3 H237972 1.072 1.858 -0.499 + 1055TIP3 OH237973 1.039 2.041 0.177 + 1055TIP3 H137974 1.043 1.985 0.097 + 1055TIP3 H237975 0.961 2.095 0.167 + 1055TIP3 OH237976 1.091 2.265 1.054 + 1055TIP3 H137977 1.160 2.196 1.047 + 1055TIP3 H237978 1.137 2.343 1.020 + 1055TIP3 OH237979 1.247 2.051 1.158 + 1055TIP3 H137980 1.164 2.007 1.128 + 1055TIP3 H237981 1.312 1.982 1.135 + 1055TIP3 OH237982 1.350 1.419 1.281 + 1055TIP3 H137983 1.330 1.324 1.286 + 1055TIP3 H237984 1.289 1.452 1.216 + 1055TIP3 OH237985 0.943 3.094 0.131 + 1055TIP3 H137986 0.990 3.065 0.051 + 1055TIP3 H237987 1.016 3.124 0.187 + 1056TIP3 OH237988 -0.314 2.760 1.203 + 1056TIP3 H137989 -0.388 2.759 1.141 + 1056TIP3 H237990 -0.359 2.755 1.289 + 1056TIP3 OH237991 -0.033 2.858 0.771 + 1056TIP3 H137992 -0.062 2.944 0.736 + 1056TIP3 H237993 0.063 2.866 0.754 + 1056TIP3 OH237994 0.418 2.992 1.074 + 1056TIP3 H137995 0.434 2.971 1.168 + 1056TIP3 H237996 0.502 3.033 1.048 + 1056TIP3 OH237997 0.649 3.136 0.996 + 1056TIP3 H137998 0.716 3.070 0.973 + 1056TIP3 H237999 0.679 3.165 1.084 + 1056TIP3 OH238000 -0.293 3.155 0.805 + 1056TIP3 H138001 -0.354 3.216 0.760 + 1056TIP3 H238002 -0.328 3.157 0.895 + 1056TIP3 OH238003 -0.044 3.132 0.661 + 1056TIP3 H138004 -0.130 3.149 0.704 + 1056TIP3 H238005 -0.042 3.200 0.592 + 1056TIP3 OH238006 0.430 3.131 0.616 + 1056TIP3 H138007 0.391 3.176 0.538 + 1056TIP3 H238008 0.438 3.205 0.679 + 1056TIP3 OH238009 0.664 3.004 0.708 + 1056TIP3 H138010 0.579 3.038 0.674 + 1056TIP3 H238011 0.719 3.083 0.706 + 1056TIP3 OH238012 0.918 3.176 0.727 + 1056TIP3 H138013 0.913 3.271 0.704 + 1056TIP3 H238014 0.944 3.138 0.642 + 1056TIP3 OH238015 -0.339 3.031 0.496 + 1056TIP3 H138016 -0.346 2.980 0.580 + 1056TIP3 H238017 -0.261 2.987 0.455 + 1057TIP3 OH238018 -0.134 2.898 0.344 + 1057TIP3 H138019 -0.149 2.806 0.371 + 1057TIP3 H238020 -0.044 2.915 0.376 + 1057TIP3 OH238021 0.142 2.957 0.432 + 1057TIP3 H138022 0.162 2.864 0.410 + 1057TIP3 H238023 0.149 2.953 0.529 + 1057TIP3 OH238024 -0.381 2.958 -0.190 + 1057TIP3 H138025 -0.457 2.939 -0.247 + 1057TIP3 H238026 -0.394 3.052 -0.172 + 1057TIP3 OH238027 0.477 3.145 -0.367 + 1057TIP3 H138028 0.574 3.145 -0.370 + 1057TIP3 H238029 0.456 3.078 -0.434 + 1057TIP3 OH238030 1.126 3.046 -0.107 + 1057TIP3 H138031 1.104 2.961 -0.150 + 1057TIP3 H238032 1.124 3.106 -0.183 + 1057TIP3 OH238033 -0.094 1.378 1.252 + 1057TIP3 H138034 -0.019 1.334 1.210 + 1057TIP3 H238035 -0.141 1.304 1.292 + 1057TIP3 OH238036 -0.244 3.059 -0.498 + 1057TIP3 H138037 -0.274 3.078 -0.408 + 1057TIP3 H238038 -0.165 3.005 -0.482 + 1057TIP3 OH238039 1.077 2.924 1.130 + 1057TIP3 H138040 1.004 2.902 1.070 + 1057TIP3 H238041 1.058 3.017 1.151 + 1057TIP3 OH238042 2.497 2.294 0.148 + 1057TIP3 H138043 2.495 2.391 0.147 + 1057TIP3 H238044 2.427 2.271 0.085 + 1057TIP3 OH238045 2.368 2.241 0.453 + 1057TIP3 H138046 2.376 2.181 0.529 + 1057TIP3 H238047 2.358 2.177 0.381 + 1058TIP3 OH238048 1.625 2.196 0.621 + 1058TIP3 H138049 1.625 2.117 0.677 + 1058TIP3 H238050 1.702 2.243 0.655 + 1058TIP3 OH238051 2.749 2.510 0.283 + 1058TIP3 H138052 2.712 2.436 0.335 + 1058TIP3 H238053 2.779 2.569 0.353 + 1058TIP3 OH238054 1.725 2.649 0.453 + 1058TIP3 H138055 1.682 2.564 0.428 + 1058TIP3 H238056 1.788 2.615 0.518 + 1058TIP3 OH238057 1.468 2.240 0.218 + 1058TIP3 H138058 1.454 2.145 0.230 + 1058TIP3 H238059 1.530 2.240 0.145 + 1058TIP3 OH238060 2.453 3.042 0.339 + 1058TIP3 H138061 2.514 2.972 0.308 + 1058TIP3 H238062 2.431 3.011 0.428 + 1058TIP3 OH238063 2.220 2.495 0.490 + 1058TIP3 H138064 2.253 2.413 0.450 + 1058TIP3 H238065 2.295 2.516 0.547 + 1058TIP3 OH238066 3.098 1.635 0.576 + 1058TIP3 H138067 3.120 1.698 0.646 + 1058TIP3 H238068 3.154 1.667 0.503 + 1058TIP3 OH238069 2.576 1.908 0.561 + 1058TIP3 H138070 2.541 1.817 0.571 + 1058TIP3 H238071 2.553 1.922 0.468 + 1058TIP3 OH238072 2.659 1.734 0.089 + 1058TIP3 H138073 2.702 1.702 0.171 + 1058TIP3 H238074 2.728 1.789 0.050 + 1058TIP3 OH238075 1.611 1.985 0.348 + 1058TIP3 H138076 1.644 1.917 0.407 + 1058TIP3 H238077 1.571 1.936 0.275 + 1059TIP3 OH238078 2.067 2.135 0.267 + 1059TIP3 H138079 2.138 2.081 0.306 + 1059TIP3 H238080 2.017 2.067 0.218 + 1059TIP3 OH238081 3.172 1.777 0.821 + 1059TIP3 H138082 3.112 1.847 0.791 + 1059TIP3 H238083 3.144 1.769 0.914 + 1059TIP3 OH238084 2.469 2.566 0.025 + 1059TIP3 H138085 2.469 2.554 -0.071 + 1059TIP3 H238086 2.445 2.660 0.034 + 1059TIP3 OH238087 2.036 2.389 0.698 + 1059TIP3 H138088 1.958 2.443 0.722 + 1059TIP3 H238089 2.092 2.453 0.651 + 1059TIP3 OH238090 2.834 1.660 0.306 + 1059TIP3 H138091 2.786 1.597 0.361 + 1059TIP3 H238092 2.872 1.721 0.370 + 1059TIP3 OH238093 1.827 2.577 0.756 + 1059TIP3 H138094 1.823 2.674 0.747 + 1059TIP3 H238095 1.745 2.560 0.806 + 1059TIP3 OH238096 1.457 2.542 -0.146 + 1059TIP3 H138097 1.431 2.590 -0.227 + 1059TIP3 H238098 1.470 2.614 -0.081 + 1059TIP3 OH238099 2.806 2.689 0.532 + 1059TIP3 H138100 2.709 2.701 0.535 + 1059TIP3 H238101 2.834 2.776 0.496 + 1059TIP3 OH238102 2.824 1.580 0.679 + 1059TIP3 H138103 2.753 1.638 0.648 + 1059TIP3 H238104 2.895 1.597 0.615 + 1059TIP3 OH238105 2.115 1.331 0.355 + 1059TIP3 H138106 2.130 1.250 0.404 + 1059TIP3 H238107 2.068 1.389 0.416 + 1060TIP3 OH238108 2.633 2.883 0.183 + 1060TIP3 H138109 2.685 2.804 0.158 + 1060TIP3 H238110 2.703 2.952 0.179 + 1060TIP3 OH238111 2.775 2.671 0.054 + 1060TIP3 H138112 2.740 2.620 -0.020 + 1060TIP3 H238113 2.775 2.605 0.126 + 1060TIP3 OH238114 2.937 2.552 0.900 + 1060TIP3 H138115 2.924 2.487 0.829 + 1060TIP3 H238116 2.948 2.635 0.850 + 1060TIP3 OH238117 2.355 2.262 -0.132 + 1060TIP3 H138118 2.289 2.285 -0.198 + 1060TIP3 H238119 2.434 2.248 -0.188 + 1060TIP3 OH238120 2.391 2.060 -0.424 + 1060TIP3 H138121 2.462 2.091 -0.364 + 1060TIP3 H238122 2.443 2.005 -0.485 + 1060TIP3 OH238123 3.112 2.170 0.695 + 1060TIP3 H138124 3.039 2.234 0.703 + 1060TIP3 H238125 3.158 2.205 0.616 + 1060TIP3 OH238126 2.713 2.244 -0.020 + 1060TIP3 H138127 2.644 2.261 0.048 + 1060TIP3 H238128 2.771 2.183 0.029 + 1060TIP3 OH238129 2.698 2.099 0.861 + 1060TIP3 H138130 2.699 2.182 0.911 + 1060TIP3 H238131 2.631 2.122 0.795 + 1060TIP3 OH238132 1.906 2.360 0.146 + 1060TIP3 H138133 1.855 2.311 0.079 + 1060TIP3 H238134 1.956 2.287 0.188 + 1060TIP3 OH238135 1.926 2.206 0.503 + 1060TIP3 H138136 1.989 2.198 0.430 + 1060TIP3 H238137 1.975 2.261 0.568 + 1061TIP3 OH238138 2.522 2.752 0.562 + 1061TIP3 H138139 2.528 2.818 0.633 + 1061TIP3 H238140 2.503 2.669 0.609 + 1061TIP3 OH238141 2.016 2.635 0.986 + 1061TIP3 H138142 1.965 2.698 1.040 + 1061TIP3 H238143 1.950 2.605 0.922 + 1061TIP3 OH238144 2.605 2.190 -0.276 + 1061TIP3 H138145 2.655 2.214 -0.195 + 1061TIP3 H238146 2.656 2.238 -0.345 + 1061TIP3 OH238147 1.708 2.280 0.896 + 1061TIP3 H138148 1.710 2.327 0.982 + 1061TIP3 H238149 1.613 2.259 0.888 + 1061TIP3 OH238150 2.332 2.844 0.095 + 1061TIP3 H138151 2.404 2.874 0.153 + 1061TIP3 H238152 2.306 2.926 0.050 + 1061TIP3 OH238153 1.824 2.852 1.071 + 1061TIP3 H138154 1.811 2.851 0.974 + 1061TIP3 H238155 1.737 2.824 1.105 + 1061TIP3 OH238156 2.927 1.367 -0.335 + 1061TIP3 H138157 2.860 1.368 -0.267 + 1061TIP3 H238158 2.979 1.446 -0.315 + 1061TIP3 OH238159 1.766 2.194 -0.078 + 1061TIP3 H138160 1.742 2.261 -0.144 + 1061TIP3 H238161 1.707 2.121 -0.102 + 1061TIP3 OH238162 3.088 2.774 -0.467 + 1061TIP3 H138163 3.105 2.868 -0.450 + 1061TIP3 H238164 3.177 2.735 -0.453 + 1061TIP3 OH238165 1.372 2.460 0.778 + 1061TIP3 H138166 1.323 2.457 0.694 + 1061TIP3 H238167 1.383 2.364 0.796 + 1062TIP3 OH238168 1.375 2.760 0.471 + 1062TIP3 H138169 1.464 2.723 0.484 + 1062TIP3 H238170 1.366 2.814 0.550 + 1062TIP3 OH238171 3.214 2.815 1.052 + 1062TIP3 H138172 3.203 2.720 1.033 + 1062TIP3 H238173 3.123 2.838 1.081 + 1062TIP3 OH238174 2.278 2.739 0.930 + 1062TIP3 H138175 2.287 2.820 0.985 + 1062TIP3 H238176 2.189 2.707 0.956 + 1062TIP3 OH238177 2.309 3.115 -0.070 + 1062TIP3 H138178 2.308 3.126 -0.167 + 1062TIP3 H238179 2.311 3.208 -0.039 + 1062TIP3 OH238180 1.685 3.034 0.089 + 1062TIP3 H138181 1.702 2.986 0.173 + 1062TIP3 H238182 1.603 2.993 0.060 + 1062TIP3 OH238183 2.639 3.061 -0.353 + 1062TIP3 H138184 2.697 2.997 -0.398 + 1062TIP3 H238185 2.634 3.022 -0.263 + 1062TIP3 OH238186 2.577 3.001 -0.075 + 1062TIP3 H138187 2.483 3.020 -0.058 + 1062TIP3 H238188 2.598 2.936 -0.005 + 1062TIP3 OH238189 2.896 1.951 1.091 + 1062TIP3 H138190 2.838 1.989 1.023 + 1062TIP3 H238191 2.895 1.857 1.066 + 1062TIP3 OH238192 1.589 2.616 0.904 + 1062TIP3 H138193 1.617 2.570 0.986 + 1062TIP3 H238194 1.516 2.560 0.872 + 1062TIP3 OH238195 1.869 1.471 0.474 + 1062TIP3 H138196 1.780 1.439 0.456 + 1062TIP3 H238197 1.856 1.537 0.543 + 1063TIP3 OH238198 2.351 1.420 0.854 + 1063TIP3 H138199 2.394 1.353 0.911 + 1063TIP3 H238200 2.257 1.396 0.856 + 1063TIP3 OH238201 2.674 1.804 0.913 + 1063TIP3 H138202 2.599 1.783 0.972 + 1063TIP3 H238203 2.652 1.894 0.883 + 1063TIP3 OH238204 2.764 2.294 -0.479 + 1063TIP3 H138205 2.749 2.275 -0.574 + 1063TIP3 H238206 2.857 2.320 -0.483 + 1063TIP3 OH238207 2.285 1.651 -0.460 + 1063TIP3 H138208 2.266 1.665 -0.366 + 1063TIP3 H238209 2.277 1.555 -0.466 + 1063TIP3 OH238210 1.866 1.905 0.607 + 1063TIP3 H138211 1.803 1.923 0.679 + 1063TIP3 H238212 1.870 1.991 0.562 + 1063TIP3 OH238213 1.903 1.936 0.113 + 1063TIP3 H138214 1.807 1.944 0.098 + 1063TIP3 H238215 1.934 1.918 0.022 + 1063TIP3 OH238216 2.460 2.017 -0.008 + 1063TIP3 H138217 2.403 2.082 -0.052 + 1063TIP3 H238218 2.513 1.982 -0.081 + 1063TIP3 OH238219 2.368 2.027 1.125 + 1063TIP3 H138220 2.317 1.950 1.157 + 1063TIP3 H238221 2.456 2.011 1.163 + 1063TIP3 OH238222 2.549 1.966 0.264 + 1063TIP3 H138223 2.509 2.004 0.183 + 1063TIP3 H238224 2.537 1.870 0.245 + 1063TIP3 OH238225 1.629 1.939 0.805 + 1063TIP3 H138226 1.643 1.967 0.897 + 1063TIP3 H238227 1.564 1.867 0.814 + 1064TIP3 OH238228 1.430 1.742 -0.259 + 1064TIP3 H138229 1.499 1.795 -0.299 + 1064TIP3 H238230 1.375 1.806 -0.211 + 1064TIP3 OH238231 2.452 2.109 0.710 + 1064TIP3 H138232 2.494 2.035 0.660 + 1064TIP3 H238233 2.411 2.060 0.784 + 1064TIP3 OH238234 2.110 1.685 0.217 + 1064TIP3 H138235 2.060 1.729 0.287 + 1064TIP3 H238236 2.194 1.667 0.265 + 1064TIP3 OH238237 1.629 1.854 0.042 + 1064TIP3 H138238 1.544 1.902 0.023 + 1064TIP3 H238239 1.604 1.769 0.005 + 1064TIP3 OH238240 1.974 1.849 -0.142 + 1064TIP3 H138241 2.071 1.861 -0.137 + 1064TIP3 H238242 1.948 1.903 -0.220 + 1064TIP3 OH238243 1.843 1.993 -0.369 + 1064TIP3 H138244 1.774 1.960 -0.430 + 1064TIP3 H238245 1.916 2.011 -0.431 + 1064TIP3 OH238246 2.906 3.200 1.182 + 1064TIP3 H138247 2.927 3.245 1.099 + 1064TIP3 H238248 2.976 3.231 1.241 + 1064TIP3 OH238249 1.697 2.467 1.126 + 1064TIP3 H138250 1.764 2.471 1.197 + 1064TIP3 H238251 1.616 2.459 1.180 + 1064TIP3 OH238252 2.267 1.959 0.401 + 1064TIP3 H138253 2.330 1.899 0.356 + 1064TIP3 H238254 2.245 1.896 0.472 + 1064TIP3 OH238255 2.139 1.808 0.635 + 1064TIP3 H138256 2.066 1.871 0.635 + 1064TIP3 H238257 2.197 1.840 0.707 + 1065TIP3 OH238258 2.139 2.470 -0.150 + 1065TIP3 H138259 2.087 2.407 -0.204 + 1065TIP3 H238260 2.171 2.412 -0.079 + 1065TIP3 OH238261 2.902 2.364 0.684 + 1065TIP3 H138262 2.950 2.418 0.619 + 1065TIP3 H238263 2.816 2.351 0.639 + 1065TIP3 OH238264 2.589 1.725 -0.424 + 1065TIP3 H138265 2.492 1.723 -0.414 + 1065TIP3 H238266 2.614 1.795 -0.360 + 1065TIP3 OH238267 2.344 2.450 0.943 + 1065TIP3 H138268 2.314 2.414 1.028 + 1065TIP3 H238269 2.312 2.541 0.945 + 1065TIP3 OH238270 2.670 1.910 -0.223 + 1065TIP3 H138271 2.753 1.898 -0.174 + 1065TIP3 H238272 2.678 2.001 -0.256 + 1065TIP3 OH238273 1.700 2.380 0.384 + 1065TIP3 H138274 1.758 2.361 0.309 + 1065TIP3 H238275 1.694 2.293 0.427 + 1065TIP3 OH238276 2.419 2.583 -0.292 + 1065TIP3 H138277 2.389 2.671 -0.259 + 1065TIP3 H238278 2.345 2.527 -0.268 + 1065TIP3 OH238279 1.418 2.214 0.918 + 1065TIP3 H138280 1.429 2.162 1.001 + 1065TIP3 H238281 1.354 2.161 0.866 + 1065TIP3 OH238282 2.113 2.164 1.111 + 1065TIP3 H138283 2.085 2.139 1.021 + 1065TIP3 H238284 2.205 2.133 1.109 + 1065TIP3 OH238285 2.570 2.711 0.889 + 1065TIP3 H138286 2.473 2.715 0.884 + 1065TIP3 H238287 2.586 2.732 0.982 + 1066TIP3 OH238288 3.167 1.902 -0.264 + 1066TIP3 H138289 3.091 1.883 -0.324 + 1066TIP3 H238290 3.154 1.999 -0.256 + 1066TIP3 OH238291 3.168 2.517 1.047 + 1066TIP3 H138292 3.074 2.538 1.028 + 1066TIP3 H238293 3.201 2.498 0.957 + 1066TIP3 OH238294 2.940 2.772 -0.223 + 1066TIP3 H138295 2.925 2.692 -0.171 + 1066TIP3 H238296 2.996 2.741 -0.296 + 1066TIP3 OH238297 2.667 2.308 0.513 + 1066TIP3 H138298 2.574 2.290 0.491 + 1066TIP3 H238299 2.711 2.234 0.466 + 1066TIP3 OH238300 1.527 2.204 -0.419 + 1066TIP3 H138301 1.581 2.271 -0.373 + 1066TIP3 H238302 1.438 2.218 -0.380 + 1066TIP3 OH238303 2.132 2.910 0.713 + 1066TIP3 H138304 2.188 2.987 0.692 + 1066TIP3 H238305 2.190 2.860 0.773 + 1066TIP3 OH238306 1.979 2.969 0.060 + 1066TIP3 H138307 1.884 2.990 0.056 + 1066TIP3 H238308 2.017 3.057 0.075 + 1066TIP3 OH238309 2.470 2.488 0.673 + 1066TIP3 H138310 2.439 2.457 0.760 + 1066TIP3 H238311 2.540 2.424 0.652 + 1066TIP3 OH238312 2.686 2.615 -0.433 + 1066TIP3 H138313 2.730 2.572 -0.358 + 1066TIP3 H238314 2.593 2.600 -0.407 + 1066TIP3 OH238315 2.766 2.942 0.913 + 1066TIP3 H138316 2.690 2.895 0.872 + 1066TIP3 H238317 2.775 3.021 0.856 + 1067TIP3 OH238318 3.161 3.042 -0.380 + 1067TIP3 H138319 3.232 3.104 -0.404 + 1067TIP3 H238320 3.085 3.103 -0.383 + 1067TIP3 OH238321 2.784 2.479 -0.191 + 1067TIP3 H138322 2.759 2.402 -0.136 + 1067TIP3 H238323 2.881 2.474 -0.189 + 1067TIP3 OH238324 1.532 2.852 0.720 + 1067TIP3 H138325 1.552 2.760 0.746 + 1067TIP3 H238326 1.546 2.896 0.805 + 1067TIP3 OH238327 2.112 2.721 -0.578 + 1067TIP3 H138328 2.140 2.643 -0.628 + 1067TIP3 H238329 2.069 2.681 -0.501 + 1067TIP3 OH238330 2.002 2.673 -0.309 + 1067TIP3 H138331 2.049 2.617 -0.244 + 1067TIP3 H238332 2.016 2.763 -0.275 + 1067TIP3 OH238333 1.682 2.418 -0.262 + 1067TIP3 H138334 1.606 2.453 -0.212 + 1067TIP3 H238335 1.722 2.500 -0.295 + 1067TIP3 OH238336 2.444 1.694 0.758 + 1067TIP3 H138337 2.525 1.673 0.806 + 1067TIP3 H238338 2.404 1.606 0.746 + 1067TIP3 OH238339 2.490 1.668 -0.148 + 1067TIP3 H138340 2.563 1.669 -0.210 + 1067TIP3 H238341 2.536 1.669 -0.062 + 1067TIP3 OH238342 2.292 2.836 -0.239 + 1067TIP3 H138343 2.208 2.885 -0.229 + 1067TIP3 H238344 2.329 2.879 -0.318 + 1067TIP3 OH238345 2.232 1.816 -0.037 + 1067TIP3 H138346 2.326 1.840 -0.030 + 1067TIP3 H238347 2.216 1.778 0.051 + 1068TIP3 OH238348 2.287 1.899 0.870 + 1068TIP3 H138349 2.306 1.939 0.956 + 1068TIP3 H238350 2.343 1.818 0.870 + 1068TIP3 OH238351 2.013 2.942 -0.239 + 1068TIP3 H138352 2.004 3.020 -0.297 + 1068TIP3 H238353 1.997 2.980 -0.151 + 1068TIP3 OH238354 2.920 1.695 0.958 + 1068TIP3 H138355 2.824 1.715 0.948 + 1068TIP3 H238356 2.940 1.676 0.865 + 1068TIP3 OH238357 2.774 2.086 0.364 + 1068TIP3 H138358 2.688 2.046 0.334 + 1068TIP3 H238359 2.815 2.010 0.410 + 1068TIP3 OH238360 1.725 2.694 -0.389 + 1068TIP3 H138361 1.799 2.746 -0.353 + 1068TIP3 H238362 1.772 2.645 -0.458 + 1068TIP3 OH238363 1.564 1.934 -0.481 + 1068TIP3 H138364 1.552 2.023 -0.441 + 1068TIP3 H238365 1.474 1.902 -0.489 + 1068TIP3 OH238366 2.869 2.968 0.501 + 1068TIP3 H138367 2.853 3.050 0.451 + 1068TIP3 H238368 2.961 2.981 0.526 + 1068TIP3 OH238369 1.519 2.765 0.028 + 1068TIP3 H138370 1.441 2.817 0.052 + 1068TIP3 H238371 1.557 2.819 -0.044 + 1068TIP3 OH238372 1.460 3.059 1.142 + 1068TIP3 H138373 1.518 3.030 1.215 + 1068TIP3 H238374 1.421 2.973 1.115 + 1068TIP3 OH238375 1.929 2.967 1.320 + 1068TIP3 H138376 1.997 2.901 1.343 + 1068TIP3 H238377 1.906 2.938 1.230 + 1069TIP3 OH238378 2.335 2.889 -0.523 + 1069TIP3 H138379 2.260 2.827 -0.539 + 1069TIP3 H238380 2.407 2.839 -0.566 + 1069TIP3 OH238381 2.577 2.791 1.179 + 1069TIP3 H138382 2.537 2.711 1.216 + 1069TIP3 H238383 2.645 2.813 1.244 + 1069TIP3 OH238384 2.797 2.882 -0.517 + 1069TIP3 H138385 2.815 2.801 -0.467 + 1069TIP3 H238386 2.875 2.887 -0.576 + 1069TIP3 OH238387 1.456 2.423 1.254 + 1069TIP3 H138388 1.465 2.331 1.223 + 1069TIP3 H238389 1.379 2.452 1.203 + 1069TIP3 OH238390 1.877 2.466 -0.543 + 1069TIP3 H138391 1.890 2.402 -0.471 + 1069TIP3 H238392 1.962 2.458 -0.590 + 1069TIP3 OH238393 2.119 2.440 1.188 + 1069TIP3 H138394 2.088 2.471 1.102 + 1069TIP3 H238395 2.125 2.343 1.174 + 1069TIP3 OH238396 2.398 2.596 -0.582 + 1069TIP3 H138397 2.398 2.591 -0.485 + 1069TIP3 H238398 2.396 2.501 -0.605 + 1069TIP3 OH238399 2.655 2.402 0.928 + 1069TIP3 H138400 2.733 2.456 0.907 + 1069TIP3 H238401 2.584 2.468 0.925 + 1069TIP3 OH238402 1.546 2.138 1.168 + 1069TIP3 H138403 1.618 2.073 1.170 + 1069TIP3 H238404 1.533 2.154 1.263 + 1069TIP3 OH238405 1.995 2.273 -0.298 + 1069TIP3 H138406 1.927 2.222 -0.252 + 1069TIP3 H238407 2.020 2.210 -0.369 + 1070TIP3 OH238408 1.912 2.040 0.897 + 1070TIP3 H138409 1.858 2.114 0.927 + 1070TIP3 H238410 1.978 2.084 0.841 + 1070TIP3 OH238411 2.086 2.084 -0.482 + 1070TIP3 H138412 2.078 2.075 -0.579 + 1070TIP3 H238413 2.182 2.075 -0.470 + 1070TIP3 OH238414 2.438 2.320 1.272 + 1070TIP3 H138415 2.527 2.299 1.240 + 1070TIP3 H238416 2.411 2.235 1.310 + 1070TIP3 OH238417 3.032 2.312 -0.569 + 1070TIP3 H138418 3.035 2.277 -0.659 + 1070TIP3 H238419 3.028 2.408 -0.586 + 1070TIP3 OH238420 1.967 1.778 1.026 + 1070TIP3 H138421 1.968 1.709 0.958 + 1070TIP3 H238422 1.948 1.858 0.973 + 1070TIP3 OH238423 1.970 1.620 0.750 + 1070TIP3 H138424 2.041 1.672 0.707 + 1070TIP3 H238425 1.892 1.663 0.713 + 1070TIP3 OH238426 2.154 2.169 0.815 + 1070TIP3 H138427 2.237 2.155 0.767 + 1070TIP3 H238428 2.128 2.258 0.784 + 1070TIP3 OH238429 2.612 1.964 1.295 + 1070TIP3 H138430 2.632 1.869 1.302 + 1070TIP3 H238431 2.701 2.002 1.287 + 1070TIP3 OH238432 2.711 2.242 1.143 + 1070TIP3 H138433 2.674 2.302 1.074 + 1070TIP3 H238434 2.798 2.225 1.104 + 1070TIP3 OH238435 1.789 1.962 1.203 + 1070TIP3 H138436 1.730 1.884 1.205 + 1070TIP3 H238437 1.869 1.925 1.163 + 1071TIP3 OH238438 2.075 1.363 0.818 + 1071TIP3 H138439 2.043 1.454 0.795 + 1071TIP3 H238440 2.008 1.309 0.769 + 1071TIP3 OH238441 2.198 1.816 1.189 + 1071TIP3 H138442 2.161 1.792 1.276 + 1071TIP3 H238443 2.121 1.796 1.133 + 1071TIP3 OH238444 2.458 1.724 1.080 + 1071TIP3 H138445 2.365 1.723 1.110 + 1071TIP3 H238446 2.498 1.654 1.134 + 1071TIP3 OH238447 2.647 1.567 1.252 + 1071TIP3 H138448 2.621 1.474 1.261 + 1071TIP3 H238449 2.617 1.608 1.335 + 1071TIP3 OH238450 1.639 1.705 1.178 + 1071TIP3 H138451 1.638 1.627 1.121 + 1071TIP3 H238452 1.628 1.664 1.267 + 1071TIP3 OH238453 2.091 1.277 1.097 + 1071TIP3 H138454 2.168 1.219 1.095 + 1071TIP3 H238455 2.077 1.295 1.002 + 1071TIP3 OH238456 2.149 1.490 1.276 + 1071TIP3 H138457 2.126 1.426 1.206 + 1071TIP3 H238458 2.075 1.553 1.273 + 1071TIP3 OH238459 2.058 3.194 -0.374 + 1071TIP3 H138460 2.154 3.207 -0.364 + 1071TIP3 H238461 2.042 3.241 -0.457 + 1071TIP3 OH238462 1.447 2.637 -0.425 + 1071TIP3 H138463 1.543 2.654 -0.408 + 1071TIP3 H238464 1.450 2.557 -0.481 + 1071TIP3 OH238465 1.347 3.157 0.052 + 1071TIP3 H138466 1.275 3.118 -0.002 + 1071TIP3 H238467 1.358 3.087 0.121 + 1072TIP3 OH238468 1.387 2.958 0.250 + 1072TIP3 H138469 1.357 2.871 0.282 + 1072TIP3 H238470 1.419 2.994 0.334 + 1072TIP3 OH238471 3.140 3.085 0.552 + 1072TIP3 H138472 3.158 3.082 0.648 + 1072TIP3 H238473 3.226 3.114 0.518 + 1072TIP3 OH238474 3.131 3.029 0.840 + 1072TIP3 H138475 3.079 2.955 0.804 + 1072TIP3 H238476 3.187 2.982 0.904 + 1072TIP3 OH238477 2.931 2.572 1.269 + 1072TIP3 H138478 2.842 2.579 1.308 + 1072TIP3 H238479 2.976 2.652 1.300 + 1072TIP3 OH238480 3.069 2.461 -0.159 + 1072TIP3 H138481 3.160 2.495 -0.145 + 1072TIP3 H238482 3.064 2.397 -0.085 + 1072TIP3 OH238483 3.116 2.257 0.039 + 1072TIP3 H138484 3.048 2.202 0.083 + 1072TIP3 H238485 3.184 2.270 0.108 + 1072TIP3 OH238486 3.090 2.508 0.538 + 1072TIP3 H138487 3.151 2.459 0.481 + 1072TIP3 H238488 3.103 2.600 0.507 + 1072TIP3 OH238489 2.961 2.800 0.761 + 1072TIP3 H138490 2.888 2.840 0.812 + 1072TIP3 H238491 2.915 2.763 0.684 + 1072TIP3 OH238492 3.142 2.193 -0.301 + 1072TIP3 H138493 3.088 2.218 -0.378 + 1072TIP3 H238494 3.132 2.270 -0.244 + 1072TIP3 OH238495 2.980 1.953 -0.477 + 1072TIP3 H138496 2.986 2.017 -0.550 + 1072TIP3 H238497 2.947 1.875 -0.524 + 1073TIP3 OH238498 2.912 2.068 0.121 + 1073TIP3 H138499 2.899 1.973 0.106 + 1073TIP3 H238500 2.872 2.080 0.209 + 1073TIP3 OH238501 1.391 2.286 0.486 + 1073TIP3 H138502 1.416 2.286 0.392 + 1073TIP3 H238503 1.477 2.265 0.529 + 1073TIP3 OH238504 2.971 2.265 1.035 + 1073TIP3 H138505 3.044 2.202 1.052 + 1073TIP3 H238506 3.018 2.347 1.017 + 1073TIP3 OH238507 3.127 2.075 1.157 + 1073TIP3 H138508 3.047 2.022 1.134 + 1073TIP3 H238509 3.196 2.006 1.154 + 1073TIP3 OH238510 2.913 1.684 -0.552 + 1073TIP3 H138511 2.963 1.631 -0.489 + 1073TIP3 H238512 2.830 1.635 -0.561 + 1073TIP3 OH238513 2.907 1.819 -0.070 + 1073TIP3 H138514 2.922 1.722 -0.064 + 1073TIP3 H238515 2.990 1.849 -0.107 + 1073TIP3 OH238516 2.923 1.879 0.482 + 1073TIP3 H138517 3.020 1.893 0.484 + 1073TIP3 H238518 2.903 1.887 0.577 + 1073TIP3 OH238519 2.938 1.950 0.763 + 1073TIP3 H138520 2.852 1.985 0.792 + 1073TIP3 H238521 2.987 2.032 0.744 + 1073TIP3 OH238522 1.356 1.794 1.099 + 1073TIP3 H138523 1.449 1.770 1.115 + 1073TIP3 H238524 1.309 1.720 1.138 + 1073TIP3 OH238525 3.196 1.368 1.295 + 1073TIP3 H138526 3.234 1.298 1.238 + 1073TIP3 H238527 3.195 1.445 1.235 + 1074TIP3 OH238528 2.927 1.523 -0.072 + 1074TIP3 H138529 2.946 1.501 0.021 + 1074TIP3 H238530 2.839 1.483 -0.082 + 1074TIP3 OH238531 1.339 1.952 0.496 + 1074TIP3 H138532 1.382 1.942 0.411 + 1074TIP3 H238533 1.380 2.030 0.532 + 1074TIP3 OH238534 3.129 1.570 1.118 + 1074TIP3 H138535 3.042 1.614 1.123 + 1074TIP3 H238536 3.117 1.517 1.037 + 1074TIP3 OH238537 3.158 1.586 -0.381 + 1074TIP3 H138538 3.170 1.507 -0.437 + 1074TIP3 H238539 3.202 1.654 -0.432 + 1074TIP3 OH238540 2.829 3.087 0.133 + 1074TIP3 H138541 2.875 3.065 0.051 + 1074TIP3 H238542 2.900 3.128 0.185 + 1074TIP3 OH238543 1.570 2.766 1.204 + 1074TIP3 H138544 1.497 2.757 1.141 + 1074TIP3 H238545 1.526 2.753 1.289 + 1074TIP3 OH238546 1.855 2.856 0.768 + 1074TIP3 H138547 1.822 2.942 0.738 + 1074TIP3 H238548 1.951 2.870 0.756 + 1074TIP3 OH238549 2.305 2.989 1.073 + 1074TIP3 H138550 2.319 2.972 1.167 + 1074TIP3 H238551 2.389 3.034 1.048 + 1074TIP3 OH238552 2.534 3.135 0.996 + 1074TIP3 H138553 2.603 3.070 0.975 + 1074TIP3 H238554 2.564 3.166 1.084 + 1074TIP3 OH238555 3.017 1.394 0.914 + 1074TIP3 H138556 2.935 1.414 0.865 + 1074TIP3 H238557 3.037 1.304 0.880 + 1075TIP3 OH238558 1.592 3.154 0.804 + 1075TIP3 H138559 1.532 3.217 0.761 + 1075TIP3 H238560 1.559 3.158 0.895 + 1075TIP3 OH238561 1.840 3.130 0.657 + 1075TIP3 H138562 1.756 3.149 0.702 + 1075TIP3 H238563 1.845 3.202 0.591 + 1075TIP3 OH238564 2.314 3.131 0.616 + 1075TIP3 H138565 2.279 3.179 0.538 + 1075TIP3 H238566 2.325 3.205 0.680 + 1075TIP3 OH238567 2.549 3.003 0.706 + 1075TIP3 H138568 2.464 3.039 0.675 + 1075TIP3 H238569 2.605 3.082 0.707 + 1075TIP3 OH238570 2.802 3.176 0.727 + 1075TIP3 H138571 2.798 3.271 0.705 + 1075TIP3 H238572 2.830 3.139 0.641 + 1075TIP3 OH238573 1.550 3.034 0.500 + 1075TIP3 H138574 1.547 2.985 0.585 + 1075TIP3 H238575 1.626 2.991 0.457 + 1075TIP3 OH238576 1.756 2.903 0.336 + 1075TIP3 H138577 1.738 2.812 0.371 + 1075TIP3 H238578 1.841 2.925 0.378 + 1075TIP3 OH238579 2.023 2.944 0.437 + 1075TIP3 H138580 2.066 2.860 0.425 + 1075TIP3 H238581 2.035 2.957 0.533 + 1075TIP3 OH238582 2.854 1.347 0.409 + 1075TIP3 H138583 2.923 1.392 0.357 + 1075TIP3 H238584 2.773 1.362 0.355 + 1075TIP3 OH238585 3.056 1.462 0.178 + 1075TIP3 H138586 3.131 1.413 0.141 + 1075TIP3 H238587 3.092 1.549 0.200 + 1076TIP3 OH238588 2.625 1.354 0.251 + 1076TIP3 H138589 2.597 1.382 0.163 + 1076TIP3 H238590 2.573 1.274 0.262 + 1076TIP3 OH238591 1.495 2.960 -0.178 + 1076TIP3 H138592 1.431 2.948 -0.250 + 1076TIP3 H238593 1.493 3.056 -0.169 + 1076TIP3 OH238594 2.132 1.557 -0.200 + 1076TIP3 H138595 2.176 1.503 -0.134 + 1076TIP3 H238596 2.137 1.646 -0.162 + 1076TIP3 OH238597 2.361 3.142 -0.364 + 1076TIP3 H138598 2.458 3.146 -0.370 + 1076TIP3 H238599 2.342 3.078 -0.434 + 1076TIP3 OH238600 3.009 3.047 -0.107 + 1076TIP3 H138601 2.989 2.962 -0.151 + 1076TIP3 H238602 3.013 3.107 -0.183 + 1076TIP3 OH238603 1.576 1.418 1.060 + 1076TIP3 H138604 1.528 1.372 1.130 + 1076TIP3 H238605 1.667 1.415 1.093 + 1076TIP3 OH238606 1.826 1.374 1.235 + 1076TIP3 H138607 1.902 1.322 1.204 + 1076TIP3 H238608 1.780 1.309 1.293 + 1076TIP3 OH238609 1.639 3.057 -0.498 + 1076TIP3 H138610 1.615 3.083 -0.408 + 1076TIP3 H238611 1.714 2.998 -0.485 + 1076TIP3 OH238612 2.625 1.289 1.260 + 1076TIP3 H138613 2.634 1.252 1.350 + 1076TIP3 H238614 2.718 1.288 1.230 + 1076TIP3 OH238615 2.963 2.923 1.131 + 1076TIP3 H138616 2.889 2.903 1.070 + 1076TIP3 H238617 2.944 3.017 1.151 + 1077TIP3 OH238618 4.211 2.201 0.458 + 1077TIP3 H138619 4.291 2.227 0.509 + 1077TIP3 H238620 4.245 2.196 0.368 + 1077TIP3 OH238621 3.515 2.192 0.618 + 1077TIP3 H138622 3.513 2.118 0.681 + 1077TIP3 H238623 3.586 2.247 0.655 + 1077TIP3 OH238624 3.581 2.657 0.468 + 1077TIP3 H138625 3.557 2.565 0.443 + 1077TIP3 H238626 3.674 2.644 0.491 + 1077TIP3 OH238627 3.281 2.000 -0.007 + 1077TIP3 H138628 3.241 2.085 0.015 + 1077TIP3 H238629 3.203 1.944 -0.018 + 1077TIP3 OH238630 3.360 2.241 0.190 + 1077TIP3 H138631 3.376 2.160 0.243 + 1077TIP3 H238632 3.446 2.255 0.149 + 1077TIP3 OH238633 4.120 2.486 0.518 + 1077TIP3 H138634 4.145 2.411 0.462 + 1077TIP3 H238635 4.204 2.507 0.561 + 1077TIP3 OH238636 3.742 1.721 0.267 + 1077TIP3 H138637 3.759 1.806 0.223 + 1077TIP3 H238638 3.710 1.668 0.192 + 1077TIP3 OH238639 3.413 1.994 0.317 + 1077TIP3 H138640 3.474 1.947 0.377 + 1077TIP3 H238641 3.422 1.943 0.235 + 1077TIP3 OH238642 3.952 2.129 0.264 + 1077TIP3 H138643 4.027 2.077 0.300 + 1077TIP3 H238644 3.902 2.059 0.218 + 1077TIP3 OH238645 3.624 1.598 0.682 + 1077TIP3 H138646 3.584 1.649 0.610 + 1077TIP3 H238647 3.558 1.612 0.753 + 1078TIP3 OH238648 3.915 2.381 0.697 + 1078TIP3 H138649 3.843 2.442 0.722 + 1078TIP3 H238650 3.980 2.442 0.658 + 1078TIP3 OH238651 3.583 1.804 0.477 + 1078TIP3 H138652 3.648 1.861 0.523 + 1078TIP3 H238653 3.641 1.766 0.407 + 1078TIP3 OH238654 3.715 2.573 0.768 + 1078TIP3 H138655 3.713 2.665 0.736 + 1078TIP3 H238656 3.628 2.569 0.812 + 1078TIP3 OH238657 3.345 2.544 -0.144 + 1078TIP3 H138658 3.329 2.594 -0.226 + 1078TIP3 H238659 3.364 2.615 -0.079 + 1078TIP3 OH238660 4.044 1.346 0.397 + 1078TIP3 H138661 4.017 1.252 0.394 + 1078TIP3 H238662 3.963 1.388 0.434 + 1078TIP3 OH238663 4.273 2.228 -0.139 + 1078TIP3 H138664 4.202 2.295 -0.148 + 1078TIP3 H238665 4.329 2.253 -0.213 + 1078TIP3 OH238666 4.289 2.075 -0.422 + 1078TIP3 H138667 4.366 2.069 -0.364 + 1078TIP3 H238668 4.296 1.996 -0.476 + 1078TIP3 OH238669 3.757 2.317 0.157 + 1078TIP3 H138670 3.730 2.274 0.074 + 1078TIP3 H238671 3.824 2.254 0.191 + 1078TIP3 OH238672 3.897 2.657 0.432 + 1078TIP3 H138673 3.888 2.618 0.343 + 1078TIP3 H238674 3.977 2.612 0.465 + 1078TIP3 OH238675 3.815 2.201 0.503 + 1078TIP3 H138676 3.876 2.199 0.427 + 1078TIP3 H238677 3.858 2.266 0.562 + 1079TIP3 OH238678 3.904 2.635 0.987 + 1079TIP3 H138679 3.851 2.701 1.036 + 1079TIP3 H238680 3.840 2.608 0.918 + 1079TIP3 OH238681 3.595 2.270 0.900 + 1079TIP3 H138682 3.600 2.329 0.978 + 1079TIP3 H238683 3.498 2.258 0.892 + 1079TIP3 OH238684 4.249 2.842 0.076 + 1079TIP3 H138685 4.299 2.893 0.142 + 1079TIP3 H238686 4.200 2.912 0.030 + 1079TIP3 OH238687 3.711 2.852 1.070 + 1079TIP3 H138688 3.700 2.855 0.974 + 1079TIP3 H238689 3.623 2.823 1.101 + 1079TIP3 OH238690 3.654 2.191 -0.101 + 1079TIP3 H138691 3.632 2.273 -0.150 + 1079TIP3 H238692 3.573 2.140 -0.111 + 1079TIP3 OH238693 3.257 2.461 0.781 + 1079TIP3 H138694 3.211 2.460 0.695 + 1079TIP3 H238695 3.269 2.365 0.798 + 1079TIP3 OH238696 3.261 2.754 0.474 + 1079TIP3 H138697 3.354 2.725 0.479 + 1079TIP3 H238698 3.257 2.814 0.550 + 1079TIP3 OH238699 4.173 2.735 0.938 + 1079TIP3 H138700 4.180 2.824 0.975 + 1079TIP3 H238701 4.082 2.709 0.959 + 1079TIP3 OH238702 4.186 3.118 -0.072 + 1079TIP3 H138703 4.203 3.122 -0.167 + 1079TIP3 H238704 4.207 3.207 -0.041 + 1079TIP3 OH238705 3.574 3.033 0.091 + 1079TIP3 H138706 3.588 2.988 0.176 + 1079TIP3 H238707 3.491 2.993 0.061 + 1080TIP3 OH238708 3.474 2.616 0.907 + 1080TIP3 H138709 3.502 2.568 0.987 + 1080TIP3 H238710 3.401 2.561 0.872 + 1080TIP3 OH238711 3.797 1.462 0.481 + 1080TIP3 H138712 3.715 1.454 0.430 + 1080TIP3 H238713 3.773 1.536 0.540 + 1080TIP3 OH238714 4.233 1.398 0.909 + 1080TIP3 H138715 4.245 1.325 0.971 + 1080TIP3 H238716 4.142 1.380 0.877 + 1080TIP3 OH238717 4.232 1.679 -0.415 + 1080TIP3 H138718 4.168 1.658 -0.346 + 1080TIP3 H238719 4.206 1.615 -0.484 + 1080TIP3 OH238720 3.779 1.942 0.623 + 1080TIP3 H138721 3.719 1.954 0.699 + 1080TIP3 H238722 3.787 2.034 0.587 + 1080TIP3 OH238723 3.774 1.950 0.112 + 1080TIP3 H138724 3.678 1.939 0.095 + 1080TIP3 H238725 3.810 1.931 0.023 + 1080TIP3 OH238726 4.277 2.002 0.061 + 1080TIP3 H138727 4.263 2.095 0.038 + 1080TIP3 H238728 4.370 2.000 0.085 + 1080TIP3 OH238729 4.252 2.032 1.145 + 1080TIP3 H138730 4.195 1.952 1.158 + 1080TIP3 H238731 4.338 1.987 1.143 + 1080TIP3 OH238732 3.517 1.959 0.807 + 1080TIP3 H138733 3.542 1.989 0.895 + 1080TIP3 H238734 3.481 1.870 0.826 + 1080TIP3 OH238735 3.865 1.724 -0.535 + 1080TIP3 H138736 3.822 1.681 -0.458 + 1080TIP3 H238737 3.790 1.738 -0.595 + 1081TIP3 OH238738 3.211 1.720 0.167 + 1081TIP3 H138739 3.262 1.700 0.248 + 1081TIP3 H238740 3.251 1.665 0.098 + 1081TIP3 OH238741 4.350 2.084 0.749 + 1081TIP3 H138742 4.378 2.019 0.682 + 1081TIP3 H238743 4.272 2.040 0.785 + 1081TIP3 OH238744 4.048 1.689 0.215 + 1081TIP3 H138745 3.955 1.696 0.240 + 1081TIP3 H238746 4.090 1.708 0.300 + 1081TIP3 OH238747 3.513 1.837 0.073 + 1081TIP3 H138748 3.420 1.849 0.045 + 1081TIP3 H238749 3.535 1.747 0.040 + 1081TIP3 OH238750 3.874 1.862 -0.152 + 1081TIP3 H138751 3.970 1.870 -0.141 + 1081TIP3 H238752 3.855 1.926 -0.222 + 1081TIP3 OH238753 3.682 1.970 -0.389 + 1081TIP3 H138754 3.669 1.963 -0.486 + 1081TIP3 H238755 3.774 2.002 -0.393 + 1081TIP3 OH238756 3.582 2.462 1.124 + 1081TIP3 H138757 3.650 2.470 1.194 + 1081TIP3 H238758 3.502 2.460 1.179 + 1081TIP3 OH238759 4.138 1.923 0.358 + 1081TIP3 H138760 4.217 1.892 0.312 + 1081TIP3 H238761 4.163 1.911 0.451 + 1081TIP3 OH238762 3.679 1.603 0.011 + 1081TIP3 H138763 3.626 1.523 0.030 + 1081TIP3 H238764 3.762 1.565 -0.019 + 1081TIP3 OH238765 4.049 1.797 0.626 + 1081TIP3 H138766 3.980 1.863 0.611 + 1081TIP3 H238767 4.100 1.837 0.699 + 1082TIP3 OH238768 4.075 2.428 -0.184 + 1082TIP3 H138769 3.994 2.388 -0.222 + 1082TIP3 H238770 4.049 2.443 -0.090 + 1082TIP3 OH238771 4.207 2.433 0.938 + 1082TIP3 H138772 4.183 2.423 1.031 + 1082TIP3 H238773 4.213 2.529 0.927 + 1082TIP3 OH238774 3.577 2.385 0.392 + 1082TIP3 H138775 3.636 2.376 0.315 + 1082TIP3 H238776 3.591 2.300 0.437 + 1082TIP3 OH238777 4.287 2.575 -0.289 + 1082TIP3 H138778 4.260 2.664 -0.260 + 1082TIP3 H238779 4.211 2.522 -0.256 + 1082TIP3 OH238780 3.305 2.214 0.919 + 1082TIP3 H138781 3.320 2.169 1.005 + 1082TIP3 H238782 3.243 2.154 0.874 + 1082TIP3 OH238783 4.002 2.164 1.122 + 1082TIP3 H138784 3.966 2.134 1.036 + 1082TIP3 H238785 4.096 2.139 1.112 + 1082TIP3 OH238786 3.815 2.715 0.119 + 1082TIP3 H138787 3.858 2.801 0.107 + 1082TIP3 H238788 3.724 2.735 0.095 + 1082TIP3 OH238789 3.414 2.152 -0.395 + 1082TIP3 H138790 3.476 2.228 -0.392 + 1082TIP3 H238791 3.328 2.199 -0.394 + 1082TIP3 OH238792 3.994 2.482 0.078 + 1082TIP3 H138793 3.970 2.575 0.095 + 1082TIP3 H238794 3.923 2.436 0.123 + 1082TIP3 OH238795 4.020 2.914 0.720 + 1082TIP3 H138796 4.077 2.985 0.686 + 1082TIP3 H238797 4.084 2.861 0.770 + 1083TIP3 OH238798 3.860 3.004 0.042 + 1083TIP3 H138799 3.764 3.022 0.049 + 1083TIP3 H238800 3.897 3.092 0.064 + 1083TIP3 OH238801 3.435 1.679 0.882 + 1083TIP3 H138802 3.345 1.705 0.855 + 1083TIP3 H238803 3.420 1.591 0.921 + 1083TIP3 OH238804 3.412 2.854 0.721 + 1083TIP3 H138805 3.441 2.763 0.737 + 1083TIP3 H238806 3.435 2.895 0.805 + 1083TIP3 OH238807 3.995 2.724 -0.577 + 1083TIP3 H138808 4.029 2.647 -0.627 + 1083TIP3 H238809 3.956 2.680 -0.499 + 1083TIP3 OH238810 3.888 2.667 -0.301 + 1083TIP3 H138811 3.935 2.620 -0.232 + 1083TIP3 H238812 3.898 2.760 -0.274 + 1083TIP3 OH238813 3.565 2.409 -0.266 + 1083TIP3 H138814 3.490 2.450 -0.220 + 1083TIP3 H238815 3.611 2.488 -0.301 + 1083TIP3 OH238816 4.337 1.706 0.791 + 1083TIP3 H138817 4.387 1.628 0.813 + 1083TIP3 H238818 4.275 1.671 0.725 + 1083TIP3 OH238819 4.168 2.832 -0.251 + 1083TIP3 H138820 4.089 2.883 -0.228 + 1083TIP3 H238821 4.211 2.891 -0.315 + 1083TIP3 OH238822 4.138 1.797 -0.043 + 1083TIP3 H138823 4.200 1.867 -0.015 + 1083TIP3 H238824 4.102 1.774 0.045 + 1083TIP3 OH238825 4.163 1.892 0.876 + 1083TIP3 H138826 4.185 1.945 0.954 + 1083TIP3 H238827 4.234 1.826 0.873 + 1084TIP3 OH238828 4.194 1.503 0.075 + 1084TIP3 H138829 4.165 1.581 0.127 + 1084TIP3 H238830 4.271 1.538 0.026 + 1084TIP3 OH238831 3.894 2.939 -0.244 + 1084TIP3 H138832 3.891 3.020 -0.300 + 1084TIP3 H238833 3.882 2.976 -0.155 + 1084TIP3 OH238834 3.768 1.611 -0.298 + 1084TIP3 H138835 3.781 1.686 -0.237 + 1084TIP3 H238836 3.845 1.555 -0.277 + 1084TIP3 OH238837 3.610 2.694 -0.388 + 1084TIP3 H138838 3.682 2.747 -0.350 + 1084TIP3 H238839 3.660 2.647 -0.457 + 1084TIP3 OH238840 3.514 1.418 0.400 + 1084TIP3 H138841 3.497 1.413 0.304 + 1084TIP3 H238842 3.483 1.331 0.431 + 1084TIP3 OH238843 3.405 2.767 0.029 + 1084TIP3 H138844 3.327 2.820 0.052 + 1084TIP3 H238845 3.443 2.819 -0.043 + 1084TIP3 OH238846 3.346 3.059 1.142 + 1084TIP3 H138847 3.403 3.030 1.216 + 1084TIP3 H238848 3.307 2.974 1.114 + 1084TIP3 OH238849 3.815 2.965 1.321 + 1084TIP3 H138850 3.882 2.898 1.342 + 1084TIP3 H238851 3.790 2.939 1.231 + 1084TIP3 OH238852 4.231 2.888 -0.547 + 1084TIP3 H138853 4.147 2.838 -0.545 + 1084TIP3 H238854 4.293 2.814 -0.560 + 1084TIP3 OH238855 3.341 2.422 1.255 + 1084TIP3 H138856 3.350 2.331 1.221 + 1084TIP3 H238857 3.264 2.452 1.204 + 1085TIP3 OH238858 3.762 2.466 -0.543 + 1085TIP3 H138859 3.781 2.405 -0.469 + 1085TIP3 H238860 3.846 2.462 -0.591 + 1085TIP3 OH238861 4.008 2.443 1.187 + 1085TIP3 H138862 3.978 2.475 1.100 + 1085TIP3 H238863 4.015 2.346 1.173 + 1085TIP3 OH238864 4.262 2.596 -0.589 + 1085TIP3 H138865 4.277 2.607 -0.493 + 1085TIP3 H238866 4.243 2.501 -0.595 + 1085TIP3 OH238867 3.428 2.136 1.172 + 1085TIP3 H138868 3.500 2.071 1.173 + 1085TIP3 H238869 3.422 2.157 1.266 + 1085TIP3 OH238870 3.868 2.272 -0.314 + 1085TIP3 H138871 3.812 2.221 -0.253 + 1085TIP3 H238872 3.905 2.203 -0.373 + 1085TIP3 OH238873 3.796 2.052 0.919 + 1085TIP3 H138874 3.739 2.130 0.934 + 1085TIP3 H238875 3.852 2.084 0.846 + 1085TIP3 OH238876 3.977 2.074 -0.477 + 1085TIP3 H138877 3.967 2.076 -0.574 + 1085TIP3 H238878 4.074 2.083 -0.469 + 1085TIP3 OH238879 4.284 2.299 1.287 + 1085TIP3 H138880 4.354 2.267 1.229 + 1085TIP3 H238881 4.267 2.217 1.338 + 1085TIP3 OH238882 3.856 1.780 1.032 + 1085TIP3 H138883 3.862 1.714 0.960 + 1085TIP3 H238884 3.839 1.861 0.981 + 1085TIP3 OH238885 3.886 1.624 0.774 + 1085TIP3 H138886 3.937 1.681 0.712 + 1085TIP3 H238887 3.795 1.628 0.738 + 1086TIP3 OH238888 4.066 2.163 0.805 + 1086TIP3 H138889 4.135 2.163 0.738 + 1086TIP3 H238890 4.029 2.252 0.793 + 1086TIP3 OH238891 3.676 1.960 1.212 + 1086TIP3 H138892 3.621 1.880 1.208 + 1086TIP3 H238893 3.754 1.932 1.162 + 1086TIP3 OH238894 3.970 1.362 0.812 + 1086TIP3 H138895 3.947 1.456 0.793 + 1086TIP3 H238896 3.906 1.315 0.755 + 1086TIP3 OH238897 4.102 1.807 1.185 + 1086TIP3 H138898 4.064 1.782 1.270 + 1086TIP3 H238899 4.029 1.785 1.125 + 1086TIP3 OH238900 3.541 1.708 1.192 + 1086TIP3 H138901 3.531 1.638 1.125 + 1086TIP3 H238902 3.516 1.661 1.274 + 1086TIP3 OH238903 3.945 1.307 1.093 + 1086TIP3 H138904 4.006 1.233 1.095 + 1086TIP3 H238905 3.940 1.324 0.997 + 1086TIP3 OH238906 4.034 1.487 1.289 + 1086TIP3 H138907 4.009 1.433 1.211 + 1086TIP3 H238908 3.973 1.562 1.283 + 1086TIP3 OH238909 3.957 3.191 -0.373 + 1086TIP3 H138910 4.053 3.205 -0.368 + 1086TIP3 H238911 3.935 3.244 -0.451 + 1086TIP3 OH238912 3.334 2.636 -0.418 + 1086TIP3 H138913 3.430 2.657 -0.408 + 1086TIP3 H238914 3.336 2.559 -0.479 + 1086TIP3 OH238915 3.232 3.156 0.053 + 1086TIP3 H138916 3.161 3.118 -0.002 + 1086TIP3 H238917 3.243 3.087 0.121 + 1087TIP3 OH238918 3.272 2.958 0.251 + 1087TIP3 H138919 3.243 2.871 0.283 + 1087TIP3 H238920 3.307 2.994 0.334 + 1087TIP3 OH238921 3.280 2.292 0.491 + 1087TIP3 H138922 3.306 2.299 0.398 + 1087TIP3 H238923 3.367 2.271 0.532 + 1087TIP3 OH238924 3.273 1.829 1.134 + 1087TIP3 H138925 3.366 1.800 1.134 + 1087TIP3 H238926 3.227 1.743 1.138 + 1087TIP3 OH238927 3.349 1.660 0.409 + 1087TIP3 H138928 3.394 1.574 0.421 + 1087TIP3 H238929 3.414 1.721 0.448 + 1087TIP3 OH238930 3.205 1.928 0.518 + 1087TIP3 H138931 3.260 1.926 0.438 + 1087TIP3 H238932 3.240 2.007 0.563 + 1087TIP3 OH238933 3.245 1.592 -0.090 + 1087TIP3 H138934 3.151 1.570 -0.096 + 1087TIP3 H238935 3.261 1.627 -0.179 + 1087TIP3 OH238936 3.257 1.452 0.738 + 1087TIP3 H138937 3.185 1.424 0.797 + 1087TIP3 H238938 3.207 1.503 0.672 + 1087TIP3 OH238939 3.456 2.761 1.205 + 1087TIP3 H138940 3.384 2.757 1.140 + 1087TIP3 H238941 3.408 2.756 1.289 + 1087TIP3 OH238942 3.740 2.860 0.772 + 1087TIP3 H138943 3.710 2.945 0.736 + 1087TIP3 H238944 3.836 2.868 0.755 + 1087TIP3 OH238945 4.219 3.022 1.061 + 1087TIP3 H138946 4.205 2.985 1.150 + 1087TIP3 H238947 4.314 3.044 1.067 + 1088TIP3 OH238948 3.477 3.154 0.805 + 1088TIP3 H138949 3.418 3.217 0.760 + 1088TIP3 H238950 3.442 3.158 0.895 + 1088TIP3 OH238951 3.729 3.132 0.662 + 1088TIP3 H138952 3.644 3.152 0.706 + 1088TIP3 H238953 3.733 3.201 0.593 + 1088TIP3 OH238954 4.196 3.109 0.618 + 1088TIP3 H138955 4.179 3.156 0.535 + 1088TIP3 H238956 4.258 3.168 0.662 + 1088TIP3 OH238957 3.434 3.033 0.499 + 1088TIP3 H138958 3.434 2.984 0.585 + 1088TIP3 H238959 3.511 2.990 0.455 + 1088TIP3 OH238960 3.636 2.910 0.344 + 1088TIP3 H138961 3.622 2.816 0.370 + 1088TIP3 H238962 3.728 2.925 0.374 + 1088TIP3 OH238963 3.912 2.957 0.432 + 1088TIP3 H138964 3.934 2.866 0.409 + 1088TIP3 H238965 3.921 2.955 0.529 + 1088TIP3 OH238966 4.265 1.513 0.364 + 1088TIP3 H138967 4.182 1.465 0.378 + 1088TIP3 H238968 4.297 1.472 0.283 + 1088TIP3 OH238969 3.481 1.412 0.113 + 1088TIP3 H138970 3.394 1.394 0.073 + 1088TIP3 H238971 3.523 1.324 0.104 + 1088TIP3 OH238972 3.358 1.360 -0.290 + 1088TIP3 H138973 3.407 1.424 -0.345 + 1088TIP3 H238974 3.311 1.417 -0.228 + 1088TIP3 OH238975 3.929 1.404 0.107 + 1088TIP3 H138976 4.023 1.427 0.096 + 1088TIP3 H238977 3.927 1.387 0.202 + 1089TIP3 OH238978 3.379 2.961 -0.175 + 1089TIP3 H138979 3.318 2.948 -0.250 + 1089TIP3 H238980 3.380 3.057 -0.171 + 1089TIP3 OH238981 3.529 1.559 -0.433 + 1089TIP3 H138982 3.573 1.499 -0.496 + 1089TIP3 H238983 3.605 1.578 -0.374 + 1089TIP3 OH238984 4.067 1.568 -0.194 + 1089TIP3 H138985 4.067 1.503 -0.122 + 1089TIP3 H238986 4.062 1.652 -0.145 + 1089TIP3 OH238987 4.266 3.121 -0.366 + 1089TIP3 H138988 4.352 3.161 -0.387 + 1089TIP3 H238989 4.247 3.068 -0.445 + 1089TIP3 OH238990 3.460 1.440 1.073 + 1089TIP3 H138991 3.420 1.358 1.106 + 1089TIP3 H238992 3.553 1.426 1.096 + 1089TIP3 OH238993 3.701 1.378 1.247 + 1089TIP3 H138994 3.783 1.344 1.206 + 1089TIP3 H238995 3.663 1.297 1.285 + 1089TIP3 OH238996 3.520 3.051 -0.498 + 1089TIP3 H138997 3.501 3.087 -0.410 + 1089TIP3 H238998 3.601 2.999 -0.484 + 1089TIP3 OH238999 -3.158 4.203 0.124 + 1089TIP3 H139000 -3.188 4.295 0.128 + 1089TIP3 H239001 -3.233 4.161 0.080 + 1089TIP3 OH239002 -3.278 4.132 0.453 + 1089TIP3 H139003 -3.275 4.080 0.535 + 1089TIP3 H239004 -3.304 4.067 0.387 + 1089TIP3 OH239005 -4.021 4.074 0.610 + 1089TIP3 H139006 -4.033 4.006 0.678 + 1089TIP3 H239007 -3.966 4.138 0.658 + 1090TIP3 OH239008 -4.177 3.970 -0.076 + 1090TIP3 H139009 -4.226 4.033 -0.019 + 1090TIP3 H239010 -4.219 3.888 -0.049 + 1090TIP3 OH239011 -4.198 4.127 0.174 + 1090TIP3 H139012 -4.197 4.055 0.239 + 1090TIP3 H239013 -4.103 4.139 0.161 + 1090TIP3 OH239014 -2.553 3.522 0.569 + 1090TIP3 H139015 -2.536 3.582 0.643 + 1090TIP3 H239016 -2.495 3.559 0.501 + 1090TIP3 OH239017 -3.095 3.803 0.560 + 1090TIP3 H139018 -3.082 3.707 0.563 + 1090TIP3 H239019 -3.105 3.818 0.465 + 1090TIP3 OH239020 -3.798 3.605 0.266 + 1090TIP3 H139021 -3.786 3.691 0.221 + 1090TIP3 H239022 -3.834 3.552 0.192 + 1090TIP3 OH239023 -3.014 3.622 0.098 + 1090TIP3 H139024 -2.955 3.580 0.164 + 1090TIP3 H239025 -2.949 3.668 0.043 + 1090TIP3 OH239026 -4.142 3.880 0.319 + 1090TIP3 H139027 -4.081 3.841 0.383 + 1090TIP3 H239028 -4.123 3.827 0.240 + 1090TIP3 OH239029 -3.589 4.018 0.264 + 1090TIP3 H139030 -3.522 3.959 0.305 + 1090TIP3 H239031 -3.645 3.953 0.217 + 1090TIP3 OH239032 -2.489 3.657 0.819 + 1090TIP3 H139033 -2.545 3.732 0.790 + 1090TIP3 H239034 -2.501 3.662 0.915 + 1090TIP3 OH239035 -3.919 3.487 0.684 + 1090TIP3 H139036 -3.963 3.532 0.610 + 1090TIP3 H239037 -3.982 3.505 0.756 + 1091TIP3 OH239038 -3.647 4.267 0.663 + 1091TIP3 H139039 -3.727 4.321 0.665 + 1091TIP3 H239040 -3.581 4.336 0.651 + 1091TIP3 OH239041 -2.829 3.545 0.302 + 1091TIP3 H139042 -2.872 3.488 0.367 + 1091TIP3 H239043 -2.780 3.607 0.359 + 1091TIP3 OH239044 -3.957 3.690 0.475 + 1091TIP3 H139045 -3.894 3.750 0.520 + 1091TIP3 H239046 -3.899 3.654 0.404 + 1091TIP3 OH239047 -2.816 3.461 0.685 + 1091TIP3 H139048 -2.894 3.501 0.642 + 1091TIP3 H239049 -2.745 3.480 0.621 + 1091TIP3 OH239050 -3.505 3.233 0.392 + 1091TIP3 H139051 -3.529 3.139 0.386 + 1091TIP3 H239052 -3.588 3.272 0.428 + 1091TIP3 OH239053 -3.308 4.143 -0.134 + 1091TIP3 H139054 -3.373 4.178 -0.197 + 1091TIP3 H239055 -3.231 4.134 -0.193 + 1091TIP3 OH239056 -3.266 3.941 -0.415 + 1091TIP3 H139057 -3.194 3.979 -0.363 + 1091TIP3 H239058 -3.217 3.892 -0.483 + 1091TIP3 OH239059 -2.551 4.056 0.695 + 1091TIP3 H139060 -2.620 4.125 0.706 + 1091TIP3 H239061 -2.501 4.094 0.619 + 1091TIP3 OH239062 -2.935 4.140 -0.034 + 1091TIP3 H139063 -3.001 4.163 0.035 + 1091TIP3 H239064 -2.870 4.089 0.018 + 1091TIP3 OH239065 -2.964 3.979 0.859 + 1091TIP3 H139066 -2.958 4.055 0.919 + 1091TIP3 H239067 -3.017 4.020 0.788 + 1092TIP3 OH239068 -3.770 4.217 0.156 + 1092TIP3 H139069 -3.800 4.183 0.070 + 1092TIP3 H239070 -3.702 4.152 0.181 + 1092TIP3 OH239071 -3.730 4.074 0.497 + 1092TIP3 H139072 -3.669 4.077 0.420 + 1092TIP3 H239073 -3.695 4.145 0.555 + 1092TIP3 OH239074 -3.055 4.074 -0.269 + 1092TIP3 H139075 -2.998 4.101 -0.194 + 1092TIP3 H239076 -3.009 4.119 -0.345 + 1092TIP3 OH239077 -3.958 4.142 0.898 + 1092TIP3 H139078 -3.949 4.201 0.977 + 1092TIP3 H239079 -4.046 4.170 0.868 + 1092TIP3 OH239080 -2.705 3.246 -0.327 + 1092TIP3 H139081 -2.792 3.256 -0.285 + 1092TIP3 H239082 -2.670 3.336 -0.322 + 1092TIP3 OH239083 -3.894 4.084 -0.092 + 1092TIP3 H139084 -3.914 4.163 -0.147 + 1092TIP3 H239085 -3.972 4.029 -0.109 + 1092TIP3 OH239086 -4.201 4.276 0.779 + 1092TIP3 H139087 -4.252 4.313 0.706 + 1092TIP3 H239088 -4.268 4.244 0.841 + 1092TIP3 OH239089 -2.771 3.834 1.096 + 1092TIP3 H139090 -2.813 3.878 1.020 + 1092TIP3 H239091 -2.761 3.743 1.063 + 1092TIP3 OH239092 -3.748 3.348 0.482 + 1092TIP3 H139093 -3.831 3.339 0.431 + 1092TIP3 H239094 -3.771 3.422 0.540 + 1092TIP3 OH239095 -3.311 3.306 0.848 + 1092TIP3 H139096 -3.259 3.252 0.911 + 1092TIP3 H239097 -3.401 3.272 0.859 + 1093TIP3 OH239098 -2.994 3.685 0.898 + 1093TIP3 H139099 -3.055 3.671 0.972 + 1093TIP3 H239100 -3.000 3.781 0.881 + 1093TIP3 OH239101 -2.915 4.175 -0.475 + 1093TIP3 H139102 -2.921 4.159 -0.571 + 1093TIP3 H239103 -2.827 4.215 -0.468 + 1093TIP3 OH239104 -3.329 3.556 -0.426 + 1093TIP3 H139105 -3.380 3.545 -0.345 + 1093TIP3 H239106 -3.371 3.490 -0.483 + 1093TIP3 OH239107 -3.759 3.827 0.626 + 1093TIP3 H139108 -3.825 3.839 0.697 + 1093TIP3 H239109 -3.755 3.917 0.587 + 1093TIP3 OH239110 -3.769 3.833 0.111 + 1093TIP3 H139111 -3.865 3.831 0.093 + 1093TIP3 H239112 -3.735 3.818 0.021 + 1093TIP3 OH239113 -3.207 3.898 -0.009 + 1093TIP3 H139114 -3.253 3.975 -0.048 + 1093TIP3 H239115 -3.140 3.879 -0.077 + 1093TIP3 OH239116 -3.284 3.918 1.134 + 1093TIP3 H139117 -3.337 3.842 1.165 + 1093TIP3 H239118 -3.197 3.901 1.172 + 1093TIP3 OH239119 -3.123 3.830 0.266 + 1093TIP3 H139120 -3.151 3.886 0.190 + 1093TIP3 H239121 -3.099 3.749 0.218 + 1093TIP3 OH239122 -4.023 3.842 0.806 + 1093TIP3 H139123 -3.999 3.885 0.889 + 1093TIP3 H239124 -4.052 3.754 0.836 + 1093TIP3 OH239125 -3.686 3.600 -0.534 + 1093TIP3 H139126 -3.725 3.564 -0.452 + 1093TIP3 H239127 -3.764 3.619 -0.588 + 1094TIP3 OH239128 -4.318 3.602 0.174 + 1094TIP3 H139129 -4.305 3.575 0.267 + 1094TIP3 H239130 -4.282 3.528 0.125 + 1094TIP3 OH239131 -4.213 3.660 -0.239 + 1094TIP3 H139132 -4.152 3.677 -0.312 + 1094TIP3 H239133 -4.298 3.685 -0.280 + 1094TIP3 OH239134 -3.226 3.996 0.708 + 1094TIP3 H139135 -3.170 3.931 0.661 + 1094TIP3 H239136 -3.250 3.947 0.788 + 1094TIP3 OH239137 -3.490 3.593 0.215 + 1094TIP3 H139138 -3.585 3.591 0.237 + 1094TIP3 H239139 -3.450 3.576 0.302 + 1094TIP3 OH239140 -4.038 3.718 0.079 + 1094TIP3 H139141 -4.120 3.726 0.030 + 1094TIP3 H239142 -4.001 3.635 0.042 + 1094TIP3 OH239143 -3.671 3.747 -0.152 + 1094TIP3 H139144 -3.574 3.760 -0.147 + 1094TIP3 H239145 -3.698 3.810 -0.222 + 1094TIP3 OH239146 -3.051 3.507 0.516 + 1094TIP3 H139147 -3.115 3.508 0.590 + 1094TIP3 H239148 -3.109 3.473 0.445 + 1094TIP3 OH239149 -3.825 3.875 -0.374 + 1094TIP3 H139150 -3.883 3.845 -0.445 + 1094TIP3 H239151 -3.743 3.896 -0.422 + 1094TIP3 OH239152 -3.956 4.305 1.113 + 1094TIP3 H139153 -3.889 4.356 1.163 + 1094TIP3 H239154 -4.035 4.322 1.168 + 1094TIP3 OH239155 -3.391 3.848 0.396 + 1094TIP3 H139156 -3.314 3.808 0.352 + 1094TIP3 H239157 -3.404 3.789 0.472 + 1095TIP3 OH239158 -3.873 3.484 0.022 + 1095TIP3 H139159 -3.917 3.398 0.025 + 1095TIP3 H239160 -3.792 3.463 -0.028 + 1095TIP3 OH239161 -3.492 3.694 0.621 + 1095TIP3 H139162 -3.570 3.753 0.621 + 1095TIP3 H239163 -3.443 3.721 0.701 + 1095TIP3 OH239164 -3.524 4.366 -0.162 + 1095TIP3 H139165 -3.560 4.300 -0.225 + 1095TIP3 H239166 -3.467 4.315 -0.104 + 1095TIP3 OH239167 -2.727 4.265 0.676 + 1095TIP3 H139168 -2.706 4.313 0.594 + 1095TIP3 H239169 -2.823 4.255 0.663 + 1095TIP3 OH239170 -3.061 3.616 -0.413 + 1095TIP3 H139171 -3.160 3.614 -0.417 + 1095TIP3 H239172 -3.043 3.689 -0.350 + 1095TIP3 OH239173 -2.994 3.798 -0.204 + 1095TIP3 H139174 -2.905 3.782 -0.167 + 1095TIP3 H239175 -2.984 3.885 -0.246 + 1095TIP3 OH239176 -3.971 4.217 0.345 + 1095TIP3 H139177 -3.885 4.233 0.302 + 1095TIP3 H239178 -3.947 4.165 0.423 + 1095TIP3 OH239179 -4.289 4.107 0.971 + 1095TIP3 H139180 -4.234 4.048 1.026 + 1095TIP3 H239181 -4.299 4.056 0.888 + 1095TIP3 OH239182 -3.542 4.046 1.122 + 1095TIP3 H139183 -3.577 4.028 1.033 + 1095TIP3 H239184 -3.447 4.030 1.108 + 1095TIP3 OH239185 -2.535 3.798 -0.232 + 1095TIP3 H139186 -2.590 3.779 -0.311 + 1095TIP3 H239187 -2.523 3.894 -0.247 + 1096TIP3 OH239188 -2.989 4.179 0.547 + 1096TIP3 H139189 -3.080 4.183 0.512 + 1096TIP3 H239190 -2.941 4.136 0.475 + 1096TIP3 OH239191 -4.174 4.096 -0.412 + 1096TIP3 H139192 -4.095 4.134 -0.372 + 1096TIP3 H239193 -4.238 4.167 -0.393 + 1096TIP3 OH239194 -4.102 3.575 0.889 + 1096TIP3 H139195 -4.187 3.609 0.854 + 1096TIP3 H239196 -4.125 3.486 0.923 + 1096TIP3 OH239197 -3.958 -4.392 -0.247 + 1096TIP3 H139198 -4.051 -4.360 -0.242 + 1096TIP3 H239199 -3.912 -4.309 -0.269 + 1096TIP3 OH239200 -3.210 3.549 0.736 + 1096TIP3 H139201 -3.148 3.576 0.805 + 1096TIP3 H239202 -3.259 3.476 0.778 + 1096TIP3 OH239203 -3.145 3.492 -0.138 + 1096TIP3 H139204 -3.130 3.545 -0.218 + 1096TIP3 H239205 -3.101 3.544 -0.069 + 1096TIP3 OH239206 -3.403 3.691 -0.043 + 1096TIP3 H139207 -3.328 3.752 -0.028 + 1096TIP3 H239208 -3.434 3.676 0.048 + 1096TIP3 OH239209 -3.369 3.789 0.875 + 1096TIP3 H139210 -3.359 3.841 0.956 + 1096TIP3 H239211 -3.315 3.711 0.895 + 1096TIP3 OH239212 -3.346 3.393 0.052 + 1096TIP3 H139213 -3.367 3.464 0.116 + 1096TIP3 H239214 -3.273 3.435 0.000 + 1096TIP3 OH239215 -3.774 3.494 -0.290 + 1096TIP3 H139216 -3.765 3.576 -0.238 + 1096TIP3 H239217 -3.692 3.447 -0.267 + 1097TIP3 OH239218 -2.742 3.584 0.963 + 1097TIP3 H139219 -2.837 3.599 0.943 + 1097TIP3 H239220 -2.712 3.564 0.873 + 1097TIP3 OH239221 -2.886 3.965 0.355 + 1097TIP3 H139222 -2.972 3.923 0.337 + 1097TIP3 H239223 -2.841 3.898 0.410 + 1097TIP3 OH239224 -4.114 3.799 -0.480 + 1097TIP3 H139225 -4.112 3.891 -0.449 + 1097TIP3 H239226 -4.203 3.789 -0.516 + 1097TIP3 OH239227 -4.025 3.294 0.397 + 1097TIP3 H139228 -4.058 3.293 0.305 + 1097TIP3 H239229 -4.069 3.216 0.435 + 1097TIP3 OH239230 -4.198 4.346 1.223 + 1097TIP3 H139231 -4.195 4.249 1.222 + 1097TIP3 H239232 -4.293 4.362 1.239 + 1097TIP3 OH239233 -3.588 4.328 1.159 + 1097TIP3 H139234 -3.585 4.347 1.063 + 1097TIP3 H239235 -3.550 4.238 1.163 + 1097TIP3 OH239236 -2.984 -4.377 0.933 + 1097TIP3 H139237 -2.903 -4.332 0.904 + 1097TIP3 H239238 -3.051 -4.310 0.915 + 1097TIP3 OH239239 -4.132 4.017 1.187 + 1097TIP3 H139240 -4.050 3.966 1.176 + 1097TIP3 H239241 -4.128 4.040 1.281 + 1097TIP3 OH239242 -3.659 4.160 -0.312 + 1097TIP3 H139243 -3.729 4.122 -0.257 + 1097TIP3 H239244 -3.647 4.092 -0.380 + 1097TIP3 OH239245 -3.747 3.934 0.922 + 1097TIP3 H139246 -3.807 4.010 0.934 + 1097TIP3 H239247 -3.686 3.968 0.854 + 1098TIP3 OH239248 -3.579 3.956 -0.488 + 1098TIP3 H139249 -3.581 3.972 -0.585 + 1098TIP3 H239250 -3.483 3.957 -0.471 + 1098TIP3 OH239251 -3.221 4.215 1.271 + 1098TIP3 H139252 -3.132 4.199 1.238 + 1098TIP3 H239253 -3.250 4.128 1.299 + 1098TIP3 OH239254 -2.648 4.189 -0.566 + 1098TIP3 H139255 -2.659 4.185 -0.662 + 1098TIP3 H239256 -2.645 4.285 -0.547 + 1098TIP3 OH239257 -3.690 3.663 1.030 + 1098TIP3 H139258 -3.684 3.598 0.958 + 1098TIP3 H239259 -3.711 3.744 0.981 + 1098TIP3 OH239260 -3.657 3.510 0.775 + 1098TIP3 H139261 -3.605 3.563 0.711 + 1098TIP3 H239262 -3.747 3.514 0.738 + 1098TIP3 OH239263 -3.505 4.067 0.807 + 1098TIP3 H139264 -3.421 4.056 0.758 + 1098TIP3 H239265 -3.542 4.147 0.765 + 1098TIP3 OH239266 -3.038 3.827 1.308 + 1098TIP3 H139267 -3.005 3.741 1.282 + 1098TIP3 H239268 -2.958 3.881 1.301 + 1098TIP3 OH239269 -2.951 4.131 1.125 + 1098TIP3 H139270 -2.971 4.206 1.064 + 1098TIP3 H239271 -2.856 4.120 1.107 + 1098TIP3 OH239272 -3.878 3.852 1.212 + 1098TIP3 H139273 -3.930 3.769 1.206 + 1098TIP3 H239274 -3.799 3.829 1.161 + 1098TIP3 OH239275 -3.586 3.243 0.811 + 1098TIP3 H139276 -3.603 3.338 0.793 + 1098TIP3 H239277 -3.655 3.201 0.756 + 1099TIP3 OH239278 -3.457 3.697 1.188 + 1099TIP3 H139279 -3.498 3.685 1.275 + 1099TIP3 H239280 -3.535 3.682 1.130 + 1099TIP3 OH239281 -3.204 3.605 1.076 + 1099TIP3 H139282 -3.293 3.612 1.114 + 1099TIP3 H239283 -3.159 3.546 1.139 + 1099TIP3 OH239284 -3.027 3.469 1.272 + 1099TIP3 H139285 -3.035 3.371 1.270 + 1099TIP3 H239286 -3.046 3.490 1.365 + 1099TIP3 OH239287 -4.010 3.598 1.192 + 1099TIP3 H139288 -4.017 3.527 1.126 + 1099TIP3 H239289 -4.033 3.551 1.275 + 1099TIP3 OH239290 -3.599 3.192 1.091 + 1099TIP3 H139291 -3.541 3.115 1.093 + 1099TIP3 H239292 -3.605 3.207 0.994 + 1099TIP3 OH239293 -3.510 3.376 1.281 + 1099TIP3 H139294 -3.534 3.318 1.206 + 1099TIP3 H239295 -3.576 3.447 1.275 + 1099TIP3 OH239296 -2.569 4.361 -0.123 + 1099TIP3 H139297 -2.474 4.364 -0.142 + 1099TIP3 H239298 -2.583 4.275 -0.081 + 1099TIP3 OH239299 -2.526 4.127 0.041 + 1099TIP3 H139300 -2.609 4.088 0.076 + 1099TIP3 H239301 -2.482 4.157 0.122 + 1099TIP3 OH239302 -2.514 4.093 -0.308 + 1099TIP3 H139303 -2.576 4.115 -0.380 + 1099TIP3 H239304 -2.526 4.169 -0.250 + 1099TIP3 OH239305 -2.685 3.842 -0.475 + 1099TIP3 H139306 -2.666 3.907 -0.545 + 1099TIP3 H239307 -2.709 3.763 -0.526 + 1100TIP3 OH239308 -2.756 3.966 0.113 + 1100TIP3 H139309 -2.759 3.870 0.099 + 1100TIP3 H239310 -2.793 3.974 0.204 + 1100TIP3 OH239311 -4.249 4.209 0.499 + 1100TIP3 H139312 -4.229 4.185 0.407 + 1100TIP3 H239313 -4.177 4.166 0.549 + 1100TIP3 OH239314 -2.655 4.151 1.005 + 1100TIP3 H139315 -2.600 4.103 1.069 + 1100TIP3 H239316 -2.635 4.245 1.023 + 1100TIP3 OH239317 -2.537 3.969 1.165 + 1100TIP3 H139318 -2.607 3.909 1.133 + 1100TIP3 H239319 -2.460 3.910 1.169 + 1100TIP3 OH239320 -2.740 3.578 -0.557 + 1100TIP3 H139321 -2.683 3.529 -0.495 + 1100TIP3 H239322 -2.821 3.525 -0.561 + 1100TIP3 OH239323 -2.757 3.706 -0.059 + 1100TIP3 H139324 -2.734 3.611 -0.056 + 1100TIP3 H239325 -2.678 3.743 -0.101 + 1100TIP3 OH239326 -2.737 3.764 0.483 + 1100TIP3 H139327 -2.640 3.779 0.482 + 1100TIP3 H239328 -2.753 3.772 0.579 + 1100TIP3 OH239329 -2.720 3.838 0.765 + 1100TIP3 H139330 -2.806 3.877 0.789 + 1100TIP3 H239331 -2.667 3.918 0.745 + 1100TIP3 OH239332 -4.287 3.709 1.126 + 1100TIP3 H139333 -4.200 3.666 1.120 + 1100TIP3 H239334 -4.347 3.635 1.143 + 1100TIP3 OH239335 -2.467 3.249 1.293 + 1100TIP3 H139336 -2.422 3.181 1.238 + 1100TIP3 H239337 -2.462 3.327 1.236 + 1101TIP3 OH239338 -2.712 3.427 -0.064 + 1101TIP3 H139339 -2.702 3.394 0.027 + 1101TIP3 H239340 -2.792 3.378 -0.093 + 1101TIP3 OH239341 -4.196 3.554 0.449 + 1101TIP3 H139342 -4.158 3.465 0.439 + 1101TIP3 H239343 -4.116 3.609 0.460 + 1101TIP3 OH239344 -4.328 3.817 0.530 + 1101TIP3 H139345 -4.295 3.767 0.454 + 1101TIP3 H239346 -4.311 3.908 0.501 + 1101TIP3 OH239347 -2.527 3.455 1.120 + 1101TIP3 H139348 -2.613 3.500 1.122 + 1101TIP3 H239349 -2.538 3.402 1.039 + 1101TIP3 OH239350 -2.516 3.475 -0.396 + 1101TIP3 H139351 -2.484 3.395 -0.442 + 1101TIP3 H239352 -2.436 3.528 -0.389 + 1101TIP3 OH239353 -4.316 3.431 -0.122 + 1101TIP3 H139354 -4.400 3.457 -0.164 + 1101TIP3 H239355 -4.258 3.503 -0.155 + 1101TIP3 OH239356 -4.291 3.328 0.715 + 1101TIP3 H139357 -4.360 3.319 0.785 + 1101TIP3 H239358 -4.335 3.374 0.642 + 1101TIP3 OH239359 -2.641 3.279 0.917 + 1101TIP3 H139360 -2.720 3.301 0.863 + 1101TIP3 H239361 -2.618 3.190 0.883 + 1101TIP3 OH239362 -3.296 3.429 0.365 + 1101TIP3 H139363 -3.366 3.362 0.377 + 1101TIP3 H239364 -3.238 3.384 0.301 + 1101TIP3 OH239365 -2.802 3.232 0.409 + 1101TIP3 H139366 -2.726 3.276 0.368 + 1101TIP3 H239367 -2.876 3.261 0.354 + 1102TIP3 OH239368 -2.594 3.342 0.195 + 1102TIP3 H139369 -2.522 3.301 0.144 + 1102TIP3 H239370 -2.562 3.434 0.204 + 1102TIP3 OH239371 -4.106 3.287 0.117 + 1102TIP3 H139372 -4.180 3.261 0.060 + 1102TIP3 H239373 -4.046 3.212 0.105 + 1102TIP3 OH239374 -4.180 3.249 -0.302 + 1102TIP3 H139375 -4.131 3.316 -0.353 + 1102TIP3 H239376 -4.234 3.305 -0.244 + 1102TIP3 OH239377 -3.614 3.282 0.106 + 1102TIP3 H139378 -3.523 3.314 0.092 + 1102TIP3 H239379 -3.617 3.275 0.202 + 1102TIP3 OH239380 -3.054 3.288 0.247 + 1102TIP3 H139381 -3.030 3.272 0.155 + 1102TIP3 H239382 -3.094 3.202 0.272 + 1102TIP3 OH239383 -2.944 3.288 -0.154 + 1102TIP3 H139384 -3.026 3.340 -0.167 + 1102TIP3 H239385 -2.980 3.198 -0.142 + 1102TIP3 OH239386 -4.006 3.437 -0.448 + 1102TIP3 H139387 -3.949 3.380 -0.501 + 1102TIP3 H239388 -3.944 3.466 -0.379 + 1102TIP3 OH239389 -3.499 3.451 -0.189 + 1102TIP3 H139390 -3.465 3.394 -0.119 + 1102TIP3 H239391 -3.479 3.538 -0.152 + 1102TIP3 OH239392 -4.080 3.327 1.069 + 1102TIP3 H139393 -4.125 3.251 1.109 + 1102TIP3 H239394 -3.988 3.312 1.097 + 1102TIP3 OH239395 -3.841 3.265 1.248 + 1102TIP3 H139396 -3.761 3.228 1.205 + 1102TIP3 H239397 -3.879 3.185 1.289 + 1103TIP3 OH239398 -3.029 3.186 1.267 + 1103TIP3 H139399 -3.022 3.139 1.352 + 1103TIP3 H239400 -2.938 3.179 1.234 + 1103TIP3 OH239401 -1.275 4.201 0.128 + 1103TIP3 H139402 -1.302 4.294 0.129 + 1103TIP3 H239403 -1.346 4.162 0.075 + 1103TIP3 OH239404 -1.413 4.133 0.457 + 1103TIP3 H139405 -1.389 4.081 0.535 + 1103TIP3 H239406 -1.413 4.068 0.386 + 1103TIP3 OH239407 -2.083 4.060 0.598 + 1103TIP3 H139408 -2.119 3.999 0.665 + 1103TIP3 H239409 -2.061 4.135 0.656 + 1103TIP3 OH239410 -2.378 3.889 0.012 + 1103TIP3 H139411 -2.427 3.974 0.013 + 1103TIP3 H239412 -2.443 3.831 -0.030 + 1103TIP3 OH239413 -2.260 4.139 0.210 + 1103TIP3 H139414 -2.279 4.052 0.251 + 1103TIP3 H239415 -2.210 4.111 0.133 + 1103TIP3 OH239416 -0.675 3.523 0.571 + 1103TIP3 H139417 -0.650 3.584 0.643 + 1103TIP3 H239418 -0.613 3.551 0.502 + 1103TIP3 OH239419 -1.212 3.804 0.558 + 1103TIP3 H139420 -1.196 3.708 0.564 + 1103TIP3 H239421 -1.222 3.816 0.462 + 1103TIP3 OH239422 -1.917 3.611 0.275 + 1103TIP3 H139423 -1.901 3.689 0.218 + 1103TIP3 H239424 -1.952 3.549 0.207 + 1103TIP3 OH239425 -1.128 3.624 0.102 + 1103TIP3 H139426 -1.068 3.582 0.167 + 1103TIP3 H239427 -1.064 3.668 0.044 + 1104TIP3 OH239428 -2.226 3.878 0.318 + 1104TIP3 H139429 -2.186 3.815 0.380 + 1104TIP3 H239430 -2.227 3.826 0.236 + 1104TIP3 OH239431 -0.600 3.661 0.821 + 1104TIP3 H139432 -0.660 3.732 0.791 + 1104TIP3 H239433 -0.624 3.656 0.914 + 1104TIP3 OH239434 -2.032 3.485 0.683 + 1104TIP3 H139435 -2.073 3.538 0.614 + 1104TIP3 H239436 -2.098 3.496 0.755 + 1104TIP3 OH239437 -1.795 4.262 0.650 + 1104TIP3 H139438 -1.870 4.323 0.637 + 1104TIP3 H239439 -1.722 4.323 0.639 + 1104TIP3 OH239440 -0.947 3.543 0.303 + 1104TIP3 H139441 -0.984 3.485 0.371 + 1104TIP3 H239442 -0.893 3.603 0.356 + 1104TIP3 OH239443 -2.053 3.704 0.492 + 1104TIP3 H139444 -1.989 3.750 0.548 + 1104TIP3 H239445 -1.997 3.665 0.421 + 1104TIP3 OH239446 -0.932 3.461 0.687 + 1104TIP3 H139447 -1.009 3.500 0.642 + 1104TIP3 H239448 -0.859 3.480 0.625 + 1104TIP3 OH239449 -1.620 3.225 0.392 + 1104TIP3 H139450 -1.642 3.130 0.393 + 1104TIP3 H239451 -1.701 3.264 0.429 + 1104TIP3 OH239452 -1.421 4.144 -0.133 + 1104TIP3 H139453 -1.488 4.176 -0.195 + 1104TIP3 H239454 -1.345 4.133 -0.193 + 1104TIP3 OH239455 -1.381 3.941 -0.415 + 1104TIP3 H139456 -1.308 3.979 -0.364 + 1104TIP3 H239457 -1.333 3.892 -0.483 + 1105TIP3 OH239458 -0.669 4.056 0.691 + 1105TIP3 H139459 -0.735 4.127 0.702 + 1105TIP3 H239460 -0.618 4.094 0.616 + 1105TIP3 OH239461 -1.051 4.139 -0.033 + 1105TIP3 H139462 -1.115 4.162 0.036 + 1105TIP3 H239463 -0.984 4.089 0.017 + 1105TIP3 OH239464 -1.078 3.981 0.859 + 1105TIP3 H139465 -1.075 4.057 0.919 + 1105TIP3 H239466 -1.131 4.019 0.788 + 1105TIP3 OH239467 -1.883 4.158 0.179 + 1105TIP3 H139468 -1.912 4.185 0.090 + 1105TIP3 H239469 -1.796 4.124 0.156 + 1105TIP3 OH239470 -1.171 4.075 -0.269 + 1105TIP3 H139471 -1.112 4.101 -0.194 + 1105TIP3 H239472 -1.124 4.119 -0.345 + 1105TIP3 OH239473 -2.062 4.149 0.886 + 1105TIP3 H139474 -2.051 4.214 0.959 + 1105TIP3 H239475 -2.159 4.138 0.892 + 1105TIP3 OH239476 -0.818 3.246 -0.329 + 1105TIP3 H139477 -0.903 3.252 -0.282 + 1105TIP3 H239478 -0.783 3.336 -0.318 + 1105TIP3 OH239479 -2.018 4.089 -0.078 + 1105TIP3 H139480 -2.024 4.165 -0.140 + 1105TIP3 H239481 -2.068 4.021 -0.125 + 1105TIP3 OH239482 -2.364 4.306 0.775 + 1105TIP3 H139483 -2.432 4.299 0.707 + 1105TIP3 H239484 -2.379 4.228 0.831 + 1105TIP3 OH239485 -0.879 3.838 1.093 + 1105TIP3 H139486 -0.929 3.875 1.019 + 1105TIP3 H239487 -0.873 3.744 1.066 + 1106TIP3 OH239488 -1.863 3.342 0.489 + 1106TIP3 H139489 -1.944 3.329 0.438 + 1106TIP3 H239490 -1.892 3.411 0.550 + 1106TIP3 OH239491 -1.427 3.308 0.848 + 1106TIP3 H139492 -1.374 3.252 0.909 + 1106TIP3 H239493 -1.517 3.271 0.859 + 1106TIP3 OH239494 -1.110 3.685 0.896 + 1106TIP3 H139495 -1.170 3.669 0.971 + 1106TIP3 H239496 -1.117 3.781 0.882 + 1106TIP3 OH239497 -1.030 4.174 -0.475 + 1106TIP3 H139498 -1.036 4.159 -0.571 + 1106TIP3 H239499 -0.942 4.216 -0.468 + 1106TIP3 OH239500 -1.444 3.557 -0.427 + 1106TIP3 H139501 -1.493 3.543 -0.344 + 1106TIP3 H239502 -1.484 3.488 -0.483 + 1106TIP3 OH239503 -1.876 3.854 0.141 + 1106TIP3 H139504 -1.967 3.848 0.105 + 1106TIP3 H239505 -1.826 3.841 0.058 + 1106TIP3 OH239506 -1.321 3.899 -0.009 + 1106TIP3 H139507 -1.366 3.975 -0.050 + 1106TIP3 H239508 -1.253 3.878 -0.075 + 1106TIP3 OH239509 -1.403 3.921 1.130 + 1106TIP3 H139510 -1.452 3.843 1.163 + 1106TIP3 H239511 -1.314 3.904 1.168 + 1106TIP3 OH239512 -1.246 3.833 0.269 + 1106TIP3 H139513 -1.269 3.886 0.190 + 1106TIP3 H239514 -1.220 3.750 0.224 + 1106TIP3 OH239515 -2.138 3.839 0.791 + 1106TIP3 H139516 -2.113 3.882 0.873 + 1106TIP3 H239517 -2.169 3.753 0.823 + 1107TIP3 OH239518 -1.800 3.603 -0.535 + 1107TIP3 H139519 -1.838 3.566 -0.453 + 1107TIP3 H239520 -1.879 3.618 -0.590 + 1107TIP3 OH239521 -2.450 3.594 0.173 + 1107TIP3 H139522 -2.388 3.587 0.247 + 1107TIP3 H239523 -2.404 3.550 0.100 + 1107TIP3 OH239524 -2.298 3.633 -0.257 + 1107TIP3 H139525 -2.244 3.681 -0.324 + 1107TIP3 H239526 -2.368 3.699 -0.241 + 1107TIP3 OH239527 -1.340 3.997 0.709 + 1107TIP3 H139528 -1.285 3.930 0.662 + 1107TIP3 H239529 -1.365 3.947 0.789 + 1107TIP3 OH239530 -1.608 3.593 0.213 + 1107TIP3 H139531 -1.702 3.582 0.236 + 1107TIP3 H239532 -1.564 3.572 0.297 + 1107TIP3 OH239533 -2.142 3.724 0.082 + 1107TIP3 H139534 -2.224 3.747 0.034 + 1107TIP3 H239535 -2.110 3.645 0.034 + 1107TIP3 OH239536 -1.787 3.760 -0.140 + 1107TIP3 H139537 -1.690 3.757 -0.145 + 1107TIP3 H239538 -1.813 3.808 -0.221 + 1107TIP3 OH239539 -1.167 3.508 0.516 + 1107TIP3 H139540 -1.231 3.507 0.590 + 1107TIP3 H239541 -1.224 3.474 0.445 + 1107TIP3 OH239542 -1.939 3.874 -0.371 + 1107TIP3 H139543 -1.997 3.845 -0.443 + 1107TIP3 H239544 -1.858 3.898 -0.420 + 1107TIP3 OH239545 -2.071 4.325 1.090 + 1107TIP3 H139546 -2.010 4.366 1.154 + 1107TIP3 H239547 -2.134 4.280 1.151 + 1108TIP3 OH239548 -1.532 3.867 0.378 + 1108TIP3 H139549 -1.455 3.828 0.334 + 1108TIP3 H239550 -1.540 3.813 0.458 + 1108TIP3 OH239551 -1.973 3.490 0.018 + 1108TIP3 H139552 -2.028 3.411 0.030 + 1108TIP3 H239553 -1.893 3.454 -0.023 + 1108TIP3 OH239554 -1.647 3.731 0.627 + 1108TIP3 H139555 -1.715 3.773 0.680 + 1108TIP3 H239556 -1.572 3.737 0.689 + 1108TIP3 OH239557 -1.649 4.361 -0.157 + 1108TIP3 H139558 -1.666 4.304 -0.234 + 1108TIP3 H239559 -1.572 4.325 -0.112 + 1108TIP3 OH239560 -0.844 4.266 0.678 + 1108TIP3 H139561 -0.819 4.312 0.596 + 1108TIP3 H239562 -0.939 4.256 0.660 + 1108TIP3 OH239563 -1.176 3.615 -0.412 + 1108TIP3 H139564 -1.275 3.614 -0.416 + 1108TIP3 H239565 -1.158 3.689 -0.350 + 1108TIP3 OH239566 -1.109 3.798 -0.203 + 1108TIP3 H139567 -1.020 3.782 -0.166 + 1108TIP3 H239568 -1.097 3.885 -0.247 + 1108TIP3 OH239569 -2.007 4.245 0.403 + 1108TIP3 H139570 -1.980 4.239 0.308 + 1108TIP3 H239571 -2.076 4.179 0.413 + 1108TIP3 OH239572 -2.340 4.073 0.929 + 1108TIP3 H139573 -2.343 4.056 1.025 + 1108TIP3 H239574 -2.421 4.031 0.896 + 1108TIP3 OH239575 -1.657 4.052 1.116 + 1108TIP3 H139576 -1.691 4.025 1.029 + 1108TIP3 H239577 -1.563 4.027 1.110 + 1109TIP3 OH239578 -0.650 3.798 -0.232 + 1109TIP3 H139579 -0.705 3.779 -0.311 + 1109TIP3 H239580 -0.637 3.893 -0.247 + 1109TIP3 OH239581 -1.103 4.178 0.548 + 1109TIP3 H139582 -1.192 4.185 0.512 + 1109TIP3 H239583 -1.053 4.136 0.476 + 1109TIP3 OH239584 -2.248 4.094 -0.427 + 1109TIP3 H139585 -2.188 4.155 -0.381 + 1109TIP3 H239586 -2.333 4.113 -0.383 + 1109TIP3 OH239587 -2.221 3.563 0.880 + 1109TIP3 H139588 -2.311 3.590 0.856 + 1109TIP3 H239589 -2.237 3.477 0.923 + 1109TIP3 OH239590 -2.072 -4.388 -0.241 + 1109TIP3 H139591 -2.162 -4.352 -0.230 + 1109TIP3 H239592 -2.024 -4.308 -0.268 + 1109TIP3 OH239593 -1.333 3.550 0.734 + 1109TIP3 H139594 -1.268 3.579 0.801 + 1109TIP3 H239595 -1.376 3.473 0.777 + 1109TIP3 OH239596 -1.263 3.495 -0.138 + 1109TIP3 H139597 -1.244 3.544 -0.219 + 1109TIP3 H239598 -1.213 3.543 -0.071 + 1109TIP3 OH239599 -1.520 3.692 -0.045 + 1109TIP3 H139600 -1.443 3.750 -0.030 + 1109TIP3 H239601 -1.550 3.675 0.047 + 1109TIP3 OH239602 -1.484 3.792 0.870 + 1109TIP3 H139603 -1.480 3.837 0.955 + 1109TIP3 H239604 -1.436 3.710 0.889 + 1109TIP3 OH239605 -1.457 3.397 0.052 + 1109TIP3 H139606 -1.481 3.467 0.115 + 1109TIP3 H239607 -1.386 3.441 -0.000 + 1110TIP3 OH239608 -1.888 3.495 -0.296 + 1110TIP3 H139609 -1.887 3.571 -0.235 + 1110TIP3 H239610 -1.806 3.449 -0.268 + 1110TIP3 OH239611 -0.855 3.585 0.961 + 1110TIP3 H139612 -0.951 3.595 0.946 + 1110TIP3 H239613 -0.830 3.562 0.870 + 1110TIP3 OH239614 -1.004 3.966 0.355 + 1110TIP3 H139615 -1.088 3.921 0.338 + 1110TIP3 H239616 -0.956 3.900 0.409 + 1110TIP3 OH239617 -2.236 3.800 -0.474 + 1110TIP3 H139618 -2.221 3.895 -0.459 + 1110TIP3 H239619 -2.319 3.801 -0.524 + 1110TIP3 OH239620 -2.142 3.306 0.401 + 1110TIP3 H139621 -2.160 3.303 0.305 + 1110TIP3 H239622 -2.175 3.220 0.431 + 1110TIP3 OH239623 -1.694 4.329 1.156 + 1110TIP3 H139624 -1.694 4.341 1.060 + 1110TIP3 H239625 -1.666 4.235 1.163 + 1110TIP3 OH239626 -1.099 -4.376 0.933 + 1110TIP3 H139627 -1.021 -4.331 0.899 + 1110TIP3 H239628 -1.168 -4.312 0.913 + 1110TIP3 OH239629 -1.781 4.160 -0.319 + 1110TIP3 H139630 -1.839 4.115 -0.258 + 1110TIP3 H239631 -1.762 4.091 -0.385 + 1110TIP3 OH239632 -1.849 3.926 0.896 + 1110TIP3 H139633 -1.912 3.990 0.933 + 1110TIP3 H239634 -1.789 3.984 0.845 + 1110TIP3 OH239635 -1.693 3.957 -0.487 + 1110TIP3 H139636 -1.696 3.971 -0.584 + 1110TIP3 H239637 -1.597 3.956 -0.471 + 1111TIP3 OH239638 -1.331 4.216 1.274 + 1111TIP3 H139639 -1.245 4.194 1.236 + 1111TIP3 H239640 -1.367 4.130 1.298 + 1111TIP3 OH239641 -0.762 4.189 -0.565 + 1111TIP3 H139642 -0.771 4.185 -0.662 + 1111TIP3 H239643 -0.760 4.285 -0.546 + 1111TIP3 OH239644 -1.804 3.663 1.030 + 1111TIP3 H139645 -1.797 3.597 0.959 + 1111TIP3 H239646 -1.827 3.743 0.980 + 1111TIP3 OH239647 -1.773 3.513 0.773 + 1111TIP3 H139648 -1.723 3.559 0.703 + 1111TIP3 H239649 -1.864 3.510 0.739 + 1111TIP3 OH239650 -1.623 4.068 0.797 + 1111TIP3 H139651 -1.533 4.059 0.759 + 1111TIP3 H239652 -1.648 4.157 0.771 + 1111TIP3 OH239653 -1.157 3.849 1.293 + 1111TIP3 H139654 -1.138 3.755 1.305 + 1111TIP3 H239655 -1.067 3.886 1.288 + 1111TIP3 OH239656 -1.062 4.137 1.128 + 1111TIP3 H139657 -1.085 4.209 1.065 + 1111TIP3 H239658 -0.972 4.117 1.099 + 1111TIP3 OH239659 -1.967 3.859 1.203 + 1111TIP3 H139660 -2.045 3.802 1.206 + 1111TIP3 H239661 -1.900 3.802 1.164 + 1111TIP3 OH239662 -1.701 3.245 0.813 + 1111TIP3 H139663 -1.722 3.339 0.797 + 1111TIP3 H239664 -1.772 3.199 0.764 + 1111TIP3 OH239665 -1.572 3.702 1.187 + 1111TIP3 H139666 -1.606 3.681 1.276 + 1111TIP3 H239667 -1.652 3.681 1.134 + 1112TIP3 OH239668 -1.319 3.607 1.075 + 1112TIP3 H139669 -1.408 3.612 1.117 + 1112TIP3 H239670 -1.274 3.542 1.132 + 1112TIP3 OH239671 -1.133 3.454 1.248 + 1112TIP3 H139672 -1.150 3.359 1.262 + 1112TIP3 H239673 -1.153 3.494 1.334 + 1112TIP3 OH239674 -2.122 3.595 1.197 + 1112TIP3 H139675 -2.126 3.526 1.129 + 1112TIP3 H239676 -2.142 3.544 1.278 + 1112TIP3 OH239677 -1.698 3.182 1.094 + 1112TIP3 H139678 -1.639 3.105 1.092 + 1112TIP3 H239679 -1.708 3.197 0.998 + 1112TIP3 OH239680 -1.621 3.379 1.278 + 1112TIP3 H139681 -1.646 3.317 1.207 + 1112TIP3 H239682 -1.692 3.445 1.276 + 1112TIP3 OH239683 -0.684 4.359 -0.126 + 1112TIP3 H139684 -0.588 4.365 -0.139 + 1112TIP3 H239685 -0.696 4.276 -0.078 + 1112TIP3 OH239686 -0.645 4.130 0.038 + 1112TIP3 H139687 -0.723 4.088 0.079 + 1112TIP3 H239688 -0.589 4.152 0.115 + 1112TIP3 OH239689 -0.627 4.094 -0.309 + 1112TIP3 H139690 -0.690 4.116 -0.380 + 1112TIP3 H239691 -0.641 4.168 -0.248 + 1112TIP3 OH239692 -0.800 3.842 -0.475 + 1112TIP3 H139693 -0.780 3.907 -0.545 + 1112TIP3 H239694 -0.824 3.762 -0.525 + 1112TIP3 OH239695 -0.872 3.966 0.113 + 1112TIP3 H139696 -0.873 3.869 0.100 + 1112TIP3 H239697 -0.908 3.973 0.204 + 1113TIP3 OH239698 -2.385 4.167 0.501 + 1113TIP3 H139699 -2.369 4.197 0.411 + 1113TIP3 H239700 -2.300 4.182 0.545 + 1113TIP3 OH239701 -0.785 4.160 1.033 + 1113TIP3 H139702 -0.713 4.101 1.061 + 1113TIP3 H239703 -0.742 4.244 1.011 + 1113TIP3 OH239704 -0.644 3.965 1.153 + 1113TIP3 H139705 -0.725 3.913 1.134 + 1113TIP3 H239706 -0.576 3.896 1.156 + 1113TIP3 OH239707 -0.854 3.578 -0.558 + 1113TIP3 H139708 -0.797 3.529 -0.495 + 1113TIP3 H239709 -0.935 3.524 -0.562 + 1113TIP3 OH239710 -0.873 3.706 -0.059 + 1113TIP3 H139711 -0.848 3.611 -0.055 + 1113TIP3 H239712 -0.793 3.742 -0.101 + 1113TIP3 OH239713 -0.852 3.768 0.481 + 1113TIP3 H139714 -0.754 3.779 0.479 + 1113TIP3 H239715 -0.866 3.771 0.578 + 1113TIP3 OH239716 -0.834 3.837 0.765 + 1113TIP3 H139717 -0.920 3.875 0.789 + 1113TIP3 H239718 -0.783 3.917 0.741 + 1113TIP3 OH239719 -2.389 3.713 1.129 + 1113TIP3 H139720 -2.294 3.694 1.135 + 1113TIP3 H239721 -2.428 3.625 1.141 + 1113TIP3 OH239722 -0.578 3.254 1.294 + 1113TIP3 H139723 -0.537 3.184 1.239 + 1113TIP3 H239724 -0.575 3.330 1.234 + 1113TIP3 OH239725 -0.827 3.427 -0.063 + 1113TIP3 H139726 -0.815 3.393 0.028 + 1113TIP3 H239727 -0.906 3.378 -0.092 + 1114TIP3 OH239728 -2.292 3.561 0.414 + 1114TIP3 H139729 -2.255 3.471 0.421 + 1114TIP3 H239730 -2.225 3.613 0.461 + 1114TIP3 OH239731 -2.455 3.816 0.519 + 1114TIP3 H139732 -2.398 3.812 0.441 + 1114TIP3 H239733 -2.425 3.897 0.562 + 1114TIP3 OH239734 -0.640 3.458 1.117 + 1114TIP3 H139735 -0.729 3.499 1.122 + 1114TIP3 H239736 -0.652 3.402 1.038 + 1114TIP3 OH239737 -0.631 3.476 -0.397 + 1114TIP3 H139738 -0.599 3.395 -0.440 + 1114TIP3 H239739 -0.549 3.527 -0.389 + 1114TIP3 OH239740 -2.405 3.450 -0.076 + 1114TIP3 H139741 -2.500 3.453 -0.099 + 1114TIP3 H239742 -2.364 3.509 -0.143 + 1114TIP3 OH239743 -2.400 3.338 0.737 + 1114TIP3 H139744 -2.471 3.310 0.796 + 1114TIP3 H239745 -2.450 3.389 0.671 + 1114TIP3 OH239746 -0.754 3.278 0.915 + 1114TIP3 H139747 -0.834 3.299 0.864 + 1114TIP3 H239748 -0.735 3.188 0.882 + 1114TIP3 OH239749 -1.416 3.431 0.363 + 1114TIP3 H139750 -1.482 3.362 0.379 + 1114TIP3 H239751 -1.355 3.385 0.303 + 1114TIP3 OH239752 -0.919 3.225 0.412 + 1114TIP3 H139753 -0.841 3.267 0.373 + 1114TIP3 H239754 -0.992 3.256 0.355 + 1114TIP3 OH239755 -0.709 3.341 0.195 + 1114TIP3 H139756 -0.638 3.297 0.143 + 1114TIP3 H239757 -0.674 3.431 0.204 + 1115TIP3 OH239758 -2.178 3.301 0.119 + 1115TIP3 H139759 -2.263 3.287 0.074 + 1115TIP3 H239760 -2.134 3.214 0.104 + 1115TIP3 OH239761 -2.295 3.250 -0.295 + 1115TIP3 H139762 -2.243 3.315 -0.345 + 1115TIP3 H239763 -2.335 3.304 -0.226 + 1115TIP3 OH239764 -1.732 3.288 0.107 + 1115TIP3 H139765 -1.638 3.307 0.088 + 1115TIP3 H239766 -1.728 3.267 0.201 + 1115TIP3 OH239767 -1.178 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H140056 0.800 4.208 1.064 + 1124TIP3 H240057 0.914 4.118 1.101 + 1125TIP3 OH240058 -0.104 3.851 1.209 + 1125TIP3 H140059 -0.154 3.767 1.208 + 1125TIP3 H240060 -0.021 3.824 1.165 + 1125TIP3 OH240061 0.186 3.244 0.810 + 1125TIP3 H140062 0.168 3.339 0.794 + 1125TIP3 H240063 0.117 3.201 0.756 + 1125TIP3 OH240064 0.313 3.702 1.188 + 1125TIP3 H140065 0.279 3.680 1.276 + 1125TIP3 H240066 0.234 3.682 1.134 + 1125TIP3 OH240067 0.567 3.608 1.076 + 1125TIP3 H140068 0.478 3.611 1.117 + 1125TIP3 H240069 0.613 3.543 1.132 + 1125TIP3 OH240070 0.751 3.455 1.247 + 1125TIP3 H140071 0.737 3.359 1.262 + 1125TIP3 H240072 0.733 3.493 1.335 + 1125TIP3 OH240073 -0.231 3.594 1.193 + 1125TIP3 H140074 -0.240 3.524 1.126 + 1125TIP3 H240075 -0.254 3.546 1.275 + 1125TIP3 OH240076 0.171 3.192 1.092 + 1125TIP3 H140077 0.230 3.115 1.097 + 1125TIP3 H240078 0.168 3.207 0.995 + 1125TIP3 OH240079 0.265 3.379 1.277 + 1125TIP3 H140080 0.236 3.319 1.205 + 1125TIP3 H240081 0.195 3.446 1.278 + 1125TIP3 OH240082 1.206 4.366 -0.118 + 1125TIP3 H140083 1.299 4.361 -0.143 + 1125TIP3 H240084 1.186 4.278 -0.082 + 1125TIP3 OH240085 1.241 4.128 0.037 + 1125TIP3 H140086 1.161 4.089 0.079 + 1125TIP3 H240087 1.297 4.151 0.114 + 1126TIP3 OH240088 1.258 4.093 -0.309 + 1126TIP3 H140089 1.195 4.117 -0.380 + 1126TIP3 H240090 1.246 4.167 -0.248 + 1126TIP3 OH240091 1.086 3.843 -0.475 + 1126TIP3 H140092 1.105 3.907 -0.545 + 1126TIP3 H240093 1.062 3.763 -0.525 + 1126TIP3 OH240094 1.005 3.967 0.109 + 1126TIP3 H140095 1.011 3.870 0.098 + 1126TIP3 H240096 0.976 3.974 0.203 + 1126TIP3 OH240097 -0.501 4.186 0.511 + 1126TIP3 H140098 -0.491 4.203 0.416 + 1126TIP3 H240099 -0.410 4.161 0.537 + 1126TIP3 OH240100 1.099 4.161 1.037 + 1126TIP3 H140101 1.171 4.101 1.061 + 1126TIP3 H240102 1.143 4.244 1.010 + 1126TIP3 OH240103 1.242 3.965 1.152 + 1126TIP3 H140104 1.161 3.912 1.134 + 1126TIP3 H240105 1.310 3.896 1.156 + 1126TIP3 OH240106 1.031 3.578 -0.557 + 1126TIP3 H140107 1.089 3.529 -0.496 + 1126TIP3 H240108 0.951 3.524 -0.562 + 1126TIP3 OH240109 1.013 3.706 -0.059 + 1126TIP3 H140110 1.038 3.611 -0.054 + 1126TIP3 H240111 1.094 3.742 -0.101 + 1126TIP3 OH240112 1.035 3.768 0.482 + 1126TIP3 H140113 1.132 3.779 0.481 + 1126TIP3 H240114 1.020 3.770 0.578 + 1126TIP3 OH240115 1.052 3.837 0.765 + 1126TIP3 H140116 0.966 3.875 0.789 + 1126TIP3 H240117 1.103 3.918 0.741 + 1127TIP3 OH240118 -0.501 3.716 1.135 + 1127TIP3 H140119 -0.407 3.690 1.134 + 1127TIP3 H240120 -0.545 3.630 1.139 + 1127TIP3 OH240121 1.307 3.253 1.294 + 1127TIP3 H140122 1.348 3.183 1.239 + 1127TIP3 H240123 1.310 3.330 1.234 + 1127TIP3 OH240124 1.059 3.427 -0.064 + 1127TIP3 H140125 1.070 3.394 0.027 + 1127TIP3 H240126 0.979 3.378 -0.092 + 1127TIP3 OH240127 -0.423 3.547 0.412 + 1127TIP3 H140128 -0.378 3.461 0.419 + 1127TIP3 H240129 -0.354 3.607 0.447 + 1127TIP3 OH240130 -0.568 3.815 0.518 + 1127TIP3 H140131 -0.509 3.812 0.441 + 1127TIP3 H240132 -0.535 3.894 0.563 + 1127TIP3 OH240133 1.245 3.458 1.117 + 1127TIP3 H140134 1.157 3.499 1.123 + 1127TIP3 H240135 1.233 3.402 1.038 + 1127TIP3 OH240136 1.255 3.475 -0.397 + 1127TIP3 H140137 1.286 3.395 -0.442 + 1127TIP3 H240138 1.336 3.527 -0.389 + 1127TIP3 OH240139 -0.519 3.448 -0.078 + 1127TIP3 H140140 -0.614 3.452 -0.098 + 1127TIP3 H240141 -0.479 3.508 -0.143 + 1127TIP3 OH240142 -0.514 3.339 0.739 + 1127TIP3 H140143 -0.586 3.309 0.796 + 1127TIP3 H240144 -0.564 3.387 0.670 + 1127TIP3 OH240145 1.132 3.280 0.916 + 1127TIP3 H140146 1.051 3.299 0.865 + 1127TIP3 H240147 1.154 3.190 0.883 + 1128TIP3 OH240148 0.473 3.431 0.361 + 1128TIP3 H140149 0.405 3.362 0.377 + 1128TIP3 H240150 0.535 3.383 0.302 + 1128TIP3 OH240151 0.970 3.234 0.410 + 1128TIP3 H140152 1.046 3.277 0.367 + 1128TIP3 H240153 0.896 3.260 0.353 + 1128TIP3 OH240154 1.177 3.343 0.195 + 1128TIP3 H140155 1.248 3.300 0.144 + 1128TIP3 H240156 1.211 3.434 0.204 + 1128TIP3 OH240157 -0.299 3.295 0.118 + 1128TIP3 H140158 -0.383 3.283 0.070 + 1128TIP3 H240159 -0.258 3.207 0.104 + 1128TIP3 OH240160 -0.412 3.252 -0.296 + 1128TIP3 H140161 -0.358 3.317 -0.345 + 1128TIP3 H240162 -0.449 3.305 -0.225 + 1128TIP3 OH240163 0.156 3.285 0.105 + 1128TIP3 H140164 0.249 3.311 0.091 + 1128TIP3 H240165 0.153 3.272 0.200 + 1128TIP3 OH240166 0.715 3.288 0.246 + 1128TIP3 H140167 0.743 3.270 0.156 + 1128TIP3 H240168 0.677 3.202 0.272 + 1128TIP3 OH240169 0.826 3.288 -0.154 + 1128TIP3 H140170 0.744 3.338 -0.169 + 1128TIP3 H240171 0.792 3.198 -0.139 + 1128TIP3 OH240172 -0.238 3.434 -0.451 + 1128TIP3 H140173 -0.177 3.376 -0.501 + 1128TIP3 H240174 -0.179 3.466 -0.380 + 1128TIP3 OH240175 0.271 3.451 -0.190 + 1128TIP3 H140176 0.306 3.392 -0.120 + 1128TIP3 H240177 0.292 3.537 -0.151 + 1129TIP3 OH240178 -0.311 3.325 1.072 + 1129TIP3 H140179 -0.351 3.243 1.106 + 1129TIP3 H240180 -0.218 3.312 1.097 + 1129TIP3 OH240181 -0.072 3.264 1.245 + 1129TIP3 H140182 0.010 3.229 1.204 + 1129TIP3 H240183 -0.107 3.184 1.287 + 1129TIP3 OH240184 0.740 3.175 1.262 + 1129TIP3 H140185 0.744 3.132 1.349 + 1129TIP3 H240186 0.834 3.171 1.235 + 1129TIP3 OH240187 2.498 4.203 0.126 + 1129TIP3 H140188 2.468 4.295 0.126 + 1129TIP3 H240189 2.424 4.160 0.080 + 1129TIP3 OH240190 2.377 4.133 0.454 + 1129TIP3 H140191 2.382 4.079 0.535 + 1129TIP3 H240192 2.354 4.068 0.387 + 1129TIP3 OH240193 1.623 4.082 0.615 + 1129TIP3 H140194 1.621 4.007 0.677 + 1129TIP3 H240195 1.697 4.133 0.651 + 1129TIP3 OH240196 1.393 3.885 0.007 + 1129TIP3 H140197 1.350 3.972 0.014 + 1129TIP3 H240198 1.324 3.832 -0.034 + 1129TIP3 OH240199 1.487 4.135 0.194 + 1129TIP3 H140200 1.486 4.055 0.250 + 1129TIP3 H240201 1.567 4.120 0.143 + 1129TIP3 OH240202 3.098 3.522 0.572 + 1129TIP3 H140203 3.122 3.585 0.642 + 1129TIP3 H240204 3.158 3.550 0.501 + 1129TIP3 OH240205 2.561 3.804 0.560 + 1129TIP3 H140206 2.575 3.707 0.564 + 1129TIP3 H240207 2.552 3.818 0.465 + 1130TIP3 OH240208 1.859 3.605 0.267 + 1130TIP3 H140209 1.872 3.691 0.222 + 1130TIP3 H240210 1.823 3.553 0.192 + 1130TIP3 OH240211 2.643 3.622 0.098 + 1130TIP3 H140212 2.702 3.580 0.165 + 1130TIP3 H240213 2.709 3.667 0.043 + 1130TIP3 OH240214 1.524 3.877 0.318 + 1130TIP3 H140215 1.589 3.831 0.374 + 1130TIP3 H240216 1.535 3.829 0.234 + 1130TIP3 OH240217 2.068 4.018 0.266 + 1130TIP3 H140218 2.135 3.960 0.305 + 1130TIP3 H240219 2.013 3.954 0.216 + 1130TIP3 OH240220 3.171 3.661 0.821 + 1130TIP3 H140221 3.113 3.732 0.790 + 1130TIP3 H240222 3.146 3.656 0.914 + 1130TIP3 OH240223 1.737 3.484 0.683 + 1130TIP3 H140224 1.697 3.535 0.611 + 1130TIP3 H240225 1.672 3.498 0.754 + 1130TIP3 OH240226 2.010 4.266 0.660 + 1130TIP3 H140227 1.929 4.319 0.667 + 1130TIP3 H240228 2.075 4.337 0.653 + 1130TIP3 OH240229 2.826 3.546 0.302 + 1130TIP3 H140230 2.786 3.488 0.369 + 1130TIP3 H240231 2.878 3.607 0.357 + 1130TIP3 OH240232 1.698 3.689 0.477 + 1130TIP3 H140233 1.762 3.746 0.524 + 1130TIP3 H240234 1.755 3.653 0.406 + 1130TIP3 OH240235 2.839 3.461 0.686 + 1130TIP3 H140236 2.762 3.501 0.641 + 1130TIP3 H240237 2.911 3.481 0.624 + 1131TIP3 OH240238 2.151 3.232 0.390 + 1131TIP3 H140239 2.129 3.138 0.387 + 1131TIP3 H240240 2.069 3.271 0.428 + 1131TIP3 OH240241 2.349 4.144 -0.134 + 1131TIP3 H140242 2.284 4.178 -0.198 + 1131TIP3 H240243 2.427 4.134 -0.192 + 1131TIP3 OH240244 2.390 3.942 -0.416 + 1131TIP3 H140245 2.463 3.979 -0.363 + 1131TIP3 H240246 2.439 3.892 -0.483 + 1131TIP3 OH240247 3.102 4.056 0.691 + 1131TIP3 H140248 3.036 4.128 0.703 + 1131TIP3 H240249 3.153 4.094 0.616 + 1131TIP3 OH240250 2.721 4.141 -0.033 + 1131TIP3 H140251 2.655 4.162 0.036 + 1131TIP3 H240252 2.787 4.090 0.017 + 1131TIP3 OH240253 2.694 3.981 0.859 + 1131TIP3 H140254 2.697 4.058 0.917 + 1131TIP3 H240255 2.638 4.017 0.788 + 1131TIP3 OH240256 1.872 4.205 0.162 + 1131TIP3 H140257 1.853 4.181 0.069 + 1131TIP3 H240258 1.953 4.154 0.179 + 1131TIP3 OH240259 1.925 4.069 0.500 + 1131TIP3 H140260 1.984 4.074 0.422 + 1131TIP3 H240261 1.959 4.142 0.556 + 1131TIP3 OH240262 2.601 4.075 -0.269 + 1131TIP3 H140263 2.659 4.101 -0.194 + 1131TIP3 H240264 2.648 4.119 -0.345 + 1131TIP3 OH240265 1.713 4.148 0.887 + 1131TIP3 H140266 1.724 4.211 0.961 + 1131TIP3 H240267 1.616 4.139 0.886 + 1132TIP3 OH240268 2.951 3.247 -0.328 + 1132TIP3 H140269 2.865 3.258 -0.283 + 1132TIP3 H240270 2.988 3.337 -0.323 + 1132TIP3 OH240271 1.760 4.089 -0.088 + 1132TIP3 H140272 1.745 4.167 -0.146 + 1132TIP3 H240273 1.698 4.024 -0.125 + 1132TIP3 OH240274 1.353 4.308 0.789 + 1132TIP3 H140275 1.360 4.293 0.693 + 1132TIP3 H240276 1.390 4.225 0.825 + 1132TIP3 OH240277 2.893 3.838 1.093 + 1132TIP3 H140278 2.842 3.876 1.020 + 1132TIP3 H240279 2.898 3.744 1.066 + 1132TIP3 OH240280 1.909 3.347 0.483 + 1132TIP3 H140281 1.827 3.343 0.431 + 1132TIP3 H240282 1.889 3.422 0.541 + 1132TIP3 OH240283 2.346 3.305 0.846 + 1132TIP3 H140284 2.399 3.254 0.910 + 1132TIP3 H240285 2.256 3.272 0.860 + 1132TIP3 OH240286 2.664 3.685 0.900 + 1132TIP3 H140287 2.601 3.670 0.973 + 1132TIP3 H240288 2.654 3.781 0.882 + 1132TIP3 OH240289 2.740 4.177 -0.476 + 1132TIP3 H140290 2.735 4.158 -0.571 + 1132TIP3 H240291 2.829 4.215 -0.469 + 1132TIP3 OH240292 2.326 3.558 -0.427 + 1132TIP3 H140293 2.277 3.544 -0.345 + 1132TIP3 H240294 2.286 3.490 -0.484 + 1132TIP3 OH240295 1.895 3.824 0.626 + 1132TIP3 H140296 1.835 3.838 0.701 + 1132TIP3 H240297 1.904 3.914 0.588 + 1133TIP3 OH240298 1.890 3.834 0.111 + 1133TIP3 H140299 1.794 3.826 0.094 + 1133TIP3 H240300 1.924 3.816 0.021 + 1133TIP3 OH240301 2.450 3.899 -0.009 + 1133TIP3 H140302 2.404 3.975 -0.049 + 1133TIP3 H240303 2.518 3.879 -0.076 + 1133TIP3 OH240304 2.370 3.921 1.133 + 1133TIP3 H140305 2.319 3.843 1.165 + 1133TIP3 H240306 2.458 3.904 1.170 + 1133TIP3 OH240307 2.533 3.830 0.266 + 1133TIP3 H140308 2.506 3.885 0.190 + 1133TIP3 H240309 2.559 3.749 0.218 + 1133TIP3 OH240310 1.634 3.841 0.803 + 1133TIP3 H140311 1.655 3.878 0.889 + 1133TIP3 H240312 1.598 3.754 0.827 + 1133TIP3 OH240313 1.970 3.603 -0.536 + 1133TIP3 H140314 1.934 3.567 -0.453 + 1133TIP3 H240315 1.891 3.616 -0.590 + 1133TIP3 OH240316 1.314 3.591 0.171 + 1133TIP3 H140317 1.375 3.588 0.247 + 1133TIP3 H240318 1.365 3.552 0.099 + 1133TIP3 OH240319 1.473 3.634 -0.258 + 1133TIP3 H140320 1.527 3.682 -0.324 + 1133TIP3 H240321 1.403 3.699 -0.240 + 1133TIP3 OH240322 2.432 3.997 0.710 + 1133TIP3 H140323 2.486 3.930 0.662 + 1133TIP3 H240324 2.405 3.945 0.787 + 1133TIP3 OH240325 2.166 3.592 0.214 + 1133TIP3 H140326 2.071 3.591 0.237 + 1133TIP3 H240327 2.207 3.576 0.301 + 1134TIP3 OH240328 1.622 3.716 0.083 + 1134TIP3 H140329 1.541 3.744 0.035 + 1134TIP3 H240330 1.651 3.638 0.034 + 1134TIP3 OH240331 1.987 3.751 -0.150 + 1134TIP3 H140332 2.083 3.759 -0.146 + 1134TIP3 H240333 1.962 3.810 -0.224 + 1134TIP3 OH240334 2.605 3.507 0.516 + 1134TIP3 H140335 2.541 3.508 0.591 + 1134TIP3 H240336 2.547 3.474 0.445 + 1134TIP3 OH240337 1.830 3.876 -0.372 + 1134TIP3 H140338 1.774 3.844 -0.445 + 1134TIP3 H240339 1.912 3.897 -0.420 + 1134TIP3 OH240340 1.724 4.316 1.094 + 1134TIP3 H140341 1.780 4.364 1.158 + 1134TIP3 H240342 1.643 4.304 1.148 + 1134TIP3 OH240343 2.266 3.848 0.395 + 1134TIP3 H140344 2.343 3.809 0.352 + 1134TIP3 H240345 2.253 3.789 0.472 + 1134TIP3 OH240346 1.799 3.489 0.015 + 1134TIP3 H140347 1.743 3.411 0.028 + 1134TIP3 H240348 1.877 3.452 -0.027 + 1134TIP3 OH240349 2.165 3.693 0.621 + 1134TIP3 H140350 2.088 3.753 0.622 + 1134TIP3 H240351 2.215 3.721 0.700 + 1134TIP3 OH240352 2.130 4.365 -0.160 + 1134TIP3 H140353 2.099 4.302 -0.227 + 1134TIP3 H240354 2.193 4.317 -0.106 + 1134TIP3 OH240355 2.926 4.266 0.678 + 1134TIP3 H140356 2.951 4.312 0.596 + 1134TIP3 H240357 2.831 4.256 0.659 + 1135TIP3 OH240358 2.595 3.615 -0.411 + 1135TIP3 H140359 2.497 3.614 -0.416 + 1135TIP3 H240360 2.614 3.689 -0.350 + 1135TIP3 OH240361 2.663 3.798 -0.204 + 1135TIP3 H140362 2.751 3.781 -0.166 + 1135TIP3 H240363 2.675 3.884 -0.247 + 1135TIP3 OH240364 1.719 4.247 0.380 + 1135TIP3 H140365 1.779 4.239 0.303 + 1135TIP3 H240366 1.733 4.162 0.424 + 1135TIP3 OH240367 1.427 4.080 0.915 + 1135TIP3 H140368 1.436 4.043 1.005 + 1135TIP3 H240369 1.352 4.030 0.878 + 1135TIP3 OH240370 2.115 4.049 1.120 + 1135TIP3 H140371 2.081 4.028 1.031 + 1135TIP3 H240372 2.209 4.028 1.110 + 1135TIP3 OH240373 3.120 3.798 -0.230 + 1135TIP3 H140374 3.067 3.777 -0.310 + 1135TIP3 H240375 3.134 3.893 -0.247 + 1135TIP3 OH240376 2.668 4.181 0.546 + 1135TIP3 H140377 2.577 4.182 0.513 + 1135TIP3 H240378 2.716 4.134 0.475 + 1135TIP3 OH240379 1.523 4.095 -0.429 + 1135TIP3 H140380 1.582 4.155 -0.381 + 1135TIP3 H240381 1.438 4.112 -0.383 + 1135TIP3 OH240382 1.549 3.565 0.882 + 1135TIP3 H140383 1.459 3.590 0.856 + 1135TIP3 H240384 1.535 3.477 0.923 + 1135TIP3 OH240385 1.699 -4.387 -0.244 + 1135TIP3 H140386 1.609 -4.352 -0.229 + 1135TIP3 H240387 1.746 -4.306 -0.268 + 1136TIP3 OH240388 2.447 3.549 0.736 + 1136TIP3 H140389 2.508 3.576 0.805 + 1136TIP3 H240390 2.398 3.475 0.777 + 1136TIP3 OH240391 2.509 3.493 -0.138 + 1136TIP3 H140392 2.528 3.544 -0.218 + 1136TIP3 H240393 2.557 3.543 -0.070 + 1136TIP3 OH240394 2.253 3.692 -0.044 + 1136TIP3 H140395 2.329 3.751 -0.029 + 1136TIP3 H240396 2.223 3.676 0.048 + 1136TIP3 OH240397 2.292 3.791 0.874 + 1136TIP3 H140398 2.296 3.840 0.957 + 1136TIP3 H240399 2.340 3.711 0.896 + 1136TIP3 OH240400 2.310 3.393 0.051 + 1136TIP3 H140401 2.289 3.463 0.115 + 1136TIP3 H240402 2.383 3.434 0.000 + 1136TIP3 OH240403 1.883 3.494 -0.297 + 1136TIP3 H140404 1.886 3.571 -0.237 + 1136TIP3 H240405 1.965 3.447 -0.270 + 1136TIP3 OH240406 2.917 3.584 0.961 + 1136TIP3 H140407 2.821 3.597 0.946 + 1136TIP3 H240408 2.942 3.562 0.870 + 1136TIP3 OH240409 2.769 3.967 0.356 + 1136TIP3 H140410 2.685 3.923 0.337 + 1136TIP3 H240411 2.816 3.899 0.409 + 1136TIP3 OH240412 1.536 3.800 -0.475 + 1136TIP3 H140413 1.551 3.895 -0.459 + 1136TIP3 H240414 1.452 3.801 -0.522 + 1136TIP3 OH240415 1.633 3.303 0.400 + 1136TIP3 H140416 1.613 3.302 0.304 + 1136TIP3 H240417 1.595 3.218 0.430 + 1137TIP3 OH240418 1.479 4.307 1.206 + 1137TIP3 H140419 1.458 4.212 1.210 + 1137TIP3 H240420 1.398 4.350 1.179 + 1137TIP3 OH240421 2.070 4.329 1.160 + 1137TIP3 H140422 2.071 4.346 1.063 + 1137TIP3 H240423 2.105 4.237 1.163 + 1137TIP3 OH240424 2.672 -4.376 0.934 + 1137TIP3 H140425 2.751 -4.332 0.899 + 1137TIP3 H240426 2.603 -4.311 0.913 + 1137TIP3 OH240427 1.537 4.024 1.178 + 1137TIP3 H140428 1.615 3.966 1.171 + 1137TIP3 H240429 1.539 4.045 1.273 + 1137TIP3 OH240430 1.995 4.161 -0.314 + 1137TIP3 H140431 1.930 4.119 -0.257 + 1137TIP3 H240432 2.010 4.092 -0.382 + 1137TIP3 OH240433 1.911 3.933 0.918 + 1137TIP3 H140434 1.853 4.010 0.935 + 1137TIP3 H240435 1.973 3.970 0.853 + 1137TIP3 OH240436 2.078 3.957 -0.487 + 1137TIP3 H140437 2.076 3.971 -0.584 + 1137TIP3 H240438 2.174 3.956 -0.470 + 1137TIP3 OH240439 2.440 4.216 1.273 + 1137TIP3 H140440 2.526 4.194 1.236 + 1137TIP3 H240441 2.404 4.130 1.297 + 1137TIP3 OH240442 3.007 4.189 -0.565 + 1137TIP3 H140443 3.003 4.181 -0.661 + 1137TIP3 H240444 3.012 4.285 -0.549 + 1137TIP3 OH240445 1.967 3.664 1.029 + 1137TIP3 H140446 1.973 3.598 0.958 + 1137TIP3 H240447 1.946 3.745 0.980 + 1138TIP3 OH240448 2.000 3.509 0.773 + 1138TIP3 H140449 2.052 3.563 0.711 + 1138TIP3 H240450 1.909 3.515 0.738 + 1138TIP3 OH240451 2.150 4.066 0.805 + 1138TIP3 H140452 2.234 4.055 0.758 + 1138TIP3 H240453 2.115 4.148 0.765 + 1138TIP3 OH240454 2.614 3.849 1.293 + 1138TIP3 H140455 2.634 3.755 1.305 + 1138TIP3 H240456 2.703 3.887 1.287 + 1138TIP3 OH240457 2.709 4.137 1.129 + 1138TIP3 H140458 2.685 4.208 1.065 + 1138TIP3 H240459 2.800 4.118 1.099 + 1138TIP3 OH240460 1.781 3.851 1.208 + 1138TIP3 H140461 1.731 3.767 1.208 + 1138TIP3 H240462 1.864 3.825 1.165 + 1138TIP3 OH240463 2.072 3.243 0.809 + 1138TIP3 H140464 2.056 3.338 0.793 + 1138TIP3 H240465 2.000 3.203 0.756 + 1138TIP3 OH240466 2.200 3.701 1.188 + 1138TIP3 H140467 2.164 3.681 1.276 + 1138TIP3 H240468 2.120 3.682 1.134 + 1138TIP3 OH240469 2.451 3.607 1.075 + 1138TIP3 H140470 2.363 3.612 1.117 + 1138TIP3 H240471 2.497 3.543 1.133 + 1138TIP3 OH240472 2.639 3.454 1.248 + 1138TIP3 H140473 2.621 3.359 1.263 + 1138TIP3 H240474 2.618 3.494 1.334 + 1138TIP3 OH240475 1.654 3.594 1.193 + 1138TIP3 H140476 1.646 3.524 1.126 + 1138TIP3 H240477 1.631 3.546 1.275 + 1139TIP3 OH240478 2.056 3.192 1.091 + 1139TIP3 H140479 2.115 3.115 1.097 + 1139TIP3 H240480 2.054 3.207 0.995 + 1139TIP3 OH240481 2.150 3.379 1.277 + 1139TIP3 H140482 2.119 3.319 1.205 + 1139TIP3 H240483 2.082 3.447 1.279 + 1139TIP3 OH240484 3.089 4.361 -0.127 + 1139TIP3 H140485 3.184 4.362 -0.141 + 1139TIP3 H240486 3.073 4.279 -0.079 + 1139TIP3 OH240487 3.125 4.134 0.039 + 1139TIP3 H140488 3.049 4.088 0.079 + 1139TIP3 H240489 3.184 4.150 0.115 + 1139TIP3 OH240490 3.139 4.091 -0.305 + 1139TIP3 H140491 3.080 4.115 -0.379 + 1139TIP3 H240492 3.130 4.168 -0.248 + 1139TIP3 OH240493 2.970 3.844 -0.476 + 1139TIP3 H140494 2.992 3.906 -0.547 + 1139TIP3 H240495 2.947 3.762 -0.524 + 1139TIP3 OH240496 2.899 3.966 0.113 + 1139TIP3 H140497 2.898 3.870 0.099 + 1139TIP3 H240498 2.864 3.973 0.204 + 1139TIP3 OH240499 1.386 4.188 0.511 + 1139TIP3 H140500 1.396 4.203 0.416 + 1139TIP3 H240501 1.477 4.160 0.536 + 1139TIP3 OH240502 2.985 4.161 1.036 + 1139TIP3 H140503 3.058 4.101 1.062 + 1139TIP3 H240504 3.029 4.244 1.010 + 1139TIP3 OH240505 3.128 3.965 1.151 + 1139TIP3 H140506 3.047 3.913 1.133 + 1139TIP3 H240507 3.196 3.895 1.155 + 1140TIP3 OH240508 2.915 3.580 -0.554 + 1140TIP3 H140509 2.976 3.529 -0.498 + 1140TIP3 H240510 2.837 3.523 -0.562 + 1140TIP3 OH240511 2.898 3.706 -0.060 + 1140TIP3 H140512 2.923 3.611 -0.055 + 1140TIP3 H240513 2.978 3.743 -0.101 + 1140TIP3 OH240514 2.920 3.766 0.482 + 1140TIP3 H140515 3.017 3.779 0.480 + 1140TIP3 H240516 2.905 3.771 0.578 + 1140TIP3 OH240517 2.938 3.837 0.766 + 1140TIP3 H140518 2.851 3.875 0.789 + 1140TIP3 H240519 2.988 3.918 0.741 + 1140TIP3 OH240520 1.385 3.716 1.133 + 1140TIP3 H140521 1.478 3.690 1.135 + 1140TIP3 H240522 1.341 3.629 1.139 + 1140TIP3 OH240523 3.194 3.253 1.294 + 1140TIP3 H140524 3.234 3.184 1.239 + 1140TIP3 H240525 3.196 3.330 1.234 + 1140TIP3 OH240526 2.944 3.427 -0.064 + 1140TIP3 H140527 2.957 3.395 0.027 + 1140TIP3 H240528 2.864 3.378 -0.091 + 1140TIP3 OH240529 1.463 3.547 0.412 + 1140TIP3 H140530 1.509 3.462 0.420 + 1140TIP3 H240531 1.531 3.608 0.446 + 1140TIP3 OH240532 1.317 3.815 0.518 + 1140TIP3 H140533 1.377 3.812 0.441 + 1140TIP3 H240534 1.350 3.893 0.564 + 1140TIP3 OH240535 3.131 3.458 1.118 + 1140TIP3 H140536 3.043 3.500 1.122 + 1140TIP3 H240537 3.119 3.403 1.039 + 1141TIP3 OH240538 3.142 3.475 -0.396 + 1141TIP3 H140539 3.173 3.396 -0.443 + 1141TIP3 H240540 3.223 3.530 -0.393 + 1141TIP3 OH240541 1.367 3.448 -0.079 + 1141TIP3 H140542 1.272 3.453 -0.099 + 1141TIP3 H240543 1.407 3.509 -0.144 + 1141TIP3 OH240544 1.371 3.337 0.737 + 1141TIP3 H140545 1.301 3.309 0.797 + 1141TIP3 H240546 1.321 3.389 0.671 + 1141TIP3 OH240547 3.017 3.280 0.916 + 1141TIP3 H140548 2.937 3.301 0.865 + 1141TIP3 H240549 3.039 3.191 0.883 + 1141TIP3 OH240550 2.360 3.428 0.365 + 1141TIP3 H140551 2.290 3.361 0.375 + 1141TIP3 H240552 2.420 3.384 0.302 + 1141TIP3 OH240553 2.855 3.232 0.409 + 1141TIP3 H140554 2.931 3.276 0.368 + 1141TIP3 H240555 2.781 3.263 0.353 + 1141TIP3 OH240556 3.062 3.342 0.195 + 1141TIP3 H140557 3.134 3.300 0.144 + 1141TIP3 H240558 3.095 3.434 0.204 + 1141TIP3 OH240559 1.594 3.302 0.119 + 1141TIP3 H140560 1.508 3.290 0.074 + 1141TIP3 H240561 1.635 3.215 0.103 + 1141TIP3 OH240562 1.477 3.250 -0.294 + 1141TIP3 H140563 1.528 3.316 -0.345 + 1141TIP3 H240564 1.436 3.305 -0.225 + 1141TIP3 OH240565 2.043 3.272 0.102 + 1141TIP3 H140566 2.131 3.310 0.090 + 1141TIP3 H240567 2.038 3.268 0.198 + 1142TIP3 OH240568 2.601 3.288 0.246 + 1142TIP3 H140569 2.629 3.274 0.154 + 1142TIP3 H240570 2.564 3.202 0.270 + 1142TIP3 OH240571 2.712 3.288 -0.152 + 1142TIP3 H140572 2.630 3.339 -0.169 + 1142TIP3 H240573 2.677 3.197 -0.145 + 1142TIP3 OH240574 1.647 3.432 -0.450 + 1142TIP3 H140575 1.708 3.376 -0.502 + 1142TIP3 H240576 1.707 3.465 -0.381 + 1142TIP3 OH240577 2.156 3.450 -0.188 + 1142TIP3 H140578 2.194 3.394 -0.118 + 1142TIP3 H240579 2.177 3.538 -0.153 + 1142TIP3 OH240580 1.575 3.324 1.071 + 1142TIP3 H140581 1.535 3.243 1.106 + 1142TIP3 H240582 1.667 3.312 1.098 + 1142TIP3 OH240583 1.813 3.263 1.244 + 1142TIP3 H140584 1.895 3.228 1.204 + 1142TIP3 H240585 1.778 3.184 1.288 + 1142TIP3 OH240586 2.626 3.174 1.261 + 1142TIP3 H140587 2.629 3.133 1.349 + 1142TIP3 H240588 2.720 3.171 1.235 + 1142TIP3 OH240589 4.199 4.097 0.478 + 1142TIP3 H140590 4.280 4.132 0.518 + 1142TIP3 H240591 4.225 4.086 0.386 + 1142TIP3 OH240592 3.507 4.083 0.615 + 1142TIP3 H140593 3.507 4.007 0.677 + 1142TIP3 H240594 3.584 4.132 0.647 + 1142TIP3 OH240595 3.277 3.885 0.010 + 1142TIP3 H140596 3.234 3.972 0.012 + 1142TIP3 H240597 3.211 3.832 -0.036 + 1143TIP3 OH240598 3.374 4.136 0.195 + 1143TIP3 H140599 3.372 4.054 0.249 + 1143TIP3 H240600 3.451 4.118 0.140 + 1143TIP3 OH240601 3.746 3.607 0.268 + 1143TIP3 H140602 3.758 3.692 0.221 + 1143TIP3 H240603 3.711 3.553 0.193 + 1143TIP3 OH240604 3.410 3.877 0.318 + 1143TIP3 H140605 3.474 3.830 0.373 + 1143TIP3 H240606 3.420 3.830 0.233 + 1143TIP3 OH240607 3.953 4.015 0.268 + 1143TIP3 H140608 4.026 3.959 0.301 + 1143TIP3 H240609 3.901 3.950 0.218 + 1143TIP3 OH240610 3.624 3.484 0.683 + 1143TIP3 H140611 3.584 3.533 0.610 + 1143TIP3 H240612 3.557 3.499 0.753 + 1143TIP3 OH240613 3.894 4.263 0.667 + 1143TIP3 H140614 3.814 4.318 0.666 + 1143TIP3 H240615 3.962 4.331 0.655 + 1143TIP3 OH240616 3.584 3.688 0.477 + 1143TIP3 H140617 3.649 3.746 0.522 + 1143TIP3 H240618 3.641 3.653 0.405 + 1143TIP3 OH240619 4.043 3.231 0.398 + 1143TIP3 H140620 4.015 3.138 0.395 + 1143TIP3 H240621 3.963 3.274 0.434 + 1143TIP3 OH240622 4.263 4.123 -0.137 + 1143TIP3 H140623 4.194 4.185 -0.166 + 1143TIP3 H240624 4.329 4.138 -0.204 + 1143TIP3 OH240625 4.274 3.931 -0.400 + 1143TIP3 H140626 4.359 3.973 -0.384 + 1143TIP3 H240627 4.272 3.913 -0.494 + 1144TIP3 OH240628 3.755 4.203 0.161 + 1144TIP3 H140629 3.737 4.177 0.069 + 1144TIP3 H240630 3.837 4.153 0.180 + 1144TIP3 OH240631 3.810 4.069 0.501 + 1144TIP3 H140632 3.872 4.069 0.424 + 1144TIP3 H240633 3.847 4.141 0.557 + 1144TIP3 OH240634 3.599 4.145 0.888 + 1144TIP3 H140635 3.610 4.210 0.962 + 1144TIP3 H240636 3.502 4.139 0.885 + 1144TIP3 OH240637 3.643 4.092 -0.086 + 1144TIP3 H140638 3.635 4.166 -0.150 + 1144TIP3 H240639 3.596 4.022 -0.131 + 1144TIP3 OH240640 3.244 4.309 0.789 + 1144TIP3 H140641 3.244 4.292 0.694 + 1144TIP3 H240642 3.276 4.224 0.825 + 1144TIP3 OH240643 3.797 3.347 0.482 + 1144TIP3 H140644 3.716 3.340 0.429 + 1144TIP3 H240645 3.774 3.422 0.539 + 1144TIP3 OH240646 4.233 3.283 0.909 + 1144TIP3 H140647 4.244 3.211 0.971 + 1144TIP3 H240648 4.141 3.267 0.877 + 1144TIP3 OH240649 4.240 3.555 -0.418 + 1144TIP3 H140650 4.168 3.553 -0.353 + 1144TIP3 H240651 4.202 3.496 -0.486 + 1144TIP3 OH240652 3.781 3.825 0.627 + 1144TIP3 H140653 3.716 3.839 0.698 + 1144TIP3 H240654 3.789 3.915 0.588 + 1144TIP3 OH240655 3.776 3.832 0.108 + 1144TIP3 H140656 3.680 3.826 0.093 + 1144TIP3 H240657 3.808 3.822 0.016 + 1145TIP3 OH240658 4.282 3.870 0.030 + 1145TIP3 H140659 4.260 3.962 0.006 + 1145TIP3 H240660 4.315 3.835 -0.052 + 1145TIP3 OH240661 4.256 3.923 1.177 + 1145TIP3 H140662 4.196 3.845 1.169 + 1145TIP3 H240663 4.340 3.879 1.155 + 1145TIP3 OH240664 3.522 3.841 0.803 + 1145TIP3 H140665 3.538 3.879 0.890 + 1145TIP3 H240666 3.484 3.754 0.826 + 1145TIP3 OH240667 3.869 3.573 -0.540 + 1145TIP3 H140668 3.816 3.555 -0.460 + 1145TIP3 H240669 3.812 3.638 -0.585 + 1145TIP3 OH240670 3.198 3.588 0.173 + 1145TIP3 H140671 3.261 3.588 0.247 + 1145TIP3 H240672 3.249 3.554 0.098 + 1145TIP3 OH240673 3.363 3.635 -0.250 + 1145TIP3 H140674 3.411 3.677 -0.325 + 1145TIP3 H240675 3.290 3.698 -0.241 + 1145TIP3 OH240676 4.351 3.969 0.749 + 1145TIP3 H140677 4.380 3.904 0.682 + 1145TIP3 H240678 4.270 3.925 0.781 + 1145TIP3 OH240679 4.049 3.576 0.219 + 1145TIP3 H140680 3.954 3.585 0.239 + 1145TIP3 H240681 4.088 3.589 0.307 + 1145TIP3 OH240682 3.505 3.715 0.084 + 1145TIP3 H140683 3.428 3.744 0.033 + 1145TIP3 H240684 3.538 3.638 0.034 + 1145TIP3 OH240685 3.861 3.762 -0.168 + 1145TIP3 H140686 3.957 3.772 -0.162 + 1145TIP3 H240687 3.838 3.817 -0.246 + 1146TIP3 OH240688 3.610 4.317 1.094 + 1146TIP3 H140689 3.666 4.365 1.157 + 1146TIP3 H240690 3.529 4.304 1.148 + 1146TIP3 OH240691 4.144 3.824 0.356 + 1146TIP3 H140692 4.217 3.782 0.309 + 1146TIP3 H240693 4.165 3.803 0.449 + 1146TIP3 OH240694 3.685 3.489 0.020 + 1146TIP3 H140695 3.627 3.412 0.027 + 1146TIP3 H240696 3.757 3.455 -0.035 + 1146TIP3 OH240697 4.050 3.685 0.623 + 1146TIP3 H140698 3.979 3.749 0.611 + 1146TIP3 H240699 4.102 3.725 0.694 + 1146TIP3 OH240700 4.076 4.349 -0.169 + 1146TIP3 H140701 4.010 4.299 -0.223 + 1146TIP3 H240702 4.053 4.323 -0.079 + 1146TIP3 OH240703 3.609 4.251 0.383 + 1146TIP3 H140704 3.666 4.241 0.303 + 1146TIP3 H240705 3.617 4.164 0.423 + 1146TIP3 OH240706 3.312 4.079 0.915 + 1146TIP3 H140707 3.319 4.042 1.005 + 1146TIP3 H240708 3.237 4.031 0.877 + 1146TIP3 OH240709 4.001 4.047 1.124 + 1146TIP3 H140710 3.966 4.023 1.037 + 1146TIP3 H240711 4.096 4.035 1.112 + 1146TIP3 OH240712 3.396 4.106 -0.439 + 1146TIP3 H140713 3.472 4.137 -0.386 + 1146TIP3 H240714 3.322 4.119 -0.378 + 1146TIP3 OH240715 3.435 3.566 0.884 + 1146TIP3 H140716 3.344 3.590 0.855 + 1146TIP3 H240717 3.420 3.477 0.921 + 1147TIP3 OH240718 3.589 -4.383 -0.242 + 1147TIP3 H140719 3.496 -4.355 -0.231 + 1147TIP3 H240720 3.629 -4.300 -0.271 + 1147TIP3 OH240721 4.334 3.592 0.793 + 1147TIP3 H140722 4.384 3.514 0.818 + 1147TIP3 H240723 4.275 3.555 0.725 + 1147TIP3 OH240724 4.119 3.667 -0.043 + 1147TIP3 H140725 4.179 3.740 -0.017 + 1147TIP3 H240726 4.082 3.648 0.045 + 1147TIP3 OH240727 4.167 3.788 0.874 + 1147TIP3 H140728 4.188 3.833 0.956 + 1147TIP3 H240729 4.233 3.716 0.871 + 1147TIP3 OH240730 4.196 3.388 0.078 + 1147TIP3 H140731 4.166 3.469 0.126 + 1147TIP3 H240732 4.270 3.423 0.025 + 1147TIP3 OH240733 3.763 3.493 -0.291 + 1147TIP3 H140734 3.769 3.579 -0.244 + 1147TIP3 H240735 3.850 3.453 -0.274 + 1147TIP3 OH240736 3.389 3.784 -0.478 + 1147TIP3 H140737 3.453 3.858 -0.475 + 1147TIP3 H240738 3.308 3.827 -0.507 + 1147TIP3 OH240739 3.516 3.304 0.401 + 1147TIP3 H140740 3.499 3.303 0.304 + 1147TIP3 H240741 3.482 3.218 0.430 + 1147TIP3 OH240742 3.366 4.306 1.206 + 1147TIP3 H140743 3.344 4.211 1.208 + 1147TIP3 H240744 3.285 4.350 1.180 + 1147TIP3 OH240745 3.957 4.332 1.162 + 1147TIP3 H140746 3.955 4.347 1.065 + 1147TIP3 H240747 3.996 4.242 1.167 + 1148TIP3 OH240748 3.423 4.024 1.178 + 1148TIP3 H140749 3.500 3.966 1.171 + 1148TIP3 H240750 3.424 4.045 1.273 + 1148TIP3 OH240751 3.903 4.162 -0.299 + 1148TIP3 H140752 3.827 4.123 -0.254 + 1148TIP3 H240753 3.897 4.110 -0.381 + 1148TIP3 OH240754 3.800 3.937 0.923 + 1148TIP3 H140755 3.739 4.012 0.934 + 1148TIP3 H240756 3.853 3.967 0.848 + 1148TIP3 OH240757 4.280 4.196 1.281 + 1148TIP3 H140758 4.346 4.175 1.215 + 1148TIP3 H240759 4.251 4.108 1.306 + 1148TIP3 OH240760 3.858 3.664 1.032 + 1148TIP3 H140761 3.862 3.599 0.959 + 1148TIP3 H240762 3.839 3.746 0.983 + 1148TIP3 OH240763 3.887 3.510 0.773 + 1148TIP3 H140764 3.936 3.567 0.710 + 1148TIP3 H240765 3.795 3.513 0.738 + 1148TIP3 OH240766 4.060 4.064 0.799 + 1148TIP3 H140767 4.131 4.059 0.733 + 1148TIP3 H240768 4.014 4.144 0.771 + 1148TIP3 OH240769 3.669 3.849 1.211 + 1148TIP3 H140770 3.618 3.766 1.207 + 1148TIP3 H240771 3.750 3.825 1.164 + 1148TIP3 OH240772 3.971 3.248 0.811 + 1148TIP3 H140773 3.947 3.341 0.792 + 1148TIP3 H240774 3.906 3.201 0.755 + 1148TIP3 OH240775 4.104 3.692 1.183 + 1148TIP3 H140776 4.065 3.672 1.269 + 1148TIP3 H240777 4.029 3.671 1.124 + 1149TIP3 OH240778 3.540 3.594 1.192 + 1149TIP3 H140779 3.531 3.525 1.125 + 1149TIP3 H240780 3.516 3.546 1.274 + 1149TIP3 OH240781 3.945 3.194 1.092 + 1149TIP3 H140782 4.005 3.118 1.096 + 1149TIP3 H240783 3.941 3.210 0.996 + 1149TIP3 OH240784 4.035 3.373 1.288 + 1149TIP3 H140785 4.008 3.319 1.211 + 1149TIP3 H240786 3.973 3.448 1.282 + 1149TIP3 OH240787 3.272 4.188 0.511 + 1149TIP3 H140788 3.281 4.202 0.416 + 1149TIP3 H240789 3.362 4.160 0.536 + 1149TIP3 OH240790 3.271 3.716 1.136 + 1149TIP3 H140791 3.364 3.689 1.133 + 1149TIP3 H240792 3.226 3.630 1.139 + 1149TIP3 OH240793 3.348 3.547 0.414 + 1149TIP3 H140794 3.395 3.462 0.419 + 1149TIP3 H240795 3.418 3.607 0.446 + 1149TIP3 OH240796 3.203 3.815 0.519 + 1149TIP3 H140797 3.261 3.811 0.442 + 1149TIP3 H240798 3.236 3.894 0.563 + 1149TIP3 OH240799 3.253 3.448 -0.078 + 1149TIP3 H140800 3.158 3.454 -0.100 + 1149TIP3 H240801 3.294 3.509 -0.142 + 1149TIP3 OH240802 3.257 3.338 0.738 + 1149TIP3 H140803 3.185 3.310 0.796 + 1149TIP3 H240804 3.208 3.389 0.671 + 1149TIP3 OH240805 4.268 3.393 0.367 + 1149TIP3 H140806 4.182 3.348 0.378 + 1149TIP3 H240807 4.293 3.363 0.280 + 1150TIP3 OH240808 3.479 3.300 0.121 + 1150TIP3 H140809 3.394 3.289 0.074 + 1150TIP3 H240810 3.522 3.214 0.103 + 1150TIP3 OH240811 3.365 3.249 -0.293 + 1150TIP3 H140812 3.415 3.314 -0.347 + 1150TIP3 H240813 3.322 3.306 -0.228 + 1150TIP3 OH240814 3.935 3.281 0.107 + 1150TIP3 H140815 4.027 3.313 0.100 + 1150TIP3 H240816 3.927 3.273 0.203 + 1150TIP3 OH240817 3.528 3.428 -0.448 + 1150TIP3 H140818 3.591 3.385 -0.509 + 1150TIP3 H240819 3.589 3.469 -0.384 + 1150TIP3 OH240820 4.067 3.447 -0.194 + 1150TIP3 H140821 4.062 3.388 -0.118 + 1150TIP3 H240822 4.063 3.534 -0.151 + 1150TIP3 OH240823 3.460 3.325 1.072 + 1150TIP3 H140824 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1155TIP3 H140977 -3.372 -2.838 2.872 + 1155TIP3 H240978 -3.469 -2.949 2.838 + 1155TIP3 OH240979 -3.352 -2.537 1.814 + 1155TIP3 H140980 -3.348 -2.530 1.717 + 1155TIP3 H240981 -3.342 -2.446 1.844 + 1155TIP3 OH240982 -3.978 -2.624 1.978 + 1155TIP3 H140983 -3.954 -2.666 2.063 + 1155TIP3 H240984 -4.055 -2.678 1.955 + 1155TIP3 OH240985 -3.019 -2.595 1.533 + 1155TIP3 H140986 -2.961 -2.660 1.488 + 1155TIP3 H240987 -3.023 -2.635 1.623 + 1156TIP3 OH240988 -3.080 -2.653 1.814 + 1156TIP3 H140989 -3.176 -2.641 1.827 + 1156TIP3 H240990 -3.063 -2.726 1.876 + 1156TIP3 OH240991 -2.764 -3.708 2.977 + 1156TIP3 H140992 -2.813 -3.669 2.904 + 1156TIP3 H240993 -2.756 -3.801 2.948 + 1156TIP3 OH240994 -4.072 -3.040 2.796 + 1156TIP3 H140995 -4.042 -3.099 2.867 + 1156TIP3 H240996 -4.147 -3.090 2.756 + 1156TIP3 OH240997 -3.753 -4.221 2.383 + 1156TIP3 H140998 -3.839 -4.230 2.341 + 1156TIP3 H240999 -3.764 -4.135 2.427 + 1156TIP3 OH241000 -3.290 -4.261 2.741 + 1156TIP3 H141001 -3.271 -4.310 2.822 + 1156TIP3 H241002 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2.692 + 1157TIP3 H141028 -3.996 -3.664 2.778 + 1157TIP3 H241029 -4.052 -3.789 2.715 + 1157TIP3 OH241030 -3.689 -3.940 1.351 + 1157TIP3 H141031 -3.724 -3.979 1.434 + 1157TIP3 H241032 -3.769 -3.927 1.298 + 1157TIP3 OH241033 -4.325 -3.942 2.057 + 1157TIP3 H141034 -4.305 -3.969 2.149 + 1157TIP3 H241035 -4.288 -4.014 2.005 + 1157TIP3 OH241036 -4.214 -3.882 1.645 + 1157TIP3 H141037 -4.152 -3.861 1.572 + 1157TIP3 H241038 -4.298 -3.863 1.602 + 1157TIP3 OH241039 -3.211 -3.543 2.599 + 1157TIP3 H141040 -3.168 -3.616 2.548 + 1157TIP3 H241041 -3.244 -3.591 2.676 + 1157TIP3 OH241042 -3.490 -3.940 2.098 + 1157TIP3 H141043 -3.583 -3.960 2.117 + 1157TIP3 H241044 -3.446 -3.972 2.178 + 1157TIP3 OH241045 -4.038 -3.824 1.965 + 1157TIP3 H141046 -4.122 -3.819 1.917 + 1157TIP3 H241047 -4.000 -3.907 1.929 + 1158TIP3 OH241048 -3.672 -3.791 1.737 + 1158TIP3 H141049 -3.575 -3.785 1.741 + 1158TIP3 H241050 -3.696 -3.731 1.665 + 1158TIP3 OH241051 -3.056 -4.033 2.402 + 1158TIP3 H141052 -3.120 -4.035 2.476 + 1158TIP3 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1159TIP3 H241104 -2.524 -3.650 1.639 + 1159TIP3 OH241105 -2.489 -3.140 2.933 + 1159TIP3 H141106 -2.583 -3.119 2.914 + 1159TIP3 H241107 -2.456 -3.158 2.843 + 1160TIP3 OH241108 -2.715 -2.884 1.663 + 1160TIP3 H141109 -2.734 -2.963 1.715 + 1160TIP3 H241110 -2.661 -2.918 1.590 + 1160TIP3 OH241111 -2.990 -3.350 2.401 + 1160TIP3 H141112 -3.083 -3.366 2.376 + 1160TIP3 H241113 -2.946 -3.422 2.352 + 1160TIP3 OH241114 -3.727 -2.941 2.007 + 1160TIP3 H141115 -3.685 -2.855 1.992 + 1160TIP3 H241116 -3.819 -2.924 1.980 + 1160TIP3 OH241117 -4.155 -3.447 1.475 + 1160TIP3 H141118 -4.081 -3.395 1.514 + 1160TIP3 H241119 -4.228 -3.387 1.492 + 1160TIP3 OH241120 -3.543 -3.173 1.968 + 1160TIP3 H141121 -3.573 -3.082 1.982 + 1160TIP3 H241122 -3.614 -3.223 2.009 + 1160TIP3 OH241123 -3.526 -2.746 2.603 + 1160TIP3 H141124 -3.470 -2.673 2.572 + 1160TIP3 H241125 -3.463 -2.798 2.655 + 1160TIP3 OH241126 -3.681 -2.652 1.927 + 1160TIP3 H141127 -3.777 -2.638 1.933 + 1160TIP3 H241128 -3.646 -2.564 1.949 + 1160TIP3 OH241129 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1.642 + 1161TIP3 H241155 -3.647 -2.894 1.613 + 1161TIP3 OH241156 -3.987 -3.244 1.612 + 1161TIP3 H141157 -4.057 -3.203 1.670 + 1161TIP3 H241158 -3.937 -3.164 1.590 + 1161TIP3 OH241159 -3.217 -4.006 2.632 + 1161TIP3 H141160 -3.151 -3.981 2.698 + 1161TIP3 H241161 -3.251 -4.091 2.665 + 1161TIP3 OH241162 -3.139 -4.056 1.745 + 1161TIP3 H141163 -3.128 -3.998 1.668 + 1161TIP3 H241164 -3.099 -4.002 1.816 + 1161TIP3 OH241165 -3.365 -2.821 1.643 + 1161TIP3 H141166 -3.447 -2.773 1.659 + 1161TIP3 H241167 -3.329 -2.776 1.565 + 1162TIP3 OH241168 -3.403 -3.851 1.844 + 1162TIP3 H141169 -3.329 -3.789 1.858 + 1162TIP3 H241170 -3.432 -3.867 1.937 + 1162TIP3 OH241171 -3.370 -3.761 2.757 + 1162TIP3 H141172 -3.360 -3.710 2.839 + 1162TIP3 H241173 -3.313 -3.837 2.773 + 1162TIP3 OH241174 -3.331 -4.174 1.943 + 1162TIP3 H141175 -3.364 -4.099 1.996 + 1162TIP3 H241176 -3.275 -4.128 1.878 + 1162TIP3 OH241177 -3.645 -2.715 1.642 + 1162TIP3 H141178 -3.652 -2.634 1.588 + 1162TIP3 H241179 -3.657 -2.680 1.732 + 1162TIP3 OH241180 -3.776 -4.050 1.597 + 1162TIP3 H141181 -3.771 -3.967 1.647 + 1162TIP3 H241182 -3.688 -4.087 1.618 + 1162TIP3 OH241183 -2.731 -3.963 2.839 + 1162TIP3 H141184 -2.828 -3.952 2.829 + 1162TIP3 H241185 -2.710 -3.989 2.748 + 1162TIP3 OH241186 -2.890 -3.573 2.250 + 1162TIP3 H141187 -2.971 -3.619 2.221 + 1162TIP3 H241188 -2.841 -3.645 2.295 + 1162TIP3 OH241189 -3.931 -2.957 1.495 + 1162TIP3 H141190 -3.854 -2.915 1.537 + 1162TIP3 H241191 -3.886 -3.014 1.431 + 1162TIP3 OH241192 -4.118 -3.749 1.415 + 1162TIP3 H141193 -4.106 -3.654 1.430 + 1162TIP3 H241194 -4.191 -3.753 1.353 + 1162TIP3 OH241195 -2.789 -2.688 2.389 + 1162TIP3 H141196 -2.805 -2.607 2.336 + 1162TIP3 H241197 -2.695 -2.675 2.412 + 1163TIP3 OH241198 -4.075 -4.237 2.307 + 1163TIP3 H141199 -4.060 -4.257 2.214 + 1163TIP3 H241200 -4.112 -4.321 2.338 + 1163TIP3 OH241201 -4.134 -2.876 1.914 + 1163TIP3 H141202 -4.227 -2.848 1.918 + 1163TIP3 H241203 -4.106 -2.841 1.829 + 1163TIP3 OH241204 -4.214 -2.604 3.032 + 1163TIP3 H141205 -4.152 -2.605 3.107 + 1163TIP3 H241206 -4.218 -2.700 3.017 + 1163TIP3 OH241207 -3.689 -2.689 3.225 + 1163TIP3 H141208 -3.647 -2.777 3.224 + 1163TIP3 H241209 -3.740 -2.694 3.143 + 1163TIP3 OH241210 -3.323 -2.767 1.360 + 1163TIP3 H141211 -3.397 -2.829 1.348 + 1163TIP3 H241212 -3.250 -2.819 1.321 + 1163TIP3 OH241213 -3.090 -2.853 3.075 + 1163TIP3 H141214 -3.126 -2.938 3.106 + 1163TIP3 H241215 -3.013 -2.842 3.133 + 1163TIP3 OH241216 -2.861 -2.775 1.370 + 1163TIP3 H141217 -2.843 -2.856 1.419 + 1163TIP3 H241218 -2.783 -2.769 1.311 + 1163TIP3 OH241219 -4.198 -3.201 3.093 + 1163TIP3 H141220 -4.191 -3.290 3.058 + 1163TIP3 H241221 -4.286 -3.174 3.063 + 1163TIP3 OH241222 -3.781 -3.194 1.342 + 1163TIP3 H141223 -3.761 -3.252 1.418 + 1163TIP3 H241224 -3.695 -3.196 1.295 + 1163TIP3 OH241225 -3.542 -3.215 3.076 + 1163TIP3 H141226 -3.569 -3.183 2.988 + 1163TIP3 H241227 -3.530 -3.311 3.060 + 1164TIP3 OH241228 -3.259 -3.061 1.304 + 1164TIP3 H141229 -3.260 -3.065 1.401 + 1164TIP3 H241230 -3.261 -3.157 1.282 + 1164TIP3 OH241231 -3.001 -3.254 2.814 + 1164TIP3 H141232 -2.922 -3.201 2.793 + 1164TIP3 H241233 -3.071 -3.186 2.810 + 1164TIP3 OH241234 -4.135 -3.530 3.073 + 1164TIP3 H141235 -4.054 -3.584 3.062 + 1164TIP3 H241236 -4.124 -3.500 3.165 + 1164TIP3 OH241237 -3.674 -3.384 1.575 + 1164TIP3 H141238 -3.734 -3.436 1.632 + 1164TIP3 H241239 -3.642 -3.452 1.513 + 1164TIP3 OH241240 -3.750 -3.608 2.802 + 1164TIP3 H141241 -3.805 -3.529 2.818 + 1164TIP3 H241242 -3.685 -3.574 2.739 + 1164TIP3 OH241243 -3.576 -3.583 1.401 + 1164TIP3 H141244 -3.579 -3.574 1.304 + 1164TIP3 H241245 -3.480 -3.588 1.418 + 1164TIP3 OH241246 -3.218 -3.336 3.159 + 1164TIP3 H141247 -3.129 -3.355 3.125 + 1164TIP3 H241248 -3.244 -3.422 3.194 + 1164TIP3 OH241249 -2.625 -3.333 1.331 + 1164TIP3 H141250 -2.638 -3.372 1.243 + 1164TIP3 H241251 -2.634 -3.238 1.309 + 1164TIP3 OH241252 -3.693 -3.881 2.912 + 1164TIP3 H141253 -3.683 -3.945 2.840 + 1164TIP3 H241254 -3.711 -3.798 2.863 + 1164TIP3 OH241255 -3.651 -4.037 2.654 + 1164TIP3 H141256 -3.600 -3.981 2.592 + 1164TIP3 H241257 -3.743 -4.027 2.621 + 1165TIP3 OH241258 -3.501 -3.487 2.701 + 1165TIP3 H141259 -3.418 -3.496 2.652 + 1165TIP3 H241260 -3.533 -3.400 2.669 + 1165TIP3 OH241261 -3.045 -3.693 3.178 + 1165TIP3 H141262 -3.024 -3.786 3.194 + 1165TIP3 H241263 -2.955 -3.655 3.173 + 1165TIP3 OH241264 -2.948 -3.415 3.027 + 1165TIP3 H141265 -2.981 -3.353 2.958 + 1165TIP3 H241266 -2.858 -3.431 2.992 + 1165TIP3 OH241267 -3.879 -3.691 3.091 + 1165TIP3 H141268 -3.928 -3.775 3.093 + 1165TIP3 H241269 -3.797 -3.718 3.048 + 1165TIP3 OH241270 -3.606 -4.277 2.776 + 1165TIP3 H141271 -3.592 -4.187 2.740 + 1165TIP3 H241272 -3.700 -4.288 2.754 + 1165TIP3 OH241273 -3.457 -3.842 3.072 + 1165TIP3 H141274 -3.488 -3.872 3.159 + 1165TIP3 H241275 -3.538 -3.863 3.019 + 1165TIP3 OH241276 -3.197 -3.943 2.971 + 1165TIP3 H141277 -3.287 -3.932 3.007 + 1165TIP3 H241278 -3.160 -4.010 3.032 + 1165TIP3 OH241279 -3.026 -4.136 3.138 + 1165TIP3 H141280 -3.039 -4.224 3.176 + 1165TIP3 H241281 -3.039 -4.077 3.214 + 1165TIP3 OH241282 -4.003 -3.953 3.079 + 1165TIP3 H141283 -4.024 -4.020 3.012 + 1165TIP3 H241284 -4.039 -3.993 3.160 + 1165TIP3 OH241285 -3.494 -4.145 3.181 + 1165TIP3 H141286 -3.515 -4.229 3.135 + 1165TIP3 H241287 -3.581 -4.102 3.186 + 1166TIP3 OH241288 -3.600 -2.458 1.512 + 1166TIP3 H141289 -3.504 -2.450 1.523 + 1166TIP3 H241290 -3.611 -2.416 1.425 + 1166TIP3 OH241291 -4.199 -2.970 1.419 + 1166TIP3 H141292 -4.121 -2.976 1.478 + 1166TIP3 H241293 -4.217 -3.063 1.398 + 1166TIP3 OH241294 -4.275 -2.690 2.133 + 1166TIP3 H141295 -4.276 -2.780 2.170 + 1166TIP3 H241296 -4.242 -2.641 2.210 + 1166TIP3 OH241297 -2.516 -2.570 2.438 + 1166TIP3 H141298 -2.498 -2.576 2.533 + 1166TIP3 H241299 -2.430 -2.543 2.403 + 1166TIP3 OH241300 -2.527 -2.627 2.726 + 1166TIP3 H141301 -2.577 -2.703 2.689 + 1166TIP3 H241302 -2.470 -2.674 2.789 + 1166TIP3 OH241303 -2.727 -3.082 3.153 + 1166TIP3 H141304 -2.814 -3.075 3.197 + 1166TIP3 H241305 -2.681 -3.003 3.186 + 1166TIP3 OH241306 -2.587 -3.194 1.728 + 1166TIP3 H141307 -2.496 -3.162 1.743 + 1166TIP3 H241308 -2.594 -3.259 1.801 + 1166TIP3 OH241309 -2.541 -3.397 1.925 + 1166TIP3 H141310 -2.607 -3.455 1.968 + 1166TIP3 H241311 -2.472 -3.387 1.994 + 1166TIP3 OH241312 -2.568 -3.149 2.423 + 1166TIP3 H141313 -2.506 -3.198 2.367 + 1166TIP3 H241314 -2.553 -3.057 2.393 + 1166TIP3 OH241315 -2.696 -2.856 2.647 + 1166TIP3 H141316 -2.769 -2.818 2.697 + 1166TIP3 H241317 -2.741 -2.893 2.569 + 1167TIP3 OH241318 -2.515 -3.454 1.584 + 1167TIP3 H141319 -2.566 -3.427 1.505 + 1167TIP3 H241320 -2.528 -3.378 1.642 + 1167TIP3 OH241321 -2.688 -3.698 1.410 + 1167TIP3 H141322 -2.660 -3.640 1.337 + 1167TIP3 H241323 -2.714 -3.779 1.363 + 1167TIP3 OH241324 -2.746 -3.584 2.007 + 1167TIP3 H141325 -2.753 -3.679 1.988 + 1167TIP3 H241326 -2.785 -3.577 2.097 + 1167TIP3 OH241327 -4.256 -3.334 2.404 + 1167TIP3 H141328 -4.225 -3.315 2.313 + 1167TIP3 H241329 -4.176 -3.376 2.442 + 1167TIP3 OH241330 -2.686 -3.392 2.922 + 1167TIP3 H141331 -2.613 -3.455 2.938 + 1167TIP3 H241332 -2.640 -3.310 2.902 + 1167TIP3 OH241333 -2.531 -3.584 3.044 + 1167TIP3 H141334 -2.610 -3.637 3.020 + 1167TIP3 H241335 -2.461 -3.651 3.041 + 1167TIP3 OH241336 -2.750 -3.963 1.334 + 1167TIP3 H141337 -2.685 -4.015 1.384 + 1167TIP3 H241338 -2.827 -4.021 1.336 + 1167TIP3 OH241339 -2.763 -3.827 1.827 + 1167TIP3 H141340 -2.746 -3.924 1.832 + 1167TIP3 H241341 -2.681 -3.798 1.784 + 1167TIP3 OH241342 -2.738 -3.773 2.365 + 1167TIP3 H141343 -2.640 -3.768 2.363 + 1167TIP3 H241344 -2.751 -3.776 2.461 + 1167TIP3 OH241345 -2.723 -3.706 2.652 + 1167TIP3 H141346 -2.807 -3.664 2.676 + 1167TIP3 H241347 -2.667 -3.629 2.628 + 1168TIP3 OH241348 -4.282 -3.839 3.029 + 1168TIP3 H141349 -4.200 -3.881 3.003 + 1168TIP3 H241350 -4.346 -3.912 3.030 + 1168TIP3 OH241351 -2.506 -4.277 3.228 + 1168TIP3 H141352 -2.458 -4.357 3.205 + 1168TIP3 H241353 -2.504 -4.218 3.149 + 1168TIP3 OH241354 -2.734 -4.098 1.835 + 1168TIP3 H141355 -2.707 -4.152 1.912 + 1168TIP3 H241356 -2.793 -4.160 1.789 + 1168TIP3 OH241357 -4.193 -3.989 2.318 + 1168TIP3 H141358 -4.160 -4.081 2.328 + 1168TIP3 H241359 -4.114 -3.938 2.342 + 1168TIP3 OH241360 -4.332 -3.727 2.413 + 1168TIP3 H141361 -4.293 -3.778 2.340 + 1168TIP3 H241362 -4.314 -3.636 2.383 + 1168TIP3 OH241363 -2.527 -4.111 3.012 + 1168TIP3 H141364 -2.613 -4.064 3.020 + 1168TIP3 H241365 -2.537 -4.147 2.922 + 1168TIP3 OH241366 -2.514 -4.072 1.490 + 1168TIP3 H141367 -2.491 -4.150 1.437 + 1168TIP3 H241368 -2.434 -4.019 1.487 + 1168TIP3 OH241369 -4.314 -4.108 1.768 + 1168TIP3 H141370 -4.397 -4.078 1.729 + 1168TIP3 H241371 -4.254 -4.037 1.735 + 1168TIP3 OH241372 -2.828 -2.566 2.019 + 1168TIP3 H141373 -2.783 -2.591 1.936 + 1168TIP3 H241374 -2.754 -2.530 2.070 + 1168TIP3 OH241375 -4.283 -4.167 2.602 + 1168TIP3 H141376 -4.348 -4.214 2.659 + 1168TIP3 H241377 -4.326 -4.166 2.516 + 1169TIP3 OH241378 -4.117 -2.862 3.069 + 1169TIP3 H141379 -4.166 -2.924 3.015 + 1169TIP3 H241380 -4.134 -2.897 3.159 + 1169TIP3 OH241381 -3.802 -2.795 2.662 + 1169TIP3 H141382 -3.834 -2.713 2.621 + 1169TIP3 H241383 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2.381 + 1170TIP3 H141409 -4.134 -2.662 2.466 + 1170TIP3 H241410 -4.050 -2.665 2.341 + 1170TIP3 OH241411 -3.911 -2.743 2.233 + 1170TIP3 H141412 -3.926 -2.836 2.258 + 1170TIP3 H241413 -3.819 -2.729 2.264 + 1170TIP3 OH241414 -3.630 -2.701 2.317 + 1170TIP3 H141415 -3.612 -2.793 2.293 + 1170TIP3 H241416 -3.624 -2.706 2.414 + 1170TIP3 OH241417 -3.300 -4.112 2.246 + 1170TIP3 H141418 -3.363 -4.182 2.274 + 1170TIP3 H241419 -3.240 -4.161 2.188 + 1170TIP3 OH241420 -2.772 -4.330 2.292 + 1170TIP3 H141421 -2.711 -4.290 2.227 + 1170TIP3 H241422 -2.859 -4.305 2.258 + 1170TIP3 OH241423 -2.577 -4.225 2.075 + 1170TIP3 H141424 -2.521 -4.248 2.000 + 1170TIP3 H241425 -2.558 -4.130 2.086 + 1170TIP3 OH241426 -4.074 -4.281 1.980 + 1170TIP3 H141427 -4.160 -4.316 1.954 + 1170TIP3 H241428 -4.027 -4.360 2.010 + 1170TIP3 OH241429 -4.206 -4.301 1.585 + 1170TIP3 H141430 -4.169 -4.234 1.525 + 1170TIP3 H241431 -4.259 -4.244 1.645 + 1170TIP3 OH241432 -3.614 -4.219 2.011 + 1170TIP3 H141433 -3.522 -4.234 1.984 + 1170TIP3 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1201TIP3 OH242353 0.775 -3.749 1.674 + 1201TIP3 H142354 0.863 -3.762 1.716 + 1201TIP3 H242355 0.784 -3.660 1.635 + 1201TIP3 OH242356 -0.193 -3.274 2.281 + 1201TIP3 H142357 -0.140 -3.279 2.199 + 1201TIP3 H242358 -0.178 -3.362 2.319 + 1201TIP3 OH242359 0.533 -3.073 1.590 + 1201TIP3 H142360 0.507 -2.987 1.628 + 1201TIP3 H242361 0.457 -3.128 1.617 + 1201TIP3 OH242362 -0.463 -3.446 2.804 + 1201TIP3 H142363 -0.451 -3.488 2.892 + 1201TIP3 H242364 -0.534 -3.498 2.763 + 1201TIP3 OH242365 0.229 -3.496 3.002 + 1201TIP3 H142366 0.201 -3.514 2.911 + 1201TIP3 H242367 0.324 -3.519 2.996 + 1202TIP3 OH242368 0.683 -2.954 2.777 + 1202TIP3 H142369 0.587 -2.941 2.770 + 1202TIP3 H242370 0.701 -2.924 2.868 + 1202TIP3 OH242371 1.235 -3.745 1.654 + 1202TIP3 H142372 1.181 -3.765 1.576 + 1202TIP3 H242373 1.248 -3.649 1.639 + 1202TIP3 OH242374 1.283 -3.139 2.933 + 1202TIP3 H142375 1.189 -3.119 2.914 + 1202TIP3 H242376 1.316 -3.160 2.843 + 1202TIP3 OH242377 1.055 -2.884 1.662 + 1202TIP3 H142378 1.036 -2.961 1.716 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OH242482 0.911 -2.774 1.371 + 1205TIP3 H142483 0.927 -2.856 1.420 + 1205TIP3 H242484 0.989 -2.770 1.312 + 1205TIP3 OH242485 -0.431 -3.234 3.142 + 1205TIP3 H142486 -0.418 -3.323 3.105 + 1205TIP3 H242487 -0.507 -3.203 3.089 + 1206TIP3 OH242488 -0.009 -3.193 1.342 + 1206TIP3 H142489 0.009 -3.252 1.417 + 1206TIP3 H242490 0.077 -3.195 1.295 + 1206TIP3 OH242491 0.232 -3.216 3.075 + 1206TIP3 H142492 0.203 -3.181 2.989 + 1206TIP3 H242493 0.239 -3.312 3.058 + 1206TIP3 OH242494 0.515 -3.061 1.304 + 1206TIP3 H142495 0.510 -3.065 1.400 + 1206TIP3 H242496 0.510 -3.156 1.282 + 1206TIP3 OH242497 0.770 -3.253 2.813 + 1206TIP3 H142498 0.849 -3.201 2.793 + 1206TIP3 H242499 0.701 -3.184 2.812 + 1206TIP3 OH242500 -0.341 -3.526 3.057 + 1206TIP3 H142501 -0.263 -3.583 3.063 + 1206TIP3 H242502 -0.349 -3.498 3.150 + 1206TIP3 OH242503 0.101 -3.385 1.577 + 1206TIP3 H142504 0.039 -3.437 1.630 + 1206TIP3 H242505 0.131 -3.453 1.512 + 1206TIP3 OH242506 0.013 -3.611 2.792 + 1206TIP3 H142507 -0.033 -3.530 2.820 + 1206TIP3 H242508 0.086 -3.575 2.739 + 1206TIP3 OH242509 0.194 -3.584 1.401 + 1206TIP3 H142510 0.190 -3.575 1.304 + 1206TIP3 H242511 0.290 -3.587 1.416 + 1206TIP3 OH242512 0.551 -3.339 3.156 + 1206TIP3 H142513 0.642 -3.355 3.126 + 1206TIP3 H242514 0.529 -3.422 3.199 + 1206TIP3 OH242515 1.147 -3.332 1.334 + 1206TIP3 H142516 1.137 -3.374 1.247 + 1206TIP3 H242517 1.136 -3.237 1.311 + 1207TIP3 OH242518 0.068 -3.882 2.910 + 1207TIP3 H142519 0.090 -3.945 2.839 + 1207TIP3 H242520 0.062 -3.798 2.862 + 1207TIP3 OH242521 0.118 -4.036 2.655 + 1207TIP3 H142522 0.172 -3.981 2.594 + 1207TIP3 H242523 0.027 -4.023 2.620 + 1207TIP3 OH242524 0.267 -3.489 2.701 + 1207TIP3 H142525 0.352 -3.496 2.654 + 1207TIP3 H242526 0.237 -3.401 2.670 + 1207TIP3 OH242527 0.725 -3.693 3.176 + 1207TIP3 H142528 0.747 -3.786 3.197 + 1207TIP3 H242529 0.814 -3.653 3.173 + 1207TIP3 OH242530 0.824 -3.416 3.026 + 1207TIP3 H142531 0.789 -3.353 2.959 + 1207TIP3 H242532 0.915 -3.428 2.992 + 1207TIP3 OH242533 -0.104 -3.704 3.096 + 1207TIP3 H142534 -0.164 -3.780 3.086 + 1207TIP3 H242535 -0.025 -3.734 3.049 + 1207TIP3 OH242536 0.167 -4.276 2.774 + 1207TIP3 H142537 0.178 -4.185 2.741 + 1207TIP3 H242538 0.076 -4.292 2.748 + 1207TIP3 OH242539 0.315 -3.844 3.072 + 1207TIP3 H142540 0.287 -3.872 3.161 + 1207TIP3 H242541 0.233 -3.865 3.023 + 1207TIP3 OH242542 0.572 -3.947 2.969 + 1207TIP3 H142543 0.484 -3.931 3.007 + 1207TIP3 H242544 0.611 -4.010 3.033 + 1207TIP3 OH242545 0.745 -4.138 3.137 + 1207TIP3 H142546 0.732 -4.225 3.178 + 1207TIP3 H242547 0.733 -4.077 3.212 + 1208TIP3 OH242548 -0.271 -3.933 3.045 + 1208TIP3 H142549 -0.270 -4.021 3.003 + 1208TIP3 H242550 -0.296 -3.956 3.136 + 1208TIP3 OH242551 0.278 -4.146 3.181 + 1208TIP3 H142552 0.255 -4.229 3.135 + 1208TIP3 H242553 0.192 -4.101 3.189 + 1208TIP3 OH242554 0.170 -2.467 1.529 + 1208TIP3 H142555 0.264 -2.467 1.513 + 1208TIP3 H242556 0.135 -2.424 1.450 + 1208TIP3 OH242557 -0.437 -3.023 1.469 + 1208TIP3 H142558 -0.342 -3.000 1.478 + 1208TIP3 H242559 -0.434 -3.097 1.405 + 1208TIP3 OH242560 -0.526 -2.502 1.937 + 1208TIP3 H142561 -0.601 -2.534 1.885 + 1208TIP3 H242562 -0.521 -2.567 2.010 + 1208TIP3 OH242563 -0.493 -2.696 2.140 + 1208TIP3 H142564 -0.519 -2.781 2.178 + 1208TIP3 H242565 -0.465 -2.648 2.220 + 1208TIP3 OH242566 1.256 -2.573 2.438 + 1208TIP3 H142567 1.272 -2.574 2.533 + 1208TIP3 H242568 1.340 -2.542 2.404 + 1208TIP3 OH242569 1.246 -2.628 2.725 + 1208TIP3 H142570 1.194 -2.702 2.689 + 1208TIP3 H242571 1.301 -2.675 2.789 + 1208TIP3 OH242572 1.045 -3.086 3.156 + 1208TIP3 H142573 0.956 -3.076 3.194 + 1208TIP3 H242574 1.090 -3.005 3.184 + 1208TIP3 OH242575 1.185 -3.195 1.728 + 1208TIP3 H142576 1.276 -3.162 1.743 + 1208TIP3 H242577 1.178 -3.258 1.801 + 1209TIP3 OH242578 1.236 -3.399 1.929 + 1209TIP3 H142579 1.166 -3.455 1.969 + 1209TIP3 H242580 1.302 -3.391 2.000 + 1209TIP3 OH242581 1.203 -3.149 2.424 + 1209TIP3 H142582 1.265 -3.199 2.368 + 1209TIP3 H242583 1.217 -3.058 2.392 + 1209TIP3 OH242584 1.075 -2.858 2.648 + 1209TIP3 H142585 1.002 -2.816 2.697 + 1209TIP3 H242586 1.030 -2.893 2.569 + 1209TIP3 OH242587 1.255 -3.455 1.584 + 1209TIP3 H142588 1.206 -3.426 1.505 + 1209TIP3 H242589 1.244 -3.378 1.642 + 1209TIP3 OH242590 1.083 -3.699 1.409 + 1209TIP3 H142591 1.111 -3.638 1.339 + 1209TIP3 H242592 1.059 -3.779 1.359 + 1209TIP3 OH242593 1.024 -3.583 2.006 + 1209TIP3 H142594 1.018 -3.678 1.988 + 1209TIP3 H242595 0.987 -3.576 2.097 + 1209TIP3 OH242596 -0.490 -3.370 2.376 + 1209TIP3 H142597 -0.467 -3.358 2.282 + 1209TIP3 H242598 -0.401 -3.385 2.414 + 1209TIP3 OH242599 1.086 -3.394 2.926 + 1209TIP3 H142600 1.162 -3.454 2.936 + 1209TIP3 H242601 1.128 -3.311 2.900 + 1209TIP3 OH242602 1.242 -3.589 3.048 + 1209TIP3 H142603 1.163 -3.638 3.020 + 1209TIP3 H242604 1.312 -3.656 3.037 + 1209TIP3 OH242605 1.025 -3.968 1.326 + 1209TIP3 H142606 1.086 -4.012 1.388 + 1209TIP3 H242607 0.944 -4.020 1.336 + 1210TIP3 OH242608 1.008 -3.827 1.827 + 1210TIP3 H142609 1.025 -3.924 1.832 + 1210TIP3 H242610 1.089 -3.797 1.784 + 1210TIP3 OH242611 1.035 -3.777 2.366 + 1210TIP3 H142612 1.132 -3.765 2.360 + 1210TIP3 H242613 1.024 -3.774 2.463 + 1210TIP3 OH242614 1.049 -3.705 2.652 + 1210TIP3 H142615 0.965 -3.662 2.677 + 1210TIP3 H242616 1.105 -3.629 2.629 + 1210TIP3 OH242617 1.268 -4.277 3.230 + 1210TIP3 H142618 1.310 -4.359 3.206 + 1210TIP3 H242619 1.266 -4.220 3.150 + 1210TIP3 OH242620 1.037 -4.098 1.835 + 1210TIP3 H142621 1.066 -4.149 1.912 + 1210TIP3 H242622 0.977 -4.162 1.792 + 1210TIP3 OH242623 -0.434 -3.990 2.306 + 1210TIP3 H142624 -0.402 -4.083 2.308 + 1210TIP3 H242625 -0.353 -3.942 2.331 + 1210TIP3 OH242626 -0.561 -3.733 2.418 + 1210TIP3 H142627 -0.511 -3.740 2.335 + 1210TIP3 H242628 -0.532 -3.646 2.448 + 1210TIP3 OH242629 1.242 -4.113 3.015 + 1210TIP3 H142630 1.158 -4.064 3.021 + 1210TIP3 H242631 1.237 -4.142 2.922 + 1210TIP3 OH242632 1.250 -4.057 1.492 + 1210TIP3 H142633 1.270 -4.143 1.450 + 1210TIP3 H242634 1.337 -4.015 1.498 + 1210TIP3 OH242635 -0.515 -4.101 1.807 + 1210TIP3 H142636 -0.610 -4.093 1.786 + 1210TIP3 H242637 -0.475 -4.033 1.748 + 1211TIP3 OH242638 0.943 -2.568 2.018 + 1211TIP3 H142639 0.991 -2.592 1.936 + 1211TIP3 H242640 1.014 -2.530 2.072 + 1211TIP3 OH242641 -0.532 -4.121 2.667 + 1211TIP3 H142642 -0.522 -4.216 2.689 + 1211TIP3 H242643 -0.552 -4.128 2.572 + 1211TIP3 OH242644 -0.317 -2.907 3.091 + 1211TIP3 H142645 -0.389 -2.897 3.026 + 1211TIP3 H242646 -0.362 -2.895 3.175 + 1211TIP3 OH242647 -0.030 -2.799 2.659 + 1211TIP3 H142648 -0.062 -2.714 2.624 + 1211TIP3 H242649 0.065 -2.789 2.640 + 1211TIP3 OH242650 0.420 -2.670 2.958 + 1211TIP3 H142651 0.435 -2.684 3.053 + 1211TIP3 H242652 0.502 -2.622 2.932 + 1211TIP3 OH242653 0.648 -2.523 2.882 + 1211TIP3 H142654 0.717 -2.587 2.861 + 1211TIP3 H242655 0.678 -2.491 2.970 + 1211TIP3 OH242656 1.111 -4.276 2.794 + 1211TIP3 H142657 1.056 -4.217 2.739 + 1211TIP3 H242658 1.124 -4.351 2.733 + 1211TIP3 OH242659 -0.295 -2.506 2.694 + 1211TIP3 H142660 -0.349 -2.441 2.645 + 1211TIP3 H242661 -0.333 -2.494 2.782 + 1211TIP3 OH242662 -0.039 -2.526 2.550 + 1211TIP3 H142663 -0.125 -2.505 2.592 + 1211TIP3 H242664 -0.039 -2.465 2.474 + 1211TIP3 OH242665 0.430 -2.525 2.500 + 1211TIP3 H142666 0.387 -2.481 2.424 + 1211TIP3 H242667 0.438 -2.451 2.563 + 1212TIP3 OH242668 0.662 -2.654 2.594 + 1212TIP3 H142669 0.578 -2.618 2.560 + 1212TIP3 H242670 0.719 -2.576 2.591 + 1212TIP3 OH242671 0.918 -2.481 2.613 + 1212TIP3 H142672 0.911 -2.386 2.591 + 1212TIP3 H242673 0.945 -2.517 2.526 + 1212TIP3 OH242674 -0.336 -2.591 2.373 + 1212TIP3 H142675 -0.330 -2.638 2.457 + 1212TIP3 H242676 -0.258 -2.624 2.325 + 1212TIP3 OH242677 -0.138 -2.746 2.229 + 1212TIP3 H142678 -0.154 -2.838 2.258 + 1212TIP3 H242679 -0.047 -2.730 2.259 + 1212TIP3 OH242680 0.141 -2.699 2.317 + 1212TIP3 H142681 0.161 -2.792 2.294 + 1212TIP3 H242682 0.146 -2.702 2.413 + 1212TIP3 OH242683 0.475 -4.113 2.252 + 1212TIP3 H142684 0.410 -4.182 2.274 + 1212TIP3 H242685 0.527 -4.155 2.182 + 1212TIP3 OH242686 0.981 -4.330 2.292 + 1212TIP3 H142687 1.055 -4.297 2.238 + 1212TIP3 H242688 0.905 -4.295 2.244 + 1212TIP3 OH242689 1.190 -4.223 2.072 + 1212TIP3 H142690 1.253 -4.247 2.003 + 1212TIP3 H242691 1.216 -4.130 2.089 + 1212TIP3 OH242692 -0.294 -4.282 1.981 + 1212TIP3 H142693 -0.385 -4.302 1.957 + 1212TIP3 H242694 -0.261 -4.367 2.012 + 1212TIP3 OH242695 -0.435 -4.291 1.604 + 1212TIP3 H142696 -0.389 -4.244 1.531 + 1212TIP3 H242697 -0.472 -4.216 1.653 + 1213TIP3 OH242698 0.158 -4.222 2.016 + 1213TIP3 H142699 0.246 -4.237 1.979 + 1213TIP3 H242700 0.138 -4.303 2.064 + 1213TIP3 OH242701 0.720 -4.270 2.144 + 1213TIP3 H142702 0.747 -4.251 2.054 + 1213TIP3 H242703 0.700 -4.365 2.142 + 1213TIP3 OH242704 0.817 -4.273 1.745 + 1213TIP3 H142705 0.746 -4.213 1.717 + 1213TIP3 H242706 0.781 -4.360 1.728 + 1213TIP3 OH242707 -0.393 -2.697 1.707 + 1213TIP3 H142708 -0.456 -2.703 1.633 + 1213TIP3 H242709 -0.390 -2.601 1.719 + 1213TIP3 OH242710 -0.244 -4.129 1.448 + 1213TIP3 H142711 -0.174 -4.160 1.388 + 1213TIP3 H242712 -0.191 -4.074 1.510 + 1213TIP3 OH242713 0.278 -4.061 1.676 + 1213TIP3 H142714 0.287 -4.143 1.728 + 1213TIP3 H242715 0.301 -3.991 1.740 + 1213TIP3 OH242716 0.486 -2.500 1.504 + 1213TIP3 H142717 0.581 -2.526 1.515 + 1213TIP3 H242718 0.457 -2.578 1.452 + 1213TIP3 OH242719 1.128 -2.610 1.776 + 1213TIP3 H142720 1.104 -2.694 1.732 + 1213TIP3 H242721 1.123 -2.548 1.702 + 1213TIP3 OH242722 -0.338 -4.177 2.918 + 1213TIP3 H142723 -0.374 -4.256 2.961 + 1213TIP3 H242724 -0.250 -4.211 2.896 + 1213TIP3 OH242725 -0.038 -4.280 3.187 + 1213TIP3 H142726 0.050 -4.306 3.151 + 1213TIP3 H242727 -0.058 -4.356 3.243 + 1214TIP3 OH242728 -0.252 -2.609 1.387 + 1214TIP3 H142729 -0.274 -2.568 1.473 + 1214TIP3 H242730 -0.169 -2.656 1.406 + 1214TIP3 OH242731 1.077 -2.734 3.016 + 1214TIP3 H142732 1.003 -2.753 2.955 + 1214TIP3 H242733 1.059 -2.640 3.036 + 1214TIP3 OH242734 2.497 -3.366 2.031 + 1214TIP3 H142735 2.496 -3.269 2.039 + 1214TIP3 H242736 2.420 -3.381 1.974 + 1214TIP3 OH242737 2.387 -3.425 2.339 + 1214TIP3 H142738 2.376 -3.490 2.409 + 1214TIP3 H242739 2.355 -3.476 2.263 + 1214TIP3 OH242740 1.620 -3.457 2.511 + 1214TIP3 H142741 1.629 -3.545 2.554 + 1214TIP3 H242742 1.704 -3.416 2.538 + 1214TIP3 OH242743 2.751 -3.148 2.169 + 1214TIP3 H142744 2.712 -3.218 2.222 + 1214TIP3 H242745 2.778 -3.085 2.238 + 1214TIP3 OH242746 1.695 -3.002 2.355 + 1214TIP3 H142747 1.673 -3.094 2.330 + 1214TIP3 H242748 1.789 -3.013 2.376 + 1214TIP3 OH242749 1.387 -3.664 1.892 + 1214TIP3 H142750 1.352 -3.574 1.901 + 1214TIP3 H242751 1.315 -3.707 1.844 + 1214TIP3 OH242752 1.483 -3.432 2.096 + 1214TIP3 H142753 1.502 -3.516 2.141 + 1214TIP3 H242754 1.561 -3.423 2.039 + 1214TIP3 OH242755 2.456 -2.612 2.225 + 1214TIP3 H142756 2.515 -2.684 2.194 + 1214TIP3 H242757 2.428 -2.646 2.311 + 1215TIP3 OH242758 2.232 -3.171 2.397 + 1215TIP3 H142759 2.263 -3.240 2.336 + 1215TIP3 H242760 2.315 -3.156 2.446 + 1215TIP3 OH242761 3.086 -4.017 2.449 + 1215TIP3 H142762 3.121 -3.972 2.527 + 1215TIP3 H242763 3.151 -3.989 2.382 + 1215TIP3 OH242764 2.559 -3.741 2.445 + 1215TIP3 H142765 2.577 -3.836 2.443 + 1215TIP3 H242766 2.549 -3.722 2.351 + 1215TIP3 OH242767 2.646 -3.922 1.988 + 1215TIP3 H142768 2.708 -3.965 2.051 + 1215TIP3 H242769 2.707 -3.877 1.928 + 1215TIP3 OH242770 1.561 -3.691 2.228 + 1215TIP3 H142771 1.637 -3.731 2.274 + 1215TIP3 H242772 1.569 -3.734 2.141 + 1215TIP3 OH242773 2.059 -3.523 2.151 + 1215TIP3 H142774 2.128 -3.579 2.191 + 1215TIP3 H242775 2.008 -3.590 2.099 + 1215TIP3 OH242776 3.179 -3.842 2.724 + 1215TIP3 H142777 3.105 -3.796 2.682 + 1215TIP3 H242778 3.133 -3.899 2.787 + 1215TIP3 OH242779 2.489 -3.080 1.908 + 1215TIP3 H142780 2.455 -3.105 1.821 + 1215TIP3 H242781 2.441 -2.997 1.926 + 1215TIP3 OH242782 2.032 -3.272 2.583 + 1215TIP3 H142783 1.957 -3.214 2.604 + 1215TIP3 H242784 2.091 -3.212 2.533 + 1215TIP3 OH242785 2.835 -4.015 2.190 + 1215TIP3 H142786 2.785 -4.061 2.258 + 1215TIP3 H242787 2.885 -3.950 2.244 + 1216TIP3 OH242788 1.831 -3.082 2.655 + 1216TIP3 H142789 1.827 -2.990 2.622 + 1216TIP3 H242790 1.743 -3.089 2.697 + 1216TIP3 OH242791 1.460 -3.112 1.742 + 1216TIP3 H142792 1.443 -3.062 1.660 + 1216TIP3 H242793 1.478 -3.041 1.807 + 1216TIP3 OH242794 2.806 -2.968 2.417 + 1216TIP3 H142795 2.710 -2.955 2.420 + 1216TIP3 H242796 2.835 -2.881 2.383 + 1216TIP3 OH242797 2.849 -4.107 2.593 + 1216TIP3 H142798 2.768 -4.078 2.548 + 1216TIP3 H242799 2.914 -4.097 2.522 + 1216TIP3 OH242800 2.137 -4.306 2.317 + 1216TIP3 H142801 2.133 -4.400 2.298 + 1216TIP3 H242802 2.044 -4.277 2.318 + 1216TIP3 OH242803 2.638 -2.775 2.078 + 1216TIP3 H142804 2.686 -2.853 2.044 + 1216TIP3 H242805 2.703 -2.704 2.063 + 1216TIP3 OH242806 2.783 -2.988 1.936 + 1216TIP3 H142807 2.728 -3.033 1.870 + 1216TIP3 H242808 2.777 -3.051 2.010 + 1216TIP3 OH242809 2.925 -3.109 2.785 + 1216TIP3 H142810 2.921 -3.167 2.707 + 1216TIP3 H242811 2.940 -3.022 2.744 + 1216TIP3 OH242812 2.362 -3.415 1.757 + 1216TIP3 H142813 2.295 -3.355 1.719 + 1216TIP3 H242814 2.432 -3.410 1.690 + 1216TIP3 OH242815 2.390 -3.595 1.461 + 1216TIP3 H142816 2.460 -3.565 1.522 + 1216TIP3 H242817 2.441 -3.653 1.403 + 1217TIP3 OH242818 3.109 -3.489 2.579 + 1217TIP3 H142819 3.038 -3.421 2.582 + 1217TIP3 H242820 3.160 -3.457 2.502 + 1217TIP3 OH242821 2.713 -3.414 1.863 + 1217TIP3 H142822 2.644 -3.392 1.930 + 1217TIP3 H242823 2.772 -3.471 1.916 + 1217TIP3 OH242824 2.704 -3.530 2.811 + 1217TIP3 H142825 2.691 -3.432 2.821 + 1217TIP3 H242826 2.642 -3.541 2.736 + 1217TIP3 OH242827 1.872 -3.339 2.041 + 1217TIP3 H142828 1.840 -3.383 1.960 + 1217TIP3 H242829 1.937 -3.404 2.074 + 1217TIP3 OH242830 2.010 -2.996 2.315 + 1217TIP3 H142831 1.997 -3.037 2.228 + 1217TIP3 H242832 2.089 -3.043 2.348 + 1217TIP3 OH242833 1.933 -3.487 2.411 + 1217TIP3 H142834 1.975 -3.481 2.324 + 1217TIP3 H242835 1.963 -3.408 2.457 + 1217TIP3 OH242836 2.523 -2.904 2.449 + 1217TIP3 H142837 2.530 -2.835 2.518 + 1217TIP3 H242838 2.504 -2.985 2.498 + 1217TIP3 OH242839 2.014 -3.027 2.876 + 1217TIP3 H142840 1.963 -2.957 2.921 + 1217TIP3 H242841 1.953 -3.053 2.805 + 1217TIP3 OH242842 2.609 -3.472 1.609 + 1217TIP3 H142843 2.656 -3.443 1.691 + 1217TIP3 H242844 2.658 -3.420 1.541 + 1217TIP3 OH242845 1.717 -3.389 2.792 + 1217TIP3 H142846 1.712 -3.329 2.868 + 1217TIP3 H242847 1.623 -3.400 2.768 + 1218TIP3 OH242848 2.355 -2.810 1.966 + 1218TIP3 H142849 2.400 -2.779 2.046 + 1218TIP3 H242850 2.305 -2.732 1.938 + 1218TIP3 OH242851 1.827 -2.808 2.955 + 1218TIP3 H142852 1.815 -2.802 2.858 + 1218TIP3 H242853 1.738 -2.833 2.986 + 1218TIP3 OH242854 2.930 -4.325 1.532 + 1218TIP3 H142855 2.882 -4.323 1.617 + 1218TIP3 H242856 3.005 -4.268 1.553 + 1218TIP3 OH242857 1.766 -3.462 1.797 + 1218TIP3 H142858 1.742 -3.389 1.736 + 1218TIP3 H242859 1.705 -3.532 1.771 + 1218TIP3 OH242860 3.090 -2.882 1.412 + 1218TIP3 H142861 3.105 -2.789 1.436 + 1218TIP3 H242862 3.177 -2.923 1.432 + 1218TIP3 OH242863 1.370 -3.195 2.667 + 1218TIP3 H142864 1.328 -3.196 2.579 + 1218TIP3 H242865 1.385 -3.290 2.684 + 1218TIP3 OH242866 1.376 -2.903 2.359 + 1218TIP3 H142867 1.468 -2.933 2.365 + 1218TIP3 H242868 1.371 -2.843 2.435 + 1218TIP3 OH242869 3.200 -2.858 2.936 + 1218TIP3 H142870 3.184 -2.954 2.927 + 1218TIP3 H242871 3.112 -2.826 2.964 + 1218TIP3 OH242872 2.279 -2.921 2.817 + 1218TIP3 H142873 2.288 -2.838 2.868 + 1218TIP3 H242874 2.188 -2.948 2.840 + 1218TIP3 OH242875 2.309 -2.538 1.815 + 1218TIP3 H142876 2.307 -2.530 1.718 + 1218TIP3 H242877 2.313 -2.446 1.844 + 1219TIP3 OH242878 1.689 -2.624 1.977 + 1219TIP3 H142879 1.703 -2.670 2.062 + 1219TIP3 H242880 1.606 -2.664 1.947 + 1219TIP3 OH242881 2.640 -2.595 1.533 + 1219TIP3 H142882 2.695 -2.662 1.488 + 1219TIP3 H242883 2.632 -2.634 1.623 + 1219TIP3 OH242884 2.577 -2.653 1.814 + 1219TIP3 H142885 2.482 -2.640 1.826 + 1219TIP3 H242886 2.592 -2.726 1.876 + 1219TIP3 OH242887 1.589 -3.041 2.792 + 1219TIP3 H142888 1.617 -3.089 2.872 + 1219TIP3 H242889 1.516 -3.095 2.758 + 1219TIP3 OH242890 2.369 -4.261 2.743 + 1219TIP3 H142891 2.383 -4.312 2.823 + 1219TIP3 H242892 2.275 -4.277 2.726 + 1219TIP3 OH242893 2.662 -3.864 2.784 + 1219TIP3 H142894 2.603 -3.879 2.860 + 1219TIP3 H242895 2.655 -3.768 2.770 + 1219TIP3 OH242896 2.764 -3.362 1.410 + 1219TIP3 H142897 2.743 -3.379 1.316 + 1219TIP3 H242898 2.857 -3.337 1.403 + 1219TIP3 OH242899 2.329 -3.994 1.454 + 1219TIP3 H142900 2.275 -4.004 1.536 + 1219TIP3 H242901 2.279 -4.054 1.395 + 1219TIP3 OH242902 1.897 -3.697 1.995 + 1219TIP3 H142903 1.808 -3.735 2.008 + 1219TIP3 H242904 1.923 -3.741 1.913 + 1219TIP3 OH242905 2.450 -3.651 1.875 + 1219TIP3 H142906 2.409 -3.569 1.842 + 1219TIP3 H242907 2.516 -3.669 1.806 + 1220TIP3 OH242908 2.369 -3.627 3.033 + 1220TIP3 H142909 2.311 -3.706 3.042 + 1220TIP3 H242910 2.457 -3.665 3.042 + 1220TIP3 OH242911 2.541 -3.711 2.152 + 1220TIP3 H142912 2.507 -3.653 2.080 + 1220TIP3 H242913 2.558 -3.792 2.100 + 1220TIP3 OH242914 1.618 -3.691 2.687 + 1220TIP3 H142915 1.668 -3.676 2.768 + 1220TIP3 H242916 1.611 -3.788 2.688 + 1220TIP3 OH242917 1.966 -3.945 1.354 + 1220TIP3 H142918 1.931 -3.981 1.437 + 1220TIP3 H242919 1.887 -3.928 1.301 + 1220TIP3 OH242920 1.312 -3.971 2.067 + 1220TIP3 H142921 1.376 -3.952 2.138 + 1220TIP3 H242922 1.369 -3.987 1.991 + 1220TIP3 OH242923 1.469 -3.912 1.626 + 1220TIP3 H142924 1.526 -3.862 1.565 + 1220TIP3 H242925 1.400 -3.845 1.646 + 1220TIP3 OH242926 2.486 -3.550 2.629 + 1220TIP3 H142927 2.505 -3.615 2.557 + 1220TIP3 H242928 2.407 -3.587 2.671 + 1220TIP3 OH242929 2.130 -3.949 2.105 + 1220TIP3 H142930 2.036 -3.940 2.128 + 1220TIP3 H242931 2.169 -3.964 2.192 + 1220TIP3 OH242932 1.616 -3.826 1.975 + 1220TIP3 H142933 1.541 -3.799 1.919 + 1220TIP3 H242934 1.654 -3.904 1.930 + 1220TIP3 OH242935 1.987 -3.798 1.730 + 1220TIP3 H142936 2.082 -3.782 1.742 + 1220TIP3 H242937 1.959 -3.730 1.667 + 1221TIP3 OH242938 2.599 -4.034 2.401 + 1221TIP3 H142939 2.533 -4.035 2.473 + 1221TIP3 H242940 2.544 -4.064 2.327 + 1221TIP3 OH242941 1.830 -3.668 1.512 + 1221TIP3 H142942 1.774 -3.696 1.438 + 1221TIP3 H242943 1.913 -3.649 1.465 + 1221TIP3 OH242944 1.696 -3.195 3.011 + 1221TIP3 H142945 1.763 -3.183 3.082 + 1221TIP3 H242946 1.615 -3.196 3.065 + 1221TIP3 OH242947 2.272 -3.693 2.288 + 1221TIP3 H142948 2.337 -3.748 2.241 + 1221TIP3 H242949 2.239 -3.754 2.357 + 1221TIP3 OH242950 1.787 -4.053 1.900 + 1221TIP3 H142951 1.750 -4.135 1.936 + 1221TIP3 H242952 1.875 -4.080 1.872 + 1221TIP3 OH242953 2.146 -3.829 2.516 + 1221TIP3 H142954 2.058 -3.790 2.505 + 1221TIP3 H242955 2.176 -3.798 2.604 + 1221TIP3 OH242956 2.178 -3.209 1.696 + 1221TIP3 H142957 2.102 -3.260 1.661 + 1221TIP3 H242958 2.159 -3.206 1.793 + 1221TIP3 OH242959 2.900 -3.298 2.570 + 1221TIP3 H142960 2.950 -3.242 2.507 + 1221TIP3 H242961 2.815 -3.307 2.522 + 1221TIP3 OH242962 2.596 -3.930 1.457 + 1221TIP3 H142963 2.498 -3.939 1.460 + 1221TIP3 H242964 2.614 -3.863 1.526 + 1221TIP3 OH242965 2.355 -3.207 2.834 + 1221TIP3 H142966 2.308 -3.239 2.912 + 1221TIP3 H242967 2.318 -3.117 2.824 + 1222TIP3 OH242968 2.661 -3.749 1.673 + 1222TIP3 H142969 2.748 -3.762 1.716 + 1222TIP3 H242970 2.670 -3.660 1.635 + 1222TIP3 OH242971 1.709 -3.275 2.283 + 1222TIP3 H142972 1.757 -3.290 2.200 + 1222TIP3 H242973 1.702 -3.365 2.319 + 1222TIP3 OH242974 2.419 -3.073 1.589 + 1222TIP3 H142975 2.393 -2.987 1.628 + 1222TIP3 H242976 2.343 -3.129 1.616 + 1222TIP3 OH242977 1.409 -3.439 2.810 + 1222TIP3 H142978 1.436 -3.490 2.889 + 1222TIP3 H242979 1.363 -3.505 2.756 + 1222TIP3 OH242980 2.112 -3.495 3.006 + 1222TIP3 H142981 2.068 -3.520 2.922 + 1222TIP3 H242982 2.204 -3.519 2.985 + 1222TIP3 OH242983 2.572 -2.961 2.777 + 1222TIP3 H142984 2.476 -2.947 2.770 + 1222TIP3 H242985 2.591 -2.926 2.865 + 1222TIP3 OH242986 3.123 -3.746 1.653 + 1222TIP3 H142987 3.066 -3.765 1.575 + 1222TIP3 H242988 3.134 -3.650 1.639 + 1222TIP3 OH242989 3.158 -3.157 2.936 + 1222TIP3 H142990 3.063 -3.141 2.914 + 1222TIP3 H242991 3.194 -3.168 2.846 + 1222TIP3 OH242992 2.943 -2.883 1.663 + 1222TIP3 H142993 2.919 -2.960 1.717 + 1222TIP3 H242994 2.996 -2.921 1.592 + 1222TIP3 OH242995 2.668 -3.351 2.401 + 1222TIP3 H142996 2.574 -3.365 2.376 + 1222TIP3 H242997 2.710 -3.423 2.349 + 1223TIP3 OH242998 1.931 -2.942 2.004 + 1223TIP3 H142999 1.973 -2.855 1.991 + 1223TIP3 H243000 1.839 -2.923 1.980 + 1223TIP3 OH243001 1.530 -3.463 1.465 + 1223TIP3 H143002 1.588 -3.396 1.505 + 1223TIP3 H243003 1.442 -3.434 1.498 + 1223TIP3 OH243004 2.115 -3.172 1.968 + 1223TIP3 H143005 2.081 -3.082 1.981 + 1223TIP3 H243006 2.045 -3.225 2.010 + 1223TIP3 OH243007 2.130 -2.747 2.602 + 1223TIP3 H143008 2.186 -2.672 2.573 + 1223TIP3 H243009 2.193 -2.796 2.658 + 1223TIP3 OH243010 1.975 -2.652 1.928 + 1223TIP3 H143011 1.879 -2.637 1.934 + 1223TIP3 H243012 2.010 -2.563 1.949 + 1223TIP3 OH243013 2.476 -3.176 2.563 + 1223TIP3 H143014 2.448 -3.199 2.654 + 1223TIP3 H243015 2.549 -3.238 2.547 + 1223TIP3 OH243016 2.689 -3.040 1.451 + 1223TIP3 H143017 2.730 -3.087 1.526 + 1223TIP3 H243018 2.596 -3.055 1.474 + 1223TIP3 OH243019 2.769 -2.716 2.800 + 1223TIP3 H143020 2.693 -2.754 2.752 + 1223TIP3 H243021 2.784 -2.633 2.749 + 1223TIP3 OH243022 3.163 -2.615 1.504 + 1223TIP3 H143023 3.231 -2.550 1.481 + 1223TIP3 H243024 3.085 -2.557 1.506 + 1223TIP3 OH243025 1.563 -3.963 2.763 + 1223TIP3 H143026 1.481 -3.949 2.713 + 1223TIP3 H243027 1.549 -4.055 2.790 + 1224TIP3 OH243028 2.785 -3.180 1.689 + 1224TIP3 H143029 2.757 -3.252 1.748 + 1224TIP3 H243030 2.882 -3.182 1.699 + 1224TIP3 OH243031 1.527 -2.803 2.606 + 1224TIP3 H143032 1.556 -2.894 2.622 + 1224TIP3 H243033 1.549 -2.762 2.691 + 1224TIP3 OH243034 2.113 -2.936 1.309 + 1224TIP3 H143035 2.140 -3.015 1.258 + 1224TIP3 H243036 2.069 -2.977 1.386 + 1224TIP3 OH243037 1.997 -2.985 1.579 + 1224TIP3 H143038 2.048 -3.038 1.643 + 1224TIP3 H243039 2.011 -2.894 1.612 + 1224TIP3 OH243040 1.680 -3.241 1.619 + 1224TIP3 H143041 1.608 -3.203 1.672 + 1224TIP3 H243042 1.727 -3.161 1.591 + 1224TIP3 OH243043 2.436 -4.003 2.632 + 1224TIP3 H143044 2.507 -3.983 2.695 + 1224TIP3 H243045 2.403 -4.089 2.662 + 1224TIP3 OH243046 2.526 -4.059 1.744 + 1224TIP3 H143047 2.524 -3.998 1.669 + 1224TIP3 H243048 2.555 -4.001 1.816 + 1224TIP3 OH243049 2.292 -2.821 1.643 + 1224TIP3 H143050 2.209 -2.773 1.659 + 1224TIP3 H243051 2.326 -2.776 1.564 + 1224TIP3 OH243052 2.256 -3.857 1.855 + 1224TIP3 H143053 2.326 -3.789 1.868 + 1224TIP3 H243054 2.214 -3.863 1.943 + 1224TIP3 OH243055 2.273 -3.765 2.762 + 1224TIP3 H143056 2.297 -3.705 2.833 + 1224TIP3 H243057 2.341 -3.833 2.761 + 1225TIP3 OH243058 2.332 -4.168 1.956 + 1225TIP3 H143059 2.290 -4.089 1.993 + 1225TIP3 H243060 2.377 -4.130 1.878 + 1225TIP3 OH243061 2.013 -2.715 1.643 + 1225TIP3 H143062 2.005 -2.635 1.587 + 1225TIP3 H243063 1.998 -2.680 1.732 + 1225TIP3 OH243064 1.874 -4.049 1.602 + 1225TIP3 H143065 1.878 -3.966 1.653 + 1225TIP3 H243066 1.959 -4.089 1.627 + 1225TIP3 OH243067 2.932 -3.964 2.840 + 1225TIP3 H143068 2.838 -3.940 2.838 + 1225TIP3 H243069 2.941 -3.993 2.748 + 1225TIP3 OH243070 2.767 -3.574 2.249 + 1225TIP3 H143071 2.686 -3.618 2.220 + 1225TIP3 H243072 2.816 -3.647 2.294 + 1225TIP3 OH243073 1.723 -2.961 1.496 + 1225TIP3 H143074 1.797 -2.911 1.535 + 1225TIP3 H243075 1.772 -3.010 1.428 + 1225TIP3 OH243076 1.538 -3.745 1.406 + 1225TIP3 H143077 1.552 -3.651 1.429 + 1225TIP3 H243078 1.451 -3.743 1.365 + 1225TIP3 OH243079 2.870 -2.690 2.389 + 1225TIP3 H143080 2.850 -2.606 2.343 + 1225TIP3 H243081 2.962 -2.674 2.415 + 1225TIP3 OH243082 1.600 -4.238 2.323 + 1225TIP3 H143083 1.642 -4.218 2.238 + 1225TIP3 H243084 1.582 -4.332 2.315 + 1225TIP3 OH243085 1.519 -2.889 1.914 + 1225TIP3 H143086 1.441 -2.837 1.937 + 1225TIP3 H243087 1.557 -2.837 1.842 + 1226TIP3 OH243088 1.462 -2.599 3.027 + 1226TIP3 H143089 1.517 -2.626 3.102 + 1226TIP3 H243090 1.421 -2.684 3.000 + 1226TIP3 OH243091 1.925 -2.697 3.209 + 1226TIP3 H143092 2.000 -2.756 3.225 + 1226TIP3 H243093 1.905 -2.717 3.116 + 1226TIP3 OH243094 2.335 -2.767 1.360 + 1226TIP3 H143095 2.258 -2.827 1.349 + 1226TIP3 H243096 2.405 -2.822 1.321 + 1226TIP3 OH243097 2.573 -2.862 3.065 + 1226TIP3 H143098 2.539 -2.945 3.103 + 1226TIP3 H243099 2.645 -2.839 3.126 + 1226TIP3 OH243100 2.798 -2.774 1.370 + 1226TIP3 H143101 2.810 -2.857 1.420 + 1226TIP3 H243102 2.876 -2.773 1.312 + 1226TIP3 OH243103 1.455 -3.236 3.141 + 1226TIP3 H143104 1.465 -3.326 3.104 + 1226TIP3 H243105 1.379 -3.204 3.089 + 1226TIP3 OH243106 1.877 -3.193 1.342 + 1226TIP3 H143107 1.893 -3.252 1.417 + 1226TIP3 H243108 1.963 -3.197 1.296 + 1226TIP3 OH243109 2.122 -3.219 3.072 + 1226TIP3 H143110 2.087 -3.180 2.990 + 1226TIP3 H243111 2.120 -3.315 3.054 + 1226TIP3 OH243112 2.402 -3.060 1.304 + 1226TIP3 H143113 2.396 -3.065 1.401 + 1226TIP3 H243114 2.396 -3.155 1.281 + 1226TIP3 OH243115 2.664 -3.263 2.846 + 1226TIP3 H143116 2.731 -3.200 2.815 + 1226TIP3 H243117 2.583 -3.210 2.836 + 1227TIP3 OH243118 1.541 -3.520 3.057 + 1227TIP3 H143119 1.612 -3.586 3.057 + 1227TIP3 H243120 1.535 -3.500 3.152 + 1227TIP3 OH243121 1.986 -3.385 1.577 + 1227TIP3 H143122 1.925 -3.436 1.632 + 1227TIP3 H243123 2.015 -3.453 1.512 + 1227TIP3 OH243124 1.918 -3.605 2.800 + 1227TIP3 H143125 1.853 -3.533 2.809 + 1227TIP3 H243126 1.962 -3.579 2.717 + 1227TIP3 OH243127 2.080 -3.583 1.401 + 1227TIP3 H143128 2.076 -3.575 1.304 + 1227TIP3 H243129 2.176 -3.588 1.416 + 1227TIP3 OH243130 2.437 -3.331 3.164 + 1227TIP3 H143131 2.523 -3.334 3.122 + 1227TIP3 H243132 2.412 -3.424 3.172 + 1227TIP3 OH243133 3.033 -3.332 1.333 + 1227TIP3 H143134 3.021 -3.374 1.247 + 1227TIP3 H243135 3.021 -3.237 1.309 + 1227TIP3 OH243136 1.969 -3.875 2.913 + 1227TIP3 H143137 1.965 -3.943 2.844 + 1227TIP3 H243138 1.949 -3.795 2.861 + 1227TIP3 OH243139 1.990 -4.041 2.648 + 1227TIP3 H143140 2.051 -3.988 2.594 + 1227TIP3 H243141 1.908 -4.023 2.597 + 1227TIP3 OH243142 2.177 -3.479 2.705 + 1227TIP3 H143143 2.238 -3.489 2.632 + 1227TIP3 H243144 2.125 -3.401 2.675 + 1227TIP3 OH243145 2.657 -3.678 3.171 + 1227TIP3 H143146 2.628 -3.771 3.169 + 1227TIP3 H243147 2.745 -3.690 3.213 + 1228TIP3 OH243148 1.797 -3.700 3.103 + 1228TIP3 H143149 1.736 -3.775 3.092 + 1228TIP3 H243150 1.869 -3.726 3.044 + 1228TIP3 OH243151 2.062 -4.282 2.779 + 1228TIP3 H143152 2.060 -4.190 2.743 + 1228TIP3 H243153 1.973 -4.311 2.753 + 1228TIP3 OH243154 2.200 -3.843 3.075 + 1228TIP3 H143155 2.159 -3.873 3.158 + 1228TIP3 H243156 2.125 -3.860 3.014 + 1228TIP3 OH243157 2.466 -3.934 2.980 + 1228TIP3 H143158 2.371 -3.934 3.003 + 1228TIP3 H243159 2.498 -4.010 3.032 + 1228TIP3 OH243160 2.631 -4.121 3.157 + 1228TIP3 H143161 2.616 -4.214 3.180 + 1228TIP3 H243162 2.605 -4.075 3.238 + 1228TIP3 OH243163 1.663 -3.957 3.076 + 1228TIP3 H143164 1.638 -4.017 3.003 + 1228TIP3 H243165 1.621 -4.000 3.152 + 1228TIP3 OH243166 2.168 -4.142 3.182 + 1228TIP3 H143167 2.145 -4.226 3.137 + 1228TIP3 H243168 2.081 -4.098 3.188 + 1228TIP3 OH243169 2.058 -2.461 1.512 + 1228TIP3 H143170 2.154 -2.448 1.520 + 1228TIP3 H243171 2.041 -2.414 1.429 + 1228TIP3 OH243172 1.448 -3.021 1.467 + 1228TIP3 H143173 1.544 -3.001 1.478 + 1228TIP3 H243174 1.451 -3.098 1.407 + 1228TIP3 OH243175 1.348 -2.501 1.938 + 1228TIP3 H143176 1.277 -2.538 1.883 + 1228TIP3 H243177 1.357 -2.570 2.007 + 1229TIP3 OH243178 1.387 -2.699 2.137 + 1229TIP3 H143179 1.357 -2.786 2.168 + 1229TIP3 H243180 1.421 -2.663 2.220 + 1229TIP3 OH243181 3.141 -2.576 2.441 + 1229TIP3 H143182 3.149 -2.569 2.538 + 1229TIP3 H243183 3.228 -2.547 2.413 + 1229TIP3 OH243184 3.134 -2.617 2.722 + 1229TIP3 H143185 3.074 -2.690 2.698 + 1229TIP3 H243186 3.182 -2.655 2.797 + 1229TIP3 OH243187 2.933 -3.080 3.161 + 1229TIP3 H143188 2.844 -3.066 3.198 + 1229TIP3 H243189 2.978 -2.998 3.184 + 1229TIP3 OH243190 3.071 -3.194 1.727 + 1229TIP3 H143191 3.162 -3.162 1.744 + 1229TIP3 H243192 3.062 -3.258 1.800 + 1229TIP3 OH243193 3.116 -3.398 1.925 + 1229TIP3 H143194 3.050 -3.455 1.968 + 1229TIP3 H243195 3.185 -3.387 1.993 + 1229TIP3 OH243196 3.089 -3.151 2.426 + 1229TIP3 H143197 3.150 -3.197 2.366 + 1229TIP3 H243198 3.099 -3.059 2.396 + 1229TIP3 OH243199 2.961 -2.861 2.651 + 1229TIP3 H143200 2.889 -2.815 2.698 + 1229TIP3 H243201 2.916 -2.893 2.570 + 1229TIP3 OH243202 3.143 -3.454 1.583 + 1229TIP3 H143203 3.091 -3.426 1.505 + 1229TIP3 H243204 3.129 -3.379 1.643 + 1229TIP3 OH243205 2.971 -3.699 1.409 + 1229TIP3 H143206 2.996 -3.639 1.338 + 1229TIP3 H243207 2.944 -3.779 1.360 + 1230TIP3 OH243208 2.912 -3.584 2.008 + 1230TIP3 H143209 2.903 -3.679 1.988 + 1230TIP3 H243210 2.872 -3.577 2.096 + 1230TIP3 OH243211 1.395 -3.361 2.377 + 1230TIP3 H143212 1.421 -3.364 2.283 + 1230TIP3 H243213 1.479 -3.385 2.420 + 1230TIP3 OH243214 3.065 -3.584 3.021 + 1230TIP3 H143215 3.042 -3.653 2.957 + 1230TIP3 H243216 3.161 -3.601 3.030 + 1230TIP3 OH243217 2.911 -3.968 1.326 + 1230TIP3 H143218 2.969 -4.013 1.390 + 1230TIP3 H243219 2.829 -4.018 1.334 + 1230TIP3 OH243220 2.894 -3.827 1.827 + 1230TIP3 H143221 2.911 -3.924 1.832 + 1230TIP3 H243222 2.976 -3.797 1.783 + 1230TIP3 OH243223 2.919 -3.774 2.366 + 1230TIP3 H143224 3.017 -3.767 2.363 + 1230TIP3 H243225 2.905 -3.776 2.462 + 1230TIP3 OH243226 2.933 -3.702 2.657 + 1230TIP3 H143227 2.851 -3.660 2.687 + 1230TIP3 H243228 2.985 -3.625 2.626 + 1230TIP3 OH243229 1.386 -3.836 3.019 + 1230TIP3 H143230 1.479 -3.860 3.007 + 1230TIP3 H243231 1.344 -3.923 3.022 + 1230TIP3 OH243232 3.146 -4.275 3.225 + 1230TIP3 H143233 3.205 -4.349 3.207 + 1230TIP3 H243234 3.155 -4.215 3.147 + 1230TIP3 OH243235 2.923 -4.098 1.834 + 1230TIP3 H143236 2.945 -4.150 1.913 + 1230TIP3 H243237 2.861 -4.159 1.789 + 1231TIP3 OH243238 1.488 -3.991 2.312 + 1231TIP3 H143239 1.527 -4.081 2.325 + 1231TIP3 H243240 1.568 -3.940 2.336 + 1231TIP3 OH243241 1.315 -3.721 2.389 + 1231TIP3 H143242 1.388 -3.743 2.328 + 1231TIP3 H243243 1.359 -3.654 2.443 + 1231TIP3 OH243244 3.131 -4.106 3.010 + 1231TIP3 H143245 3.045 -4.061 3.010 + 1231TIP3 H243246 3.127 -4.146 2.921 + 1231TIP3 OH243247 3.137 -4.059 1.498 + 1231TIP3 H143248 3.154 -4.143 1.449 + 1231TIP3 H243249 3.223 -4.014 1.494 + 1231TIP3 OH243250 1.369 -4.107 1.799 + 1231TIP3 H143251 1.275 -4.090 1.786 + 1231TIP3 H243252 1.411 -4.035 1.748 + 1231TIP3 OH243253 2.829 -2.564 2.016 + 1231TIP3 H143254 2.877 -2.592 1.937 + 1231TIP3 H243255 2.899 -2.534 2.074 + 1231TIP3 OH243256 1.362 -4.149 2.653 + 1231TIP3 H143257 1.303 -4.219 2.684 + 1231TIP3 H243258 1.327 -4.128 2.565 + 1231TIP3 OH243259 1.570 -2.899 3.093 + 1231TIP3 H143260 1.500 -2.900 3.026 + 1231TIP3 H243261 1.520 -2.898 3.175 + 1231TIP3 OH243262 1.854 -2.797 2.658 + 1231TIP3 H143263 1.823 -2.712 2.622 + 1231TIP3 H243264 1.950 -2.788 2.640 + 1231TIP3 OH243265 2.304 -2.669 2.958 + 1231TIP3 H143266 2.321 -2.684 3.052 + 1231TIP3 H243267 2.385 -2.622 2.931 + 1232TIP3 OH243268 2.530 -2.526 2.885 + 1232TIP3 H143269 2.601 -2.586 2.855 + 1232TIP3 H243270 2.570 -2.490 2.966 + 1232TIP3 OH243271 2.992 -4.276 2.804 + 1232TIP3 H143272 2.941 -4.214 2.748 + 1232TIP3 H243273 3.013 -4.343 2.738 + 1232TIP3 OH243274 1.592 -2.502 2.691 + 1232TIP3 H143275 1.532 -2.440 2.646 + 1232TIP3 H243276 1.557 -2.499 2.780 + 1232TIP3 OH243277 1.842 -2.525 2.546 + 1232TIP3 H143278 1.755 -2.507 2.590 + 1232TIP3 H243279 1.844 -2.457 2.477 + 1232TIP3 OH243280 2.317 -2.527 2.502 + 1232TIP3 H143281 2.279 -2.482 2.425 + 1232TIP3 H243282 2.326 -2.452 2.565 + 1232TIP3 OH243283 2.556 -2.650 2.593 + 1232TIP3 H143284 2.472 -2.614 2.559 + 1232TIP3 H243285 2.612 -2.571 2.591 + 1232TIP3 OH243286 2.805 -2.490 2.627 + 1232TIP3 H143287 2.817 -2.393 2.624 + 1232TIP3 H243288 2.842 -2.516 2.542 + 1232TIP3 OH243289 1.550 -2.623 2.385 + 1232TIP3 H143290 1.548 -2.673 2.470 + 1232TIP3 H243291 1.625 -2.667 2.341 + 1232TIP3 OH243292 1.751 -2.747 2.230 + 1232TIP3 H143293 1.736 -2.841 2.255 + 1232TIP3 H243294 1.843 -2.733 2.260 + 1232TIP3 OH243295 2.028 -2.701 2.317 + 1232TIP3 H143296 2.046 -2.794 2.295 + 1232TIP3 H243297 2.034 -2.705 2.414 + 1233TIP3 OH243298 2.357 -4.108 2.251 + 1233TIP3 H143299 2.288 -4.172 2.277 + 1233TIP3 H243300 2.405 -4.156 2.182 + 1233TIP3 OH243301 2.884 -4.328 2.294 + 1233TIP3 H143302 2.944 -4.289 2.228 + 1233TIP3 H243303 2.797 -4.306 2.258 + 1233TIP3 OH243304 3.084 -4.226 2.077 + 1233TIP3 H143305 3.134 -4.246 1.997 + 1233TIP3 H243306 3.099 -4.130 2.086 + 1233TIP3 OH243307 1.590 -4.280 1.976 + 1233TIP3 H143308 1.500 -4.310 1.959 + 1233TIP3 H243309 1.632 -4.358 2.014 + 1233TIP3 OH243310 1.448 -4.291 1.602 + 1233TIP3 H143311 1.498 -4.243 1.532 + 1233TIP3 H243312 1.417 -4.217 1.657 + 1233TIP3 OH243313 2.055 -4.248 1.983 + 1233TIP3 H143314 2.150 -4.229 1.993 + 1233TIP3 H243315 2.030 -4.288 2.067 + 1233TIP3 OH243316 2.607 -4.267 2.145 + 1233TIP3 H143317 2.627 -4.259 2.052 + 1233TIP3 H243318 2.582 -4.360 2.155 + 1233TIP3 OH243319 2.709 -4.273 1.736 + 1233TIP3 H143320 2.634 -4.212 1.719 + 1233TIP3 H243321 2.667 -4.359 1.734 + 1233TIP3 OH243322 1.492 -2.696 1.708 + 1233TIP3 H143323 1.431 -2.707 1.634 + 1233TIP3 H243324 1.492 -2.600 1.715 + 1233TIP3 OH243325 1.644 -4.126 1.447 + 1233TIP3 H143326 1.715 -4.160 1.390 + 1233TIP3 H243327 1.696 -4.075 1.513 + 1234TIP3 OH243328 2.170 -4.059 1.673 + 1234TIP3 H143329 2.174 -4.146 1.718 + 1234TIP3 H243330 2.180 -3.994 1.744 + 1234TIP3 OH243331 2.362 -2.514 1.521 + 1234TIP3 H143332 2.460 -2.512 1.515 + 1234TIP3 H243333 2.341 -2.578 1.452 + 1234TIP3 OH243334 3.014 -2.611 1.778 + 1234TIP3 H143335 2.989 -2.695 1.735 + 1234TIP3 H243336 3.006 -2.549 1.703 + 1234TIP3 OH243337 1.552 -4.180 2.928 + 1234TIP3 H143338 1.513 -4.259 2.968 + 1234TIP3 H243339 1.641 -4.214 2.909 + 1234TIP3 OH243340 1.849 -4.278 3.190 + 1234TIP3 H143341 1.935 -4.306 3.151 + 1234TIP3 H243342 1.823 -4.358 3.237 + 1234TIP3 OH243343 1.636 -2.605 1.388 + 1234TIP3 H143344 1.615 -2.572 1.476 + 1234TIP3 H243345 1.716 -2.657 1.402 + 1234TIP3 OH243346 2.961 -2.718 3.026 + 1234TIP3 H143347 2.891 -2.728 2.960 + 1234TIP3 H243348 2.977 -2.622 3.025 + 1234TIP3 OH243349 4.213 -3.458 2.344 + 1234TIP3 H143350 4.291 -3.430 2.395 + 1234TIP3 H243351 4.248 -3.459 2.254 + 1234TIP3 OH243352 3.514 -3.464 2.505 + 1234TIP3 H143353 3.515 -3.539 2.567 + 1234TIP3 H243354 3.588 -3.410 2.539 + 1234TIP3 OH243355 3.582 -2.999 2.352 + 1234TIP3 H143356 3.557 -3.091 2.328 + 1234TIP3 H243357 3.674 -3.013 2.377 + 1235TIP3 OH243358 3.279 -3.662 1.893 + 1235TIP3 H143359 3.241 -3.573 1.901 + 1235TIP3 H243360 3.207 -3.710 1.852 + 1235TIP3 OH243361 3.361 -3.414 2.078 + 1235TIP3 H143362 3.375 -3.497 2.127 + 1235TIP3 H243363 3.445 -3.404 2.031 + 1235TIP3 OH243364 4.120 -3.171 2.404 + 1235TIP3 H143365 4.146 -3.245 2.347 + 1235TIP3 H243366 4.204 -3.151 2.447 + 1235TIP3 OH243367 3.742 -3.941 2.155 + 1235TIP3 H143368 3.759 -3.856 2.110 + 1235TIP3 H243369 3.708 -3.993 2.079 + 1235TIP3 OH243370 3.411 -3.663 2.202 + 1235TIP3 H143371 3.473 -3.711 2.259 + 1235TIP3 H243372 3.420 -3.712 2.119 + 1235TIP3 OH243373 3.951 -3.529 2.151 + 1235TIP3 H143374 4.027 -3.580 2.185 + 1235TIP3 H243375 3.902 -3.598 2.103 + 1235TIP3 OH243376 3.620 -4.056 2.573 + 1235TIP3 H143377 3.588 -4.002 2.499 + 1235TIP3 H243378 3.553 -4.033 2.641 + 1235TIP3 OH243379 3.915 -3.275 2.583 + 1235TIP3 H143380 3.843 -3.214 2.607 + 1235TIP3 H243381 3.981 -3.215 2.544 + 1235TIP3 OH243382 3.584 -3.856 2.364 + 1235TIP3 H143383 3.647 -3.795 2.407 + 1235TIP3 H243384 3.640 -3.890 2.291 + 1235TIP3 OH243385 3.715 -3.084 2.653 + 1235TIP3 H143386 3.714 -2.991 2.622 + 1235TIP3 H243387 3.628 -3.086 2.697 + 1236TIP3 OH243388 3.348 -3.112 1.741 + 1236TIP3 H143389 3.327 -3.062 1.661 + 1236TIP3 H243390 3.364 -3.042 1.808 + 1236TIP3 OH243391 4.046 4.379 2.291 + 1236TIP3 H143392 4.045 4.283 2.306 + 1236TIP3 H243393 3.960 4.410 2.325 + 1236TIP3 OH243394 4.264 -3.433 1.743 + 1236TIP3 H143395 4.199 -3.361 1.732 + 1236TIP3 H243396 4.334 -3.403 1.685 + 1236TIP3 OH243397 4.287 -3.582 1.464 + 1236TIP3 H143398 4.369 -3.582 1.516 + 1236TIP3 H243399 4.297 -3.660 1.408 + 1236TIP3 OH243400 3.758 -3.339 2.042 + 1236TIP3 H143401 3.728 -3.382 1.960 + 1236TIP3 H243402 3.823 -3.403 2.075 + 1236TIP3 OH243403 3.898 -2.999 2.316 + 1236TIP3 H143404 3.888 -3.040 2.229 + 1236TIP3 H243405 3.977 -3.045 2.351 + 1236TIP3 OH243406 3.816 -3.457 2.390 + 1236TIP3 H143407 3.876 -3.458 2.312 + 1236TIP3 H243408 3.858 -3.391 2.448 + 1236TIP3 OH243409 3.902 -3.023 2.873 + 1236TIP3 H143410 3.851 -2.955 2.921 + 1236TIP3 H243411 3.840 -3.048 2.803 + 1236TIP3 OH243412 3.595 -3.390 2.790 + 1236TIP3 H143413 3.600 -3.327 2.864 + 1236TIP3 H243414 3.500 -3.395 2.774 + 1236TIP3 OH243415 4.251 -2.815 1.960 + 1236TIP3 H143416 4.299 -2.765 2.028 + 1236TIP3 H243417 4.199 -2.745 1.918 + 1237TIP3 OH243418 3.714 -2.811 2.954 + 1237TIP3 H143419 3.702 -2.802 2.857 + 1237TIP3 H243420 3.622 -2.825 2.984 + 1237TIP3 OH243421 3.649 -3.463 1.796 + 1237TIP3 H143422 3.630 -3.387 1.738 + 1237TIP3 H243423 3.583 -3.527 1.766 + 1237TIP3 OH243424 3.257 -3.195 2.666 + 1237TIP3 H143425 3.213 -3.194 2.579 + 1237TIP3 H243426 3.269 -3.291 2.682 + 1237TIP3 OH243427 3.262 -2.902 2.359 + 1237TIP3 H143428 3.354 -2.930 2.368 + 1237TIP3 H243429 3.253 -2.842 2.434 + 1237TIP3 OH243430 4.173 -2.921 2.823 + 1237TIP3 H143431 4.180 -2.832 2.861 + 1237TIP3 H243432 4.082 -2.948 2.845 + 1237TIP3 OH243433 4.176 -2.533 1.811 + 1237TIP3 H143434 4.207 -2.538 1.720 + 1237TIP3 H243435 4.212 -2.450 1.844 + 1237TIP3 OH243436 3.573 -2.622 1.979 + 1237TIP3 H143437 3.589 -2.669 2.063 + 1237TIP3 H243438 3.492 -2.665 1.948 + 1237TIP3 OH243439 3.477 -3.044 2.789 + 1237TIP3 H143440 3.500 -3.089 2.872 + 1237TIP3 H243441 3.399 -3.093 2.758 + 1237TIP3 OH243442 3.795 -4.219 2.382 + 1237TIP3 H143443 3.711 -4.238 2.339 + 1237TIP3 H243444 3.776 -4.135 2.425 + 1237TIP3 OH243445 4.223 -4.291 2.743 + 1237TIP3 H143446 4.251 -4.356 2.812 + 1237TIP3 H243447 4.131 -4.279 2.768 + 1238TIP3 OH243448 4.227 -3.991 1.464 + 1238TIP3 H143449 4.161 -4.003 1.534 + 1238TIP3 H243450 4.189 -4.050 1.396 + 1238TIP3 OH243451 3.778 -3.714 2.509 + 1238TIP3 H143452 3.718 -3.701 2.584 + 1238TIP3 H243453 3.788 -3.624 2.473 + 1238TIP3 OH243454 3.774 -3.711 1.999 + 1238TIP3 H143455 3.679 -3.717 1.982 + 1238TIP3 H243456 3.809 -3.726 1.909 + 1238TIP3 OH243457 4.293 -3.682 1.887 + 1238TIP3 H143458 4.266 -3.589 1.875 + 1238TIP3 H243459 4.317 -3.707 1.798 + 1238TIP3 OH243460 4.250 -3.626 3.029 + 1238TIP3 H143461 4.193 -3.706 3.041 + 1238TIP3 H243462 4.337 -3.670 3.032 + 1238TIP3 OH243463 3.517 -3.697 2.692 + 1238TIP3 H143464 3.547 -3.669 2.780 + 1238TIP3 H243465 3.478 -3.784 2.712 + 1238TIP3 OH243466 3.861 -3.939 1.352 + 1238TIP3 H143467 3.821 -3.978 1.431 + 1238TIP3 H243468 3.784 -3.924 1.294 + 1238TIP3 OH243469 3.197 -3.956 2.057 + 1238TIP3 H143470 3.255 -3.957 2.135 + 1238TIP3 H243471 3.252 -3.993 1.987 + 1238TIP3 OH243472 3.358 -3.910 1.629 + 1238TIP3 H143473 3.411 -3.860 1.564 + 1238TIP3 H243474 3.286 -3.847 1.646 + 1238TIP3 OH243475 4.350 -3.572 2.634 + 1238TIP3 H143476 4.380 -3.638 2.567 + 1238TIP3 H243477 4.272 -3.617 2.669 + 1239TIP3 OH243478 4.047 -3.972 2.097 + 1239TIP3 H143479 3.955 -3.963 2.126 + 1239TIP3 H243480 4.095 -3.957 2.180 + 1239TIP3 OH243481 3.507 -3.827 1.968 + 1239TIP3 H143482 3.427 -3.798 1.921 + 1239TIP3 H243483 3.535 -3.908 1.920 + 1239TIP3 OH243484 3.865 -3.791 1.736 + 1239TIP3 H143485 3.961 -3.788 1.741 + 1239TIP3 H243486 3.843 -3.731 1.662 + 1239TIP3 OH243487 3.722 -3.670 1.511 + 1239TIP3 H143488 3.662 -3.694 1.439 + 1239TIP3 H243489 3.804 -3.653 1.461 + 1239TIP3 OH243490 3.576 -3.204 3.014 + 1239TIP3 H143491 3.648 -3.193 3.079 + 1239TIP3 H243492 3.501 -3.176 3.068 + 1239TIP3 OH243493 4.141 -3.736 2.239 + 1239TIP3 H143494 4.220 -3.770 2.197 + 1239TIP3 H243495 4.164 -3.743 2.333 + 1239TIP3 OH243496 3.668 -4.066 1.907 + 1239TIP3 H143497 3.622 -4.152 1.917 + 1239TIP3 H243498 3.750 -4.092 1.864 + 1239TIP3 OH243499 4.048 -3.859 2.513 + 1239TIP3 H143500 3.979 -3.792 2.496 + 1239TIP3 H243501 4.101 -3.816 2.582 + 1239TIP3 OH243502 4.073 -3.225 1.701 + 1239TIP3 H143503 3.995 -3.271 1.664 + 1239TIP3 H243504 4.049 -3.214 1.796 + 1239TIP3 OH243505 4.205 -3.224 2.824 + 1239TIP3 H143506 4.184 -3.233 2.917 + 1239TIP3 H243507 4.214 -3.128 2.812 + 1240TIP3 OH243508 3.579 -3.271 2.279 + 1240TIP3 H143509 3.635 -3.281 2.200 + 1240TIP3 H243510 3.590 -3.357 2.322 + 1240TIP3 OH243511 4.287 -3.082 1.597 + 1240TIP3 H143512 4.260 -2.993 1.627 + 1240TIP3 H243513 4.211 -3.135 1.629 + 1240TIP3 OH243514 3.305 -3.443 2.803 + 1240TIP3 H143515 3.326 -3.491 2.885 + 1240TIP3 H243516 3.247 -3.504 2.754 + 1240TIP3 OH243517 4.001 -3.494 3.007 + 1240TIP3 H143518 3.967 -3.523 2.921 + 1240TIP3 H243519 4.096 -3.518 2.999 + 1240TIP3 OH243520 3.815 -2.943 2.003 + 1240TIP3 H143521 3.858 -2.857 1.992 + 1240TIP3 H243522 3.723 -2.922 1.982 + 1240TIP3 OH243523 3.415 -3.463 1.466 + 1240TIP3 H143524 3.473 -3.394 1.505 + 1240TIP3 H243525 3.328 -3.435 1.498 + 1240TIP3 OH243526 3.994 -3.174 1.964 + 1240TIP3 H143527 3.968 -3.082 1.980 + 1240TIP3 H243528 3.923 -3.223 2.008 + 1240TIP3 OH243529 4.020 -2.743 2.606 + 1240TIP3 H143530 4.078 -2.672 2.572 + 1240TIP3 H243531 4.083 -2.796 2.655 + 1240TIP3 OH243532 3.859 -2.652 1.924 + 1240TIP3 H143533 3.764 -2.637 1.936 + 1240TIP3 H243534 3.896 -2.565 1.949 + 1240TIP3 OH243535 3.435 -3.959 2.768 + 1240TIP3 H143536 3.344 -3.941 2.736 + 1240TIP3 H243537 3.420 -4.046 2.810 + 1241TIP3 OH243538 3.416 -2.802 2.604 + 1241TIP3 H143539 3.442 -2.892 2.627 + 1241TIP3 H243540 3.424 -2.759 2.691 + 1241TIP3 OH243541 3.993 -2.933 1.309 + 1241TIP3 H143542 4.029 -3.008 1.258 + 1241TIP3 H243543 3.957 -2.978 1.387 + 1241TIP3 OH243544 3.885 -2.990 1.584 + 1241TIP3 H143545 3.934 -3.041 1.651 + 1241TIP3 H243546 3.899 -2.898 1.614 + 1241TIP3 OH243547 3.566 -3.241 1.619 + 1241TIP3 H143548 3.493 -3.203 1.672 + 1241TIP3 H243549 3.614 -3.161 1.591 + 1241TIP3 OH243550 4.329 -3.932 2.679 + 1241TIP3 H143551 4.393 -4.004 2.667 + 1241TIP3 H243552 4.268 -3.960 2.609 + 1241TIP3 OH243553 4.169 -2.823 1.637 + 1241TIP3 H143554 4.088 -2.772 1.657 + 1241TIP3 H243555 4.209 -2.770 1.568 + 1241TIP3 OH243556 4.118 -3.879 1.847 + 1241TIP3 H143557 4.186 -3.813 1.872 + 1241TIP3 H243558 4.085 -3.900 1.937 + 1241TIP3 OH243559 4.149 -3.762 2.775 + 1241TIP3 H143560 4.185 -3.704 2.842 + 1241TIP3 H243561 4.220 -3.828 2.762 + 1241TIP3 OH243562 4.200 -4.171 1.968 + 1241TIP3 H143563 4.172 -4.085 2.007 + 1241TIP3 H243564 4.272 -4.145 1.908 + 1241TIP3 OH243565 3.894 -2.717 1.641 + 1241TIP3 H143566 3.890 -2.635 1.589 + 1241TIP3 H243567 3.882 -2.683 1.732 + 1242TIP3 OH243568 3.766 -4.051 1.595 + 1242TIP3 H143569 3.767 -3.967 1.645 + 1242TIP3 H243570 3.856 -4.083 1.614 + 1242TIP3 OH243571 3.611 -2.959 1.495 + 1242TIP3 H143572 3.685 -2.912 1.537 + 1242TIP3 H243573 3.660 -3.011 1.429 + 1242TIP3 OH243574 3.423 -3.745 1.408 + 1242TIP3 H143575 3.435 -3.650 1.430 + 1242TIP3 H243576 3.338 -3.744 1.363 + 1242TIP3 OH243577 3.443 -4.241 2.306 + 1242TIP3 H143578 3.476 -4.241 2.215 + 1242TIP3 H243579 3.459 -4.335 2.328 + 1242TIP3 OH243580 3.405 -2.890 1.913 + 1242TIP3 H143581 3.328 -2.838 1.940 + 1242TIP3 H243582 3.441 -2.836 1.841 + 1242TIP3 OH243583 3.376 -2.630 3.018 + 1242TIP3 H143584 3.391 -2.613 3.112 + 1242TIP3 H243585 3.286 -2.665 3.016 + 1242TIP3 OH243586 3.815 -2.693 3.208 + 1242TIP3 H143587 3.883 -2.760 3.227 + 1242TIP3 H243588 3.791 -2.718 3.117 + 1242TIP3 OH243589 4.230 -2.768 1.342 + 1242TIP3 H143590 4.147 -2.821 1.341 + 1242TIP3 H243591 4.294 -2.840 1.327 + 1242TIP3 OH243592 3.315 -3.247 3.150 + 1242TIP3 H143593 3.349 -3.322 3.100 + 1242TIP3 H243594 3.256 -3.204 3.085 + 1242TIP3 OH243595 3.763 -3.192 1.342 + 1242TIP3 H143596 3.780 -3.252 1.417 + 1242TIP3 H243597 3.848 -3.196 1.295 + 1243TIP3 OH243598 4.008 -3.214 3.073 + 1243TIP3 H143599 3.979 -3.181 2.986 + 1243TIP3 H243600 4.015 -3.310 3.058 + 1243TIP3 OH243601 4.260 -3.060 1.298 + 1243TIP3 H143602 4.278 -3.050 1.393 + 1243TIP3 H243603 4.244 -3.155 1.291 + 1243TIP3 OH243604 3.411 -3.533 3.063 + 1243TIP3 H143605 3.492 -3.586 3.055 + 1243TIP3 H243606 3.422 -3.499 3.153 + 1243TIP3 OH243607 3.870 -3.386 1.573 + 1243TIP3 H143608 3.809 -3.437 1.628 + 1243TIP3 H243609 3.902 -3.455 1.512 + 1243TIP3 OH243610 3.795 -3.605 2.803 + 1243TIP3 H143611 3.739 -3.526 2.818 + 1243TIP3 H243612 3.854 -3.574 2.733 + 1243TIP3 OH243613 3.978 -3.585 1.404 + 1243TIP3 H143614 3.969 -3.579 1.308 + 1243TIP3 H243615 4.074 -3.573 1.415 + 1243TIP3 OH243616 4.284 -3.359 3.172 + 1243TIP3 H143617 4.355 -3.390 3.115 + 1243TIP3 H243618 4.266 -3.439 3.224 + 1243TIP3 OH243619 3.851 -3.880 2.915 + 1243TIP3 H143620 3.865 -3.943 2.842 + 1243TIP3 H243621 3.840 -3.797 2.866 + 1243TIP3 OH243622 3.890 -4.037 2.652 + 1243TIP3 H143623 3.943 -3.978 2.593 + 1243TIP3 H243624 3.799 -4.023 2.619 + 1243TIP3 OH243625 4.066 -3.493 2.690 + 1243TIP3 H143626 4.136 -3.492 2.624 + 1243TIP3 H243627 4.029 -3.404 2.678 + 1244TIP3 OH243628 3.666 -3.695 3.093 + 1244TIP3 H143629 3.621 -3.782 3.093 + 1244TIP3 H243630 3.749 -3.717 3.049 + 1244TIP3 OH243631 3.932 -4.273 2.778 + 1244TIP3 H143632 3.950 -4.186 2.737 + 1244TIP3 H243633 3.839 -4.281 2.753 + 1244TIP3 OH243634 4.105 -3.855 3.069 + 1244TIP3 H143635 4.070 -3.886 3.154 + 1244TIP3 H243636 4.030 -3.876 3.011 + 1244TIP3 OH243637 3.549 -3.956 3.083 + 1244TIP3 H143638 3.525 -4.016 3.010 + 1244TIP3 H243639 3.506 -3.998 3.159 + 1244TIP3 OH243640 4.051 -4.153 3.183 + 1244TIP3 H143641 4.027 -4.234 3.134 + 1244TIP3 H243642 3.969 -4.102 3.183 + 1244TIP3 OH243643 3.955 -2.459 1.514 + 1244TIP3 H143644 4.051 -2.458 1.520 + 1244TIP3 H243645 3.941 -2.417 1.429 + 1244TIP3 OH243646 3.334 -3.020 1.464 + 1244TIP3 H143647 3.430 -3.002 1.478 + 1244TIP3 H243648 3.336 -3.099 1.407 + 1244TIP3 OH243649 3.233 -2.500 1.938 + 1244TIP3 H143650 3.162 -2.538 1.884 + 1244TIP3 H243651 3.243 -2.569 2.007 + 1244TIP3 OH243652 3.273 -2.698 2.136 + 1244TIP3 H143653 3.243 -2.785 2.168 + 1244TIP3 H243654 3.305 -2.662 2.220 + 1244TIP3 OH243655 3.280 -3.368 2.377 + 1244TIP3 H143656 3.304 -3.359 2.284 + 1244TIP3 H243657 3.368 -3.386 2.417 + 1245TIP3 OH243658 3.258 -3.825 3.041 + 1245TIP3 H143659 3.348 -3.841 3.010 + 1245TIP3 H243660 3.216 -3.911 3.024 + 1245TIP3 OH243661 3.341 -3.991 2.299 + 1245TIP3 H143662 3.374 -4.083 2.309 + 1245TIP3 H243663 3.417 -3.940 2.333 + 1245TIP3 OH243664 3.203 -3.729 2.402 + 1245TIP3 H143665 3.260 -3.735 2.323 + 1245TIP3 H243666 3.241 -3.652 2.446 + 1245TIP3 OH243667 3.256 -4.102 1.806 + 1245TIP3 H143668 3.161 -4.094 1.786 + 1245TIP3 H243669 3.296 -4.034 1.748 + 1245TIP3 OH243670 3.230 -4.124 2.661 + 1245TIP3 H143671 3.234 -4.218 2.686 + 1245TIP3 H243672 3.214 -4.131 2.566 + 1245TIP3 OH243673 3.443 -2.928 3.094 + 1245TIP3 H143674 3.388 -2.888 3.024 + 1245TIP3 H243675 3.413 -2.881 3.172 + 1245TIP3 OH243676 3.742 -2.799 2.657 + 1245TIP3 H143677 3.707 -2.714 2.624 + 1245TIP3 H243678 3.837 -2.786 2.639 + 1245TIP3 OH243679 4.220 -2.634 2.947 + 1245TIP3 H143680 4.204 -2.671 3.035 + 1245TIP3 H243681 4.314 -2.613 2.953 + 1245TIP3 OH243682 3.472 -2.498 2.684 + 1245TIP3 H143683 3.402 -2.440 2.649 + 1245TIP3 H243684 3.448 -2.499 2.777 + 1245TIP3 OH243685 3.727 -2.521 2.549 + 1245TIP3 H143686 3.641 -2.507 2.593 + 1245TIP3 H243687 3.726 -2.454 2.480 + 1246TIP3 OH243688 4.196 -2.548 2.503 + 1246TIP3 H143689 4.178 -2.499 2.421 + 1246TIP3 H243690 4.258 -2.490 2.549 + 1246TIP3 OH243691 3.437 -2.621 2.383 + 1246TIP3 H143692 3.432 -2.668 2.470 + 1246TIP3 H243693 3.511 -2.668 2.342 + 1246TIP3 OH243694 3.638 -2.748 2.227 + 1246TIP3 H143695 3.621 -2.841 2.255 + 1246TIP3 H243696 3.728 -2.734 2.261 + 1246TIP3 OH243697 3.912 -2.699 2.318 + 1246TIP3 H143698 3.934 -2.791 2.295 + 1246TIP3 H243699 3.921 -2.702 2.414 + 1246TIP3 OH243700 4.255 -4.141 2.255 + 1246TIP3 H143701 4.179 -4.199 2.270 + 1246TIP3 H243702 4.291 -4.176 2.173 + 1246TIP3 OH243703 3.478 -4.283 1.980 + 1246TIP3 H143704 3.387 -4.306 1.957 + 1246TIP3 H243705 3.512 -4.366 2.016 + 1246TIP3 OH243706 3.338 -4.291 1.603 + 1246TIP3 H143707 3.382 -4.243 1.531 + 1246TIP3 H243708 3.299 -4.217 1.653 + 1246TIP3 OH243709 3.937 -4.252 1.981 + 1246TIP3 H143710 4.030 -4.224 1.991 + 1246TIP3 H243711 3.919 -4.288 2.069 + 1246TIP3 OH243712 3.381 -2.696 1.707 + 1246TIP3 H143713 3.316 -2.709 1.637 + 1246TIP3 H243714 3.377 -2.600 1.716 + 1246TIP3 OH243715 3.528 -4.128 1.447 + 1246TIP3 H143716 3.598 -4.161 1.388 + 1246TIP3 H243717 3.581 -4.074 1.509 + 1247TIP3 OH243718 4.050 -4.071 1.670 + 1247TIP3 H143719 4.065 -4.153 1.720 + 1247TIP3 H243720 4.062 -4.002 1.739 + 1247TIP3 OH243721 4.262 -2.530 1.515 + 1247TIP3 H143722 4.351 -2.495 1.499 + 1247TIP3 H243723 4.250 -2.592 1.441 + 1247TIP3 OH243724 3.439 -4.180 2.925 + 1247TIP3 H143725 3.397 -4.261 2.957 + 1247TIP3 H243726 3.529 -4.214 2.911 + 1247TIP3 OH243727 3.731 -4.278 3.191 + 1247TIP3 H143728 3.818 -4.305 3.154 + 1247TIP3 H243729 3.706 -4.358 3.239 + 1247TIP3 OH243730 3.526 -2.597 1.388 + 1247TIP3 H143731 3.499 -2.577 1.478 + 1247TIP3 H243732 3.599 -2.660 1.402 + 1247TIP3 OH243733 -3.159 -1.480 2.030 + 1247TIP3 H143734 -3.164 -1.383 2.035 + 1247TIP3 H243735 -3.235 -1.500 1.973 + 1247TIP3 OH243736 -3.273 -1.537 2.338 + 1247TIP3 H143737 -3.276 -1.595 2.415 + 1247TIP3 H243738 -3.300 -1.598 2.267 + 1247TIP3 OH243739 -4.027 -1.577 2.501 + 1247TIP3 H143740 -4.031 -1.650 2.565 + 1247TIP3 H243741 -3.957 -1.522 2.540 + 1247TIP3 OH243742 -2.904 -1.253 2.171 + 1247TIP3 H143743 -2.940 -1.331 2.215 + 1247TIP3 H243744 -2.879 -1.198 2.246 + 1247TIP3 OH243745 -3.952 -1.115 2.359 + 1247TIP3 H143746 -3.977 -1.208 2.343 + 1247TIP3 H243747 -3.862 -1.124 2.393 + 1248TIP3 OH243748 -4.215 -1.740 1.767 + 1248TIP3 H143749 -4.239 -1.664 1.821 + 1248TIP3 H243750 -4.296 -1.793 1.773 + 1248TIP3 OH243751 -4.206 -1.547 2.052 + 1248TIP3 H143752 -4.185 -1.600 2.130 + 1248TIP3 H243753 -4.126 -1.495 2.040 + 1248TIP3 OH243754 -3.171 -0.747 2.211 + 1248TIP3 H143755 -3.126 -0.832 2.214 + 1248TIP3 H243756 -3.218 -0.747 2.296 + 1248TIP3 OH243757 -3.433 -1.293 2.397 + 1248TIP3 H143758 -3.398 -1.364 2.341 + 1248TIP3 H243759 -3.355 -1.276 2.453 + 1248TIP3 OH243760 -2.561 -2.133 2.457 + 1248TIP3 H143761 -2.533 -2.073 2.528 + 1248TIP3 H243762 -2.499 -2.108 2.386 + 1248TIP3 OH243763 -3.098 -1.851 2.445 + 1248TIP3 H143764 -3.083 -1.947 2.451 + 1248TIP3 H243765 -3.105 -1.839 2.349 + 1248TIP3 OH243766 -3.800 -2.052 2.152 + 1248TIP3 H143767 -3.784 -1.967 2.106 + 1248TIP3 H243768 -3.834 -2.105 2.078 + 1248TIP3 OH243769 -3.014 -2.033 1.985 + 1248TIP3 H143770 -2.955 -2.076 2.051 + 1248TIP3 H243771 -2.948 -1.991 1.928 + 1248TIP3 OH243772 -4.140 -1.782 2.207 + 1248TIP3 H143773 -4.077 -1.819 2.271 + 1248TIP3 H243774 -4.117 -1.833 2.127 + 1248TIP3 OH243775 -3.594 -1.640 2.152 + 1248TIP3 H143776 -3.523 -1.694 2.191 + 1248TIP3 H243777 -3.644 -1.706 2.102 + 1249TIP3 OH243778 -2.487 -1.997 2.706 + 1249TIP3 H143779 -2.546 -1.925 2.677 + 1249TIP3 H243780 -2.507 -2.000 2.800 + 1249TIP3 OH243781 -3.918 -2.169 2.569 + 1249TIP3 H143782 -3.964 -2.126 2.496 + 1249TIP3 H243783 -3.981 -2.153 2.642 + 1249TIP3 OH243784 -3.177 -1.201 1.910 + 1249TIP3 H143785 -3.198 -1.225 1.819 + 1249TIP3 H243786 -3.220 -1.115 1.921 + 1249TIP3 OH243787 -3.662 -1.353 2.588 + 1249TIP3 H143788 -3.726 -1.289 2.623 + 1249TIP3 H243789 -3.594 -1.294 2.554 + 1249TIP3 OH243790 -2.832 -2.110 2.187 + 1249TIP3 H143791 -2.869 -2.171 2.252 + 1249TIP3 H243792 -2.778 -2.052 2.243 + 1249TIP3 OH243793 -3.958 -1.963 2.360 + 1249TIP3 H143794 -3.893 -1.908 2.408 + 1249TIP3 H243795 -3.900 -2.001 2.290 + 1249TIP3 OH243796 -4.184 -1.237 1.746 + 1249TIP3 H143797 -4.263 -1.215 1.692 + 1249TIP3 H243798 -4.189 -1.171 1.818 + 1249TIP3 OH243799 -2.848 -1.013 2.346 + 1249TIP3 H143800 -2.933 -1.037 2.391 + 1249TIP3 H243801 -2.805 -0.962 2.416 + 1249TIP3 OH243802 -2.818 -2.194 2.572 + 1249TIP3 H143803 -2.895 -2.157 2.525 + 1249TIP3 H243804 -2.746 -2.176 2.510 + 1249TIP3 OH243805 -3.505 -2.424 2.277 + 1249TIP3 H143806 -3.528 -2.518 2.271 + 1249TIP3 H243807 -3.588 -2.386 2.314 + 1250TIP3 OH243808 -2.882 -1.062 1.967 + 1250TIP3 H143809 -2.907 -1.097 1.879 + 1250TIP3 H243810 -2.897 -1.143 2.020 + 1250TIP3 OH243811 -2.725 -1.215 2.786 + 1250TIP3 H143812 -2.731 -1.284 2.716 + 1250TIP3 H243813 -2.698 -1.136 2.737 + 1250TIP3 OH243814 -3.295 -1.527 1.756 + 1250TIP3 H143815 -3.361 -1.470 1.714 + 1250TIP3 H243816 -3.223 -1.525 1.690 + 1250TIP3 OH243817 -3.267 -1.712 1.465 + 1250TIP3 H143818 -3.195 -1.678 1.521 + 1250TIP3 H243819 -3.217 -1.767 1.404 + 1250TIP3 OH243820 -2.546 -1.603 2.581 + 1250TIP3 H143821 -2.617 -1.536 2.590 + 1250TIP3 H243822 -2.498 -1.569 2.503 + 1250TIP3 OH243823 -2.944 -1.528 1.862 + 1250TIP3 H143824 -3.013 -1.509 1.929 + 1250TIP3 H243825 -2.884 -1.586 1.912 + 1250TIP3 OH243826 -2.961 -1.674 2.746 + 1250TIP3 H143827 -2.956 -1.593 2.798 + 1250TIP3 H243828 -3.028 -1.647 2.682 + 1250TIP3 OH243829 -3.780 -1.450 2.039 + 1250TIP3 H143830 -3.815 -1.495 1.959 + 1250TIP3 H243831 -3.718 -1.516 2.075 + 1250TIP3 OH243832 -3.645 -1.110 2.308 + 1250TIP3 H143833 -3.655 -1.157 2.224 + 1250TIP3 H243834 -3.571 -1.159 2.350 + 1250TIP3 OH243835 -3.724 -1.561 2.397 + 1250TIP3 H143836 -3.664 -1.557 2.320 + 1250TIP3 H243837 -3.689 -1.490 2.455 + 1251TIP3 OH243838 -3.110 -1.023 2.448 + 1251TIP3 H143839 -3.133 -0.954 2.514 + 1251TIP3 H243840 -3.150 -1.102 2.488 + 1251TIP3 OH243841 -3.049 -1.577 1.603 + 1251TIP3 H143842 -2.999 -1.556 1.685 + 1251TIP3 H243843 -2.994 -1.533 1.534 + 1251TIP3 OH243844 -3.956 -1.516 2.794 + 1251TIP3 H143845 -3.943 -1.445 2.860 + 1251TIP3 H243846 -4.051 -1.506 2.778 + 1251TIP3 OH243847 -3.274 -0.909 1.964 + 1251TIP3 H143848 -3.273 -0.881 2.056 + 1251TIP3 H243849 -3.348 -0.856 1.929 + 1251TIP3 OH243850 -2.705 -2.411 1.559 + 1251TIP3 H143851 -2.791 -2.399 1.602 + 1251TIP3 H243852 -2.668 -2.321 1.561 + 1251TIP3 OH243853 -3.894 -1.578 1.796 + 1251TIP3 H143854 -3.914 -1.502 1.739 + 1251TIP3 H243855 -3.961 -1.643 1.767 + 1251TIP3 OH243856 -4.273 -1.291 2.651 + 1251TIP3 H143857 -4.291 -1.325 2.562 + 1251TIP3 H243858 -4.296 -1.367 2.707 + 1251TIP3 OH243859 -4.281 -1.015 2.344 + 1251TIP3 H143860 -4.198 -1.059 2.367 + 1251TIP3 H243861 -4.300 -0.968 2.426 + 1251TIP3 OH243862 -2.444 -0.956 2.936 + 1251TIP3 H143863 -2.453 -1.052 2.922 + 1251TIP3 H243864 -2.534 -0.933 2.967 + 1251TIP3 OH243865 -3.391 -1.047 2.821 + 1251TIP3 H143866 -3.383 -0.953 2.845 + 1251TIP3 H243867 -3.488 -1.044 2.801 + 1252TIP3 OH243868 -3.364 -0.641 1.819 + 1252TIP3 H143869 -3.347 -0.650 1.725 + 1252TIP3 H243870 -3.334 -0.552 1.841 + 1252TIP3 OH243871 -3.976 -0.740 1.980 + 1252TIP3 H143872 -3.951 -0.783 2.064 + 1252TIP3 H243873 -4.055 -0.792 1.958 + 1252TIP3 OH243874 -3.007 -0.741 1.506 + 1252TIP3 H143875 -2.969 -0.818 1.461 + 1252TIP3 H243876 -3.002 -0.770 1.599 + 1252TIP3 OH243877 -3.071 -0.758 1.812 + 1252TIP3 H143878 -3.167 -0.759 1.826 + 1252TIP3 H243879 -3.049 -0.841 1.854 + 1252TIP3 OH243880 -2.765 -1.820 2.978 + 1252TIP3 H143881 -2.815 -1.782 2.905 + 1252TIP3 H243882 -2.759 -1.914 2.950 + 1252TIP3 OH243883 -4.034 -1.172 2.748 + 1252TIP3 H143884 -4.005 -1.191 2.839 + 1252TIP3 H243885 -4.122 -1.211 2.740 + 1252TIP3 OH243886 -3.748 -2.309 2.368 + 1252TIP3 H143887 -3.830 -2.317 2.317 + 1252TIP3 H243888 -3.772 -2.235 2.427 + 1252TIP3 OH243889 -3.311 -2.349 2.736 + 1252TIP3 H143890 -3.258 -2.405 2.796 + 1252TIP3 H243891 -3.401 -2.385 2.744 + 1252TIP3 OH243892 -2.994 -1.971 2.784 + 1252TIP3 H143893 -3.055 -1.987 2.858 + 1252TIP3 H243894 -3.002 -1.875 2.769 + 1252TIP3 OH243895 -2.880 -1.479 1.398 + 1252TIP3 H143896 -2.897 -1.498 1.304 + 1252TIP3 H243897 -2.788 -1.451 1.396 + 1253TIP3 OH243898 -3.333 -2.097 1.459 + 1253TIP3 H143899 -3.379 -2.115 1.542 + 1253TIP3 H243900 -3.370 -2.167 1.402 + 1253TIP3 OH243901 -3.763 -1.827 2.508 + 1253TIP3 H143902 -3.821 -1.817 2.585 + 1253TIP3 H243903 -3.754 -1.735 2.476 + 1253TIP3 OH243904 -3.769 -1.824 1.997 + 1253TIP3 H143905 -3.864 -1.828 1.977 + 1253TIP3 H243906 -3.732 -1.840 1.908 + 1253TIP3 OH243907 -3.207 -1.765 1.876 + 1253TIP3 H143908 -3.248 -1.683 1.839 + 1253TIP3 H243909 -3.138 -1.782 1.810 + 1253TIP3 OH243910 -3.288 -1.746 3.011 + 1253TIP3 H143911 -3.338 -1.823 3.047 + 1253TIP3 H243912 -3.200 -1.759 3.050 + 1253TIP3 OH243913 -3.122 -1.826 2.152 + 1253TIP3 H143914 -3.151 -1.770 2.078 + 1253TIP3 H243915 -3.098 -1.907 2.103 + 1253TIP3 OH243916 -4.023 -1.816 2.690 + 1253TIP3 H143917 -4.002 -1.771 2.773 + 1253TIP3 H243918 -4.050 -1.903 2.721 + 1253TIP3 OH243919 -3.688 -2.047 1.355 + 1253TIP3 H143920 -3.726 -2.092 1.433 + 1253TIP3 H243921 -3.764 -2.041 1.296 + 1253TIP3 OH243922 -4.322 -2.054 2.052 + 1253TIP3 H143923 -4.311 -2.073 2.146 + 1253TIP3 H243924 -4.274 -2.126 2.011 + 1253TIP3 OH243925 -4.210 -2.013 1.639 + 1253TIP3 H143926 -4.147 -1.984 1.570 + 1253TIP3 H243927 -4.289 -1.968 1.611 + 1254TIP3 OH243928 -3.213 -1.657 2.601 + 1254TIP3 H143929 -3.170 -1.729 2.550 + 1254TIP3 H243930 -3.253 -1.707 2.674 + 1254TIP3 OH243931 -3.490 -2.062 2.101 + 1254TIP3 H143932 -3.585 -2.069 2.124 + 1254TIP3 H243933 -3.448 -2.083 2.186 + 1254TIP3 OH243934 -4.042 -1.937 1.962 + 1254TIP3 H143935 -4.115 -1.924 1.900 + 1254TIP3 H243936 -4.001 -2.019 1.930 + 1254TIP3 OH243937 -3.672 -1.905 1.737 + 1254TIP3 H143938 -3.575 -1.901 1.742 + 1254TIP3 H243939 -3.694 -1.846 1.663 + 1254TIP3 OH243940 -3.052 -2.149 2.403 + 1254TIP3 H143941 -3.117 -2.148 2.476 + 1254TIP3 H243942 -3.107 -2.183 2.331 + 1254TIP3 OH243943 -3.826 -1.778 1.513 + 1254TIP3 H143944 -3.883 -1.814 1.443 + 1254TIP3 H243945 -3.744 -1.761 1.463 + 1254TIP3 OH243946 -2.751 -0.572 3.068 + 1254TIP3 H143947 -2.728 -0.526 2.985 + 1254TIP3 H243948 -2.681 -0.540 3.127 + 1254TIP3 OH243949 -3.953 -1.322 3.014 + 1254TIP3 H143950 -3.892 -1.303 3.088 + 1254TIP3 H243951 -4.038 -1.298 3.056 + 1254TIP3 OH243952 -3.389 -1.808 2.283 + 1254TIP3 H143953 -3.316 -1.851 2.236 + 1254TIP3 H243954 -3.405 -1.871 2.357 + 1254TIP3 OH243955 -3.874 -2.171 1.908 + 1254TIP3 H143956 -3.915 -2.258 1.911 + 1254TIP3 H243957 -3.792 -2.191 1.859 + 1255TIP3 OH243958 -3.493 -1.964 2.506 + 1255TIP3 H143959 -3.569 -1.904 2.507 + 1255TIP3 H243960 -3.443 -1.936 2.586 + 1255TIP3 OH243961 -3.481 -1.319 1.696 + 1255TIP3 H143962 -3.555 -1.373 1.661 + 1255TIP3 H243963 -3.497 -1.320 1.793 + 1255TIP3 OH243964 -2.756 -1.403 2.571 + 1255TIP3 H143965 -2.705 -1.357 2.501 + 1255TIP3 H243966 -2.840 -1.423 2.526 + 1255TIP3 OH243967 -3.063 -2.046 1.481 + 1255TIP3 H143968 -3.161 -2.042 1.470 + 1255TIP3 H243969 -3.043 -1.966 1.533 + 1255TIP3 OH243970 -3.310 -1.316 2.826 + 1255TIP3 H143971 -3.343 -1.349 2.911 + 1255TIP3 H243972 -3.345 -1.225 2.826 + 1255TIP3 OH243973 -2.994 -1.853 1.683 + 1255TIP3 H143974 -2.905 -1.874 1.718 + 1255TIP3 H243975 -2.978 -1.772 1.632 + 1255TIP3 OH243976 -3.983 -1.400 2.263 + 1255TIP3 H143977 -3.910 -1.400 2.199 + 1255TIP3 H243978 -3.960 -1.475 2.320 + 1255TIP3 OH243979 -3.236 -1.188 1.592 + 1255TIP3 H143980 -3.263 -1.103 1.629 + 1255TIP3 H243981 -3.311 -1.245 1.615 + 1255TIP3 OH243982 -4.244 -1.540 2.830 + 1255TIP3 H143983 -4.232 -1.603 2.904 + 1255TIP3 H243984 -4.290 -1.595 2.763 + 1255TIP3 OH243985 -3.540 -1.604 3.005 + 1255TIP3 H143986 -3.581 -1.631 2.921 + 1255TIP3 H243987 -3.448 -1.631 2.992 + 1256TIP3 OH243988 -3.092 -1.056 2.775 + 1256TIP3 H143989 -3.190 -1.057 2.770 + 1256TIP3 H243990 -3.078 -1.038 2.869 + 1256TIP3 OH243991 -2.539 -1.851 1.653 + 1256TIP3 H143992 -2.588 -1.877 1.573 + 1256TIP3 H243993 -2.524 -1.757 1.630 + 1256TIP3 OH243994 -2.490 -1.254 2.934 + 1256TIP3 H143995 -2.584 -1.233 2.915 + 1256TIP3 H243996 -2.457 -1.273 2.844 + 1256TIP3 OH243997 -2.695 -1.002 1.666 + 1256TIP3 H143998 -2.723 -1.088 1.699 + 1256TIP3 H243999 -2.661 -1.024 1.579 + 1256TIP3 OH244000 -2.987 -1.463 2.399 + 1256TIP3 H144001 -3.080 -1.478 2.377 + 1256TIP3 H244002 -2.945 -1.538 2.351 + 1256TIP3 OH244003 -3.726 -1.059 1.993 + 1256TIP3 H144004 -3.688 -0.970 1.997 + 1256TIP3 H244005 -3.820 -1.039 1.985 + 1256TIP3 OH244006 -4.156 -1.559 1.475 + 1256TIP3 H144007 -4.081 -1.508 1.512 + 1256TIP3 H244008 -4.228 -1.498 1.492 + 1256TIP3 OH244009 -3.542 -1.285 1.971 + 1256TIP3 H144010 -3.580 -1.196 1.980 + 1256TIP3 H244011 -3.613 -1.339 2.009 + 1256TIP3 OH244012 -3.680 -0.765 1.923 + 1256TIP3 H144013 -3.776 -0.756 1.936 + 1256TIP3 H244014 -3.648 -0.677 1.951 + 1256TIP3 OH244015 -3.184 -1.285 2.558 + 1256TIP3 H144016 -3.217 -1.308 2.647 + 1256TIP3 H244017 -3.114 -1.350 2.545 + 1257TIP3 OH244018 -2.976 -1.130 1.454 + 1257TIP3 H144019 -2.923 -1.179 1.518 + 1257TIP3 H244020 -3.064 -1.162 1.477 + 1257TIP3 OH244021 -2.889 -0.833 2.795 + 1257TIP3 H144022 -2.970 -0.876 2.760 + 1257TIP3 H244023 -2.882 -0.753 2.740 + 1257TIP3 OH244024 -4.100 -2.084 2.771 + 1257TIP3 H144025 -4.185 -2.049 2.741 + 1257TIP3 H244026 -4.122 -2.171 2.810 + 1257TIP3 OH244027 -2.866 -1.272 1.704 + 1257TIP3 H144028 -2.904 -1.349 1.749 + 1257TIP3 H244029 -2.772 -1.296 1.703 + 1257TIP3 OH244030 -4.127 -0.922 2.625 + 1257TIP3 H144031 -4.090 -1.012 2.628 + 1257TIP3 H244032 -4.075 -0.883 2.696 + 1257TIP3 OH244033 -3.545 -1.049 1.311 + 1257TIP3 H144034 -3.516 -1.123 1.255 + 1257TIP3 H244035 -3.588 -1.096 1.384 + 1257TIP3 OH244036 -3.664 -1.100 1.582 + 1257TIP3 H144037 -3.613 -1.155 1.643 + 1257TIP3 H244038 -3.648 -1.010 1.615 + 1257TIP3 OH244039 -3.988 -1.359 1.613 + 1257TIP3 H144040 -4.056 -1.317 1.671 + 1257TIP3 H244041 -3.936 -1.280 1.590 + 1257TIP3 OH244042 -3.211 -2.107 2.622 + 1257TIP3 H144043 -3.148 -2.081 2.691 + 1257TIP3 H244044 -3.260 -2.181 2.664 + 1257TIP3 OH244045 -3.150 -2.162 1.747 + 1257TIP3 H144046 -3.127 -2.114 1.666 + 1257TIP3 H244047 -3.100 -2.113 1.814 + 1258TIP3 OH244048 -3.359 -0.918 1.648 + 1258TIP3 H144049 -3.452 -0.889 1.652 + 1258TIP3 H244050 -3.336 -0.899 1.556 + 1258TIP3 OH244051 -3.407 -1.965 1.842 + 1258TIP3 H144052 -3.330 -1.906 1.854 + 1258TIP3 H244053 -3.433 -1.981 1.934 + 1258TIP3 OH244054 -3.367 -1.866 2.757 + 1258TIP3 H144055 -3.359 -1.818 2.842 + 1258TIP3 H244056 -3.317 -1.947 2.776 + 1258TIP3 OH244057 -3.346 -2.263 1.936 + 1258TIP3 H144058 -3.365 -2.193 2.001 + 1258TIP3 H244059 -3.273 -2.222 1.885 + 1258TIP3 OH244060 -3.639 -0.829 1.643 + 1258TIP3 H144061 -3.657 -0.751 1.589 + 1258TIP3 H244062 -3.657 -0.796 1.734 + 1258TIP3 OH244063 -3.775 -2.163 1.595 + 1258TIP3 H144064 -3.764 -2.082 1.648 + 1258TIP3 H244065 -3.693 -2.211 1.619 + 1258TIP3 OH244066 -2.741 -2.072 2.847 + 1258TIP3 H144067 -2.837 -2.059 2.830 + 1258TIP3 H244068 -2.714 -2.096 2.757 + 1258TIP3 OH244069 -2.890 -1.687 2.251 + 1258TIP3 H144070 -2.971 -1.733 2.221 + 1258TIP3 H244071 -2.841 -1.760 2.295 + 1258TIP3 OH244072 -3.933 -1.073 1.495 + 1258TIP3 H144073 -3.856 -1.031 1.538 + 1258TIP3 H244074 -3.887 -1.128 1.430 + 1258TIP3 OH244075 -4.115 -1.860 1.417 + 1258TIP3 H144076 -4.107 -1.765 1.433 + 1258TIP3 H244077 -4.193 -1.868 1.361 + 1259TIP3 OH244078 -4.026 -2.361 2.283 + 1259TIP3 H144079 -4.058 -2.364 2.191 + 1259TIP3 H244080 -4.068 -2.442 2.321 + 1259TIP3 OH244081 -4.137 -0.998 1.910 + 1259TIP3 H144082 -4.226 -0.960 1.918 + 1259TIP3 H244083 -4.104 -0.955 1.830 + 1259TIP3 OH244084 -4.215 -0.720 3.034 + 1259TIP3 H144085 -4.150 -0.720 3.108 + 1259TIP3 H244086 -4.214 -0.815 3.016 + 1259TIP3 OH244087 -3.737 -0.814 3.185 + 1259TIP3 H144088 -3.667 -0.874 3.213 + 1259TIP3 H244089 -3.749 -0.842 3.093 + 1259TIP3 OH244090 -3.322 -0.884 1.370 + 1259TIP3 H144091 -3.395 -0.945 1.345 + 1259TIP3 H244092 -3.247 -0.928 1.326 + 1259TIP3 OH244093 -3.077 -0.981 3.062 + 1259TIP3 H144094 -3.121 -1.059 3.100 + 1259TIP3 H244095 -3.011 -0.959 3.131 + 1259TIP3 OH244096 -4.202 -1.311 3.099 + 1259TIP3 H144097 -4.188 -1.399 3.061 + 1259TIP3 H244098 -4.289 -1.287 3.065 + 1259TIP3 OH244099 -3.781 -1.307 1.342 + 1259TIP3 H144100 -3.760 -1.367 1.416 + 1259TIP3 H244101 -3.697 -1.309 1.293 + 1259TIP3 OH244102 -3.546 -1.322 3.057 + 1259TIP3 H144103 -3.583 -1.299 2.971 + 1259TIP3 H244104 -3.535 -1.419 3.050 + 1259TIP3 OH244105 -3.260 -1.174 1.304 + 1259TIP3 H144106 -3.258 -1.182 1.401 + 1259TIP3 H244107 -3.261 -1.269 1.279 + 1260TIP3 OH244108 -3.001 -1.369 2.812 + 1260TIP3 H144109 -2.925 -1.311 2.798 + 1260TIP3 H244110 -3.075 -1.306 2.813 + 1260TIP3 OH244111 -4.140 -1.649 3.073 + 1260TIP3 H144112 -4.056 -1.698 3.061 + 1260TIP3 H244113 -4.126 -1.611 3.161 + 1260TIP3 OH244114 -3.673 -1.498 1.576 + 1260TIP3 H144115 -3.731 -1.552 1.631 + 1260TIP3 H244116 -3.641 -1.564 1.511 + 1260TIP3 OH244117 -3.746 -1.721 2.805 + 1260TIP3 H144118 -3.807 -1.646 2.818 + 1260TIP3 H244119 -3.684 -1.684 2.739 + 1260TIP3 OH244120 -3.576 -1.696 1.402 + 1260TIP3 H144121 -3.578 -1.689 1.304 + 1260TIP3 H244122 -3.480 -1.702 1.418 + 1260TIP3 OH244123 -3.222 -1.453 3.156 + 1260TIP3 H144124 -3.132 -1.469 3.126 + 1260TIP3 H244125 -3.245 -1.538 3.195 + 1260TIP3 OH244126 -3.691 -1.992 2.915 + 1260TIP3 H144127 -3.684 -2.058 2.843 + 1260TIP3 H244128 -3.711 -1.911 2.865 + 1260TIP3 OH244129 -3.657 -2.146 2.661 + 1260TIP3 H144130 -3.605 -2.094 2.596 + 1260TIP3 H244131 -3.748 -2.143 2.624 + 1260TIP3 OH244132 -3.512 -1.589 2.684 + 1260TIP3 H144133 -3.424 -1.594 2.643 + 1260TIP3 H244134 -3.540 -1.498 2.663 + 1260TIP3 OH244135 -3.045 -1.809 3.181 + 1260TIP3 H144136 -3.020 -1.903 3.188 + 1260TIP3 H244137 -2.957 -1.768 3.172 + 1261TIP3 OH244138 -2.948 -1.530 3.027 + 1261TIP3 H144139 -2.982 -1.469 2.959 + 1261TIP3 H244140 -2.858 -1.546 2.991 + 1261TIP3 OH244141 -3.876 -1.806 3.096 + 1261TIP3 H144142 -3.930 -1.887 3.093 + 1261TIP3 H244143 -3.797 -1.831 3.046 + 1261TIP3 OH244144 -3.586 -2.414 2.697 + 1261TIP3 H144145 -3.603 -2.319 2.678 + 1261TIP3 H244146 -3.655 -2.456 2.641 + 1261TIP3 OH244147 -3.459 -1.965 3.073 + 1261TIP3 H144148 -3.500 -1.978 3.161 + 1261TIP3 H244149 -3.539 -1.980 3.017 + 1261TIP3 OH244150 -3.204 -2.051 2.960 + 1261TIP3 H144151 -3.292 -2.046 3.002 + 1261TIP3 H244152 -3.157 -2.113 3.019 + 1261TIP3 OH244153 -3.026 -2.200 3.132 + 1261TIP3 H144154 -3.031 -2.296 3.146 + 1261TIP3 H244155 -3.037 -2.163 3.221 + 1261TIP3 OH244156 -4.014 -2.059 3.077 + 1261TIP3 H144157 -4.017 -2.131 3.013 + 1261TIP3 H244158 -4.033 -2.105 3.161 + 1261TIP3 OH244159 -3.593 -2.467 2.980 + 1261TIP3 H144160 -3.533 -2.543 2.976 + 1261TIP3 H244161 -3.603 -2.447 2.885 + 1261TIP3 OH244162 -3.514 -2.315 3.208 + 1261TIP3 H144163 -3.533 -2.355 3.121 + 1261TIP3 H244164 -3.570 -2.235 3.204 + 1261TIP3 OH244165 -3.596 -0.557 1.518 + 1261TIP3 H144166 -3.503 -0.577 1.507 + 1261TIP3 H244167 -3.621 -0.532 1.428 + 1262TIP3 OH244168 -4.201 -1.087 1.420 + 1262TIP3 H144169 -4.121 -1.089 1.476 + 1262TIP3 H244170 -4.213 -1.179 1.396 + 1262TIP3 OH244171 -4.274 -0.807 2.132 + 1262TIP3 H144172 -4.276 -0.896 2.173 + 1262TIP3 H244173 -4.241 -0.756 2.208 + 1262TIP3 OH244174 -2.535 -0.694 2.428 + 1262TIP3 H144175 -2.518 -0.700 2.523 + 1262TIP3 H244176 -2.448 -0.670 2.394 + 1262TIP3 OH244177 -2.525 -0.740 2.726 + 1262TIP3 H144178 -2.577 -0.813 2.688 + 1262TIP3 H244179 -2.470 -0.789 2.789 + 1262TIP3 OH244180 -2.726 -1.199 3.153 + 1262TIP3 H144181 -2.814 -1.192 3.193 + 1262TIP3 H244182 -2.681 -1.119 3.186 + 1262TIP3 OH244183 -2.592 -1.317 1.726 + 1262TIP3 H144184 -2.503 -1.278 1.737 + 1262TIP3 H244185 -2.591 -1.383 1.798 + 1262TIP3 OH244186 -2.543 -1.509 1.928 + 1262TIP3 H144187 -2.606 -1.572 1.969 + 1262TIP3 H244188 -2.471 -1.504 1.994 + 1262TIP3 OH244189 -2.577 -1.255 2.416 + 1262TIP3 H144190 -2.515 -1.312 2.368 + 1262TIP3 H244191 -2.542 -1.166 2.394 + 1262TIP3 OH244192 -2.698 -0.961 2.637 + 1262TIP3 H144193 -2.766 -0.926 2.698 + 1262TIP3 H244194 -2.746 -1.027 2.586 + 1262TIP3 OH244195 -2.528 -1.553 1.556 + 1262TIP3 H144196 -2.564 -1.519 1.474 + 1262TIP3 H244197 -2.539 -1.478 1.616 + 1263TIP3 OH244198 -2.690 -1.807 1.399 + 1263TIP3 H144199 -2.658 -1.755 1.324 + 1263TIP3 H244200 -2.708 -1.894 1.357 + 1263TIP3 OH244201 -2.749 -1.699 2.006 + 1263TIP3 H144202 -2.752 -1.795 1.989 + 1263TIP3 H244203 -2.786 -1.693 2.096 + 1263TIP3 OH244204 -4.257 -1.451 2.405 + 1263TIP3 H144205 -4.219 -1.425 2.319 + 1263TIP3 H244206 -4.178 -1.489 2.448 + 1263TIP3 OH244207 -2.686 -1.506 2.920 + 1263TIP3 H144208 -2.614 -1.570 2.937 + 1263TIP3 H244209 -2.636 -1.424 2.905 + 1263TIP3 OH244210 -2.532 -1.697 3.043 + 1263TIP3 H144211 -2.610 -1.752 3.020 + 1263TIP3 H244212 -2.460 -1.763 3.040 + 1263TIP3 OH244213 -2.742 -2.077 1.336 + 1263TIP3 H144214 -2.680 -2.130 1.388 + 1263TIP3 H244215 -2.818 -2.135 1.322 + 1263TIP3 OH244216 -2.758 -1.950 1.825 + 1263TIP3 H144217 -2.733 -2.045 1.828 + 1263TIP3 H244218 -2.679 -1.912 1.781 + 1263TIP3 OH244219 -2.737 -1.887 2.368 + 1263TIP3 H144220 -2.639 -1.879 2.364 + 1263TIP3 H244221 -2.750 -1.888 2.464 + 1263TIP3 OH244222 -2.720 -1.820 2.651 + 1263TIP3 H144223 -2.806 -1.781 2.676 + 1263TIP3 H244224 -2.667 -1.741 2.629 + 1263TIP3 OH244225 -4.286 -1.959 3.007 + 1263TIP3 H144226 -4.196 -1.995 3.014 + 1263TIP3 H244227 -4.343 -2.032 3.035 + 1264TIP3 OH244228 -2.468 -2.403 3.177 + 1264TIP3 H144229 -2.422 -2.473 3.126 + 1264TIP3 H244230 -2.460 -2.326 3.118 + 1264TIP3 OH244231 -2.713 -2.228 1.823 + 1264TIP3 H144232 -2.701 -2.262 1.913 + 1264TIP3 H244233 -2.792 -2.279 1.794 + 1264TIP3 OH244234 -4.195 -2.096 2.328 + 1264TIP3 H144235 -4.164 -2.188 2.326 + 1264TIP3 H244236 -4.112 -2.047 2.343 + 1264TIP3 OH244237 -4.352 -1.835 2.396 + 1264TIP3 H144238 -4.298 -1.896 2.342 + 1264TIP3 H244239 -4.306 -1.751 2.382 + 1264TIP3 OH244240 -2.526 -2.197 3.002 + 1264TIP3 H144241 -2.615 -2.157 3.007 + 1264TIP3 H244242 -2.538 -2.254 2.924 + 1264TIP3 OH244243 -2.515 -2.184 1.493 + 1264TIP3 H144244 -2.484 -2.260 1.441 + 1264TIP3 H244245 -2.437 -2.126 1.490 + 1264TIP3 OH244246 -4.313 -2.229 1.763 + 1264TIP3 H144247 -4.398 -2.199 1.727 + 1264TIP3 H244248 -4.254 -2.158 1.729 + 1264TIP3 OH244249 -4.292 -2.333 2.598 + 1264TIP3 H144250 -4.359 -2.340 2.670 + 1264TIP3 H244251 -4.335 -2.280 2.530 + 1264TIP3 OH244252 -4.104 -0.983 3.059 + 1264TIP3 H144253 -4.161 -1.034 3.002 + 1264TIP3 H244254 -4.121 -1.023 3.147 + 1264TIP3 OH244255 -3.352 -0.769 2.962 + 1264TIP3 H144256 -3.340 -0.803 3.052 + 1264TIP3 H244257 -3.264 -0.738 2.937 + 1265TIP3 OH244258 -3.114 -0.632 2.877 + 1265TIP3 H144259 -3.052 -0.705 2.864 + 1265TIP3 H244260 -3.092 -0.603 2.967 + 1265TIP3 OH244261 -2.641 -2.377 2.803 + 1265TIP3 H144262 -2.720 -2.358 2.750 + 1265TIP3 H244263 -2.617 -2.466 2.770 + 1265TIP3 OH244264 -4.072 -0.601 2.682 + 1265TIP3 H144265 -4.142 -0.551 2.637 + 1265TIP3 H244266 -4.106 -0.608 2.772 + 1265TIP3 OH244267 -3.819 -0.668 2.510 + 1265TIP3 H144268 -3.883 -0.670 2.583 + 1265TIP3 H244269 -3.816 -0.575 2.486 + 1265TIP3 OH244270 -3.323 -0.640 2.486 + 1265TIP3 H144271 -3.391 -0.608 2.424 + 1265TIP3 H244272 -3.347 -0.592 2.567 + 1265TIP3 OH244273 -3.103 -0.768 2.587 + 1265TIP3 H144274 -3.191 -0.736 2.559 + 1265TIP3 H244275 -3.055 -0.684 2.593 + 1265TIP3 OH244276 -2.838 -0.612 2.588 + 1265TIP3 H144277 -2.853 -0.516 2.581 + 1265TIP3 H244278 -2.805 -0.632 2.499 + 1265TIP3 OH244279 -4.125 -0.733 2.380 + 1265TIP3 H144280 -4.134 -0.773 2.469 + 1265TIP3 H244281 -4.044 -0.777 2.349 + 1265TIP3 OH244282 -3.903 -0.866 2.228 + 1265TIP3 H144283 -3.923 -0.955 2.264 + 1265TIP3 H244284 -3.825 -0.842 2.281 + 1265TIP3 OH244285 -3.612 -0.816 2.331 + 1265TIP3 H144286 -3.613 -0.912 2.315 + 1265TIP3 H244287 -3.640 -0.814 2.425 + 1266TIP3 OH244288 -3.298 -2.227 2.249 + 1266TIP3 H144289 -3.366 -2.295 2.262 + 1266TIP3 H244290 -3.237 -2.272 2.188 + 1266TIP3 OH244291 -2.802 -2.422 2.296 + 1266TIP3 H144292 -2.725 -2.381 2.253 + 1266TIP3 H244293 -2.875 -2.396 2.238 + 1266TIP3 OH244294 -2.594 -2.315 2.082 + 1266TIP3 H144295 -2.523 -2.357 2.030 + 1266TIP3 H244296 -2.561 -2.223 2.089 + 1266TIP3 OH244297 -4.108 -2.369 2.002 + 1266TIP3 H144298 -4.180 -2.399 1.945 + 1266TIP3 H244299 -4.045 -2.443 1.992 + 1266TIP3 OH244300 -4.183 -2.408 1.582 + 1266TIP3 H144301 -4.130 -2.343 1.533 + 1266TIP3 H244302 -4.232 -2.351 1.644 + 1266TIP3 OH244303 -3.616 -2.372 1.993 + 1266TIP3 H144304 -3.525 -2.343 1.976 + 1266TIP3 H244305 -3.615 -2.383 2.089 + 1266TIP3 OH244306 -3.056 -2.368 2.132 + 1266TIP3 H144307 -3.029 -2.384 2.041 + 1266TIP3 H244308 -3.093 -2.455 2.157 + 1266TIP3 OH244309 -2.945 -2.368 1.734 + 1266TIP3 H144310 -3.027 -2.319 1.715 + 1266TIP3 H244311 -2.979 -2.459 1.743 + 1266TIP3 OH244312 -4.191 -0.805 1.689 + 1266TIP3 H144313 -4.248 -0.824 1.613 + 1266TIP3 H244314 -4.183 -0.709 1.684 + 1266TIP3 OH244315 -4.005 -2.220 1.436 + 1266TIP3 H144316 -3.948 -2.279 1.384 + 1266TIP3 H244317 -3.943 -2.191 1.506 + 1267TIP3 OH244318 -3.501 -2.204 1.698 + 1267TIP3 H144319 -3.464 -2.264 1.765 + 1267TIP3 H244320 -3.476 -2.118 1.736 + 1267TIP3 OH244321 -3.264 -0.606 1.510 + 1267TIP3 H144322 -3.172 -0.637 1.502 + 1267TIP3 H244323 -3.306 -0.679 1.461 + 1267TIP3 OH244324 -2.673 -0.716 1.804 + 1267TIP3 H144325 -2.681 -0.799 1.755 + 1267TIP3 H244326 -2.635 -0.656 1.739 + 1267TIP3 OH244327 -4.081 -2.329 2.954 + 1267TIP3 H144328 -4.126 -2.405 2.994 + 1267TIP3 H244329 -3.989 -2.343 2.984 + 1267TIP3 OH244330 -3.847 -2.392 3.130 + 1267TIP3 H144331 -3.764 -2.426 3.091 + 1267TIP3 H244332 -3.886 -2.471 3.170 + 1267TIP3 OH244333 -4.012 -0.707 1.385 + 1267TIP3 H144334 -4.039 -0.689 1.477 + 1267TIP3 H244335 -3.943 -0.775 1.397 + 1267TIP3 OH244336 -3.028 -2.478 3.144 + 1267TIP3 H144337 -3.030 -2.521 3.231 + 1267TIP3 H244338 -2.933 -2.485 3.121 + 1267TIP3 OH244339 -2.694 -0.849 3.015 + 1267TIP3 H144340 -2.770 -0.868 2.957 + 1267TIP3 H244341 -2.712 -0.755 3.037 + 1267TIP3 OH244342 -1.390 -1.543 2.322 + 1267TIP3 H144343 -1.384 -1.581 2.411 + 1267TIP3 H244344 -1.423 -1.620 2.272 + 1267TIP3 OH244345 -2.145 -1.577 2.505 + 1267TIP3 H144346 -2.143 -1.653 2.566 + 1267TIP3 H244347 -2.071 -1.525 2.539 + 1268TIP3 OH244348 -1.058 -1.254 2.163 + 1268TIP3 H144349 -1.046 -1.331 2.220 + 1268TIP3 H244350 -0.989 -1.195 2.193 + 1268TIP3 OH244351 -2.079 -1.117 2.357 + 1268TIP3 H144352 -2.098 -1.210 2.329 + 1268TIP3 H244353 -1.984 -1.125 2.373 + 1268TIP3 OH244354 -2.380 -1.775 1.897 + 1268TIP3 H144355 -2.418 -1.686 1.900 + 1268TIP3 H244356 -2.446 -1.824 1.846 + 1268TIP3 OH244357 -2.296 -1.528 2.080 + 1268TIP3 H144358 -2.280 -1.613 2.125 + 1268TIP3 H244359 -2.215 -1.518 2.029 + 1268TIP3 OH244360 -1.334 -0.771 2.220 + 1268TIP3 H144361 -1.259 -0.830 2.199 + 1268TIP3 H244362 -1.346 -0.787 2.315 + 1268TIP3 OH244363 -1.540 -1.288 2.395 + 1268TIP3 H144364 -1.507 -1.356 2.335 + 1268TIP3 H244365 -1.458 -1.270 2.445 + 1268TIP3 OH244366 -0.656 -2.133 2.443 + 1268TIP3 H144367 -0.636 -2.071 2.515 + 1268TIP3 H244368 -0.598 -2.097 2.374 + 1268TIP3 OH244369 -1.219 -1.854 2.443 + 1268TIP3 H144370 -1.194 -1.948 2.446 + 1268TIP3 H244371 -1.213 -1.835 2.348 + 1268TIP3 OH244372 -1.915 -2.051 2.153 + 1268TIP3 H144373 -1.899 -1.966 2.107 + 1268TIP3 H244374 -1.949 -2.103 2.078 + 1268TIP3 OH244375 -1.126 -2.029 1.982 + 1268TIP3 H144376 -1.069 -2.073 2.049 + 1268TIP3 H244377 -1.058 -1.987 1.927 + 1269TIP3 OH244378 -2.245 -1.779 2.203 + 1269TIP3 H144379 -2.181 -1.827 2.258 + 1269TIP3 H244380 -2.237 -1.826 2.119 + 1269TIP3 OH244381 -1.701 -1.639 2.144 + 1269TIP3 H144382 -1.636 -1.697 2.189 + 1269TIP3 H244383 -1.755 -1.705 2.096 + 1269TIP3 OH244384 -0.602 -1.998 2.705 + 1269TIP3 H144385 -0.659 -1.925 2.674 + 1269TIP3 H244386 -0.624 -1.999 2.799 + 1269TIP3 OH244387 -2.034 -2.173 2.568 + 1269TIP3 H144388 -2.074 -2.123 2.495 + 1269TIP3 H244389 -2.099 -2.158 2.639 + 1269TIP3 OH244390 -1.354 -1.242 1.957 + 1269TIP3 H144391 -1.282 -1.204 2.009 + 1269TIP3 H244392 -1.385 -1.163 1.909 + 1269TIP3 OH244393 -1.740 -1.384 2.581 + 1269TIP3 H144394 -1.814 -1.323 2.605 + 1269TIP3 H244395 -1.678 -1.324 2.535 + 1269TIP3 OH244396 -0.950 -2.114 2.187 + 1269TIP3 H144397 -0.984 -2.167 2.260 + 1269TIP3 H244398 -0.892 -2.051 2.234 + 1269TIP3 OH244399 -2.074 -1.967 2.362 + 1269TIP3 H144400 -2.008 -1.911 2.408 + 1269TIP3 H244401 -2.017 -2.004 2.291 + 1269TIP3 OH244402 -1.942 -1.197 2.654 + 1269TIP3 H144403 -1.945 -1.106 2.620 + 1269TIP3 H244404 -2.028 -1.202 2.699 + 1269TIP3 OH244405 -2.326 -1.213 1.735 + 1269TIP3 H144406 -2.335 -1.165 1.652 + 1269TIP3 H244407 -2.303 -1.140 1.797 + 1270TIP3 OH244408 -0.962 -1.072 2.433 + 1270TIP3 H144409 -1.058 -1.073 2.416 + 1270TIP3 H244410 -0.933 -1.004 2.371 + 1270TIP3 OH244411 -0.924 -2.193 2.567 + 1270TIP3 H144412 -1.003 -2.153 2.525 + 1270TIP3 H244413 -0.855 -2.173 2.501 + 1270TIP3 OH244414 -1.620 -2.424 2.276 + 1270TIP3 H144415 -1.643 -2.518 2.273 + 1270TIP3 H244416 -1.701 -2.384 2.313 + 1270TIP3 OH244417 -1.090 -0.890 2.074 + 1270TIP3 H144418 -1.059 -0.969 2.027 + 1270TIP3 H244419 -1.096 -0.826 2.002 + 1270TIP3 OH244420 -0.835 -1.217 2.786 + 1270TIP3 H144421 -0.846 -1.284 2.715 + 1270TIP3 H244422 -0.822 -1.136 2.734 + 1270TIP3 OH244423 -1.362 -1.721 1.477 + 1270TIP3 H144424 -1.285 -1.680 1.517 + 1270TIP3 H244425 -1.334 -1.722 1.383 + 1270TIP3 OH244426 -0.660 -1.602 2.581 + 1270TIP3 H144427 -0.730 -1.535 2.584 + 1270TIP3 H244428 -0.610 -1.574 2.501 + 1270TIP3 OH244429 -1.086 -1.556 1.889 + 1270TIP3 H144430 -1.106 -1.463 1.897 + 1270TIP3 H244431 -0.999 -1.550 1.844 + 1270TIP3 OH244432 -1.077 -1.675 2.748 + 1270TIP3 H144433 -1.069 -1.592 2.798 + 1270TIP3 H244434 -1.137 -1.646 2.678 + 1270TIP3 OH244435 -1.905 -1.452 2.041 + 1270TIP3 H144436 -1.935 -1.494 1.957 + 1270TIP3 H244437 -1.837 -1.515 2.071 + 1271TIP3 OH244438 -1.768 -1.115 2.319 + 1271TIP3 H144439 -1.773 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-2.356 2.750 + 1283TIP3 H244821 -0.732 -2.466 2.770 + 1283TIP3 OH244822 -2.179 -0.616 2.690 + 1283TIP3 H144823 -2.240 -0.554 2.645 + 1283TIP3 H244824 -2.215 -0.614 2.780 + 1283TIP3 OH244825 -1.930 -0.640 2.548 + 1283TIP3 H144826 -2.016 -0.620 2.590 + 1283TIP3 H244827 -1.925 -0.575 2.476 + 1284TIP3 OH244828 -1.454 -0.640 2.499 + 1284TIP3 H144829 -1.490 -0.597 2.419 + 1284TIP3 H244830 -1.445 -0.565 2.559 + 1284TIP3 OH244831 -1.223 -0.769 2.598 + 1284TIP3 H144832 -1.306 -0.737 2.560 + 1284TIP3 H244833 -1.165 -0.693 2.586 + 1284TIP3 OH244834 -0.966 -0.599 2.618 + 1284TIP3 H144835 -0.979 -0.509 2.584 + 1284TIP3 H244836 -0.942 -0.648 2.537 + 1284TIP3 OH244837 -2.233 -0.739 2.384 + 1284TIP3 H144838 -2.230 -0.784 2.471 + 1284TIP3 H244839 -2.153 -0.777 2.342 + 1284TIP3 OH244840 -2.026 -0.858 2.240 + 1284TIP3 H144841 -2.032 -0.954 2.257 + 1284TIP3 H244842 -1.931 -0.841 2.259 + 1284TIP3 OH244843 -1.745 -0.805 2.315 + 1284TIP3 H144844 -1.718 -0.894 2.286 + 1284TIP3 H244845 -1.737 -0.814 2.411 + 1284TIP3 OH244846 -1.412 -2.226 2.247 + 1284TIP3 H144847 -1.480 -2.295 2.260 + 1284TIP3 H244848 -1.347 -2.272 2.190 + 1284TIP3 OH244849 -0.914 -2.424 2.294 + 1284TIP3 H144850 -0.837 -2.379 2.253 + 1284TIP3 H244851 -0.987 -2.392 2.240 + 1284TIP3 OH244852 -0.710 -2.316 2.075 + 1284TIP3 H144853 -0.634 -2.352 2.027 + 1284TIP3 H244854 -0.674 -2.227 2.097 + 1284TIP3 OH244855 -2.176 -2.358 2.007 + 1284TIP3 H144856 -2.261 -2.368 1.959 + 1284TIP3 H244857 -2.133 -2.443 1.988 + 1285TIP3 OH244858 -2.291 -2.410 1.594 + 1285TIP3 H144859 -2.240 -2.346 1.539 + 1285TIP3 H244860 -2.336 -2.351 1.656 + 1285TIP3 OH244861 -1.728 -2.379 1.988 + 1285TIP3 H144862 -1.639 -2.342 1.978 + 1285TIP3 H244863 -1.734 -2.387 2.084 + 1285TIP3 OH244864 -1.177 -2.367 2.130 + 1285TIP3 H144865 -1.139 -2.381 2.042 + 1285TIP3 H244866 -1.205 -2.457 2.154 + 1285TIP3 OH244867 -1.059 -2.373 1.733 + 1285TIP3 H144868 -1.137 -2.318 1.710 + 1285TIP3 H244869 -1.099 -2.461 1.745 + 1285TIP3 OH244870 -2.131 -2.239 1.448 + 1285TIP3 H144871 -2.075 -2.263 1.372 + 1285TIP3 H244872 -2.066 -2.190 1.502 + 1285TIP3 OH244873 -1.619 -2.224 1.692 + 1285TIP3 H144874 -1.578 -2.269 1.769 + 1285TIP3 H244875 -1.595 -2.132 1.715 + 1285TIP3 OH244876 -1.418 -0.723 1.538 + 1285TIP3 H144877 -1.378 -0.636 1.541 + 1285TIP3 H244878 -1.465 -0.722 1.454 + 1285TIP3 OH244879 -2.197 -2.332 2.957 + 1285TIP3 H144880 -2.236 -2.414 2.992 + 1285TIP3 H244881 -2.104 -2.345 2.983 + 1285TIP3 OH244882 -1.958 -2.393 3.129 + 1285TIP3 H144883 -1.876 -2.428 3.089 + 1285TIP3 H244884 -1.992 -2.473 3.174 + 1285TIP3 OH244885 -1.145 -2.483 3.147 + 1285TIP3 H144886 -1.142 -2.524 3.235 + 1285TIP3 H244887 -1.051 -2.486 3.120 + 1286TIP3 OH244888 -0.815 -0.849 3.022 + 1286TIP3 H144889 -0.882 -0.869 2.954 + 1286TIP3 H244890 -0.829 -0.754 3.033 + 1286TIP3 OH244891 0.615 -1.479 2.025 + 1286TIP3 H144892 0.614 -1.383 2.038 + 1286TIP3 H244893 0.544 -1.491 1.961 + 1286TIP3 OH244894 0.500 -1.538 2.336 + 1286TIP3 H144895 0.494 -1.593 2.415 + 1286TIP3 H244896 0.468 -1.598 2.267 + 1286TIP3 OH244897 -0.264 -1.570 2.512 + 1286TIP3 H144898 -0.259 -1.652 2.563 + 1286TIP3 H244899 -0.180 -1.527 2.535 + 1286TIP3 OH244900 0.865 -1.267 2.166 + 1286TIP3 H144901 0.826 -1.333 2.224 + 1286TIP3 H244902 0.889 -1.198 2.229 + 1286TIP3 OH244903 -0.192 -1.124 2.360 + 1286TIP3 H144904 -0.214 -1.215 2.331 + 1286TIP3 H244905 -0.096 -1.133 2.369 + 1286TIP3 OH244906 -0.521 -1.755 1.891 + 1286TIP3 H144907 -0.576 -1.676 1.904 + 1286TIP3 H244908 -0.577 -1.804 1.829 + 1286TIP3 OH244909 -0.416 -1.514 2.098 + 1286TIP3 H144910 -0.440 -1.606 2.114 + 1286TIP3 H244911 -0.347 -1.524 2.033 + 1286TIP3 OH244912 0.583 -0.697 2.248 + 1286TIP3 H144913 0.615 -0.750 2.174 + 1286TIP3 H244914 0.551 -0.764 2.309 + 1286TIP3 OH244915 0.342 -1.285 2.398 + 1286TIP3 H144916 0.372 -1.352 2.334 + 1286TIP3 H244917 0.426 -1.270 2.445 + 1287TIP3 OH244918 1.214 -2.136 2.459 + 1287TIP3 H144919 1.236 -2.072 2.528 + 1287TIP3 H244920 1.272 -2.106 2.386 + 1287TIP3 OH244921 0.678 -1.852 2.446 + 1287TIP3 H144922 0.687 -1.949 2.450 + 1287TIP3 H244923 0.668 -1.838 2.350 + 1287TIP3 OH244924 0.758 -2.037 1.981 + 1287TIP3 H144925 0.815 -2.078 2.049 + 1287TIP3 H244926 0.823 -1.988 1.929 + 1287TIP3 OH244927 -0.320 -1.778 2.224 + 1287TIP3 H144928 -0.282 -1.855 2.271 + 1287TIP3 H244929 -0.331 -1.816 2.136 + 1287TIP3 OH244930 0.177 -1.637 2.148 + 1287TIP3 H144931 0.247 -1.693 2.188 + 1287TIP3 H244932 0.124 -1.704 2.099 + 1287TIP3 OH244933 1.286 -1.995 2.707 + 1287TIP3 H144934 1.227 -1.925 2.676 + 1287TIP3 H244935 1.261 -2.001 2.800 + 1287TIP3 OH244936 -0.139 -2.151 2.568 + 1287TIP3 H144937 -0.185 -2.127 2.484 + 1287TIP3 H244938 -0.211 -2.135 2.631 + 1287TIP3 OH244939 0.593 -1.193 1.907 + 1287TIP3 H144940 0.574 -1.214 1.814 + 1287TIP3 H244941 0.558 -1.104 1.915 + 1287TIP3 OH244942 0.149 -1.383 2.584 + 1287TIP3 H144943 0.074 -1.325 2.606 + 1287TIP3 H244944 0.208 -1.324 2.534 + 1287TIP3 OH244945 0.941 -2.112 2.188 + 1287TIP3 H144946 0.897 -2.168 2.253 + 1287TIP3 H244947 0.990 -2.050 2.244 + 1288TIP3 OH244948 -0.054 -1.196 2.658 + 1288TIP3 H144949 -0.061 -1.106 2.620 + 1288TIP3 H244950 -0.142 -1.206 2.696 + 1288TIP3 OH244951 0.922 -1.079 2.422 + 1288TIP3 H144952 0.824 -1.070 2.420 + 1288TIP3 H244953 0.948 -0.995 2.380 + 1288TIP3 OH244954 0.953 -2.194 2.572 + 1288TIP3 H144955 0.875 -2.156 2.527 + 1288TIP3 H244956 1.024 -2.177 2.508 + 1288TIP3 OH244957 0.257 -2.419 2.290 + 1288TIP3 H144958 0.238 -2.513 2.274 + 1288TIP3 H244959 0.169 -2.385 2.313 + 1288TIP3 OH244960 0.780 -0.889 2.082 + 1288TIP3 H144961 0.803 -0.961 2.021 + 1288TIP3 H244962 0.761 -0.816 2.023 + 1288TIP3 OH244963 0.900 -1.114 1.913 + 1288TIP3 H144964 0.831 -1.156 1.860 + 1288TIP3 H244965 0.893 -1.164 1.997 + 1288TIP3 OH244966 1.053 -1.219 2.786 + 1288TIP3 H144967 1.038 -1.283 2.714 + 1288TIP3 H244968 1.061 -1.135 2.737 + 1288TIP3 OH244969 0.503 -1.531 1.724 + 1288TIP3 H144970 0.432 -1.469 1.698 + 1288TIP3 H244971 0.570 -1.506 1.659 + 1288TIP3 OH244972 1.228 -1.600 2.578 + 1288TIP3 H144973 1.154 -1.537 2.587 + 1288TIP3 H244974 1.273 -1.564 2.500 + 1288TIP3 OH244975 0.819 -1.541 1.832 + 1288TIP3 H144976 0.757 -1.508 1.900 + 1288TIP3 H244977 0.889 -1.580 1.888 + 1289TIP3 OH244978 0.812 -1.675 2.748 + 1289TIP3 H144979 0.816 -1.592 2.798 + 1289TIP3 H244980 0.746 -1.648 2.681 + 1289TIP3 OH244981 -0.007 -1.453 2.017 + 1289TIP3 H144982 -0.035 -1.516 1.949 + 1289TIP3 H244983 0.049 -1.510 2.072 + 1289TIP3 OH244984 0.120 -1.117 2.297 + 1289TIP3 H144985 0.130 -1.162 2.211 + 1289TIP3 H244986 0.199 -1.153 2.343 + 1289TIP3 OH244987 0.043 -1.572 2.392 + 1289TIP3 H144988 0.101 -1.570 2.314 + 1289TIP3 H244989 0.086 -1.509 2.452 + 1289TIP3 OH244990 0.637 -1.020 2.450 + 1289TIP3 H144991 0.641 -0.953 2.520 + 1289TIP3 H244992 0.617 -1.102 2.498 + 1289TIP3 OH244993 0.129 -1.140 2.874 + 1289TIP3 H144994 0.077 -1.071 2.920 + 1289TIP3 H244995 0.068 -1.167 2.803 + 1289TIP3 OH244996 -0.171 -1.497 2.788 + 1289TIP3 H144997 -0.174 -1.443 2.869 + 1289TIP3 H244998 -0.266 -1.512 2.770 + 1289TIP3 OH244999 -0.062 -0.916 2.956 + 1289TIP3 H145000 -0.069 -0.914 2.859 + 1289TIP3 H245001 -0.149 -0.950 2.984 + 1289TIP3 OH245002 1.067 -2.411 1.561 + 1289TIP3 H145003 0.980 -2.399 1.605 + 1289TIP3 H245004 1.103 -2.321 1.561 + 1289TIP3 OH245005 -0.120 -1.555 1.734 + 1289TIP3 H145006 -0.159 -1.481 1.780 + 1289TIP3 H245007 -0.174 -1.631 1.762 + 1290TIP3 OH245008 -0.517 -1.309 2.668 + 1290TIP3 H145009 -0.557 -1.308 2.578 + 1290TIP3 H245010 -0.501 -1.405 2.680 + 1290TIP3 OH245011 -0.510 -1.008 2.357 + 1290TIP3 H145012 -0.419 -1.043 2.353 + 1290TIP3 H245013 -0.507 -0.955 2.437 + 1290TIP3 OH245014 1.329 -0.957 2.938 + 1290TIP3 H145015 1.317 -1.051 2.919 + 1290TIP3 H245016 1.238 -0.933 2.966 + 1290TIP3 OH245017 0.394 -1.036 2.819 + 1290TIP3 H145018 0.400 -0.951 2.868 + 1290TIP3 H245019 0.303 -1.064 2.839 + 1290TIP3 OH245020 1.009 -1.820 2.978 + 1290TIP3 H145021 0.955 -1.780 2.908 + 1290TIP3 H245022 1.012 -1.913 2.950 + 1290TIP3 OH245023 -0.303 -1.150 2.798 + 1290TIP3 H145024 -0.268 -1.205 2.872 + 1290TIP3 H245025 -0.369 -1.208 2.757 + 1290TIP3 OH245026 -0.016 -2.324 2.351 + 1290TIP3 H145027 -0.098 -2.316 2.299 + 1290TIP3 H245028 -0.024 -2.243 2.404 + 1290TIP3 OH245029 0.461 -2.350 2.732 + 1290TIP3 H145030 0.513 -2.404 2.795 + 1290TIP3 H245031 0.370 -2.383 2.745 + 1290TIP3 OH245032 0.779 -1.971 2.786 + 1290TIP3 H145033 0.715 -1.987 2.858 + 1290TIP3 H245034 0.769 -1.875 2.769 + 1290TIP3 OH245035 0.008 -1.853 2.504 + 1290TIP3 H145036 -0.075 -1.856 2.553 + 1290TIP3 H245037 -0.008 -1.778 2.444 + 1291TIP3 OH245038 0.004 -1.805 1.986 + 1291TIP3 H145039 -0.087 -1.840 1.998 + 1291TIP3 H245040 0.034 -1.865 1.916 + 1291TIP3 OH245041 0.562 -1.767 1.872 + 1291TIP3 H145042 0.525 -1.683 1.839 + 1291TIP3 H245043 0.637 -1.776 1.812 + 1291TIP3 OH245044 0.483 -1.745 3.011 + 1291TIP3 H145045 0.433 -1.821 3.045 + 1291TIP3 H245046 0.571 -1.759 3.051 + 1291TIP3 OH245047 0.654 -1.827 2.155 + 1291TIP3 H145048 0.623 -1.767 2.085 + 1291TIP3 H245049 0.672 -1.907 2.102 + 1291TIP3 OH245050 -0.271 -1.807 2.701 + 1291TIP3 H145051 -0.220 -1.788 2.781 + 1291TIP3 H245052 -0.294 -1.900 2.714 + 1291TIP3 OH245053 -0.554 -2.083 2.086 + 1291TIP3 H145054 -0.475 -2.077 2.142 + 1291TIP3 H245055 -0.518 -2.102 1.999 + 1291TIP3 OH245056 -0.421 -2.018 1.620 + 1291TIP3 H145057 -0.362 -1.970 1.558 + 1291TIP3 H245058 -0.487 -1.950 1.637 + 1291TIP3 OH245059 0.562 -1.658 2.600 + 1291TIP3 H145060 0.605 -1.730 2.548 + 1291TIP3 H245061 0.525 -1.707 2.674 + 1291TIP3 OH245062 0.249 -2.067 2.104 + 1291TIP3 H145063 0.154 -2.059 2.123 + 1291TIP3 H245064 0.287 -2.076 2.193 + 1291TIP3 OH245065 -0.262 -1.916 1.943 + 1291TIP3 H145066 -0.355 -1.911 1.917 + 1291TIP3 H245067 -0.238 -2.008 1.924 + 1292TIP3 OH245068 0.123 -1.917 1.717 + 1292TIP3 H145069 0.209 -1.891 1.754 + 1292TIP3 H245070 0.083 -1.834 1.688 + 1292TIP3 OH245071 0.719 -2.151 2.400 + 1292TIP3 H145072 0.655 -2.149 2.474 + 1292TIP3 H245073 0.660 -2.183 2.329 + 1292TIP3 OH245074 -0.082 -1.840 1.510 + 1292TIP3 H145075 -0.123 -1.827 1.423 + 1292TIP3 H245076 -0.026 -1.763 1.517 + 1292TIP3 OH245077 1.020 -0.571 3.068 + 1292TIP3 H145078 1.041 -0.526 2.985 + 1292TIP3 H245079 1.090 -0.540 3.127 + 1292TIP3 OH245080 -0.191 -1.306 3.012 + 1292TIP3 H145081 -0.121 -1.301 3.081 + 1292TIP3 H245082 -0.270 -1.311 3.068 + 1292TIP3 OH245083 0.382 -1.809 2.277 + 1292TIP3 H145084 0.458 -1.856 2.239 + 1292TIP3 H245085 0.360 -1.865 2.354 + 1292TIP3 OH245086 -0.084 -2.157 1.904 + 1292TIP3 H145087 -0.143 -2.227 1.938 + 1292TIP3 H245088 -0.021 -2.206 1.851 + 1292TIP3 OH245089 0.271 -1.947 2.508 + 1292TIP3 H145090 0.183 -1.904 2.509 + 1292TIP3 H245091 0.310 -1.919 2.593 + 1292TIP3 OH245092 0.286 -1.333 1.736 + 1292TIP3 H145093 0.224 -1.377 1.676 + 1292TIP3 H245094 0.257 -1.355 1.824 + 1292TIP3 OH245095 1.016 -1.409 2.570 + 1292TIP3 H145096 1.065 -1.353 2.506 + 1292TIP3 H245097 0.930 -1.421 2.525 + 1293TIP3 OH245098 0.658 -2.021 1.501 + 1293TIP3 H145099 0.581 -1.970 1.476 + 1293TIP3 H245100 0.719 -1.949 1.531 + 1293TIP3 OH245101 0.461 -1.322 2.830 + 1293TIP3 H145102 0.428 -1.355 2.914 + 1293TIP3 H245103 0.428 -1.231 2.828 + 1293TIP3 OH245104 0.780 -1.827 1.649 + 1293TIP3 H145105 0.859 -1.849 1.703 + 1293TIP3 H245106 0.805 -1.742 1.611 + 1293TIP3 OH245107 -0.186 -1.388 2.278 + 1293TIP3 H145108 -0.138 -1.403 2.195 + 1293TIP3 H245109 -0.192 -1.477 2.315 + 1293TIP3 OH245110 0.580 -1.216 1.608 + 1293TIP3 H145111 0.589 -1.265 1.525 + 1293TIP3 H245112 0.541 -1.133 1.578 + 1293TIP3 OH245113 -0.479 -1.553 2.813 + 1293TIP3 H145114 -0.450 -1.606 2.889 + 1293TIP3 H245115 -0.522 -1.618 2.755 + 1293TIP3 OH245116 0.227 -1.609 2.999 + 1293TIP3 H145117 0.198 -1.630 2.908 + 1293TIP3 H245118 0.320 -1.637 2.993 + 1293TIP3 OH245119 0.686 -1.064 2.776 + 1293TIP3 H145120 0.589 -1.057 2.767 + 1293TIP3 H245121 0.699 -1.038 2.868 + 1293TIP3 OH245122 1.235 -1.837 1.650 + 1293TIP3 H145123 1.184 -1.857 1.569 + 1293TIP3 H245124 1.257 -1.745 1.631 + 1293TIP3 OH245125 1.283 -1.254 2.932 + 1293TIP3 H145126 1.189 -1.233 2.913 + 1293TIP3 H245127 1.316 -1.273 2.842 + 1294TIP3 OH245128 1.121 -0.947 1.776 + 1294TIP3 H145129 1.054 -1.016 1.787 + 1294TIP3 H245130 1.117 -0.926 1.682 + 1294TIP3 OH245131 0.781 -1.466 2.402 + 1294TIP3 H145132 0.688 -1.480 2.376 + 1294TIP3 H245133 0.826 -1.536 2.350 + 1294TIP3 OH245134 -0.379 -1.498 1.469 + 1294TIP3 H145135 -0.327 -1.555 1.525 + 1294TIP3 H245136 -0.471 -1.520 1.498 + 1294TIP3 OH245137 0.190 -1.237 2.040 + 1294TIP3 H145138 0.182 -1.175 1.967 + 1294TIP3 H245139 0.130 -1.310 2.016 + 1294TIP3 OH245140 0.244 -0.861 2.602 + 1294TIP3 H145141 0.298 -0.786 2.569 + 1294TIP3 H245142 0.310 -0.909 2.655 + 1294TIP3 OH245143 0.587 -1.286 2.560 + 1294TIP3 H145144 0.557 -1.316 2.647 + 1294TIP3 H245145 0.659 -1.349 2.540 + 1294TIP3 OH245146 0.880 -0.829 2.798 + 1294TIP3 H145147 0.804 -0.875 2.757 + 1294TIP3 H245148 0.889 -0.750 2.741 + 1294TIP3 OH245149 -0.339 -2.087 2.776 + 1294TIP3 H145150 -0.426 -2.066 2.737 + 1294TIP3 H245151 -0.352 -2.181 2.799 + 1294TIP3 OH245152 0.940 -1.296 1.652 + 1294TIP3 H145153 0.885 -1.357 1.702 + 1294TIP3 H245154 1.015 -1.281 1.711 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-0.016 -1.838 3.048 + 1297TIP3 OH245233 0.188 -2.416 2.697 + 1297TIP3 H145234 0.172 -2.321 2.680 + 1297TIP3 H245235 0.118 -2.457 2.642 + 1297TIP3 OH245236 0.313 -1.958 3.075 + 1297TIP3 H145237 0.275 -1.978 3.162 + 1297TIP3 H245238 0.234 -1.974 3.018 + 1297TIP3 OH245239 0.567 -2.052 2.960 + 1297TIP3 H145240 0.478 -2.046 3.000 + 1297TIP3 H245241 0.612 -2.115 3.020 + 1297TIP3 OH245242 0.753 -2.204 3.134 + 1297TIP3 H145243 0.735 -2.298 3.151 + 1297TIP3 H245244 0.733 -2.162 3.220 + 1297TIP3 OH245245 -0.226 -2.063 3.080 + 1297TIP3 H145246 -0.240 -2.128 3.010 + 1297TIP3 H245247 -0.256 -2.112 3.159 + 1298TIP3 OH245248 0.169 -2.466 2.977 + 1298TIP3 H145249 0.231 -2.540 2.981 + 1298TIP3 H245250 0.165 -2.450 2.881 + 1298TIP3 OH245251 0.263 -2.280 3.164 + 1298TIP3 H145252 0.235 -2.338 3.091 + 1298TIP3 H245253 0.196 -2.210 3.163 + 1298TIP3 OH245254 -0.511 -0.785 2.122 + 1298TIP3 H145255 -0.525 -0.881 2.120 + 1298TIP3 H245256 -0.459 -0.773 2.201 + 1298TIP3 OH245257 1.257 -0.687 2.437 + 1298TIP3 H145258 1.273 -0.690 2.533 + 1298TIP3 H245259 1.342 -0.654 2.404 + 1298TIP3 OH245260 1.247 -0.742 2.725 + 1298TIP3 H145261 1.193 -0.815 2.689 + 1298TIP3 H245262 1.300 -0.791 2.790 + 1298TIP3 OH245263 1.046 -1.200 3.155 + 1298TIP3 H145264 0.957 -1.192 3.194 + 1298TIP3 H245265 1.090 -1.119 3.185 + 1298TIP3 OH245266 1.238 -1.510 1.894 + 1298TIP3 H145267 1.159 -1.546 1.937 + 1298TIP3 H245268 1.292 -1.477 1.968 + 1298TIP3 OH245269 1.207 -1.263 2.427 + 1298TIP3 H145270 1.265 -1.311 2.365 + 1298TIP3 H245271 1.212 -1.173 2.392 + 1298TIP3 OH245272 1.076 -0.973 2.649 + 1298TIP3 H145273 1.002 -0.931 2.696 + 1298TIP3 H245274 1.031 -1.005 2.568 + 1298TIP3 OH245275 1.092 -1.813 1.398 + 1298TIP3 H145276 1.110 -1.749 1.328 + 1298TIP3 H245277 1.066 -1.893 1.349 + 1299TIP3 OH245278 1.023 -1.686 1.995 + 1299TIP3 H145279 1.015 -1.781 1.979 + 1299TIP3 H245280 0.987 -1.677 2.085 + 1299TIP3 OH245281 -0.493 -1.476 2.375 + 1299TIP3 H145282 -0.471 -1.475 2.279 + 1299TIP3 H245283 -0.405 -1.502 2.412 + 1299TIP3 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2.376 -1.537 2.337 + 1303TIP3 H145414 2.382 -1.591 2.418 + 1303TIP3 H245415 2.357 -1.604 2.270 + 1303TIP3 OH245416 1.634 -1.573 2.498 + 1303TIP3 H145417 1.626 -1.649 2.560 + 1303TIP3 H245418 1.700 -1.519 2.544 + 1303TIP3 OH245419 2.755 -1.260 2.167 + 1303TIP3 H145420 2.714 -1.332 2.216 + 1303TIP3 H245421 2.774 -1.197 2.238 + 1303TIP3 OH245422 1.693 -1.121 2.351 + 1303TIP3 H145423 1.671 -1.210 2.318 + 1303TIP3 H245424 1.787 -1.133 2.374 + 1303TIP3 OH245425 1.386 -1.772 1.903 + 1303TIP3 H145426 1.350 -1.681 1.906 + 1303TIP3 H245427 1.321 -1.815 1.846 + 1304TIP3 OH245428 1.461 -1.522 2.084 + 1304TIP3 H145429 1.474 -1.611 2.122 + 1304TIP3 H245430 1.539 -1.512 2.029 + 1304TIP3 OH245431 2.461 -0.725 2.227 + 1304TIP3 H145432 2.518 -0.799 2.199 + 1304TIP3 H245433 2.427 -0.758 2.311 + 1304TIP3 OH245434 2.233 -1.286 2.389 + 1304TIP3 H145435 2.267 -1.362 2.338 + 1304TIP3 H245436 2.311 -1.270 2.445 + 1304TIP3 OH245437 3.096 -2.133 2.455 + 1304TIP3 H145438 3.119 -2.078 2.531 + 1304TIP3 H245439 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1.957 -1.324 2.607 + 1305TIP3 H245466 2.093 -1.320 2.539 + 1305TIP3 OH245467 2.829 -2.111 2.188 + 1305TIP3 H145468 2.785 -2.170 2.250 + 1305TIP3 H245469 2.877 -2.050 2.247 + 1305TIP3 OH245470 1.697 -1.969 2.363 + 1305TIP3 H145471 1.762 -1.911 2.410 + 1305TIP3 H245472 1.755 -2.006 2.293 + 1305TIP3 OH245473 1.829 -1.198 2.652 + 1305TIP3 H145474 1.826 -1.105 2.622 + 1305TIP3 H245475 1.743 -1.204 2.697 + 1305TIP3 OH245476 2.807 -1.080 2.417 + 1305TIP3 H145477 2.709 -1.072 2.422 + 1305TIP3 H245478 2.830 -0.993 2.381 + 1305TIP3 OH245479 2.840 -2.188 2.573 + 1305TIP3 H145480 2.761 -2.152 2.527 + 1305TIP3 H245481 2.910 -2.174 2.507 + 1305TIP3 OH245482 2.152 -2.423 2.278 + 1305TIP3 H145483 2.129 -2.518 2.272 + 1305TIP3 H245484 2.070 -2.385 2.314 + 1305TIP3 OH245485 2.655 -0.890 2.095 + 1305TIP3 H145486 2.681 -0.967 2.043 + 1305TIP3 H245487 2.663 -0.818 2.032 + 1306TIP3 OH245488 2.796 -1.093 1.925 + 1306TIP3 H145489 2.750 -1.140 1.854 + 1306TIP3 H245490 2.783 -1.155 1.999 + 1306TIP3 OH245491 2.935 -1.219 2.786 + 1306TIP3 H145492 2.924 -1.285 2.715 + 1306TIP3 H245493 2.947 -1.136 2.736 + 1306TIP3 OH245494 2.346 -1.523 1.753 + 1306TIP3 H145495 2.294 -1.457 1.704 + 1306TIP3 H245496 2.426 -1.525 1.697 + 1306TIP3 OH245497 2.391 -1.732 1.484 + 1306TIP3 H145498 2.459 -1.673 1.519 + 1306TIP3 H245499 2.431 -1.758 1.401 + 1306TIP3 OH245500 3.114 -1.600 2.578 + 1306TIP3 H145501 3.039 -1.538 2.589 + 1306TIP3 H245502 3.157 -1.563 2.498 + 1306TIP3 OH245503 2.717 -1.526 1.867 + 1306TIP3 H145504 2.646 -1.506 1.932 + 1306TIP3 H245505 2.771 -1.589 1.918 + 1306TIP3 OH245506 2.697 -1.676 2.747 + 1306TIP3 H145507 2.701 -1.595 2.801 + 1306TIP3 H245508 2.631 -1.647 2.681 + 1306TIP3 OH245509 2.005 -1.115 2.319 + 1306TIP3 H145510 2.000 -1.136 2.225 + 1306TIP3 H245511 2.087 -1.159 2.347 + 1306TIP3 OH245512 1.935 -1.566 2.386 + 1306TIP3 H145513 2.000 -1.556 2.316 + 1306TIP3 H245514 1.969 -1.505 2.454 + 1306TIP3 OH245515 2.529 -1.021 2.448 + 1306TIP3 H145516 2.527 -0.953 2.518 + 1306TIP3 H245517 2.502 -1.102 2.495 + 1307TIP3 OH245518 2.015 -1.138 2.872 + 1307TIP3 H145519 1.964 -1.073 2.923 + 1307TIP3 H245520 1.950 -1.165 2.805 + 1307TIP3 OH245521 2.606 -1.586 1.614 + 1307TIP3 H145522 2.658 -1.552 1.689 + 1307TIP3 H245523 2.646 -1.536 1.538 + 1307TIP3 OH245524 1.708 -1.498 2.783 + 1307TIP3 H145525 1.713 -1.442 2.863 + 1307TIP3 H245526 1.612 -1.513 2.777 + 1307TIP3 OH245527 2.359 -0.924 1.967 + 1307TIP3 H145528 2.399 -0.884 2.044 + 1307TIP3 H245529 2.312 -0.849 1.927 + 1307TIP3 OH245530 1.825 -0.921 2.955 + 1307TIP3 H145531 1.813 -0.918 2.859 + 1307TIP3 H245532 1.737 -0.947 2.988 + 1307TIP3 OH245533 2.953 -2.411 1.561 + 1307TIP3 H145534 2.864 -2.402 1.598 + 1307TIP3 H245535 2.986 -2.320 1.565 + 1307TIP3 OH245536 3.063 -0.989 1.462 + 1307TIP3 H145537 3.092 -0.896 1.461 + 1307TIP3 H245538 3.146 -1.039 1.456 + 1307TIP3 OH245539 1.372 -1.309 2.667 + 1307TIP3 H145540 1.326 -1.307 2.581 + 1307TIP3 H245541 1.383 -1.405 2.682 + 1307TIP3 OH245542 1.378 -1.014 2.359 + 1307TIP3 H145543 1.469 -1.045 2.366 + 1307TIP3 H245544 1.370 -0.957 2.437 + 1307TIP3 OH245545 3.213 -0.957 2.934 + 1307TIP3 H145546 3.203 -1.053 2.922 + 1307TIP3 H245547 3.124 -0.932 2.966 + 1308TIP3 OH245548 2.279 -1.033 2.816 + 1308TIP3 H145549 2.286 -0.952 2.870 + 1308TIP3 H245550 2.189 -1.064 2.840 + 1308TIP3 OH245551 2.299 -0.649 1.827 + 1308TIP3 H145552 2.298 -0.657 1.729 + 1308TIP3 H245553 2.325 -0.557 1.840 + 1308TIP3 OH245554 1.642 -0.692 1.980 + 1308TIP3 H145555 1.687 -0.740 2.052 + 1308TIP3 H245556 1.590 -0.769 1.945 + 1308TIP3 OH245557 2.648 -0.725 1.492 + 1308TIP3 H145558 2.678 -0.800 1.437 + 1308TIP3 H245559 2.633 -0.762 1.578 + 1308TIP3 OH245560 2.598 -0.741 1.845 + 1308TIP3 H145561 2.515 -0.708 1.806 + 1308TIP3 H245562 2.593 -0.834 1.824 + 1308TIP3 OH245563 2.892 -1.821 2.979 + 1308TIP3 H145564 2.845 -1.787 2.902 + 1308TIP3 H245565 2.908 -1.914 2.953 + 1308TIP3 OH245566 1.590 -1.155 2.790 + 1308TIP3 H145567 1.616 -1.201 2.872 + 1308TIP3 H245568 1.515 -1.209 2.758 + 1308TIP3 OH245569 1.910 -2.307 2.368 + 1308TIP3 H145570 1.828 -2.315 2.316 + 1308TIP3 H245571 1.884 -2.236 2.428 + 1308TIP3 OH245572 2.346 -2.351 2.732 + 1308TIP3 H145573 2.398 -2.403 2.796 + 1308TIP3 H245574 2.256 -2.384 2.745 + 1308TIP3 OH245575 2.657 -1.975 2.778 + 1308TIP3 H145576 2.609 -1.992 2.861 + 1308TIP3 H245577 2.659 -1.878 2.772 + 1309TIP3 OH245578 2.773 -1.493 1.411 + 1309TIP3 H145579 2.733 -1.492 1.322 + 1309TIP3 H245580 2.855 -1.444 1.397 + 1309TIP3 OH245581 2.330 -2.104 1.460 + 1309TIP3 H145582 2.277 -2.114 1.540 + 1309TIP3 H245583 2.284 -2.166 1.400 + 1309TIP3 OH245584 1.895 -1.830 2.508 + 1309TIP3 H145585 1.839 -1.821 2.587 + 1309TIP3 H245586 1.901 -1.737 2.476 + 1309TIP3 OH245587 1.882 -1.793 1.972 + 1309TIP3 H145588 1.789 -1.821 1.968 + 1309TIP3 H245589 1.918 -1.843 1.895 + 1309TIP3 OH245590 2.451 -1.760 1.875 + 1309TIP3 H145591 2.407 -1.683 1.833 + 1309TIP3 H245592 2.518 -1.781 1.808 + 1309TIP3 OH245593 2.368 -1.745 3.011 + 1309TIP3 H145594 2.319 -1.821 3.046 + 1309TIP3 H245595 2.457 -1.758 3.050 + 1309TIP3 OH245596 2.532 -1.825 2.153 + 1309TIP3 H145597 2.505 -1.769 2.077 + 1309TIP3 H245598 2.555 -1.907 2.105 + 1309TIP3 OH245599 1.629 -1.812 2.691 + 1309TIP3 H145600 1.658 -1.782 2.778 + 1309TIP3 H245601 1.594 -1.900 2.711 + 1309TIP3 OH245602 1.972 -2.055 1.350 + 1309TIP3 H145603 1.932 -2.093 1.431 + 1309TIP3 H245604 1.894 -2.035 1.297 + 1309TIP3 OH245605 1.312 -2.069 2.059 + 1309TIP3 H145606 1.375 -2.072 2.133 + 1309TIP3 H245607 1.363 -2.105 1.984 + 1310TIP3 OH245608 1.470 -2.017 1.632 + 1310TIP3 H145609 1.521 -1.972 1.561 + 1310TIP3 H245610 1.399 -1.952 1.646 + 1310TIP3 OH245611 2.445 -1.658 2.597 + 1310TIP3 H145612 2.490 -1.731 2.548 + 1310TIP3 H245613 2.413 -1.705 2.675 + 1310TIP3 OH245614 2.166 -2.062 2.100 + 1310TIP3 H145615 2.072 -2.072 2.122 + 1310TIP3 H245616 2.208 -2.083 2.185 + 1310TIP3 OH245617 1.624 -1.938 1.965 + 1310TIP3 H145618 1.541 -1.910 1.923 + 1310TIP3 H245619 1.648 -2.018 1.916 + 1310TIP3 OH245620 1.990 -1.892 1.740 + 1310TIP3 H145621 2.086 -1.902 1.731 + 1310TIP3 H245622 1.962 -1.856 1.654 + 1310TIP3 OH245623 2.605 -2.148 2.399 + 1310TIP3 H145624 2.544 -2.148 2.477 + 1310TIP3 H245625 2.545 -2.182 2.331 + 1310TIP3 OH245626 1.844 -1.784 1.516 + 1310TIP3 H145627 1.772 -1.805 1.455 + 1310TIP3 H245628 1.916 -1.762 1.454 + 1310TIP3 OH245629 2.905 -0.571 3.069 + 1310TIP3 H145630 2.930 -0.526 2.987 + 1310TIP3 H245631 2.974 -0.542 3.130 + 1310TIP3 OH245632 1.697 -1.309 3.010 + 1310TIP3 H145633 1.764 -1.300 3.081 + 1310TIP3 H245634 1.616 -1.312 3.065 + 1310TIP3 OH245635 2.259 -1.799 2.274 + 1310TIP3 H145636 2.332 -1.844 2.230 + 1310TIP3 H245637 2.242 -1.859 2.350 + 1311TIP3 OH245638 1.801 -2.167 1.903 + 1311TIP3 H145639 1.741 -2.243 1.913 + 1311TIP3 H245640 1.877 -2.207 1.858 + 1311TIP3 OH245641 2.168 -1.957 2.501 + 1311TIP3 H145642 2.088 -1.904 2.510 + 1311TIP3 H245643 2.217 -1.937 2.584 + 1311TIP3 OH245644 2.170 -1.320 1.686 + 1311TIP3 H145645 2.090 -1.363 1.652 + 1311TIP3 H245646 2.152 -1.307 1.780 + 1311TIP3 OH245647 2.902 -1.408 2.569 + 1311TIP3 H145648 2.950 -1.353 2.503 + 1311TIP3 H245649 2.816 -1.420 2.526 + 1311TIP3 OH245650 2.595 -2.039 1.475 + 1311TIP3 H145651 2.497 -2.042 1.468 + 1311TIP3 H245652 2.610 -1.964 1.536 + 1311TIP3 OH245653 2.343 -1.322 2.828 + 1311TIP3 H145654 2.315 -1.356 2.914 + 1311TIP3 H245655 2.312 -1.231 2.830 + 1311TIP3 OH245656 2.662 -1.858 1.683 + 1311TIP3 H145657 2.753 -1.871 1.717 + 1311TIP3 H245658 2.666 -1.770 1.640 + 1311TIP3 OH245659 1.709 -1.393 2.255 + 1311TIP3 H145660 1.790 -1.408 2.206 + 1311TIP3 H245661 1.703 -1.474 2.309 + 1311TIP3 OH245662 2.428 -1.195 1.615 + 1311TIP3 H145663 2.391 -1.105 1.611 + 1311TIP3 H245664 2.352 -1.246 1.581 + 1311TIP3 OH245665 1.420 -1.558 2.805 + 1311TIP3 H145666 1.434 -1.602 2.891 + 1311TIP3 H245667 1.357 -1.617 2.760 + 1312TIP3 OH245668 2.117 -1.605 3.002 + 1312TIP3 H145669 2.083 -1.633 2.915 + 1312TIP3 H245670 2.209 -1.635 2.996 + 1312TIP3 OH245671 2.570 -1.060 2.775 + 1312TIP3 H145672 2.473 -1.055 2.770 + 1312TIP3 H245673 2.586 -1.039 2.868 + 1312TIP3 OH245674 3.123 -1.861 1.653 + 1312TIP3 H145675 3.068 -1.878 1.575 + 1312TIP3 H245676 3.136 -1.765 1.640 + 1312TIP3 OH245677 3.168 -1.254 2.932 + 1312TIP3 H145678 3.073 -1.234 2.916 + 1312TIP3 H245679 3.199 -1.272 2.842 + 1312TIP3 OH245680 2.668 -1.464 2.400 + 1312TIP3 H145681 2.575 -1.479 2.377 + 1312TIP3 H245682 2.711 -1.537 2.351 + 1312TIP3 OH245683 1.929 -1.060 2.019 + 1312TIP3 H145684 1.974 -0.980 1.987 + 1312TIP3 H245685 1.845 -1.051 1.970 + 1312TIP3 OH245686 1.520 -1.571 1.485 + 1312TIP3 H145687 1.586 -1.505 1.512 + 1312TIP3 H245688 1.439 -1.521 1.497 + 1312TIP3 OH245689 2.066 -1.326 1.964 + 1312TIP3 H145690 2.092 -1.232 1.962 + 1312TIP3 H245691 2.000 -1.320 2.033 + 1312TIP3 OH245692 2.131 -0.862 2.601 + 1312TIP3 H145693 2.186 -0.787 2.574 + 1312TIP3 H245694 2.191 -0.910 2.659 + 1312TIP3 OH245695 1.968 -0.769 1.933 + 1312TIP3 H145696 1.875 -0.755 1.914 + 1312TIP3 H245697 2.000 -0.678 1.946 + 1313TIP3 OH245698 2.471 -1.287 2.559 + 1313TIP3 H145699 2.441 -1.314 2.648 + 1313TIP3 H245700 2.545 -1.347 2.543 + 1313TIP3 OH245701 2.700 -1.161 1.453 + 1313TIP3 H145702 2.724 -1.210 1.533 + 1313TIP3 H245703 2.603 -1.168 1.456 + 1313TIP3 OH245704 2.767 -0.831 2.796 + 1313TIP3 H145705 2.690 -0.878 2.758 + 1313TIP3 H245706 2.773 -0.751 2.743 + 1313TIP3 OH245707 3.165 -0.727 1.509 + 1313TIP3 H145708 3.229 -0.663 1.475 + 1313TIP3 H245709 3.086 -0.670 1.512 + 1313TIP3 OH245710 1.550 -2.092 2.766 + 1313TIP3 H145711 1.459 -2.066 2.741 + 1313TIP3 H245712 1.535 -2.179 2.807 + 1313TIP3 OH245713 2.786 -1.291 1.692 + 1313TIP3 H145714 2.763 -1.367 1.748 + 1313TIP3 H245715 2.883 -1.287 1.699 + 1313TIP3 OH245716 1.529 -0.915 2.604 + 1313TIP3 H145717 1.555 -1.007 2.620 + 1313TIP3 H245718 1.548 -0.876 2.690 + 1313TIP3 OH245719 2.122 -1.049 1.306 + 1313TIP3 H145720 2.166 -1.113 1.246 + 1313TIP3 H245721 2.058 -1.105 1.352 + 1313TIP3 OH245722 1.973 -1.086 1.661 + 1313TIP3 H145723 2.033 -1.153 1.629 + 1313TIP3 H245724 1.969 -1.024 1.587 + 1313TIP3 OH245725 1.687 -1.356 1.652 + 1313TIP3 H145726 1.597 -1.322 1.665 + 1313TIP3 H245727 1.716 -1.286 1.591 + 1314TIP3 OH245728 2.449 -2.107 2.622 + 1314TIP3 H145729 2.513 -2.080 2.690 + 1314TIP3 H245730 2.401 -2.180 2.665 + 1314TIP3 OH245731 2.510 -2.164 1.748 + 1314TIP3 H145732 2.525 -2.112 1.668 + 1314TIP3 H245733 2.557 -2.112 1.815 + 1314TIP3 OH245734 2.297 -0.944 1.643 + 1314TIP3 H145735 2.209 -0.906 1.652 + 1314TIP3 H245736 2.333 -0.887 1.572 + 1314TIP3 OH245737 2.252 -1.965 1.842 + 1314TIP3 H145738 2.329 -1.906 1.855 + 1314TIP3 H245739 2.224 -1.982 1.934 + 1314TIP3 OH245740 2.289 -1.874 2.757 + 1314TIP3 H145741 2.294 -1.823 2.840 + 1314TIP3 H245742 2.343 -1.951 2.779 + 1314TIP3 OH245743 2.311 -2.264 1.936 + 1314TIP3 H145744 2.292 -2.194 2.002 + 1314TIP3 H245745 2.383 -2.222 1.885 + 1314TIP3 OH245746 2.009 -0.780 1.608 + 1314TIP3 H145747 2.063 -0.703 1.590 + 1314TIP3 H245748 2.003 -0.784 1.704 + 1314TIP3 OH245749 1.883 -2.165 1.589 + 1314TIP3 H145750 1.882 -2.089 1.649 + 1314TIP3 H245751 1.965 -2.210 1.615 + 1314TIP3 OH245752 2.932 -2.065 2.846 + 1314TIP3 H145753 2.838 -2.084 2.850 + 1314TIP3 H245754 2.953 -2.111 2.764 + 1314TIP3 OH245755 2.768 -1.690 2.247 + 1314TIP3 H145756 2.684 -1.734 2.223 + 1314TIP3 H245757 2.816 -1.760 2.296 + 1315TIP3 OH245758 1.533 -1.855 1.415 + 1315TIP3 H145759 1.542 -1.759 1.426 + 1315TIP3 H245760 1.467 -1.860 1.343 + 1315TIP3 OH245761 2.871 -0.804 2.382 + 1315TIP3 H145762 2.852 -0.719 2.338 + 1315TIP3 H245763 2.960 -0.787 2.416 + 1315TIP3 OH245764 1.632 -2.353 2.286 + 1315TIP3 H145765 1.613 -2.355 2.190 + 1315TIP3 H245766 1.597 -2.439 2.316 + 1315TIP3 OH245767 1.532 -0.939 1.889 + 1315TIP3 H145768 1.437 -0.959 1.888 + 1315TIP3 H245769 1.557 -0.966 1.799 + 1315TIP3 OH245770 1.461 -0.712 3.027 + 1315TIP3 H145771 1.518 -0.740 3.101 + 1315TIP3 H245772 1.421 -0.798 3.000 + 1315TIP3 OH245773 1.929 -0.806 3.206 + 1315TIP3 H145774 1.998 -0.870 3.228 + 1315TIP3 H245775 1.906 -0.833 3.116 + 1315TIP3 OH245776 2.341 -0.883 1.346 + 1315TIP3 H145777 2.259 -0.936 1.332 + 1315TIP3 H245778 2.397 -0.926 1.278 + 1315TIP3 OH245779 2.579 -0.980 3.063 + 1315TIP3 H145780 2.538 -1.060 3.102 + 1315TIP3 H245781 2.646 -0.957 3.130 + 1315TIP3 OH245782 2.801 -0.894 1.347 + 1315TIP3 H145783 2.827 -0.978 1.386 + 1315TIP3 H245784 2.868 -0.875 1.280 + 1315TIP3 OH245785 1.456 -1.349 3.140 + 1315TIP3 H145786 1.464 -1.440 3.107 + 1315TIP3 H245787 1.378 -1.319 3.089 + 1316TIP3 OH245788 1.935 -1.309 1.369 + 1316TIP3 H145789 1.871 -1.379 1.381 + 1316TIP3 H245790 1.945 -1.307 1.273 + 1316TIP3 OH245791 2.119 -1.330 3.074 + 1316TIP3 H145792 2.087 -1.298 2.988 + 1316TIP3 H245793 2.126 -1.427 3.060 + 1316TIP3 OH245794 2.655 -1.369 2.812 + 1316TIP3 H145795 2.733 -1.313 2.796 + 1316TIP3 H245796 2.585 -1.303 2.813 + 1316TIP3 OH245797 1.542 -1.635 3.057 + 1316TIP3 H145798 1.615 -1.700 3.058 + 1316TIP3 H245799 1.536 -1.614 3.152 + 1316TIP3 OH245800 1.984 -1.536 1.630 + 1316TIP3 H145801 1.892 -1.560 1.613 + 1316TIP3 H245802 2.019 -1.550 1.539 + 1316TIP3 OH245803 1.906 -1.724 2.799 + 1316TIP3 H145804 1.854 -1.645 2.821 + 1316TIP3 H245805 1.973 -1.687 2.740 + 1316TIP3 OH245806 2.078 -1.693 1.388 + 1316TIP3 H145807 2.073 -1.669 1.293 + 1316TIP3 H245808 2.174 -1.692 1.402 + 1316TIP3 OH245809 2.438 -1.452 3.155 + 1316TIP3 H145810 2.529 -1.471 3.127 + 1316TIP3 H245811 2.412 -1.536 3.196 + 1316TIP3 OH245812 3.045 -1.446 1.328 + 1316TIP3 H145813 3.011 -1.483 1.245 + 1316TIP3 H245814 3.023 -1.351 1.315 + 1316TIP3 OH245815 1.967 -1.993 2.915 + 1316TIP3 H145816 1.973 -2.059 2.844 + 1316TIP3 H245817 1.945 -1.913 2.864 + 1317TIP3 OH245818 2.000 -2.146 2.660 + 1317TIP3 H145819 2.051 -2.095 2.594 + 1317TIP3 H245820 1.909 -2.144 2.624 + 1317TIP3 OH245821 2.153 -1.602 2.699 + 1317TIP3 H145822 2.238 -1.612 2.654 + 1317TIP3 H245823 2.125 -1.514 2.670 + 1317TIP3 OH245824 2.614 -1.810 3.179 + 1317TIP3 H145825 2.636 -1.903 3.191 + 1317TIP3 H245826 2.702 -1.770 3.173 + 1317TIP3 OH245827 2.709 -1.529 3.027 + 1317TIP3 H145828 2.677 -1.468 2.958 + 1317TIP3 H245829 2.798 -1.550 2.991 + 1317TIP3 OH245830 1.788 -1.809 3.095 + 1317TIP3 H145831 1.734 -1.890 3.095 + 1317TIP3 H245832 1.869 -1.839 3.050 + 1317TIP3 OH245833 2.072 -2.414 2.696 + 1317TIP3 H145834 2.055 -2.319 2.679 + 1317TIP3 H245835 2.002 -2.455 2.641 + 1317TIP3 OH245836 2.198 -1.956 3.075 + 1317TIP3 H145837 2.163 -1.978 3.163 + 1317TIP3 H245838 2.118 -1.976 3.020 + 1317TIP3 OH245839 2.452 -2.052 2.961 + 1317TIP3 H145840 2.364 -2.048 3.003 + 1317TIP3 H245841 2.500 -2.114 3.020 + 1317TIP3 OH245842 2.629 -2.201 3.132 + 1317TIP3 H145843 2.626 -2.297 3.148 + 1317TIP3 H245844 2.622 -2.162 3.221 + 1317TIP3 OH245845 1.656 -2.063 3.078 + 1317TIP3 H145846 1.645 -2.133 3.012 + 1317TIP3 H245847 1.631 -2.110 3.160 + 1318TIP3 OH245848 2.056 -2.466 2.977 + 1318TIP3 H145849 2.117 -2.541 2.981 + 1318TIP3 H245850 2.052 -2.450 2.881 + 1318TIP3 OH245851 2.149 -2.280 3.164 + 1318TIP3 H145852 2.119 -2.338 3.091 + 1318TIP3 H245853 2.081 -2.210 3.164 + 1318TIP3 OH245854 1.343 -0.615 1.915 + 1318TIP3 H145855 1.262 -0.646 1.871 + 1318TIP3 H245856 1.347 -0.682 1.988 + 1318TIP3 OH245857 1.385 -0.800 2.134 + 1318TIP3 H145858 1.359 -0.892 2.148 + 1318TIP3 H245859 1.415 -0.778 2.223 + 1318TIP3 OH245860 3.145 -0.682 2.435 + 1318TIP3 H145861 3.154 -0.691 2.531 + 1318TIP3 H245862 3.235 -0.661 2.408 + 1318TIP3 OH245863 3.132 -0.742 2.722 + 1318TIP3 H145864 3.078 -0.817 2.692 + 1318TIP3 H245865 3.185 -0.786 2.790 + 1318TIP3 OH245866 2.931 -1.199 3.153 + 1318TIP3 H145867 2.843 -1.193 3.194 + 1318TIP3 H245868 2.977 -1.120 3.187 + 1318TIP3 OH245869 3.084 -1.304 1.732 + 1318TIP3 H145870 3.175 -1.281 1.755 + 1318TIP3 H245871 3.064 -1.372 1.799 + 1318TIP3 OH245872 3.117 -1.512 1.924 + 1318TIP3 H145873 3.047 -1.569 1.963 + 1318TIP3 H245874 3.183 -1.506 1.996 + 1318TIP3 OH245875 3.089 -1.265 2.422 + 1318TIP3 H145876 3.155 -1.312 2.368 + 1318TIP3 H245877 3.100 -1.173 2.393 + 1319TIP3 OH245878 2.961 -0.969 2.643 + 1319TIP3 H145879 2.890 -0.932 2.698 + 1319TIP3 H245880 2.912 -1.009 2.569 + 1319TIP3 OH245881 3.154 -1.564 1.579 + 1319TIP3 H145882 3.098 -1.543 1.503 + 1319TIP3 H245883 3.131 -1.491 1.639 + 1319TIP3 OH245884 2.986 -1.817 1.407 + 1319TIP3 H145885 2.983 -1.753 1.335 + 1319TIP3 H245886 2.948 -1.897 1.365 + 1319TIP3 OH245887 2.914 -1.700 2.008 + 1319TIP3 H145888 2.903 -1.795 1.990 + 1319TIP3 H245889 2.872 -1.691 2.096 + 1319TIP3 OH245890 1.397 -1.479 2.374 + 1319TIP3 H145891 1.418 -1.475 2.279 + 1319TIP3 H245892 1.485 -1.502 2.412 + 1319TIP3 OH245893 2.975 -1.510 2.922 + 1319TIP3 H145894 3.046 -1.575 2.939 + 1319TIP3 H245895 3.023 -1.428 2.908 + 1319TIP3 OH245896 3.133 -1.708 3.031 + 1319TIP3 H145897 3.049 -1.757 3.017 + 1319TIP3 H245898 3.196 -1.783 3.037 + 1319TIP3 OH245899 2.916 -2.077 1.329 + 1319TIP3 H145900 2.970 -2.129 1.391 + 1319TIP3 H245901 2.834 -2.129 1.320 + 1319TIP3 OH245902 2.900 -1.950 1.827 + 1319TIP3 H145903 2.921 -2.046 1.830 + 1319TIP3 H245904 2.979 -1.915 1.783 + 1319TIP3 OH245905 2.921 -1.889 2.368 + 1319TIP3 H145906 3.019 -1.882 2.369 + 1319TIP3 H245907 2.904 -1.890 2.464 + 1320TIP3 OH245908 2.937 -1.819 2.646 + 1320TIP3 H145909 2.851 -1.784 2.676 + 1320TIP3 H245910 2.988 -1.737 2.630 + 1320TIP3 OH245911 1.387 -1.943 3.017 + 1320TIP3 H145912 1.480 -1.970 3.021 + 1320TIP3 H245913 1.342 -2.029 3.024 + 1320TIP3 OH245914 2.945 -2.230 1.822 + 1320TIP3 H145915 2.953 -2.264 1.913 + 1320TIP3 H245916 2.865 -2.278 1.792 + 1320TIP3 OH245917 1.464 -2.110 2.296 + 1320TIP3 H145918 1.508 -2.196 2.305 + 1320TIP3 H245919 1.531 -2.050 2.334 + 1320TIP3 OH245920 1.320 -1.844 2.404 + 1320TIP3 H145921 1.373 -1.845 2.323 + 1320TIP3 H245922 1.353 -1.764 2.447 + 1320TIP3 OH245923 3.142 -2.182 1.491 + 1320TIP3 H145924 3.171 -2.262 1.443 + 1320TIP3 H245925 3.223 -2.130 1.496 + 1320TIP3 OH245926 1.367 -2.208 1.807 + 1320TIP3 H145927 1.272 -2.204 1.787 + 1320TIP3 H245928 1.406 -2.147 1.741 + 1320TIP3 OH245929 2.887 -0.636 1.989 + 1320TIP3 H145930 2.859 -0.718 1.947 + 1320TIP3 H245931 2.895 -0.659 2.082 + 1320TIP3 OH245932 1.372 -2.320 2.622 + 1320TIP3 H145933 1.300 -2.347 2.682 + 1320TIP3 H245934 1.322 -2.267 2.557 + 1320TIP3 OH245935 1.570 -1.010 3.089 + 1320TIP3 H145936 1.497 -1.013 3.026 + 1320TIP3 H245937 1.525 -1.015 3.174 + 1321TIP3 OH245938 1.855 -0.914 2.658 + 1321TIP3 H145939 1.822 -0.829 2.623 + 1321TIP3 H245940 1.950 -0.903 2.640 + 1321TIP3 OH245941 2.306 -0.782 2.958 + 1321TIP3 H145942 2.317 -0.799 3.053 + 1321TIP3 H245943 2.390 -0.737 2.936 + 1321TIP3 OH245944 2.537 -0.634 2.881 + 1321TIP3 H145945 2.603 -0.703 2.863 + 1321TIP3 H245946 2.565 -0.605 2.970 + 1321TIP3 OH245947 1.594 -0.615 2.691 + 1321TIP3 H145948 1.530 -0.555 2.648 + 1321TIP3 H245949 1.558 -0.615 2.781 + 1321TIP3 OH245950 1.845 -0.637 2.550 + 1321TIP3 H145951 1.757 -0.623 2.591 + 1321TIP3 H245952 1.846 -0.570 2.480 + 1321TIP3 OH245953 2.317 -0.640 2.501 + 1321TIP3 H145954 2.276 -0.596 2.425 + 1321TIP3 H245955 2.322 -0.566 2.565 + 1321TIP3 OH245956 2.550 -0.768 2.592 + 1321TIP3 H145957 2.464 -0.734 2.560 + 1321TIP3 H245958 2.602 -0.686 2.595 + 1321TIP3 OH245959 2.806 -0.594 2.614 + 1321TIP3 H145960 2.795 -0.500 2.591 + 1321TIP3 H245961 2.828 -0.632 2.527 + 1321TIP3 OH245962 1.556 -0.727 2.386 + 1321TIP3 H145963 1.550 -0.780 2.468 + 1321TIP3 H245964 1.625 -0.777 2.337 + 1321TIP3 OH245965 1.747 -0.857 2.234 + 1321TIP3 H145966 1.733 -0.953 2.248 + 1321TIP3 H245967 1.841 -0.848 2.257 + 1322TIP3 OH245968 2.030 -0.812 2.318 + 1322TIP3 H145969 2.046 -0.905 2.293 + 1322TIP3 H245970 2.032 -0.820 2.415 + 1322TIP3 OH245971 2.359 -2.226 2.247 + 1322TIP3 H145972 2.291 -2.295 2.263 + 1322TIP3 H245973 2.420 -2.273 2.188 + 1322TIP3 OH245974 2.856 -2.426 2.293 + 1322TIP3 H145975 2.931 -2.379 2.252 + 1322TIP3 H245976 2.781 -2.396 2.239 + 1322TIP3 OH245977 3.064 -2.314 2.081 + 1322TIP3 H145978 3.135 -2.356 2.029 + 1322TIP3 H245979 3.095 -2.223 2.090 + 1322TIP3 OH245980 1.596 -2.356 2.004 + 1322TIP3 H145981 1.510 -2.367 1.959 + 1322TIP3 H245982 1.637 -2.443 1.988 + 1322TIP3 OH245983 1.478 -2.407 1.591 + 1322TIP3 H145984 1.528 -2.341 1.538 + 1322TIP3 H245985 1.435 -2.351 1.657 + 1322TIP3 OH245986 2.043 -2.372 1.991 + 1322TIP3 H145987 2.135 -2.344 1.978 + 1322TIP3 H245988 2.040 -2.383 2.087 + 1322TIP3 OH245989 2.602 -2.368 2.132 + 1322TIP3 H145990 2.627 -2.386 2.040 + 1322TIP3 H245991 2.563 -2.454 2.158 + 1322TIP3 OH245992 2.713 -2.368 1.731 + 1322TIP3 H145993 2.630 -2.318 1.717 + 1322TIP3 H245994 2.678 -2.458 1.744 + 1322TIP3 OH245995 1.645 -2.229 1.440 + 1322TIP3 H145996 1.706 -2.275 1.380 + 1322TIP3 H245997 1.707 -2.191 1.504 + 1323TIP3 OH245998 2.156 -2.205 1.698 + 1323TIP3 H145999 2.191 -2.264 1.766 + 1323TIP3 H246000 2.180 -2.119 1.735 + 1323TIP3 OH246001 2.332 -0.673 1.551 + 1323TIP3 H146002 2.408 -0.615 1.530 + 1323TIP3 H246003 2.318 -0.715 1.464 + 1323TIP3 OH246004 3.018 -0.793 1.760 + 1323TIP3 H146005 2.974 -0.839 1.687 + 1323TIP3 H246006 3.001 -0.701 1.732 + 1323TIP3 OH246007 1.575 -2.332 2.957 + 1323TIP3 H146008 1.535 -2.413 2.992 + 1323TIP3 H246009 1.667 -2.344 2.983 + 1323TIP3 OH246010 1.814 -2.393 3.131 + 1323TIP3 H146011 1.896 -2.427 3.090 + 1323TIP3 H246012 1.778 -2.473 3.171 + 1323TIP3 OH246013 2.655 -2.481 3.140 + 1323TIP3 H146014 2.657 -2.520 3.230 + 1323TIP3 H246015 2.749 -2.475 3.119 + 1323TIP3 OH246016 2.966 -0.846 3.012 + 1323TIP3 H146017 2.889 -0.869 2.957 + 1323TIP3 H246018 2.944 -0.755 3.039 + 1323TIP3 OH246019 4.206 -1.561 2.335 + 1323TIP3 H146020 4.280 -1.549 2.397 + 1323TIP3 H246021 4.254 -1.576 2.253 + 1323TIP3 OH246022 3.533 -1.571 2.495 + 1323TIP3 H146023 3.518 -1.647 2.553 + 1323TIP3 H246024 3.585 -1.514 2.555 + 1323TIP3 OH246025 3.580 -1.120 2.343 + 1323TIP3 H146026 3.561 -1.212 2.319 + 1323TIP3 H246027 3.669 -1.130 2.382 + 1324TIP3 OH246028 3.289 -1.771 1.894 + 1324TIP3 H146029 3.238 -1.689 1.901 + 1324TIP3 H246030 3.220 -1.832 1.862 + 1324TIP3 OH246031 3.358 -1.529 2.081 + 1324TIP3 H146032 3.370 -1.615 2.127 + 1324TIP3 H246033 3.440 -1.522 2.033 + 1324TIP3 OH246034 4.123 -1.286 2.399 + 1324TIP3 H146035 4.156 -1.364 2.351 + 1324TIP3 H246036 4.201 -1.260 2.450 + 1324TIP3 OH246037 3.748 -2.036 2.141 + 1324TIP3 H146038 3.717 -1.960 2.090 + 1324TIP3 H246039 3.720 -2.107 2.082 + 1324TIP3 OH246040 3.417 -1.777 2.200 + 1324TIP3 H146041 3.472 -1.832 2.258 + 1324TIP3 H246042 3.410 -1.832 2.120 + 1324TIP3 OH246043 3.626 -2.173 2.566 + 1324TIP3 H146044 3.581 -2.120 2.498 + 1324TIP3 H246045 3.561 -2.166 2.639 + 1324TIP3 OH246046 3.905 -1.394 2.569 + 1324TIP3 H146047 3.837 -1.333 2.605 + 1324TIP3 H246048 3.977 -1.333 2.547 + 1324TIP3 OH246049 3.584 -1.965 2.358 + 1324TIP3 H146050 3.648 -1.913 2.412 + 1324TIP3 H246051 3.646 -2.004 2.293 + 1324TIP3 OH246052 3.712 -1.199 2.645 + 1324TIP3 H146053 3.714 -1.103 2.626 + 1324TIP3 H246054 3.629 -1.205 2.696 + 1324TIP3 OH246055 3.335 -1.171 1.761 + 1324TIP3 H146056 3.327 -1.174 1.664 + 1324TIP3 H246057 3.396 -1.097 1.774 + 1325TIP3 OH246058 4.044 -2.425 2.282 + 1325TIP3 H146059 4.016 -2.519 2.282 + 1325TIP3 H246060 3.964 -2.382 2.318 + 1325TIP3 OH246061 4.264 -1.542 1.747 + 1325TIP3 H146062 4.200 -1.471 1.727 + 1325TIP3 H246063 4.334 -1.520 1.686 + 1325TIP3 OH246064 4.288 -1.697 1.465 + 1325TIP3 H146065 4.368 -1.697 1.520 + 1325TIP3 H246066 4.300 -1.775 1.409 + 1325TIP3 OH246067 3.897 -1.115 2.317 + 1325TIP3 H146068 3.897 -1.152 2.228 + 1325TIP3 H246069 3.975 -1.157 2.357 + 1325TIP3 OH246070 3.836 -1.558 2.340 + 1325TIP3 H146071 3.929 -1.565 2.315 + 1325TIP3 H246072 3.844 -1.514 2.427 + 1325TIP3 OH246073 3.904 -1.135 2.869 + 1325TIP3 H146074 3.856 -1.074 2.927 + 1325TIP3 H246075 3.835 -1.161 2.806 + 1325TIP3 OH246076 3.589 -1.493 2.777 + 1325TIP3 H146077 3.600 -1.442 2.859 + 1325TIP3 H246078 3.494 -1.515 2.781 + 1325TIP3 OH246079 4.244 -0.930 1.963 + 1325TIP3 H146080 4.298 -0.883 2.029 + 1325TIP3 H246081 4.200 -0.856 1.918 + 1325TIP3 OH246082 3.708 -0.917 2.955 + 1325TIP3 H146083 3.696 -0.922 2.859 + 1325TIP3 H246084 3.622 -0.948 2.990 + 1325TIP3 OH246085 3.679 -1.582 1.829 + 1325TIP3 H146086 3.656 -1.500 1.781 + 1325TIP3 H246087 3.606 -1.640 1.800 + 1326TIP3 OH246088 3.257 -1.311 2.665 + 1326TIP3 H146089 3.209 -1.317 2.580 + 1326TIP3 H246090 3.269 -1.405 2.688 + 1326TIP3 OH246091 3.266 -1.010 2.351 + 1326TIP3 H146092 3.354 -1.047 2.368 + 1326TIP3 H246093 3.252 -0.959 2.432 + 1326TIP3 OH246094 4.168 -1.030 2.814 + 1326TIP3 H146095 4.181 -0.948 2.864 + 1326TIP3 H246096 4.082 -1.063 2.846 + 1326TIP3 OH246097 4.179 -0.651 1.810 + 1326TIP3 H146098 4.207 -0.649 1.718 + 1326TIP3 H246099 4.208 -0.567 1.845 + 1326TIP3 OH246100 3.555 -0.765 1.969 + 1326TIP3 H146101 3.579 -0.801 2.057 + 1326TIP3 H246102 3.468 -0.804 1.954 + 1326TIP3 OH246103 3.477 -1.156 2.789 + 1326TIP3 H146104 3.502 -1.197 2.874 + 1326TIP3 H246105 3.402 -1.212 2.760 + 1326TIP3 OH246106 3.797 -2.302 2.360 + 1326TIP3 H146107 3.711 -2.316 2.317 + 1326TIP3 H246108 3.772 -2.238 2.429 + 1326TIP3 OH246109 4.233 -2.372 2.794 + 1326TIP3 H146110 4.245 -2.445 2.858 + 1326TIP3 H246111 4.142 -2.390 2.763 + 1326TIP3 OH246112 4.227 -2.091 1.465 + 1326TIP3 H146113 4.169 -2.114 1.539 + 1326TIP3 H246114 4.204 -2.159 1.401 + 1326TIP3 OH246115 3.774 -1.831 2.507 + 1326TIP3 H146116 3.724 -1.822 2.590 + 1326TIP3 H246117 3.781 -1.739 2.477 + 1327TIP3 OH246118 4.274 -1.774 1.939 + 1327TIP3 H146119 4.274 -1.679 1.917 + 1327TIP3 H246120 4.363 -1.788 1.976 + 1327TIP3 OH246121 4.247 -1.741 3.019 + 1327TIP3 H146122 4.195 -1.821 3.041 + 1327TIP3 H246123 4.337 -1.778 3.026 + 1327TIP3 OH246124 3.516 -1.811 2.689 + 1327TIP3 H146125 3.542 -1.784 2.778 + 1327TIP3 H246126 3.478 -1.899 2.708 + 1327TIP3 OH246127 3.858 -2.040 1.349 + 1327TIP3 H146128 3.824 -2.085 1.429 + 1327TIP3 H246129 3.783 -2.046 1.288 + 1327TIP3 OH246130 3.218 -2.049 2.051 + 1327TIP3 H146131 3.266 -2.074 2.133 + 1327TIP3 H246132 3.253 -2.109 1.984 + 1327TIP3 OH246133 3.362 -2.020 1.624 + 1327TIP3 H146134 3.411 -1.969 1.557 + 1327TIP3 H246135 3.289 -1.959 1.645 + 1327TIP3 OH246136 4.347 -1.691 2.629 + 1327TIP3 H146137 4.370 -1.760 2.563 + 1327TIP3 H246138 4.275 -1.736 2.675 + 1327TIP3 OH246139 4.048 -2.082 2.098 + 1327TIP3 H146140 3.955 -2.077 2.128 + 1327TIP3 H246141 4.094 -2.061 2.181 + 1327TIP3 OH246142 3.548 -1.911 1.956 + 1327TIP3 H146143 3.459 -1.889 1.924 + 1327TIP3 H246144 3.562 -2.000 1.918 + 1327TIP3 OH246145 3.872 -1.845 1.773 + 1327TIP3 H146146 3.951 -1.900 1.755 + 1327TIP3 H246147 3.828 -1.842 1.685 + 1328TIP3 OH246148 3.732 -1.793 1.526 + 1328TIP3 H146149 3.661 -1.813 1.464 + 1328TIP3 H246150 3.807 -1.773 1.467 + 1328TIP3 OH246151 3.583 -1.307 3.010 + 1328TIP3 H146152 3.651 -1.300 3.081 + 1328TIP3 H246153 3.503 -1.312 3.066 + 1328TIP3 OH246154 4.116 -1.833 2.230 + 1328TIP3 H146155 4.205 -1.847 2.194 + 1328TIP3 H246156 4.137 -1.832 2.325 + 1328TIP3 OH246157 3.684 -2.168 1.896 + 1328TIP3 H146158 3.620 -2.240 1.918 + 1328TIP3 H246159 3.762 -2.219 1.871 + 1328TIP3 OH246160 4.047 -1.974 2.511 + 1328TIP3 H146161 3.978 -1.907 2.500 + 1328TIP3 H246162 4.104 -1.934 2.580 + 1328TIP3 OH246163 4.069 -1.339 1.704 + 1328TIP3 H146164 3.993 -1.384 1.661 + 1328TIP3 H246165 4.042 -1.336 1.798 + 1328TIP3 OH246166 4.188 -1.339 2.818 + 1328TIP3 H146167 4.190 -1.353 2.913 + 1328TIP3 H246168 4.216 -1.247 2.808 + 1328TIP3 OH246169 3.596 -1.395 2.253 + 1328TIP3 H146170 3.685 -1.410 2.219 + 1328TIP3 H246171 3.588 -1.470 2.314 + 1328TIP3 OH246172 4.286 -1.197 1.598 + 1328TIP3 H146173 4.260 -1.107 1.625 + 1328TIP3 H246174 4.209 -1.248 1.630 + 1328TIP3 OH246175 3.305 -1.558 2.804 + 1328TIP3 H146176 3.319 -1.600 2.892 + 1328TIP3 H246177 3.242 -1.619 2.762 + 1329TIP3 OH246178 4.002 -1.607 3.005 + 1329TIP3 H146179 3.972 -1.638 2.919 + 1329TIP3 H246180 4.096 -1.632 3.002 + 1329TIP3 OH246181 3.813 -1.061 2.001 + 1329TIP3 H146182 3.865 -0.980 1.996 + 1329TIP3 H246183 3.726 -1.028 1.978 + 1329TIP3 OH246184 3.422 -1.583 1.458 + 1329TIP3 H146185 3.475 -1.510 1.493 + 1329TIP3 H246186 3.331 -1.557 1.485 + 1329TIP3 OH246187 3.962 -1.318 1.968 + 1329TIP3 H146188 3.977 -1.223 1.980 + 1329TIP3 H246189 3.879 -1.329 2.014 + 1329TIP3 OH246190 4.020 -0.859 2.604 + 1329TIP3 H146191 4.081 -0.788 2.573 + 1329TIP3 H246192 4.080 -0.912 2.658 + 1329TIP3 OH246193 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+ 1351TIP3 H246867 -2.587 0.512 1.788 + 1352TIP3 OH246868 -2.498 0.367 1.982 + 1352TIP3 H146869 -2.586 0.336 1.954 + 1352TIP3 H246870 -2.502 0.340 2.074 + 1352TIP3 OH246871 -2.561 0.617 2.426 + 1352TIP3 H146872 -2.501 0.573 2.363 + 1352TIP3 H246873 -2.556 0.709 2.395 + 1352TIP3 OH246874 -2.696 0.913 2.647 + 1352TIP3 H146875 -2.768 0.955 2.698 + 1352TIP3 H246876 -2.743 0.879 2.569 + 1352TIP3 OH246877 -2.536 0.318 1.602 + 1352TIP3 H146878 -2.555 0.332 1.508 + 1352TIP3 H246879 -2.491 0.400 1.624 + 1352TIP3 OH246880 -2.698 0.084 1.398 + 1352TIP3 H146881 -2.645 0.126 1.328 + 1352TIP3 H246882 -2.704 -0.007 1.366 + 1352TIP3 OH246883 -2.735 0.191 2.006 + 1352TIP3 H146884 -2.746 0.098 1.980 + 1352TIP3 H246885 -2.781 0.195 2.091 + 1352TIP3 OH246886 -4.254 0.439 2.406 + 1352TIP3 H146887 -4.224 0.455 2.316 + 1352TIP3 H246888 -4.175 0.395 2.444 + 1352TIP3 OH246889 -2.686 0.378 2.917 + 1352TIP3 H146890 -2.614 0.316 2.939 + 1352TIP3 H246891 -2.640 0.462 2.905 + 1352TIP3 OH246892 -2.530 0.189 3.040 + 1352TIP3 H146893 -2.609 0.136 3.020 + 1352TIP3 H246894 -2.460 0.121 3.040 + 1352TIP3 OH246895 -2.739 -0.203 1.360 + 1352TIP3 H146896 -2.669 -0.259 1.395 + 1352TIP3 H246897 -2.806 -0.269 1.341 + 1353TIP3 OH246898 -2.775 -0.056 1.820 + 1353TIP3 H146899 -2.744 -0.149 1.829 + 1353TIP3 H246900 -2.697 -0.017 1.777 + 1353TIP3 OH246901 -2.737 0.000 2.367 + 1353TIP3 H146902 -2.640 0.001 2.364 + 1353TIP3 H246903 -2.751 -0.002 2.463 + 1353TIP3 OH246904 -2.719 0.067 2.649 + 1353TIP3 H146905 -2.805 0.103 2.677 + 1353TIP3 H246906 -2.669 0.147 2.628 + 1353TIP3 OH246907 -4.285 -0.070 3.010 + 1353TIP3 H146908 -4.196 -0.108 3.015 + 1353TIP3 H246909 -4.343 -0.145 3.032 + 1353TIP3 OH246910 -2.464 -0.518 3.179 + 1353TIP3 H146911 -2.422 -0.588 3.125 + 1353TIP3 H246912 -2.461 -0.441 3.120 + 1353TIP3 OH246913 -2.713 -0.333 1.827 + 1353TIP3 H146914 -2.701 -0.373 1.914 + 1353TIP3 H246915 -2.785 -0.386 1.789 + 1353TIP3 OH246916 -4.194 -0.213 2.322 + 1353TIP3 H146917 -4.161 -0.304 2.327 + 1353TIP3 H246918 -4.115 -0.161 2.344 + 1353TIP3 OH246919 -4.332 0.047 2.412 + 1353TIP3 H146920 -4.294 -0.010 2.344 + 1353TIP3 H246921 -4.304 0.134 2.382 + 1353TIP3 OH246922 -2.526 -0.313 3.002 + 1353TIP3 H146923 -2.614 -0.273 3.009 + 1353TIP3 H246924 -2.539 -0.369 2.924 + 1353TIP3 OH246925 -4.315 -0.341 1.763 + 1353TIP3 H146926 -4.399 -0.311 1.726 + 1353TIP3 H246927 -4.255 -0.269 1.731 + 1354TIP3 OH246928 -2.828 1.205 2.018 + 1354TIP3 H146929 -2.782 1.180 1.936 + 1354TIP3 H246930 -2.755 1.241 2.070 + 1354TIP3 OH246931 -4.294 -0.442 2.598 + 1354TIP3 H146932 -4.360 -0.453 2.671 + 1354TIP3 H246933 -4.343 -0.397 2.527 + 1354TIP3 OH246934 -4.121 0.910 3.068 + 1354TIP3 H146935 -4.168 0.844 3.016 + 1354TIP3 H246936 -4.133 0.875 3.159 + 1354TIP3 OH246937 -3.802 0.974 2.659 + 1354TIP3 H146938 -3.831 1.059 2.622 + 1354TIP3 H246939 -3.706 0.981 2.641 + 1354TIP3 OH246940 -3.353 1.106 2.959 + 1354TIP3 H146941 -3.338 1.086 3.053 + 1354TIP3 H246942 -3.268 1.148 2.934 + 1354TIP3 OH246943 -3.123 1.249 2.882 + 1354TIP3 H146944 -3.053 1.185 2.861 + 1354TIP3 H246945 -3.092 1.281 2.969 + 1354TIP3 OH246946 -2.644 -0.491 2.801 + 1354TIP3 H146947 -2.722 -0.468 2.747 + 1354TIP3 H246948 -2.622 -0.581 2.767 + 1354TIP3 OH246949 -4.066 1.288 2.680 + 1354TIP3 H146950 -4.139 1.332 2.633 + 1354TIP3 H246951 -4.102 1.280 2.768 + 1354TIP3 OH246952 -3.812 1.247 2.554 + 1354TIP3 H146953 -3.901 1.266 2.591 + 1354TIP3 H246954 -3.806 1.309 2.479 + 1354TIP3 OH246955 -3.349 1.246 2.506 + 1354TIP3 H146956 -3.381 1.290 2.425 + 1354TIP3 H246957 -3.331 1.322 2.565 + 1355TIP3 OH246958 -3.109 1.118 2.593 + 1355TIP3 H146959 -3.194 1.154 2.562 + 1355TIP3 H246960 -3.052 1.196 2.592 + 1355TIP3 OH246961 -2.856 1.290 2.612 + 1355TIP3 H146962 -2.859 1.386 2.591 + 1355TIP3 H246963 -2.826 1.254 2.526 + 1355TIP3 OH246964 -4.124 1.153 2.379 + 1355TIP3 H146965 -4.134 1.107 2.465 + 1355TIP3 H246966 -4.047 1.106 2.341 + 1355TIP3 OH246967 -3.911 1.028 2.233 + 1355TIP3 H146968 -3.926 0.935 2.259 + 1355TIP3 H246969 -3.819 1.043 2.263 + 1355TIP3 OH246970 -3.632 1.070 2.318 + 1355TIP3 H146971 -3.613 0.977 2.294 + 1355TIP3 H246972 -3.623 1.066 2.414 + 1355TIP3 OH246973 -3.297 -0.340 2.240 + 1355TIP3 H146974 -3.363 -0.409 2.264 + 1355TIP3 H246975 -3.235 -0.391 2.185 + 1355TIP3 OH246976 -2.806 -0.589 2.275 + 1355TIP3 H146977 -2.724 -0.542 2.250 + 1355TIP3 H246978 -2.875 -0.531 2.239 + 1355TIP3 OH246979 -2.595 -0.429 2.087 + 1355TIP3 H146980 -2.527 -0.475 2.033 + 1355TIP3 H246981 -2.560 -0.338 2.089 + 1355TIP3 OH246982 -4.106 -0.483 1.999 + 1355TIP3 H146983 -4.180 -0.513 1.944 + 1355TIP3 H246984 -4.045 -0.559 1.992 + 1355TIP3 OH246985 -4.182 -0.523 1.583 + 1355TIP3 H146986 -4.130 -0.457 1.533 + 1355TIP3 H246987 -4.233 -0.465 1.643 + 1356TIP3 OH246988 -3.613 -0.481 1.988 + 1356TIP3 H146989 -3.519 -0.463 1.979 + 1356TIP3 H246990 -3.620 -0.493 2.083 + 1356TIP3 OH246991 -3.049 -0.491 2.135 + 1356TIP3 H146992 -3.042 -0.491 2.039 + 1356TIP3 H246993 -3.092 -0.576 2.154 + 1356TIP3 OH246994 -2.954 -0.479 1.742 + 1356TIP3 H146995 -3.033 -0.446 1.698 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-0.598 3.146 + 1357TIP3 H147022 -3.028 -0.638 3.235 + 1357TIP3 H247023 -2.937 -0.600 3.121 + 1357TIP3 OH247024 -2.691 1.038 3.013 + 1357TIP3 H147025 -2.767 1.018 2.956 + 1357TIP3 H247026 -2.711 1.131 3.037 + 1357TIP3 OH247027 -1.392 0.352 2.317 + 1357TIP3 H147028 -1.394 0.321 2.409 + 1357TIP3 H247029 -1.430 0.273 2.274 + 1357TIP3 OH247030 -2.142 0.311 2.499 + 1357TIP3 H147031 -2.151 0.235 2.559 + 1357TIP3 H247032 -2.073 0.362 2.544 + 1357TIP3 OH247033 -0.994 0.631 2.183 + 1357TIP3 H147034 -1.013 0.555 2.239 + 1357TIP3 H247035 -0.948 0.690 2.243 + 1357TIP3 OH247036 -2.066 0.764 2.360 + 1357TIP3 H147037 -2.100 0.678 2.331 + 1357TIP3 H247038 -1.973 0.745 2.378 + 1357TIP3 OH247039 -2.377 0.129 1.910 + 1357TIP3 H147040 -2.434 0.202 1.881 + 1357TIP3 H247041 -2.422 0.054 1.866 + 1357TIP3 OH247042 -1.314 1.155 2.221 + 1357TIP3 H147043 -1.268 1.079 2.182 + 1357TIP3 H247044 -1.335 1.125 2.310 + 1357TIP3 OH247045 -0.664 -0.265 2.467 + 1357TIP3 H147046 -0.671 -0.200 2.540 + 1357TIP3 H247047 -0.711 -0.225 2.393 + 1358TIP3 OH247048 -1.207 0.028 2.432 + 1358TIP3 H147049 -1.223 -0.066 2.451 + 1358TIP3 H247050 -1.233 0.035 2.339 + 1358TIP3 OH247051 -1.923 -0.164 2.152 + 1358TIP3 H147052 -1.891 -0.088 2.102 + 1358TIP3 H247053 -1.943 -0.226 2.079 + 1358TIP3 OH247054 -2.236 0.157 2.176 + 1358TIP3 H147055 -2.191 0.106 2.246 + 1358TIP3 H247056 -2.252 0.086 2.110 + 1358TIP3 OH247057 -1.713 0.249 2.161 + 1358TIP3 H147058 -1.644 0.187 2.192 + 1358TIP3 H247059 -1.763 0.190 2.101 + 1358TIP3 OH247060 -0.607 -0.100 2.691 + 1358TIP3 H147061 -0.676 -0.031 2.684 + 1358TIP3 H247062 -0.607 -0.115 2.787 + 1358TIP3 OH247063 -2.031 -0.279 2.565 + 1358TIP3 H147064 -2.076 -0.237 2.490 + 1358TIP3 H247065 -2.098 -0.270 2.635 + 1358TIP3 OH247066 -2.078 -0.071 2.356 + 1358TIP3 H147067 -2.006 -0.023 2.401 + 1358TIP3 H247068 -2.026 -0.113 2.283 + 1358TIP3 OH247069 -1.896 0.662 2.637 + 1358TIP3 H147070 -1.926 0.750 2.608 + 1358TIP3 H247071 -1.979 0.628 2.674 + 1358TIP3 OH247072 -2.319 0.650 1.750 + 1358TIP3 H147073 -2.290 0.666 1.659 + 1358TIP3 H247074 -2.280 0.723 1.800 + 1358TIP3 OH247075 -0.968 0.811 2.436 + 1358TIP3 H147076 -1.061 0.827 2.421 + 1358TIP3 H247077 -0.928 0.891 2.396 + 1359TIP3 OH247078 -0.958 -0.299 2.569 + 1359TIP3 H147079 -1.029 -0.245 2.533 + 1359TIP3 H247080 -0.895 -0.305 2.496 + 1359TIP3 OH247081 -1.604 -0.529 2.278 + 1359TIP3 H147082 -1.628 -0.623 2.267 + 1359TIP3 H247083 -1.687 -0.489 2.309 + 1359TIP3 OH247084 -1.126 0.971 2.044 + 1359TIP3 H147085 -1.061 0.902 2.024 + 1359TIP3 H247086 -1.069 1.049 2.053 + 1359TIP3 OH247087 -0.846 0.665 2.784 + 1359TIP3 H147088 -0.844 0.600 2.711 + 1359TIP3 H247089 -0.823 0.748 2.739 + 1359TIP3 OH247090 -0.657 0.264 2.553 + 1359TIP3 H147091 -0.714 0.340 2.575 + 1359TIP3 H247092 -0.600 0.301 2.483 + 1359TIP3 OH247093 -1.077 0.210 2.744 + 1359TIP3 H147094 -1.073 0.286 2.803 + 1359TIP3 H247095 -1.144 0.242 2.681 + 1359TIP3 OH247096 -1.918 0.428 2.045 + 1359TIP3 H147097 -1.917 0.412 1.950 + 1359TIP3 H247098 -1.839 0.379 2.075 + 1359TIP3 OH247099 -1.746 0.746 2.324 + 1359TIP3 H147100 -1.775 0.739 2.231 + 1359TIP3 H247101 -1.653 0.722 2.317 + 1359TIP3 OH247102 -1.843 0.351 2.397 + 1359TIP3 H147103 -1.787 0.326 2.321 + 1359TIP3 H247104 -1.781 0.386 2.461 + 1359TIP3 OH247105 -1.284 0.862 2.463 + 1359TIP3 H147106 -1.251 0.939 2.512 + 1359TIP3 H247107 -1.249 0.787 2.512 + 1360TIP3 OH247108 -1.753 0.752 2.865 + 1360TIP3 H147109 -1.799 0.812 2.927 + 1360TIP3 H247110 -1.828 0.723 2.810 + 1360TIP3 OH247111 -2.062 0.395 2.779 + 1360TIP3 H147112 -2.059 0.444 2.864 + 1360TIP3 H247113 -2.157 0.372 2.776 + 1360TIP3 OH247114 -1.947 0.963 2.950 + 1360TIP3 H147115 -1.963 0.960 2.855 + 1360TIP3 H247116 -2.034 0.939 2.987 + 1360TIP3 OH247117 -2.397 0.575 2.664 + 1360TIP3 H147118 -2.451 0.576 2.583 + 1360TIP3 H247119 -2.389 0.479 2.683 + 1360TIP3 OH247120 -2.395 0.866 2.361 + 1360TIP3 H147121 -2.301 0.843 2.371 + 1360TIP3 H247122 -2.406 0.930 2.432 + 1360TIP3 OH247123 -0.556 0.933 2.938 + 1360TIP3 H147124 -0.563 0.839 2.917 + 1360TIP3 H247125 -0.648 0.954 2.966 + 1360TIP3 OH247126 -1.500 0.846 2.808 + 1360TIP3 H147127 -1.473 0.922 2.865 + 1360TIP3 H247128 -1.579 0.816 2.860 + 1360TIP3 OH247129 -2.071 1.154 1.968 + 1360TIP3 H147130 -2.049 1.100 2.046 + 1360TIP3 H247131 -2.142 1.104 1.927 + 1360TIP3 OH247132 -1.162 1.150 1.798 + 1360TIP3 H147133 -1.258 1.155 1.800 + 1360TIP3 H247134 -1.144 1.072 1.853 + 1360TIP3 OH247135 -0.877 0.064 2.977 + 1360TIP3 H147136 -0.931 0.101 2.905 + 1360TIP3 H247137 -0.873 -0.030 2.951 + 1361TIP3 OH247138 -2.159 0.727 2.777 + 1361TIP3 H147139 -2.139 0.689 2.865 + 1361TIP3 H247140 -2.241 0.680 2.754 + 1361TIP3 OH247141 -1.859 -0.423 2.371 + 1361TIP3 H147142 -1.932 -0.433 2.309 + 1361TIP3 H247143 -1.892 -0.350 2.425 + 1361TIP3 OH247144 -1.425 -0.455 2.738 + 1361TIP3 H147145 -1.371 -0.511 2.797 + 1361TIP3 H247146 -1.514 -0.495 2.745 + 1361TIP3 OH247147 -1.109 -0.083 2.784 + 1361TIP3 H147148 -1.171 -0.105 2.856 + 1361TIP3 H247149 -1.120 0.013 2.774 + 1361TIP3 OH247150 -1.875 0.063 2.508 + 1361TIP3 H147151 -1.937 0.061 2.583 + 1361TIP3 H247152 -1.883 0.154 2.476 + 1361TIP3 OH247153 -1.891 0.089 1.986 + 1361TIP3 H147154 -1.978 0.047 1.971 + 1361TIP3 H247155 -1.846 0.066 1.901 + 1361TIP3 OH247156 -1.404 0.140 3.007 + 1361TIP3 H147157 -1.453 0.064 3.046 + 1361TIP3 H247158 -1.316 0.128 3.048 + 1361TIP3 OH247159 -1.238 0.099 2.098 + 1361TIP3 H147160 -1.265 0.127 2.010 + 1361TIP3 H247161 -1.249 0.002 2.091 + 1361TIP3 OH247162 -2.140 0.076 2.691 + 1361TIP3 H147163 -2.115 0.100 2.781 + 1361TIP3 H247164 -2.177 -0.013 2.706 + 1361TIP3 OH247165 -2.456 -0.174 2.058 + 1361TIP3 H147166 -2.389 -0.196 2.125 + 1361TIP3 H247167 -2.420 -0.212 1.975 + 1362TIP3 OH247168 -2.276 -0.120 1.592 + 1362TIP3 H147169 -2.252 -0.061 1.520 + 1362TIP3 H247170 -2.364 -0.092 1.617 + 1362TIP3 OH247171 -1.336 0.226 2.595 + 1362TIP3 H147172 -1.290 0.157 2.542 + 1362TIP3 H247173 -1.370 0.171 2.668 + 1362TIP3 OH247174 -1.593 -0.146 2.124 + 1362TIP3 H147175 -1.665 -0.189 2.076 + 1362TIP3 H247176 -1.556 -0.220 2.173 + 1362TIP3 OH247177 -2.142 -0.058 1.964 + 1362TIP3 H147178 -2.226 -0.048 1.916 + 1362TIP3 H247179 -2.106 -0.139 1.922 + 1362TIP3 OH247180 -1.776 0.034 1.739 + 1362TIP3 H147181 -1.721 -0.046 1.723 + 1362TIP3 H247182 -1.792 0.065 1.649 + 1362TIP3 OH247183 -0.873 1.313 3.066 + 1362TIP3 H147184 -0.849 1.359 2.984 + 1362TIP3 H247185 -0.803 1.344 3.126 + 1362TIP3 OH247186 -2.072 0.576 3.010 + 1362TIP3 H147187 -2.008 0.584 3.084 + 1362TIP3 H247188 -2.155 0.575 3.062 + 1362TIP3 OH247189 -1.488 0.086 2.290 + 1362TIP3 H147190 -1.469 0.024 2.217 + 1362TIP3 H247191 -1.519 0.022 2.358 + 1362TIP3 OH247192 -1.965 -0.278 1.889 + 1362TIP3 H147193 -2.013 -0.361 1.878 + 1362TIP3 H247194 -1.884 -0.296 1.838 + 1362TIP3 OH247195 -1.600 -0.071 2.501 + 1362TIP3 H147196 -1.685 -0.025 2.509 + 1362TIP3 H247197 -1.556 -0.052 2.585 + 1363TIP3 OH247198 -0.870 0.474 2.568 + 1363TIP3 H147199 -0.815 0.525 2.505 + 1363TIP3 H247200 -0.954 0.465 2.518 + 1363TIP3 OH247201 -2.106 0.464 2.239 + 1363TIP3 H147202 -2.023 0.474 2.188 + 1363TIP3 H247203 -2.075 0.412 2.315 + 1363TIP3 OH247204 -2.351 0.327 2.804 + 1363TIP3 H147205 -2.337 0.285 2.891 + 1363TIP3 H247206 -2.414 0.267 2.761 + 1363TIP3 OH247207 -1.654 0.285 2.997 + 1363TIP3 H147208 -1.694 0.245 2.918 + 1363TIP3 H247209 -1.564 0.249 2.995 + 1363TIP3 OH247210 -1.208 0.806 2.777 + 1363TIP3 H147211 -1.299 0.838 2.777 + 1363TIP3 H247212 -1.175 0.843 2.862 + 1363TIP3 OH247213 -0.606 0.627 2.934 + 1363TIP3 H147214 -0.698 0.653 2.914 + 1363TIP3 H247215 -0.569 0.614 2.844 + 1363TIP3 OH247216 -1.107 0.417 2.384 + 1363TIP3 H147217 -1.196 0.379 2.377 + 1363TIP3 H247218 -1.055 0.345 2.341 + 1363TIP3 OH247219 -1.837 0.839 2.035 + 1363TIP3 H147220 -1.780 0.882 1.970 + 1363TIP3 H247221 -1.920 0.836 1.985 + 1363TIP3 OH247222 -2.239 0.347 1.526 + 1363TIP3 H147223 -2.161 0.386 1.484 + 1363TIP3 H247224 -2.295 0.333 1.449 + 1363TIP3 OH247225 -1.626 1.002 2.600 + 1363TIP3 H147226 -1.591 1.087 2.567 + 1363TIP3 H247227 -1.578 0.996 2.684 + 1364TIP3 OH247228 -1.336 0.588 2.583 + 1364TIP3 H147229 -1.294 0.580 2.670 + 1364TIP3 H247230 -1.269 0.542 2.530 + 1364TIP3 OH247231 -1.008 1.057 2.797 + 1364TIP3 H147232 -1.083 1.019 2.748 + 1364TIP3 H247233 -0.990 1.138 2.746 + 1364TIP3 OH247234 -2.220 -0.205 2.765 + 1364TIP3 H147235 -2.312 -0.182 2.740 + 1364TIP3 H247236 -2.233 -0.292 2.806 + 1364TIP3 OH247237 -2.241 0.966 2.607 + 1364TIP3 H147238 -2.211 0.877 2.630 + 1364TIP3 H247239 -2.228 1.012 2.691 + 1364TIP3 OH247240 -1.313 -0.211 2.601 + 1364TIP3 H147241 -1.248 -0.199 2.671 + 1364TIP3 H247242 -1.363 -0.289 2.632 + 1364TIP3 OH247243 -1.467 0.023 2.755 + 1364TIP3 H147244 -1.465 0.062 2.845 + 1364TIP3 H247245 -1.429 -0.064 2.773 + 1364TIP3 OH247246 -0.854 -0.185 2.843 + 1364TIP3 H147247 -0.950 -0.177 2.830 + 1364TIP3 H247248 -0.829 -0.215 2.754 + 1364TIP3 OH247249 -1.006 0.202 2.239 + 1364TIP3 H147250 -1.071 0.159 2.181 + 1364TIP3 H247251 -0.948 0.126 2.260 + 1364TIP3 OH247252 -0.903 1.085 2.390 + 1364TIP3 H147253 -0.919 1.166 2.337 + 1364TIP3 H247254 -0.809 1.099 2.411 + 1364TIP3 OH247255 -2.146 -0.466 2.287 + 1364TIP3 H147256 -2.159 -0.470 2.189 + 1364TIP3 H247257 -2.178 -0.553 2.315 + 1365TIP3 OH247258 -2.247 0.879 1.918 + 1365TIP3 H147259 -2.328 0.929 1.933 + 1365TIP3 H247260 -2.210 0.926 1.842 + 1365TIP3 OH247261 -2.308 1.171 3.025 + 1365TIP3 H147262 -2.254 1.147 3.103 + 1365TIP3 H247263 -2.351 1.086 3.003 + 1365TIP3 OH247264 -1.842 1.081 3.205 + 1365TIP3 H147265 -1.775 1.016 3.230 + 1365TIP3 H247266 -1.864 1.052 3.115 + 1365TIP3 OH247267 -1.191 0.902 3.060 + 1365TIP3 H147268 -1.231 0.825 3.105 + 1365TIP3 H247269 -1.125 0.930 3.126 + 1365TIP3 OH247270 -2.314 0.536 3.139 + 1365TIP3 H147271 -2.307 0.445 3.109 + 1365TIP3 H247272 -2.392 0.567 3.089 + 1365TIP3 OH247273 -1.650 0.559 3.074 + 1365TIP3 H147274 -1.683 0.586 2.987 + 1365TIP3 H247275 -1.634 0.463 3.061 + 1365TIP3 OH247276 -1.129 0.528 2.803 + 1365TIP3 H147277 -1.037 0.557 2.790 + 1365TIP3 H247278 -1.170 0.614 2.825 + 1365TIP3 OH247279 -2.228 0.252 3.057 + 1365TIP3 H147280 -2.158 0.184 3.058 + 1365TIP3 H247281 -2.235 0.272 3.151 + 1365TIP3 OH247282 -1.860 0.161 2.802 + 1365TIP3 H147283 -1.917 0.236 2.828 + 1365TIP3 H247284 -1.805 0.201 2.733 + 1365TIP3 OH247285 -1.332 0.432 3.156 + 1365TIP3 H147286 -1.240 0.412 3.133 + 1365TIP3 H247287 -1.358 0.350 3.201 + 1366TIP3 OH247288 -1.803 -0.108 2.915 + 1366TIP3 H147289 -1.799 -0.176 2.845 + 1366TIP3 H247290 -1.829 -0.029 2.864 + 1366TIP3 OH247291 -1.774 -0.255 2.663 + 1366TIP3 H147292 -1.721 -0.217 2.591 + 1366TIP3 H247293 -1.863 -0.262 2.624 + 1366TIP3 OH247294 -1.632 0.308 2.671 + 1366TIP3 H147295 -1.542 0.279 2.646 + 1366TIP3 H247296 -1.636 0.398 2.641 + 1366TIP3 OH247297 -1.158 0.077 3.176 + 1366TIP3 H147298 -1.140 -0.016 3.194 + 1366TIP3 H247299 -1.069 0.114 3.175 + 1366TIP3 OH247300 -1.061 0.356 3.023 + 1366TIP3 H147301 -1.095 0.419 2.957 + 1366TIP3 H247302 -0.970 0.341 2.990 + 1366TIP3 OH247303 -1.983 0.078 3.089 + 1366TIP3 H147304 -2.038 -0.002 3.097 + 1366TIP3 H247305 -1.901 0.041 3.052 + 1366TIP3 OH247306 -1.699 -0.527 2.697 + 1366TIP3 H147307 -1.717 -0.433 2.680 + 1366TIP3 H247308 -1.766 -0.571 2.640 + 1366TIP3 OH247309 -1.575 -0.067 3.073 + 1366TIP3 H147310 -1.606 -0.093 3.162 + 1366TIP3 H247311 -1.655 -0.092 3.021 + 1366TIP3 OH247312 -1.319 -0.164 2.961 + 1366TIP3 H147313 -1.408 -0.166 3.001 + 1366TIP3 H247314 -1.272 -0.230 3.016 + 1366TIP3 OH247315 -1.133 -0.317 3.133 + 1366TIP3 H147316 -1.149 -0.412 3.146 + 1366TIP3 H247317 -1.154 -0.277 3.219 + 1367TIP3 OH247318 -2.117 -0.177 3.078 + 1367TIP3 H147319 -2.126 -0.249 3.013 + 1367TIP3 H247320 -2.139 -0.225 3.161 + 1367TIP3 OH247321 -1.714 -0.578 2.977 + 1367TIP3 H147322 -1.656 -0.656 2.982 + 1367TIP3 H247323 -1.717 -0.565 2.881 + 1367TIP3 OH247324 -1.619 -0.390 3.161 + 1367TIP3 H147325 -1.647 -0.451 3.090 + 1367TIP3 H247326 -1.693 -0.327 3.165 + 1367TIP3 OH247327 -1.674 1.264 1.510 + 1367TIP3 H147328 -1.587 1.302 1.525 + 1367TIP3 H247329 -1.711 1.329 1.448 + 1367TIP3 OH247330 -2.291 0.741 1.451 + 1367TIP3 H147331 -2.193 0.741 1.449 + 1367TIP3 H247332 -2.303 0.664 1.392 + 1367TIP3 OH247333 -2.427 1.273 1.941 + 1367TIP3 H147334 -2.496 1.232 1.884 + 1367TIP3 H247335 -2.412 1.202 2.006 + 1367TIP3 OH247336 -2.386 1.074 2.138 + 1367TIP3 H147337 -2.413 0.986 2.168 + 1367TIP3 H247338 -2.348 1.109 2.220 + 1367TIP3 OH247339 -0.632 1.203 2.440 + 1367TIP3 H147340 -0.606 1.192 2.533 + 1367TIP3 H247341 -0.547 1.223 2.397 + 1367TIP3 OH247342 -0.642 1.160 2.735 + 1367TIP3 H147343 -0.691 1.085 2.696 + 1367TIP3 H247344 -0.583 1.111 2.794 + 1367TIP3 OH247345 -0.841 0.689 3.152 + 1367TIP3 H147346 -0.928 0.694 3.196 + 1367TIP3 H247347 -0.795 0.766 3.186 + 1368TIP3 OH247348 -0.680 0.618 2.421 + 1368TIP3 H147349 -0.621 0.570 2.361 + 1368TIP3 H247350 -0.661 0.710 2.397 + 1368TIP3 OH247351 -0.804 0.919 2.655 + 1368TIP3 H147352 -0.877 0.958 2.707 + 1368TIP3 H247353 -0.850 0.882 2.578 + 1368TIP3 OH247354 -2.376 0.395 2.358 + 1368TIP3 H147355 -2.330 0.381 2.275 + 1368TIP3 H247356 -2.300 0.384 2.418 + 1368TIP3 OH247357 -0.800 0.379 2.917 + 1368TIP3 H147358 -0.729 0.315 2.939 + 1368TIP3 H247359 -0.750 0.461 2.905 + 1368TIP3 OH247360 -0.647 0.189 3.044 + 1368TIP3 H147361 -0.724 0.132 3.021 + 1368TIP3 H247362 -0.574 0.125 3.040 + 1368TIP3 OH247363 -0.841 -0.013 2.374 + 1368TIP3 H147364 -0.765 0.045 2.367 + 1368TIP3 H247365 -0.870 0.004 2.466 + 1368TIP3 OH247366 -0.836 0.067 2.646 + 1368TIP3 H147367 -0.922 0.102 2.678 + 1368TIP3 H247368 -0.786 0.149 2.629 + 1368TIP3 OH247369 -2.384 -0.057 3.016 + 1368TIP3 H147370 -2.291 -0.085 3.022 + 1368TIP3 H247371 -2.430 -0.143 3.023 + 1368TIP3 OH247372 -0.587 -0.533 3.186 + 1368TIP3 H147373 -0.539 -0.599 3.132 + 1368TIP3 H247374 -0.579 -0.453 3.131 + 1368TIP3 OH247375 -2.310 -0.226 2.303 + 1368TIP3 H147376 -2.264 -0.312 2.301 + 1368TIP3 H247377 -2.238 -0.166 2.329 + 1369TIP3 OH247378 -2.451 0.044 2.404 + 1369TIP3 H147379 -2.400 0.029 2.324 + 1369TIP3 H247380 -2.412 0.124 2.441 + 1369TIP3 OH247381 -0.641 -0.320 3.011 + 1369TIP3 H147382 -0.729 -0.278 3.012 + 1369TIP3 H247383 -0.649 -0.373 2.930 + 1369TIP3 OH247384 -2.403 -0.290 1.810 + 1369TIP3 H147385 -2.488 -0.327 1.780 + 1369TIP3 H247386 -2.348 -0.310 1.732 + 1369TIP3 OH247387 -0.934 1.187 2.018 + 1369TIP3 H147388 -0.892 1.171 1.931 + 1369TIP3 H247389 -0.867 1.241 2.061 + 1369TIP3 OH247390 -2.400 -0.431 2.626 + 1369TIP3 H147391 -2.471 -0.466 2.681 + 1369TIP3 H247392 -2.450 -0.384 2.557 + 1369TIP3 OH247393 -2.200 0.869 3.081 + 1369TIP3 H147394 -2.280 0.877 3.025 + 1369TIP3 H247395 -2.237 0.868 3.170 + 1369TIP3 OH247396 -1.915 0.956 2.650 + 1369TIP3 H147397 -1.958 1.039 2.622 + 1369TIP3 H247398 -1.821 0.980 2.637 + 1369TIP3 OH247399 -1.461 1.091 2.951 + 1369TIP3 H147400 -1.455 1.083 3.048 + 1369TIP3 H247401 -1.383 1.147 2.932 + 1369TIP3 OH247402 -1.238 1.247 2.882 + 1369TIP3 H147403 -1.166 1.185 2.863 + 1369TIP3 H247404 -1.210 1.282 2.968 + 1369TIP3 OH247405 -0.758 -0.493 2.803 + 1369TIP3 H147406 -0.838 -0.480 2.750 + 1369TIP3 H247407 -0.730 -0.581 2.771 + 1370TIP3 OH247408 -2.180 1.266 2.691 + 1370TIP3 H147409 -2.238 1.330 2.646 + 1370TIP3 H247410 -2.211 1.275 2.782 + 1370TIP3 OH247411 -1.926 1.240 2.546 + 1370TIP3 H147412 -2.012 1.259 2.589 + 1370TIP3 H247413 -1.923 1.310 2.478 + 1370TIP3 OH247414 -1.455 1.244 2.501 + 1370TIP3 H147415 -1.493 1.288 2.422 + 1370TIP3 H247416 -1.447 1.320 2.562 + 1370TIP3 OH247417 -1.221 1.113 2.586 + 1370TIP3 H147418 -1.306 1.154 2.559 + 1370TIP3 H247419 -1.163 1.191 2.590 + 1370TIP3 OH247420 -0.967 1.291 2.617 + 1370TIP3 H147421 -0.972 1.386 2.595 + 1370TIP3 H247422 -0.936 1.256 2.532 + 1370TIP3 OH247423 -2.223 1.149 2.386 + 1370TIP3 H147424 -2.224 1.099 2.471 + 1370TIP3 H247425 -2.148 1.105 2.340 + 1370TIP3 OH247426 -2.023 1.022 2.239 + 1370TIP3 H147427 -2.034 0.927 2.259 + 1370TIP3 H247428 -1.930 1.038 2.261 + 1370TIP3 OH247429 -1.741 1.070 2.315 + 1370TIP3 H147430 -1.725 0.977 2.295 + 1370TIP3 H247431 -1.747 1.070 2.412 + 1370TIP3 OH247432 -0.877 -0.482 2.243 + 1370TIP3 H147433 -0.823 -0.489 2.163 + 1370TIP3 H247434 -0.964 -0.516 2.215 + 1370TIP3 OH247435 -2.188 -0.476 2.013 + 1370TIP3 H147436 -2.260 -0.479 1.946 + 1370TIP3 H247437 -2.132 -0.548 1.981 + 1371TIP3 OH247438 -1.734 -0.475 1.997 + 1371TIP3 H147439 -1.650 -0.451 1.956 + 1371TIP3 H247440 -1.707 -0.511 2.083 + 1371TIP3 OH247441 -1.153 -0.555 2.196 + 1371TIP3 H147442 -1.183 -0.501 2.123 + 1371TIP3 H247443 -1.222 -0.624 2.199 + 1371TIP3 OH247444 -2.277 1.078 1.715 + 1371TIP3 H147445 -2.333 1.057 1.638 + 1371TIP3 H247446 -2.281 1.175 1.713 + 1371TIP3 OH247447 -0.767 1.120 1.763 + 1371TIP3 H147448 -0.779 1.052 1.697 + 1371TIP3 H247449 -0.757 1.199 1.706 + 1371TIP3 OH247450 -2.196 -0.445 2.958 + 1371TIP3 H147451 -2.237 -0.527 2.992 + 1371TIP3 H247452 -2.103 -0.460 2.982 + 1371TIP3 OH247453 -1.957 -0.507 3.131 + 1371TIP3 H147454 -1.875 -0.543 3.090 + 1371TIP3 H247455 -1.992 -0.587 3.173 + 1371TIP3 OH247456 -2.148 1.175 1.391 + 1371TIP3 H147457 -2.157 1.197 1.485 + 1371TIP3 H247458 -2.068 1.119 1.390 + 1371TIP3 OH247459 -1.146 -0.596 3.147 + 1371TIP3 H147460 -1.141 -0.637 3.235 + 1371TIP3 H247461 -1.053 -0.600 3.118 + 1371TIP3 OH247462 -0.808 1.036 3.015 + 1371TIP3 H147463 -0.885 1.018 2.958 + 1371TIP3 H247464 -0.825 1.129 3.039 + 1371TIP3 OH247465 0.633 0.396 2.034 + 1371TIP3 H147466 0.647 0.491 2.037 + 1371TIP3 H247467 0.567 0.389 1.964 + 1372TIP3 OH247468 0.489 0.349 2.333 + 1372TIP3 H147469 0.496 0.294 2.413 + 1372TIP3 H247470 0.474 0.282 2.264 + 1372TIP3 OH247471 -0.261 0.313 2.502 + 1372TIP3 H147472 -0.259 0.237 2.563 + 1372TIP3 H247473 -0.187 0.366 2.536 + 1372TIP3 OH247474 0.866 0.626 2.164 + 1372TIP3 H147475 0.829 0.552 2.214 + 1372TIP3 H247476 0.891 0.687 2.234 + 1372TIP3 OH247477 -0.194 0.763 2.352 + 1372TIP3 H147478 -0.213 0.672 2.322 + 1372TIP3 H247479 -0.099 0.757 2.371 + 1372TIP3 OH247480 0.575 1.160 2.226 + 1372TIP3 H147481 0.631 1.086 2.195 + 1372TIP3 H247482 0.544 1.127 2.311 + 1372TIP3 OH247483 0.344 0.598 2.395 + 1372TIP3 H147484 0.378 0.529 2.335 + 1372TIP3 H247485 0.426 0.615 2.445 + 1372TIP3 OH247486 1.214 -0.250 2.459 + 1372TIP3 H147487 1.236 -0.186 2.529 + 1372TIP3 H247488 1.272 -0.219 2.387 + 1372TIP3 OH247489 0.673 0.035 2.437 + 1372TIP3 H147490 0.686 -0.062 2.443 + 1372TIP3 H247491 0.665 0.046 2.341 + 1372TIP3 OH247492 -0.011 -0.138 2.151 + 1372TIP3 H147493 -0.012 -0.079 2.076 + 1372TIP3 H247494 0.008 -0.226 2.111 + 1372TIP3 OH247495 0.766 -0.134 1.986 + 1372TIP3 H147496 0.827 -0.189 2.038 + 1372TIP3 H247497 0.820 -0.105 1.912 + 1373TIP3 OH247498 0.155 0.222 2.121 + 1373TIP3 H147499 0.236 0.186 2.162 + 1373TIP3 H247500 0.100 0.143 2.116 + 1373TIP3 OH247501 1.287 -0.109 2.707 + 1373TIP3 H147502 1.226 -0.039 2.677 + 1373TIP3 H247503 1.261 -0.116 2.800 + 1373TIP3 OH247504 -0.151 -0.271 2.552 + 1373TIP3 H147505 -0.182 -0.209 2.484 + 1373TIP3 H247506 -0.215 -0.256 2.624 + 1373TIP3 OH247507 0.603 0.691 1.896 + 1373TIP3 H147508 0.576 0.674 1.804 + 1373TIP3 H247509 0.552 0.771 1.916 + 1373TIP3 OH247510 0.142 0.500 2.578 + 1373TIP3 H147511 0.072 0.563 2.603 + 1373TIP3 H247512 0.208 0.559 2.536 + 1373TIP3 OH247513 0.958 -0.238 2.188 + 1373TIP3 H147514 0.899 -0.282 2.250 + 1373TIP3 H247515 0.989 -0.162 2.241 + 1373TIP3 OH247516 -0.184 -0.074 2.346 + 1373TIP3 H147517 -0.122 -0.017 2.396 + 1373TIP3 H247518 -0.119 -0.110 2.280 + 1373TIP3 OH247519 -0.058 0.688 2.651 + 1373TIP3 H147520 -0.058 0.780 2.620 + 1373TIP3 H247521 -0.143 0.686 2.700 + 1373TIP3 OH247522 0.921 0.804 2.421 + 1373TIP3 H147523 0.824 0.815 2.421 + 1373TIP3 H247524 0.948 0.889 2.382 + 1373TIP3 OH247525 0.953 -0.305 2.572 + 1373TIP3 H147526 0.874 -0.270 2.525 + 1373TIP3 H247527 1.024 -0.290 2.507 + 1374TIP3 OH247528 0.269 -0.532 2.288 + 1374TIP3 H147529 0.249 -0.621 2.255 + 1374TIP3 H247530 0.180 -0.492 2.290 + 1374TIP3 OH247531 0.755 0.994 2.076 + 1374TIP3 H147532 0.798 0.915 2.038 + 1374TIP3 H247533 0.820 1.064 2.055 + 1374TIP3 OH247534 0.900 0.774 1.906 + 1374TIP3 H147535 0.833 0.729 1.854 + 1374TIP3 H247536 0.901 0.720 1.987 + 1374TIP3 OH247537 1.052 0.666 2.786 + 1374TIP3 H147538 1.039 0.602 2.714 + 1374TIP3 H247539 1.061 0.750 2.737 + 1374TIP3 OH247540 0.511 0.368 1.742 + 1374TIP3 H147541 0.435 0.424 1.720 + 1374TIP3 H247542 0.570 0.392 1.670 + 1374TIP3 OH247543 1.228 0.285 2.576 + 1374TIP3 H147544 1.155 0.349 2.585 + 1374TIP3 H247545 1.274 0.321 2.498 + 1374TIP3 OH247546 0.810 0.210 2.748 + 1374TIP3 H147547 0.816 0.293 2.798 + 1374TIP3 H247548 0.748 0.239 2.679 + 1374TIP3 OH247549 -0.029 0.415 2.017 + 1374TIP3 H147550 -0.044 0.387 1.926 + 1374TIP3 H247551 0.045 0.359 2.046 + 1374TIP3 OH247552 0.116 0.766 2.316 + 1374TIP3 H147553 0.116 0.739 2.223 + 1374TIP3 H247554 0.199 0.727 2.348 + 1374TIP3 OH247555 0.044 0.316 2.384 + 1374TIP3 H147556 0.105 0.323 2.308 + 1374TIP3 H247557 0.084 0.379 2.447 + 1375TIP3 OH247558 0.640 0.866 2.447 + 1375TIP3 H147559 0.641 0.935 2.516 + 1375TIP3 H247560 0.618 0.785 2.496 + 1375TIP3 OH247561 0.130 0.743 2.876 + 1375TIP3 H147562 0.083 0.815 2.922 + 1375TIP3 H247563 0.068 0.723 2.803 + 1375TIP3 OH247564 -0.179 0.389 2.784 + 1375TIP3 H147565 -0.171 0.445 2.864 + 1375TIP3 H247566 -0.275 0.375 2.779 + 1375TIP3 OH247567 0.464 0.961 1.970 + 1375TIP3 H147568 0.517 0.995 2.042 + 1375TIP3 H247569 0.421 1.040 1.933 + 1375TIP3 OH247570 -0.062 0.966 2.954 + 1375TIP3 H147571 -0.071 0.970 2.858 + 1375TIP3 H247572 -0.149 0.935 2.985 + 1375TIP3 OH247573 -0.518 0.574 2.666 + 1375TIP3 H147574 -0.559 0.574 2.577 + 1375TIP3 H247575 -0.500 0.480 2.682 + 1375TIP3 OH247576 -0.512 0.864 2.364 + 1375TIP3 H147577 -0.419 0.838 2.362 + 1375TIP3 H247578 -0.511 0.930 2.435 + 1375TIP3 OH247579 1.329 0.929 2.938 + 1375TIP3 H147580 1.317 0.834 2.920 + 1375TIP3 H247581 1.238 0.953 2.966 + 1375TIP3 OH247582 0.395 0.857 2.823 + 1375TIP3 H147583 0.403 0.942 2.873 + 1375TIP3 H247584 0.305 0.830 2.848 + 1375TIP3 OH247585 0.420 1.235 1.811 + 1375TIP3 H147586 0.420 1.232 1.714 + 1375TIP3 H247587 0.432 1.328 1.832 + 1376TIP3 OH247588 -0.219 1.122 1.963 + 1376TIP3 H147589 -0.206 1.080 2.049 + 1376TIP3 H247590 -0.298 1.077 1.928 + 1376TIP3 OH247591 0.759 1.162 1.496 + 1376TIP3 H147592 0.806 1.090 1.452 + 1376TIP3 H247593 0.761 1.136 1.589 + 1376TIP3 OH247594 0.697 1.133 1.794 + 1376TIP3 H147595 0.600 1.135 1.807 + 1376TIP3 H247596 0.719 1.056 1.848 + 1376TIP3 OH247597 1.007 0.065 2.978 + 1376TIP3 H147598 0.956 0.105 2.906 + 1376TIP3 H247599 1.012 -0.028 2.950 + 1376TIP3 OH247600 -0.300 0.732 2.796 + 1376TIP3 H147601 -0.269 0.682 2.874 + 1376TIP3 H247602 -0.366 0.672 2.757 + 1376TIP3 OH247603 -0.001 -0.424 2.358 + 1376TIP3 H147604 -0.083 -0.430 2.306 + 1376TIP3 H247605 -0.026 -0.357 2.424 + 1376TIP3 OH247606 0.460 -0.460 2.739 + 1376TIP3 H147607 0.514 -0.519 2.795 + 1376TIP3 H247608 0.372 -0.502 2.742 + 1376TIP3 OH247609 0.779 -0.085 2.786 + 1376TIP3 H147610 0.715 -0.101 2.859 + 1376TIP3 H247611 0.770 0.011 2.770 + 1376TIP3 OH247612 -0.004 0.054 2.505 + 1376TIP3 H147613 -0.046 0.068 2.591 + 1376TIP3 H247614 0.016 0.145 2.475 + 1376TIP3 OH247615 0.550 0.106 1.858 + 1376TIP3 H147616 0.528 0.193 1.823 + 1376TIP3 H247617 0.611 0.070 1.792 + 1377TIP3 OH247618 0.482 0.142 3.013 + 1377TIP3 H147619 0.433 0.064 3.046 + 1377TIP3 H247620 0.571 0.127 3.050 + 1377TIP3 OH247621 0.645 0.058 2.137 + 1377TIP3 H147622 0.620 0.114 2.061 + 1377TIP3 H247623 0.670 -0.023 2.088 + 1377TIP3 OH247624 -0.269 0.072 2.695 + 1377TIP3 H147625 -0.219 0.104 2.771 + 1377TIP3 H247626 -0.288 -0.020 2.722 + 1377TIP3 OH247627 0.559 0.227 2.597 + 1377TIP3 H147628 0.603 0.157 2.543 + 1377TIP3 H247629 0.529 0.176 2.674 + 1377TIP3 OH247630 0.716 -0.264 2.397 + 1377TIP3 H147631 0.653 -0.263 2.472 + 1377TIP3 H247632 0.655 -0.298 2.328 + 1377TIP3 OH247633 1.021 1.314 3.068 + 1377TIP3 H147634 1.041 1.360 2.985 + 1377TIP3 H247635 1.092 1.346 3.126 + 1377TIP3 OH247636 -0.190 0.575 3.010 + 1377TIP3 H147637 -0.120 0.584 3.078 + 1377TIP3 H247638 -0.269 0.578 3.068 + 1377TIP3 OH247639 0.374 0.076 2.271 + 1377TIP3 H147640 0.448 0.036 2.224 + 1377TIP3 H247641 0.363 0.015 2.346 + 1377TIP3 OH247642 0.281 -0.075 2.507 + 1377TIP3 H147643 0.202 -0.019 2.509 + 1377TIP3 H247644 0.329 -0.049 2.589 + 1377TIP3 OH247645 0.252 0.565 1.675 + 1377TIP3 H147646 0.198 0.489 1.655 + 1377TIP3 H247647 0.266 0.563 1.771 + 1378TIP3 OH247648 1.015 0.478 2.571 + 1378TIP3 H147649 1.065 0.532 2.506 + 1378TIP3 H247650 0.931 0.463 2.523 + 1378TIP3 OH247651 0.451 0.566 2.828 + 1378TIP3 H147652 0.429 0.535 2.917 + 1378TIP3 H247653 0.430 0.660 2.831 + 1378TIP3 OH247654 -0.207 0.488 2.259 + 1378TIP3 H147655 -0.146 0.483 2.184 + 1378TIP3 H247656 -0.178 0.412 2.312 + 1378TIP3 OH247657 0.532 0.681 1.630 + 1378TIP3 H147658 0.513 0.775 1.614 + 1378TIP3 H247659 0.477 0.640 1.562 + 1378TIP3 OH247660 -0.477 0.327 2.805 + 1378TIP3 H147661 -0.450 0.286 2.889 + 1378TIP3 H247662 -0.522 0.254 2.760 + 1378TIP3 OH247663 0.229 0.276 3.000 + 1378TIP3 H147664 0.204 0.256 2.908 + 1378TIP3 H247665 0.323 0.249 2.999 + 1378TIP3 OH247666 0.683 0.817 2.778 + 1378TIP3 H147667 0.587 0.835 2.772 + 1378TIP3 H247668 0.701 0.847 2.869 + 1378TIP3 OH247669 1.283 0.632 2.932 + 1378TIP3 H147670 1.189 0.653 2.913 + 1378TIP3 H247671 1.315 0.613 2.842 + 1378TIP3 OH247672 0.784 0.415 2.401 + 1378TIP3 H147673 0.692 0.403 2.372 + 1378TIP3 H247674 0.828 0.346 2.346 + 1378TIP3 OH247675 0.034 0.832 2.013 + 1378TIP3 H147676 0.089 0.909 1.993 + 1378TIP3 H247677 -0.047 0.854 1.967 + 1379TIP3 OH247678 0.227 0.589 1.983 + 1379TIP3 H147679 0.210 0.684 1.974 + 1379TIP3 H247680 0.140 0.553 2.002 + 1379TIP3 OH247681 0.245 1.019 2.601 + 1379TIP3 H147682 0.295 1.099 2.577 + 1379TIP3 H247683 0.306 0.978 2.664 + 1379TIP3 OH247684 0.085 1.120 1.935 + 1379TIP3 H147685 -0.011 1.132 1.929 + 1379TIP3 H247686 0.116 1.211 1.952 + 1379TIP3 OH247687 0.587 0.598 2.557 + 1379TIP3 H147688 0.559 0.572 2.646 + 1379TIP3 H247689 0.660 0.536 2.540 + 1379TIP3 OH247690 0.882 1.055 2.796 + 1379TIP3 H147691 0.804 1.012 2.756 + 1379TIP3 H247692 0.888 1.137 2.745 + 1379TIP3 OH247693 -0.333 -0.204 2.764 + 1379TIP3 H147694 -0.425 -0.187 2.739 + 1379TIP3 H247695 -0.340 -0.294 2.803 + 1379TIP3 OH247696 -0.366 0.969 2.608 + 1379TIP3 H147697 -0.328 0.880 2.621 + 1379TIP3 H247698 -0.333 1.012 2.688 + 1379TIP3 OH247699 0.559 -0.218 2.625 + 1379TIP3 H147700 0.626 -0.199 2.693 + 1379TIP3 H247701 0.512 -0.295 2.662 + 1379TIP3 OH247702 0.420 0.956 1.647 + 1379TIP3 H147703 0.324 0.975 1.654 + 1379TIP3 H247704 0.444 1.003 1.567 + 1379TIP3 OH247705 0.398 0.013 2.760 + 1379TIP3 H147706 0.413 0.062 2.842 + 1379TIP3 H247707 0.454 -0.065 2.773 + 1380TIP3 OH247708 0.142 1.051 1.650 + 1380TIP3 H147709 0.130 1.130 1.594 + 1380TIP3 H247710 0.125 1.085 1.739 + 1380TIP3 OH247711 1.031 -0.187 2.846 + 1380TIP3 H147712 0.935 -0.174 2.832 + 1380TIP3 H247713 1.055 -0.211 2.755 + 1380TIP3 OH247714 0.883 0.198 2.241 + 1380TIP3 H147715 0.805 0.155 2.202 + 1380TIP3 H247716 0.931 0.123 2.282 + 1380TIP3 OH247717 0.984 1.082 2.387 + 1380TIP3 H147718 0.966 1.164 2.337 + 1380TIP3 H247719 1.077 1.097 2.412 + 1380TIP3 OH247720 -0.271 -0.442 2.267 + 1380TIP3 H147721 -0.287 -0.462 2.174 + 1380TIP3 H247722 -0.302 -0.523 2.310 + 1380TIP3 OH247723 -0.433 1.179 3.037 + 1380TIP3 H147724 -0.372 1.151 3.108 + 1380TIP3 H247725 -0.468 1.093 3.007 + 1380TIP3 OH247726 0.030 1.073 3.210 + 1380TIP3 H147727 0.111 1.022 3.228 + 1380TIP3 H247728 0.019 1.054 3.115 + 1380TIP3 OH247729 0.697 0.904 3.062 + 1380TIP3 H147730 0.653 0.826 3.100 + 1380TIP3 H247731 0.761 0.927 3.131 + 1380TIP3 OH247732 -0.433 0.536 3.142 + 1380TIP3 H147733 -0.420 0.446 3.107 + 1380TIP3 H247734 -0.507 0.567 3.086 + 1380TIP3 OH247735 0.228 0.553 3.077 + 1380TIP3 H147736 0.205 0.590 2.990 + 1380TIP3 H247737 0.239 0.458 3.058 + 1381TIP3 OH247738 0.768 0.518 2.815 + 1381TIP3 H147739 0.848 0.569 2.793 + 1381TIP3 H247740 0.701 0.588 2.811 + 1381TIP3 OH247741 -0.346 0.249 3.054 + 1381TIP3 H147742 -0.271 0.187 3.053 + 1381TIP3 H247743 -0.348 0.272 3.149 + 1381TIP3 OH247744 0.014 0.161 2.787 + 1381TIP3 H147745 -0.027 0.242 2.821 + 1381TIP3 H247746 0.090 0.197 2.738 + 1381TIP3 OH247747 0.552 0.434 3.158 + 1381TIP3 H147748 0.642 0.416 3.125 + 1381TIP3 H247749 0.528 0.347 3.195 + 1381TIP3 OH247750 0.078 -0.109 2.915 + 1381TIP3 H147751 0.089 -0.176 2.844 + 1381TIP3 H247752 0.063 -0.029 2.862 + 1381TIP3 OH247753 0.110 -0.255 2.660 + 1381TIP3 H147754 0.170 -0.214 2.594 + 1381TIP3 H247755 0.024 -0.257 2.613 + 1381TIP3 OH247756 0.265 0.283 2.701 + 1381TIP3 H147757 0.350 0.272 2.656 + 1381TIP3 H247758 0.239 0.372 2.669 + 1381TIP3 OH247759 0.727 0.077 3.181 + 1381TIP3 H147760 0.750 -0.017 3.189 + 1381TIP3 H247761 0.815 0.117 3.173 + 1381TIP3 OH247762 0.823 0.356 3.028 + 1381TIP3 H147763 0.790 0.417 2.959 + 1381TIP3 H247764 0.913 0.339 2.991 + 1381TIP3 OH247765 -0.101 0.079 3.091 + 1381TIP3 H147766 -0.152 -0.005 3.093 + 1381TIP3 H247767 -0.018 0.049 3.051 + 1382TIP3 OH247768 0.183 -0.527 2.703 + 1382TIP3 H147769 0.169 -0.433 2.679 + 1382TIP3 H247770 0.121 -0.572 2.642 + 1382TIP3 OH247771 0.312 -0.069 3.076 + 1382TIP3 H147772 0.277 -0.093 3.163 + 1382TIP3 H247773 0.233 -0.091 3.020 + 1382TIP3 OH247774 0.569 -0.163 2.963 + 1382TIP3 H147775 0.479 -0.163 3.001 + 1382TIP3 H247776 0.614 -0.230 3.018 + 1382TIP3 OH247777 0.751 -0.317 3.134 + 1382TIP3 H147778 0.737 -0.413 3.148 + 1382TIP3 H247779 0.733 -0.278 3.221 + 1382TIP3 OH247780 -0.235 -0.177 3.079 + 1382TIP3 H147781 -0.239 -0.249 3.013 + 1382TIP3 H247782 -0.254 -0.225 3.161 + 1382TIP3 OH247783 0.170 -0.579 2.978 + 1382TIP3 H147784 0.231 -0.655 2.981 + 1382TIP3 H247785 0.166 -0.564 2.881 + 1382TIP3 OH247786 0.263 -0.394 3.165 + 1382TIP3 H147787 0.240 -0.453 3.090 + 1382TIP3 H247788 0.194 -0.326 3.161 + 1382TIP3 OH247789 0.173 1.299 1.500 + 1382TIP3 H147790 0.267 1.296 1.519 + 1382TIP3 H247791 0.170 1.370 1.434 + 1382TIP3 OH247792 -0.563 1.267 1.940 + 1382TIP3 H147793 -0.614 1.217 1.873 + 1382TIP3 H247794 -0.530 1.194 1.996 + 1382TIP3 OH247795 -0.495 1.066 2.129 + 1382TIP3 H147796 -0.524 0.979 2.161 + 1382TIP3 H247797 -0.456 1.103 2.209 + 1383TIP3 OH247798 1.256 1.200 2.437 + 1383TIP3 H147799 1.272 1.196 2.532 + 1383TIP3 H247800 1.343 1.228 2.404 + 1383TIP3 OH247801 1.247 1.144 2.725 + 1383TIP3 H147802 1.193 1.070 2.690 + 1383TIP3 H247803 1.300 1.096 2.790 + 1383TIP3 OH247804 1.046 0.686 3.155 + 1383TIP3 H147805 0.957 0.694 3.193 + 1383TIP3 H247806 1.090 0.767 3.185 + 1383TIP3 OH247807 1.207 0.621 2.426 + 1383TIP3 H147808 1.264 0.572 2.364 + 1383TIP3 H247809 1.216 0.712 2.393 + 1383TIP3 OH247810 1.076 0.914 2.648 + 1383TIP3 H147811 1.002 0.956 2.697 + 1383TIP3 H247812 1.030 0.878 2.569 + 1383TIP3 OH247813 1.033 0.214 1.965 + 1383TIP3 H147814 1.020 0.119 1.952 + 1383TIP3 H247815 0.996 0.229 2.054 + 1383TIP3 OH247816 -0.488 0.395 2.351 + 1383TIP3 H147817 -0.451 0.407 2.262 + 1383TIP3 H247818 -0.405 0.382 2.401 + 1383TIP3 OH247819 1.085 0.378 2.920 + 1383TIP3 H147820 1.158 0.317 2.939 + 1383TIP3 H247821 1.130 0.461 2.902 + 1383TIP3 OH247822 1.240 0.189 3.042 + 1383TIP3 H147823 1.161 0.135 3.020 + 1383TIP3 H247824 1.311 0.121 3.040 + 1383TIP3 OH247825 1.018 -0.039 1.835 + 1383TIP3 H147826 1.017 -0.134 1.819 + 1383TIP3 H247827 1.069 -0.007 1.760 + 1384TIP3 OH247828 1.033 -0.007 2.367 + 1384TIP3 H147829 1.130 0.007 2.365 + 1384TIP3 H247830 1.017 -0.002 2.462 + 1384TIP3 OH247831 1.053 0.067 2.651 + 1384TIP3 H147832 0.966 0.103 2.676 + 1384TIP3 H247833 1.103 0.147 2.628 + 1384TIP3 OH247834 -0.501 -0.061 3.012 + 1384TIP3 H147835 -0.407 -0.085 3.021 + 1384TIP3 H247836 -0.543 -0.148 3.025 + 1384TIP3 OH247837 1.308 -0.519 3.179 + 1384TIP3 H147838 1.348 -0.588 3.124 + 1384TIP3 H247839 1.310 -0.441 3.120 + 1384TIP3 OH247840 1.084 -0.340 1.817 + 1384TIP3 H147841 1.062 -0.369 1.907 + 1384TIP3 H247842 1.009 -0.378 1.770 + 1384TIP3 OH247843 1.245 -0.314 3.003 + 1384TIP3 H147844 1.157 -0.272 3.009 + 1384TIP3 H247845 1.232 -0.369 2.924 + 1384TIP3 OH247846 0.947 1.208 2.004 + 1384TIP3 H147847 0.997 1.172 1.928 + 1384TIP3 H247848 1.018 1.236 2.063 + 1384TIP3 OH247849 -0.511 -0.427 2.636 + 1384TIP3 H147850 -0.578 -0.475 2.685 + 1384TIP3 H247851 -0.565 -0.393 2.561 + 1384TIP3 OH247852 -0.316 0.870 3.090 + 1384TIP3 H147853 -0.389 0.875 3.027 + 1384TIP3 H247854 -0.361 0.876 3.175 + 1384TIP3 OH247855 -0.033 0.974 2.656 + 1384TIP3 H147856 -0.059 1.061 2.621 + 1384TIP3 H247857 0.064 0.979 2.641 + 1385TIP3 OH247858 0.405 1.095 2.952 + 1385TIP3 H147859 0.385 1.118 3.044 + 1385TIP3 H247860 0.458 1.172 2.925 + 1385TIP3 OH247861 0.648 1.254 2.880 + 1385TIP3 H147862 0.706 1.178 2.865 + 1385TIP3 H247863 0.669 1.276 2.973 + 1385TIP3 OH247864 1.132 -0.491 2.802 + 1385TIP3 H147865 1.051 -0.472 2.750 + 1385TIP3 H247866 1.153 -0.581 2.769 + 1385TIP3 OH247867 -0.298 1.260 2.692 + 1385TIP3 H147868 -0.344 1.331 2.646 + 1385TIP3 H247869 -0.322 1.277 2.784 + 1385TIP3 OH247870 -0.044 1.244 2.543 + 1385TIP3 H147871 -0.125 1.269 2.591 + 1385TIP3 H247872 -0.034 1.315 2.477 + 1385TIP3 OH247873 0.428 1.243 2.500 + 1385TIP3 H147874 0.391 1.294 2.426 + 1385TIP3 H247875 0.431 1.312 2.570 + 1385TIP3 OH247876 0.663 1.117 2.592 + 1385TIP3 H147877 0.577 1.152 2.562 + 1385TIP3 H247878 0.716 1.198 2.594 + 1385TIP3 OH247879 0.920 1.291 2.614 + 1385TIP3 H147880 0.912 1.385 2.590 + 1385TIP3 H247881 0.943 1.253 2.528 + 1385TIP3 OH247882 -0.339 1.146 2.385 + 1385TIP3 H147883 -0.334 1.100 2.471 + 1385TIP3 H247884 -0.261 1.107 2.340 + 1385TIP3 OH247885 -0.139 1.025 2.235 + 1385TIP3 H147886 -0.143 0.929 2.253 + 1385TIP3 H247887 -0.045 1.044 2.256 + 1386TIP3 OH247888 0.138 1.070 2.318 + 1386TIP3 H147889 0.163 0.980 2.292 + 1386TIP3 H247890 0.151 1.066 2.414 + 1386TIP3 OH247891 0.501 -0.352 2.236 + 1386TIP3 H147892 0.416 -0.398 2.249 + 1386TIP3 H247893 0.525 -0.389 2.150 + 1386TIP3 OH247894 0.945 -0.542 2.276 + 1386TIP3 H147895 1.020 -0.499 2.233 + 1386TIP3 H247896 0.869 -0.517 2.220 + 1386TIP3 OH247897 1.235 -0.421 2.102 + 1386TIP3 H147898 1.214 -0.482 2.030 + 1386TIP3 H247899 1.183 -0.342 2.086 + 1386TIP3 OH247900 0.481 1.222 1.489 + 1386TIP3 H147901 0.579 1.226 1.484 + 1386TIP3 H247902 0.461 1.168 1.411 + 1386TIP3 OH247903 1.121 1.125 1.762 + 1386TIP3 H147904 1.120 1.042 1.712 + 1386TIP3 H247905 1.135 1.190 1.691 + 1386TIP3 OH247906 -0.312 -0.443 2.962 + 1386TIP3 H147907 -0.351 -0.528 2.991 + 1386TIP3 H247908 -0.218 -0.460 2.978 + 1386TIP3 OH247909 -0.070 -0.506 3.132 + 1386TIP3 H147910 0.012 -0.537 3.088 + 1386TIP3 H247911 -0.103 -0.590 3.169 + 1386TIP3 OH247912 0.740 -0.596 3.148 + 1386TIP3 H147913 0.745 -0.639 3.236 + 1386TIP3 H247914 0.833 -0.601 3.120 + 1386TIP3 OH247915 1.077 1.037 3.016 + 1386TIP3 H147916 1.003 1.017 2.955 + 1386TIP3 H247917 1.058 1.131 3.036 + 1387TIP3 OH247918 2.502 0.406 2.028 + 1387TIP3 H147919 2.496 0.502 2.036 + 1387TIP3 H247920 2.426 0.386 1.970 + 1387TIP3 OH247921 2.388 0.349 2.339 + 1387TIP3 H147922 2.380 0.292 2.418 + 1387TIP3 H247923 2.352 0.289 2.271 + 1387TIP3 OH247924 1.632 0.309 2.501 + 1387TIP3 H147925 1.627 0.235 2.564 + 1387TIP3 H247926 1.699 0.365 2.542 + 1387TIP3 OH247927 2.750 0.620 2.169 + 1387TIP3 H147928 2.711 0.548 2.221 + 1387TIP3 H247929 2.782 0.679 2.237 + 1387TIP3 OH247930 1.694 0.766 2.351 + 1387TIP3 H147931 1.670 0.676 2.319 + 1387TIP3 H247932 1.788 0.752 2.371 + 1387TIP3 OH247933 1.374 0.116 1.885 + 1387TIP3 H147934 1.333 0.201 1.908 + 1387TIP3 H247935 1.305 0.075 1.832 + 1387TIP3 OH247936 1.453 0.371 2.067 + 1387TIP3 H147937 1.458 0.284 2.109 + 1387TIP3 H247938 1.539 0.379 2.024 + 1387TIP3 OH247939 2.457 1.163 2.213 + 1387TIP3 H147940 2.513 1.087 2.190 + 1387TIP3 H247941 2.413 1.139 2.296 + 1387TIP3 OH247942 2.236 0.604 2.393 + 1387TIP3 H147943 2.264 0.527 2.341 + 1387TIP3 H247944 2.318 0.620 2.444 + 1387TIP3 OH247945 3.092 -0.232 2.449 + 1387TIP3 H147946 3.125 -0.198 2.533 + 1387TIP3 H247947 3.171 -0.232 2.392 + 1388TIP3 OH247948 2.570 0.034 2.442 + 1388TIP3 H147949 2.569 -0.063 2.453 + 1388TIP3 H247950 2.546 0.042 2.348 + 1388TIP3 OH247951 1.853 -0.171 2.136 + 1388TIP3 H147952 1.866 -0.084 2.094 + 1388TIP3 H247953 1.806 -0.218 2.066 + 1388TIP3 OH247954 2.621 -0.156 1.982 + 1388TIP3 H147955 2.684 -0.206 2.036 + 1388TIP3 H247956 2.677 -0.126 1.910 + 1388TIP3 OH247957 1.531 0.117 2.199 + 1388TIP3 H147958 1.586 0.063 2.258 + 1388TIP3 H247959 1.521 0.061 2.121 + 1388TIP3 OH247960 2.070 0.247 2.146 + 1388TIP3 H147961 2.132 0.185 2.189 + 1388TIP3 H247962 2.012 0.186 2.098 + 1388TIP3 OH247963 3.166 -0.104 2.696 + 1388TIP3 H147964 3.093 -0.040 2.684 + 1388TIP3 H247965 3.160 -0.117 2.792 + 1388TIP3 OH247966 1.736 -0.288 2.561 + 1388TIP3 H147967 1.699 -0.226 2.496 + 1388TIP3 H247968 1.671 -0.277 2.634 + 1388TIP3 OH247969 2.483 0.694 1.890 + 1388TIP3 H147970 2.436 0.669 1.811 + 1388TIP3 H247971 2.442 0.780 1.911 + 1388TIP3 OH247972 2.033 0.503 2.581 + 1388TIP3 H147973 1.956 0.558 2.608 + 1388TIP3 H247974 2.090 0.568 2.537 + 1388TIP3 OH247975 2.826 -0.218 2.186 + 1388TIP3 H147976 2.781 -0.281 2.244 + 1388TIP3 H247977 2.885 -0.172 2.247 + 1389TIP3 OH247978 1.704 -0.089 2.359 + 1389TIP3 H147979 1.766 -0.027 2.403 + 1389TIP3 H247980 1.760 -0.122 2.286 + 1389TIP3 OH247981 1.830 0.687 2.653 + 1389TIP3 H147982 1.825 0.780 2.622 + 1389TIP3 H247983 1.743 0.680 2.696 + 1389TIP3 OH247984 2.795 0.807 2.440 + 1389TIP3 H147985 2.703 0.787 2.420 + 1389TIP3 H247986 2.818 0.881 2.380 + 1389TIP3 OH247987 2.838 -0.303 2.572 + 1389TIP3 H147988 2.758 -0.272 2.527 + 1389TIP3 H247989 2.907 -0.292 2.504 + 1389TIP3 OH247990 2.152 -0.537 2.279 + 1389TIP3 H147991 2.128 -0.632 2.273 + 1389TIP3 H247992 2.069 -0.499 2.315 + 1389TIP3 OH247993 2.650 0.991 2.100 + 1389TIP3 H147994 2.687 0.919 2.047 + 1389TIP3 H247995 2.700 1.067 2.064 + 1389TIP3 OH247996 2.782 0.781 1.938 + 1389TIP3 H147997 2.727 0.741 1.869 + 1389TIP3 H247998 2.773 0.715 2.010 + 1389TIP3 OH247999 2.932 0.668 2.786 + 1389TIP3 H148000 2.924 0.599 2.717 + 1389TIP3 H248001 2.951 0.748 2.734 + 1389TIP3 OH248002 2.373 0.343 1.774 + 1389TIP3 H148003 2.299 0.391 1.735 + 1389TIP3 H248004 2.437 0.338 1.700 + 1389TIP3 OH248005 3.116 0.265 2.546 + 1389TIP3 H148006 3.053 0.333 2.578 + 1389TIP3 H248007 3.172 0.315 2.486 + 1390TIP3 OH248008 2.714 0.359 1.859 + 1390TIP3 H148009 2.641 0.380 1.922 + 1390TIP3 H248010 2.760 0.290 1.909 + 1390TIP3 OH248011 2.698 0.211 2.746 + 1390TIP3 H148012 2.699 0.291 2.801 + 1390TIP3 H248013 2.629 0.238 2.683 + 1390TIP3 OH248014 1.868 0.440 2.019 + 1390TIP3 H148015 1.835 0.406 1.934 + 1390TIP3 H248016 1.939 0.379 2.043 + 1390TIP3 OH248017 2.007 0.774 2.313 + 1390TIP3 H148018 1.993 0.746 2.221 + 1390TIP3 H248019 2.086 0.723 2.339 + 1390TIP3 OH248020 1.934 0.313 2.390 + 1390TIP3 H148021 1.987 0.322 2.309 + 1390TIP3 H248022 1.969 0.383 2.448 + 1390TIP3 OH248023 2.017 0.749 2.869 + 1390TIP3 H148024 1.966 0.811 2.924 + 1390TIP3 H248025 1.949 0.721 2.804 + 1390TIP3 OH248026 2.601 0.288 1.608 + 1390TIP3 H148027 2.656 0.318 1.683 + 1390TIP3 H248028 2.645 0.332 1.532 + 1390TIP3 OH248029 1.709 0.388 2.784 + 1390TIP3 H148030 1.713 0.444 2.864 + 1390TIP3 H248031 1.613 0.373 2.777 + 1390TIP3 OH248032 2.366 0.962 1.967 + 1390TIP3 H148033 2.389 1.007 2.048 + 1390TIP3 H248034 2.306 1.026 1.925 + 1390TIP3 OH248035 1.825 0.965 2.955 + 1390TIP3 H148036 1.812 0.966 2.859 + 1390TIP3 H248037 1.737 0.938 2.989 + 1391TIP3 OH248038 2.937 -0.534 1.591 + 1391TIP3 H148039 2.839 -0.534 1.579 + 1391TIP3 H248040 2.957 -0.444 1.563 + 1391TIP3 OH248041 3.093 0.886 1.415 + 1391TIP3 H148042 3.106 0.980 1.434 + 1391TIP3 H248043 3.181 0.849 1.435 + 1391TIP3 OH248044 1.372 0.576 2.667 + 1391TIP3 H148045 1.326 0.577 2.580 + 1391TIP3 H248046 1.383 0.480 2.681 + 1391TIP3 OH248047 1.376 0.870 2.359 + 1391TIP3 H148048 1.467 0.839 2.366 + 1391TIP3 H248049 1.370 0.929 2.436 + 1391TIP3 OH248050 3.213 0.928 2.936 + 1391TIP3 H148051 3.202 0.832 2.924 + 1391TIP3 H248052 3.123 0.954 2.966 + 1391TIP3 OH248053 2.277 0.854 2.815 + 1391TIP3 H148054 2.285 0.932 2.874 + 1391TIP3 H248055 2.188 0.821 2.839 + 1391TIP3 OH248056 2.320 1.231 1.814 + 1391TIP3 H148057 2.302 1.232 1.718 + 1391TIP3 H248058 2.313 1.324 1.838 + 1391TIP3 OH248059 1.661 1.120 1.962 + 1391TIP3 H148060 1.688 1.079 2.046 + 1391TIP3 H248061 1.574 1.079 1.950 + 1391TIP3 OH248062 2.640 1.179 1.532 + 1391TIP3 H148063 2.697 1.113 1.488 + 1391TIP3 H248064 2.631 1.139 1.621 + 1391TIP3 OH248065 2.580 1.119 1.818 + 1391TIP3 H148066 2.484 1.138 1.820 + 1391TIP3 H248067 2.581 1.037 1.870 + 1392TIP3 OH248068 2.897 0.068 2.975 + 1392TIP3 H148069 2.836 0.102 2.909 + 1392TIP3 H248070 2.898 -0.027 2.953 + 1392TIP3 OH248071 1.590 0.730 2.790 + 1392TIP3 H148072 1.616 0.684 2.873 + 1392TIP3 H248073 1.516 0.676 2.758 + 1392TIP3 OH248074 1.906 -0.422 2.368 + 1392TIP3 H148075 1.831 -0.426 2.306 + 1392TIP3 H248076 1.874 -0.354 2.431 + 1392TIP3 OH248077 2.347 -0.465 2.730 + 1392TIP3 H148078 2.398 -0.516 2.796 + 1392TIP3 H248079 2.256 -0.498 2.745 + 1392TIP3 OH248080 2.664 -0.082 2.787 + 1392TIP3 H148081 2.601 -0.104 2.859 + 1392TIP3 H248082 2.650 0.013 2.773 + 1392TIP3 OH248083 2.751 0.398 1.391 + 1392TIP3 H148084 2.730 0.392 1.296 + 1392TIP3 H248085 2.843 0.431 1.388 + 1392TIP3 OH248086 1.895 0.056 2.508 + 1392TIP3 H148087 1.837 0.066 2.585 + 1392TIP3 H248088 1.899 0.148 2.473 + 1392TIP3 OH248089 1.887 0.073 1.986 + 1392TIP3 H148090 1.791 0.070 1.970 + 1392TIP3 H248091 1.920 0.053 1.896 + 1392TIP3 OH248092 2.486 0.105 1.867 + 1392TIP3 H148093 2.433 0.185 1.847 + 1392TIP3 H248094 2.518 0.082 1.779 + 1392TIP3 OH248095 2.371 0.139 3.006 + 1392TIP3 H148096 2.318 0.066 3.046 + 1392TIP3 H248097 2.456 0.127 3.052 + 1393TIP3 OH248098 2.544 0.052 2.149 + 1393TIP3 H148099 2.515 0.107 2.075 + 1393TIP3 H248100 2.560 -0.031 2.099 + 1393TIP3 OH248101 1.631 0.072 2.691 + 1393TIP3 H148102 1.657 0.103 2.779 + 1393TIP3 H248103 1.594 -0.015 2.712 + 1393TIP3 OH248104 1.338 -0.151 2.053 + 1393TIP3 H148105 1.368 -0.191 2.137 + 1393TIP3 H248106 1.350 -0.222 1.989 + 1393TIP3 OH248107 2.449 0.227 2.599 + 1393TIP3 H148108 2.490 0.153 2.550 + 1393TIP3 H248109 2.409 0.180 2.675 + 1393TIP3 OH248110 2.167 -0.171 2.101 + 1393TIP3 H148111 2.072 -0.188 2.117 + 1393TIP3 H248112 2.206 -0.202 2.184 + 1393TIP3 OH248113 1.623 -0.075 1.945 + 1393TIP3 H148114 1.536 -0.033 1.935 + 1393TIP3 H248115 1.629 -0.129 1.866 + 1393TIP3 OH248116 1.972 0.008 1.719 + 1393TIP3 H148117 2.064 -0.021 1.733 + 1393TIP3 H248118 1.977 0.064 1.641 + 1393TIP3 OH248119 2.605 -0.265 2.401 + 1393TIP3 H148120 2.542 -0.264 2.476 + 1393TIP3 H248121 2.546 -0.299 2.331 + 1393TIP3 OH248122 2.907 1.312 3.065 + 1393TIP3 H148123 2.929 1.361 2.984 + 1393TIP3 H248124 2.971 1.347 3.129 + 1393TIP3 OH248125 1.697 0.578 3.011 + 1393TIP3 H148126 1.764 0.583 3.083 + 1393TIP3 H248127 1.616 0.574 3.065 + 1394TIP3 OH248128 2.276 0.080 2.285 + 1394TIP3 H148129 2.336 0.025 2.232 + 1394TIP3 H248130 2.250 0.019 2.357 + 1394TIP3 OH248131 2.169 -0.071 2.502 + 1394TIP3 H148132 2.087 -0.019 2.508 + 1394TIP3 H248133 2.215 -0.050 2.586 + 1394TIP3 OH248134 2.909 0.473 2.569 + 1394TIP3 H148135 2.951 0.529 2.502 + 1394TIP3 H248136 2.819 0.461 2.533 + 1394TIP3 OH248137 2.355 0.571 2.822 + 1394TIP3 H148138 2.319 0.524 2.899 + 1394TIP3 H248139 2.307 0.655 2.827 + 1394TIP3 OH248140 2.708 0.022 1.603 + 1394TIP3 H148141 2.719 -0.013 1.693 + 1394TIP3 H248142 2.646 0.097 1.614 + 1394TIP3 OH248143 1.698 0.495 2.261 + 1394TIP3 H148144 1.756 0.486 2.184 + 1394TIP3 H248145 1.706 0.409 2.304 + 1394TIP3 OH248146 1.419 0.327 2.805 + 1394TIP3 H148147 1.434 0.284 2.891 + 1394TIP3 H248148 1.357 0.267 2.760 + 1394TIP3 OH248149 2.116 0.280 3.003 + 1394TIP3 H148150 2.081 0.252 2.916 + 1394TIP3 H248151 2.209 0.251 2.996 + 1394TIP3 OH248152 2.565 0.870 2.768 + 1394TIP3 H148153 2.473 0.836 2.765 + 1394TIP3 H248154 2.586 0.851 2.861 + 1394TIP3 OH248155 3.120 0.025 1.645 + 1394TIP3 H148156 3.074 -0.013 1.569 + 1394TIP3 H248157 3.123 0.120 1.622 + 1395TIP3 OH248158 3.167 0.632 2.933 + 1395TIP3 H148159 3.073 0.653 2.916 + 1395TIP3 H248160 3.201 0.615 2.843 + 1395TIP3 OH248161 2.943 0.885 1.664 + 1395TIP3 H148162 2.927 0.806 1.717 + 1395TIP3 H248163 2.998 0.853 1.591 + 1395TIP3 OH248164 2.663 0.426 2.397 + 1395TIP3 H148165 2.570 0.403 2.379 + 1395TIP3 H248166 2.707 0.350 2.355 + 1395TIP3 OH248167 1.938 0.823 2.024 + 1395TIP3 H148168 1.983 0.897 1.982 + 1395TIP3 H248169 1.861 0.810 1.966 + 1395TIP3 OH248170 2.135 1.023 2.600 + 1395TIP3 H148171 2.181 1.107 2.587 + 1395TIP3 H248172 2.189 0.979 2.667 + 1395TIP3 OH248173 1.976 1.114 1.931 + 1395TIP3 H148174 1.880 1.118 1.928 + 1395TIP3 H248175 2.001 1.207 1.947 + 1395TIP3 OH248176 2.485 0.629 2.544 + 1395TIP3 H148177 2.448 0.601 2.629 + 1395TIP3 H248178 2.548 0.559 2.524 + 1395TIP3 OH248179 2.678 0.729 1.451 + 1395TIP3 H148180 2.719 0.688 1.529 + 1395TIP3 H248181 2.585 0.714 1.471 + 1395TIP3 OH248182 2.776 1.048 2.784 + 1395TIP3 H148183 2.690 1.002 2.784 + 1395TIP3 H248184 2.759 1.137 2.747 + 1395TIP3 OH248185 3.163 1.155 1.504 + 1395TIP3 H148186 3.231 1.220 1.480 + 1395TIP3 H248187 3.085 1.213 1.506 + 1396TIP3 OH248188 1.551 -0.208 2.764 + 1396TIP3 H148189 1.460 -0.181 2.741 + 1396TIP3 H248190 1.536 -0.293 2.808 + 1396TIP3 OH248191 2.782 0.588 1.684 + 1396TIP3 H148192 2.755 0.516 1.744 + 1396TIP3 H248193 2.878 0.588 1.696 + 1396TIP3 OH248194 1.529 0.969 2.606 + 1396TIP3 H148195 1.554 0.877 2.624 + 1396TIP3 H248196 1.547 1.008 2.692 + 1396TIP3 OH248197 2.450 -0.224 2.620 + 1396TIP3 H148198 2.506 -0.197 2.694 + 1396TIP3 H248199 2.397 -0.296 2.659 + 1396TIP3 OH248200 2.310 0.959 1.646 + 1396TIP3 H148201 2.214 0.977 1.653 + 1396TIP3 H248202 2.331 1.002 1.562 + 1396TIP3 OH248203 2.241 -0.064 1.841 + 1396TIP3 H148204 2.331 -0.033 1.857 + 1396TIP3 H248205 2.213 -0.091 1.931 + 1396TIP3 OH248206 2.296 0.014 2.755 + 1396TIP3 H148207 2.292 0.063 2.838 + 1396TIP3 H248208 2.340 -0.067 2.784 + 1396TIP3 OH248209 2.341 -0.365 1.927 + 1396TIP3 H148210 2.305 -0.297 1.985 + 1396TIP3 H248211 2.413 -0.318 1.883 + 1396TIP3 OH248212 2.027 1.038 1.630 + 1396TIP3 H148213 2.008 1.119 1.580 + 1396TIP3 H248214 1.988 1.057 1.717 + 1396TIP3 OH248215 1.854 -0.278 1.603 + 1396TIP3 H148216 1.879 -0.185 1.612 + 1396TIP3 H248217 1.942 -0.320 1.603 + 1397TIP3 OH248218 2.917 -0.186 2.843 + 1397TIP3 H148219 2.820 -0.173 2.834 + 1397TIP3 H248220 2.935 -0.215 2.753 + 1397TIP3 OH248221 2.770 0.196 2.244 + 1397TIP3 H148222 2.686 0.149 2.222 + 1397TIP3 H248223 2.819 0.128 2.293 + 1397TIP3 OH248224 2.848 1.085 2.394 + 1397TIP3 H148225 2.848 1.164 2.335 + 1397TIP3 H248226 2.944 1.084 2.415 + 1397TIP3 OH248227 1.620 -0.482 2.236 + 1397TIP3 H148228 1.580 -0.528 2.162 + 1397TIP3 H248229 1.604 -0.549 2.306 + 1397TIP3 OH248230 1.461 1.173 3.028 + 1397TIP3 H148231 1.518 1.145 3.101 + 1397TIP3 H248232 1.421 1.088 3.000 + 1397TIP3 OH248233 1.931 1.083 3.203 + 1397TIP3 H148234 1.996 1.017 3.231 + 1397TIP3 H248235 1.906 1.050 3.115 + 1397TIP3 OH248236 2.322 1.004 1.360 + 1397TIP3 H148237 2.249 0.941 1.354 + 1397TIP3 H248238 2.385 0.969 1.295 + 1397TIP3 OH248239 2.588 0.899 3.058 + 1397TIP3 H148240 2.538 0.827 3.102 + 1397TIP3 H248241 2.647 0.928 3.130 + 1397TIP3 OH248242 2.805 0.998 1.383 + 1397TIP3 H148243 2.829 0.916 1.428 + 1397TIP3 H248244 2.873 1.004 1.313 + 1397TIP3 OH248245 1.455 0.537 3.139 + 1397TIP3 H148246 1.464 0.445 3.108 + 1397TIP3 H248247 1.378 0.567 3.087 + 1398TIP3 OH248248 2.131 0.558 3.066 + 1398TIP3 H148249 2.084 0.585 2.986 + 1398TIP3 H248250 2.129 0.460 3.060 + 1398TIP3 OH248251 2.656 0.512 2.807 + 1398TIP3 H148252 2.728 0.576 2.799 + 1398TIP3 H248253 2.577 0.567 2.814 + 1398TIP3 OH248254 1.541 0.250 3.057 + 1398TIP3 H148255 1.615 0.186 3.058 + 1398TIP3 H248256 1.538 0.272 3.152 + 1398TIP3 OH248257 1.908 0.161 2.799 + 1398TIP3 H148258 1.854 0.238 2.824 + 1398TIP3 H248259 1.971 0.201 2.737 + 1398TIP3 OH248260 2.438 0.433 3.150 + 1398TIP3 H148261 2.531 0.412 3.133 + 1398TIP3 H248262 2.409 0.355 3.200 + 1398TIP3 OH248263 3.028 0.433 1.330 + 1398TIP3 H148264 3.013 0.405 1.238 + 1398TIP3 H248265 3.025 0.530 1.317 + 1398TIP3 OH248266 1.969 -0.106 2.914 + 1398TIP3 H148267 1.972 -0.174 2.843 + 1398TIP3 H248268 1.943 -0.027 2.865 + 1398TIP3 OH248269 1.999 -0.261 2.658 + 1398TIP3 H148270 2.050 -0.209 2.593 + 1398TIP3 H248271 1.908 -0.257 2.623 + 1398TIP3 OH248272 2.155 0.285 2.701 + 1398TIP3 H148273 2.237 0.275 2.651 + 1398TIP3 H248274 2.122 0.371 2.669 + 1398TIP3 OH248275 2.614 0.075 3.172 + 1398TIP3 H148276 2.630 -0.016 3.199 + 1398TIP3 H248277 2.703 0.113 3.179 + 1399TIP3 OH248278 2.714 0.356 3.027 + 1399TIP3 H148279 2.675 0.415 2.959 + 1399TIP3 H248280 2.800 0.338 2.986 + 1399TIP3 OH248281 1.786 0.078 3.090 + 1399TIP3 H148282 1.733 -0.003 3.096 + 1399TIP3 H248283 1.869 0.045 3.053 + 1399TIP3 OH248284 2.074 -0.528 2.694 + 1399TIP3 H148285 2.053 -0.433 2.679 + 1399TIP3 H248286 2.003 -0.571 2.643 + 1399TIP3 OH248287 2.199 -0.071 3.073 + 1399TIP3 H148288 2.165 -0.091 3.162 + 1399TIP3 H248289 2.118 -0.091 3.021 + 1399TIP3 OH248290 2.451 -0.169 2.957 + 1399TIP3 H148291 2.364 -0.160 3.001 + 1399TIP3 H248292 2.497 -0.229 3.019 + 1399TIP3 OH248293 2.638 -0.317 3.133 + 1399TIP3 H148294 2.622 -0.412 3.149 + 1399TIP3 H248295 2.618 -0.276 3.219 + 1399TIP3 OH248296 1.655 -0.178 3.078 + 1399TIP3 H148297 1.645 -0.250 3.013 + 1399TIP3 H248298 1.632 -0.224 3.161 + 1399TIP3 OH248299 2.056 -0.579 2.977 + 1399TIP3 H148300 2.115 -0.656 2.983 + 1399TIP3 H248301 2.053 -0.565 2.881 + 1399TIP3 OH248302 2.151 -0.392 3.161 + 1399TIP3 H148303 2.118 -0.452 3.091 + 1399TIP3 H248304 2.081 -0.325 3.166 + 1399TIP3 OH248305 2.055 1.299 1.504 + 1399TIP3 H148306 2.151 1.304 1.518 + 1399TIP3 H248307 2.045 1.360 1.430 + 1400TIP3 OH248308 1.328 1.269 1.936 + 1400TIP3 H148309 1.268 1.220 1.876 + 1400TIP3 H248310 1.354 1.198 1.998 + 1400TIP3 OH248311 1.397 1.070 2.126 + 1400TIP3 H148312 1.362 0.983 2.152 + 1400TIP3 H248313 1.423 1.104 2.213 + 1400TIP3 OH248314 3.140 1.194 2.439 + 1400TIP3 H148315 3.158 1.196 2.534 + 1400TIP3 H248316 3.222 1.231 2.403 + 1400TIP3 OH248317 3.130 1.143 2.722 + 1400TIP3 H148318 3.082 1.065 2.689 + 1400TIP3 H248319 3.185 1.101 2.791 + 1400TIP3 OH248320 2.930 0.686 3.152 + 1400TIP3 H148321 2.842 0.691 3.194 + 1400TIP3 H248322 2.975 0.765 3.187 + 1400TIP3 OH248323 3.071 0.572 1.731 + 1400TIP3 H148324 3.160 0.609 1.746 + 1400TIP3 H248325 3.063 0.512 1.807 + 1400TIP3 OH248326 3.139 0.376 1.951 + 1400TIP3 H148327 3.064 0.319 1.978 + 1400TIP3 H248328 3.198 0.375 2.027 + 1400TIP3 OH248329 3.092 0.621 2.420 + 1400TIP3 H148330 3.152 0.582 2.355 + 1400TIP3 H248331 3.103 0.716 2.401 + 1400TIP3 OH248332 2.966 0.911 2.641 + 1400TIP3 H148333 2.898 0.954 2.697 + 1400TIP3 H248334 2.912 0.870 2.571 + 1400TIP3 OH248335 3.131 0.316 1.583 + 1400TIP3 H148336 3.090 0.350 1.501 + 1400TIP3 H248337 3.130 0.396 1.638 + 1401TIP3 OH248338 2.941 0.181 2.022 + 1401TIP3 H148339 2.912 0.097 1.981 + 1401TIP3 H248340 2.873 0.194 2.091 + 1401TIP3 OH248341 1.396 0.404 2.372 + 1401TIP3 H148342 1.418 0.413 2.277 + 1401TIP3 H248343 1.485 0.383 2.409 + 1401TIP3 OH248344 2.975 0.377 2.909 + 1401TIP3 H148345 3.043 0.314 2.940 + 1401TIP3 H248346 3.022 0.461 2.910 + 1401TIP3 OH248347 3.127 0.191 3.039 + 1401TIP3 H148348 3.048 0.135 3.019 + 1401TIP3 H248349 3.197 0.123 3.039 + 1401TIP3 OH248350 2.889 -0.056 1.833 + 1401TIP3 H148351 2.900 -0.153 1.832 + 1401TIP3 H248352 2.962 -0.029 1.775 + 1401TIP3 OH248353 2.968 0.027 2.364 + 1401TIP3 H148354 3.048 0.002 2.412 + 1401TIP3 H248355 2.905 0.007 2.436 + 1401TIP3 OH248356 2.937 0.063 2.646 + 1401TIP3 H148357 2.850 0.092 2.678 + 1401TIP3 H248358 2.980 0.148 2.628 + 1401TIP3 OH248359 1.387 -0.058 3.016 + 1401TIP3 H148360 1.480 -0.084 3.022 + 1401TIP3 H248361 1.342 -0.144 3.024 + 1401TIP3 OH248362 3.190 -0.518 3.176 + 1401TIP3 H148363 3.234 -0.587 3.125 + 1401TIP3 H248364 3.197 -0.440 3.118 + 1401TIP3 OH248365 2.919 -0.343 1.828 + 1401TIP3 H148366 2.924 -0.393 1.911 + 1401TIP3 H248367 2.853 -0.396 1.780 + 1402TIP3 OH248368 1.466 -0.228 2.295 + 1402TIP3 H148369 1.510 -0.314 2.302 + 1402TIP3 H248370 1.532 -0.168 2.334 + 1402TIP3 OH248371 1.324 0.040 2.404 + 1402TIP3 H148372 1.371 0.044 2.319 + 1402TIP3 H248373 1.354 0.122 2.446 + 1402TIP3 OH248374 3.133 -0.311 3.000 + 1402TIP3 H148375 3.044 -0.273 3.013 + 1402TIP3 H248376 3.115 -0.369 2.923 + 1402TIP3 OH248377 3.133 -0.283 1.482 + 1402TIP3 H148378 3.147 -0.369 1.439 + 1402TIP3 H248379 3.224 -0.251 1.494 + 1402TIP3 OH248380 1.394 -0.315 1.796 + 1402TIP3 H148381 1.297 -0.327 1.800 + 1402TIP3 H248382 1.400 -0.256 1.720 + 1402TIP3 OH248383 2.832 1.197 2.021 + 1402TIP3 H148384 2.875 1.180 1.935 + 1402TIP3 H248385 2.900 1.246 2.068 + 1402TIP3 OH248386 1.372 -0.434 2.622 + 1402TIP3 H148387 1.301 -0.462 2.682 + 1402TIP3 H248388 1.321 -0.383 2.556 + 1402TIP3 OH248389 1.570 0.879 3.089 + 1402TIP3 H148390 1.496 0.873 3.027 + 1402TIP3 H248391 1.527 0.868 3.175 + 1402TIP3 OH248392 1.855 0.973 2.657 + 1402TIP3 H148393 1.821 1.057 2.623 + 1402TIP3 H248394 1.950 0.982 2.637 + 1402TIP3 OH248395 2.308 1.100 2.958 + 1402TIP3 H148396 2.312 1.086 3.054 + 1402TIP3 H248397 2.391 1.148 2.941 + 1403TIP3 OH248398 2.543 1.237 2.869 + 1403TIP3 H148399 2.608 1.168 2.885 + 1403TIP3 H248400 2.557 1.290 2.950 + 1403TIP3 OH248401 3.020 -0.489 2.798 + 1403TIP3 H148402 2.935 -0.475 2.753 + 1403TIP3 H248403 3.040 -0.581 2.770 + 1403TIP3 OH248404 1.594 1.270 2.691 + 1403TIP3 H148405 1.533 1.331 2.646 + 1403TIP3 H248406 1.557 1.271 2.780 + 1403TIP3 OH248407 1.844 1.247 2.548 + 1403TIP3 H148408 1.757 1.263 2.589 + 1403TIP3 H248409 1.844 1.314 2.477 + 1403TIP3 OH248410 2.366 1.229 2.499 + 1403TIP3 H148411 2.305 1.268 2.433 + 1403TIP3 H248412 2.359 1.297 2.569 + 1403TIP3 OH248413 2.765 1.270 2.595 + 1403TIP3 H148414 2.762 1.367 2.599 + 1403TIP3 H248415 2.826 1.259 2.521 + 1403TIP3 OH248416 1.552 1.150 2.387 + 1403TIP3 H148417 1.549 1.098 2.470 + 1403TIP3 H248418 1.624 1.104 2.339 + 1403TIP3 OH248419 1.748 1.022 2.231 + 1403TIP3 H148420 1.736 0.927 2.250 + 1403TIP3 H248421 1.841 1.036 2.255 + 1403TIP3 OH248422 2.039 1.073 2.317 + 1403TIP3 H148423 2.043 0.980 2.290 + 1403TIP3 H248424 2.030 1.063 2.413 + 1403TIP3 OH248425 2.362 -0.342 2.245 + 1403TIP3 H148426 2.292 -0.409 2.261 + 1403TIP3 H248427 2.415 -0.386 2.178 + 1404TIP3 OH248428 2.856 -0.535 2.292 + 1404TIP3 H148429 2.930 -0.493 2.244 + 1404TIP3 H248430 2.779 -0.510 2.239 + 1404TIP3 OH248431 3.074 -0.425 2.092 + 1404TIP3 H148432 3.126 -0.461 2.019 + 1404TIP3 H248433 3.089 -0.329 2.083 + 1404TIP3 OH248434 2.040 -0.485 1.997 + 1404TIP3 H148435 2.129 -0.463 1.968 + 1404TIP3 H248436 2.052 -0.504 2.090 + 1404TIP3 OH248437 2.615 -0.491 2.134 + 1404TIP3 H148438 2.614 -0.497 2.037 + 1404TIP3 H248439 2.561 -0.569 2.159 + 1404TIP3 OH248440 2.133 -0.318 1.692 + 1404TIP3 H148441 2.194 -0.381 1.732 + 1404TIP3 H248442 2.185 -0.237 1.695 + 1404TIP3 OH248443 2.355 1.243 1.508 + 1404TIP3 H148444 2.452 1.245 1.504 + 1404TIP3 H248445 2.336 1.177 1.438 + 1404TIP3 OH248446 3.013 1.162 1.778 + 1404TIP3 H148447 2.988 1.078 1.734 + 1404TIP3 H248448 3.007 1.224 1.704 + 1404TIP3 OH248449 1.576 -0.445 2.958 + 1404TIP3 H148450 1.534 -0.526 2.992 + 1404TIP3 H248451 1.668 -0.459 2.985 + 1404TIP3 OH248452 1.813 -0.508 3.130 + 1404TIP3 H148453 1.895 -0.544 3.090 + 1404TIP3 H248454 1.778 -0.587 3.173 + 1404TIP3 OH248455 1.667 1.215 1.408 + 1404TIP3 H148456 1.596 1.223 1.474 + 1404TIP3 H248457 1.680 1.119 1.406 + 1405TIP3 OH248458 2.626 -0.598 3.146 + 1405TIP3 H148459 2.627 -0.639 3.234 + 1405TIP3 H248460 2.720 -0.600 3.122 + 1405TIP3 OH248461 2.966 1.039 3.011 + 1405TIP3 H148462 2.888 1.016 2.957 + 1405TIP3 H248463 2.945 1.130 3.037 + 1405TIP3 OH248464 4.207 0.326 2.341 + 1405TIP3 H148465 4.286 0.336 2.396 + 1405TIP3 H248466 4.244 0.304 2.255 + 1405TIP3 OH248467 3.505 0.314 2.505 + 1405TIP3 H148468 3.507 0.236 2.563 + 1405TIP3 H248469 3.582 0.363 2.539 + 1405TIP3 OH248470 3.581 0.767 2.347 + 1405TIP3 H148471 3.557 0.676 2.323 + 1405TIP3 H248472 3.672 0.754 2.379 + 1405TIP3 OH248473 3.258 0.117 1.911 + 1405TIP3 H148474 3.232 0.204 1.877 + 1405TIP3 H248475 3.211 0.058 1.850 + 1405TIP3 OH248476 4.121 0.603 2.401 + 1405TIP3 H148477 4.143 0.522 2.350 + 1405TIP3 H248478 4.202 0.616 2.450 + 1405TIP3 OH248479 3.743 -0.166 2.160 + 1405TIP3 H148480 3.759 -0.081 2.115 + 1405TIP3 H248481 3.711 -0.219 2.085 + 1405TIP3 OH248482 3.947 0.241 2.153 + 1405TIP3 H148483 4.024 0.191 2.185 + 1405TIP3 H248484 3.900 0.171 2.103 + 1405TIP3 OH248485 3.623 -0.265 2.549 + 1405TIP3 H148486 3.588 -0.200 2.486 + 1405TIP3 H248487 3.557 -0.259 2.621 + 1406TIP3 OH248488 3.915 0.497 2.581 + 1406TIP3 H148489 3.842 0.557 2.607 + 1406TIP3 H248490 3.981 0.558 2.545 + 1406TIP3 OH248491 3.555 -0.053 2.349 + 1406TIP3 H148492 3.621 0.001 2.397 + 1406TIP3 H248493 3.610 -0.084 2.274 + 1406TIP3 OH248494 3.713 0.688 2.648 + 1406TIP3 H148495 3.713 0.783 2.625 + 1406TIP3 H248496 3.629 0.681 2.697 + 1406TIP3 OH248497 3.341 0.660 1.743 + 1406TIP3 H148498 3.329 0.707 1.659 + 1406TIP3 H248499 3.362 0.732 1.806 + 1406TIP3 OH248500 4.043 -0.539 2.280 + 1406TIP3 H148501 4.018 -0.633 2.282 + 1406TIP3 H248502 3.964 -0.498 2.320 + 1406TIP3 OH248503 4.269 0.344 1.746 + 1406TIP3 H148504 4.200 0.410 1.730 + 1406TIP3 H248505 4.331 0.364 1.676 + 1406TIP3 OH248506 4.289 0.189 1.466 + 1406TIP3 H148507 4.372 0.186 1.517 + 1406TIP3 H248508 4.296 0.111 1.409 + 1406TIP3 OH248509 3.763 0.435 2.040 + 1406TIP3 H148510 3.728 0.390 1.961 + 1406TIP3 H248511 3.825 0.368 2.075 + 1406TIP3 OH248512 3.900 0.780 2.313 + 1406TIP3 H148513 3.889 0.733 2.229 + 1406TIP3 H248514 3.976 0.732 2.352 + 1406TIP3 OH248515 3.807 0.323 2.387 + 1406TIP3 H148516 3.870 0.312 2.313 + 1406TIP3 H248517 3.857 0.379 2.449 + 1407TIP3 OH248518 3.905 0.752 2.871 + 1407TIP3 H148519 3.852 0.815 2.923 + 1407TIP3 H248520 3.839 0.722 2.805 + 1407TIP3 OH248521 3.594 0.391 2.784 + 1407TIP3 H148522 3.599 0.444 2.865 + 1407TIP3 H248523 3.499 0.372 2.778 + 1407TIP3 OH248524 4.208 0.982 1.986 + 1407TIP3 H148525 4.300 0.992 2.016 + 1407TIP3 H248526 4.211 1.015 1.894 + 1407TIP3 OH248527 3.710 0.966 2.956 + 1407TIP3 H148528 3.699 0.967 2.859 + 1407TIP3 H248529 3.623 0.939 2.989 + 1407TIP3 OH248530 3.651 0.309 1.794 + 1407TIP3 H148531 3.632 0.385 1.736 + 1407TIP3 H248532 3.587 0.244 1.763 + 1407TIP3 OH248533 3.259 0.574 2.662 + 1407TIP3 H148534 3.202 0.572 2.583 + 1407TIP3 H248535 3.270 0.480 2.685 + 1407TIP3 OH248536 3.260 0.864 2.363 + 1407TIP3 H148537 3.354 0.841 2.366 + 1407TIP3 H248538 3.255 0.930 2.434 + 1407TIP3 OH248539 4.171 0.855 2.818 + 1407TIP3 H148540 4.179 0.939 2.865 + 1407TIP3 H248541 4.082 0.822 2.844 + 1407TIP3 OH248542 4.196 1.234 1.833 + 1407TIP3 H148543 4.198 1.219 1.737 + 1407TIP3 H248544 4.209 1.329 1.840 + 1407TIP3 OH248545 3.577 1.145 1.976 + 1407TIP3 H148546 3.588 1.101 2.062 + 1407TIP3 H248547 3.492 1.109 1.946 + 1408TIP3 OH248548 3.475 0.731 2.791 + 1408TIP3 H148549 3.503 0.685 2.874 + 1408TIP3 H248550 3.404 0.673 2.757 + 1408TIP3 OH248551 3.795 -0.425 2.369 + 1408TIP3 H148552 3.715 -0.432 2.315 + 1408TIP3 H248553 3.772 -0.347 2.422 + 1408TIP3 OH248554 4.234 -0.488 2.793 + 1408TIP3 H148555 4.247 -0.558 2.860 + 1408TIP3 H248556 4.143 -0.508 2.763 + 1408TIP3 OH248557 4.233 -0.208 1.471 + 1408TIP3 H148558 4.167 -0.227 1.539 + 1408TIP3 H248559 4.206 -0.271 1.402 + 1408TIP3 OH248560 3.764 0.050 2.503 + 1408TIP3 H148561 3.720 0.062 2.589 + 1408TIP3 H248562 3.782 0.141 2.475 + 1408TIP3 OH248563 3.774 0.062 1.999 + 1408TIP3 H148564 3.678 0.050 1.988 + 1408TIP3 H248565 3.805 0.044 1.908 + 1408TIP3 OH248566 4.270 0.099 1.934 + 1408TIP3 H148567 4.280 0.194 1.913 + 1408TIP3 H248568 4.360 0.066 1.947 + 1408TIP3 OH248569 4.250 0.146 3.031 + 1408TIP3 H148570 4.194 0.065 3.045 + 1408TIP3 H248571 4.337 0.102 3.029 + 1408TIP3 OH248572 3.509 0.074 2.694 + 1408TIP3 H148573 3.547 0.102 2.778 + 1408TIP3 H248574 3.483 -0.018 2.715 + 1408TIP3 OH248575 3.862 -0.164 1.353 + 1408TIP3 H148576 3.820 -0.206 1.430 + 1408TIP3 H248577 3.788 -0.150 1.293 + 1409TIP3 OH248578 3.205 -0.159 2.065 + 1409TIP3 H148579 3.264 -0.193 2.135 + 1409TIP3 H248580 3.233 -0.210 1.986 + 1409TIP3 OH248581 3.351 -0.140 1.628 + 1409TIP3 H148582 3.408 -0.094 1.563 + 1409TIP3 H248583 3.281 -0.074 1.641 + 1409TIP3 OH248584 4.345 0.201 2.632 + 1409TIP3 H148585 4.378 0.136 2.568 + 1409TIP3 H248586 4.274 0.149 2.673 + 1409TIP3 OH248587 4.047 -0.198 2.101 + 1409TIP3 H148588 3.954 -0.189 2.127 + 1409TIP3 H248589 4.091 -0.180 2.186 + 1409TIP3 OH248590 3.513 -0.047 1.991 + 1409TIP3 H148591 3.428 -0.023 1.949 + 1409TIP3 H248592 3.540 -0.127 1.943 + 1409TIP3 OH248593 3.869 -0.023 1.734 + 1409TIP3 H148594 3.965 -0.012 1.741 + 1409TIP3 H248595 3.844 0.038 1.662 + 1409TIP3 OH248596 3.722 0.104 1.513 + 1409TIP3 H148597 3.662 0.076 1.442 + 1409TIP3 H248598 3.803 0.120 1.462 + 1409TIP3 OH248599 3.582 0.578 3.010 + 1409TIP3 H148600 3.650 0.586 3.081 + 1409TIP3 H248601 3.502 0.574 3.065 + 1409TIP3 OH248602 4.140 0.042 2.243 + 1409TIP3 H148603 4.216 0.007 2.197 + 1409TIP3 H248604 4.163 0.026 2.336 + 1409TIP3 OH248605 3.673 -0.275 1.908 + 1409TIP3 H148606 3.621 -0.357 1.915 + 1409TIP3 H248607 3.752 -0.305 1.860 + 1410TIP3 OH248608 4.050 -0.089 2.511 + 1410TIP3 H148609 3.979 -0.024 2.497 + 1410TIP3 H248610 4.102 -0.048 2.584 + 1410TIP3 OH248611 4.071 0.550 1.700 + 1410TIP3 H148612 3.994 0.501 1.663 + 1410TIP3 H248613 4.048 0.555 1.796 + 1410TIP3 OH248614 4.198 0.547 2.821 + 1410TIP3 H148615 4.188 0.535 2.916 + 1410TIP3 H248616 4.214 0.642 2.812 + 1410TIP3 OH248617 3.557 0.485 2.261 + 1410TIP3 H148618 3.625 0.485 2.191 + 1410TIP3 H248619 3.589 0.414 2.318 + 1410TIP3 OH248620 4.287 0.689 1.600 + 1410TIP3 H148621 4.260 0.778 1.629 + 1410TIP3 H248622 4.210 0.636 1.629 + 1410TIP3 OH248623 3.297 0.326 2.802 + 1410TIP3 H148624 3.322 0.290 2.890 + 1410TIP3 H248625 3.243 0.254 2.766 + 1410TIP3 OH248626 4.002 0.280 3.003 + 1410TIP3 H148627 3.972 0.249 2.916 + 1410TIP3 H248628 4.095 0.252 3.001 + 1410TIP3 OH248629 3.813 0.828 2.003 + 1410TIP3 H148630 3.857 0.914 1.991 + 1410TIP3 H248631 3.722 0.848 1.979 + 1410TIP3 OH248632 3.415 0.308 1.471 + 1410TIP3 H148633 3.477 0.375 1.505 + 1410TIP3 H248634 3.329 0.347 1.492 + 1410TIP3 OH248635 3.997 0.600 1.967 + 1410TIP3 H148636 3.963 0.689 1.981 + 1410TIP3 H248637 3.927 0.546 2.008 + 1411TIP3 OH248638 4.018 1.027 2.608 + 1411TIP3 H148639 4.075 1.097 2.571 + 1411TIP3 H248640 4.083 0.974 2.657 + 1411TIP3 OH248641 3.868 1.124 1.937 + 1411TIP3 H148642 3.771 1.128 1.938 + 1411TIP3 H248643 3.891 1.218 1.955 + 1411TIP3 OH248644 3.440 -0.207 2.759 + 1411TIP3 H148645 3.347 -0.185 2.742 + 1411TIP3 H248646 3.431 -0.292 2.807 + 1411TIP3 OH248647 3.414 0.967 2.605 + 1411TIP3 H148648 3.443 0.877 2.627 + 1411TIP3 H248649 3.431 1.011 2.690 + 1411TIP3 OH248650 3.995 0.840 1.311 + 1411TIP3 H148651 4.028 0.765 1.256 + 1411TIP3 H248652 3.955 0.791 1.385 + 1411TIP3 OH248653 3.885 0.781 1.585 + 1411TIP3 H148654 3.934 0.729 1.650 + 1411TIP3 H248655 3.898 0.873 1.616 + 1411TIP3 OH248656 3.565 0.530 1.619 + 1411TIP3 H148657 3.494 0.570 1.672 + 1411TIP3 H248658 3.614 0.609 1.589 + 1411TIP3 OH248659 4.335 -0.181 2.677 + 1411TIP3 H148660 4.391 -0.257 2.695 + 1411TIP3 H248661 4.273 -0.218 2.613 + 1411TIP3 OH248662 4.174 0.961 1.650 + 1411TIP3 H148663 4.084 0.999 1.650 + 1411TIP3 H248664 4.210 0.997 1.568 + 1411TIP3 OH248665 4.127 -0.101 1.838 + 1411TIP3 H148666 4.187 -0.026 1.862 + 1411TIP3 H248667 4.094 -0.120 1.928 + 1412TIP3 OH248668 4.168 0.012 2.760 + 1412TIP3 H148669 4.185 0.055 2.844 + 1412TIP3 H248670 4.233 -0.061 2.758 + 1412TIP3 OH248671 4.193 -0.384 1.958 + 1412TIP3 H148672 4.165 -0.306 2.012 + 1412TIP3 H248673 4.272 -0.349 1.913 + 1412TIP3 OH248674 3.899 1.054 1.642 + 1412TIP3 H148675 3.891 1.132 1.583 + 1412TIP3 H248676 3.882 1.094 1.729 + 1412TIP3 OH248677 3.767 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OH248704 3.763 0.580 1.343 + 1413TIP3 H148705 3.781 0.518 1.416 + 1413TIP3 H248706 3.847 0.575 1.293 + 1413TIP3 OH248707 4.007 0.557 3.073 + 1413TIP3 H148708 3.980 0.588 2.985 + 1413TIP3 H248709 4.016 0.460 3.060 + 1413TIP3 OH248710 4.260 0.711 1.298 + 1413TIP3 H148711 4.280 0.720 1.393 + 1413TIP3 H248712 4.245 0.616 1.290 + 1413TIP3 OH248713 3.427 0.254 3.054 + 1413TIP3 H148714 3.498 0.186 3.053 + 1413TIP3 H248715 3.421 0.271 3.149 + 1413TIP3 OH248716 3.872 0.385 1.575 + 1413TIP3 H148717 3.810 0.333 1.629 + 1413TIP3 H248718 3.904 0.317 1.512 + 1413TIP3 OH248719 3.793 0.162 2.789 + 1413TIP3 H148720 3.744 0.239 2.822 + 1413TIP3 H248721 3.859 0.204 2.731 + 1413TIP3 OH248722 3.978 0.188 1.405 + 1413TIP3 H148723 3.968 0.191 1.308 + 1413TIP3 H248724 4.075 0.197 1.414 + 1413TIP3 OH248725 4.285 0.412 3.171 + 1413TIP3 H148726 4.354 0.379 3.113 + 1413TIP3 H248727 4.267 0.332 3.223 + 1414TIP3 OH248728 3.856 -0.106 2.917 + 1414TIP3 H148729 3.862 -0.174 2.847 + 1414TIP3 H248730 3.837 -0.026 2.865 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3.696 -0.510 3.128 + 1417TIP3 H148837 3.779 -0.546 3.091 + 1417TIP3 H248838 3.664 -0.587 3.177 + 1417TIP3 OH248839 3.522 1.168 1.388 + 1417TIP3 H148840 3.500 1.198 1.477 + 1417TIP3 H248841 3.600 1.113 1.402 + 1417TIP3 OH248842 -3.163 2.292 2.034 + 1417TIP3 H148843 -3.161 2.389 2.033 + 1417TIP3 H248844 -3.235 2.274 1.972 + 1417TIP3 OH248845 -3.283 2.238 2.344 + 1417TIP3 H148846 -3.280 2.171 2.415 + 1417TIP3 H248847 -3.301 2.182 2.267 + 1418TIP3 OH248848 -4.035 2.203 2.511 + 1418TIP3 H148849 -4.027 2.125 2.567 + 1418TIP3 H248850 -3.954 2.252 2.531 + 1418TIP3 OH248851 -2.911 2.512 2.170 + 1418TIP3 H148852 -2.941 2.434 2.220 + 1418TIP3 H248853 -2.874 2.566 2.240 + 1418TIP3 OH248854 -3.957 2.657 2.350 + 1418TIP3 H148855 -3.987 2.567 2.327 + 1418TIP3 H248856 -3.865 2.638 2.374 + 1418TIP3 OH248857 -4.207 1.979 1.817 + 1418TIP3 H148858 -4.168 2.023 1.894 + 1418TIP3 H248859 -4.218 1.888 1.848 + 1418TIP3 OH248860 -4.208 2.222 2.100 + 1418TIP3 H148861 -4.164 2.145 2.141 + 1418TIP3 H248862 -4.136 2.258 2.047 + 1418TIP3 OH248863 -3.209 3.039 2.218 + 1418TIP3 H148864 -3.141 2.973 2.197 + 1418TIP3 H248865 -3.226 3.026 2.312 + 1418TIP3 OH248866 -3.380 2.501 2.410 + 1418TIP3 H148867 -3.381 2.440 2.333 + 1418TIP3 H248868 -3.354 2.437 2.477 + 1418TIP3 OH248869 -2.562 1.639 2.457 + 1418TIP3 H148870 -2.535 1.698 2.529 + 1418TIP3 H248871 -2.498 1.666 2.387 + 1418TIP3 OH248872 -3.099 1.919 2.443 + 1418TIP3 H148873 -3.080 1.824 2.451 + 1418TIP3 H248874 -3.106 1.929 2.347 + 1418TIP3 OH248875 -3.788 1.710 2.166 + 1418TIP3 H148876 -3.829 1.798 2.162 + 1418TIP3 H248877 -3.829 1.668 2.087 + 1419TIP3 OH248878 -3.014 1.739 1.986 + 1419TIP3 H148879 -2.956 1.696 2.052 + 1419TIP3 H248880 -2.948 1.781 1.929 + 1419TIP3 OH248881 -3.611 2.109 2.131 + 1419TIP3 H148882 -3.547 2.053 2.178 + 1419TIP3 H248883 -3.679 2.045 2.105 + 1419TIP3 OH248884 -2.487 1.773 2.705 + 1419TIP3 H148885 -2.547 1.845 2.678 + 1419TIP3 H248886 -2.502 1.774 2.801 + 1419TIP3 OH248887 -3.898 1.656 2.579 + 1419TIP3 H148888 -3.926 1.676 2.489 + 1419TIP3 H248889 -3.984 1.637 2.622 + 1419TIP3 OH248890 -3.174 2.573 1.912 + 1419TIP3 H148891 -3.199 2.547 1.823 + 1419TIP3 H248892 -3.218 2.660 1.923 + 1419TIP3 OH248893 -3.621 2.394 2.575 + 1419TIP3 H148894 -3.701 2.439 2.609 + 1419TIP3 H248895 -3.569 2.469 2.545 + 1419TIP3 OH248896 -2.832 1.662 2.187 + 1419TIP3 H148897 -2.869 1.600 2.252 + 1419TIP3 H248898 -2.778 1.719 2.244 + 1419TIP3 OH248899 -3.827 2.572 2.654 + 1419TIP3 H148900 -3.831 2.665 2.623 + 1419TIP3 H248901 -3.916 2.566 2.694 + 1419TIP3 OH248902 -4.181 2.539 1.743 + 1419TIP3 H148903 -4.264 2.554 1.692 + 1419TIP3 H248904 -4.193 2.598 1.819 + 1419TIP3 OH248905 -2.888 2.697 2.428 + 1419TIP3 H148906 -2.951 2.769 2.416 + 1419TIP3 H248907 -2.812 2.740 2.385 + 1420TIP3 OH248908 -2.819 1.576 2.571 + 1420TIP3 H148909 -2.895 1.615 2.525 + 1420TIP3 H248910 -2.746 1.595 2.510 + 1420TIP3 OH248911 -3.506 1.349 2.278 + 1420TIP3 H148912 -3.526 1.254 2.270 + 1420TIP3 H248913 -3.590 1.383 2.315 + 1420TIP3 OH248914 -3.017 2.879 2.091 + 1420TIP3 H148915 -2.976 2.802 2.046 + 1420TIP3 H248916 -2.956 2.950 2.064 + 1420TIP3 OH248917 -2.883 2.675 1.939 + 1420TIP3 H148918 -2.919 2.623 1.865 + 1420TIP3 H248919 -2.883 2.608 2.010 + 1420TIP3 OH248920 -2.738 2.556 2.784 + 1420TIP3 H148921 -2.730 2.485 2.717 + 1420TIP3 H248922 -2.703 2.633 2.737 + 1420TIP3 OH248923 -3.293 2.247 1.759 + 1420TIP3 H148924 -3.362 2.299 1.714 + 1420TIP3 H248925 -3.223 2.245 1.691 + 1420TIP3 OH248926 -3.267 2.062 1.463 + 1420TIP3 H148927 -3.195 2.093 1.521 + 1420TIP3 H248928 -3.218 2.003 1.403 + 1420TIP3 OH248929 -2.546 2.167 2.580 + 1420TIP3 H148930 -2.617 2.234 2.590 + 1420TIP3 H248931 -2.497 2.202 2.503 + 1420TIP3 OH248932 -2.945 2.243 1.864 + 1420TIP3 H148933 -3.013 2.261 1.933 + 1420TIP3 H248934 -2.883 2.186 1.914 + 1420TIP3 OH248935 -2.961 2.093 2.745 + 1420TIP3 H148936 -2.955 2.169 2.804 + 1420TIP3 H248937 -3.023 2.129 2.680 + 1421TIP3 OH248938 -3.774 2.324 2.037 + 1421TIP3 H148939 -3.819 2.282 1.960 + 1421TIP3 H248940 -3.723 2.248 2.071 + 1421TIP3 OH248941 -3.642 2.658 2.315 + 1421TIP3 H148942 -3.660 2.619 2.228 + 1421TIP3 H248943 -3.560 2.615 2.342 + 1421TIP3 OH248944 -3.712 2.191 2.395 + 1421TIP3 H148945 -3.667 2.207 2.311 + 1421TIP3 H248946 -3.682 2.265 2.451 + 1421TIP3 OH248947 -3.641 2.634 2.869 + 1421TIP3 H148948 -3.692 2.697 2.923 + 1421TIP3 H248949 -3.709 2.607 2.804 + 1421TIP3 OH248950 -3.050 2.190 1.609 + 1421TIP3 H148951 -3.001 2.214 1.690 + 1421TIP3 H248952 -3.000 2.239 1.540 + 1421TIP3 OH248953 -3.951 2.257 2.796 + 1421TIP3 H148954 -3.943 2.322 2.868 + 1421TIP3 H248955 -4.044 2.266 2.772 + 1421TIP3 OH248956 -3.294 2.848 1.964 + 1421TIP3 H148957 -3.247 2.879 2.043 + 1421TIP3 H248958 -3.361 2.916 1.951 + 1421TIP3 OH248959 -3.835 2.844 2.957 + 1421TIP3 H148960 -3.846 2.851 2.860 + 1421TIP3 H248961 -3.927 2.831 2.987 + 1421TIP3 OH248962 -2.707 1.363 1.555 + 1421TIP3 H148963 -2.792 1.372 1.602 + 1421TIP3 H248964 -2.670 1.452 1.563 + 1421TIP3 OH248965 -3.885 2.195 1.797 + 1421TIP3 H148966 -3.919 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1.954 2.979 + 1422TIP3 H148993 -2.815 1.987 2.905 + 1422TIP3 H248994 -2.759 1.858 2.960 + 1422TIP3 OH248995 -4.069 2.614 2.789 + 1422TIP3 H148996 -4.045 2.562 2.868 + 1422TIP3 H248997 -4.150 2.569 2.757 + 1423TIP3 OH248998 -3.753 1.457 2.376 + 1423TIP3 H148999 -3.832 1.453 2.320 + 1423TIP3 H249000 -3.756 1.549 2.406 + 1423TIP3 OH249001 -3.311 1.420 2.730 + 1423TIP3 H149002 -3.260 1.368 2.794 + 1423TIP3 H249003 -3.403 1.394 2.748 + 1423TIP3 OH249004 -3.000 1.799 2.780 + 1423TIP3 H149005 -3.053 1.784 2.861 + 1423TIP3 H249006 -3.000 1.895 2.771 + 1423TIP3 OH249007 -2.894 2.298 1.411 + 1423TIP3 H149008 -2.915 2.278 1.317 + 1423TIP3 H249009 -2.799 2.318 1.403 + 1423TIP3 OH249010 -3.330 1.672 1.460 + 1423TIP3 H149011 -3.379 1.658 1.542 + 1423TIP3 H249012 -3.371 1.605 1.403 + 1423TIP3 OH249013 -3.783 1.927 2.509 + 1423TIP3 H149014 -3.873 1.949 2.538 + 1423TIP3 H249015 -3.771 1.995 2.439 + 1423TIP3 OH249016 -3.208 2.007 1.877 + 1423TIP3 H149017 -3.249 2.088 1.840 + 1423TIP3 H249018 -3.139 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2.364 2.570 + 1425TIP3 H149071 -2.705 2.416 2.502 + 1425TIP3 H249072 -2.841 2.353 2.529 + 1425TIP3 OH249073 -3.062 1.729 1.475 + 1425TIP3 H149074 -3.160 1.728 1.470 + 1425TIP3 H249075 -3.043 1.803 1.536 + 1425TIP3 OH249076 -3.316 2.456 2.808 + 1425TIP3 H149077 -3.337 2.408 2.889 + 1425TIP3 H249078 -3.348 2.545 2.829 + 1425TIP3 OH249079 -2.994 1.914 1.680 + 1425TIP3 H149080 -2.906 1.896 1.718 + 1425TIP3 H249081 -2.981 2.000 1.636 + 1425TIP3 OH249082 -3.961 2.381 2.275 + 1425TIP3 H149083 -3.909 2.368 2.194 + 1425TIP3 H249084 -3.970 2.290 2.307 + 1425TIP3 OH249085 -3.239 2.584 1.588 + 1425TIP3 H149086 -3.263 2.667 1.633 + 1425TIP3 H249087 -3.311 2.525 1.615 + 1426TIP3 OH249088 -4.245 2.228 2.827 + 1426TIP3 H149089 -4.237 2.168 2.902 + 1426TIP3 H249090 -4.290 2.172 2.760 + 1426TIP3 OH249091 -3.544 2.161 2.999 + 1426TIP3 H149092 -3.568 2.142 2.907 + 1426TIP3 H249093 -3.450 2.134 2.998 + 1426TIP3 OH249094 -3.107 2.705 2.761 + 1426TIP3 H149095 -3.197 2.725 2.792 + 1426TIP3 H249096 -3.058 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3.014 1.935 + 1427TIP3 H249123 -3.649 3.098 1.951 + 1427TIP3 OH249124 -2.968 2.619 1.453 + 1427TIP3 H149125 -2.926 2.571 1.526 + 1427TIP3 H249126 -3.061 2.600 1.474 + 1427TIP3 OH249127 -2.892 2.938 2.792 + 1427TIP3 H149128 -2.972 2.903 2.749 + 1427TIP3 H249129 -2.878 3.023 2.745 + 1427TIP3 OH249130 -2.505 3.049 1.514 + 1427TIP3 H149131 -2.432 3.106 1.485 + 1427TIP3 H249132 -2.579 3.111 1.499 + 1427TIP3 OH249133 -4.105 1.676 2.764 + 1427TIP3 H149134 -4.188 1.723 2.781 + 1427TIP3 H249135 -4.118 1.592 2.812 + 1427TIP3 OH249136 -2.872 2.481 1.696 + 1427TIP3 H149137 -2.898 2.403 1.748 + 1427TIP3 H249138 -2.775 2.473 1.696 + 1427TIP3 OH249139 -4.123 2.857 2.610 + 1427TIP3 H149140 -4.111 2.762 2.623 + 1427TIP3 H249141 -4.099 2.891 2.697 + 1427TIP3 OH249142 -3.543 2.722 1.311 + 1427TIP3 H149143 -3.515 2.644 1.258 + 1427TIP3 H249144 -3.589 2.678 1.384 + 1427TIP3 OH249145 -3.661 2.673 1.578 + 1427TIP3 H149146 -3.614 2.616 1.641 + 1427TIP3 H249147 -3.648 2.763 1.615 + 1428TIP3 OH249148 -3.986 2.412 1.614 + 1428TIP3 H149149 -4.057 2.453 1.670 + 1428TIP3 H249150 -3.937 2.493 1.590 + 1428TIP3 OH249151 -3.214 1.665 2.621 + 1428TIP3 H149152 -3.148 1.690 2.688 + 1428TIP3 H249153 -3.258 1.588 2.662 + 1428TIP3 OH249154 -3.147 1.607 1.747 + 1428TIP3 H149155 -3.128 1.659 1.668 + 1428TIP3 H249156 -3.101 1.658 1.816 + 1428TIP3 OH249157 -3.358 2.864 1.654 + 1428TIP3 H149158 -3.453 2.885 1.654 + 1428TIP3 H249159 -3.335 2.876 1.560 + 1428TIP3 OH249160 -3.406 1.803 1.840 + 1428TIP3 H149161 -3.332 1.864 1.855 + 1428TIP3 H249162 -3.441 1.791 1.931 + 1428TIP3 OH249163 -3.370 1.900 2.757 + 1428TIP3 H149164 -3.358 1.949 2.841 + 1428TIP3 H249165 -3.313 1.823 2.773 + 1428TIP3 OH249166 -3.346 1.508 1.938 + 1428TIP3 H149167 -3.368 1.580 2.001 + 1428TIP3 H249168 -3.275 1.550 1.885 + 1428TIP3 OH249169 -3.639 2.942 1.643 + 1428TIP3 H149170 -3.657 3.019 1.586 + 1428TIP3 H249171 -3.662 2.976 1.732 + 1428TIP3 OH249172 -3.776 1.618 1.602 + 1428TIP3 H149173 -3.768 1.701 1.654 + 1428TIP3 H249174 -3.692 1.574 1.626 + 1428TIP3 OH249175 -2.742 1.700 2.846 + 1428TIP3 H149176 -2.838 1.710 2.831 + 1428TIP3 H249177 -2.714 1.677 2.756 + 1429TIP3 OH249178 -2.892 2.086 2.252 + 1429TIP3 H149179 -2.973 2.039 2.223 + 1429TIP3 H249180 -2.842 2.015 2.297 + 1429TIP3 OH249181 -3.930 2.700 1.496 + 1429TIP3 H149182 -3.851 2.740 1.536 + 1429TIP3 H249183 -3.888 2.643 1.431 + 1429TIP3 OH249184 -4.108 1.915 1.409 + 1429TIP3 H149185 -4.110 2.009 1.434 + 1429TIP3 H249186 -4.194 1.899 1.369 + 1429TIP3 OH249187 -2.791 2.967 2.386 + 1429TIP3 H149188 -2.802 3.050 2.336 + 1429TIP3 H249189 -2.698 2.977 2.413 + 1429TIP3 OH249190 -4.031 1.414 2.285 + 1429TIP3 H149191 -4.059 1.409 2.191 + 1429TIP3 H249192 -4.073 1.334 2.322 + 1429TIP3 OH249193 -4.133 2.781 1.913 + 1429TIP3 H149194 -4.226 2.807 1.921 + 1429TIP3 H249195 -4.109 2.817 1.827 + 1429TIP3 OH249196 -4.213 3.056 3.031 + 1429TIP3 H149197 -4.152 3.050 3.106 + 1429TIP3 H249198 -4.228 2.961 3.017 + 1429TIP3 OH249199 -3.725 2.967 3.204 + 1429TIP3 H149200 -3.658 2.901 3.229 + 1429TIP3 H249201 -3.750 2.937 3.116 + 1429TIP3 OH249202 -3.323 2.887 1.372 + 1429TIP3 H149203 -3.398 2.828 1.348 + 1429TIP3 H249204 -3.251 2.841 1.325 + 1429TIP3 OH249205 -3.075 2.787 3.060 + 1429TIP3 H149206 -3.117 2.711 3.104 + 1429TIP3 H249207 -3.010 2.815 3.127 + 1430TIP3 OH249208 -2.860 2.886 1.373 + 1430TIP3 H149209 -2.847 2.802 1.420 + 1430TIP3 H249210 -2.783 2.889 1.314 + 1430TIP3 OH249211 -4.204 2.452 3.095 + 1430TIP3 H149212 -4.194 2.368 3.049 + 1430TIP3 H249213 -4.288 2.486 3.059 + 1430TIP3 OH249214 -3.780 2.465 1.344 + 1430TIP3 H149215 -3.763 2.404 1.417 + 1430TIP3 H249216 -3.696 2.459 1.295 + 1430TIP3 OH249217 -3.534 2.442 3.070 + 1430TIP3 H149218 -3.569 2.474 2.985 + 1430TIP3 H249219 -3.529 2.346 3.057 + 1430TIP3 OH249220 -3.256 2.596 1.303 + 1430TIP3 H149221 -3.260 2.591 1.400 + 1430TIP3 H249222 -3.260 2.501 1.281 + 1430TIP3 OH249223 -3.007 2.401 2.790 + 1430TIP3 H149224 -2.928 2.457 2.787 + 1430TIP3 H249225 -3.079 2.463 2.807 + 1430TIP3 OH249226 -4.135 2.126 3.067 + 1430TIP3 H149227 -4.058 2.066 3.062 + 1430TIP3 H249228 -4.126 2.160 3.158 + 1430TIP3 OH249229 -3.672 2.272 1.577 + 1430TIP3 H149230 -3.732 2.222 1.635 + 1430TIP3 H249231 -3.644 2.203 1.514 + 1430TIP3 OH249232 -3.734 2.021 2.786 + 1430TIP3 H149233 -3.792 2.090 2.825 + 1430TIP3 H249234 -3.676 2.075 2.729 + 1430TIP3 OH249235 -3.576 2.076 1.401 + 1430TIP3 H149236 -3.579 2.082 1.304 + 1430TIP3 H249237 -3.480 2.069 1.416 + 1431TIP3 OH249238 -3.220 2.317 3.151 + 1431TIP3 H149239 -3.127 2.300 3.130 + 1431TIP3 H249240 -3.242 2.237 3.201 + 1431TIP3 OH249241 -2.628 2.324 1.334 + 1431TIP3 H149242 -2.633 2.281 1.248 + 1431TIP3 H249243 -2.631 2.418 1.308 + 1431TIP3 OH249244 -3.506 2.172 2.704 + 1431TIP3 H149245 -3.423 2.156 2.656 + 1431TIP3 H249246 -3.535 2.257 2.667 + 1431TIP3 OH249247 -3.043 1.962 3.176 + 1431TIP3 H149248 -3.022 1.869 3.195 + 1431TIP3 H249249 -2.954 2.000 3.178 + 1431TIP3 OH249250 -2.950 2.245 3.019 + 1431TIP3 H149251 -2.980 2.306 2.949 + 1431TIP3 H249252 -2.858 2.228 2.989 + 1431TIP3 OH249253 -3.863 1.951 3.058 + 1431TIP3 H149254 -3.916 1.873 3.081 + 1431TIP3 H249255 -3.772 1.919 3.059 + 1431TIP3 OH249256 -3.604 1.403 2.697 + 1431TIP3 H149257 -3.609 1.489 2.653 + 1431TIP3 H249258 -3.663 1.349 2.641 + 1431TIP3 OH249259 -3.474 1.815 3.064 + 1431TIP3 H149260 -3.489 1.789 3.157 + 1431TIP3 H249261 -3.555 1.783 3.024 + 1431TIP3 OH249262 -3.209 1.720 2.964 + 1431TIP3 H149263 -3.297 1.718 3.005 + 1431TIP3 H249264 -3.158 1.658 3.021 + 1431TIP3 OH249265 -3.031 1.568 3.128 + 1431TIP3 H149266 -3.035 1.472 3.147 + 1431TIP3 H249267 -3.037 1.609 3.216 + 1432TIP3 OH249268 -4.008 1.703 3.072 + 1432TIP3 H149269 -4.025 1.625 3.016 + 1432TIP3 H249270 -4.027 1.666 3.160 + 1432TIP3 OH249271 -3.600 1.309 2.974 + 1432TIP3 H149272 -3.543 1.230 2.978 + 1432TIP3 H249273 -3.603 1.326 2.878 + 1432TIP3 OH249274 -3.503 1.497 3.154 + 1432TIP3 H149275 -3.535 1.432 3.088 + 1432TIP3 H249276 -3.580 1.551 3.171 + 1432TIP3 OH249277 -3.601 3.211 1.516 + 1432TIP3 H149278 -3.505 3.208 1.517 + 1432TIP3 H249279 -3.618 3.241 1.426 + 1432TIP3 OH249280 -4.198 2.688 1.418 + 1432TIP3 H149281 -4.123 2.680 1.480 + 1432TIP3 H249282 -4.220 2.595 1.399 + 1432TIP3 OH249283 -4.273 2.966 2.133 + 1432TIP3 H149284 -4.277 2.877 2.173 + 1432TIP3 H249285 -4.244 3.016 2.211 + 1432TIP3 OH249286 -2.517 3.085 2.438 + 1432TIP3 H149287 -2.499 3.083 2.533 + 1432TIP3 H249288 -2.431 3.113 2.403 + 1432TIP3 OH249289 -2.528 3.029 2.724 + 1432TIP3 H149290 -2.574 2.952 2.688 + 1432TIP3 H249291 -2.470 2.986 2.789 + 1432TIP3 OH249292 -2.727 2.573 3.149 + 1432TIP3 H149293 -2.813 2.575 3.195 + 1432TIP3 H249294 -2.681 2.650 3.186 + 1432TIP3 OH249295 -2.589 2.465 1.730 + 1432TIP3 H149296 -2.497 2.497 1.742 + 1432TIP3 H249297 -2.593 2.398 1.801 + 1433TIP3 OH249298 -2.543 2.263 1.927 + 1433TIP3 H149299 -2.606 2.201 1.969 + 1433TIP3 H249300 -2.471 2.269 1.992 + 1433TIP3 OH249301 -2.578 2.517 2.414 + 1433TIP3 H149302 -2.514 2.460 2.368 + 1433TIP3 H249303 -2.542 2.605 2.393 + 1433TIP3 OH249304 -2.693 2.801 2.645 + 1433TIP3 H149305 -2.763 2.841 2.700 + 1433TIP3 H249306 -2.744 2.760 2.573 + 1433TIP3 OH249307 -2.519 2.200 1.585 + 1433TIP3 H149308 -2.566 2.230 1.505 + 1433TIP3 H249309 -2.525 2.279 1.641 + 1433TIP3 OH249310 -2.691 1.961 1.409 + 1433TIP3 H149311 -2.659 2.017 1.337 + 1433TIP3 H249312 -2.712 1.877 1.363 + 1433TIP3 OH249313 -2.750 2.072 2.007 + 1433TIP3 H149314 -2.753 1.976 1.991 + 1433TIP3 H249315 -2.786 2.079 2.097 + 1433TIP3 OH249316 -4.259 2.322 2.402 + 1433TIP3 H149317 -4.228 2.336 2.311 + 1433TIP3 H249318 -4.177 2.287 2.444 + 1433TIP3 OH249319 -2.687 2.267 2.917 + 1433TIP3 H149320 -2.619 2.199 2.938 + 1433TIP3 H249321 -2.633 2.347 2.910 + 1433TIP3 OH249322 -2.529 2.078 3.036 + 1433TIP3 H149323 -2.610 2.023 3.027 + 1433TIP3 H249324 -2.460 2.009 3.039 + 1433TIP3 OH249325 -2.742 1.695 1.333 + 1433TIP3 H149326 -2.681 1.643 1.388 + 1433TIP3 H249327 -2.820 1.638 1.325 + 1434TIP3 OH249328 -2.760 1.821 1.826 + 1434TIP3 H149329 -2.735 1.726 1.830 + 1434TIP3 H249330 -2.680 1.857 1.784 + 1434TIP3 OH249331 -2.737 1.886 2.367 + 1434TIP3 H149332 -2.639 1.893 2.364 + 1434TIP3 H249333 -2.750 1.885 2.464 + 1434TIP3 OH249334 -2.721 1.951 2.648 + 1434TIP3 H149335 -2.806 1.991 2.677 + 1434TIP3 H249336 -2.667 2.030 2.629 + 1434TIP3 OH249337 -4.284 1.804 2.986 + 1434TIP3 H149338 -4.199 1.777 3.024 + 1434TIP3 H249339 -4.348 1.745 3.028 + 1434TIP3 OH249340 -2.460 1.364 3.178 + 1434TIP3 H149341 -2.424 1.297 3.117 + 1434TIP3 H249342 -2.462 1.444 3.122 + 1434TIP3 OH249343 -2.713 1.543 1.822 + 1434TIP3 H149344 -2.699 1.508 1.912 + 1434TIP3 H249345 -2.792 1.492 1.794 + 1434TIP3 OH249346 -4.164 1.679 2.333 + 1434TIP3 H149347 -4.120 1.594 2.318 + 1434TIP3 H249348 -4.095 1.745 2.314 + 1434TIP3 OH249349 -4.308 1.951 2.384 + 1434TIP3 H149350 -4.253 1.904 2.320 + 1434TIP3 H249351 -4.270 2.039 2.379 + 1434TIP3 OH249352 -2.526 1.570 3.004 + 1434TIP3 H149353 -2.613 1.613 3.016 + 1434TIP3 H249354 -2.543 1.518 2.924 + 1434TIP3 OH249355 -2.516 1.589 1.488 + 1434TIP3 H149356 -2.485 1.509 1.443 + 1434TIP3 H249357 -2.434 1.641 1.497 + 1435TIP3 OH249358 -4.318 1.544 1.769 + 1435TIP3 H149359 -4.400 1.580 1.731 + 1435TIP3 H249360 -4.255 1.609 1.729 + 1435TIP3 OH249361 -2.825 3.097 2.013 + 1435TIP3 H149362 -2.771 3.066 1.938 + 1435TIP3 H249363 -2.757 3.132 2.072 + 1435TIP3 OH249364 -4.290 1.439 2.597 + 1435TIP3 H149365 -4.358 1.430 2.668 + 1435TIP3 H249366 -4.334 1.487 2.526 + 1435TIP3 OH249367 -4.115 2.791 3.067 + 1435TIP3 H149368 -4.176 2.735 3.018 + 1435TIP3 H249369 -4.132 2.760 3.159 + 1435TIP3 OH249370 -3.800 2.859 2.658 + 1435TIP3 H149371 -3.837 2.941 2.622 + 1435TIP3 H249372 -3.706 2.871 2.638 + 1435TIP3 OH249373 -3.348 2.984 2.957 + 1435TIP3 H149374 -3.340 2.973 3.053 + 1435TIP3 H249375 -3.266 3.033 2.936 + 1435TIP3 OH249376 -3.120 3.126 2.876 + 1435TIP3 H149377 -3.047 3.063 2.867 + 1435TIP3 H249378 -3.095 3.171 2.959 + 1435TIP3 OH249379 -2.639 1.396 2.800 + 1435TIP3 H149380 -2.720 1.415 2.751 + 1435TIP3 H249381 -2.618 1.305 2.768 + 1435TIP3 OH249382 -4.069 3.164 2.683 + 1435TIP3 H149383 -4.137 3.215 2.635 + 1435TIP3 H249384 -4.099 3.174 2.774 + 1435TIP3 OH249385 -3.817 3.132 2.546 + 1435TIP3 H149386 -3.904 3.148 2.588 + 1435TIP3 H249387 -3.816 3.200 2.477 + 1436TIP3 OH249388 -3.335 3.131 2.501 + 1436TIP3 H149389 -3.380 3.177 2.428 + 1436TIP3 H249390 -3.328 3.203 2.567 + 1436TIP3 OH249391 -3.107 2.972 2.568 + 1436TIP3 H149392 -3.191 3.021 2.557 + 1436TIP3 H249393 -3.045 3.046 2.578 + 1436TIP3 OH249394 -2.864 3.169 2.609 + 1436TIP3 H149395 -2.868 3.266 2.596 + 1436TIP3 H249396 -2.825 3.142 2.525 + 1436TIP3 OH249397 -4.124 3.043 2.382 + 1436TIP3 H149398 -4.135 2.995 2.467 + 1436TIP3 H249399 -4.052 2.992 2.342 + 1436TIP3 OH249400 -3.909 2.912 2.228 + 1436TIP3 H149401 -3.929 2.821 2.258 + 1436TIP3 H249402 -3.822 2.928 2.268 + 1436TIP3 OH249403 -3.625 2.956 2.315 + 1436TIP3 H149404 -3.615 2.862 2.295 + 1436TIP3 H249405 -3.625 2.954 2.412 + 1436TIP3 OH249406 -3.298 1.546 2.249 + 1436TIP3 H149407 -3.367 1.477 2.262 + 1436TIP3 H249408 -3.239 1.502 2.187 + 1436TIP3 OH249409 -2.802 1.348 2.296 + 1436TIP3 H149410 -2.725 1.390 2.253 + 1436TIP3 H249411 -2.876 1.375 2.238 + 1436TIP3 OH249412 -2.595 1.457 2.080 + 1436TIP3 H149413 -2.523 1.413 2.031 + 1436TIP3 H249414 -2.560 1.548 2.089 + 1436TIP3 OH249415 -4.111 1.399 2.007 + 1436TIP3 H149416 -4.176 1.376 1.939 + 1436TIP3 H249417 -4.043 1.331 1.991 + 1437TIP3 OH249418 -4.180 1.363 1.584 + 1437TIP3 H149419 -4.130 1.430 1.533 + 1437TIP3 H249420 -4.235 1.421 1.641 + 1437TIP3 OH249421 -3.612 1.390 1.992 + 1437TIP3 H149422 -3.524 1.429 1.977 + 1437TIP3 H249423 -3.616 1.390 2.088 + 1437TIP3 OH249424 -3.055 1.403 2.133 + 1437TIP3 H149425 -3.029 1.387 2.041 + 1437TIP3 H249426 -3.093 1.317 2.158 + 1437TIP3 OH249427 -2.945 1.403 1.733 + 1437TIP3 H149428 -3.027 1.452 1.717 + 1437TIP3 H249429 -2.979 1.312 1.745 + 1437TIP3 OH249430 -4.185 2.966 1.685 + 1437TIP3 H149431 -4.251 2.945 1.618 + 1437TIP3 H249432 -4.185 3.062 1.684 + 1437TIP3 OH249433 -4.003 1.549 1.439 + 1437TIP3 H149434 -3.943 1.495 1.386 + 1437TIP3 H249435 -3.943 1.582 1.508 + 1437TIP3 OH249436 -3.499 1.567 1.696 + 1437TIP3 H149437 -3.467 1.507 1.765 + 1437TIP3 H249438 -3.475 1.653 1.736 + 1437TIP3 OH249439 -3.273 3.170 1.540 + 1437TIP3 H149440 -3.183 3.134 1.523 + 1437TIP3 H249441 -3.324 3.101 1.496 + 1437TIP3 OH249442 -2.655 3.044 1.781 + 1437TIP3 H149443 -2.668 2.958 1.737 + 1437TIP3 H249444 -2.628 3.099 1.705 + 1437TIP3 OH249445 -4.077 1.446 2.960 + 1437TIP3 H149446 -4.127 1.369 2.992 + 1437TIP3 H249447 -3.987 1.421 2.989 + 1438TIP3 OH249448 -3.843 1.378 3.127 + 1438TIP3 H149449 -3.762 1.339 3.088 + 1438TIP3 H249450 -3.877 1.301 3.176 + 1438TIP3 OH249451 -4.010 3.067 1.385 + 1438TIP3 H149452 -4.043 3.082 1.475 + 1438TIP3 H249453 -3.944 2.996 1.400 + 1438TIP3 OH249454 -3.030 1.288 3.147 + 1438TIP3 H149455 -3.027 1.246 3.235 + 1438TIP3 H249456 -2.936 1.284 3.121 + 1438TIP3 OH249457 -2.692 2.924 3.013 + 1438TIP3 H149458 -2.770 2.904 2.958 + 1438TIP3 H249459 -2.711 3.017 3.037 + 1438TIP3 OH249460 -1.378 2.230 2.328 + 1438TIP3 H149461 -1.389 2.180 2.410 + 1438TIP3 H249462 -1.420 2.170 2.264 + 1438TIP3 OH249463 -2.145 2.194 2.505 + 1438TIP3 H149464 -2.144 2.118 2.567 + 1438TIP3 H249465 -2.071 2.246 2.539 + 1438TIP3 OH249466 -1.005 2.510 2.171 + 1438TIP3 H149467 -1.058 2.442 2.214 + 1438TIP3 H249468 -0.995 2.575 2.242 + 1438TIP3 OH249469 -2.078 2.656 2.355 + 1438TIP3 H149470 -2.099 2.564 2.328 + 1438TIP3 H249471 -1.984 2.646 2.374 + 1438TIP3 OH249472 -2.378 1.996 1.893 + 1438TIP3 H149473 -2.417 2.084 1.899 + 1438TIP3 H249474 -2.448 1.946 1.849 + 1438TIP3 OH249475 -2.298 2.242 2.077 + 1438TIP3 H149476 -2.281 2.159 2.126 + 1438TIP3 H249477 -2.213 2.255 2.033 + 1439TIP3 OH249478 -1.308 3.048 2.230 + 1439TIP3 H149479 -1.259 2.974 2.190 + 1439TIP3 H249480 -1.344 3.006 2.309 + 1439TIP3 OH249481 -1.542 2.483 2.398 + 1439TIP3 H149482 -1.510 2.422 2.329 + 1439TIP3 H249483 -1.459 2.499 2.445 + 1439TIP3 OH249484 -0.665 1.648 2.477 + 1439TIP3 H149485 -0.663 1.736 2.517 + 1439TIP3 H249486 -0.609 1.665 2.399 + 1439TIP3 OH249487 -1.212 1.918 2.443 + 1439TIP3 H149488 -1.199 1.821 2.443 + 1439TIP3 H249489 -1.217 1.936 2.348 + 1439TIP3 OH249490 -1.914 1.719 2.152 + 1439TIP3 H149491 -1.899 1.804 2.107 + 1439TIP3 H249492 -1.949 1.666 2.078 + 1439TIP3 OH249493 -1.130 1.737 1.985 + 1439TIP3 H149494 -1.068 1.695 2.048 + 1439TIP3 H249495 -1.068 1.780 1.924 + 1439TIP3 OH249496 -2.246 1.992 2.203 + 1439TIP3 H149497 -2.181 1.946 2.259 + 1439TIP3 H249498 -2.236 1.944 2.119 + 1439TIP3 OH249499 -1.710 2.131 2.153 + 1439TIP3 H149500 -1.637 2.076 2.188 + 1439TIP3 H249501 -1.758 2.066 2.098 + 1439TIP3 OH249502 -2.033 1.599 2.569 + 1439TIP3 H149503 -2.074 1.648 2.496 + 1439TIP3 H249504 -2.100 1.613 2.639 + 1439TIP3 OH249505 -1.739 2.387 2.583 + 1439TIP3 H149506 -1.813 2.448 2.605 + 1439TIP3 H249507 -1.677 2.446 2.535 + 1440TIP3 OH249508 -0.946 1.660 2.190 + 1440TIP3 H149509 -0.986 1.602 2.256 + 1440TIP3 H249510 -0.895 1.722 2.244 + 1440TIP3 OH249511 -2.074 1.804 2.362 + 1440TIP3 H149512 -2.009 1.861 2.408 + 1440TIP3 H249513 -2.017 1.767 2.290 + 1440TIP3 OH249514 -1.942 2.574 2.653 + 1440TIP3 H149515 -1.945 2.666 2.621 + 1440TIP3 H249516 -2.028 2.569 2.698 + 1440TIP3 OH249517 -2.314 2.545 1.742 + 1440TIP3 H149518 -2.326 2.595 1.658 + 1440TIP3 H249519 -2.293 2.615 1.807 + 1440TIP3 OH249520 -0.965 2.692 2.426 + 1440TIP3 H149521 -1.062 2.701 2.422 + 1440TIP3 H249522 -0.937 2.774 2.382 + 1440TIP3 OH249523 -0.932 1.568 2.578 + 1440TIP3 H149524 -1.008 1.612 2.535 + 1440TIP3 H249525 -0.859 1.595 2.519 + 1440TIP3 OH249526 -1.616 1.347 2.282 + 1440TIP3 H149527 -1.644 1.254 2.273 + 1440TIP3 H249528 -1.700 1.389 2.311 + 1440TIP3 OH249529 -1.131 2.876 2.084 + 1440TIP3 H149530 -1.089 2.798 2.044 + 1440TIP3 H249531 -1.072 2.948 2.054 + 1440TIP3 OH249532 -0.991 2.659 1.922 + 1440TIP3 H149533 -1.054 2.609 1.865 + 1440TIP3 H249534 -0.988 2.599 1.998 + 1440TIP3 OH249535 -0.835 2.550 2.786 + 1440TIP3 H149536 -0.847 2.487 2.712 + 1440TIP3 H249537 -0.824 2.634 2.738 + 1441TIP3 OH249538 -1.399 2.022 1.487 + 1441TIP3 H149539 -1.333 2.083 1.523 + 1441TIP3 H249540 -1.369 2.006 1.398 + 1441TIP3 OH249541 -0.659 2.169 2.580 + 1441TIP3 H149542 -0.733 2.231 2.586 + 1441TIP3 H249543 -0.611 2.205 2.503 + 1441TIP3 OH249544 -1.065 2.083 2.745 + 1441TIP3 H149545 -1.066 2.162 2.801 + 1441TIP3 H249546 -1.127 2.112 2.676 + 1441TIP3 OH249547 -1.907 2.315 2.043 + 1441TIP3 H149548 -1.929 2.274 1.957 + 1441TIP3 H249549 -1.834 2.260 2.074 + 1441TIP3 OH249550 -1.766 2.657 2.316 + 1441TIP3 H149551 -1.772 2.625 2.225 + 1441TIP3 H249552 -1.684 2.613 2.347 + 1441TIP3 OH249553 -1.842 2.200 2.393 + 1441TIP3 H149554 -1.787 2.201 2.312 + 1441TIP3 H249555 -1.799 2.268 2.448 + 1441TIP3 OH249556 -1.249 2.754 2.450 + 1441TIP3 H149557 -1.243 2.818 2.523 + 1441TIP3 H249558 -1.269 2.670 2.494 + 1441TIP3 OH249559 -1.756 2.632 2.874 + 1441TIP3 H149560 -1.808 2.699 2.922 + 1441TIP3 H249561 -1.819 2.605 2.804 + 1441TIP3 OH249562 -1.154 2.163 1.622 + 1441TIP3 H149563 -1.144 2.226 1.696 + 1441TIP3 H249564 -1.122 2.223 1.550 + 1441TIP3 OH249565 -2.063 2.274 2.785 + 1441TIP3 H149566 -2.058 2.329 2.865 + 1441TIP3 H249567 -2.159 2.257 2.779 + 1442TIP3 OH249568 -1.443 2.846 1.986 + 1442TIP3 H149569 -1.359 2.861 2.031 + 1442TIP3 H249570 -1.460 2.926 1.935 + 1442TIP3 OH249571 -1.946 2.852 2.956 + 1442TIP3 H149572 -1.957 2.854 2.860 + 1442TIP3 H249573 -2.034 2.824 2.988 + 1442TIP3 OH249574 -0.789 1.346 1.585 + 1442TIP3 H149575 -0.885 1.354 1.598 + 1442TIP3 H249576 -0.761 1.437 1.567 + 1442TIP3 OH249577 -2.001 2.193 1.791 + 1442TIP3 H149578 -2.019 2.269 1.733 + 1442TIP3 H249579 -2.070 2.131 1.765 + 1442TIP3 OH249580 -0.683 2.776 1.407 + 1442TIP3 H149581 -0.668 2.868 1.437 + 1442TIP3 H249582 -0.599 2.734 1.431 + 1442TIP3 OH249583 -2.407 2.459 2.668 + 1442TIP3 H149584 -2.439 2.453 2.576 + 1442TIP3 H249585 -2.385 2.366 2.687 + 1442TIP3 OH249586 -2.398 2.751 2.364 + 1442TIP3 H149587 -2.305 2.723 2.362 + 1442TIP3 H249588 -2.395 2.815 2.437 + 1442TIP3 OH249589 -0.557 2.815 2.938 + 1442TIP3 H149590 -0.567 2.720 2.918 + 1442TIP3 H249591 -0.648 2.837 2.966 + 1442TIP3 OH249592 -1.492 2.737 2.818 + 1442TIP3 H149593 -1.486 2.820 2.869 + 1442TIP3 H249594 -1.582 2.707 2.839 + 1442TIP3 OH249595 -1.466 3.117 1.814 + 1442TIP3 H149596 -1.463 3.123 1.717 + 1442TIP3 H249597 -1.457 3.209 1.842 + 1443TIP3 OH249598 -2.086 3.035 1.978 + 1443TIP3 H149599 -2.066 2.989 2.062 + 1443TIP3 H249600 -2.166 2.989 1.949 + 1443TIP3 OH249601 -1.130 3.060 1.532 + 1443TIP3 H149602 -1.080 2.991 1.486 + 1443TIP3 H249603 -1.137 3.023 1.621 + 1443TIP3 OH249604 -1.194 3.006 1.819 + 1443TIP3 H149605 -1.291 3.014 1.825 + 1443TIP3 H249606 -1.181 2.919 1.859 + 1443TIP3 OH249607 -0.869 1.935 2.964 + 1443TIP3 H149608 -0.923 2.004 2.921 + 1443TIP3 H249609 -0.924 1.858 2.942 + 1443TIP3 OH249610 -2.183 2.617 2.793 + 1443TIP3 H149611 -2.153 2.569 2.874 + 1443TIP3 H249612 -2.254 2.560 2.759 + 1443TIP3 OH249613 -1.863 1.458 2.371 + 1443TIP3 H149614 -1.943 1.456 2.316 + 1443TIP3 H249615 -1.884 1.535 2.427 + 1443TIP3 OH249616 -1.423 1.422 2.728 + 1443TIP3 H149617 -1.372 1.372 2.795 + 1443TIP3 H249618 -1.515 1.392 2.743 + 1443TIP3 OH249619 -1.060 1.788 2.820 + 1443TIP3 H149620 -1.140 1.760 2.868 + 1443TIP3 H249621 -1.093 1.864 2.768 + 1443TIP3 OH249622 -1.021 2.293 1.406 + 1443TIP3 H149623 -1.029 2.254 1.318 + 1443TIP3 H249624 -0.927 2.312 1.413 + 1443TIP3 OH249625 -1.442 1.669 1.441 + 1443TIP3 H149626 -1.491 1.669 1.524 + 1443TIP3 H249627 -1.484 1.594 1.395 + 1444TIP3 OH249628 -1.876 1.941 2.507 + 1444TIP3 H149629 -1.932 1.954 2.586 + 1444TIP3 H249630 -1.867 2.032 2.473 + 1444TIP3 OH249631 -1.882 1.949 1.997 + 1444TIP3 H149632 -1.977 1.938 1.979 + 1444TIP3 H249633 -1.845 1.931 1.908 + 1444TIP3 OH249634 -1.331 2.032 1.862 + 1444TIP3 H149635 -1.362 2.119 1.832 + 1444TIP3 H249636 -1.264 2.012 1.795 + 1444TIP3 OH249637 -1.402 2.026 3.011 + 1444TIP3 H149638 -1.453 1.951 3.046 + 1444TIP3 H249639 -1.314 2.012 3.050 + 1444TIP3 OH249640 -1.239 1.949 2.140 + 1444TIP3 H149641 -1.266 2.006 2.065 + 1444TIP3 H249642 -1.215 1.867 2.091 + 1444TIP3 OH249643 -2.145 1.959 2.694 + 1444TIP3 H149644 -2.112 1.988 2.780 + 1444TIP3 H249645 -2.176 1.869 2.714 + 1444TIP3 OH249646 -1.787 1.724 1.342 + 1444TIP3 H149647 -1.819 1.684 1.426 + 1444TIP3 H249648 -1.869 1.738 1.294 + 1444TIP3 OH249649 -2.458 1.705 2.058 + 1444TIP3 H149650 -2.396 1.702 2.132 + 1444TIP3 H249651 -2.408 1.666 1.984 + 1444TIP3 OH249652 -2.298 1.749 1.627 + 1444TIP3 H149653 -2.242 1.796 1.561 + 1444TIP3 H249654 -2.367 1.814 1.644 + 1444TIP3 OH249655 -1.325 2.114 2.600 + 1444TIP3 H149656 -1.282 2.043 2.547 + 1444TIP3 H249657 -1.357 2.064 2.676 + 1445TIP3 OH249658 -1.605 1.706 2.097 + 1445TIP3 H149659 -1.699 1.701 2.118 + 1445TIP3 H249660 -1.564 1.689 2.183 + 1445TIP3 OH249661 -2.149 1.830 1.968 + 1445TIP3 H149662 -2.230 1.856 1.920 + 1445TIP3 H249663 -2.119 1.751 1.919 + 1445TIP3 OH249664 -1.785 1.871 1.738 + 1445TIP3 H149665 -1.687 1.873 1.739 + 1445TIP3 H249666 -1.808 1.926 1.662 + 1445TIP3 OH249667 -1.163 1.619 2.404 + 1445TIP3 H149668 -1.227 1.623 2.478 + 1445TIP3 H249669 -1.221 1.587 2.332 + 1445TIP3 OH249670 -1.911 1.991 1.493 + 1445TIP3 H149671 -1.982 1.962 1.433 + 1445TIP3 H249672 -1.836 1.984 1.433 + 1445TIP3 OH249673 -0.868 3.205 3.067 + 1445TIP3 H149674 -0.838 3.243 2.982 + 1445TIP3 H249675 -0.795 3.231 3.127 + 1445TIP3 OH249676 -2.074 2.464 3.010 + 1445TIP3 H149677 -2.007 2.472 3.081 + 1445TIP3 H249678 -2.155 2.458 3.065 + 1445TIP3 OH249679 -1.504 1.961 2.282 + 1445TIP3 H149680 -1.429 1.923 2.233 + 1445TIP3 H249681 -1.514 1.898 2.356 + 1445TIP3 OH249682 -1.975 1.602 1.895 + 1445TIP3 H149683 -2.026 1.521 1.912 + 1445TIP3 H249684 -1.892 1.566 1.861 + 1445TIP3 OH249685 -1.604 1.804 2.511 + 1445TIP3 H149686 -1.680 1.865 2.504 + 1445TIP3 H249687 -1.558 1.836 2.591 + 1446TIP3 OH249688 -1.587 2.454 1.670 + 1446TIP3 H149689 -1.648 2.380 1.659 + 1446TIP3 H249690 -1.554 2.445 1.760 + 1446TIP3 OH249691 -0.870 2.364 2.572 + 1446TIP3 H149692 -0.820 2.418 2.507 + 1446TIP3 H249693 -0.955 2.351 2.525 + 1446TIP3 OH249694 -1.162 1.718 1.437 + 1446TIP3 H149695 -1.259 1.710 1.429 + 1446TIP3 H249696 -1.151 1.788 1.503 + 1446TIP3 OH249697 -1.427 2.448 2.829 + 1446TIP3 H149698 -1.459 2.417 2.915 + 1446TIP3 H249699 -1.459 2.540 2.828 + 1446TIP3 OH249700 -1.115 1.889 1.676 + 1446TIP3 H149701 -1.027 1.888 1.718 + 1446TIP3 H249702 -1.120 1.982 1.643 + 1446TIP3 OH249703 -2.079 2.386 2.277 + 1446TIP3 H149704 -2.023 2.376 2.198 + 1446TIP3 H249705 -2.066 2.300 2.321 + 1446TIP3 OH249706 -2.353 2.215 2.805 + 1446TIP3 H149707 -2.336 2.173 2.891 + 1446TIP3 H249708 -2.413 2.152 2.762 + 1446TIP3 OH249709 -1.654 2.165 3.003 + 1446TIP3 H149710 -1.690 2.140 2.916 + 1446TIP3 H249711 -1.562 2.137 2.994 + 1446TIP3 OH249712 -1.201 2.709 2.775 + 1446TIP3 H149713 -1.297 2.715 2.768 + 1446TIP3 H249714 -1.186 2.732 2.868 + 1446TIP3 OH249715 -0.649 1.913 1.653 + 1446TIP3 H149716 -0.702 1.893 1.574 + 1446TIP3 H249717 -0.639 2.009 1.641 + 1447TIP3 OH249718 -0.604 2.514 2.933 + 1447TIP3 H149719 -0.697 2.535 2.912 + 1447TIP3 H249720 -0.569 2.497 2.843 + 1447TIP3 OH249721 -0.824 2.775 1.665 + 1447TIP3 H149722 -0.858 2.703 1.719 + 1447TIP3 H249723 -0.776 2.728 1.595 + 1447TIP3 OH249724 -1.104 2.303 2.406 + 1447TIP3 H149725 -1.196 2.290 2.376 + 1447TIP3 H249726 -1.058 2.235 2.353 + 1447TIP3 OH249727 -1.847 2.715 2.012 + 1447TIP3 H149728 -1.793 2.794 1.992 + 1447TIP3 H249729 -1.932 2.739 1.975 + 1447TIP3 OH249730 -2.239 2.193 1.469 + 1447TIP3 H149731 -2.181 2.262 1.505 + 1447TIP3 H249732 -2.327 2.226 1.494 + 1447TIP3 OH249733 -1.659 2.477 1.973 + 1447TIP3 H149734 -1.676 2.572 1.973 + 1447TIP3 H249735 -1.743 2.441 2.002 + 1447TIP3 OH249736 -1.641 2.911 2.603 + 1447TIP3 H149737 -1.585 2.984 2.572 + 1447TIP3 H249738 -1.579 2.859 2.656 + 1447TIP3 OH249739 -1.798 3.005 1.926 + 1447TIP3 H149740 -1.893 3.023 1.932 + 1447TIP3 H249741 -1.760 3.092 1.949 + 1447TIP3 OH249742 -1.298 2.485 2.559 + 1447TIP3 H149743 -1.327 2.455 2.647 + 1447TIP3 H249744 -1.226 2.422 2.539 + 1447TIP3 OH249745 -1.069 2.600 1.490 + 1447TIP3 H149746 -1.039 2.561 1.574 + 1447TIP3 H249747 -1.164 2.589 1.509 + 1448TIP3 OH249748 -1.007 2.943 2.800 + 1448TIP3 H149749 -1.082 2.896 2.758 + 1448TIP3 H249750 -0.997 3.021 2.742 + 1448TIP3 OH249751 -0.609 3.042 1.503 + 1448TIP3 H149752 -0.539 3.106 1.482 + 1448TIP3 H249753 -0.686 3.102 1.505 + 1448TIP3 OH249754 -2.220 1.678 2.765 + 1448TIP3 H149755 -2.312 1.704 2.742 + 1448TIP3 H249756 -2.235 1.592 2.808 + 1448TIP3 OH249757 -2.247 2.854 2.607 + 1448TIP3 H149758 -2.214 2.764 2.621 + 1448TIP3 H249759 -2.222 2.895 2.690 + 1448TIP3 OH249760 -1.650 2.710 1.302 + 1448TIP3 H149761 -1.612 2.636 1.253 + 1448TIP3 H249762 -1.694 2.666 1.377 + 1448TIP3 OH249763 -1.773 2.658 1.593 + 1448TIP3 H149764 -1.708 2.605 1.645 + 1448TIP3 H249765 -1.750 2.749 1.619 + 1448TIP3 OH249766 -2.091 2.415 1.615 + 1448TIP3 H149767 -2.161 2.455 1.670 + 1448TIP3 H249768 -2.039 2.494 1.590 + 1448TIP3 OH249769 -1.308 1.669 2.633 + 1448TIP3 H149770 -1.256 1.678 2.714 + 1448TIP3 H249771 -1.372 1.600 2.659 + 1448TIP3 OH249772 -1.259 1.609 1.732 + 1448TIP3 H149773 -1.245 1.669 1.657 + 1448TIP3 H249774 -1.218 1.660 1.804 + 1448TIP3 OH249775 -1.471 2.844 1.648 + 1448TIP3 H149776 -1.561 2.879 1.651 + 1448TIP3 H249777 -1.438 2.870 1.561 + 1449TIP3 OH249778 -1.511 1.807 1.842 + 1449TIP3 H149779 -1.442 1.876 1.852 + 1449TIP3 H249780 -1.539 1.793 1.934 + 1449TIP3 OH249781 -1.484 1.895 2.757 + 1449TIP3 H149782 -1.480 1.950 2.837 + 1449TIP3 H249783 -1.426 1.822 2.779 + 1449TIP3 OH249784 -1.456 1.494 1.935 + 1449TIP3 H149785 -1.479 1.569 1.992 + 1449TIP3 H249786 -1.386 1.532 1.879 + 1449TIP3 OH249787 -1.762 2.937 1.637 + 1449TIP3 H149788 -1.764 3.020 1.587 + 1449TIP3 H249789 -1.768 2.968 1.729 + 1449TIP3 OH249790 -1.881 1.614 1.581 + 1449TIP3 H149791 -1.887 1.687 1.644 + 1449TIP3 H249792 -1.801 1.568 1.614 + 1449TIP3 OH249793 -1.004 2.082 2.253 + 1449TIP3 H149794 -1.081 2.039 2.213 + 1449TIP3 H249795 -0.956 2.007 2.292 + 1449TIP3 OH249796 -2.042 2.695 1.492 + 1449TIP3 H149797 -1.970 2.744 1.535 + 1449TIP3 H249798 -1.989 2.642 1.430 + 1449TIP3 OH249799 -2.226 1.916 1.408 + 1449TIP3 H149800 -2.217 2.011 1.430 + 1449TIP3 H249801 -2.312 1.913 1.364 + 1449TIP3 OH249802 -0.902 2.972 2.393 + 1449TIP3 H149803 -0.920 3.050 2.337 + 1449TIP3 H249804 -0.808 2.985 2.411 + 1449TIP3 OH249805 -2.142 1.419 2.285 + 1449TIP3 H149806 -2.155 1.415 2.188 + 1449TIP3 H249807 -2.176 1.334 2.314 + 1450TIP3 OH249808 -2.253 2.767 1.915 + 1450TIP3 H149809 -2.331 2.822 1.933 + 1450TIP3 H249810 -2.210 2.817 1.844 + 1450TIP3 OH249811 -2.312 3.059 3.028 + 1450TIP3 H149812 -2.253 3.031 3.101 + 1450TIP3 H249813 -2.350 2.973 3.000 + 1450TIP3 OH249814 -1.839 2.966 3.208 + 1450TIP3 H149815 -1.772 2.898 3.227 + 1450TIP3 H249816 -1.865 2.941 3.118 + 1450TIP3 OH249817 -1.433 2.883 1.355 + 1450TIP3 H149818 -1.508 2.822 1.343 + 1450TIP3 H249819 -1.361 2.837 1.308 + 1450TIP3 OH249820 -1.196 2.796 3.068 + 1450TIP3 H149821 -1.234 2.712 3.102 + 1450TIP3 H249822 -1.124 2.813 3.132 + 1450TIP3 OH249823 -0.984 2.867 1.363 + 1450TIP3 H149824 -0.965 2.795 1.424 + 1450TIP3 H249825 -0.899 2.877 1.316 + 1450TIP3 OH249826 -2.314 2.425 3.139 + 1450TIP3 H149827 -2.306 2.332 3.111 + 1450TIP3 H249828 -2.393 2.452 3.087 + 1450TIP3 OH249829 -1.886 2.464 1.337 + 1450TIP3 H149830 -1.864 2.404 1.412 + 1450TIP3 H249831 -1.821 2.440 1.271 + 1450TIP3 OH249832 -1.653 2.441 3.074 + 1450TIP3 H149833 -1.683 2.474 2.988 + 1450TIP3 H249834 -1.646 2.345 3.059 + 1450TIP3 OH249835 -1.386 2.556 1.320 + 1450TIP3 H149836 -1.390 2.580 1.414 + 1450TIP3 H249837 -1.367 2.462 1.325 + 1451TIP3 OH249838 -1.115 2.404 2.816 + 1451TIP3 H149839 -1.039 2.458 2.791 + 1451TIP3 H249840 -1.187 2.469 2.811 + 1451TIP3 OH249841 -2.228 2.141 3.056 + 1451TIP3 H149842 -2.161 2.072 3.057 + 1451TIP3 H249843 -2.236 2.157 3.152 + 1451TIP3 OH249844 -1.783 2.268 1.554 + 1451TIP3 H149845 -1.837 2.224 1.622 + 1451TIP3 H249846 -1.741 2.193 1.510 + 1451TIP3 OH249847 -1.865 2.047 2.798 + 1451TIP3 H149848 -1.917 2.126 2.822 + 1451TIP3 H249849 -1.799 2.085 2.737 + 1451TIP3 OH249850 -1.333 2.320 3.158 + 1451TIP3 H149851 -1.244 2.301 3.126 + 1451TIP3 H249852 -1.360 2.235 3.195 + 1451TIP3 OH249853 -0.736 2.316 1.319 + 1451TIP3 H149854 -0.787 2.296 1.240 + 1451TIP3 H249855 -0.742 2.414 1.319 + 1451TIP3 OH249856 -1.802 1.780 2.914 + 1451TIP3 H149857 -1.798 1.713 2.844 + 1451TIP3 H249858 -1.826 1.860 2.864 + 1451TIP3 OH249859 -1.771 1.622 2.659 + 1451TIP3 H149860 -1.719 1.678 2.598 + 1451TIP3 H249861 -1.862 1.628 2.625 + 1451TIP3 OH249862 -1.615 2.169 2.700 + 1451TIP3 H149863 -1.531 2.162 2.652 + 1451TIP3 H249864 -1.647 2.256 2.670 + 1451TIP3 OH249865 -1.158 1.962 3.174 + 1451TIP3 H149866 -1.139 1.870 3.198 + 1451TIP3 H249867 -1.069 2.002 3.179 + 1452TIP3 OH249868 -1.057 2.235 3.020 + 1452TIP3 H149869 -1.095 2.297 2.955 + 1452TIP3 H249870 -0.965 2.231 2.988 + 1452TIP3 OH249871 -1.979 1.965 3.092 + 1452TIP3 H149872 -2.038 1.888 3.099 + 1452TIP3 H249873 -1.902 1.926 3.048 + 1452TIP3 OH249874 -1.699 1.355 2.694 + 1452TIP3 H149875 -1.714 1.451 2.679 + 1452TIP3 H249876 -1.771 1.317 2.641 + 1452TIP3 OH249877 -1.569 1.812 3.073 + 1452TIP3 H149878 -1.605 1.792 3.161 + 1452TIP3 H249879 -1.649 1.795 3.019 + 1452TIP3 OH249880 -1.313 1.716 2.951 + 1452TIP3 H149881 -1.401 1.728 2.992 + 1452TIP3 H249882 -1.269 1.659 3.017 + 1452TIP3 OH249883 -1.132 1.571 3.133 + 1452TIP3 H149884 -1.148 1.475 3.148 + 1452TIP3 H249885 -1.152 1.611 3.219 + 1452TIP3 OH249886 -2.115 1.707 3.079 + 1452TIP3 H149887 -2.127 1.637 3.012 + 1452TIP3 H249888 -2.139 1.660 3.161 + 1452TIP3 OH249889 -1.716 1.306 2.977 + 1452TIP3 H149890 -1.656 1.230 2.983 + 1452TIP3 H249891 -1.718 1.322 2.881 + 1452TIP3 OH249892 -1.621 1.492 3.161 + 1452TIP3 H149893 -1.656 1.434 3.091 + 1452TIP3 H249894 -1.689 1.562 3.166 + 1452TIP3 OH249895 -1.714 3.193 1.507 + 1452TIP3 H149896 -1.620 3.204 1.523 + 1452TIP3 H249897 -1.724 3.245 1.426 + 1453TIP3 OH249898 -2.322 2.636 1.467 + 1453TIP3 H149899 -2.226 2.654 1.476 + 1453TIP3 H249900 -2.321 2.560 1.406 + 1453TIP3 OH249901 -2.425 3.157 1.942 + 1453TIP3 H149902 -2.496 3.118 1.888 + 1453TIP3 H249903 -2.411 3.088 2.010 + 1453TIP3 OH249904 -2.388 2.959 2.138 + 1453TIP3 H149905 -2.412 2.870 2.169 + 1453TIP3 H249906 -2.347 2.993 2.219 + 1453TIP3 OH249907 -0.630 3.088 2.438 + 1453TIP3 H149908 -0.612 3.081 2.533 + 1453TIP3 H249909 -0.544 3.113 2.403 + 1453TIP3 OH249910 -0.641 3.030 2.727 + 1453TIP3 H149911 -0.692 2.955 2.690 + 1453TIP3 H249912 -0.584 2.983 2.789 + 1453TIP3 OH249913 -0.840 2.569 3.157 + 1453TIP3 H149914 -0.929 2.579 3.195 + 1453TIP3 H249915 -0.795 2.650 3.185 + 1453TIP3 OH249916 -0.716 2.466 1.707 + 1453TIP3 H149917 -0.633 2.494 1.748 + 1453TIP3 H249918 -0.757 2.415 1.779 + 1453TIP3 OH249919 -0.653 2.249 1.923 + 1453TIP3 H149920 -0.731 2.205 1.961 + 1453TIP3 H249921 -0.593 2.262 1.998 + 1453TIP3 OH249922 -0.679 2.508 2.427 + 1453TIP3 H149923 -0.622 2.458 2.366 + 1453TIP3 H249924 -0.671 2.599 2.392 + 1453TIP3 OH249925 -0.810 2.800 2.649 + 1453TIP3 H149926 -0.885 2.839 2.697 + 1453TIP3 H249927 -0.855 2.764 2.569 + 1454TIP3 OH249928 -0.627 2.206 1.588 + 1454TIP3 H149929 -0.682 2.230 1.512 + 1454TIP3 H249930 -0.647 2.278 1.650 + 1454TIP3 OH249931 -0.781 1.957 1.399 + 1454TIP3 H149932 -0.791 2.010 1.319 + 1454TIP3 H249933 -0.827 1.875 1.373 + 1454TIP3 OH249934 -0.888 2.096 1.978 + 1454TIP3 H149935 -0.893 2.001 1.963 + 1454TIP3 H249936 -0.929 2.109 2.065 + 1454TIP3 OH249937 -2.378 2.298 2.379 + 1454TIP3 H149938 -2.353 2.299 2.285 + 1454TIP3 H249939 -2.292 2.273 2.418 + 1454TIP3 OH249940 -0.788 2.254 2.941 + 1454TIP3 H149941 -0.709 2.198 2.942 + 1454TIP3 H249942 -0.752 2.336 2.904 + 1454TIP3 OH249943 -0.625 2.021 3.056 + 1454TIP3 H149944 -0.706 1.991 3.009 + 1454TIP3 H249945 -0.552 1.978 3.010 + 1454TIP3 OH249946 -0.871 1.695 1.331 + 1454TIP3 H149947 -0.818 1.642 1.393 + 1454TIP3 H249948 -0.962 1.662 1.344 + 1454TIP3 OH249949 -0.872 1.828 1.833 + 1454TIP3 H149950 -0.847 1.733 1.838 + 1454TIP3 H249951 -0.794 1.863 1.787 + 1454TIP3 OH249952 -0.851 1.876 2.372 + 1454TIP3 H149953 -0.756 1.895 2.365 + 1454TIP3 H249954 -0.864 1.884 2.468 + 1454TIP3 OH249955 -0.805 1.924 2.669 + 1454TIP3 H149956 -0.892 1.959 2.693 + 1454TIP3 H249957 -0.757 2.005 2.642 + 1455TIP3 OH249958 -2.386 1.827 3.009 + 1455TIP3 H149959 -2.293 1.805 3.024 + 1455TIP3 H249960 -2.430 1.742 3.026 + 1455TIP3 OH249961 -0.600 1.403 3.125 + 1455TIP3 H149962 -0.555 1.317 3.117 + 1455TIP3 H249963 -0.529 1.462 3.096 + 1455TIP3 OH249964 -0.826 1.552 1.824 + 1455TIP3 H149965 -0.817 1.512 1.912 + 1455TIP3 H249966 -0.898 1.498 1.785 + 1455TIP3 OH249967 -2.309 1.661 2.299 + 1455TIP3 H149968 -2.262 1.576 2.303 + 1455TIP3 H249969 -2.239 1.722 2.332 + 1455TIP3 OH249970 -2.455 1.930 2.401 + 1455TIP3 H149971 -2.395 1.924 2.324 + 1455TIP3 H249972 -2.416 2.004 2.448 + 1455TIP3 OH249973 -0.626 1.580 1.482 + 1455TIP3 H149974 -0.595 1.507 1.428 + 1455TIP3 H249975 -0.544 1.631 1.492 + 1455TIP3 OH249976 -2.404 1.565 1.809 + 1455TIP3 H149977 -2.499 1.568 1.786 + 1455TIP3 H249978 -2.363 1.624 1.742 + 1455TIP3 OH249979 -0.940 3.101 2.016 + 1455TIP3 H149980 -0.897 3.066 1.936 + 1455TIP3 H249981 -0.865 3.123 2.072 + 1455TIP3 OH249982 -2.400 1.450 2.621 + 1455TIP3 H149983 -2.470 1.426 2.684 + 1455TIP3 H249984 -2.450 1.503 2.557 + 1455TIP3 OH249985 -2.201 2.766 3.090 + 1455TIP3 H149986 -2.273 2.757 3.026 + 1455TIP3 H249987 -2.246 2.752 3.175 + 1456TIP3 OH249988 -1.918 2.859 2.658 + 1456TIP3 H149989 -1.947 2.945 2.621 + 1456TIP3 H249990 -1.822 2.867 2.640 + 1456TIP3 OH249991 -1.468 2.991 2.959 + 1456TIP3 H149992 -1.452 2.971 3.052 + 1456TIP3 H249993 -1.384 3.034 2.933 + 1456TIP3 OH249994 -1.236 3.136 2.889 + 1456TIP3 H149995 -1.168 3.072 2.864 + 1456TIP3 H249996 -1.204 3.166 2.976 + 1456TIP3 OH249997 -0.766 1.436 2.814 + 1456TIP3 H149998 -0.840 1.440 2.751 + 1456TIP3 H249999 -0.731 1.346 2.793 + 1456TIP3 OH250000 -2.181 3.154 2.690 + 1456TIP3 H150001 -2.240 3.218 2.647 + 1456TIP3 H250002 -2.213 3.159 2.781 + 1456TIP3 OH250003 -1.931 3.132 2.547 + 1456TIP3 H150004 -2.016 3.151 2.590 + 1456TIP3 H250005 -1.926 3.200 2.478 + 1456TIP3 OH250006 -1.457 3.130 2.502 + 1456TIP3 H150007 -1.493 3.173 2.422 + 1456TIP3 H250008 -1.448 3.206 2.562 + 1456TIP3 OH250009 -1.224 3.005 2.599 + 1456TIP3 H150010 -1.307 3.036 2.559 + 1456TIP3 H250011 -1.166 3.082 2.588 + 1456TIP3 OH250012 -0.967 3.177 2.613 + 1456TIP3 H150013 -0.975 3.270 2.585 + 1456TIP3 H250014 -0.941 3.134 2.530 + 1456TIP3 OH250015 -2.224 3.032 2.383 + 1456TIP3 H150016 -2.223 2.985 2.470 + 1456TIP3 H250017 -2.145 2.990 2.341 + 1457TIP3 OH250018 -2.021 2.911 2.231 + 1457TIP3 H150019 -2.033 2.816 2.253 + 1457TIP3 H250020 -1.928 2.925 2.258 + 1457TIP3 OH250021 -1.747 2.956 2.318 + 1457TIP3 H150022 -1.722 2.866 2.292 + 1457TIP3 H250023 -1.737 2.950 2.415 + 1457TIP3 OH250024 -1.407 1.543 2.250 + 1457TIP3 H150025 -1.479 1.477 2.259 + 1457TIP3 H250026 -1.350 1.502 2.183 + 1457TIP3 OH250027 -0.916 1.348 2.294 + 1457TIP3 H150028 -0.839 1.390 2.250 + 1457TIP3 H250029 -0.990 1.378 2.238 + 1457TIP3 OH250030 -0.709 1.456 2.085 + 1457TIP3 H150031 -0.643 1.408 2.031 + 1457TIP3 H250032 -0.674 1.547 2.084 + 1457TIP3 OH250033 -2.171 1.406 2.005 + 1457TIP3 H150034 -2.256 1.391 1.960 + 1457TIP3 H250035 -2.125 1.322 1.986 + 1457TIP3 OH250036 -2.295 1.365 1.595 + 1457TIP3 H150037 -2.245 1.429 1.540 + 1457TIP3 H250038 -2.335 1.422 1.662 + 1457TIP3 OH250039 -1.734 1.400 1.983 + 1457TIP3 H150040 -1.639 1.417 1.971 + 1457TIP3 H250041 -1.737 1.364 2.073 + 1457TIP3 OH250042 -1.164 1.399 2.135 + 1457TIP3 H150043 -1.147 1.394 2.040 + 1457TIP3 H250044 -1.208 1.314 2.153 + 1457TIP3 OH250045 -1.050 1.407 1.719 + 1457TIP3 H150046 -1.131 1.457 1.699 + 1457TIP3 H250047 -1.085 1.316 1.732 + 1458TIP3 OH250048 -2.283 2.961 1.710 + 1458TIP3 H150049 -2.340 2.949 1.633 + 1458TIP3 H250050 -2.276 3.057 1.713 + 1458TIP3 OH250051 -2.124 1.548 1.432 + 1458TIP3 H150052 -2.065 1.491 1.380 + 1458TIP3 H250053 -2.062 1.582 1.500 + 1458TIP3 OH250054 -1.620 1.559 1.695 + 1458TIP3 H150055 -1.578 1.502 1.761 + 1458TIP3 H250056 -1.591 1.646 1.726 + 1458TIP3 OH250057 -1.409 3.141 1.519 + 1458TIP3 H150058 -1.312 3.141 1.515 + 1458TIP3 H250059 -1.429 3.073 1.452 + 1458TIP3 OH250060 -0.758 3.046 1.778 + 1458TIP3 H150061 -0.780 2.959 1.737 + 1458TIP3 H250062 -0.764 3.105 1.701 + 1458TIP3 OH250063 -2.195 1.438 2.953 + 1458TIP3 H150064 -2.236 1.360 2.993 + 1458TIP3 H250065 -2.104 1.429 2.985 + 1458TIP3 OH250066 -1.957 1.378 3.130 + 1458TIP3 H150067 -1.875 1.340 3.090 + 1458TIP3 H250068 -1.993 1.299 3.174 + 1458TIP3 OH250069 -2.138 3.048 1.388 + 1458TIP3 H150070 -2.151 3.083 1.477 + 1458TIP3 H250071 -2.054 2.999 1.396 + 1458TIP3 OH250072 -1.148 1.289 3.145 + 1458TIP3 H150073 -1.146 1.248 3.234 + 1458TIP3 H250074 -1.053 1.285 3.121 + 1458TIP3 OH250075 -0.809 2.922 3.016 + 1458TIP3 H150076 -0.882 2.903 2.954 + 1458TIP3 H250077 -0.827 3.016 3.036 + 1459TIP3 OH250078 0.611 2.290 2.030 + 1459TIP3 H150079 0.610 2.387 2.039 + 1459TIP3 H250080 0.536 2.276 1.972 + 1459TIP3 OH250081 0.494 2.235 2.338 + 1459TIP3 H150082 0.495 2.178 2.416 + 1459TIP3 H250083 0.470 2.173 2.268 + 1459TIP3 OH250084 -0.258 2.194 2.506 + 1459TIP3 H150085 -0.256 2.119 2.567 + 1459TIP3 H250086 -0.183 2.247 2.537 + 1459TIP3 OH250087 0.864 2.510 2.169 + 1459TIP3 H150088 0.827 2.437 2.220 + 1459TIP3 H250089 0.893 2.569 2.239 + 1459TIP3 OH250090 -0.191 2.657 2.354 + 1459TIP3 H150091 -0.214 2.566 2.328 + 1459TIP3 H250092 -0.098 2.644 2.376 + 1459TIP3 OH250093 -0.494 1.999 1.896 + 1459TIP3 H150094 -0.536 2.087 1.895 + 1459TIP3 H250095 -0.559 1.946 1.849 + 1459TIP3 OH250096 -0.410 2.245 2.084 + 1459TIP3 H150097 -0.397 2.158 2.126 + 1459TIP3 H250098 -0.331 2.252 2.029 + 1459TIP3 OH250099 0.572 3.045 2.226 + 1459TIP3 H150100 0.629 2.974 2.192 + 1459TIP3 H250101 0.543 3.009 2.311 + 1459TIP3 OH250102 0.345 2.486 2.394 + 1459TIP3 H150103 0.376 2.413 2.337 + 1459TIP3 H250104 0.426 2.500 2.445 + 1459TIP3 OH250105 1.211 1.638 2.457 + 1459TIP3 H150106 1.237 1.699 2.528 + 1459TIP3 H250107 1.273 1.665 2.387 + 1460TIP3 OH250108 0.675 1.919 2.444 + 1460TIP3 H150109 0.688 1.823 2.451 + 1460TIP3 H250110 0.666 1.930 2.348 + 1460TIP3 OH250111 -0.032 1.720 2.153 + 1460TIP3 H150112 -0.014 1.804 2.107 + 1460TIP3 H250113 -0.063 1.666 2.078 + 1460TIP3 OH250114 0.757 1.737 1.984 + 1460TIP3 H150115 0.815 1.694 2.051 + 1460TIP3 H250116 0.823 1.780 1.928 + 1460TIP3 OH250117 -0.361 1.991 2.204 + 1460TIP3 H150118 -0.294 1.945 2.257 + 1460TIP3 H250119 -0.352 1.946 2.118 + 1460TIP3 OH250120 0.178 2.131 2.150 + 1460TIP3 H150121 0.250 2.077 2.188 + 1460TIP3 H250122 0.129 2.065 2.098 + 1460TIP3 OH250123 1.286 1.776 2.706 + 1460TIP3 H150124 1.226 1.846 2.677 + 1460TIP3 H250125 1.261 1.770 2.800 + 1460TIP3 OH250126 -0.156 1.595 2.571 + 1460TIP3 H150127 -0.188 1.645 2.495 + 1460TIP3 H250128 -0.214 1.626 2.642 + 1460TIP3 OH250129 0.603 2.577 1.907 + 1460TIP3 H150130 0.570 2.550 1.821 + 1460TIP3 H250131 0.554 2.659 1.925 + 1460TIP3 OH250132 0.146 2.388 2.581 + 1460TIP3 H150133 0.072 2.448 2.605 + 1460TIP3 H250134 0.208 2.448 2.536 + 1460TIP3 OH250135 0.939 1.662 2.187 + 1460TIP3 H150136 0.901 1.600 2.251 + 1460TIP3 H250137 0.993 1.720 2.244 + 1461TIP3 OH250138 -0.188 1.801 2.364 + 1461TIP3 H150139 -0.123 1.860 2.408 + 1461TIP3 H250140 -0.132 1.766 2.291 + 1461TIP3 OH250141 -0.057 2.574 2.652 + 1461TIP3 H150142 -0.060 2.667 2.622 + 1461TIP3 H250143 -0.143 2.568 2.697 + 1461TIP3 OH250144 -0.431 2.542 1.741 + 1461TIP3 H150145 -0.454 2.590 1.660 + 1461TIP3 H250146 -0.417 2.612 1.807 + 1461TIP3 OH250147 0.920 2.690 2.420 + 1461TIP3 H150148 0.823 2.701 2.421 + 1461TIP3 H250149 0.948 2.775 2.381 + 1461TIP3 OH250150 0.953 1.580 2.573 + 1461TIP3 H150151 0.875 1.615 2.525 + 1461TIP3 H250152 1.025 1.595 2.509 + 1461TIP3 OH250153 0.265 1.350 2.274 + 1461TIP3 H150154 0.246 1.254 2.271 + 1461TIP3 H250155 0.184 1.385 2.314 + 1461TIP3 OH250156 0.751 2.883 2.077 + 1461TIP3 H150157 0.798 2.803 2.046 + 1461TIP3 H250158 0.818 2.952 2.062 + 1461TIP3 OH250159 0.895 2.670 1.937 + 1461TIP3 H150160 0.844 2.623 1.870 + 1461TIP3 H250161 0.890 2.606 2.011 + 1461TIP3 OH250162 1.049 2.553 2.786 + 1461TIP3 H150163 1.039 2.486 2.715 + 1461TIP3 H250164 1.064 2.635 2.735 + 1461TIP3 OH250165 0.477 2.244 1.757 + 1461TIP3 H150166 0.410 2.301 1.714 + 1461TIP3 H250167 0.548 2.245 1.690 + 1462TIP3 OH250168 0.503 2.062 1.463 + 1462TIP3 H150169 0.575 2.092 1.521 + 1462TIP3 H250170 0.552 2.004 1.403 + 1462TIP3 OH250171 1.225 2.169 2.580 + 1462TIP3 H150172 1.154 2.235 2.588 + 1462TIP3 H250173 1.274 2.203 2.503 + 1462TIP3 OH250174 0.828 2.243 1.864 + 1462TIP3 H150175 0.759 2.263 1.931 + 1462TIP3 H250176 0.888 2.186 1.915 + 1462TIP3 OH250177 0.811 2.096 2.748 + 1462TIP3 H150178 0.816 2.178 2.799 + 1462TIP3 H250179 0.746 2.123 2.681 + 1462TIP3 OH250180 -0.014 2.319 2.041 + 1462TIP3 H150181 -0.045 2.276 1.959 + 1462TIP3 H250182 0.051 2.255 2.074 + 1462TIP3 OH250183 0.124 2.661 2.314 + 1462TIP3 H150184 0.112 2.620 2.227 + 1462TIP3 H250185 0.203 2.614 2.348 + 1462TIP3 OH250186 0.044 2.201 2.391 + 1462TIP3 H150187 0.101 2.201 2.311 + 1462TIP3 H250188 0.087 2.266 2.448 + 1462TIP3 OH250189 0.638 2.753 2.448 + 1462TIP3 H150190 0.643 2.818 2.520 + 1462TIP3 H250191 0.617 2.670 2.494 + 1462TIP3 OH250192 0.130 2.633 2.872 + 1462TIP3 H150193 0.078 2.698 2.922 + 1462TIP3 H250194 0.066 2.605 2.804 + 1462TIP3 OH250195 0.723 2.188 1.608 + 1462TIP3 H150196 0.772 2.215 1.689 + 1462TIP3 H250197 0.772 2.239 1.538 + 1463TIP3 OH250198 -0.178 2.277 2.784 + 1463TIP3 H150199 -0.172 2.331 2.865 + 1463TIP3 H250200 -0.273 2.261 2.777 + 1463TIP3 OH250201 0.468 2.847 1.965 + 1463TIP3 H150202 0.516 2.875 2.044 + 1463TIP3 H250203 0.419 2.926 1.939 + 1463TIP3 OH250204 -0.061 2.853 2.956 + 1463TIP3 H150205 -0.071 2.854 2.859 + 1463TIP3 H250206 -0.149 2.823 2.987 + 1463TIP3 OH250207 1.086 1.341 1.559 + 1463TIP3 H150208 0.997 1.344 1.597 + 1463TIP3 H250209 1.116 1.432 1.568 + 1463TIP3 OH250210 -0.124 2.196 1.798 + 1463TIP3 H150211 -0.142 2.270 1.738 + 1463TIP3 H250212 -0.185 2.128 1.766 + 1463TIP3 OH250213 1.204 2.775 1.412 + 1463TIP3 H150214 1.220 2.868 1.437 + 1463TIP3 H250215 1.291 2.734 1.431 + 1463TIP3 OH250216 -0.515 2.463 2.667 + 1463TIP3 H150217 -0.560 2.464 2.580 + 1463TIP3 H250218 -0.502 2.367 2.682 + 1463TIP3 OH250219 -0.509 2.757 2.359 + 1463TIP3 H150220 -0.418 2.723 2.363 + 1463TIP3 H250221 -0.512 2.813 2.438 + 1463TIP3 OH250222 1.329 2.813 2.937 + 1463TIP3 H150223 1.319 2.718 2.919 + 1463TIP3 H250224 1.238 2.837 2.965 + 1463TIP3 OH250225 0.393 2.738 2.816 + 1463TIP3 H150226 0.401 2.820 2.870 + 1463TIP3 H250227 0.303 2.707 2.840 + 1464TIP3 OH250228 0.419 3.120 1.816 + 1464TIP3 H150229 0.422 3.126 1.719 + 1464TIP3 H250230 0.430 3.212 1.843 + 1464TIP3 OH250231 -0.199 3.034 1.978 + 1464TIP3 H150232 -0.183 2.987 2.062 + 1464TIP3 H250233 -0.279 2.990 1.946 + 1464TIP3 OH250234 0.753 3.061 1.533 + 1464TIP3 H150235 0.810 2.996 1.488 + 1464TIP3 H250236 0.747 3.023 1.623 + 1464TIP3 OH250237 0.691 3.005 1.814 + 1464TIP3 H150238 0.595 3.014 1.827 + 1464TIP3 H250239 0.709 2.931 1.875 + 1464TIP3 OH250240 1.007 1.952 2.978 + 1464TIP3 H150241 0.956 1.990 2.906 + 1464TIP3 H250242 1.012 1.858 2.951 + 1464TIP3 OH250243 -0.298 2.617 2.794 + 1464TIP3 H150244 -0.268 2.568 2.873 + 1464TIP3 H250245 -0.369 2.560 2.757 + 1464TIP3 OH250246 0.023 1.461 2.368 + 1464TIP3 H150247 -0.059 1.460 2.315 + 1464TIP3 H250248 0.005 1.537 2.427 + 1464TIP3 OH250249 0.460 1.417 2.723 + 1464TIP3 H150250 0.515 1.374 2.792 + 1464TIP3 H250251 0.370 1.391 2.750 + 1464TIP3 OH250252 0.775 1.799 2.789 + 1464TIP3 H150253 0.714 1.785 2.864 + 1464TIP3 H250254 0.767 1.894 2.772 + 1464TIP3 OH250255 0.874 2.295 1.400 + 1464TIP3 H150256 0.856 2.270 1.307 + 1464TIP3 H250257 0.969 2.316 1.396 + 1465TIP3 OH250258 0.444 1.676 1.465 + 1465TIP3 H150259 0.395 1.660 1.547 + 1465TIP3 H250260 0.401 1.611 1.406 + 1465TIP3 OH250261 0.007 1.941 2.506 + 1465TIP3 H150262 -0.041 1.957 2.589 + 1465TIP3 H250263 0.019 2.033 2.472 + 1465TIP3 OH250264 0.004 1.950 1.997 + 1465TIP3 H150265 -0.092 1.939 1.979 + 1465TIP3 H250266 0.040 1.929 1.908 + 1465TIP3 OH250267 0.565 2.006 1.875 + 1465TIP3 H150268 0.525 2.088 1.840 + 1465TIP3 H250269 0.633 1.988 1.808 + 1465TIP3 OH250270 0.492 2.036 3.003 + 1465TIP3 H150271 0.439 1.962 3.040 + 1465TIP3 H250272 0.579 2.019 3.043 + 1465TIP3 OH250273 0.650 1.946 2.152 + 1465TIP3 H150274 0.621 2.002 2.078 + 1465TIP3 H250275 0.672 1.864 2.103 + 1465TIP3 OH250276 -0.268 1.961 2.701 + 1465TIP3 H150277 -0.212 1.987 2.777 + 1465TIP3 H250278 -0.295 1.871 2.726 + 1465TIP3 OH250279 0.087 1.721 1.352 + 1465TIP3 H150280 0.051 1.683 1.434 + 1465TIP3 H250281 0.007 1.733 1.299 + 1465TIP3 OH250282 -0.572 1.701 2.056 + 1465TIP3 H150283 -0.505 1.697 2.126 + 1465TIP3 H250284 -0.527 1.664 1.977 + 1465TIP3 OH250285 -0.409 1.748 1.628 + 1465TIP3 H150286 -0.357 1.795 1.560 + 1465TIP3 H250287 -0.483 1.809 1.645 + 1466TIP3 OH250288 0.560 2.113 2.599 + 1466TIP3 H150289 0.604 2.041 2.548 + 1466TIP3 H250290 0.528 2.064 2.676 + 1466TIP3 OH250291 0.281 1.711 2.100 + 1466TIP3 H150292 0.187 1.701 2.122 + 1466TIP3 H250293 0.323 1.687 2.185 + 1466TIP3 OH250294 -0.264 1.831 1.967 + 1466TIP3 H150295 -0.345 1.855 1.920 + 1466TIP3 H250296 -0.234 1.751 1.920 + 1466TIP3 OH250297 0.101 1.869 1.738 + 1466TIP3 H150298 0.198 1.871 1.741 + 1466TIP3 H250299 0.078 1.925 1.663 + 1466TIP3 OH250300 0.719 1.623 2.403 + 1466TIP3 H150301 0.654 1.622 2.477 + 1466TIP3 H250302 0.663 1.589 2.331 + 1466TIP3 OH250303 -0.057 1.993 1.510 + 1466TIP3 H150304 -0.111 1.958 1.438 + 1466TIP3 H250305 0.027 2.009 1.464 + 1466TIP3 OH250306 1.019 3.201 3.068 + 1466TIP3 H150307 1.043 3.245 2.985 + 1466TIP3 H250308 1.090 3.231 3.127 + 1466TIP3 OH250309 -0.190 2.463 3.010 + 1466TIP3 H150310 -0.120 2.469 3.080 + 1466TIP3 H250311 -0.269 2.462 3.068 + 1466TIP3 OH250312 0.382 1.963 2.283 + 1466TIP3 H150313 0.455 1.919 2.236 + 1466TIP3 H250314 0.366 1.901 2.357 + 1466TIP3 OH250315 -0.091 1.600 1.903 + 1466TIP3 H150316 -0.145 1.520 1.910 + 1466TIP3 H250317 -0.010 1.567 1.862 + 1467TIP3 OH250318 0.280 1.809 2.505 + 1467TIP3 H150319 0.202 1.866 2.510 + 1467TIP3 H250320 0.329 1.831 2.587 + 1467TIP3 OH250321 0.290 2.451 1.696 + 1467TIP3 H150322 0.217 2.396 1.661 + 1467TIP3 H250323 0.274 2.450 1.793 + 1467TIP3 OH250324 1.015 2.365 2.571 + 1467TIP3 H150325 1.066 2.418 2.505 + 1467TIP3 H250326 0.930 2.352 2.524 + 1467TIP3 OH250327 0.716 1.722 1.466 + 1467TIP3 H150328 0.618 1.721 1.464 + 1467TIP3 H250329 0.736 1.796 1.526 + 1467TIP3 OH250330 0.458 2.449 2.828 + 1467TIP3 H150331 0.428 2.415 2.913 + 1467TIP3 H250332 0.427 2.541 2.829 + 1467TIP3 OH250333 0.775 1.910 1.677 + 1467TIP3 H150334 0.863 1.894 1.717 + 1467TIP3 H250335 0.787 1.997 1.634 + 1467TIP3 OH250336 -0.191 2.388 2.279 + 1467TIP3 H150337 -0.138 2.376 2.198 + 1467TIP3 H250338 -0.182 2.300 2.320 + 1467TIP3 OH250339 0.533 2.584 1.588 + 1467TIP3 H150340 0.507 2.669 1.629 + 1467TIP3 H250341 0.459 2.527 1.616 + 1467TIP3 OH250342 -0.478 2.218 2.814 + 1467TIP3 H150343 -0.443 2.167 2.890 + 1467TIP3 H250344 -0.522 2.152 2.759 + 1467TIP3 OH250345 0.232 2.170 2.998 + 1467TIP3 H150346 0.201 2.139 2.911 + 1467TIP3 H250347 0.324 2.137 2.996 + 1468TIP3 OH250348 0.685 2.712 2.774 + 1468TIP3 H150349 0.588 2.715 2.769 + 1468TIP3 H250350 0.700 2.732 2.868 + 1468TIP3 OH250351 1.237 1.911 1.653 + 1468TIP3 H150352 1.181 1.890 1.577 + 1468TIP3 H250353 1.247 2.008 1.638 + 1468TIP3 OH250354 1.284 2.520 2.932 + 1468TIP3 H150355 1.189 2.539 2.913 + 1468TIP3 H250356 1.316 2.497 2.843 + 1468TIP3 OH250357 1.058 2.774 1.663 + 1468TIP3 H150358 1.034 2.696 1.716 + 1468TIP3 H250359 1.111 2.736 1.592 + 1468TIP3 OH250360 0.781 2.307 2.400 + 1468TIP3 H150361 0.688 2.290 2.376 + 1468TIP3 H250362 0.826 2.235 2.352 + 1468TIP3 OH250363 0.044 2.715 2.005 + 1468TIP3 H150364 0.087 2.800 1.991 + 1468TIP3 H250365 -0.047 2.734 1.979 + 1468TIP3 OH250366 -0.359 2.199 1.474 + 1468TIP3 H150367 -0.301 2.266 1.515 + 1468TIP3 H250368 -0.445 2.223 1.512 + 1468TIP3 OH250369 0.229 2.484 1.968 + 1468TIP3 H150370 0.196 2.575 1.981 + 1468TIP3 H250371 0.158 2.432 2.010 + 1468TIP3 OH250372 0.244 2.911 2.603 + 1468TIP3 H150373 0.302 2.984 2.574 + 1468TIP3 H250374 0.306 2.859 2.658 + 1468TIP3 OH250375 0.089 3.005 1.927 + 1468TIP3 H150376 -0.007 3.019 1.934 + 1468TIP3 H250377 0.124 3.093 1.949 + 1469TIP3 OH250378 0.586 2.486 2.559 + 1469TIP3 H150379 0.557 2.456 2.647 + 1469TIP3 H250380 0.659 2.424 2.540 + 1469TIP3 OH250381 0.803 2.619 1.452 + 1469TIP3 H150382 0.845 2.570 1.526 + 1469TIP3 H250383 0.710 2.601 1.474 + 1469TIP3 OH250384 0.880 2.942 2.799 + 1469TIP3 H150385 0.805 2.895 2.758 + 1469TIP3 H250386 0.889 3.020 2.741 + 1469TIP3 OH250387 1.276 3.042 1.505 + 1469TIP3 H150388 1.346 3.106 1.483 + 1469TIP3 H250389 1.199 3.101 1.504 + 1469TIP3 OH250390 -0.379 1.693 2.770 + 1469TIP3 H150391 -0.437 1.671 2.696 + 1469TIP3 H250392 -0.359 1.605 2.807 + 1469TIP3 OH250393 0.900 2.477 1.689 + 1469TIP3 H150394 0.872 2.404 1.747 + 1469TIP3 H250395 0.997 2.473 1.698 + 1469TIP3 OH250396 -0.360 2.855 2.607 + 1469TIP3 H150397 -0.330 2.764 2.620 + 1469TIP3 H250398 -0.335 2.894 2.692 + 1469TIP3 OH250399 0.226 2.721 1.309 + 1469TIP3 H150400 0.254 2.642 1.259 + 1469TIP3 H250401 0.184 2.680 1.387 + 1469TIP3 OH250402 0.110 2.672 1.579 + 1469TIP3 H150403 0.162 2.617 1.640 + 1469TIP3 H250404 0.126 2.762 1.613 + 1469TIP3 OH250405 -0.206 2.420 1.621 + 1469TIP3 H150406 -0.280 2.456 1.674 + 1469TIP3 H250407 -0.160 2.501 1.595 + 1470TIP3 OH250408 0.559 1.664 2.622 + 1470TIP3 H150409 0.622 1.685 2.693 + 1470TIP3 H250410 0.511 1.587 2.658 + 1470TIP3 OH250411 0.627 1.605 1.746 + 1470TIP3 H150412 0.643 1.658 1.667 + 1470TIP3 H250413 0.673 1.656 1.814 + 1470TIP3 OH250414 0.408 2.839 1.644 + 1470TIP3 H150415 0.323 2.884 1.657 + 1470TIP3 H250416 0.441 2.880 1.563 + 1470TIP3 OH250417 0.367 1.805 1.842 + 1470TIP3 H150418 0.443 1.865 1.855 + 1470TIP3 H250419 0.338 1.789 1.933 + 1470TIP3 OH250420 0.400 1.897 2.759 + 1470TIP3 H150421 0.411 1.949 2.841 + 1470TIP3 H250422 0.452 1.818 2.780 + 1470TIP3 OH250423 0.426 1.509 1.934 + 1470TIP3 H150424 0.407 1.578 2.001 + 1470TIP3 H250425 0.500 1.550 1.885 + 1470TIP3 OH250426 0.127 2.942 1.642 + 1470TIP3 H150427 0.119 3.023 1.588 + 1470TIP3 H250428 0.113 2.977 1.732 + 1470TIP3 OH250429 -0.000 1.608 1.589 + 1470TIP3 H150430 -0.003 1.683 1.650 + 1470TIP3 H250431 0.080 1.561 1.617 + 1470TIP3 OH250432 1.031 1.700 2.846 + 1470TIP3 H150433 0.934 1.711 2.833 + 1470TIP3 H250434 1.054 1.675 2.755 + 1470TIP3 OH250435 0.882 2.083 2.249 + 1470TIP3 H150436 0.800 2.037 2.221 + 1470TIP3 H250437 0.930 2.011 2.295 + 1471TIP3 OH250438 -0.162 2.698 1.495 + 1471TIP3 H150439 -0.086 2.744 1.535 + 1471TIP3 H250440 -0.115 2.647 1.428 + 1471TIP3 OH250441 -0.349 1.916 1.391 + 1471TIP3 H150442 -0.337 2.004 1.429 + 1471TIP3 H250443 -0.444 1.908 1.384 + 1471TIP3 OH250444 0.982 2.970 2.387 + 1471TIP3 H150445 0.967 3.052 2.337 + 1471TIP3 H250446 1.075 2.981 2.413 + 1471TIP3 OH250447 -0.264 1.421 2.284 + 1471TIP3 H150448 -0.273 1.413 2.187 + 1471TIP3 H250449 -0.288 1.332 2.314 + 1471TIP3 OH250450 -0.364 2.767 1.914 + 1471TIP3 H150451 -0.445 2.816 1.936 + 1471TIP3 H250452 -0.329 2.818 1.839 + 1471TIP3 OH250453 -0.426 3.059 3.028 + 1471TIP3 H150454 -0.367 3.031 3.101 + 1471TIP3 H250455 -0.464 2.973 3.000 + 1471TIP3 OH250456 0.042 2.965 3.207 + 1471TIP3 H150457 0.112 2.902 3.228 + 1471TIP3 H250458 0.021 2.938 3.116 + 1471TIP3 OH250459 0.448 2.890 1.360 + 1471TIP3 H150460 0.373 2.828 1.348 + 1471TIP3 H250461 0.520 2.836 1.322 + 1471TIP3 OH250462 0.690 2.793 3.066 + 1471TIP3 H150463 0.652 2.711 3.102 + 1471TIP3 H250464 0.760 2.813 3.130 + 1471TIP3 OH250465 0.912 2.883 1.370 + 1471TIP3 H150466 0.924 2.800 1.420 + 1471TIP3 H250467 0.992 2.883 1.314 + 1472TIP3 OH250468 -0.432 2.423 3.141 + 1472TIP3 H150469 -0.418 2.333 3.109 + 1472TIP3 H250470 -0.507 2.452 3.086 + 1472TIP3 OH250471 -0.011 2.463 1.338 + 1472TIP3 H150472 0.005 2.405 1.414 + 1472TIP3 H250473 0.077 2.460 1.295 + 1472TIP3 OH250474 0.232 2.441 3.075 + 1472TIP3 H150475 0.203 2.472 2.988 + 1472TIP3 H250476 0.240 2.344 3.061 + 1472TIP3 OH250477 0.515 2.597 1.304 + 1472TIP3 H150478 0.511 2.590 1.401 + 1472TIP3 H250479 0.511 2.501 1.281 + 1472TIP3 OH250480 0.770 2.402 2.814 + 1472TIP3 H150481 0.848 2.455 2.793 + 1472TIP3 H250482 0.700 2.470 2.811 + 1472TIP3 OH250483 -0.340 2.132 3.055 + 1472TIP3 H150484 -0.264 2.071 3.057 + 1472TIP3 H250485 -0.346 2.154 3.149 + 1472TIP3 OH250486 0.101 2.272 1.576 + 1472TIP3 H150487 0.039 2.220 1.630 + 1472TIP3 H250488 0.131 2.205 1.512 + 1472TIP3 OH250489 0.014 2.050 2.789 + 1472TIP3 H150490 -0.029 2.132 2.821 + 1472TIP3 H250491 0.089 2.086 2.738 + 1472TIP3 OH250492 0.196 2.073 1.403 + 1472TIP3 H150493 0.194 2.082 1.306 + 1472TIP3 H250494 0.292 2.068 1.419 + 1472TIP3 OH250495 0.554 2.322 3.160 + 1472TIP3 H150496 0.643 2.300 3.126 + 1472TIP3 H250497 0.526 2.236 3.195 + 1473TIP3 OH250498 1.146 2.322 1.330 + 1473TIP3 H150499 1.129 2.284 1.242 + 1473TIP3 H250500 1.137 2.417 1.309 + 1473TIP3 OH250501 0.060 1.775 2.912 + 1473TIP3 H150502 0.090 1.705 2.852 + 1473TIP3 H250503 0.066 1.854 2.856 + 1473TIP3 OH250504 0.115 1.624 2.662 + 1473TIP3 H150505 0.173 1.666 2.595 + 1473TIP3 H250506 0.027 1.626 2.621 + 1473TIP3 OH250507 0.266 2.168 2.700 + 1473TIP3 H150508 0.351 2.158 2.654 + 1473TIP3 H250509 0.239 2.257 2.669 + 1473TIP3 OH250510 0.730 1.964 3.182 + 1473TIP3 H150511 0.747 1.869 3.188 + 1473TIP3 H250512 0.820 1.999 3.174 + 1473TIP3 OH250513 0.823 2.242 3.029 + 1473TIP3 H150514 0.789 2.303 2.959 + 1473TIP3 H250515 0.912 2.225 2.993 + 1473TIP3 OH250516 -0.108 1.957 3.086 + 1473TIP3 H150517 -0.162 1.877 3.096 + 1473TIP3 H250518 -0.025 1.921 3.052 + 1473TIP3 OH250519 0.190 1.339 2.695 + 1473TIP3 H150520 0.167 1.430 2.720 + 1473TIP3 H250521 0.111 1.308 2.650 + 1473TIP3 OH250522 0.307 1.839 3.079 + 1473TIP3 H150523 0.294 1.792 3.164 + 1473TIP3 H250524 0.243 1.791 3.025 + 1473TIP3 OH250525 0.560 1.722 2.970 + 1473TIP3 H150526 0.469 1.710 3.002 + 1473TIP3 H250527 0.606 1.654 3.022 + 1474TIP3 OH250528 0.758 1.569 3.134 + 1474TIP3 H150529 0.734 1.475 3.143 + 1474TIP3 H250530 0.727 1.608 3.218 + 1474TIP3 OH250531 -0.282 1.718 3.078 + 1474TIP3 H150532 -0.252 1.650 3.017 + 1474TIP3 H250533 -0.275 1.674 3.165 + 1474TIP3 OH250534 0.171 3.198 1.512 + 1474TIP3 H150535 0.267 3.207 1.521 + 1474TIP3 H250536 0.158 3.241 1.426 + 1474TIP3 OH250537 -0.439 2.639 1.464 + 1474TIP3 H150538 -0.343 2.656 1.480 + 1474TIP3 H250539 -0.435 2.559 1.407 + 1474TIP3 OH250540 -0.540 3.157 1.939 + 1474TIP3 H150541 -0.610 3.118 1.883 + 1474TIP3 H250542 -0.528 3.087 2.006 + 1474TIP3 OH250543 -0.500 2.959 2.137 + 1474TIP3 H150544 -0.528 2.871 2.166 + 1474TIP3 H250545 -0.463 2.992 2.220 + 1474TIP3 OH250546 1.255 3.091 2.438 + 1474TIP3 H150547 1.273 3.080 2.533 + 1474TIP3 H250548 1.343 3.112 2.404 + 1474TIP3 OH250549 1.246 3.030 2.725 + 1474TIP3 H150550 1.193 2.955 2.690 + 1474TIP3 H250551 1.302 2.982 2.788 + 1474TIP3 OH250552 1.045 2.573 3.153 + 1474TIP3 H150553 0.957 2.579 3.194 + 1474TIP3 H250554 1.090 2.652 3.186 + 1474TIP3 OH250555 1.185 2.463 1.728 + 1474TIP3 H150556 1.276 2.494 1.745 + 1474TIP3 H250557 1.176 2.398 1.800 + 1475TIP3 OH250558 1.229 2.262 1.925 + 1475TIP3 H150559 1.164 2.202 1.968 + 1475TIP3 H250560 1.300 2.269 1.992 + 1475TIP3 OH250561 1.203 2.508 2.422 + 1475TIP3 H150562 1.265 2.457 2.368 + 1475TIP3 H250563 1.219 2.599 2.391 + 1475TIP3 OH250564 1.076 2.803 2.646 + 1475TIP3 H150565 1.002 2.838 2.698 + 1475TIP3 H250566 1.030 2.763 2.569 + 1475TIP3 OH250567 1.257 2.202 1.582 + 1475TIP3 H150568 1.206 2.230 1.504 + 1475TIP3 H250569 1.243 2.278 1.642 + 1475TIP3 OH250570 1.082 1.954 1.405 + 1475TIP3 H150571 1.113 2.012 1.334 + 1475TIP3 H250572 1.060 1.872 1.357 + 1475TIP3 OH250573 1.023 2.072 2.006 + 1475TIP3 H150574 1.018 1.976 1.990 + 1475TIP3 H250575 0.986 2.080 2.096 + 1475TIP3 OH250576 -0.491 2.291 2.376 + 1475TIP3 H150577 -0.467 2.297 2.282 + 1475TIP3 H250578 -0.403 2.271 2.415 + 1475TIP3 OH250579 1.085 2.265 2.922 + 1475TIP3 H150580 1.158 2.202 2.936 + 1475TIP3 H250581 1.132 2.347 2.902 + 1475TIP3 OH250582 1.239 2.074 3.046 + 1475TIP3 H150583 1.161 2.021 3.021 + 1475TIP3 H250584 1.311 2.008 3.040 + 1475TIP3 OH250585 1.037 1.685 1.316 + 1475TIP3 H150586 1.088 1.641 1.387 + 1475TIP3 H250587 0.953 1.635 1.316 + 1476TIP3 OH250588 1.010 1.821 1.825 + 1476TIP3 H150589 1.034 1.726 1.829 + 1476TIP3 H250590 1.091 1.857 1.784 + 1476TIP3 OH250591 1.035 1.884 2.368 + 1476TIP3 H150592 1.132 1.892 2.365 + 1476TIP3 H250593 1.020 1.883 2.464 + 1476TIP3 OH250594 1.051 1.951 2.651 + 1476TIP3 H150595 0.966 1.990 2.677 + 1476TIP3 H250596 1.104 2.031 2.628 + 1476TIP3 OH250597 1.308 1.368 3.180 + 1476TIP3 H150598 1.348 1.298 3.125 + 1476TIP3 H250599 1.310 1.444 3.119 + 1476TIP3 OH250600 1.059 1.542 1.821 + 1476TIP3 H150601 1.068 1.507 1.912 + 1476TIP3 H250602 0.984 1.490 1.787 + 1476TIP3 OH250603 -0.426 1.660 2.306 + 1476TIP3 H150604 -0.378 1.575 2.300 + 1476TIP3 H250605 -0.352 1.720 2.329 + 1476TIP3 OH250606 -0.565 1.926 2.412 + 1476TIP3 H150607 -0.511 1.918 2.331 + 1476TIP3 H250608 -0.531 2.009 2.448 + 1476TIP3 OH250609 1.244 1.572 3.003 + 1476TIP3 H150610 1.156 1.614 3.008 + 1476TIP3 H250611 1.233 1.516 2.924 + 1476TIP3 OH250612 1.252 1.599 1.495 + 1476TIP3 H150613 1.281 1.518 1.452 + 1476TIP3 H250614 1.336 1.648 1.502 + 1476TIP3 OH250615 -0.517 1.567 1.817 + 1476TIP3 H150616 -0.606 1.553 1.783 + 1476TIP3 H250617 -0.469 1.600 1.738 + 1477TIP3 OH250618 0.944 3.094 2.018 + 1477TIP3 H150619 0.989 3.065 1.937 + 1477TIP3 H250620 1.018 3.124 2.071 + 1477TIP3 OH250621 -0.516 1.472 2.636 + 1477TIP3 H150622 -0.576 1.404 2.667 + 1477TIP3 H250623 -0.564 1.507 2.557 + 1477TIP3 OH250624 -0.315 2.761 3.090 + 1477TIP3 H150625 -0.388 2.757 3.026 + 1477TIP3 H250626 -0.362 2.757 3.175 + 1477TIP3 OH250627 -0.032 2.859 2.657 + 1477TIP3 H150628 -0.061 2.945 2.622 + 1477TIP3 H250629 0.064 2.867 2.641 + 1477TIP3 OH250630 0.419 2.991 2.959 + 1477TIP3 H150631 0.434 2.972 3.053 + 1477TIP3 H250632 0.503 3.034 2.934 + 1477TIP3 OH250633 0.649 3.136 2.882 + 1477TIP3 H150634 0.717 3.071 2.859 + 1477TIP3 H250635 0.679 3.165 2.970 + 1477TIP3 OH250636 1.133 1.395 2.801 + 1477TIP3 H150637 1.051 1.414 2.751 + 1477TIP3 H250638 1.154 1.305 2.769 + 1477TIP3 OH250639 -0.294 3.155 2.690 + 1477TIP3 H150640 -0.354 3.218 2.646 + 1477TIP3 H250641 -0.328 3.158 2.781 + 1477TIP3 OH250642 -0.044 3.132 2.547 + 1477TIP3 H150643 -0.130 3.149 2.590 + 1477TIP3 H250644 -0.042 3.200 2.477 + 1477TIP3 OH250645 0.429 3.131 2.502 + 1477TIP3 H150646 0.392 3.175 2.424 + 1477TIP3 H250647 0.438 3.205 2.565 + 1478TIP3 OH250648 0.664 3.003 2.594 + 1478TIP3 H150649 0.579 3.038 2.560 + 1478TIP3 H250650 0.720 3.082 2.592 + 1478TIP3 OH250651 0.917 3.176 2.613 + 1478TIP3 H150652 0.913 3.271 2.589 + 1478TIP3 H250653 0.945 3.137 2.528 + 1478TIP3 OH250654 -0.336 3.034 2.385 + 1478TIP3 H150655 -0.338 2.984 2.470 + 1478TIP3 H250656 -0.261 2.990 2.341 + 1478TIP3 OH250657 -0.135 2.910 2.231 + 1478TIP3 H150658 -0.149 2.816 2.254 + 1478TIP3 H250659 -0.043 2.924 2.260 + 1478TIP3 OH250660 0.142 2.956 2.318 + 1478TIP3 H150661 0.161 2.863 2.294 + 1478TIP3 H250662 0.149 2.951 2.414 + 1478TIP3 OH250663 0.473 1.546 2.246 + 1478TIP3 H150664 0.405 1.477 2.263 + 1478TIP3 H250665 0.534 1.498 2.188 + 1478TIP3 OH250666 0.970 1.348 2.294 + 1478TIP3 H150667 1.046 1.390 2.250 + 1478TIP3 H250668 0.895 1.375 2.238 + 1478TIP3 OH250669 1.178 1.457 2.085 + 1478TIP3 H150670 1.245 1.411 2.030 + 1478TIP3 H250671 1.213 1.548 2.087 + 1478TIP3 OH250672 -0.294 1.394 2.006 + 1478TIP3 H150673 -0.377 1.392 1.954 + 1478TIP3 H250674 -0.255 1.308 1.981 + 1478TIP3 OH250675 0.155 1.402 1.992 + 1478TIP3 H150676 0.248 1.426 1.975 + 1478TIP3 H250677 0.157 1.387 2.087 + 1479TIP3 OH250678 0.718 1.401 2.134 + 1479TIP3 H150679 0.742 1.384 2.042 + 1479TIP3 H250680 0.677 1.316 2.159 + 1479TIP3 OH250681 0.830 1.395 1.722 + 1479TIP3 H150682 0.748 1.447 1.709 + 1479TIP3 H250683 0.793 1.307 1.744 + 1479TIP3 OH250684 -0.391 2.961 1.709 + 1479TIP3 H150685 -0.454 2.947 1.637 + 1479TIP3 H250686 -0.393 3.057 1.715 + 1479TIP3 OH250687 -0.239 1.574 1.414 + 1479TIP3 H150688 -0.203 1.489 1.383 + 1479TIP3 H250689 -0.193 1.582 1.499 + 1479TIP3 OH250690 0.270 1.563 1.696 + 1479TIP3 H150691 0.305 1.505 1.766 + 1479TIP3 H250692 0.291 1.649 1.734 + 1479TIP3 OH250693 0.477 3.144 1.519 + 1479TIP3 H150694 0.574 3.144 1.515 + 1479TIP3 H250695 0.456 3.078 1.452 + 1479TIP3 OH250696 1.125 3.046 1.778 + 1479TIP3 H150697 1.104 2.961 1.735 + 1479TIP3 H250698 1.125 3.106 1.702 + 1479TIP3 OH250699 -0.316 1.434 2.953 + 1479TIP3 H150700 -0.345 1.349 2.991 + 1479TIP3 H250701 -0.222 1.433 2.982 + 1479TIP3 OH250702 -0.085 1.376 3.122 + 1479TIP3 H150703 0.011 1.374 3.104 + 1479TIP3 H250704 -0.097 1.290 3.166 + 1479TIP3 OH250705 -0.248 3.056 1.387 + 1479TIP3 H150706 -0.271 3.082 1.477 + 1479TIP3 H250707 -0.170 2.998 1.401 + 1480TIP3 OH250708 0.739 1.289 3.148 + 1480TIP3 H150709 0.746 1.249 3.236 + 1480TIP3 H250710 0.832 1.287 3.118 + 1480TIP3 OH250711 1.077 2.923 3.016 + 1480TIP3 H150712 1.004 2.902 2.955 + 1480TIP3 H250713 1.058 3.017 3.036 + 1480TIP3 OH250714 2.500 2.291 2.025 + 1480TIP3 H150715 2.495 2.386 2.043 + 1480TIP3 H250716 2.419 2.277 1.974 + 1480TIP3 OH250717 2.395 2.229 2.337 + 1480TIP3 H150718 2.367 2.191 2.421 + 1480TIP3 H250719 2.353 2.168 2.273 + 1480TIP3 OH250720 1.631 2.196 2.504 + 1480TIP3 H150721 1.631 2.122 2.567 + 1480TIP3 H250722 1.708 2.246 2.536 + 1480TIP3 OH250723 2.752 2.508 2.169 + 1480TIP3 H150724 2.711 2.437 2.220 + 1480TIP3 H250725 2.775 2.571 2.239 + 1480TIP3 OH250726 1.697 2.657 2.356 + 1480TIP3 H150727 1.672 2.565 2.333 + 1480TIP3 H250728 1.786 2.641 2.390 + 1480TIP3 OH250729 1.395 1.997 1.891 + 1480TIP3 H150730 1.353 2.084 1.900 + 1480TIP3 H250731 1.324 1.945 1.852 + 1480TIP3 OH250732 1.473 2.242 2.076 + 1480TIP3 H150733 1.488 2.160 2.127 + 1480TIP3 H250734 1.559 2.254 2.033 + 1480TIP3 OH250735 2.460 3.046 2.226 + 1480TIP3 H150736 2.516 2.973 2.193 + 1480TIP3 H250737 2.427 3.010 2.309 + 1481TIP3 OH250738 2.232 2.492 2.372 + 1481TIP3 H150739 2.266 2.411 2.331 + 1481TIP3 H250740 2.287 2.496 2.452 + 1481TIP3 OH250741 3.100 1.634 2.461 + 1481TIP3 H150742 3.121 1.700 2.529 + 1481TIP3 H250743 3.156 1.666 2.387 + 1481TIP3 OH250744 2.561 1.920 2.448 + 1481TIP3 H150745 2.570 1.824 2.450 + 1481TIP3 H250746 2.549 1.937 2.353 + 1481TIP3 OH250747 1.860 1.719 2.152 + 1481TIP3 H150748 1.870 1.806 2.107 + 1481TIP3 H250749 1.823 1.667 2.079 + 1481TIP3 OH250750 2.643 1.735 1.984 + 1481TIP3 H150751 2.703 1.694 2.050 + 1481TIP3 H250752 2.706 1.782 1.928 + 1481TIP3 OH250753 1.526 1.993 2.203 + 1481TIP3 H150754 1.589 1.946 2.260 + 1481TIP3 H250755 1.534 1.944 2.119 + 1481TIP3 OH250756 2.063 2.132 2.152 + 1481TIP3 H150757 2.131 2.076 2.194 + 1481TIP3 H250758 2.010 2.066 2.104 + 1481TIP3 OH250759 3.171 1.775 2.707 + 1481TIP3 H150760 3.113 1.847 2.677 + 1481TIP3 H250761 3.149 1.772 2.801 + 1481TIP3 OH250762 1.739 1.599 2.568 + 1481TIP3 H150763 1.698 1.648 2.496 + 1481TIP3 H250764 1.672 1.612 2.638 + 1481TIP3 OH250765 2.493 2.580 1.905 + 1481TIP3 H150766 2.452 2.549 1.824 + 1481TIP3 H250767 2.441 2.661 1.926 + 1482TIP3 OH250768 2.830 1.656 2.190 + 1482TIP3 H150769 2.779 1.607 2.255 + 1482TIP3 H250770 2.876 1.722 2.245 + 1482TIP3 OH250771 1.698 1.803 2.363 + 1482TIP3 H150772 1.761 1.862 2.409 + 1482TIP3 H250773 1.756 1.767 2.292 + 1482TIP3 OH250774 1.841 2.553 2.620 + 1482TIP3 H150775 1.844 2.649 2.612 + 1482TIP3 H250776 1.767 2.538 2.680 + 1482TIP3 OH250777 1.461 2.545 1.741 + 1482TIP3 H150778 1.441 2.596 1.661 + 1482TIP3 H250779 1.478 2.615 1.808 + 1482TIP3 OH250780 2.808 2.691 2.421 + 1482TIP3 H150781 2.711 2.698 2.425 + 1482TIP3 H250782 2.830 2.777 2.381 + 1482TIP3 OH250783 2.840 1.565 2.573 + 1482TIP3 H150784 2.763 1.610 2.534 + 1482TIP3 H250785 2.911 1.590 2.511 + 1482TIP3 OH250786 2.161 1.338 2.296 + 1482TIP3 H150787 2.126 1.248 2.282 + 1482TIP3 H250788 2.079 1.385 2.323 + 1482TIP3 OH250789 2.639 2.882 2.080 + 1482TIP3 H150790 2.685 2.803 2.045 + 1482TIP3 H250791 2.703 2.953 2.061 + 1482TIP3 OH250792 2.784 2.668 1.936 + 1482TIP3 H150793 2.727 2.625 1.871 + 1482TIP3 H250794 2.777 2.605 2.010 + 1482TIP3 OH250795 2.941 2.555 2.786 + 1482TIP3 H150796 2.924 2.487 2.718 + 1482TIP3 H250797 2.948 2.635 2.732 + 1483TIP3 OH250798 2.361 2.242 1.757 + 1483TIP3 H150799 2.294 2.302 1.719 + 1483TIP3 H250800 2.431 2.247 1.690 + 1483TIP3 OH250801 2.390 2.061 1.462 + 1483TIP3 H150802 2.460 2.092 1.521 + 1483TIP3 H250803 2.440 2.004 1.402 + 1483TIP3 OH250804 3.112 2.170 2.580 + 1483TIP3 H150805 3.038 2.234 2.588 + 1483TIP3 H250806 3.159 2.205 2.502 + 1483TIP3 OH250807 2.715 2.242 1.862 + 1483TIP3 H150808 2.644 2.265 1.928 + 1483TIP3 H250809 2.772 2.186 1.916 + 1483TIP3 OH250810 2.697 2.099 2.744 + 1483TIP3 H150811 2.698 2.183 2.792 + 1483TIP3 H250812 2.621 2.117 2.685 + 1483TIP3 OH250813 1.873 2.321 2.039 + 1483TIP3 H150814 1.842 2.274 1.959 + 1483TIP3 H250815 1.935 2.257 2.078 + 1483TIP3 OH250816 2.014 2.670 2.310 + 1483TIP3 H150817 1.998 2.616 2.231 + 1483TIP3 H250818 2.083 2.616 2.354 + 1483TIP3 OH250819 1.934 2.220 2.402 + 1483TIP3 H150820 1.997 2.222 2.329 + 1483TIP3 H250821 1.979 2.272 2.471 + 1483TIP3 OH250822 2.533 2.751 2.449 + 1483TIP3 H150823 2.528 2.814 2.523 + 1483TIP3 H250824 2.501 2.668 2.488 + 1483TIP3 OH250825 2.022 2.642 2.880 + 1483TIP3 H150826 1.957 2.704 2.917 + 1483TIP3 H250827 1.970 2.596 2.811 + 1484TIP3 OH250828 2.609 2.187 1.609 + 1484TIP3 H150829 2.655 2.215 1.691 + 1484TIP3 H250830 2.658 2.239 1.541 + 1484TIP3 OH250831 1.703 2.267 2.787 + 1484TIP3 H150832 1.714 2.326 2.864 + 1484TIP3 H250833 1.607 2.258 2.782 + 1484TIP3 OH250834 2.358 2.849 1.963 + 1484TIP3 H150835 2.397 2.875 2.047 + 1484TIP3 H250836 2.304 2.925 1.939 + 1484TIP3 OH250837 1.822 2.855 2.952 + 1484TIP3 H150838 1.814 2.850 2.855 + 1484TIP3 H250839 1.735 2.822 2.983 + 1484TIP3 OH250840 2.954 1.359 1.562 + 1484TIP3 H150841 2.864 1.369 1.598 + 1484TIP3 H250842 2.987 1.450 1.564 + 1484TIP3 OH250843 1.765 2.193 1.795 + 1484TIP3 H150844 1.743 2.268 1.738 + 1484TIP3 H250845 1.699 2.128 1.768 + 1484TIP3 OH250846 3.090 2.774 1.411 + 1484TIP3 H150847 3.105 2.868 1.436 + 1484TIP3 H250848 3.176 2.734 1.433 + 1484TIP3 OH250849 1.368 2.462 2.668 + 1484TIP3 H150850 1.327 2.460 2.580 + 1484TIP3 H250851 1.386 2.368 2.685 + 1484TIP3 OH250852 1.377 2.757 2.359 + 1484TIP3 H150853 1.467 2.722 2.364 + 1484TIP3 H250854 1.374 2.811 2.439 + 1484TIP3 OH250855 3.208 2.818 2.937 + 1484TIP3 H150856 3.205 2.723 2.915 + 1484TIP3 H250857 3.119 2.832 2.970 + 1485TIP3 OH250858 2.275 2.748 2.807 + 1485TIP3 H150859 2.278 2.824 2.867 + 1485TIP3 H250860 2.190 2.706 2.834 + 1485TIP3 OH250861 2.307 3.120 1.815 + 1485TIP3 H150862 2.308 3.128 1.718 + 1485TIP3 H250863 2.314 3.212 1.844 + 1485TIP3 OH250864 1.688 3.034 1.979 + 1485TIP3 H150865 1.704 2.986 2.063 + 1485TIP3 H250866 1.607 2.990 1.948 + 1485TIP3 OH250867 2.638 3.061 1.532 + 1485TIP3 H150868 2.695 2.995 1.488 + 1485TIP3 H250869 2.632 3.023 1.622 + 1485TIP3 OH250870 2.577 3.004 1.814 + 1485TIP3 H150871 2.481 3.016 1.827 + 1485TIP3 H250872 2.592 2.929 1.875 + 1485TIP3 OH250873 2.896 1.952 2.977 + 1485TIP3 H150874 2.838 1.990 2.909 + 1485TIP3 H250875 2.896 1.858 2.951 + 1485TIP3 OH250876 1.602 2.619 2.788 + 1485TIP3 H150877 1.632 2.569 2.867 + 1485TIP3 H250878 1.530 2.564 2.754 + 1485TIP3 OH250879 1.913 1.461 2.365 + 1485TIP3 H150880 1.829 1.456 2.314 + 1485TIP3 H250881 1.891 1.536 2.423 + 1485TIP3 OH250882 2.347 1.418 2.731 + 1485TIP3 H150883 2.392 1.368 2.802 + 1485TIP3 H250884 2.253 1.393 2.742 + 1485TIP3 OH250885 2.667 1.801 2.789 + 1485TIP3 H150886 2.600 1.785 2.858 + 1485TIP3 H250887 2.652 1.894 2.765 + 1486TIP3 OH250888 2.764 2.295 1.410 + 1486TIP3 H150889 2.743 2.278 1.316 + 1486TIP3 H250890 2.858 2.320 1.403 + 1486TIP3 OH250891 2.327 1.669 1.459 + 1486TIP3 H150892 2.275 1.657 1.540 + 1486TIP3 H250893 2.284 1.604 1.401 + 1486TIP3 OH250894 1.893 1.949 2.501 + 1486TIP3 H150895 1.846 1.959 2.586 + 1486TIP3 H250896 1.906 2.042 2.475 + 1486TIP3 OH250897 1.890 1.949 1.997 + 1486TIP3 H150898 1.794 1.940 1.981 + 1486TIP3 H250899 1.924 1.930 1.908 + 1486TIP3 OH250900 2.449 2.005 1.875 + 1486TIP3 H150901 2.408 2.088 1.843 + 1486TIP3 H250902 2.517 1.990 1.808 + 1486TIP3 OH250903 2.373 2.026 3.013 + 1486TIP3 H150904 2.318 1.953 3.046 + 1486TIP3 H250905 2.459 2.008 3.055 + 1486TIP3 OH250906 2.536 1.944 2.153 + 1486TIP3 H150907 2.505 2.004 2.082 + 1486TIP3 H250908 2.555 1.865 2.100 + 1486TIP3 OH250909 1.623 1.959 2.694 + 1486TIP3 H150910 1.663 1.989 2.776 + 1486TIP3 H250911 1.595 1.869 2.715 + 1486TIP3 OH250912 1.970 1.721 1.352 + 1486TIP3 H150913 1.934 1.682 1.434 + 1486TIP3 H250914 1.891 1.728 1.297 + 1486TIP3 OH250915 1.315 1.711 2.057 + 1486TIP3 H150916 1.376 1.700 2.132 + 1486TIP3 H250917 1.360 1.667 1.983 + 1487TIP3 OH250918 1.477 1.749 1.629 + 1487TIP3 H150919 1.531 1.798 1.563 + 1487TIP3 H250920 1.407 1.813 1.649 + 1487TIP3 OH250921 2.456 2.120 2.615 + 1487TIP3 H150922 2.479 2.044 2.557 + 1487TIP3 H250923 2.380 2.086 2.666 + 1487TIP3 OH250924 2.166 1.704 2.099 + 1487TIP3 H150925 2.071 1.704 2.119 + 1487TIP3 H250926 2.204 1.695 2.188 + 1487TIP3 OH250927 1.624 1.833 1.967 + 1487TIP3 H150928 1.541 1.858 1.923 + 1487TIP3 H250929 1.650 1.751 1.919 + 1487TIP3 OH250930 1.987 1.864 1.735 + 1487TIP3 H150931 2.084 1.875 1.740 + 1487TIP3 H250932 1.960 1.924 1.664 + 1487TIP3 OH250933 2.607 1.618 2.401 + 1487TIP3 H150934 2.544 1.624 2.476 + 1487TIP3 H250935 2.544 1.590 2.331 + 1487TIP3 OH250936 1.831 1.989 1.513 + 1487TIP3 H150937 1.773 1.958 1.442 + 1487TIP3 H250938 1.913 2.009 1.463 + 1487TIP3 OH250939 1.696 2.464 3.010 + 1487TIP3 H150940 1.764 2.470 3.080 + 1487TIP3 H250941 1.616 2.461 3.066 + 1487TIP3 OH250942 2.266 1.962 2.280 + 1487TIP3 H150943 2.342 1.920 2.237 + 1487TIP3 H250944 2.251 1.903 2.357 + 1487TIP3 OH250945 1.794 1.600 1.904 + 1487TIP3 H150946 1.738 1.521 1.913 + 1487TIP3 H250947 1.872 1.564 1.860 + 1488TIP3 OH250948 2.164 1.809 2.506 + 1488TIP3 H150949 2.087 1.868 2.502 + 1488TIP3 H250950 2.211 1.840 2.586 + 1488TIP3 OH250951 2.179 2.448 1.696 + 1488TIP3 H150952 2.103 2.396 1.661 + 1488TIP3 H250953 2.158 2.453 1.792 + 1488TIP3 OH250954 2.903 2.363 2.570 + 1488TIP3 H150955 2.950 2.418 2.504 + 1488TIP3 H250956 2.816 2.351 2.528 + 1488TIP3 OH250957 2.594 1.730 1.475 + 1488TIP3 H150958 2.496 1.728 1.470 + 1488TIP3 H250959 2.612 1.804 1.536 + 1488TIP3 OH250960 2.382 2.472 2.860 + 1488TIP3 H150961 2.322 2.405 2.895 + 1488TIP3 H250962 2.319 2.534 2.821 + 1488TIP3 OH250963 2.663 1.914 1.680 + 1488TIP3 H150964 2.751 1.898 1.718 + 1488TIP3 H250965 2.672 2.001 1.638 + 1488TIP3 OH250966 1.687 2.387 2.276 + 1488TIP3 H150967 1.750 2.377 2.202 + 1488TIP3 H250968 1.705 2.306 2.328 + 1488TIP3 OH250969 2.418 2.584 1.586 + 1488TIP3 H150970 2.394 2.669 1.628 + 1488TIP3 H250971 2.344 2.527 1.616 + 1488TIP3 OH250972 1.413 2.217 2.809 + 1488TIP3 H150973 1.435 2.168 2.891 + 1488TIP3 H250974 1.360 2.152 2.759 + 1488TIP3 OH250975 2.114 2.157 3.007 + 1488TIP3 H150976 2.081 2.166 2.915 + 1488TIP3 H250977 2.208 2.137 2.988 + 1489TIP3 OH250978 2.575 2.730 2.773 + 1489TIP3 H150979 2.481 2.711 2.759 + 1489TIP3 H250980 2.581 2.725 2.869 + 1489TIP3 OH250981 3.122 1.911 1.653 + 1489TIP3 H150982 3.066 1.893 1.574 + 1489TIP3 H250983 3.134 2.007 1.640 + 1489TIP3 OH250984 3.169 2.519 2.934 + 1489TIP3 H150985 3.075 2.538 2.911 + 1489TIP3 H250986 3.205 2.499 2.846 + 1489TIP3 OH250987 2.943 2.774 1.663 + 1489TIP3 H150988 2.919 2.697 1.717 + 1489TIP3 H250989 2.996 2.735 1.592 + 1489TIP3 OH250990 2.667 2.308 2.399 + 1489TIP3 H150991 2.573 2.290 2.378 + 1489TIP3 H250992 2.710 2.234 2.352 + 1489TIP3 OH250993 1.930 2.713 1.996 + 1489TIP3 H150994 1.972 2.800 1.993 + 1489TIP3 H250995 1.837 2.734 1.981 + 1489TIP3 OH250996 1.530 2.195 1.466 + 1489TIP3 H150997 1.587 2.263 1.506 + 1489TIP3 H250998 1.442 2.222 1.499 + 1489TIP3 OH250999 2.114 2.484 1.963 + 1489TIP3 H151000 2.082 2.574 1.981 + 1489TIP3 H251001 2.047 2.431 2.009 + 1489TIP3 OH251002 2.128 2.912 2.603 + 1489TIP3 H151003 2.188 2.983 2.575 + 1489TIP3 H251004 2.188 2.856 2.655 + 1489TIP3 OH251005 1.975 3.006 1.925 + 1489TIP3 H151006 1.880 3.019 1.934 + 1489TIP3 H251007 2.009 3.094 1.949 + 1490TIP3 OH251008 2.481 2.491 2.566 + 1490TIP3 H151009 2.438 2.451 2.644 + 1490TIP3 H251010 2.544 2.422 2.541 + 1490TIP3 OH251011 2.688 2.617 1.452 + 1490TIP3 H151012 2.730 2.569 1.526 + 1490TIP3 H251013 2.595 2.602 1.475 + 1490TIP3 OH251014 2.770 2.944 2.802 + 1490TIP3 H151015 2.695 2.889 2.768 + 1490TIP3 H251016 2.771 3.018 2.737 + 1490TIP3 OH251017 3.163 3.041 1.504 + 1490TIP3 H151018 3.232 3.106 1.481 + 1490TIP3 H251019 3.085 3.101 1.505 + 1490TIP3 OH251020 1.550 1.679 2.768 + 1490TIP3 H151021 1.460 1.705 2.741 + 1490TIP3 H251022 1.535 1.591 2.807 + 1490TIP3 OH251023 2.785 2.477 1.688 + 1490TIP3 H151024 2.756 2.405 1.748 + 1490TIP3 H251025 2.882 2.474 1.699 + 1490TIP3 OH251026 1.525 2.855 2.607 + 1490TIP3 H151027 1.559 2.764 2.620 + 1490TIP3 H251028 1.550 2.893 2.692 + 1490TIP3 OH251029 2.112 2.720 1.308 + 1490TIP3 H151030 2.141 2.640 1.260 + 1490TIP3 H251031 2.069 2.681 1.386 + 1490TIP3 OH251032 1.997 2.673 1.578 + 1490TIP3 H151033 2.045 2.618 1.642 + 1490TIP3 H251034 2.011 2.763 1.613 + 1490TIP3 OH251035 1.680 2.416 1.617 + 1490TIP3 H151036 1.607 2.454 1.672 + 1490TIP3 H251037 1.728 2.497 1.592 + 1491TIP3 OH251038 2.451 1.663 2.620 + 1491TIP3 H151039 2.503 1.693 2.695 + 1491TIP3 H251040 2.394 1.594 2.660 + 1491TIP3 OH251041 2.513 1.605 1.748 + 1491TIP3 H151042 2.526 1.659 1.668 + 1491TIP3 H251043 2.554 1.660 1.816 + 1491TIP3 OH251044 2.293 2.837 1.643 + 1491TIP3 H151045 2.209 2.884 1.659 + 1491TIP3 H251046 2.326 2.881 1.564 + 1491TIP3 OH251047 2.255 1.803 1.843 + 1491TIP3 H151048 2.328 1.868 1.857 + 1491TIP3 H251049 2.222 1.791 1.933 + 1491TIP3 OH251050 2.284 1.910 2.755 + 1491TIP3 H151051 2.291 1.962 2.837 + 1491TIP3 H251052 2.335 1.832 2.778 + 1491TIP3 OH251053 2.315 1.508 1.942 + 1491TIP3 H151054 2.287 1.582 1.999 + 1491TIP3 H251055 2.382 1.550 1.886 + 1491TIP3 OH251056 2.012 2.942 1.642 + 1491TIP3 H151057 2.005 3.024 1.589 + 1491TIP3 H251058 1.998 2.976 1.733 + 1491TIP3 OH251059 1.884 1.608 1.589 + 1491TIP3 H151060 1.884 1.684 1.650 + 1491TIP3 H251061 1.965 1.561 1.617 + 1491TIP3 OH251062 2.917 1.696 2.846 + 1491TIP3 H151063 2.822 1.714 2.834 + 1491TIP3 H251064 2.940 1.679 2.753 + 1491TIP3 OH251065 2.770 2.081 2.246 + 1491TIP3 H151066 2.684 2.041 2.223 + 1491TIP3 H251067 2.814 2.009 2.295 + 1492TIP3 OH251068 1.724 2.698 1.495 + 1492TIP3 H151069 1.799 2.745 1.535 + 1492TIP3 H251070 1.773 2.646 1.429 + 1492TIP3 OH251071 1.536 1.918 1.397 + 1492TIP3 H151072 1.550 2.010 1.425 + 1492TIP3 H251073 1.442 1.917 1.376 + 1492TIP3 OH251074 2.870 2.970 2.388 + 1492TIP3 H151075 2.851 3.049 2.336 + 1492TIP3 H251076 2.963 2.984 2.410 + 1492TIP3 OH251077 1.632 1.418 2.283 + 1492TIP3 H151078 1.613 1.413 2.187 + 1492TIP3 H251079 1.597 1.333 2.315 + 1492TIP3 OH251080 1.520 2.769 1.915 + 1492TIP3 H151081 1.441 2.820 1.937 + 1492TIP3 H251082 1.557 2.820 1.842 + 1492TIP3 OH251083 1.459 3.059 3.028 + 1492TIP3 H151084 1.518 3.030 3.101 + 1492TIP3 H251085 1.422 2.973 3.000 + 1492TIP3 OH251086 1.931 2.965 3.207 + 1492TIP3 H151087 1.998 2.897 3.226 + 1492TIP3 H251088 1.906 2.940 3.116 + 1492TIP3 OH251089 2.334 2.890 1.358 + 1492TIP3 H151090 2.258 2.829 1.349 + 1492TIP3 H251091 2.405 2.835 1.322 + 1492TIP3 OH251092 2.571 2.796 3.069 + 1492TIP3 H151093 2.527 2.712 3.094 + 1492TIP3 H251094 2.644 2.800 3.133 + 1492TIP3 OH251095 2.797 2.882 1.369 + 1492TIP3 H151096 2.810 2.800 1.420 + 1492TIP3 H251097 2.877 2.884 1.313 + 1493TIP3 OH251098 1.454 2.421 3.142 + 1493TIP3 H151099 1.466 2.331 3.107 + 1493TIP3 H251100 1.379 2.452 3.087 + 1493TIP3 OH251101 1.877 2.465 1.342 + 1493TIP3 H151102 1.891 2.405 1.417 + 1493TIP3 H251103 1.963 2.458 1.297 + 1493TIP3 OH251104 2.111 2.438 3.076 + 1493TIP3 H151105 2.092 2.471 2.987 + 1493TIP3 H251106 2.124 2.343 3.060 + 1493TIP3 OH251107 2.401 2.597 1.303 + 1493TIP3 H151108 2.396 2.592 1.400 + 1493TIP3 H251109 2.396 2.501 1.281 + 1493TIP3 OH251110 2.661 2.398 2.815 + 1493TIP3 H151111 2.726 2.464 2.791 + 1493TIP3 H251112 2.578 2.450 2.817 + 1493TIP3 OH251113 1.541 2.135 3.057 + 1493TIP3 H151114 1.615 2.072 3.056 + 1493TIP3 H251115 1.536 2.155 3.152 + 1493TIP3 OH251116 1.985 2.273 1.576 + 1493TIP3 H151117 1.924 2.222 1.631 + 1493TIP3 H251118 2.015 2.204 1.512 + 1493TIP3 OH251119 1.906 2.042 2.791 + 1493TIP3 H151120 1.857 2.118 2.826 + 1493TIP3 H251121 1.972 2.092 2.738 + 1493TIP3 OH251122 2.081 2.075 1.402 + 1493TIP3 H151123 2.075 2.078 1.305 + 1493TIP3 H251124 2.177 2.069 1.416 + 1493TIP3 OH251125 2.441 2.319 3.169 + 1493TIP3 H151126 2.524 2.297 3.124 + 1493TIP3 H251127 2.411 2.231 3.198 + 1494TIP3 OH251128 3.033 2.326 1.334 + 1494TIP3 H151129 3.021 2.283 1.248 + 1494TIP3 H251130 3.021 2.420 1.309 + 1494TIP3 OH251131 1.967 1.777 2.915 + 1494TIP3 H151132 1.972 1.710 2.844 + 1494TIP3 H251133 1.947 1.858 2.865 + 1494TIP3 OH251134 2.001 1.620 2.658 + 1494TIP3 H151135 2.051 1.678 2.597 + 1494TIP3 H251136 1.909 1.626 2.625 + 1494TIP3 OH251137 2.614 1.961 3.178 + 1494TIP3 H151138 2.632 1.868 3.198 + 1494TIP3 H251139 2.703 1.998 3.174 + 1494TIP3 OH251140 2.712 2.241 3.030 + 1494TIP3 H151141 2.674 2.299 2.960 + 1494TIP3 H251142 2.799 2.224 2.989 + 1494TIP3 OH251143 1.786 1.963 3.094 + 1494TIP3 H151144 1.735 1.880 3.093 + 1494TIP3 H251145 1.869 1.936 3.051 + 1494TIP3 OH251146 2.079 1.353 2.686 + 1494TIP3 H151147 2.059 1.448 2.673 + 1494TIP3 H251148 2.003 1.313 2.638 + 1494TIP3 OH251149 2.200 1.813 3.073 + 1494TIP3 H151150 2.165 1.792 3.161 + 1494TIP3 H251151 2.120 1.796 3.020 + 1494TIP3 OH251152 2.451 1.716 2.958 + 1494TIP3 H151153 2.364 1.727 2.999 + 1494TIP3 H251154 2.496 1.658 3.022 + 1494TIP3 OH251155 2.640 1.566 3.137 + 1494TIP3 H151156 2.618 1.472 3.154 + 1494TIP3 H251157 2.618 1.610 3.221 + 1495TIP3 OH251158 1.655 1.708 3.078 + 1495TIP3 H151159 1.645 1.638 3.012 + 1495TIP3 H251160 1.632 1.661 3.161 + 1495TIP3 OH251161 2.055 1.308 2.976 + 1495TIP3 H151162 2.112 1.229 2.984 + 1495TIP3 H251163 2.053 1.322 2.880 + 1495TIP3 OH251164 2.152 1.494 3.158 + 1495TIP3 H151165 2.116 1.434 3.090 + 1495TIP3 H251166 2.082 1.561 3.165 + 1495TIP3 OH251167 2.057 3.197 1.512 + 1495TIP3 H151168 2.153 3.208 1.522 + 1495TIP3 H251169 2.043 3.242 1.427 + 1495TIP3 OH251170 1.448 2.638 1.463 + 1495TIP3 H151171 1.544 2.655 1.478 + 1495TIP3 H251172 1.450 2.558 1.407 + 1495TIP3 OH251173 1.346 3.157 1.939 + 1495TIP3 H151174 1.276 3.118 1.884 + 1495TIP3 H251175 1.358 3.087 2.007 + 1495TIP3 OH251176 1.385 2.959 2.137 + 1495TIP3 H151177 1.358 2.871 2.168 + 1495TIP3 H251178 1.423 2.992 2.220 + 1495TIP3 OH251179 3.144 3.082 2.436 + 1495TIP3 H151180 3.159 3.084 2.531 + 1495TIP3 H251181 3.227 3.118 2.402 + 1495TIP3 OH251182 3.130 3.029 2.731 + 1495TIP3 H151183 3.080 2.958 2.686 + 1495TIP3 H251184 3.188 2.975 2.787 + 1495TIP3 OH251185 2.932 2.582 3.150 + 1495TIP3 H151186 2.847 2.576 3.196 + 1495TIP3 H251187 2.980 2.652 3.198 + 1496TIP3 OH251188 3.071 2.463 1.727 + 1496TIP3 H151189 3.162 2.494 1.745 + 1496TIP3 H251190 3.061 2.398 1.800 + 1496TIP3 OH251191 3.117 2.258 1.924 + 1496TIP3 H151192 3.049 2.202 1.967 + 1496TIP3 H251193 3.184 2.270 1.994 + 1496TIP3 OH251194 3.092 2.509 2.425 + 1496TIP3 H151195 3.151 2.459 2.366 + 1496TIP3 H251196 3.099 2.599 2.389 + 1496TIP3 OH251197 2.961 2.801 2.646 + 1496TIP3 H151198 2.885 2.839 2.694 + 1496TIP3 H251199 2.917 2.764 2.567 + 1496TIP3 OH251200 3.144 2.203 1.583 + 1496TIP3 H151201 3.091 2.230 1.505 + 1496TIP3 H251202 3.129 2.278 1.643 + 1496TIP3 OH251203 2.973 1.958 1.410 + 1496TIP3 H151204 2.995 2.018 1.337 + 1496TIP3 H251205 2.945 1.877 1.362 + 1496TIP3 OH251206 2.912 2.071 2.007 + 1496TIP3 H151207 2.902 1.976 1.990 + 1496TIP3 H251208 2.872 2.081 2.096 + 1496TIP3 OH251209 1.395 2.294 2.378 + 1496TIP3 H151210 1.421 2.299 2.285 + 1496TIP3 H251211 1.482 2.272 2.419 + 1496TIP3 OH251212 2.972 2.265 2.922 + 1496TIP3 H151213 3.045 2.202 2.938 + 1496TIP3 H251214 3.019 2.347 2.901 + 1496TIP3 OH251215 3.127 2.075 3.044 + 1496TIP3 H151216 3.047 2.022 3.020 + 1496TIP3 H251217 3.197 2.007 3.039 + 1497TIP3 OH251218 2.917 1.693 1.329 + 1497TIP3 H151219 2.971 1.641 1.391 + 1497TIP3 H251220 2.835 1.642 1.320 + 1497TIP3 OH251221 2.898 1.821 1.826 + 1497TIP3 H151222 2.922 1.725 1.829 + 1497TIP3 H251223 2.977 1.858 1.784 + 1497TIP3 OH251224 2.920 1.878 2.368 + 1497TIP3 H151225 3.017 1.893 2.366 + 1497TIP3 H251226 2.903 1.887 2.463 + 1497TIP3 OH251227 2.935 1.952 2.649 + 1497TIP3 H151228 2.849 1.989 2.676 + 1497TIP3 H251229 2.986 2.032 2.630 + 1497TIP3 OH251230 1.387 1.828 3.019 + 1497TIP3 H151231 1.480 1.802 3.020 + 1497TIP3 H251232 1.342 1.742 3.023 + 1497TIP3 OH251233 3.198 1.369 3.181 + 1497TIP3 H151234 3.233 1.298 3.123 + 1497TIP3 H251235 3.195 1.445 3.120 + 1497TIP3 OH251236 2.946 1.541 1.822 + 1497TIP3 H151237 2.951 1.511 1.914 + 1497TIP3 H251238 2.865 1.493 1.791 + 1497TIP3 OH251239 1.463 1.661 2.298 + 1497TIP3 H151240 1.509 1.576 2.304 + 1497TIP3 H251241 1.532 1.721 2.333 + 1497TIP3 OH251242 1.317 1.929 2.402 + 1497TIP3 H151243 1.375 1.923 2.324 + 1497TIP3 H251244 1.356 2.005 2.447 + 1497TIP3 OH251245 3.130 1.569 3.002 + 1497TIP3 H151246 3.043 1.613 3.011 + 1497TIP3 H251247 3.115 1.518 2.921 + 1498TIP3 OH251248 3.141 1.587 1.492 + 1498TIP3 H151249 3.172 1.510 1.441 + 1498TIP3 H251250 3.221 1.643 1.495 + 1498TIP3 OH251251 1.367 1.569 1.816 + 1498TIP3 H151252 1.273 1.565 1.790 + 1498TIP3 H251253 1.409 1.619 1.744 + 1498TIP3 OH251254 2.830 3.093 2.017 + 1498TIP3 H151255 2.876 3.065 1.936 + 1498TIP3 H251256 2.903 3.124 2.072 + 1498TIP3 OH251257 1.372 1.452 2.623 + 1498TIP3 H151258 1.300 1.424 2.682 + 1498TIP3 H251259 1.321 1.503 2.556 + 1498TIP3 OH251260 1.571 2.760 3.087 + 1498TIP3 H151261 1.498 2.756 3.023 + 1498TIP3 H251262 1.524 2.754 3.171 + 1498TIP3 OH251263 1.853 2.848 2.658 + 1498TIP3 H151264 1.821 2.932 2.622 + 1498TIP3 H251265 1.948 2.856 2.637 + 1498TIP3 OH251266 2.299 2.999 2.964 + 1498TIP3 H151267 2.318 2.968 3.053 + 1498TIP3 H251268 2.387 3.028 2.932 + 1498TIP3 OH251269 2.536 3.136 2.881 + 1498TIP3 H151270 2.596 3.069 2.845 + 1498TIP3 H251271 2.575 3.152 2.967 + 1498TIP3 OH251272 3.009 1.393 2.796 + 1498TIP3 H151273 2.934 1.423 2.742 + 1498TIP3 H251274 3.029 1.304 2.760 + 1498TIP3 OH251275 1.592 3.156 2.691 + 1498TIP3 H151276 1.532 3.218 2.646 + 1498TIP3 H251277 1.556 3.157 2.780 + 1499TIP3 OH251278 1.843 3.129 2.548 + 1499TIP3 H151279 1.757 3.145 2.591 + 1499TIP3 H251280 1.844 3.198 2.478 + 1499TIP3 OH251281 2.317 3.132 2.501 + 1499TIP3 H151282 2.277 3.174 2.423 + 1499TIP3 H251283 2.322 3.207 2.563 + 1499TIP3 OH251284 2.550 3.008 2.599 + 1499TIP3 H151285 2.465 3.036 2.560 + 1499TIP3 H251286 2.604 3.087 2.586 + 1499TIP3 OH251287 2.807 3.176 2.614 + 1499TIP3 H151288 2.802 3.271 2.590 + 1499TIP3 H251289 2.830 3.138 2.527 + 1499TIP3 OH251290 1.550 3.034 2.385 + 1499TIP3 H151291 1.547 2.984 2.470 + 1499TIP3 H251292 1.625 2.989 2.341 + 1499TIP3 OH251293 1.751 2.907 2.231 + 1499TIP3 H151294 1.736 2.814 2.257 + 1499TIP3 H251295 1.843 2.921 2.261 + 1499TIP3 OH251296 2.030 2.956 2.317 + 1499TIP3 H151297 2.045 2.861 2.296 + 1499TIP3 H251298 2.034 2.951 2.414 + 1499TIP3 OH251299 2.366 1.544 2.254 + 1499TIP3 H151300 2.295 1.480 2.271 + 1499TIP3 H251301 2.413 1.503 2.181 + 1499TIP3 OH251302 2.856 1.341 2.292 + 1499TIP3 H151303 2.931 1.391 2.254 + 1499TIP3 H251304 2.781 1.376 2.240 + 1499TIP3 OH251305 3.065 1.454 2.083 + 1499TIP3 H151306 3.135 1.417 2.027 + 1499TIP3 H251307 3.093 1.547 2.092 + 1500TIP3 OH251308 1.594 1.396 2.001 + 1500TIP3 H151309 1.508 1.391 1.954 + 1500TIP3 H251310 1.630 1.307 1.982 + 1500TIP3 OH251311 1.480 1.350 1.598 + 1500TIP3 H151312 1.513 1.417 1.538 + 1500TIP3 H251313 1.427 1.400 1.661 + 1500TIP3 OH251314 2.045 1.395 1.993 + 1500TIP3 H151315 2.137 1.426 1.985 + 1500TIP3 H251316 2.036 1.384 2.089 + 1500TIP3 OH251317 2.611 1.399 2.134 + 1500TIP3 H151318 2.624 1.395 2.038 + 1500TIP3 H251319 2.559 1.318 2.150 + 1500TIP3 OH251320 2.713 1.402 1.733 + 1500TIP3 H151321 2.632 1.455 1.719 + 1500TIP3 H251322 2.676 1.313 1.742 + 1500TIP3 OH251323 1.494 2.961 1.708 + 1500TIP3 H151324 1.431 2.948 1.636 + 1500TIP3 H251325 1.493 3.057 1.715 + 1500TIP3 OH251326 1.650 1.561 1.426 + 1500TIP3 H151327 1.696 1.484 1.391 + 1500TIP3 H251328 1.705 1.582 1.503 + 1500TIP3 OH251329 2.159 1.563 1.695 + 1500TIP3 H151330 2.188 1.506 1.768 + 1500TIP3 H251331 2.175 1.650 1.732 + 1500TIP3 OH251332 2.362 3.144 1.519 + 1500TIP3 H151333 2.459 3.144 1.515 + 1500TIP3 H251334 2.342 3.078 1.452 + 1500TIP3 OH251335 3.013 3.046 1.778 + 1500TIP3 H151336 2.989 2.961 1.735 + 1500TIP3 H251337 3.007 3.107 1.703 + 1501TIP3 OH251338 1.575 1.440 2.958 + 1501TIP3 H151339 1.535 1.358 2.992 + 1501TIP3 H251340 1.667 1.426 2.984 + 1501TIP3 OH251341 1.813 1.378 3.129 + 1501TIP3 H151342 1.895 1.341 3.090 + 1501TIP3 H251343 1.778 1.299 3.175 + 1501TIP3 OH251344 1.639 3.057 1.387 + 1501TIP3 H151345 1.615 3.082 1.477 + 1501TIP3 H251346 1.714 2.998 1.402 + 1501TIP3 OH251347 2.624 1.283 3.137 + 1501TIP3 H151348 2.621 1.246 3.228 + 1501TIP3 H251349 2.720 1.288 3.122 + 1501TIP3 OH251350 2.948 2.967 3.032 + 1501TIP3 H151351 2.893 2.917 2.969 + 1501TIP3 H251352 2.953 3.051 2.985 + 1501TIP3 OH251353 4.214 2.194 2.340 + 1501TIP3 H151354 4.291 2.224 2.392 + 1501TIP3 H251355 4.248 2.200 2.250 + 1501TIP3 OH251356 3.515 2.193 2.503 + 1501TIP3 H151357 3.513 2.119 2.567 + 1501TIP3 H251358 3.586 2.247 2.540 + 1501TIP3 OH251359 3.588 2.655 2.369 + 1501TIP3 H151360 3.566 2.563 2.344 + 1501TIP3 H251361 3.681 2.644 2.391 + 1501TIP3 OH251362 3.280 1.997 1.892 + 1501TIP3 H151363 3.240 2.085 1.901 + 1501TIP3 H251364 3.208 1.947 1.851 + 1501TIP3 OH251365 3.361 2.243 2.079 + 1501TIP3 H151366 3.375 2.159 2.127 + 1501TIP3 H251367 3.445 2.253 2.031 + 1502TIP3 OH251368 4.121 2.489 2.395 + 1502TIP3 H151369 4.155 2.413 2.346 + 1502TIP3 H251370 4.195 2.511 2.453 + 1502TIP3 OH251371 3.747 1.719 2.154 + 1502TIP3 H151372 3.757 1.806 2.111 + 1502TIP3 H251373 3.708 1.668 2.079 + 1502TIP3 OH251374 3.411 1.993 2.203 + 1502TIP3 H151375 3.474 1.946 2.260 + 1502TIP3 H251376 3.420 1.944 2.119 + 1502TIP3 OH251377 3.950 2.129 2.149 + 1502TIP3 H151378 4.028 2.081 2.182 + 1502TIP3 H251379 3.902 2.059 2.102 + 1502TIP3 OH251380 3.627 1.591 2.566 + 1502TIP3 H151381 3.591 1.642 2.491 + 1502TIP3 H251382 3.559 1.608 2.635 + 1502TIP3 OH251383 3.913 2.379 2.577 + 1502TIP3 H151384 3.845 2.439 2.615 + 1502TIP3 H251385 3.982 2.443 2.553 + 1502TIP3 OH251386 3.583 1.803 2.362 + 1502TIP3 H151387 3.647 1.862 2.409 + 1502TIP3 H251388 3.641 1.767 2.292 + 1502TIP3 OH251389 3.717 2.574 2.659 + 1502TIP3 H151390 3.734 2.668 2.644 + 1502TIP3 H251391 3.635 2.578 2.711 + 1502TIP3 OH251392 3.348 2.545 1.741 + 1502TIP3 H151393 3.327 2.594 1.660 + 1502TIP3 H251394 3.363 2.616 1.808 + 1502TIP3 OH251395 4.268 2.240 1.738 + 1502TIP3 H151396 4.200 2.308 1.724 + 1502TIP3 H251397 4.329 2.258 1.667 + 1503TIP3 OH251398 4.289 2.078 1.461 + 1503TIP3 H151399 4.361 2.069 1.526 + 1503TIP3 H251400 4.294 1.995 1.412 + 1503TIP3 OH251401 3.757 2.317 2.042 + 1503TIP3 H151402 3.728 2.274 1.960 + 1503TIP3 H251403 3.824 2.254 2.075 + 1503TIP3 OH251404 3.898 2.660 2.314 + 1503TIP3 H151405 3.891 2.614 2.230 + 1503TIP3 H251406 3.973 2.614 2.355 + 1503TIP3 OH251407 3.814 2.195 2.387 + 1503TIP3 H151408 3.874 2.197 2.309 + 1503TIP3 H251409 3.851 2.266 2.443 + 1503TIP3 OH251410 3.593 2.267 2.786 + 1503TIP3 H151411 3.603 2.331 2.859 + 1503TIP3 H251412 3.497 2.259 2.779 + 1503TIP3 OH251413 4.253 2.842 1.959 + 1503TIP3 H151414 4.299 2.891 2.029 + 1503TIP3 H251415 4.200 2.912 1.917 + 1503TIP3 OH251416 3.711 2.860 2.960 + 1503TIP3 H151417 3.734 2.825 2.872 + 1503TIP3 H251418 3.635 2.806 2.985 + 1503TIP3 OH251419 3.650 2.192 1.794 + 1503TIP3 H151420 3.631 2.269 1.739 + 1503TIP3 H251421 3.582 2.129 1.766 + 1503TIP3 OH251422 3.256 2.460 2.666 + 1503TIP3 H151423 3.209 2.460 2.580 + 1503TIP3 H251424 3.268 2.365 2.683 + 1503TIP3 OH251425 3.265 2.760 2.358 + 1503TIP3 H151426 3.354 2.723 2.368 + 1503TIP3 H251427 3.255 2.812 2.439 + 1504TIP3 OH251428 4.181 3.121 1.813 + 1504TIP3 H151429 4.204 3.120 1.719 + 1504TIP3 H251430 4.210 3.208 1.843 + 1504TIP3 OH251431 3.573 3.035 1.979 + 1504TIP3 H151432 3.587 2.986 2.062 + 1504TIP3 H251433 3.492 2.994 1.945 + 1504TIP3 OH251434 3.466 2.622 2.799 + 1504TIP3 H151435 3.503 2.567 2.871 + 1504TIP3 H251436 3.403 2.561 2.755 + 1504TIP3 OH251437 3.825 1.452 2.350 + 1504TIP3 H151438 3.739 1.444 2.307 + 1504TIP3 H251439 3.812 1.532 2.403 + 1504TIP3 OH251440 4.234 1.393 2.792 + 1504TIP3 H151441 4.243 1.324 2.859 + 1504TIP3 H251442 4.142 1.379 2.763 + 1504TIP3 OH251443 4.227 1.679 1.459 + 1504TIP3 H151444 4.171 1.663 1.535 + 1504TIP3 H251445 4.197 1.609 1.399 + 1504TIP3 OH251446 3.780 1.941 2.509 + 1504TIP3 H151447 3.720 1.954 2.584 + 1504TIP3 H251448 3.788 2.032 2.472 + 1504TIP3 OH251449 3.774 1.946 1.998 + 1504TIP3 H151450 3.678 1.940 1.982 + 1504TIP3 H251451 3.808 1.933 1.908 + 1504TIP3 OH251452 4.248 2.033 1.911 + 1504TIP3 H151453 4.239 2.121 1.868 + 1504TIP3 H251454 4.343 2.020 1.891 + 1504TIP3 OH251455 4.258 2.029 3.030 + 1504TIP3 H151456 4.197 1.953 3.042 + 1504TIP3 H251457 4.343 1.983 3.027 + 1505TIP3 OH251458 3.516 1.958 2.693 + 1505TIP3 H151459 3.542 1.990 2.780 + 1505TIP3 H251460 3.482 1.869 2.713 + 1505TIP3 OH251461 3.863 1.719 1.351 + 1505TIP3 H151462 3.820 1.682 1.430 + 1505TIP3 H251463 3.788 1.737 1.293 + 1505TIP3 OH251464 3.200 1.705 2.057 + 1505TIP3 H151465 3.261 1.701 2.133 + 1505TIP3 H251466 3.250 1.667 1.984 + 1505TIP3 OH251467 3.361 1.749 1.629 + 1505TIP3 H151468 3.413 1.798 1.562 + 1505TIP3 H251469 3.289 1.813 1.646 + 1505TIP3 OH251470 4.353 2.069 2.629 + 1505TIP3 H151471 4.370 2.013 2.551 + 1505TIP3 H251472 4.271 2.030 2.663 + 1505TIP3 OH251473 4.045 1.673 2.120 + 1505TIP3 H151474 3.952 1.698 2.128 + 1505TIP3 H251475 4.086 1.737 2.182 + 1505TIP3 OH251476 3.507 1.831 1.968 + 1505TIP3 H151477 3.426 1.860 1.922 + 1505TIP3 H251478 3.534 1.752 1.918 + 1505TIP3 OH251479 3.875 1.860 1.731 + 1505TIP3 H151480 3.969 1.883 1.738 + 1505TIP3 H251481 3.841 1.921 1.663 + 1505TIP3 OH251482 3.724 1.985 1.513 + 1505TIP3 H151483 3.661 1.963 1.443 + 1505TIP3 H251484 3.803 2.004 1.462 + 1505TIP3 OH251485 3.579 2.465 3.009 + 1505TIP3 H151486 3.650 2.471 3.076 + 1505TIP3 H251487 3.501 2.458 3.068 + 1506TIP3 OH251488 4.142 1.898 2.244 + 1506TIP3 H151489 4.232 1.901 2.209 + 1506TIP3 H251490 4.160 1.917 2.338 + 1506TIP3 OH251491 3.687 1.602 1.905 + 1506TIP3 H151492 3.625 1.527 1.913 + 1506TIP3 H251493 3.756 1.567 1.847 + 1506TIP3 OH251494 4.049 1.795 2.515 + 1506TIP3 H151495 3.981 1.862 2.496 + 1506TIP3 H251496 4.099 1.837 2.588 + 1506TIP3 OH251497 4.072 2.433 1.700 + 1506TIP3 H151498 3.994 2.387 1.664 + 1506TIP3 H251499 4.049 2.443 1.795 + 1506TIP3 OH251500 3.579 2.388 2.280 + 1506TIP3 H151501 3.635 2.378 2.200 + 1506TIP3 H251502 3.589 2.301 2.322 + 1506TIP3 OH251503 4.287 2.575 1.597 + 1506TIP3 H151504 4.260 2.664 1.627 + 1506TIP3 H251505 4.211 2.522 1.629 + 1506TIP3 OH251506 3.303 2.215 2.806 + 1506TIP3 H151507 3.320 2.169 2.891 + 1506TIP3 H251508 3.243 2.154 2.760 + 1506TIP3 OH251509 4.001 2.152 3.011 + 1506TIP3 H151510 3.968 2.135 2.921 + 1506TIP3 H251511 4.097 2.145 2.997 + 1506TIP3 OH251512 3.814 2.714 2.003 + 1506TIP3 H151513 3.858 2.800 1.992 + 1506TIP3 H251514 3.723 2.735 1.979 + 1506TIP3 OH251515 3.416 2.194 1.466 + 1506TIP3 H151516 3.473 2.263 1.505 + 1506TIP3 H251517 3.328 2.221 1.498 + 1507TIP3 OH251518 3.994 2.483 1.962 + 1507TIP3 H151519 3.969 2.575 1.981 + 1507TIP3 H251520 3.925 2.434 2.009 + 1507TIP3 OH251521 4.016 2.916 2.608 + 1507TIP3 H151522 4.090 2.974 2.582 + 1507TIP3 H251523 4.061 2.849 2.664 + 1507TIP3 OH251524 3.859 3.005 1.928 + 1507TIP3 H151525 3.764 3.021 1.934 + 1507TIP3 H251526 3.896 3.093 1.948 + 1507TIP3 OH251527 3.438 1.677 2.764 + 1507TIP3 H151528 3.347 1.704 2.740 + 1507TIP3 H251529 3.422 1.591 2.807 + 1507TIP3 OH251530 3.410 2.859 2.606 + 1507TIP3 H151531 3.442 2.768 2.608 + 1507TIP3 H251532 3.443 2.889 2.691 + 1507TIP3 OH251533 3.994 2.724 1.309 + 1507TIP3 H151534 4.028 2.648 1.258 + 1507TIP3 H251535 3.957 2.679 1.387 + 1507TIP3 OH251536 3.886 2.667 1.584 + 1507TIP3 H151537 3.934 2.616 1.651 + 1507TIP3 H251538 3.899 2.759 1.614 + 1507TIP3 OH251539 3.566 2.415 1.620 + 1507TIP3 H151540 3.493 2.454 1.672 + 1507TIP3 H251541 3.613 2.496 1.591 + 1507TIP3 OH251542 4.334 1.707 2.671 + 1507TIP3 H151543 4.404 1.642 2.679 + 1507TIP3 H251544 4.267 1.659 2.621 + 1507TIP3 OH251545 4.169 2.834 1.636 + 1507TIP3 H151546 4.089 2.884 1.657 + 1507TIP3 H251547 4.209 2.889 1.567 + 1508TIP3 OH251548 4.147 1.793 1.842 + 1508TIP3 H151549 4.194 1.878 1.856 + 1508TIP3 H251550 4.112 1.782 1.932 + 1508TIP3 OH251551 4.163 1.895 2.760 + 1508TIP3 H151552 4.180 1.947 2.839 + 1508TIP3 H251553 4.234 1.828 2.762 + 1508TIP3 OH251554 4.189 1.500 1.960 + 1508TIP3 H151555 4.169 1.582 2.011 + 1508TIP3 H251556 4.273 1.526 1.917 + 1508TIP3 OH251557 3.894 2.940 1.641 + 1508TIP3 H151558 3.890 3.021 1.587 + 1508TIP3 H251559 3.882 2.975 1.732 + 1508TIP3 OH251560 3.768 1.607 1.590 + 1508TIP3 H151561 3.772 1.688 1.645 + 1508TIP3 H251562 3.853 1.565 1.611 + 1508TIP3 OH251563 3.611 2.696 1.497 + 1508TIP3 H151564 3.684 2.746 1.536 + 1508TIP3 H251565 3.660 2.646 1.429 + 1508TIP3 OH251566 3.424 1.915 1.410 + 1508TIP3 H151567 3.434 2.010 1.431 + 1508TIP3 H251568 3.339 1.914 1.364 + 1508TIP3 OH251569 3.531 1.416 2.286 + 1508TIP3 H151570 3.506 1.419 2.191 + 1508TIP3 H251571 3.487 1.335 2.317 + 1508TIP3 OH251572 3.407 2.769 1.915 + 1508TIP3 H151573 3.327 2.819 1.938 + 1508TIP3 H251574 3.442 2.821 1.841 + 1508TIP3 OH251575 3.343 3.060 3.031 + 1508TIP3 H151576 3.407 3.027 3.097 + 1508TIP3 H251577 3.308 2.975 2.996 + 1509TIP3 OH251578 3.833 2.982 3.198 + 1509TIP3 H151579 3.884 2.904 3.227 + 1509TIP3 H251580 3.798 2.946 3.114 + 1509TIP3 OH251581 4.230 2.888 1.341 + 1509TIP3 H151582 4.147 2.837 1.341 + 1509TIP3 H251583 4.293 2.815 1.326 + 1509TIP3 OH251584 3.339 2.424 3.142 + 1509TIP3 H151585 3.351 2.332 3.110 + 1509TIP3 H251586 3.264 2.452 3.086 + 1509TIP3 OH251587 3.763 2.465 1.342 + 1509TIP3 H151588 3.779 2.405 1.417 + 1509TIP3 H251589 3.848 2.461 1.295 + 1509TIP3 OH251590 3.981 2.444 3.071 + 1509TIP3 H151591 4.008 2.485 2.987 + 1509TIP3 H251592 4.012 2.352 3.059 + 1509TIP3 OH251593 4.262 2.596 1.298 + 1509TIP3 H151594 4.276 2.606 1.393 + 1509TIP3 H251595 4.243 2.501 1.291 + 1509TIP3 OH251596 3.427 2.136 3.058 + 1509TIP3 H151597 3.500 2.072 3.058 + 1509TIP3 H251598 3.422 2.156 3.153 + 1509TIP3 OH251599 3.871 2.270 1.574 + 1509TIP3 H151600 3.808 2.220 1.628 + 1509TIP3 H251601 3.902 2.201 1.512 + 1509TIP3 OH251602 3.795 2.051 2.802 + 1509TIP3 H151603 3.739 2.128 2.822 + 1509TIP3 H251604 3.850 2.086 2.731 + 1509TIP3 OH251605 3.979 2.071 1.404 + 1509TIP3 H151606 3.969 2.078 1.307 + 1509TIP3 H251607 4.075 2.085 1.414 + 1510TIP3 OH251608 4.275 2.298 3.176 + 1510TIP3 H151609 4.350 2.279 3.119 + 1510TIP3 H251610 4.268 2.215 3.226 + 1510TIP3 OH251611 3.858 1.780 2.917 + 1510TIP3 H151612 3.862 1.714 2.845 + 1510TIP3 H251613 3.838 1.862 2.868 + 1510TIP3 OH251614 3.887 1.621 2.657 + 1510TIP3 H151615 3.936 1.683 2.599 + 1510TIP3 H251616 3.795 1.625 2.622 + 1510TIP3 OH251617 4.073 2.171 2.694 + 1510TIP3 H151618 4.134 2.167 2.619 + 1510TIP3 H251619 4.025 2.253 2.675 + 1510TIP3 OH251620 3.674 1.961 3.097 + 1510TIP3 H151621 3.620 1.880 3.094 + 1510TIP3 H251622 3.754 1.933 3.049 + 1510TIP3 OH251623 3.973 1.361 2.693 + 1510TIP3 H151624 3.948 1.455 2.678 + 1510TIP3 H251625 3.904 1.316 2.641 + 1510TIP3 OH251626 4.106 1.805 3.071 + 1510TIP3 H151627 4.064 1.783 3.156 + 1510TIP3 H251628 4.032 1.786 3.010 + 1510TIP3 OH251629 3.539 1.708 3.076 + 1510TIP3 H151630 3.530 1.637 3.011 + 1510TIP3 H251631 3.518 1.661 3.160 + 1510TIP3 OH251632 3.944 1.308 2.979 + 1510TIP3 H151633 4.004 1.232 2.983 + 1510TIP3 H251634 3.941 1.324 2.883 + 1510TIP3 OH251635 4.036 1.488 3.172 + 1510TIP3 H151636 4.005 1.433 3.097 + 1510TIP3 H251637 3.973 1.562 3.170 + 1511TIP3 OH251638 3.956 3.194 1.513 + 1511TIP3 H151639 4.052 3.202 1.520 + 1511TIP3 H251640 3.940 3.243 1.431 + 1511TIP3 OH251641 3.334 2.637 1.465 + 1511TIP3 H151642 3.430 2.655 1.478 + 1511TIP3 H251643 3.336 2.558 1.407 + 1511TIP3 OH251644 3.233 3.157 1.938 + 1511TIP3 H151645 3.162 3.119 1.882 + 1511TIP3 H251646 3.244 3.088 2.006 + 1511TIP3 OH251647 3.272 2.959 2.135 + 1511TIP3 H151648 3.244 2.871 2.167 + 1511TIP3 H251649 3.302 2.997 2.219 + 1511TIP3 OH251650 3.280 2.292 2.376 + 1511TIP3 H151651 3.306 2.298 2.283 + 1511TIP3 H251652 3.367 2.271 2.417 + 1511TIP3 OH251653 3.273 1.828 3.014 + 1511TIP3 H151654 3.366 1.801 3.022 + 1511TIP3 H251655 3.227 1.742 3.024 + 1511TIP3 OH251656 3.351 1.658 2.296 + 1511TIP3 H151657 3.399 1.575 2.307 + 1511TIP3 H251658 3.415 1.722 2.332 + 1511TIP3 OH251659 3.205 1.927 2.403 + 1511TIP3 H151660 3.260 1.928 2.323 + 1511TIP3 H251661 3.238 2.005 2.449 + 1511TIP3 OH251662 3.252 1.563 1.808 + 1511TIP3 H151663 3.157 1.567 1.788 + 1511TIP3 H251664 3.292 1.623 1.742 + 1511TIP3 OH251665 3.255 1.448 2.621 + 1511TIP3 H151666 3.185 1.425 2.683 + 1511TIP3 H251667 3.207 1.505 2.559 + 1512TIP3 OH251668 3.452 2.777 3.093 + 1512TIP3 H151669 3.391 2.754 3.022 + 1512TIP3 H251670 3.406 2.745 3.172 + 1512TIP3 OH251671 3.736 2.870 2.648 + 1512TIP3 H151672 3.716 2.960 2.623 + 1512TIP3 H251673 3.834 2.870 2.641 + 1512TIP3 OH251674 4.195 3.034 2.949 + 1512TIP3 H151675 4.173 2.947 2.984 + 1512TIP3 H251676 4.288 3.021 2.927 + 1512TIP3 OH251677 3.486 3.170 2.688 + 1512TIP3 H151678 3.413 3.217 2.644 + 1512TIP3 H251679 3.445 3.150 2.773 + 1512TIP3 OH251680 3.737 3.200 2.530 + 1512TIP3 H151681 3.661 3.164 2.580 + 1512TIP3 H251682 3.697 3.212 2.443 + 1512TIP3 OH251683 4.189 3.122 2.502 + 1512TIP3 H151684 4.180 3.171 2.419 + 1512TIP3 H251685 4.266 3.164 2.542 + 1512TIP3 OH251686 3.448 3.046 2.390 + 1512TIP3 H151687 3.436 2.989 2.469 + 1512TIP3 H251688 3.510 2.992 2.338 + 1512TIP3 OH251689 3.635 2.906 2.237 + 1512TIP3 H151690 3.622 2.812 2.261 + 1512TIP3 H251691 3.728 2.918 2.263 + 1512TIP3 OH251692 3.910 2.959 2.325 + 1512TIP3 H151693 3.934 2.870 2.293 + 1512TIP3 H251694 3.932 2.949 2.419 + 1512TIP3 OH251695 4.250 1.463 2.264 + 1512TIP3 H151696 4.165 1.507 2.258 + 1512TIP3 H251697 4.297 1.504 2.190 + 1513TIP3 OH251698 3.481 1.416 2.005 + 1513TIP3 H151699 3.395 1.405 1.960 + 1513TIP3 H251700 3.521 1.328 1.990 + 1513TIP3 OH251701 3.367 1.363 1.595 + 1513TIP3 H151702 3.413 1.430 1.540 + 1513TIP3 H251703 3.319 1.418 1.658 + 1513TIP3 OH251704 3.942 1.381 2.012 + 1513TIP3 H151705 4.019 1.439 1.997 + 1513TIP3 H251706 3.910 1.411 2.098 + 1513TIP3 OH251707 3.381 2.961 1.709 + 1513TIP3 H151708 3.317 2.947 1.637 + 1513TIP3 H251709 3.378 3.057 1.716 + 1513TIP3 OH251710 3.532 1.545 1.435 + 1513TIP3 H151711 3.593 1.492 1.382 + 1513TIP3 H251712 3.592 1.580 1.504 + 1513TIP3 OH251713 4.061 1.565 1.694 + 1513TIP3 H151714 4.069 1.510 1.773 + 1513TIP3 H251715 4.060 1.654 1.733 + 1513TIP3 OH251716 4.265 3.123 1.518 + 1513TIP3 H151717 4.351 3.162 1.498 + 1513TIP3 H251718 4.248 3.066 1.441 + 1513TIP3 OH251719 3.461 1.439 2.955 + 1513TIP3 H151720 3.420 1.359 2.992 + 1513TIP3 H251721 3.553 1.427 2.984 + 1513TIP3 OH251722 3.699 1.377 3.130 + 1513TIP3 H151723 3.781 1.341 3.092 + 1513TIP3 H251724 3.662 1.298 3.173 + 1513TIP3 OH251725 3.523 3.055 1.387 + 1513TIP3 H151726 3.500 3.083 1.477 + 1513TIP3 H251727 3.600 2.998 1.402 + 1514TIP3 OH251728 -3.159 4.202 2.012 + 1514TIP3 H151729 -3.187 4.295 2.013 + 1514TIP3 H251730 -3.233 4.162 1.965 + 1514TIP3 OH251731 -3.280 4.133 2.340 + 1514TIP3 H151732 -3.275 4.080 2.421 + 1514TIP3 H251733 -3.304 4.068 2.273 + 1514TIP3 OH251734 -4.021 4.075 2.497 + 1514TIP3 H151735 -4.034 4.008 2.566 + 1514TIP3 H251736 -3.970 4.140 2.546 + 1514TIP3 OH251737 -4.212 3.903 1.785 + 1514TIP3 H151738 -4.245 3.988 1.817 + 1514TIP3 H251739 -4.293 3.854 1.770 + 1514TIP3 OH251740 -4.194 4.120 2.052 + 1514TIP3 H151741 -4.195 4.057 2.125 + 1514TIP3 H251742 -4.100 4.143 2.051 + 1514TIP3 OH251743 -2.559 3.521 2.458 + 1514TIP3 H151744 -2.536 3.584 2.528 + 1514TIP3 H251745 -2.500 3.551 2.387 + 1514TIP3 OH251746 -3.095 3.803 2.445 + 1514TIP3 H151747 -3.084 3.706 2.449 + 1514TIP3 H251748 -3.103 3.817 2.350 + 1514TIP3 OH251749 -3.796 3.605 2.151 + 1514TIP3 H151750 -3.784 3.692 2.108 + 1514TIP3 H251751 -3.836 3.554 2.078 + 1514TIP3 OH251752 -3.030 3.597 1.961 + 1514TIP3 H151753 -2.966 3.569 2.029 + 1514TIP3 H251754 -2.976 3.654 1.904 + 1514TIP3 OH251755 -4.145 3.874 2.203 + 1514TIP3 H151756 -4.080 3.843 2.269 + 1514TIP3 H251757 -4.117 3.822 2.125 + 1515TIP3 OH251758 -3.587 4.017 2.148 + 1515TIP3 H151759 -3.520 3.959 2.189 + 1515TIP3 H251760 -3.645 3.953 2.104 + 1515TIP3 OH251761 -2.487 3.659 2.706 + 1515TIP3 H151762 -2.544 3.732 2.676 + 1515TIP3 H251763 -2.507 3.658 2.801 + 1515TIP3 OH251764 -3.919 3.485 2.568 + 1515TIP3 H151765 -3.960 3.537 2.497 + 1515TIP3 H251766 -3.981 3.503 2.642 + 1515TIP3 OH251767 -3.647 4.266 2.546 + 1515TIP3 H151768 -3.728 4.317 2.556 + 1515TIP3 H251769 -3.582 4.338 2.539 + 1515TIP3 OH251770 -2.839 3.544 2.183 + 1515TIP3 H151771 -2.881 3.494 2.254 + 1515TIP3 H251772 -2.786 3.609 2.233 + 1515TIP3 OH251773 -3.959 3.689 2.362 + 1515TIP3 H151774 -3.897 3.748 2.410 + 1515TIP3 H251775 -3.899 3.654 2.292 + 1515TIP3 OH251776 -2.819 3.456 2.570 + 1515TIP3 H151777 -2.895 3.501 2.530 + 1515TIP3 H251778 -2.746 3.481 2.510 + 1515TIP3 OH251779 -3.503 3.233 2.276 + 1515TIP3 H151780 -3.530 3.139 2.273 + 1515TIP3 H251781 -3.585 3.274 2.313 + 1515TIP3 OH251782 -3.308 4.143 1.751 + 1515TIP3 H151783 -3.372 4.179 1.688 + 1515TIP3 H251784 -3.229 4.135 1.694 + 1515TIP3 OH251785 -3.269 3.941 1.471 + 1515TIP3 H151786 -3.197 3.980 1.524 + 1515TIP3 H251787 -3.216 3.890 1.407 + 1516TIP3 OH251788 -2.555 4.055 2.576 + 1516TIP3 H151789 -2.620 4.127 2.589 + 1516TIP3 H251790 -2.504 4.094 2.502 + 1516TIP3 OH251791 -2.937 4.139 1.852 + 1516TIP3 H151792 -3.001 4.162 1.922 + 1516TIP3 H251793 -2.869 4.090 1.901 + 1516TIP3 OH251794 -2.963 3.980 2.744 + 1516TIP3 H151795 -2.960 4.056 2.805 + 1516TIP3 H251796 -3.018 4.018 2.674 + 1516TIP3 OH251797 -3.771 4.217 2.042 + 1516TIP3 H151798 -3.799 4.183 1.955 + 1516TIP3 H251799 -3.701 4.154 2.067 + 1516TIP3 OH251800 -3.729 4.073 2.380 + 1516TIP3 H151801 -3.667 4.079 2.305 + 1516TIP3 H251802 -3.697 4.144 2.440 + 1516TIP3 OH251803 -3.058 4.080 1.614 + 1516TIP3 H151804 -2.999 4.102 1.689 + 1516TIP3 H251805 -3.007 4.122 1.539 + 1516TIP3 OH251806 -3.950 4.150 2.778 + 1516TIP3 H151807 -3.949 4.205 2.859 + 1516TIP3 H251808 -4.046 4.142 2.766 + 1516TIP3 OH251809 -2.725 3.255 1.546 + 1516TIP3 H151810 -2.794 3.262 1.613 + 1516TIP3 H251811 -2.677 3.338 1.558 + 1516TIP3 OH251812 -3.894 4.085 1.794 + 1516TIP3 H151813 -3.911 4.164 1.740 + 1516TIP3 H251814 -3.964 4.025 1.764 + 1516TIP3 OH251815 -4.221 4.264 2.669 + 1516TIP3 H151816 -4.257 4.320 2.599 + 1516TIP3 H251817 -4.287 4.268 2.739 + 1517TIP3 OH251818 -2.763 3.838 2.978 + 1517TIP3 H151819 -2.815 3.875 2.906 + 1517TIP3 H251820 -2.759 3.744 2.951 + 1517TIP3 OH251821 -3.748 3.348 2.365 + 1517TIP3 H151822 -3.833 3.340 2.319 + 1517TIP3 H251823 -3.768 3.421 2.426 + 1517TIP3 OH251824 -3.311 3.303 2.729 + 1517TIP3 H151825 -3.260 3.254 2.797 + 1517TIP3 H251826 -3.403 3.275 2.746 + 1517TIP3 OH251827 -2.994 3.685 2.783 + 1517TIP3 H151828 -3.055 3.670 2.859 + 1517TIP3 H251829 -3.002 3.781 2.767 + 1517TIP3 OH251830 -2.910 4.175 1.410 + 1517TIP3 H151831 -2.914 4.159 1.314 + 1517TIP3 H251832 -2.822 4.219 1.413 + 1517TIP3 OH251833 -3.332 3.544 1.459 + 1517TIP3 H151834 -3.398 3.563 1.527 + 1517TIP3 H251835 -3.383 3.493 1.395 + 1517TIP3 OH251836 -3.762 3.826 2.512 + 1517TIP3 H151837 -3.826 3.837 2.585 + 1517TIP3 H251838 -3.757 3.917 2.474 + 1517TIP3 OH251839 -3.770 3.832 1.997 + 1517TIP3 H151840 -3.866 3.831 1.979 + 1517TIP3 H251841 -3.735 3.819 1.907 + 1517TIP3 OH251842 -3.208 3.897 1.875 + 1517TIP3 H151843 -3.251 3.976 1.838 + 1517TIP3 H251844 -3.137 3.881 1.810 + 1517TIP3 OH251845 -3.286 3.920 3.016 + 1517TIP3 H151846 -3.337 3.844 3.050 + 1517TIP3 H251847 -3.198 3.905 3.055 + 1518TIP3 OH251848 -3.119 3.819 2.146 + 1518TIP3 H151849 -3.147 3.878 2.073 + 1518TIP3 H251850 -3.103 3.737 2.096 + 1518TIP3 OH251851 -4.007 3.834 2.688 + 1518TIP3 H151852 -4.029 3.895 2.761 + 1518TIP3 H251853 -4.047 3.752 2.721 + 1518TIP3 OH251854 -3.685 3.598 1.353 + 1518TIP3 H151855 -3.731 3.562 1.431 + 1518TIP3 H251856 -3.759 3.623 1.296 + 1518TIP3 OH251857 -4.326 3.602 2.060 + 1518TIP3 H151858 -4.296 3.584 2.152 + 1518TIP3 H251859 -4.279 3.536 2.010 + 1518TIP3 OH251860 -4.207 3.642 1.638 + 1518TIP3 H151861 -4.148 3.674 1.567 + 1518TIP3 H251862 -4.291 3.683 1.612 + 1518TIP3 OH251863 -3.225 3.997 2.595 + 1518TIP3 H151864 -3.170 3.930 2.548 + 1518TIP3 H251865 -3.252 3.947 2.673 + 1518TIP3 OH251866 -3.502 3.590 2.089 + 1518TIP3 H151867 -3.593 3.594 2.125 + 1518TIP3 H251868 -3.449 3.576 2.170 + 1518TIP3 OH251869 -4.043 3.719 1.964 + 1518TIP3 H151870 -4.113 3.741 1.900 + 1518TIP3 H251871 -4.007 3.637 1.927 + 1518TIP3 OH251872 -3.664 3.739 1.726 + 1518TIP3 H151873 -3.571 3.764 1.742 + 1518TIP3 H251874 -3.696 3.807 1.664 + 1518TIP3 OH251875 -3.057 3.501 2.397 + 1518TIP3 H151876 -3.117 3.505 2.474 + 1518TIP3 H251877 -3.121 3.477 2.327 + 1519TIP3 OH251878 -3.823 3.872 1.514 + 1519TIP3 H151879 -3.883 3.845 1.443 + 1519TIP3 H251880 -3.743 3.896 1.464 + 1519TIP3 OH251881 -3.963 4.308 2.999 + 1519TIP3 H151882 -3.898 4.357 3.054 + 1519TIP3 H251883 -4.040 4.306 3.059 + 1519TIP3 OH251884 -3.387 3.845 2.277 + 1519TIP3 H151885 -3.310 3.803 2.236 + 1519TIP3 H251886 -3.401 3.789 2.356 + 1519TIP3 OH251887 -3.872 3.483 1.910 + 1519TIP3 H151888 -3.922 3.400 1.911 + 1519TIP3 H251889 -3.798 3.463 1.853 + 1519TIP3 OH251890 -3.491 3.695 2.506 + 1519TIP3 H151891 -3.569 3.753 2.507 + 1519TIP3 H251892 -3.442 3.723 2.586 + 1519TIP3 OH251893 -3.530 4.365 1.728 + 1519TIP3 H151894 -3.557 4.302 1.658 + 1519TIP3 H251895 -3.463 4.319 1.779 + 1519TIP3 OH251896 -2.730 4.266 2.564 + 1519TIP3 H151897 -2.705 4.312 2.481 + 1519TIP3 H251898 -2.826 4.256 2.545 + 1519TIP3 OH251899 -3.078 3.558 1.541 + 1519TIP3 H151900 -3.163 3.587 1.502 + 1519TIP3 H251901 -3.040 3.644 1.569 + 1519TIP3 OH251902 -2.988 3.802 1.684 + 1519TIP3 H151903 -2.898 3.789 1.719 + 1519TIP3 H251904 -2.977 3.883 1.631 + 1519TIP3 OH251905 -3.974 4.214 2.227 + 1519TIP3 H151906 -3.886 4.233 2.188 + 1519TIP3 H251907 -3.950 4.167 2.309 + 1520TIP3 OH251908 -4.207 4.017 2.811 + 1520TIP3 H151909 -4.232 4.053 2.898 + 1520TIP3 H251910 -4.280 4.050 2.756 + 1520TIP3 OH251911 -3.541 4.051 3.007 + 1520TIP3 H151912 -3.580 4.026 2.921 + 1520TIP3 H251913 -3.447 4.028 2.993 + 1520TIP3 OH251914 -2.537 3.800 1.654 + 1520TIP3 H151915 -2.591 3.787 1.573 + 1520TIP3 H251916 -2.521 3.897 1.642 + 1520TIP3 OH251917 -2.989 4.180 2.432 + 1520TIP3 H151918 -3.080 4.183 2.398 + 1520TIP3 H251919 -2.941 4.135 2.361 + 1520TIP3 OH251920 -4.158 4.098 1.477 + 1520TIP3 H151921 -4.084 4.149 1.514 + 1520TIP3 H251922 -4.230 4.162 1.492 + 1520TIP3 OH251923 -4.104 3.565 2.763 + 1520TIP3 H151924 -4.185 3.618 2.769 + 1520TIP3 H251925 -4.124 3.485 2.815 + 1520TIP3 OH251926 -3.959 -4.393 1.638 + 1520TIP3 H151927 -4.051 -4.358 1.644 + 1520TIP3 H251928 -3.911 -4.312 1.616 + 1520TIP3 OH251929 -3.207 3.545 2.618 + 1520TIP3 H151930 -3.150 3.579 2.690 + 1520TIP3 H251931 -3.259 3.476 2.663 + 1520TIP3 OH251932 -3.397 3.687 1.839 + 1520TIP3 H151933 -3.323 3.750 1.856 + 1520TIP3 H251934 -3.425 3.666 1.930 + 1520TIP3 OH251935 -3.364 3.789 2.759 + 1520TIP3 H151936 -3.364 3.841 2.841 + 1520TIP3 H251937 -3.315 3.711 2.786 + 1521TIP3 OH251938 -3.778 3.495 1.597 + 1521TIP3 H151939 -3.764 3.579 1.646 + 1521TIP3 H251940 -3.697 3.446 1.614 + 1521TIP3 OH251941 -2.741 3.583 2.846 + 1521TIP3 H151942 -2.837 3.597 2.831 + 1521TIP3 H251943 -2.714 3.565 2.755 + 1521TIP3 OH251944 -2.889 3.966 2.242 + 1521TIP3 H151945 -2.971 3.919 2.220 + 1521TIP3 H251946 -2.841 3.899 2.295 + 1521TIP3 OH251947 -4.115 3.797 1.414 + 1521TIP3 H151948 -4.109 3.892 1.433 + 1521TIP3 H251949 -4.195 3.788 1.361 + 1521TIP3 OH251950 -4.022 3.292 2.282 + 1521TIP3 H151951 -4.060 3.295 2.192 + 1521TIP3 H251952 -4.068 3.216 2.321 + 1521TIP3 OH251953 -4.214 4.329 3.124 + 1521TIP3 H151954 -4.223 4.234 3.107 + 1521TIP3 H251955 -4.307 4.352 3.103 + 1521TIP3 OH251956 -3.585 4.329 3.045 + 1521TIP3 H151957 -3.585 4.345 2.948 + 1521TIP3 H251958 -3.552 4.237 3.049 + 1521TIP3 OH251959 -2.985 -4.376 2.819 + 1521TIP3 H151960 -2.906 -4.332 2.785 + 1521TIP3 H251961 -3.053 -4.311 2.800 + 1521TIP3 OH251962 -4.124 4.039 3.078 + 1521TIP3 H151963 -4.055 3.971 3.065 + 1521TIP3 H251964 -4.138 4.040 3.173 + 1521TIP3 OH251965 -3.661 4.161 1.570 + 1521TIP3 H151966 -3.727 4.121 1.628 + 1521TIP3 H251967 -3.647 4.091 1.503 + 1522TIP3 OH251968 -3.740 3.935 2.810 + 1522TIP3 H151969 -3.807 4.005 2.822 + 1522TIP3 H251970 -3.685 3.972 2.739 + 1522TIP3 OH251971 -3.578 3.954 1.397 + 1522TIP3 H151972 -3.580 3.973 1.301 + 1522TIP3 H251973 -3.483 3.958 1.415 + 1522TIP3 OH251974 -3.218 4.216 3.157 + 1522TIP3 H151975 -3.131 4.195 3.123 + 1522TIP3 H251976 -3.252 4.131 3.185 + 1522TIP3 OH251977 -2.663 4.219 1.301 + 1522TIP3 H151978 -2.601 4.172 1.244 + 1522TIP3 H251979 -2.613 4.298 1.327 + 1522TIP3 OH251980 -3.690 3.663 2.915 + 1522TIP3 H151981 -3.684 3.599 2.842 + 1522TIP3 H251982 -3.713 3.745 2.867 + 1522TIP3 OH251983 -3.655 3.507 2.657 + 1522TIP3 H151984 -3.605 3.565 2.596 + 1522TIP3 H251985 -3.748 3.515 2.625 + 1522TIP3 OH251986 -3.504 4.067 2.690 + 1522TIP3 H151987 -3.420 4.057 2.642 + 1522TIP3 H251988 -3.542 4.148 2.650 + 1522TIP3 OH251989 -3.043 3.849 3.175 + 1522TIP3 H151990 -3.023 3.756 3.195 + 1522TIP3 H251991 -2.954 3.887 3.174 + 1522TIP3 OH251992 -2.947 4.136 3.013 + 1522TIP3 H151993 -2.971 4.208 2.950 + 1522TIP3 H251994 -2.856 4.118 2.984 + 1522TIP3 OH251995 -3.874 3.849 3.102 + 1522TIP3 H151996 -3.929 3.769 3.091 + 1522TIP3 H251997 -3.796 3.826 3.049 + 1523TIP3 OH251998 -3.584 3.241 2.692 + 1523TIP3 H151999 -3.601 3.336 2.677 + 1523TIP3 H252000 -3.659 3.202 2.642 + 1523TIP3 OH252001 -3.457 3.700 3.073 + 1523TIP3 H152002 -3.491 3.681 3.162 + 1523TIP3 H252003 -3.537 3.682 3.020 + 1523TIP3 OH252004 -3.207 3.603 2.959 + 1523TIP3 H152005 -3.294 3.613 3.003 + 1523TIP3 H252006 -3.160 3.544 3.020 + 1523TIP3 OH252007 -3.021 3.453 3.132 + 1523TIP3 H152008 -3.037 3.358 3.151 + 1523TIP3 H252009 -3.038 3.496 3.218 + 1523TIP3 OH252010 -4.014 3.599 3.078 + 1523TIP3 H152011 -4.018 3.527 3.013 + 1523TIP3 H252012 -4.033 3.551 3.161 + 1523TIP3 OH252013 -3.603 3.192 2.977 + 1523TIP3 H152014 -3.543 3.116 2.983 + 1523TIP3 H252015 -3.604 3.208 2.880 + 1523TIP3 OH252016 -3.506 3.378 3.161 + 1523TIP3 H152017 -3.541 3.319 3.091 + 1523TIP3 H252018 -3.573 3.448 3.166 + 1523TIP3 OH252019 -2.567 4.364 1.761 + 1523TIP3 H152020 -2.474 4.361 1.731 + 1523TIP3 H252021 -2.581 4.274 1.796 + 1523TIP3 OH252022 -2.529 4.130 1.926 + 1523TIP3 H152023 -2.608 4.088 1.965 + 1523TIP3 H252024 -2.474 4.152 2.003 + 1523TIP3 OH252025 -2.514 4.075 1.592 + 1523TIP3 H152026 -2.527 4.104 1.500 + 1523TIP3 H252027 -2.484 4.156 1.633 + 1524TIP3 OH252028 -2.686 3.842 1.410 + 1524TIP3 H152029 -2.663 3.909 1.344 + 1524TIP3 H252030 -2.707 3.764 1.355 + 1524TIP3 OH252031 -2.759 3.964 1.998 + 1524TIP3 H152032 -2.760 3.868 1.985 + 1524TIP3 H252033 -2.794 3.972 2.089 + 1524TIP3 OH252034 -4.246 4.217 2.382 + 1524TIP3 H152035 -4.229 4.177 2.296 + 1524TIP3 H252036 -4.182 4.171 2.440 + 1524TIP3 OH252037 -2.671 4.160 2.919 + 1524TIP3 H152038 -2.599 4.101 2.948 + 1524TIP3 H252039 -2.627 4.244 2.897 + 1524TIP3 OH252040 -2.529 3.965 3.037 + 1524TIP3 H152041 -2.610 3.913 3.019 + 1524TIP3 H252042 -2.461 3.896 3.041 + 1524TIP3 OH252043 -2.741 3.576 1.330 + 1524TIP3 H152044 -2.682 3.527 1.390 + 1524TIP3 H252045 -2.819 3.520 1.322 + 1524TIP3 OH252046 -2.754 3.703 1.826 + 1524TIP3 H152047 -2.731 3.608 1.828 + 1524TIP3 H252048 -2.674 3.741 1.785 + 1524TIP3 OH252049 -2.737 3.765 2.367 + 1524TIP3 H152050 -2.641 3.779 2.364 + 1524TIP3 H252051 -2.752 3.773 2.463 + 1524TIP3 OH252052 -2.720 3.837 2.649 + 1524TIP3 H152053 -2.806 3.876 2.675 + 1524TIP3 H252054 -2.669 3.917 2.626 + 1524TIP3 OH252055 -4.296 3.699 2.976 + 1524TIP3 H152056 -4.208 3.688 3.015 + 1524TIP3 H252057 -4.356 3.654 3.037 + 1525TIP3 OH252058 -2.463 3.253 3.179 + 1525TIP3 H152059 -2.422 3.184 3.124 + 1525TIP3 H252060 -2.461 3.330 3.120 + 1525TIP3 OH252061 -2.734 3.405 1.816 + 1525TIP3 H152062 -2.703 3.390 1.908 + 1525TIP3 H252063 -2.814 3.352 1.816 + 1525TIP3 OH252064 -4.194 3.552 2.310 + 1525TIP3 H152065 -4.158 3.464 2.326 + 1525TIP3 H252066 -4.123 3.609 2.345 + 1525TIP3 OH252067 -4.333 3.807 2.403 + 1525TIP3 H152068 -4.280 3.780 2.327 + 1525TIP3 H252069 -4.324 3.903 2.400 + 1525TIP3 OH252070 -2.526 3.458 3.003 + 1525TIP3 H152071 -2.613 3.500 3.011 + 1525TIP3 H252072 -2.539 3.403 2.923 + 1525TIP3 OH252073 -2.522 3.467 1.493 + 1525TIP3 H152074 -2.484 3.393 1.442 + 1525TIP3 H252075 -2.446 3.527 1.502 + 1525TIP3 OH252076 -4.317 3.429 1.764 + 1525TIP3 H152077 -4.401 3.459 1.726 + 1525TIP3 H252078 -4.257 3.500 1.729 + 1525TIP3 OH252079 -4.294 3.322 2.595 + 1525TIP3 H152080 -4.359 3.319 2.669 + 1525TIP3 H252081 -4.337 3.377 2.527 + 1525TIP3 OH252082 -2.641 3.280 2.801 + 1525TIP3 H152083 -2.720 3.303 2.749 + 1525TIP3 H252084 -2.619 3.191 2.767 + 1525TIP3 OH252085 -3.289 3.428 2.234 + 1525TIP3 H152086 -3.359 3.362 2.250 + 1525TIP3 H252087 -3.224 3.379 2.180 + 1526TIP3 OH252088 -2.799 3.228 2.290 + 1526TIP3 H152089 -2.723 3.278 2.256 + 1526TIP3 H252090 -2.872 3.270 2.243 + 1526TIP3 OH252091 -2.602 3.346 2.067 + 1526TIP3 H152092 -2.525 3.303 2.026 + 1526TIP3 H252093 -2.566 3.436 2.084 + 1526TIP3 OH252094 -4.104 3.288 1.999 + 1526TIP3 H152095 -4.180 3.261 1.946 + 1526TIP3 H252096 -4.047 3.210 1.992 + 1526TIP3 OH252097 -4.181 3.249 1.584 + 1526TIP3 H152098 -4.131 3.316 1.533 + 1526TIP3 H252099 -4.234 3.306 1.642 + 1526TIP3 OH252100 -3.594 3.284 1.986 + 1526TIP3 H152101 -3.514 3.336 2.002 + 1526TIP3 H252102 -3.627 3.277 2.076 + 1526TIP3 OH252103 -3.064 3.283 2.124 + 1526TIP3 H152104 -3.020 3.260 2.041 + 1526TIP3 H252105 -3.092 3.196 2.157 + 1526TIP3 OH252106 -4.006 3.435 1.438 + 1526TIP3 H152107 -3.948 3.379 1.384 + 1526TIP3 H252108 -3.945 3.466 1.507 + 1526TIP3 OH252109 -3.438 3.431 1.715 + 1526TIP3 H152110 -3.491 3.381 1.779 + 1526TIP3 H252111 -3.465 3.522 1.736 + 1526TIP3 OH252112 -4.080 3.326 2.953 + 1526TIP3 H152113 -4.125 3.250 2.994 + 1526TIP3 H252114 -3.989 3.313 2.985 + 1526TIP3 OH252115 -3.845 3.263 3.129 + 1526TIP3 H152116 -3.763 3.227 3.091 + 1526TIP3 H252117 -3.879 3.185 3.176 + 1527TIP3 OH252118 -3.032 3.171 3.143 + 1527TIP3 H152119 -3.030 3.131 3.232 + 1527TIP3 H252120 -2.937 3.172 3.120 + 1527TIP3 OH252121 -1.273 4.205 2.011 + 1527TIP3 H152122 -1.305 4.296 2.008 + 1527TIP3 H252123 -1.346 4.159 1.967 + 1527TIP3 OH252124 -1.390 4.133 2.339 + 1527TIP3 H152125 -1.389 4.079 2.419 + 1527TIP3 H252126 -1.418 4.069 2.272 + 1527TIP3 OH252127 -2.148 4.081 2.499 + 1527TIP3 H152128 -2.149 4.008 2.563 + 1527TIP3 H252129 -2.075 4.134 2.533 + 1527TIP3 OH252130 -2.381 3.883 1.896 + 1527TIP3 H152131 -2.419 3.973 1.898 + 1527TIP3 H252132 -2.448 3.836 1.846 + 1527TIP3 OH252133 -2.283 4.135 2.083 + 1527TIP3 H152134 -2.283 4.052 2.135 + 1527TIP3 H252135 -2.207 4.118 2.026 + 1527TIP3 OH252136 -0.675 3.523 2.458 + 1527TIP3 H152137 -0.648 3.584 2.529 + 1527TIP3 H252138 -0.614 3.549 2.387 + 1527TIP3 OH252139 -1.209 3.802 2.447 + 1527TIP3 H152140 -1.196 3.705 2.446 + 1527TIP3 H252141 -1.219 3.820 2.352 + 1527TIP3 OH252142 -1.914 3.605 2.154 + 1527TIP3 H152143 -1.899 3.690 2.108 + 1527TIP3 H252144 -1.948 3.552 2.079 + 1527TIP3 OH252145 -1.128 3.624 1.985 + 1527TIP3 H152146 -1.070 3.580 2.050 + 1527TIP3 H252147 -1.063 3.667 1.928 + 1528TIP3 OH252148 -2.247 3.876 2.204 + 1528TIP3 H152149 -2.182 3.830 2.259 + 1528TIP3 H252150 -2.237 3.829 2.119 + 1528TIP3 OH252151 -1.703 4.019 2.151 + 1528TIP3 H152152 -1.636 3.960 2.191 + 1528TIP3 H252153 -1.758 3.955 2.101 + 1528TIP3 OH252154 -0.602 3.659 2.707 + 1528TIP3 H152155 -0.661 3.731 2.678 + 1528TIP3 H252156 -0.620 3.657 2.802 + 1528TIP3 OH252157 -2.034 3.484 2.568 + 1528TIP3 H152158 -2.074 3.535 2.496 + 1528TIP3 H252159 -2.100 3.500 2.639 + 1528TIP3 OH252160 -1.762 4.266 2.547 + 1528TIP3 H152161 -1.844 4.319 2.550 + 1528TIP3 H252162 -1.697 4.338 2.536 + 1528TIP3 OH252163 -0.946 3.548 2.187 + 1528TIP3 H152164 -0.981 3.483 2.249 + 1528TIP3 H252165 -0.894 3.606 2.245 + 1528TIP3 OH252166 -2.073 3.689 2.363 + 1528TIP3 H152167 -2.009 3.747 2.409 + 1528TIP3 H252168 -2.016 3.653 2.291 + 1528TIP3 OH252169 -0.936 3.472 2.573 + 1528TIP3 H152170 -1.013 3.499 2.518 + 1528TIP3 H252171 -0.862 3.482 2.511 + 1528TIP3 OH252172 -1.619 3.234 2.278 + 1528TIP3 H152173 -1.641 3.139 2.270 + 1528TIP3 H252174 -1.702 3.270 2.314 + 1528TIP3 OH252175 -1.423 4.145 1.751 + 1528TIP3 H152176 -1.488 4.179 1.689 + 1528TIP3 H252177 -1.346 4.134 1.692 + 1529TIP3 OH252178 -1.381 3.942 1.469 + 1529TIP3 H152179 -1.307 3.979 1.522 + 1529TIP3 H252180 -1.332 3.891 1.403 + 1529TIP3 OH252181 -0.669 4.056 2.576 + 1529TIP3 H152182 -0.737 4.127 2.585 + 1529TIP3 H252183 -0.618 4.092 2.500 + 1529TIP3 OH252184 -1.049 4.142 1.853 + 1529TIP3 H152185 -1.117 4.162 1.921 + 1529TIP3 H252186 -0.985 4.089 1.903 + 1529TIP3 OH252187 -1.077 3.969 2.748 + 1529TIP3 H152188 -1.076 4.045 2.809 + 1529TIP3 H252189 -1.134 4.005 2.677 + 1529TIP3 OH252190 -1.900 4.207 2.047 + 1529TIP3 H152191 -1.919 4.182 1.955 + 1529TIP3 H252192 -1.820 4.154 2.066 + 1529TIP3 OH252193 -1.842 4.065 2.389 + 1529TIP3 H152194 -1.788 4.073 2.308 + 1529TIP3 H252195 -1.812 4.142 2.442 + 1529TIP3 OH252196 -1.169 4.074 1.616 + 1529TIP3 H152197 -1.112 4.101 1.691 + 1529TIP3 H252198 -1.123 4.119 1.541 + 1529TIP3 OH252199 -2.058 4.145 2.773 + 1529TIP3 H152200 -2.046 4.209 2.847 + 1529TIP3 H252201 -2.155 4.139 2.771 + 1529TIP3 OH252202 -0.820 3.247 1.558 + 1529TIP3 H152203 -0.908 3.255 1.599 + 1529TIP3 H252204 -0.785 3.337 1.565 + 1529TIP3 OH252205 -2.008 4.078 1.802 + 1529TIP3 H152206 -2.025 4.160 1.749 + 1529TIP3 H252207 -2.068 4.016 1.759 + 1530TIP3 OH252208 -2.412 4.309 2.675 + 1530TIP3 H152209 -2.413 4.292 2.580 + 1530TIP3 H252210 -2.380 4.224 2.711 + 1530TIP3 OH252211 -0.891 3.833 2.982 + 1530TIP3 H152212 -0.925 3.876 2.902 + 1530TIP3 H252213 -0.875 3.742 2.950 + 1530TIP3 OH252214 -1.862 3.348 2.369 + 1530TIP3 H152215 -1.943 3.342 2.316 + 1530TIP3 H252216 -1.886 3.422 2.427 + 1530TIP3 OH252217 -1.423 3.308 2.737 + 1530TIP3 H152218 -1.372 3.250 2.796 + 1530TIP3 H252219 -1.514 3.272 2.745 + 1530TIP3 OH252220 -1.159 3.682 2.819 + 1530TIP3 H152221 -1.130 3.680 2.911 + 1530TIP3 H252222 -1.125 3.767 2.787 + 1530TIP3 OH252223 -1.030 4.176 1.410 + 1530TIP3 H152224 -1.037 4.159 1.315 + 1530TIP3 H252225 -0.940 4.214 1.416 + 1530TIP3 OH252226 -1.444 3.557 1.459 + 1530TIP3 H152227 -1.494 3.545 1.540 + 1530TIP3 H252228 -1.486 3.490 1.401 + 1530TIP3 OH252229 -1.873 3.824 2.516 + 1530TIP3 H152230 -1.939 3.838 2.586 + 1530TIP3 H252231 -1.866 3.914 2.476 + 1530TIP3 OH252232 -1.880 3.832 1.998 + 1530TIP3 H152233 -1.975 3.828 1.981 + 1530TIP3 H252234 -1.845 3.815 1.909 + 1530TIP3 OH252235 -1.320 3.901 1.878 + 1530TIP3 H152236 -1.368 3.974 1.836 + 1530TIP3 H252237 -1.254 3.878 1.810 + 1531TIP3 OH252238 -1.236 3.831 2.151 + 1531TIP3 H152239 -1.265 3.885 2.075 + 1531TIP3 H252240 -1.212 3.749 2.104 + 1531TIP3 OH252241 -2.134 3.840 2.688 + 1531TIP3 H152242 -2.119 3.881 2.775 + 1531TIP3 H252243 -2.172 3.754 2.713 + 1531TIP3 OH252244 -1.800 3.599 1.347 + 1531TIP3 H152245 -1.836 3.567 1.432 + 1531TIP3 H252246 -1.880 3.620 1.298 + 1531TIP3 OH252247 -2.460 3.584 2.060 + 1531TIP3 H152248 -2.396 3.589 2.134 + 1531TIP3 H252249 -2.406 3.555 1.986 + 1531TIP3 OH252250 -2.303 3.637 1.620 + 1531TIP3 H152251 -2.247 3.690 1.559 + 1531TIP3 H252252 -2.370 3.704 1.641 + 1531TIP3 OH252253 -1.337 3.996 2.596 + 1531TIP3 H152254 -1.285 3.930 2.545 + 1531TIP3 H252255 -1.372 3.941 2.668 + 1531TIP3 OH252256 -1.604 3.596 2.101 + 1531TIP3 H152257 -1.699 3.590 2.121 + 1531TIP3 H252258 -1.564 3.573 2.187 + 1531TIP3 OH252259 -2.153 3.714 1.971 + 1531TIP3 H152260 -2.229 3.745 1.919 + 1531TIP3 H252261 -2.119 3.639 1.919 + 1531TIP3 OH252262 -1.785 3.751 1.738 + 1531TIP3 H152263 -1.689 3.761 1.737 + 1531TIP3 H252264 -1.815 3.806 1.662 + 1531TIP3 OH252265 -1.167 3.508 2.405 + 1531TIP3 H152266 -1.236 3.509 2.475 + 1531TIP3 H252267 -1.219 3.473 2.331 + 1532TIP3 OH252268 -1.933 3.867 1.518 + 1532TIP3 H152269 -2.003 3.858 1.451 + 1532TIP3 H252270 -1.858 3.893 1.462 + 1532TIP3 OH252271 -2.046 4.316 2.978 + 1532TIP3 H152272 -1.991 4.364 3.043 + 1532TIP3 H252273 -2.128 4.304 3.032 + 1532TIP3 OH252274 -1.503 3.850 2.284 + 1532TIP3 H152275 -1.431 3.807 2.237 + 1532TIP3 H252276 -1.519 3.789 2.359 + 1532TIP3 OH252277 -1.974 3.491 1.900 + 1532TIP3 H152278 -2.027 3.410 1.913 + 1532TIP3 H252279 -1.893 3.456 1.860 + 1532TIP3 OH252280 -1.606 3.698 2.509 + 1532TIP3 H152281 -1.685 3.754 2.510 + 1532TIP3 H252282 -1.558 3.725 2.590 + 1532TIP3 OH252283 -1.631 4.366 1.718 + 1532TIP3 H152284 -1.678 4.300 1.662 + 1532TIP3 H252285 -1.586 4.312 1.784 + 1532TIP3 OH252286 -0.842 4.271 2.567 + 1532TIP3 H152287 -0.820 4.311 2.481 + 1532TIP3 H252288 -0.938 4.257 2.550 + 1532TIP3 OH252289 -1.176 3.617 1.474 + 1532TIP3 H152290 -1.275 3.613 1.469 + 1532TIP3 H252291 -1.159 3.690 1.536 + 1532TIP3 OH252292 -1.109 3.798 1.682 + 1532TIP3 H152293 -1.020 3.781 1.719 + 1532TIP3 H252294 -1.097 3.884 1.638 + 1532TIP3 OH252295 -2.044 4.252 2.273 + 1532TIP3 H152296 -1.991 4.243 2.191 + 1532TIP3 H252297 -2.043 4.162 2.307 + 1533TIP3 OH252298 -2.344 4.078 2.800 + 1533TIP3 H152299 -2.337 4.043 2.891 + 1533TIP3 H252300 -2.421 4.031 2.764 + 1533TIP3 OH252301 -1.642 4.036 3.005 + 1533TIP3 H152302 -1.679 4.023 2.916 + 1533TIP3 H252303 -1.547 4.044 2.987 + 1533TIP3 OH252304 -0.650 3.797 1.653 + 1533TIP3 H152305 -0.705 3.778 1.575 + 1533TIP3 H252306 -0.637 3.893 1.638 + 1533TIP3 OH252307 -1.102 4.180 2.432 + 1533TIP3 H152308 -1.193 4.183 2.399 + 1533TIP3 H252309 -1.056 4.133 2.360 + 1533TIP3 OH252310 -2.222 3.565 2.768 + 1533TIP3 H152311 -2.312 3.590 2.741 + 1533TIP3 H252312 -2.236 3.477 2.808 + 1533TIP3 OH252313 -2.077 -4.389 1.669 + 1533TIP3 H152314 -2.172 -4.369 1.658 + 1533TIP3 H252315 -2.039 -4.326 1.607 + 1533TIP3 OH252316 -1.329 3.553 2.624 + 1533TIP3 H152317 -1.266 3.577 2.694 + 1533TIP3 H252318 -1.375 3.475 2.661 + 1533TIP3 OH252319 -1.262 3.493 1.748 + 1533TIP3 H152320 -1.244 3.545 1.668 + 1533TIP3 H252321 -1.215 3.543 1.816 + 1533TIP3 OH252322 -1.517 3.692 1.842 + 1533TIP3 H152323 -1.441 3.751 1.858 + 1533TIP3 H252324 -1.549 3.676 1.933 + 1533TIP3 OH252325 -1.470 3.801 2.769 + 1533TIP3 H152326 -1.466 3.836 2.859 + 1533TIP3 H252327 -1.416 3.721 2.772 + 1534TIP3 OH252328 -1.461 3.394 1.937 + 1534TIP3 H152329 -1.481 3.465 2.001 + 1534TIP3 H252330 -1.388 3.434 1.885 + 1534TIP3 OH252331 -1.888 3.494 1.589 + 1534TIP3 H152332 -1.885 3.572 1.648 + 1534TIP3 H252333 -1.806 3.448 1.616 + 1534TIP3 OH252334 -0.866 3.590 2.843 + 1534TIP3 H152335 -0.961 3.583 2.824 + 1534TIP3 H252336 -0.831 3.565 2.756 + 1534TIP3 OH252337 -1.002 3.968 2.243 + 1534TIP3 H152338 -1.086 3.923 2.221 + 1534TIP3 H252339 -0.955 3.899 2.294 + 1534TIP3 OH252340 -2.241 3.831 1.416 + 1534TIP3 H152341 -2.221 3.925 1.397 + 1534TIP3 H252342 -2.323 3.822 1.367 + 1534TIP3 OH252343 -2.142 3.304 2.286 + 1534TIP3 H152344 -2.158 3.302 2.190 + 1534TIP3 H252345 -2.174 3.217 2.315 + 1534TIP3 OH252346 -2.291 4.307 3.090 + 1534TIP3 H152347 -2.314 4.213 3.097 + 1534TIP3 H252348 -2.373 4.352 3.068 + 1534TIP3 OH252349 -1.704 4.322 3.045 + 1534TIP3 H152350 -1.701 4.341 2.949 + 1534TIP3 H252351 -1.662 4.234 3.050 + 1534TIP3 OH252352 -1.099 -4.373 2.821 + 1534TIP3 H152353 -1.025 -4.326 2.780 + 1534TIP3 H252354 -1.173 -4.316 2.797 + 1534TIP3 OH252355 -2.234 4.023 3.064 + 1534TIP3 H152356 -2.157 3.965 3.058 + 1534TIP3 H252357 -2.233 4.045 3.158 + 1535TIP3 OH252358 -1.770 4.157 1.582 + 1535TIP3 H152359 -1.845 4.119 1.628 + 1535TIP3 H252360 -1.761 4.096 1.506 + 1535TIP3 OH252361 -1.857 3.935 2.809 + 1535TIP3 H152362 -1.918 4.010 2.823 + 1535TIP3 H252363 -1.800 3.969 2.739 + 1535TIP3 OH252364 -1.694 3.957 1.397 + 1535TIP3 H152365 -1.699 3.970 1.301 + 1535TIP3 H252366 -1.597 3.958 1.413 + 1535TIP3 OH252367 -1.350 4.167 3.119 + 1535TIP3 H152368 -1.259 4.198 3.129 + 1535TIP3 H252369 -1.370 4.137 3.209 + 1535TIP3 OH252370 -0.762 4.189 1.321 + 1535TIP3 H152371 -0.772 4.183 1.224 + 1535TIP3 H252372 -0.759 4.286 1.338 + 1535TIP3 OH252373 -1.792 3.667 2.919 + 1535TIP3 H152374 -1.794 3.599 2.849 + 1535TIP3 H252375 -1.818 3.746 2.870 + 1535TIP3 OH252376 -1.772 3.511 2.661 + 1535TIP3 H152377 -1.721 3.564 2.596 + 1535TIP3 H252378 -1.863 3.514 2.625 + 1535TIP3 OH252379 -1.617 4.070 2.693 + 1535TIP3 H152380 -1.536 4.059 2.639 + 1535TIP3 H252381 -1.658 4.148 2.651 + 1535TIP3 OH252382 -1.059 4.128 3.006 + 1535TIP3 H152383 -1.085 4.203 2.949 + 1535TIP3 H252384 -0.965 4.120 2.982 + 1535TIP3 OH252385 -1.987 3.848 3.097 + 1535TIP3 H152386 -2.039 3.766 3.093 + 1535TIP3 H252387 -1.906 3.823 3.049 + 1536TIP3 OH252388 -1.699 3.245 2.697 + 1536TIP3 H152389 -1.718 3.339 2.680 + 1536TIP3 H252390 -1.767 3.201 2.642 + 1536TIP3 OH252391 -1.537 3.703 3.085 + 1536TIP3 H152392 -1.596 3.686 3.161 + 1536TIP3 H252393 -1.603 3.693 3.014 + 1536TIP3 OH252394 -1.171 3.505 3.184 + 1536TIP3 H152395 -1.164 3.414 3.151 + 1536TIP3 H252396 -1.181 3.488 3.279 + 1536TIP3 OH252397 -2.117 3.594 3.077 + 1536TIP3 H152398 -2.127 3.523 3.012 + 1536TIP3 H252399 -2.139 3.547 3.160 + 1536TIP3 OH252400 -1.711 3.195 2.980 + 1536TIP3 H152401 -1.654 3.116 2.983 + 1536TIP3 H252402 -1.718 3.209 2.884 + 1536TIP3 OH252403 -1.611 3.386 3.164 + 1536TIP3 H152404 -1.642 3.325 3.095 + 1536TIP3 H252405 -1.683 3.452 3.168 + 1536TIP3 OH252406 -0.681 4.364 1.763 + 1536TIP3 H152407 -0.587 4.361 1.743 + 1536TIP3 H252408 -0.699 4.279 1.806 + 1536TIP3 OH252409 -0.645 4.131 1.925 + 1536TIP3 H152410 -0.723 4.088 1.964 + 1536TIP3 H252411 -0.590 4.152 2.002 + 1536TIP3 OH252412 -0.627 4.093 1.577 + 1536TIP3 H152413 -0.690 4.115 1.505 + 1536TIP3 H252414 -0.641 4.167 1.637 + 1536TIP3 OH252415 -0.800 3.843 1.411 + 1536TIP3 H152416 -0.780 3.906 1.339 + 1536TIP3 H252417 -0.824 3.762 1.362 + 1537TIP3 OH252418 -0.871 3.966 1.999 + 1537TIP3 H152419 -0.874 3.869 1.985 + 1537TIP3 H252420 -0.908 3.973 2.090 + 1537TIP3 OH252421 -2.386 4.187 2.397 + 1537TIP3 H152422 -2.376 4.204 2.302 + 1537TIP3 H252423 -2.295 4.161 2.421 + 1537TIP3 OH252424 -0.786 4.165 2.920 + 1537TIP3 H152425 -0.715 4.102 2.944 + 1537TIP3 H252426 -0.739 4.250 2.908 + 1537TIP3 OH252427 -0.647 3.964 3.030 + 1537TIP3 H152428 -0.726 3.908 3.020 + 1537TIP3 H252429 -0.576 3.897 3.041 + 1537TIP3 OH252430 -0.855 3.579 1.330 + 1537TIP3 H152431 -0.798 3.528 1.390 + 1537TIP3 H252432 -0.935 3.525 1.323 + 1537TIP3 OH252433 -0.872 3.706 1.826 + 1537TIP3 H152434 -0.849 3.611 1.831 + 1537TIP3 H252435 -0.792 3.741 1.784 + 1537TIP3 OH252436 -0.851 3.768 2.368 + 1537TIP3 H152437 -0.754 3.779 2.365 + 1537TIP3 H252438 -0.866 3.770 2.464 + 1537TIP3 OH252439 -0.838 3.839 2.655 + 1537TIP3 H152440 -0.924 3.881 2.675 + 1537TIP3 H252441 -0.784 3.915 2.627 + 1537TIP3 OH252442 -2.387 3.716 3.017 + 1537TIP3 H152443 -2.293 3.690 3.020 + 1537TIP3 H252444 -2.431 3.629 3.025 + 1537TIP3 OH252445 -0.582 3.253 3.176 + 1537TIP3 H152446 -0.537 3.184 3.123 + 1537TIP3 H252447 -0.575 3.331 3.119 + 1538TIP3 OH252448 -0.827 3.427 1.822 + 1538TIP3 H152449 -0.817 3.392 1.913 + 1538TIP3 H252450 -0.906 3.378 1.792 + 1538TIP3 OH252451 -2.308 3.546 2.299 + 1538TIP3 H152452 -2.260 3.461 2.305 + 1538TIP3 H252453 -2.240 3.608 2.332 + 1538TIP3 OH252454 -2.454 3.814 2.404 + 1538TIP3 H152455 -2.395 3.813 2.327 + 1538TIP3 H252456 -2.422 3.894 2.449 + 1538TIP3 OH252457 -0.640 3.461 2.999 + 1538TIP3 H152458 -0.729 3.497 3.014 + 1538TIP3 H252459 -0.656 3.404 2.922 + 1538TIP3 OH252460 -0.630 3.475 1.490 + 1538TIP3 H152461 -0.600 3.395 1.444 + 1538TIP3 H252462 -0.548 3.527 1.495 + 1538TIP3 OH252463 -2.416 3.449 1.801 + 1538TIP3 H152464 -2.509 3.461 1.777 + 1538TIP3 H252465 -2.370 3.509 1.741 + 1538TIP3 OH252466 -2.400 3.336 2.622 + 1538TIP3 H152467 -2.471 3.311 2.683 + 1538TIP3 H252468 -2.449 3.390 2.557 + 1538TIP3 OH252469 -0.757 3.280 2.803 + 1538TIP3 H152470 -0.836 3.296 2.748 + 1538TIP3 H252471 -0.731 3.191 2.771 + 1538TIP3 OH252472 -1.411 3.429 2.250 + 1538TIP3 H152473 -1.480 3.361 2.262 + 1538TIP3 H252474 -1.352 3.385 2.188 + 1538TIP3 OH252475 -0.917 3.239 2.298 + 1538TIP3 H152476 -0.840 3.276 2.251 + 1538TIP3 H252477 -0.990 3.258 2.237 + 1539TIP3 OH252478 -0.707 3.343 2.084 + 1539TIP3 H152479 -0.638 3.299 2.031 + 1539TIP3 H252480 -0.675 3.435 2.089 + 1539TIP3 OH252481 -2.178 3.300 2.005 + 1539TIP3 H152482 -2.264 3.285 1.960 + 1539TIP3 H252483 -2.133 3.215 1.989 + 1539TIP3 OH252484 -2.296 3.250 1.594 + 1539TIP3 H152485 -2.243 3.314 1.541 + 1539TIP3 H252486 -2.337 3.308 1.660 + 1539TIP3 OH252487 -1.730 3.286 1.992 + 1539TIP3 H152488 -1.638 3.312 1.975 + 1539TIP3 H252489 -1.729 3.273 2.088 + 1539TIP3 OH252490 -1.169 3.288 2.133 + 1539TIP3 H152491 -1.142 3.271 2.042 + 1539TIP3 H252492 -1.209 3.202 2.158 + 1539TIP3 OH252493 -1.058 3.289 1.731 + 1539TIP3 H152494 -1.141 3.338 1.715 + 1539TIP3 H252495 -1.092 3.199 1.749 + 1539TIP3 OH252496 -2.124 3.427 1.437 + 1539TIP3 H152497 -2.059 3.377 1.383 + 1539TIP3 H252498 -2.066 3.465 1.505 + 1539TIP3 OH252499 -1.616 3.450 1.697 + 1539TIP3 H152500 -1.579 3.392 1.765 + 1539TIP3 H252501 -1.594 3.537 1.734 + 1539TIP3 OH252502 -2.197 3.324 2.956 + 1539TIP3 H152503 -2.236 3.243 2.992 + 1539TIP3 H252504 -2.104 3.312 2.983 + 1539TIP3 OH252505 -1.957 3.264 3.132 + 1539TIP3 H152506 -1.875 3.229 3.091 + 1539TIP3 H252507 -1.993 3.184 3.173 + 1540TIP3 OH252508 -1.143 3.204 3.149 + 1540TIP3 H152509 -1.145 3.153 3.233 + 1540TIP3 H252510 -1.049 3.193 3.123 + 1540TIP3 OH252511 0.607 4.204 2.024 + 1540TIP3 H152512 0.584 4.296 2.001 + 1540TIP3 H252513 0.540 4.157 1.972 + 1540TIP3 OH252514 -0.258 4.078 2.496 + 1540TIP3 H152515 -0.263 4.006 2.561 + 1540TIP3 H252516 -0.194 4.137 2.539 + 1540TIP3 OH252517 -0.492 3.888 1.894 + 1540TIP3 H152518 -0.539 3.973 1.898 + 1540TIP3 H252519 -0.560 3.831 1.854 + 1540TIP3 OH252520 -0.394 4.137 2.084 + 1540TIP3 H152521 -0.398 4.054 2.135 + 1540TIP3 H252522 -0.321 4.115 2.024 + 1540TIP3 OH252523 1.206 3.531 2.453 + 1540TIP3 H152524 1.236 3.586 2.527 + 1540TIP3 H252525 1.272 3.554 2.385 + 1540TIP3 OH252526 0.664 3.824 2.444 + 1540TIP3 H152527 0.676 3.735 2.481 + 1540TIP3 H252528 0.663 3.804 2.349 + 1540TIP3 OH252529 -0.028 3.607 2.153 + 1540TIP3 H152530 -0.015 3.691 2.105 + 1540TIP3 H252531 -0.062 3.552 2.079 + 1540TIP3 OH252532 0.758 3.624 1.984 + 1540TIP3 H152533 0.816 3.579 2.050 + 1540TIP3 H252534 0.824 3.666 1.928 + 1540TIP3 OH252535 -0.360 3.878 2.202 + 1540TIP3 H152536 -0.298 3.830 2.259 + 1540TIP3 H252537 -0.351 3.829 2.119 + 1541TIP3 OH252538 0.181 4.019 2.151 + 1541TIP3 H152539 0.249 3.962 2.192 + 1541TIP3 H252540 0.128 3.954 2.101 + 1541TIP3 OH252541 1.283 3.662 2.705 + 1541TIP3 H152542 1.225 3.735 2.678 + 1541TIP3 H252543 1.260 3.656 2.799 + 1541TIP3 OH252544 -0.146 3.485 2.568 + 1541TIP3 H152545 -0.189 3.533 2.496 + 1541TIP3 H252546 -0.212 3.497 2.639 + 1541TIP3 OH252547 0.120 4.261 2.550 + 1541TIP3 H152548 0.039 4.314 2.552 + 1541TIP3 H252549 0.186 4.332 2.543 + 1541TIP3 OH252550 0.939 3.549 2.187 + 1541TIP3 H152551 0.904 3.485 2.251 + 1541TIP3 H252552 0.995 3.604 2.243 + 1541TIP3 OH252553 -0.188 3.689 2.362 + 1541TIP3 H152554 -0.123 3.747 2.407 + 1541TIP3 H252555 -0.131 3.652 2.291 + 1541TIP3 OH252556 0.952 3.464 2.571 + 1541TIP3 H152557 0.875 3.500 2.524 + 1541TIP3 H252558 1.025 3.481 2.509 + 1541TIP3 OH252559 0.266 3.234 2.277 + 1541TIP3 H152560 0.245 3.139 2.272 + 1541TIP3 H252561 0.184 3.270 2.315 + 1541TIP3 OH252562 0.464 4.147 1.752 + 1541TIP3 H152563 0.398 4.173 1.687 + 1541TIP3 H252564 0.541 4.133 1.694 + 1541TIP3 OH252565 0.504 3.942 1.471 + 1541TIP3 H152566 0.579 3.979 1.521 + 1541TIP3 H252567 0.552 3.892 1.403 + 1542TIP3 OH252568 1.209 4.047 2.567 + 1542TIP3 H152569 1.156 4.124 2.595 + 1542TIP3 H252570 1.271 4.092 2.507 + 1542TIP3 OH252571 0.836 4.139 1.854 + 1542TIP3 H152572 0.771 4.160 1.922 + 1542TIP3 H252573 0.902 4.088 1.904 + 1542TIP3 OH252574 0.789 3.985 2.733 + 1542TIP3 H152575 0.794 4.035 2.816 + 1542TIP3 H252576 0.747 4.050 2.678 + 1542TIP3 OH252577 -0.011 4.206 2.047 + 1542TIP3 H152578 -0.035 4.182 1.955 + 1542TIP3 H252579 0.065 4.148 2.063 + 1542TIP3 OH252580 0.046 4.063 2.388 + 1542TIP3 H152581 0.097 4.073 2.306 + 1542TIP3 H252582 0.072 4.142 2.440 + 1542TIP3 OH252583 0.715 4.076 1.617 + 1542TIP3 H152584 0.775 4.101 1.690 + 1542TIP3 H252585 0.761 4.120 1.541 + 1542TIP3 OH252586 -0.173 4.146 2.773 + 1542TIP3 H152587 -0.162 4.208 2.848 + 1542TIP3 H252588 -0.270 4.146 2.766 + 1542TIP3 OH252589 1.066 3.247 1.558 + 1542TIP3 H152590 0.979 3.256 1.600 + 1542TIP3 H252591 1.101 3.337 1.564 + 1542TIP3 OH252592 -0.129 4.091 1.801 + 1542TIP3 H152593 -0.141 4.167 1.740 + 1542TIP3 H252594 -0.185 4.023 1.761 + 1542TIP3 OH252595 -0.487 4.318 2.656 + 1542TIP3 H152596 -0.547 4.299 2.583 + 1542TIP3 H252597 -0.496 4.239 2.713 + 1543TIP3 OH252598 1.008 3.836 2.979 + 1543TIP3 H152599 0.965 3.871 2.900 + 1543TIP3 H252600 1.014 3.742 2.956 + 1543TIP3 OH252601 0.024 3.350 2.368 + 1543TIP3 H152602 -0.057 3.342 2.315 + 1543TIP3 H252603 -0.003 3.421 2.429 + 1543TIP3 OH252604 0.461 3.306 2.732 + 1543TIP3 H152605 0.514 3.254 2.795 + 1543TIP3 H252606 0.370 3.271 2.746 + 1543TIP3 OH252607 0.774 3.683 2.782 + 1543TIP3 H152608 0.716 3.665 2.859 + 1543TIP3 H252609 0.760 3.778 2.766 + 1543TIP3 OH252610 0.855 4.175 1.411 + 1543TIP3 H152611 0.849 4.159 1.315 + 1543TIP3 H252612 0.944 4.215 1.417 + 1543TIP3 OH252613 0.441 3.558 1.459 + 1543TIP3 H152614 0.391 3.543 1.541 + 1543TIP3 H252615 0.401 3.490 1.402 + 1543TIP3 OH252616 0.014 3.826 2.518 + 1543TIP3 H152617 -0.057 3.835 2.583 + 1543TIP3 H252618 0.015 3.914 2.473 + 1543TIP3 OH252619 0.004 3.836 1.996 + 1543TIP3 H152620 -0.091 3.826 1.980 + 1543TIP3 H252621 0.039 3.815 1.907 + 1543TIP3 OH252622 0.567 3.902 1.882 + 1543TIP3 H152623 0.518 3.973 1.837 + 1543TIP3 H252624 0.633 3.878 1.814 + 1543TIP3 OH252625 0.484 3.921 3.019 + 1543TIP3 H152626 0.433 3.843 3.049 + 1543TIP3 H252627 0.572 3.904 3.058 + 1544TIP3 OH252628 0.657 3.836 2.151 + 1544TIP3 H152629 0.626 3.883 2.071 + 1544TIP3 H252630 0.679 3.750 2.110 + 1544TIP3 OH252631 -0.249 3.841 2.691 + 1544TIP3 H152632 -0.234 3.877 2.779 + 1544TIP3 H252633 -0.286 3.754 2.712 + 1544TIP3 OH252634 0.084 3.605 1.350 + 1544TIP3 H152635 0.048 3.566 1.432 + 1544TIP3 H252636 0.006 3.615 1.295 + 1544TIP3 OH252637 -0.570 3.594 2.056 + 1544TIP3 H152638 -0.509 3.586 2.132 + 1544TIP3 H252639 -0.522 3.551 1.984 + 1544TIP3 OH252640 -0.411 3.635 1.630 + 1544TIP3 H152641 -0.358 3.682 1.562 + 1544TIP3 H252642 -0.482 3.698 1.645 + 1544TIP3 OH252643 0.284 3.608 2.109 + 1544TIP3 H152644 0.189 3.592 2.125 + 1544TIP3 H252645 0.324 3.570 2.189 + 1544TIP3 OH252646 -0.263 3.717 1.968 + 1544TIP3 H152647 -0.344 3.742 1.920 + 1544TIP3 H252648 -0.233 3.638 1.920 + 1544TIP3 OH252649 0.101 3.755 1.738 + 1544TIP3 H152650 0.198 3.758 1.738 + 1544TIP3 H252651 0.076 3.809 1.661 + 1544TIP3 OH252652 0.719 3.514 2.402 + 1544TIP3 H152653 0.654 3.513 2.475 + 1544TIP3 H252654 0.664 3.479 2.330 + 1544TIP3 OH252655 -0.055 3.877 1.514 + 1544TIP3 H152656 -0.112 3.844 1.443 + 1544TIP3 H252657 0.027 3.897 1.464 + 1545TIP3 OH252658 -0.167 4.317 2.978 + 1545TIP3 H152659 -0.108 4.362 3.042 + 1545TIP3 H252660 -0.246 4.305 3.035 + 1545TIP3 OH252661 0.400 3.877 2.308 + 1545TIP3 H152662 0.445 3.825 2.240 + 1545TIP3 H252663 0.368 3.806 2.368 + 1545TIP3 OH252664 -0.087 3.490 1.901 + 1545TIP3 H152665 -0.144 3.412 1.913 + 1545TIP3 H252666 -0.009 3.451 1.860 + 1545TIP3 OH252667 0.284 3.704 2.495 + 1545TIP3 H152668 0.199 3.749 2.510 + 1545TIP3 H252669 0.331 3.715 2.579 + 1545TIP3 OH252670 0.241 4.363 1.734 + 1545TIP3 H152671 0.213 4.306 1.660 + 1545TIP3 H252672 0.315 4.316 1.775 + 1545TIP3 OH252673 1.017 4.257 2.559 + 1545TIP3 H152674 1.079 4.299 2.497 + 1545TIP3 H252675 0.937 4.272 2.507 + 1545TIP3 OH252676 0.709 3.615 1.476 + 1545TIP3 H152677 0.611 3.614 1.469 + 1545TIP3 H252678 0.726 3.690 1.536 + 1545TIP3 OH252679 0.777 3.799 1.685 + 1545TIP3 H152680 0.866 3.781 1.721 + 1545TIP3 H252681 0.790 3.883 1.638 + 1545TIP3 OH252682 -0.157 4.254 2.272 + 1545TIP3 H152683 -0.104 4.240 2.191 + 1545TIP3 H252684 -0.162 4.164 2.308 + 1545TIP3 OH252685 -0.474 4.091 2.811 + 1545TIP3 H152686 -0.455 4.045 2.895 + 1545TIP3 H252687 -0.533 4.029 2.765 + 1546TIP3 OH252688 0.229 4.053 3.007 + 1546TIP3 H152689 0.189 4.020 2.925 + 1546TIP3 H252690 0.323 4.028 2.995 + 1546TIP3 OH252691 1.235 3.798 1.654 + 1546TIP3 H152692 1.181 3.778 1.574 + 1546TIP3 H252693 1.248 3.894 1.638 + 1546TIP3 OH252694 -0.363 4.094 1.458 + 1546TIP3 H152695 -0.304 4.155 1.505 + 1546TIP3 H252696 -0.448 4.111 1.502 + 1546TIP3 OH252697 -0.336 3.565 2.766 + 1546TIP3 H152698 -0.427 3.589 2.741 + 1546TIP3 H252699 -0.349 3.478 2.808 + 1546TIP3 OH252700 -0.186 -4.386 1.644 + 1546TIP3 H152701 -0.277 -4.352 1.655 + 1546TIP3 H252702 -0.140 -4.306 1.617 + 1546TIP3 OH252703 0.559 3.550 2.623 + 1546TIP3 H152704 0.622 3.573 2.693 + 1546TIP3 H252705 0.512 3.474 2.661 + 1546TIP3 OH252706 0.622 3.494 1.748 + 1546TIP3 H152707 0.643 3.543 1.667 + 1546TIP3 H252708 0.673 3.542 1.815 + 1546TIP3 OH252709 0.366 3.694 1.843 + 1546TIP3 H152710 0.445 3.749 1.857 + 1546TIP3 H252711 0.337 3.677 1.934 + 1546TIP3 OH252712 0.405 3.794 2.755 + 1546TIP3 H152713 0.421 3.851 2.833 + 1546TIP3 H252714 0.459 3.717 2.777 + 1546TIP3 OH252715 0.425 3.395 1.936 + 1546TIP3 H152716 0.410 3.464 2.003 + 1546TIP3 H252717 0.498 3.434 1.884 + 1547TIP3 OH252718 -0.003 3.494 1.589 + 1547TIP3 H152719 -0.000 3.569 1.650 + 1547TIP3 H252720 0.079 3.446 1.615 + 1547TIP3 OH252721 1.031 3.585 2.846 + 1547TIP3 H152722 0.936 3.596 2.832 + 1547TIP3 H252723 1.057 3.559 2.756 + 1547TIP3 OH252724 0.846 3.993 2.289 + 1547TIP3 H152725 0.798 3.936 2.226 + 1547TIP3 H252726 0.920 3.935 2.316 + 1547TIP3 OH252727 -0.350 3.800 1.411 + 1547TIP3 H152728 -0.336 3.895 1.427 + 1547TIP3 H252729 -0.433 3.799 1.362 + 1547TIP3 OH252730 -0.256 3.305 2.286 + 1547TIP3 H152731 -0.273 3.302 2.190 + 1547TIP3 H252732 -0.289 3.218 2.316 + 1547TIP3 OH252733 -0.408 4.312 3.099 + 1547TIP3 H152734 -0.421 4.216 3.109 + 1547TIP3 H252735 -0.494 4.342 3.066 + 1547TIP3 OH252736 0.186 4.329 3.044 + 1547TIP3 H152737 0.187 4.345 2.948 + 1547TIP3 H252738 0.221 4.238 3.049 + 1547TIP3 OH252739 0.783 -4.378 2.807 + 1547TIP3 H152740 0.864 -4.333 2.783 + 1547TIP3 H252741 0.721 -4.304 2.812 + 1547TIP3 OH252742 -0.347 4.025 3.065 + 1547TIP3 H152743 -0.269 3.967 3.059 + 1547TIP3 H252744 -0.348 4.044 3.161 + 1547TIP3 OH252745 0.111 4.160 1.572 + 1547TIP3 H152746 0.044 4.118 1.628 + 1547TIP3 H252747 0.125 4.094 1.503 + 1548TIP3 OH252748 0.036 3.941 2.809 + 1548TIP3 H152749 -0.032 4.009 2.828 + 1548TIP3 H252750 0.068 3.970 2.723 + 1548TIP3 OH252751 0.193 3.957 1.399 + 1548TIP3 H152752 0.189 3.970 1.302 + 1548TIP3 H252753 0.289 3.956 1.414 + 1548TIP3 OH252754 0.553 4.216 3.154 + 1548TIP3 H152755 0.642 4.193 3.128 + 1548TIP3 H252756 0.517 4.133 3.185 + 1548TIP3 OH252757 1.121 4.189 1.321 + 1548TIP3 H152758 1.114 4.183 1.224 + 1548TIP3 H252759 1.127 4.285 1.337 + 1548TIP3 OH252760 0.080 3.662 2.915 + 1548TIP3 H152761 0.087 3.597 2.843 + 1548TIP3 H252762 0.062 3.744 2.866 + 1548TIP3 OH252763 0.114 3.513 2.660 + 1548TIP3 H152764 0.164 3.559 2.591 + 1548TIP3 H252765 0.023 3.512 2.625 + 1548TIP3 OH252766 0.322 4.096 2.682 + 1548TIP3 H152767 0.328 4.024 2.619 + 1548TIP3 H252768 0.245 4.147 2.653 + 1548TIP3 OH252769 0.729 3.849 3.177 + 1548TIP3 H152770 0.746 3.755 3.194 + 1548TIP3 H252771 0.819 3.884 3.174 + 1548TIP3 OH252772 0.826 4.127 3.000 + 1548TIP3 H152773 0.802 4.203 2.942 + 1548TIP3 H252774 0.921 4.120 2.981 + 1548TIP3 OH252775 -0.105 3.853 3.088 + 1548TIP3 H152776 -0.155 3.769 3.094 + 1548TIP3 H252777 -0.020 3.822 3.053 + 1549TIP3 OH252778 0.186 3.244 2.696 + 1549TIP3 H152779 0.168 3.339 2.680 + 1549TIP3 H252780 0.116 3.201 2.642 + 1549TIP3 OH252781 0.313 3.702 3.072 + 1549TIP3 H152782 0.281 3.681 3.161 + 1549TIP3 H252783 0.233 3.681 3.020 + 1549TIP3 OH252784 0.566 3.606 2.960 + 1549TIP3 H152785 0.478 3.612 3.001 + 1549TIP3 H252786 0.612 3.543 3.019 + 1549TIP3 OH252787 0.750 3.454 3.132 + 1549TIP3 H152788 0.736 3.359 3.148 + 1549TIP3 H252789 0.733 3.494 3.219 + 1549TIP3 OH252790 -0.232 3.594 3.079 + 1549TIP3 H152791 -0.240 3.523 3.013 + 1549TIP3 H252792 -0.254 3.546 3.161 + 1549TIP3 OH252793 0.170 3.192 2.977 + 1549TIP3 H152794 0.230 3.115 2.983 + 1549TIP3 H252795 0.168 3.206 2.881 + 1549TIP3 OH252796 0.265 3.379 3.162 + 1549TIP3 H152797 0.235 3.319 3.090 + 1549TIP3 H252798 0.195 3.446 3.164 + 1549TIP3 OH252799 1.199 4.357 1.757 + 1549TIP3 H152800 1.295 4.367 1.747 + 1549TIP3 H252801 1.190 4.277 1.810 + 1549TIP3 OH252802 1.233 4.133 1.923 + 1549TIP3 H152803 1.161 4.087 1.970 + 1549TIP3 H252804 1.301 4.146 1.992 + 1549TIP3 OH252805 1.257 4.093 1.577 + 1549TIP3 H152806 1.196 4.117 1.506 + 1549TIP3 H252807 1.246 4.168 1.637 + 1550TIP3 OH252808 1.085 3.843 1.411 + 1550TIP3 H152809 1.105 3.906 1.340 + 1550TIP3 H252810 1.061 3.762 1.361 + 1550TIP3 OH252811 1.001 3.963 2.011 + 1550TIP3 H152812 1.008 3.867 1.998 + 1550TIP3 H252813 0.978 3.970 2.105 + 1550TIP3 OH252814 -0.507 4.181 2.385 + 1550TIP3 H152815 -0.485 4.195 2.291 + 1550TIP3 H252816 -0.419 4.172 2.425 + 1550TIP3 OH252817 1.098 4.165 2.926 + 1550TIP3 H152818 1.169 4.099 2.945 + 1550TIP3 H252819 1.146 4.244 2.896 + 1550TIP3 OH252820 1.243 3.965 3.033 + 1550TIP3 H152821 1.161 3.912 3.019 + 1550TIP3 H252822 1.310 3.895 3.041 + 1550TIP3 OH252823 1.030 3.579 1.330 + 1550TIP3 H152824 1.089 3.529 1.389 + 1550TIP3 H252825 0.951 3.524 1.323 + 1550TIP3 OH252826 1.013 3.709 1.829 + 1550TIP3 H152827 1.037 3.614 1.833 + 1550TIP3 H252828 1.093 3.745 1.786 + 1550TIP3 OH252829 1.032 3.785 2.364 + 1550TIP3 H152830 1.130 3.785 2.361 + 1550TIP3 H252831 1.018 3.773 2.459 + 1550TIP3 OH252832 1.041 3.844 2.660 + 1550TIP3 H152833 0.954 3.885 2.674 + 1550TIP3 H252834 1.094 3.920 2.628 + 1550TIP3 OH252835 -0.502 3.716 3.015 + 1550TIP3 H152836 -0.408 3.691 3.022 + 1550TIP3 H252837 -0.544 3.629 3.024 + 1551TIP3 OH252838 1.307 3.253 3.179 + 1551TIP3 H152839 1.349 3.183 3.125 + 1551TIP3 H252840 1.311 3.330 3.120 + 1551TIP3 OH252841 1.057 3.430 1.822 + 1551TIP3 H152842 1.071 3.395 1.912 + 1551TIP3 H252843 0.979 3.378 1.794 + 1551TIP3 OH252844 -0.423 3.547 2.299 + 1551TIP3 H152845 -0.378 3.461 2.304 + 1551TIP3 H252846 -0.354 3.607 2.332 + 1551TIP3 OH252847 -0.567 3.815 2.406 + 1551TIP3 H152848 -0.511 3.809 2.327 + 1551TIP3 H252849 -0.534 3.896 2.446 + 1551TIP3 OH252850 1.246 3.458 3.003 + 1551TIP3 H152851 1.158 3.499 3.009 + 1551TIP3 H252852 1.234 3.402 2.924 + 1551TIP3 OH252853 1.255 3.476 1.488 + 1551TIP3 H152854 1.286 3.395 1.444 + 1551TIP3 H252855 1.337 3.527 1.497 + 1551TIP3 OH252856 -0.519 3.451 1.810 + 1551TIP3 H152857 -0.614 3.452 1.787 + 1551TIP3 H252858 -0.479 3.509 1.742 + 1551TIP3 OH252859 -0.513 3.339 2.624 + 1551TIP3 H152860 -0.584 3.308 2.681 + 1551TIP3 H252861 -0.564 3.388 2.556 + 1551TIP3 OH252862 1.132 3.280 2.801 + 1551TIP3 H152863 1.051 3.298 2.751 + 1551TIP3 H252864 1.154 3.190 2.770 + 1551TIP3 OH252865 0.471 3.431 2.245 + 1551TIP3 H152866 0.405 3.361 2.262 + 1551TIP3 H252867 0.535 3.384 2.190 + 1552TIP3 OH252868 0.969 3.237 2.297 + 1552TIP3 H152869 1.046 3.276 2.253 + 1552TIP3 H252870 0.896 3.260 2.237 + 1552TIP3 OH252871 1.176 3.343 2.080 + 1552TIP3 H152872 1.248 3.299 2.031 + 1552TIP3 H252873 1.211 3.434 2.089 + 1552TIP3 OH252874 -0.290 3.300 2.005 + 1552TIP3 H152875 -0.377 3.288 1.960 + 1552TIP3 H252876 -0.249 3.213 1.989 + 1552TIP3 OH252877 -0.408 3.250 1.592 + 1552TIP3 H152878 -0.358 3.315 1.540 + 1552TIP3 H252879 -0.450 3.305 1.660 + 1552TIP3 OH252880 0.156 3.288 1.992 + 1552TIP3 H152881 0.250 3.311 1.976 + 1552TIP3 H252882 0.156 3.273 2.087 + 1552TIP3 OH252883 0.714 3.289 2.132 + 1552TIP3 H152884 0.743 3.271 2.042 + 1552TIP3 H252885 0.678 3.202 2.158 + 1552TIP3 OH252886 0.826 3.289 1.733 + 1552TIP3 H152887 0.743 3.336 1.715 + 1552TIP3 H252888 0.793 3.198 1.745 + 1552TIP3 OH252889 -0.238 3.432 1.436 + 1552TIP3 H152890 -0.178 3.376 1.384 + 1552TIP3 H252891 -0.178 3.465 1.505 + 1552TIP3 OH252892 0.271 3.451 1.697 + 1552TIP3 H152893 0.306 3.393 1.765 + 1552TIP3 H252894 0.292 3.538 1.735 + 1552TIP3 OH252895 -0.311 3.324 2.957 + 1552TIP3 H152896 -0.350 3.243 2.992 + 1552TIP3 H252897 -0.218 3.312 2.983 + 1553TIP3 OH252898 -0.072 3.263 3.129 + 1553TIP3 H152899 0.010 3.229 3.089 + 1553TIP3 H252900 -0.106 3.183 3.173 + 1553TIP3 OH252901 0.740 3.175 3.147 + 1553TIP3 H152902 0.743 3.132 3.235 + 1553TIP3 H252903 0.834 3.171 3.121 + 1553TIP3 OH252904 2.498 4.205 2.012 + 1553TIP3 H152905 2.467 4.296 2.007 + 1553TIP3 H252906 2.425 4.160 1.966 + 1553TIP3 OH252907 2.377 4.136 2.339 + 1553TIP3 H152908 2.381 4.082 2.419 + 1553TIP3 H252909 2.350 4.072 2.272 + 1553TIP3 OH252910 1.624 4.086 2.503 + 1553TIP3 H152911 1.617 4.008 2.561 + 1553TIP3 H252912 1.700 4.130 2.544 + 1553TIP3 OH252913 1.393 3.881 1.891 + 1553TIP3 H152914 1.355 3.969 1.901 + 1553TIP3 H252915 1.321 3.833 1.848 + 1553TIP3 OH252916 1.472 4.127 2.066 + 1553TIP3 H152917 1.481 4.056 2.132 + 1553TIP3 H252918 1.565 4.136 2.041 + 1553TIP3 OH252919 3.102 3.520 2.460 + 1553TIP3 H152920 3.124 3.585 2.528 + 1553TIP3 H252921 3.157 3.550 2.386 + 1553TIP3 OH252922 2.563 3.804 2.447 + 1553TIP3 H152923 2.574 3.707 2.449 + 1553TIP3 H252924 2.551 3.819 2.351 + 1553TIP3 OH252925 1.859 3.606 2.153 + 1553TIP3 H152926 1.872 3.691 2.106 + 1553TIP3 H252927 1.823 3.553 2.079 + 1554TIP3 OH252928 2.643 3.623 1.984 + 1554TIP3 H152929 2.702 3.580 2.050 + 1554TIP3 H252930 2.708 3.668 1.928 + 1554TIP3 OH252931 1.519 3.872 2.206 + 1554TIP3 H152932 1.589 3.830 2.259 + 1554TIP3 H252933 1.533 3.830 2.119 + 1554TIP3 OH252934 2.066 4.019 2.154 + 1554TIP3 H152935 2.134 3.959 2.192 + 1554TIP3 H252936 2.012 3.956 2.102 + 1554TIP3 OH252937 3.180 3.661 2.704 + 1554TIP3 H152938 3.118 3.731 2.677 + 1554TIP3 H252939 3.157 3.653 2.798 + 1554TIP3 OH252940 1.738 3.486 2.569 + 1554TIP3 H152941 1.697 3.534 2.496 + 1554TIP3 H252942 1.672 3.499 2.639 + 1554TIP3 OH252943 1.993 4.282 2.543 + 1554TIP3 H152944 1.917 4.341 2.553 + 1554TIP3 H252945 2.066 4.344 2.531 + 1554TIP3 OH252946 2.827 3.546 2.187 + 1554TIP3 H152947 2.786 3.486 2.250 + 1554TIP3 H252948 2.875 3.607 2.245 + 1554TIP3 OH252949 1.698 3.689 2.362 + 1554TIP3 H152950 1.763 3.746 2.408 + 1554TIP3 H252951 1.755 3.652 2.291 + 1554TIP3 OH252952 2.840 3.466 2.572 + 1554TIP3 H152953 2.762 3.501 2.524 + 1554TIP3 H252954 2.911 3.479 2.506 + 1554TIP3 OH252955 2.152 3.233 2.278 + 1554TIP3 H152956 2.129 3.138 2.272 + 1554TIP3 H252957 2.069 3.270 2.315 + 1555TIP3 OH252958 2.349 4.140 1.752 + 1555TIP3 H152959 2.286 4.189 1.696 + 1555TIP3 H252960 2.425 4.133 1.691 + 1555TIP3 OH252961 2.390 3.941 1.470 + 1555TIP3 H152962 2.463 3.979 1.522 + 1555TIP3 H252963 2.439 3.892 1.402 + 1555TIP3 OH252964 3.103 4.055 2.574 + 1555TIP3 H152965 3.037 4.127 2.588 + 1555TIP3 H252966 3.154 4.095 2.501 + 1555TIP3 OH252967 2.721 4.141 1.853 + 1555TIP3 H152968 2.655 4.163 1.921 + 1555TIP3 H252969 2.786 4.089 1.903 + 1555TIP3 OH252970 2.695 3.981 2.745 + 1555TIP3 H152971 2.696 4.059 2.802 + 1555TIP3 H252972 2.637 4.014 2.674 + 1555TIP3 OH252973 1.876 4.212 2.043 + 1555TIP3 H152974 1.853 4.181 1.954 + 1555TIP3 H252975 1.950 4.153 2.065 + 1555TIP3 OH252976 1.931 4.069 2.393 + 1555TIP3 H152977 1.986 4.073 2.312 + 1555TIP3 H252978 1.963 4.144 2.446 + 1555TIP3 OH252979 2.602 4.073 1.616 + 1555TIP3 H152980 2.659 4.102 1.691 + 1555TIP3 H252981 2.648 4.119 1.541 + 1555TIP3 OH252982 1.713 4.148 2.772 + 1555TIP3 H152983 1.722 4.211 2.848 + 1555TIP3 H252984 1.617 4.133 2.773 + 1555TIP3 OH252985 2.952 3.246 1.559 + 1555TIP3 H152986 2.864 3.255 1.599 + 1555TIP3 H252987 2.987 3.337 1.565 + 1556TIP3 OH252988 1.763 4.088 1.796 + 1556TIP3 H152989 1.746 4.166 1.739 + 1556TIP3 H252990 1.698 4.025 1.763 + 1556TIP3 OH252991 1.326 4.290 2.659 + 1556TIP3 H152992 1.365 4.326 2.578 + 1556TIP3 H252993 1.405 4.273 2.712 + 1556TIP3 OH252994 2.894 3.836 2.978 + 1556TIP3 H152995 2.841 3.875 2.907 + 1556TIP3 H252996 2.899 3.743 2.948 + 1556TIP3 OH252997 1.910 3.348 2.369 + 1556TIP3 H152998 1.828 3.340 2.317 + 1556TIP3 H252999 1.885 3.421 2.428 + 1556TIP3 OH253000 2.345 3.310 2.737 + 1556TIP3 H153001 2.396 3.250 2.794 + 1556TIP3 H253002 2.254 3.275 2.744 + 1556TIP3 OH253003 2.666 3.686 2.789 + 1556TIP3 H153004 2.599 3.673 2.859 + 1556TIP3 H253005 2.655 3.780 2.766 + 1556TIP3 OH253006 2.742 4.175 1.410 + 1556TIP3 H153007 2.735 4.160 1.314 + 1556TIP3 H253008 2.831 4.215 1.417 + 1556TIP3 OH253009 2.328 3.556 1.459 + 1556TIP3 H153010 2.277 3.544 1.541 + 1556TIP3 H253011 2.286 3.490 1.402 + 1556TIP3 OH253012 1.898 3.824 2.513 + 1556TIP3 H153013 1.832 3.837 2.584 + 1556TIP3 H253014 1.906 3.914 2.475 + 1556TIP3 OH253015 1.890 3.835 1.996 + 1556TIP3 H153016 1.794 3.828 1.980 + 1556TIP3 H253017 1.924 3.815 1.907 + 1557TIP3 OH253018 2.451 3.900 1.878 + 1557TIP3 H153019 2.404 3.975 1.837 + 1557TIP3 H253020 2.516 3.879 1.809 + 1557TIP3 OH253021 2.370 3.921 3.018 + 1557TIP3 H153022 2.319 3.845 3.051 + 1557TIP3 H253023 2.458 3.904 3.056 + 1557TIP3 OH253024 2.536 3.831 2.151 + 1557TIP3 H153025 2.507 3.885 2.075 + 1557TIP3 H253026 2.559 3.749 2.103 + 1557TIP3 OH253027 1.637 3.840 2.688 + 1557TIP3 H153028 1.651 3.879 2.775 + 1557TIP3 H253029 1.599 3.754 2.711 + 1557TIP3 OH253030 1.971 3.603 1.349 + 1557TIP3 H153031 1.934 3.567 1.433 + 1557TIP3 H253032 1.892 3.616 1.296 + 1557TIP3 OH253033 1.312 3.589 2.057 + 1557TIP3 H153034 1.375 3.589 2.132 + 1557TIP3 H253035 1.365 3.552 1.985 + 1557TIP3 OH253036 1.473 3.634 1.628 + 1557TIP3 H153037 1.528 3.681 1.562 + 1557TIP3 H253038 1.404 3.699 1.645 + 1557TIP3 OH253039 2.434 3.997 2.598 + 1557TIP3 H153040 2.486 3.931 2.547 + 1557TIP3 H253041 2.403 3.943 2.672 + 1557TIP3 OH253042 2.167 3.595 2.101 + 1557TIP3 H153043 2.072 3.591 2.121 + 1557TIP3 H253044 2.206 3.573 2.188 + 1557TIP3 OH253045 1.621 3.716 1.969 + 1557TIP3 H153046 1.541 3.744 1.921 + 1557TIP3 H253047 1.651 3.638 1.919 + 1558TIP3 OH253048 1.987 3.751 1.735 + 1558TIP3 H153049 2.083 3.759 1.739 + 1558TIP3 H253050 1.961 3.810 1.662 + 1558TIP3 OH253051 2.606 3.507 2.403 + 1558TIP3 H153052 2.540 3.508 2.476 + 1558TIP3 H253053 2.550 3.472 2.331 + 1558TIP3 OH253054 1.830 3.876 1.513 + 1558TIP3 H153055 1.774 3.844 1.441 + 1558TIP3 H253056 1.912 3.897 1.465 + 1558TIP3 OH253057 1.726 4.317 2.979 + 1558TIP3 H153058 1.780 4.366 3.043 + 1558TIP3 H253059 1.644 4.304 3.031 + 1558TIP3 OH253060 2.268 3.851 2.284 + 1558TIP3 H153061 2.340 3.806 2.237 + 1558TIP3 H253062 2.252 3.789 2.358 + 1558TIP3 OH253063 1.798 3.490 1.900 + 1558TIP3 H153064 1.742 3.411 1.914 + 1558TIP3 H253065 1.878 3.452 1.861 + 1558TIP3 OH253066 2.166 3.695 2.505 + 1558TIP3 H153067 2.086 3.751 2.507 + 1558TIP3 H253068 2.213 3.722 2.586 + 1558TIP3 OH253069 2.151 4.360 1.704 + 1558TIP3 H153070 2.095 4.297 1.655 + 1558TIP3 H253071 2.164 4.319 1.790 + 1558TIP3 OH253072 2.926 4.267 2.564 + 1558TIP3 H153073 2.951 4.312 2.482 + 1558TIP3 H253074 2.831 4.254 2.545 + 1558TIP3 OH253075 2.595 3.616 1.473 + 1558TIP3 H153076 2.497 3.613 1.469 + 1558TIP3 H253077 2.613 3.689 1.536 + 1559TIP3 OH253078 2.663 3.798 1.682 + 1559TIP3 H153079 2.752 3.782 1.719 + 1559TIP3 H253080 2.673 3.885 1.639 + 1559TIP3 OH253081 1.681 4.216 2.241 + 1559TIP3 H153082 1.765 4.236 2.194 + 1559TIP3 H253083 1.711 4.175 2.323 + 1559TIP3 OH253084 1.438 4.075 2.809 + 1559TIP3 H153085 1.433 4.036 2.898 + 1559TIP3 H253086 1.359 4.040 2.765 + 1559TIP3 OH253087 2.115 4.052 3.005 + 1559TIP3 H153088 2.078 4.027 2.919 + 1559TIP3 H253089 2.209 4.028 2.993 + 1559TIP3 OH253090 3.121 3.797 1.653 + 1559TIP3 H153091 3.066 3.778 1.574 + 1559TIP3 H253092 3.134 3.893 1.638 + 1559TIP3 OH253093 2.668 4.180 2.432 + 1559TIP3 H153094 2.578 4.183 2.398 + 1559TIP3 H253095 2.716 4.135 2.361 + 1559TIP3 OH253096 1.523 4.095 1.457 + 1559TIP3 H153097 1.583 4.154 1.505 + 1559TIP3 H253098 1.438 4.113 1.503 + 1559TIP3 OH253099 1.548 3.566 2.769 + 1559TIP3 H153100 1.458 3.590 2.740 + 1559TIP3 H253101 1.534 3.478 2.807 + 1559TIP3 OH253102 1.699 -4.388 1.640 + 1559TIP3 H153103 1.610 -4.352 1.658 + 1559TIP3 H253104 1.746 -4.306 1.620 + 1559TIP3 OH253105 2.446 3.550 2.622 + 1559TIP3 H153106 2.509 3.572 2.693 + 1559TIP3 H253107 2.395 3.476 2.661 + 1560TIP3 OH253108 2.511 3.492 1.748 + 1560TIP3 H153109 2.527 3.545 1.668 + 1560TIP3 H253110 2.556 3.544 1.816 + 1560TIP3 OH253111 2.254 3.691 1.843 + 1560TIP3 H153112 2.329 3.752 1.858 + 1560TIP3 H253113 2.222 3.676 1.934 + 1560TIP3 OH253114 2.292 3.793 2.759 + 1560TIP3 H153115 2.297 3.841 2.843 + 1560TIP3 H253116 2.340 3.711 2.779 + 1560TIP3 OH253117 2.312 3.394 1.938 + 1560TIP3 H153118 2.290 3.465 2.001 + 1560TIP3 H253119 2.383 3.435 1.885 + 1560TIP3 OH253120 1.883 3.494 1.588 + 1560TIP3 H153121 1.885 3.570 1.649 + 1560TIP3 H253122 1.964 3.446 1.615 + 1560TIP3 OH253123 2.917 3.582 2.843 + 1560TIP3 H153124 2.821 3.597 2.829 + 1560TIP3 H253125 2.941 3.562 2.751 + 1560TIP3 OH253126 2.770 3.966 2.242 + 1560TIP3 H153127 2.685 3.924 2.222 + 1560TIP3 H253128 2.816 3.897 2.295 + 1560TIP3 OH253129 1.536 3.800 1.410 + 1560TIP3 H153130 1.551 3.894 1.427 + 1560TIP3 H253131 1.452 3.800 1.363 + 1560TIP3 OH253132 1.630 3.305 2.286 + 1560TIP3 H153133 1.613 3.302 2.190 + 1560TIP3 H253134 1.597 3.217 2.316 + 1560TIP3 OH253135 1.481 4.307 3.089 + 1560TIP3 H153136 1.460 4.212 3.097 + 1560TIP3 H253137 1.397 4.350 3.072 + 1561TIP3 OH253138 2.072 4.330 3.048 + 1561TIP3 H153139 2.075 4.349 2.952 + 1561TIP3 H253140 2.104 4.238 3.050 + 1561TIP3 OH253141 2.671 -4.374 2.822 + 1561TIP3 H153142 2.750 -4.332 2.784 + 1561TIP3 H253143 2.601 -4.314 2.793 + 1561TIP3 OH253144 1.538 4.024 3.070 + 1561TIP3 H153145 1.616 3.966 3.061 + 1561TIP3 H253146 1.540 4.044 3.165 + 1561TIP3 OH253147 1.995 4.161 1.575 + 1561TIP3 H153148 1.928 4.118 1.630 + 1561TIP3 H253149 2.010 4.094 1.505 + 1561TIP3 OH253150 1.913 3.935 2.808 + 1561TIP3 H153151 1.852 4.011 2.820 + 1561TIP3 H253152 1.971 3.968 2.737 + 1561TIP3 OH253153 2.078 3.957 1.398 + 1561TIP3 H153154 2.075 3.971 1.302 + 1561TIP3 H253155 2.174 3.957 1.415 + 1561TIP3 OH253156 2.441 4.218 3.160 + 1561TIP3 H153157 2.527 4.193 3.122 + 1561TIP3 H253158 2.403 4.133 3.182 + 1561TIP3 OH253159 3.011 4.189 1.320 + 1561TIP3 H153160 2.997 4.184 1.224 + 1561TIP3 H253161 3.010 4.285 1.339 + 1561TIP3 OH253162 1.969 3.664 2.915 + 1561TIP3 H153163 1.972 3.598 2.844 + 1561TIP3 H253164 1.946 3.745 2.865 + 1561TIP3 OH253165 2.000 3.511 2.661 + 1561TIP3 H153166 2.050 3.562 2.595 + 1561TIP3 H253167 1.908 3.513 2.624 + 1562TIP3 OH253168 2.151 4.069 2.690 + 1562TIP3 H153169 2.234 4.056 2.642 + 1562TIP3 H253170 2.118 4.152 2.653 + 1562TIP3 OH253171 2.614 3.851 3.174 + 1562TIP3 H153172 2.632 3.759 3.198 + 1562TIP3 H253173 2.703 3.888 3.173 + 1562TIP3 OH253174 2.710 4.138 3.015 + 1562TIP3 H153175 2.685 4.209 2.951 + 1562TIP3 H253176 2.800 4.117 2.984 + 1562TIP3 OH253177 1.783 3.850 3.095 + 1562TIP3 H153178 1.732 3.768 3.094 + 1562TIP3 H253179 1.864 3.823 3.049 + 1562TIP3 OH253180 2.073 3.244 2.695 + 1562TIP3 H153181 2.052 3.339 2.678 + 1562TIP3 H253182 2.005 3.199 2.642 + 1562TIP3 OH253183 2.200 3.700 3.073 + 1562TIP3 H153184 2.161 3.681 3.161 + 1562TIP3 H253185 2.121 3.682 3.018 + 1562TIP3 OH253186 2.451 3.608 2.962 + 1562TIP3 H153187 2.360 3.617 2.996 + 1562TIP3 H253188 2.488 3.543 3.022 + 1562TIP3 OH253189 2.654 3.426 3.153 + 1562TIP3 H153190 2.577 3.369 3.164 + 1562TIP3 H253191 2.631 3.500 3.215 + 1562TIP3 OH253192 1.655 3.594 3.079 + 1562TIP3 H153193 1.645 3.524 3.012 + 1562TIP3 H253194 1.632 3.546 3.160 + 1562TIP3 OH253195 2.058 3.193 2.977 + 1562TIP3 H153196 2.116 3.115 2.981 + 1562TIP3 H253197 2.052 3.206 2.881 + 1563TIP3 OH253198 2.154 3.381 3.160 + 1563TIP3 H153199 2.123 3.319 3.091 + 1563TIP3 H253200 2.082 3.445 3.164 + 1563TIP3 OH253201 3.090 4.364 1.762 + 1563TIP3 H153202 3.185 4.360 1.744 + 1563TIP3 H253203 3.072 4.279 1.806 + 1563TIP3 OH253204 3.126 4.132 1.924 + 1563TIP3 H153205 3.049 4.088 1.964 + 1563TIP3 H253206 3.185 4.148 2.000 + 1563TIP3 OH253207 3.144 4.094 1.576 + 1563TIP3 H153208 3.081 4.115 1.505 + 1563TIP3 H253209 3.130 4.167 1.637 + 1563TIP3 OH253210 2.973 3.842 1.410 + 1563TIP3 H153211 2.991 3.906 1.340 + 1563TIP3 H253212 2.947 3.762 1.361 + 1563TIP3 OH253213 2.901 3.965 2.000 + 1563TIP3 H153214 2.897 3.869 1.985 + 1563TIP3 H253215 2.864 3.973 2.090 + 1563TIP3 OH253216 1.389 4.193 2.385 + 1563TIP3 H153217 1.408 4.197 2.290 + 1563TIP3 H253218 1.475 4.166 2.421 + 1563TIP3 OH253219 2.986 4.161 2.922 + 1563TIP3 H153220 3.059 4.101 2.949 + 1563TIP3 H253221 3.030 4.244 2.897 + 1563TIP3 OH253222 3.129 3.963 3.037 + 1563TIP3 H153223 3.048 3.911 3.018 + 1563TIP3 H253224 3.197 3.893 3.036 + 1563TIP3 OH253225 2.916 3.578 1.329 + 1563TIP3 H153226 2.973 3.528 1.390 + 1563TIP3 H253227 2.836 3.525 1.322 + 1564TIP3 OH253228 2.899 3.706 1.827 + 1564TIP3 H153229 2.923 3.611 1.830 + 1564TIP3 H253230 2.979 3.742 1.784 + 1564TIP3 OH253231 2.921 3.764 2.368 + 1564TIP3 H153232 3.017 3.779 2.366 + 1564TIP3 H253233 2.904 3.770 2.464 + 1564TIP3 OH253234 2.940 3.837 2.652 + 1564TIP3 H153235 2.852 3.873 2.675 + 1564TIP3 H253236 2.988 3.918 2.627 + 1564TIP3 OH253237 1.385 3.717 3.020 + 1564TIP3 H153238 1.478 3.690 3.019 + 1564TIP3 H253239 1.340 3.630 3.024 + 1564TIP3 OH253240 3.164 3.236 3.166 + 1564TIP3 H153241 3.220 3.176 3.112 + 1564TIP3 H253242 3.172 3.319 3.115 + 1564TIP3 OH253243 2.945 3.427 1.822 + 1564TIP3 H153244 2.954 3.394 1.913 + 1564TIP3 H253245 2.865 3.378 1.792 + 1564TIP3 OH253246 1.461 3.546 2.300 + 1564TIP3 H153247 1.509 3.461 2.305 + 1564TIP3 H253248 1.530 3.607 2.332 + 1564TIP3 OH253249 1.317 3.813 2.401 + 1564TIP3 H153250 1.378 3.812 2.326 + 1564TIP3 H253251 1.348 3.892 2.448 + 1564TIP3 OH253252 3.137 3.463 3.004 + 1564TIP3 H153253 3.048 3.501 3.013 + 1564TIP3 H253254 3.119 3.400 2.931 + 1564TIP3 OH253255 3.142 3.474 1.491 + 1564TIP3 H153256 3.171 3.395 1.443 + 1564TIP3 H253257 3.222 3.528 1.494 + 1565TIP3 OH253258 1.367 3.448 1.807 + 1565TIP3 H153259 1.272 3.454 1.786 + 1565TIP3 H253260 1.407 3.509 1.742 + 1565TIP3 OH253261 1.371 3.342 2.625 + 1565TIP3 H153262 1.301 3.309 2.681 + 1565TIP3 H253263 1.321 3.387 2.555 + 1565TIP3 OH253264 3.011 3.268 2.829 + 1565TIP3 H153265 2.930 3.294 2.783 + 1565TIP3 H253266 3.032 3.182 2.786 + 1565TIP3 OH253267 2.361 3.429 2.250 + 1565TIP3 H153268 2.291 3.362 2.264 + 1565TIP3 H253269 2.418 3.384 2.187 + 1565TIP3 OH253270 2.855 3.235 2.296 + 1565TIP3 H153271 2.930 3.277 2.251 + 1565TIP3 H253272 2.780 3.259 2.239 + 1565TIP3 OH253273 3.064 3.341 2.083 + 1565TIP3 H153274 3.134 3.300 2.029 + 1565TIP3 H253275 3.095 3.434 2.090 + 1565TIP3 OH253276 1.595 3.300 2.005 + 1565TIP3 H153277 1.509 3.288 1.960 + 1565TIP3 H253278 1.637 3.213 1.989 + 1565TIP3 OH253279 1.477 3.250 1.592 + 1565TIP3 H153280 1.528 3.316 1.540 + 1565TIP3 H253281 1.436 3.305 1.661 + 1565TIP3 OH253282 2.042 3.286 1.991 + 1565TIP3 H153283 2.135 3.312 1.978 + 1565TIP3 H253284 2.039 3.274 2.087 + 1565TIP3 OH253285 2.604 3.287 2.134 + 1565TIP3 H153286 2.627 3.271 2.042 + 1565TIP3 H253287 2.562 3.202 2.158 + 1566TIP3 OH253288 2.713 3.288 1.731 + 1566TIP3 H153289 2.631 3.339 1.717 + 1566TIP3 H253290 2.678 3.198 1.745 + 1566TIP3 OH253291 1.647 3.432 1.435 + 1566TIP3 H153292 1.708 3.376 1.384 + 1566TIP3 H253293 1.707 3.465 1.505 + 1566TIP3 OH253294 2.157 3.451 1.696 + 1566TIP3 H153295 2.191 3.393 1.766 + 1566TIP3 H253296 2.177 3.538 1.735 + 1566TIP3 OH253297 1.574 3.325 2.958 + 1566TIP3 H153298 1.535 3.243 2.992 + 1566TIP3 H253299 1.667 3.312 2.981 + 1566TIP3 OH253300 1.816 3.264 3.132 + 1566TIP3 H153301 1.896 3.228 3.090 + 1566TIP3 H253302 1.778 3.184 3.172 + 1566TIP3 OH253303 2.708 3.147 3.145 + 1566TIP3 H153304 2.644 3.142 3.219 + 1566TIP3 H253305 2.703 3.239 3.115 + 1566TIP3 OH253306 4.195 4.093 2.349 + 1566TIP3 H153307 4.266 4.120 2.410 + 1566TIP3 H253308 4.238 4.094 2.264 + 1566TIP3 OH253309 3.509 4.083 2.502 + 1566TIP3 H153310 3.507 4.009 2.566 + 1566TIP3 H253311 3.584 4.134 2.536 + 1566TIP3 OH253312 3.279 3.884 1.893 + 1566TIP3 H153313 3.237 3.971 1.901 + 1566TIP3 H253314 3.209 3.832 1.852 + 1566TIP3 OH253315 3.368 4.126 2.081 + 1566TIP3 H153316 3.375 4.049 2.141 + 1566TIP3 H253317 3.452 4.119 2.035 + 1567TIP3 OH253318 3.739 3.605 2.160 + 1567TIP3 H153319 3.756 3.690 2.114 + 1567TIP3 H253320 3.708 3.552 2.084 + 1567TIP3 OH253321 3.422 3.869 2.210 + 1567TIP3 H153322 3.480 3.815 2.264 + 1567TIP3 H253323 3.431 3.826 2.123 + 1567TIP3 OH253324 3.954 4.014 2.152 + 1567TIP3 H153325 4.023 3.957 2.193 + 1567TIP3 H253326 3.901 3.947 2.104 + 1567TIP3 OH253327 3.893 4.266 2.548 + 1567TIP3 H153328 3.816 4.323 2.557 + 1567TIP3 H253329 3.964 4.333 2.547 + 1567TIP3 OH253330 3.588 3.660 2.385 + 1567TIP3 H153331 3.633 3.743 2.410 + 1567TIP3 H253332 3.634 3.636 2.301 + 1567TIP3 OH253333 4.005 3.247 2.289 + 1567TIP3 H153334 4.005 3.149 2.287 + 1567TIP3 H253335 3.927 3.263 2.343 + 1567TIP3 OH253336 4.268 4.123 1.745 + 1567TIP3 H153337 4.198 4.189 1.727 + 1567TIP3 H253338 4.327 4.142 1.672 + 1567TIP3 OH253339 4.286 3.954 1.477 + 1567TIP3 H153340 4.374 3.961 1.516 + 1567TIP3 H253341 4.297 3.895 1.402 + 1567TIP3 OH253342 3.759 4.204 2.047 + 1567TIP3 H153343 3.741 4.178 1.956 + 1567TIP3 H253344 3.840 4.154 2.067 + 1567TIP3 OH253345 3.809 4.073 2.382 + 1567TIP3 H153346 3.874 4.074 2.309 + 1567TIP3 H253347 3.846 4.142 2.441 + 1568TIP3 OH253348 3.596 4.147 2.773 + 1568TIP3 H153349 3.610 4.211 2.846 + 1568TIP3 H253350 3.499 4.142 2.772 + 1568TIP3 OH253351 3.647 4.088 1.796 + 1568TIP3 H153352 3.631 4.167 1.740 + 1568TIP3 H253353 3.583 4.025 1.761 + 1568TIP3 OH253354 3.244 4.311 2.675 + 1568TIP3 H153355 3.244 4.294 2.579 + 1568TIP3 H253356 3.276 4.226 2.711 + 1568TIP3 OH253357 4.231 3.284 2.793 + 1568TIP3 H153358 4.249 3.214 2.857 + 1568TIP3 H253359 4.139 3.263 2.767 + 1568TIP3 OH253360 4.234 3.561 1.467 + 1568TIP3 H153361 4.170 3.548 1.537 + 1568TIP3 H253362 4.202 3.498 1.401 + 1568TIP3 OH253363 3.764 3.824 2.511 + 1568TIP3 H153364 3.720 3.858 2.592 + 1568TIP3 H253365 3.791 3.909 2.469 + 1568TIP3 OH253366 3.775 3.831 1.998 + 1568TIP3 H153367 3.679 3.826 1.981 + 1568TIP3 H253368 3.810 3.817 1.908 + 1568TIP3 OH253369 4.270 3.891 1.949 + 1568TIP3 H153370 4.262 3.983 1.915 + 1568TIP3 H253371 4.364 3.883 1.969 + 1568TIP3 OH253372 3.521 3.838 2.686 + 1568TIP3 H153373 3.538 3.880 2.771 + 1568TIP3 H253374 3.478 3.755 2.713 + 1568TIP3 OH253375 3.863 3.605 1.351 + 1568TIP3 H153376 3.820 3.567 1.430 + 1568TIP3 H253377 3.788 3.621 1.293 + 1569TIP3 OH253378 3.201 3.593 2.059 + 1569TIP3 H153379 3.264 3.579 2.133 + 1569TIP3 H253380 3.247 3.553 1.983 + 1569TIP3 OH253381 3.361 3.635 1.630 + 1569TIP3 H153382 3.413 3.682 1.561 + 1569TIP3 H253383 3.289 3.698 1.645 + 1569TIP3 OH253384 4.313 3.984 2.605 + 1569TIP3 H153385 4.374 3.915 2.572 + 1569TIP3 H253386 4.270 3.933 2.676 + 1569TIP3 OH253387 4.049 3.574 2.102 + 1569TIP3 H153388 3.955 3.586 2.123 + 1569TIP3 H253389 4.090 3.601 2.186 + 1569TIP3 OH253390 3.507 3.717 1.970 + 1569TIP3 H153391 3.426 3.744 1.923 + 1569TIP3 H253392 3.535 3.638 1.920 + 1569TIP3 OH253393 3.874 3.747 1.732 + 1569TIP3 H153394 3.969 3.765 1.738 + 1569TIP3 H253395 3.843 3.808 1.662 + 1569TIP3 OH253396 3.722 3.876 1.513 + 1569TIP3 H153397 3.663 3.847 1.441 + 1569TIP3 H253398 3.803 3.893 1.464 + 1569TIP3 OH253399 3.608 4.315 2.980 + 1569TIP3 H153400 3.669 4.361 3.040 + 1569TIP3 H253401 3.530 4.305 3.038 + 1569TIP3 OH253402 4.127 3.798 2.267 + 1569TIP3 H153403 4.205 3.790 2.210 + 1569TIP3 H253404 4.172 3.802 2.354 + 1569TIP3 OH253405 3.684 3.487 1.905 + 1569TIP3 H153406 3.627 3.409 1.916 + 1569TIP3 H253407 3.760 3.451 1.857 + 1570TIP3 OH253408 4.015 3.653 2.552 + 1570TIP3 H153409 3.977 3.729 2.506 + 1570TIP3 H253410 4.094 3.694 2.591 + 1570TIP3 OH253411 4.072 4.327 1.709 + 1570TIP3 H153412 3.997 4.289 1.658 + 1570TIP3 H253413 4.039 4.325 1.800 + 1570TIP3 OH253414 3.595 4.239 2.258 + 1570TIP3 H153415 3.663 4.237 2.187 + 1570TIP3 H253416 3.622 4.163 2.311 + 1570TIP3 OH253417 3.311 4.080 2.801 + 1570TIP3 H153418 3.319 4.042 2.891 + 1570TIP3 H253419 3.236 4.031 2.763 + 1570TIP3 OH253420 4.000 4.015 3.011 + 1570TIP3 H153421 3.974 4.021 2.918 + 1570TIP3 H253422 4.090 4.054 3.005 + 1570TIP3 OH253423 3.409 4.093 1.458 + 1570TIP3 H153424 3.467 4.155 1.505 + 1570TIP3 H253425 3.323 4.111 1.502 + 1570TIP3 OH253426 3.461 3.552 2.739 + 1570TIP3 H153427 3.370 3.580 2.719 + 1570TIP3 H253428 3.442 3.471 2.791 + 1570TIP3 OH253429 3.586 -4.386 1.644 + 1570TIP3 H153430 3.494 -4.353 1.655 + 1570TIP3 H253431 3.630 -4.305 1.615 + 1570TIP3 OH253432 4.323 3.592 2.671 + 1570TIP3 H153433 4.395 3.534 2.696 + 1570TIP3 H253434 4.267 3.534 2.619 + 1570TIP3 OH253435 4.142 3.680 1.842 + 1570TIP3 H153436 4.200 3.754 1.871 + 1570TIP3 H253437 4.103 3.659 1.929 + 1571TIP3 OH253438 4.176 3.796 2.779 + 1571TIP3 H153439 4.194 3.830 2.868 + 1571TIP3 H253440 4.244 3.726 2.771 + 1571TIP3 OH253441 4.195 3.388 1.964 + 1571TIP3 H153442 4.166 3.469 2.011 + 1571TIP3 H253443 4.272 3.421 1.913 + 1571TIP3 OH253444 3.767 3.494 1.589 + 1571TIP3 H153445 3.772 3.573 1.646 + 1571TIP3 H253446 3.849 3.447 1.612 + 1571TIP3 OH253447 3.421 3.800 1.412 + 1571TIP3 H153448 3.435 3.895 1.427 + 1571TIP3 H253449 3.339 3.799 1.361 + 1571TIP3 OH253450 3.560 3.309 2.309 + 1571TIP3 H153451 3.549 3.318 2.213 + 1571TIP3 H253452 3.512 3.226 2.327 + 1571TIP3 OH253453 3.364 4.307 3.097 + 1571TIP3 H153454 3.345 4.211 3.094 + 1571TIP3 H253455 3.284 4.348 3.061 + 1571TIP3 OH253456 3.948 4.324 3.049 + 1571TIP3 H153457 3.957 4.344 2.954 + 1571TIP3 H253458 4.015 4.253 3.058 + 1571TIP3 OH253459 3.424 4.025 3.064 + 1571TIP3 H153460 3.496 3.961 3.058 + 1571TIP3 H253461 3.424 4.046 3.159 + 1571TIP3 OH253462 3.877 4.163 1.580 + 1571TIP3 H153463 3.811 4.114 1.630 + 1571TIP3 H253464 3.899 4.100 1.509 + 1571TIP3 OH253465 3.793 3.928 2.794 + 1571TIP3 H153466 3.743 4.008 2.819 + 1571TIP3 H253467 3.863 3.967 2.738 + 1572TIP3 OH253468 3.977 3.955 1.401 + 1572TIP3 H153469 3.971 3.967 1.304 + 1572TIP3 H253470 4.072 3.970 1.416 + 1572TIP3 OH253471 3.833 3.640 2.862 + 1572TIP3 H153472 3.912 3.608 2.818 + 1572TIP3 H253473 3.839 3.737 2.849 + 1572TIP3 OH253474 4.037 4.051 2.670 + 1572TIP3 H153475 4.126 4.045 2.629 + 1572TIP3 H253476 4.016 4.144 2.652 + 1572TIP3 OH253477 3.682 3.834 3.104 + 1572TIP3 H153478 3.625 3.757 3.085 + 1572TIP3 H253479 3.754 3.823 3.040 + 1572TIP3 OH253480 3.950 3.283 2.711 + 1572TIP3 H153481 3.950 3.370 2.673 + 1572TIP3 H253482 3.894 3.232 2.648 + 1572TIP3 OH253483 4.112 3.704 3.077 + 1572TIP3 H153484 4.080 3.674 3.163 + 1572TIP3 H253485 4.037 3.690 3.020 + 1572TIP3 OH253486 3.531 3.594 3.069 + 1572TIP3 H153487 3.524 3.516 3.010 + 1572TIP3 H253488 3.513 3.554 3.156 + 1572TIP3 OH253489 3.970 3.201 3.013 + 1572TIP3 H153490 4.040 3.133 3.001 + 1572TIP3 H253491 3.962 3.232 2.921 + 1572TIP3 OH253492 3.273 4.188 2.396 + 1572TIP3 H153493 3.281 4.203 2.301 + 1572TIP3 H253494 3.364 4.161 2.421 + 1572TIP3 OH253495 3.279 3.717 3.008 + 1572TIP3 H153496 3.371 3.688 3.023 + 1572TIP3 H253497 3.232 3.632 3.016 + 1573TIP3 OH253498 3.353 3.530 2.292 + 1573TIP3 H153499 3.402 3.447 2.302 + 1573TIP3 H253500 3.411 3.591 2.339 + 1573TIP3 OH253501 3.209 3.811 2.403 + 1573TIP3 H153502 3.262 3.816 2.321 + 1573TIP3 H253503 3.236 3.892 2.448 + 1573TIP3 OH253504 3.252 3.452 1.812 + 1573TIP3 H153505 3.158 3.452 1.788 + 1573TIP3 H253506 3.292 3.509 1.743 + 1573TIP3 OH253507 3.243 3.329 2.631 + 1573TIP3 H153508 3.169 3.303 2.688 + 1573TIP3 H253509 3.197 3.384 2.565 + 1573TIP3 OH253510 4.260 3.378 2.264 + 1573TIP3 H153511 4.167 3.353 2.258 + 1573TIP3 H253512 4.291 3.367 2.173 + 1573TIP3 OH253513 3.483 3.302 2.018 + 1573TIP3 H153514 3.397 3.295 1.973 + 1573TIP3 H253515 3.521 3.214 2.000 + 1573TIP3 OH253516 3.365 3.249 1.593 + 1573TIP3 H153517 3.413 3.315 1.540 + 1573TIP3 H253518 3.320 3.304 1.659 + 1573TIP3 OH253519 3.933 3.283 1.992 + 1573TIP3 H153520 4.026 3.313 1.982 + 1573TIP3 H253521 3.928 3.274 2.088 + 1573TIP3 OH253522 3.532 3.431 1.436 + 1573TIP3 H153523 3.593 3.377 1.382 + 1573TIP3 H253524 3.592 3.465 1.504 + 1573TIP3 OH253525 4.068 3.452 1.692 + 1573TIP3 H153526 4.065 3.390 1.767 + 1573TIP3 H253527 4.060 3.538 1.736 + 1574TIP3 OH253528 3.461 3.330 2.961 + 1574TIP3 H153529 3.417 3.248 2.988 + 1574TIP3 H253530 3.554 3.308 2.973 + 1574TIP3 OH253531 3.719 3.255 3.155 + 1574TIP3 H153532 3.780 3.226 3.085 + 1574TIP3 H253533 3.659 3.178 3.164 + 1574TIP3 OH253534 -3.200 -3.411 3.983 + 1574TIP3 H153535 -3.173 -3.324 4.015 + 1574TIP3 H253536 -3.242 -3.389 3.898 + 1574TIP3 OH253537 -3.279 -3.426 4.259 + 1574TIP3 H153538 -3.279 -3.506 4.315 + 1574TIP3 H253539 -3.274 -3.463 4.169 + 1574TIP3 OH253540 -2.925 -3.153 4.036 + 1574TIP3 H153541 -2.960 -3.220 4.098 + 1574TIP3 H253542 -2.878 -3.099 4.102 + 1574TIP3 OH253543 -3.952 -3.005 4.244 + 1574TIP3 H153544 -3.990 -3.092 4.224 + 1574TIP3 H253545 -3.858 -3.029 4.255 + 1574TIP3 OH253546 -4.187 -3.570 3.683 + 1574TIP3 H153547 -4.216 -3.513 3.757 + 1574TIP3 H253548 -4.215 -3.656 3.713 + 1574TIP3 OH253549 -4.198 -3.442 3.936 + 1574TIP3 H153550 -4.195 -3.479 4.025 + 1574TIP3 H253551 -4.118 -3.389 3.934 + 1574TIP3 OH253552 -3.213 -2.613 4.110 + 1574TIP3 H153553 -3.148 -2.678 4.079 + 1574TIP3 H253554 -3.233 -2.643 4.200 + 1574TIP3 OH253555 -3.477 -3.202 4.275 + 1574TIP3 H153556 -3.432 -3.273 4.226 + 1574TIP3 H253557 -3.398 -3.167 4.321 + 1575TIP3 OH253558 -3.118 -3.724 4.321 + 1575TIP3 H153559 -3.077 -3.809 4.344 + 1575TIP3 H253560 -3.112 -3.722 4.224 + 1575TIP3 OH253561 -3.811 -3.940 4.041 + 1575TIP3 H153562 -3.789 -3.856 3.998 + 1575TIP3 H253563 -3.839 -3.993 3.964 + 1575TIP3 OH253564 -3.013 -3.917 3.874 + 1575TIP3 H153565 -2.955 -3.964 3.939 + 1575TIP3 H253566 -2.946 -3.877 3.816 + 1575TIP3 OH253567 -4.117 -3.673 4.109 + 1575TIP3 H153568 -4.075 -3.737 4.167 + 1575TIP3 H253569 -4.110 -3.717 4.023 + 1575TIP3 OH253570 -3.603 -3.531 4.056 + 1575TIP3 H153571 -3.526 -3.584 4.082 + 1575TIP3 H253572 -3.647 -3.591 3.992 + 1575TIP3 OH253573 -3.172 -3.080 3.796 + 1575TIP3 H153574 -3.200 -3.109 3.709 + 1575TIP3 H253575 -3.219 -2.997 3.809 + 1575TIP3 OH253576 -2.829 -4.012 4.072 + 1575TIP3 H153577 -2.864 -4.066 4.144 + 1575TIP3 H253578 -2.777 -3.949 4.124 + 1575TIP3 OH253579 -3.878 -3.848 4.297 + 1575TIP3 H153580 -3.903 -3.756 4.281 + 1575TIP3 H253581 -3.887 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1576TIP3 H153607 -3.818 -3.378 3.846 + 1576TIP3 H253608 -3.723 -3.402 3.962 + 1576TIP3 OH253609 -3.674 -3.010 4.154 + 1576TIP3 H153610 -3.663 -3.059 4.073 + 1576TIP3 H253611 -3.598 -3.038 4.206 + 1576TIP3 OH253612 -3.766 -3.450 4.270 + 1576TIP3 H153613 -3.698 -3.467 4.202 + 1576TIP3 H253614 -3.712 -3.429 4.348 + 1576TIP3 OH253615 -3.051 -3.468 3.495 + 1576TIP3 H153616 -3.001 -3.443 3.576 + 1576TIP3 H253617 -3.000 -3.419 3.426 + 1577TIP3 OH253618 -3.304 -2.800 3.830 + 1577TIP3 H153619 -3.253 -2.795 3.913 + 1577TIP3 H253620 -3.369 -2.729 3.841 + 1577TIP3 OH253621 -2.730 -4.321 3.415 + 1577TIP3 H153622 -2.773 -4.324 3.502 + 1577TIP3 H253623 -2.651 -4.270 3.438 + 1577TIP3 OH253624 -3.893 -3.464 3.678 + 1577TIP3 H153625 -3.919 -3.388 3.624 + 1577TIP3 H253626 -3.968 -3.524 3.664 + 1577TIP3 OH253627 -2.565 -2.882 3.295 + 1577TIP3 H153628 -2.548 -2.788 3.319 + 1577TIP3 H253629 -2.479 -2.923 3.317 + 1577TIP3 OH253630 -4.286 -2.899 4.214 + 1577TIP3 H153631 -4.210 -2.950 4.245 + 1577TIP3 H253632 -4.308 -2.852 4.295 + 1577TIP3 OH253633 -3.373 -2.514 3.630 + 1577TIP3 H153634 -3.282 -2.526 3.599 + 1577TIP3 H253635 -3.356 -2.463 3.711 + 1577TIP3 OH253636 -3.974 -2.628 3.861 + 1577TIP3 H153637 -3.950 -2.668 3.948 + 1577TIP3 H253638 -4.055 -2.678 3.842 + 1577TIP3 OH253639 -3.060 -2.617 3.419 + 1577TIP3 H153640 -3.002 -2.668 3.359 + 1577TIP3 H253641 -3.029 -2.650 3.504 + 1577TIP3 OH253642 -3.127 -2.611 3.734 + 1577TIP3 H153643 -3.206 -2.667 3.736 + 1577TIP3 H253644 -3.061 -2.678 3.759 + 1577TIP3 OH253645 -3.773 -4.211 4.298 + 1577TIP3 H153646 -3.844 -4.212 4.232 + 1577TIP3 H253647 -3.749 -4.117 4.306 + 1578TIP3 OH253648 -2.895 -3.362 3.296 + 1578TIP3 H153649 -2.914 -3.379 3.201 + 1578TIP3 H253650 -2.801 -3.337 3.290 + 1578TIP3 OH253651 -3.329 -3.993 3.341 + 1578TIP3 H153652 -3.382 -4.005 3.422 + 1578TIP3 H253653 -3.378 -4.053 3.281 + 1578TIP3 OH253654 -3.767 -3.706 3.884 + 1578TIP3 H153655 -3.862 -3.712 3.866 + 1578TIP3 H253656 -3.731 -3.727 3.795 + 1578TIP3 OH253657 -3.204 -3.647 3.761 + 1578TIP3 H153658 -3.247 -3.567 3.726 + 1578TIP3 H253659 -3.138 -3.666 3.693 + 1578TIP3 OH253660 -3.126 -3.712 4.044 + 1578TIP3 H153661 -3.156 -3.652 3.974 + 1578TIP3 H253662 -3.104 -3.791 3.991 + 1578TIP3 OH253663 -3.691 -3.937 3.238 + 1578TIP3 H153664 -3.724 -3.979 3.319 + 1578TIP3 H253665 -3.769 -3.928 3.183 + 1578TIP3 OH253666 -4.323 -3.942 3.933 + 1578TIP3 H153667 -4.301 -3.961 4.026 + 1578TIP3 H253668 -4.285 -4.018 3.887 + 1578TIP3 OH253669 -4.214 -3.881 3.533 + 1578TIP3 H153670 -4.152 -3.864 3.459 + 1578TIP3 H253671 -4.298 -3.859 3.492 + 1578TIP3 OH253672 -3.497 -3.940 3.983 + 1578TIP3 H153673 -3.589 -3.960 4.005 + 1578TIP3 H253674 -3.450 -3.974 4.060 + 1578TIP3 OH253675 -4.037 -3.822 3.847 + 1578TIP3 H153676 -4.122 -3.821 3.803 + 1578TIP3 H253677 -3.999 -3.906 3.814 + 1579TIP3 OH253678 -3.672 -3.790 3.623 + 1579TIP3 H153679 -3.575 -3.787 3.627 + 1579TIP3 H253680 -3.694 -3.731 3.550 + 1579TIP3 OH253681 -3.055 -4.072 4.270 + 1579TIP3 H153682 -3.088 -4.047 4.358 + 1579TIP3 H253683 -3.137 -4.076 4.218 + 1579TIP3 OH253684 -3.825 -3.666 3.397 + 1579TIP3 H153685 -3.883 -3.699 3.326 + 1579TIP3 H253686 -3.743 -3.650 3.347 + 1579TIP3 OH253687 -3.403 -3.707 4.193 + 1579TIP3 H153688 -3.331 -3.737 4.135 + 1579TIP3 H253689 -3.398 -3.773 4.264 + 1579TIP3 OH253690 -3.879 -4.060 3.791 + 1579TIP3 H153691 -3.920 -4.147 3.805 + 1579TIP3 H253692 -3.793 -4.084 3.754 + 1579TIP3 OH253693 -3.492 -3.191 3.576 + 1579TIP3 H153694 -3.559 -3.254 3.542 + 1579TIP3 H253695 -3.497 -3.205 3.673 + 1579TIP3 OH253696 -3.061 -3.930 3.343 + 1579TIP3 H153697 -3.159 -3.939 3.347 + 1579TIP3 H253698 -3.043 -3.863 3.411 + 1579TIP3 OH253699 -2.996 -3.748 3.559 + 1579TIP3 H153700 -2.910 -3.764 3.603 + 1579TIP3 H253701 -2.983 -3.661 3.519 + 1579TIP3 OH253702 -3.968 -3.309 4.153 + 1579TIP3 H153703 -3.902 -3.291 4.084 + 1579TIP3 H253704 -3.918 -3.371 4.210 + 1579TIP3 OH253705 -3.249 -3.054 3.471 + 1579TIP3 H153706 -3.272 -2.975 3.522 + 1579TIP3 H253707 -3.315 -3.118 3.501 + 1580TIP3 OH253708 -2.534 -3.745 3.539 + 1580TIP3 H153709 -2.590 -3.766 3.461 + 1580TIP3 H253710 -2.522 -3.649 3.525 + 1580TIP3 OH253711 -2.732 -2.905 3.529 + 1580TIP3 H153712 -2.729 -2.966 3.604 + 1580TIP3 H253713 -2.651 -2.924 3.480 + 1580TIP3 OH253714 -3.015 -3.328 4.241 + 1580TIP3 H153715 -3.094 -3.372 4.277 + 1580TIP3 H253716 -2.965 -3.404 4.206 + 1580TIP3 OH253717 -3.724 -2.937 3.866 + 1580TIP3 H153718 -3.687 -2.847 3.866 + 1580TIP3 H253719 -3.819 -2.920 3.868 + 1580TIP3 OH253720 -4.153 -3.445 3.356 + 1580TIP3 H153721 -4.082 -3.394 3.399 + 1580TIP3 H253722 -4.229 -3.390 3.379 + 1580TIP3 OH253723 -3.543 -3.167 3.866 + 1580TIP3 H153724 -3.586 -3.079 3.864 + 1580TIP3 H253725 -3.617 -3.224 3.893 + 1580TIP3 OH253726 -3.676 -2.661 3.786 + 1580TIP3 H153727 -3.772 -2.648 3.786 + 1580TIP3 H253728 -3.645 -2.572 3.813 + 1580TIP3 OH253729 -2.972 -3.038 3.335 + 1580TIP3 H153730 -2.924 -3.078 3.409 + 1580TIP3 H253731 -3.063 -3.052 3.366 + 1580TIP3 OH253732 -2.491 -2.618 3.379 + 1580TIP3 H153733 -2.421 -2.551 3.367 + 1580TIP3 H253734 -2.568 -2.560 3.389 + 1580TIP3 OH253735 -2.876 -3.182 3.577 + 1580TIP3 H153736 -2.895 -3.257 3.636 + 1580TIP3 H253737 -2.779 -3.179 3.579 + 1581TIP3 OH253738 -3.542 -2.931 3.196 + 1581TIP3 H153739 -3.510 -3.005 3.142 + 1581TIP3 H253740 -3.583 -2.979 3.270 + 1581TIP3 OH253741 -3.653 -2.947 3.478 + 1581TIP3 H153742 -3.619 -3.026 3.523 + 1581TIP3 H253743 -3.635 -2.878 3.543 + 1581TIP3 OH253744 -3.986 -3.243 3.499 + 1581TIP3 H153745 -4.057 -3.205 3.556 + 1581TIP3 H253746 -3.940 -3.161 3.476 + 1581TIP3 OH253747 -3.136 -4.057 3.631 + 1581TIP3 H153748 -3.128 -3.997 3.555 + 1581TIP3 H253749 -3.099 -4.003 3.703 + 1581TIP3 OH253750 -3.404 -3.848 3.731 + 1581TIP3 H153751 -3.327 -3.790 3.747 + 1581TIP3 H253752 -3.434 -3.869 3.822 + 1581TIP3 OH253753 -3.341 -4.172 3.824 + 1581TIP3 H153754 -3.360 -4.100 3.886 + 1581TIP3 H253755 -3.275 -4.131 3.765 + 1581TIP3 OH253756 -3.776 -4.051 3.483 + 1581TIP3 H153757 -3.770 -3.968 3.533 + 1581TIP3 H253758 -3.689 -4.089 3.504 + 1581TIP3 OH253759 -2.895 -3.570 4.141 + 1581TIP3 H153760 -2.974 -3.618 4.109 + 1581TIP3 H253761 -2.840 -3.646 4.172 + 1581TIP3 OH253762 -3.923 -2.959 3.383 + 1581TIP3 H153763 -3.842 -2.923 3.422 + 1581TIP3 H253764 -3.886 -3.016 3.314 + 1581TIP3 OH253765 -4.115 -3.747 3.299 + 1581TIP3 H153766 -4.108 -3.652 3.317 + 1581TIP3 H253767 -4.192 -3.755 3.241 + 1582TIP3 OH253768 -2.794 -2.615 4.366 + 1582TIP3 H153769 -2.814 -2.547 4.299 + 1582TIP3 H253770 -2.702 -2.630 4.341 + 1582TIP3 OH253771 -4.087 -4.238 4.182 + 1582TIP3 H153772 -4.064 -4.248 4.089 + 1582TIP3 H253773 -4.086 -4.331 4.212 + 1582TIP3 OH253774 -4.135 -2.879 3.797 + 1582TIP3 H153775 -4.227 -2.849 3.807 + 1582TIP3 H253776 -4.109 -2.838 3.714 + 1582TIP3 OH253777 -3.345 -2.743 3.266 + 1582TIP3 H153778 -3.399 -2.821 3.243 + 1582TIP3 H253779 -3.256 -2.777 3.246 + 1582TIP3 OH253780 -2.869 -2.767 3.260 + 1582TIP3 H153781 -2.849 -2.841 3.320 + 1582TIP3 H253782 -2.788 -2.762 3.208 + 1582TIP3 OH253783 -3.777 -3.185 3.234 + 1582TIP3 H153784 -3.763 -3.253 3.302 + 1582TIP3 H253785 -3.695 -3.195 3.181 + 1582TIP3 OH253786 -3.262 -3.059 3.189 + 1582TIP3 H153787 -3.258 -3.062 3.286 + 1582TIP3 H253788 -3.260 -3.155 3.168 + 1582TIP3 OH253789 -3.671 -3.384 3.462 + 1582TIP3 H153790 -3.734 -3.435 3.517 + 1582TIP3 H253791 -3.642 -3.453 3.398 + 1582TIP3 OH253792 -3.576 -3.581 3.287 + 1582TIP3 H153793 -3.579 -3.576 3.190 + 1582TIP3 H253794 -3.480 -3.589 3.302 + 1582TIP3 OH253795 -2.626 -3.331 3.220 + 1582TIP3 H153796 -2.635 -3.373 3.132 + 1582TIP3 H253797 -2.634 -3.237 3.195 + 1583TIP3 OH253798 -4.196 -2.970 3.303 + 1583TIP3 H153799 -4.126 -2.979 3.370 + 1583TIP3 H253800 -4.221 -3.062 3.285 + 1583TIP3 OH253801 -4.271 -2.692 4.018 + 1583TIP3 H153802 -4.275 -2.783 4.055 + 1583TIP3 H253803 -4.246 -2.645 4.099 + 1583TIP3 OH253804 -2.518 -2.550 4.290 + 1583TIP3 H153805 -2.505 -2.588 4.379 + 1583TIP3 H253806 -2.427 -2.552 4.259 + 1583TIP3 OH253807 -2.587 -3.193 3.615 + 1583TIP3 H153808 -2.496 -3.161 3.629 + 1583TIP3 H253809 -2.592 -3.258 3.688 + 1583TIP3 OH253810 -2.539 -3.397 3.813 + 1583TIP3 H153811 -2.605 -3.455 3.856 + 1583TIP3 H253812 -2.469 -3.389 3.881 + 1583TIP3 OH253813 -2.564 -3.191 4.355 + 1583TIP3 H153814 -2.501 -3.228 4.292 + 1583TIP3 H253815 -2.566 -3.096 4.332 + 1583TIP3 OH253816 -2.516 -3.455 3.469 + 1583TIP3 H153817 -2.566 -3.425 3.391 + 1583TIP3 H253818 -2.526 -3.379 3.529 + 1583TIP3 OH253819 -2.690 -3.697 3.294 + 1583TIP3 H153820 -2.660 -3.638 3.223 + 1583TIP3 H253821 -2.712 -3.779 3.245 + 1583TIP3 OH253822 -2.752 -3.583 3.892 + 1583TIP3 H153823 -2.754 -3.678 3.875 + 1583TIP3 H253824 -2.785 -3.578 3.984 + 1583TIP3 OH253825 -4.217 -3.301 4.316 + 1583TIP3 H153826 -4.268 -3.330 4.238 + 1583TIP3 H253827 -4.145 -3.365 4.318 + 1584TIP3 OH253828 -2.746 -3.968 3.212 + 1584TIP3 H153829 -2.685 -4.012 3.274 + 1584TIP3 H253830 -2.827 -4.019 3.221 + 1584TIP3 OH253831 -2.763 -3.827 3.711 + 1584TIP3 H153832 -2.747 -3.924 3.718 + 1584TIP3 H253833 -2.681 -3.798 3.669 + 1584TIP3 OH253834 -2.741 -3.775 4.218 + 1584TIP3 H153835 -2.645 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1585TIP3 OH253861 -3.626 -2.702 4.212 + 1585TIP3 H153862 -3.611 -2.792 4.180 + 1585TIP3 H253863 -3.630 -2.718 4.307 + 1585TIP3 OH253864 -3.302 -4.109 4.127 + 1585TIP3 H153865 -3.364 -4.181 4.152 + 1585TIP3 H253866 -3.235 -4.159 4.077 + 1585TIP3 OH253867 -2.770 -4.349 4.151 + 1585TIP3 H153868 -2.715 -4.281 4.110 + 1585TIP3 H253869 -2.857 -4.309 4.160 + 1585TIP3 OH253870 -2.577 -4.221 3.956 + 1585TIP3 H153871 -2.519 -4.244 3.883 + 1585TIP3 H253872 -2.556 -4.127 3.970 + 1585TIP3 OH253873 -4.076 -4.280 3.872 + 1585TIP3 H153874 -4.159 -4.316 3.837 + 1585TIP3 H253875 -4.023 -4.360 3.886 + 1585TIP3 OH253876 -4.205 -4.301 3.475 + 1585TIP3 H153877 -4.172 -4.238 3.409 + 1585TIP3 H253878 -4.257 -4.242 3.533 + 1585TIP3 OH253879 -3.617 -4.230 3.891 + 1585TIP3 H153880 -3.523 -4.232 3.867 + 1585TIP3 H253881 -3.620 -4.290 3.967 + 1585TIP3 OH253882 -3.085 -4.269 4.012 + 1585TIP3 H153883 -3.019 -4.271 3.941 + 1585TIP3 H253884 -3.060 -4.346 4.067 + 1585TIP3 OH253885 -2.949 -4.272 3.620 + 1585TIP3 H153886 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4.101 + 1586TIP3 OH253912 -2.076 -3.014 4.261 + 1586TIP3 H153913 -2.098 -3.103 4.231 + 1586TIP3 H253914 -1.979 -3.018 4.254 + 1586TIP3 OH253915 -2.378 -3.663 3.778 + 1586TIP3 H153916 -2.414 -3.573 3.789 + 1586TIP3 H253917 -2.452 -3.708 3.736 + 1587TIP3 OH253918 -2.303 -3.424 3.969 + 1587TIP3 H153919 -2.280 -3.497 4.030 + 1587TIP3 H253920 -2.217 -3.405 3.930 + 1587TIP3 OH253921 -1.318 -2.608 4.113 + 1587TIP3 H153922 -1.258 -2.679 4.084 + 1587TIP3 H253923 -1.353 -2.640 4.197 + 1587TIP3 OH253924 -1.595 -3.226 4.326 + 1587TIP3 H153925 -1.537 -3.262 4.257 + 1587TIP3 H253926 -1.616 -3.304 4.377 + 1587TIP3 OH253927 -1.234 -3.728 4.317 + 1587TIP3 H153928 -1.189 -3.812 4.340 + 1587TIP3 H253929 -1.222 -3.725 4.220 + 1587TIP3 OH253930 -1.928 -3.941 4.042 + 1587TIP3 H153931 -1.904 -3.857 4.000 + 1587TIP3 H253932 -1.959 -3.990 3.963 + 1587TIP3 OH253933 -2.225 -3.675 4.101 + 1587TIP3 H153934 -2.178 -3.738 4.155 + 1587TIP3 H253935 -2.221 -3.718 4.013 + 1587TIP3 OH253936 -1.715 -3.531 4.057 + 1587TIP3 H153937 -1.637 -3.586 4.080 + 1587TIP3 H253938 -1.759 -3.589 3.992 + 1587TIP3 OH253939 -1.280 -3.080 3.793 + 1587TIP3 H153940 -1.318 -3.107 3.709 + 1587TIP3 H253941 -1.328 -2.997 3.811 + 1587TIP3 OH253942 -0.926 -4.015 4.061 + 1587TIP3 H153943 -0.993 -4.063 4.111 + 1587TIP3 H253944 -0.903 -3.945 4.124 + 1587TIP3 OH253945 -2.002 -3.849 4.298 + 1587TIP3 H153946 -2.009 -3.755 4.280 + 1587TIP3 H253947 -2.001 -3.889 4.209 + 1588TIP3 OH253948 -2.313 -3.112 3.627 + 1588TIP3 H153949 -2.328 -3.060 3.546 + 1588TIP3 H253950 -2.294 -3.042 3.694 + 1588TIP3 OH253951 -0.938 -3.037 4.262 + 1588TIP3 H153952 -1.015 -3.051 4.321 + 1588TIP3 H253953 -0.891 -2.967 4.307 + 1588TIP3 OH253954 -1.639 -4.317 4.153 + 1588TIP3 H153955 -1.599 -4.398 4.190 + 1588TIP3 H253956 -1.688 -4.280 4.228 + 1588TIP3 OH253957 -1.130 -2.775 3.969 + 1588TIP3 H153958 -1.085 -2.852 3.930 + 1588TIP3 H253959 -1.070 -2.703 3.945 + 1588TIP3 OH253960 -0.988 -2.984 3.817 + 1588TIP3 H153961 -1.047 -3.032 3.756 + 1588TIP3 H253962 -0.978 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1589TIP3 H153988 -0.901 -4.322 3.489 + 1589TIP3 H253989 -0.767 -4.274 3.451 + 1589TIP3 OH253990 -2.007 -3.463 3.681 + 1589TIP3 H153991 -2.026 -3.387 3.624 + 1589TIP3 H253992 -2.072 -3.527 3.652 + 1589TIP3 OH253993 -0.681 -2.883 3.298 + 1589TIP3 H153994 -0.666 -2.789 3.321 + 1589TIP3 H253995 -0.594 -2.922 3.319 + 1589TIP3 OH253996 -1.460 -2.537 3.699 + 1589TIP3 H153997 -1.464 -2.527 3.603 + 1589TIP3 H253998 -1.459 -2.445 3.731 + 1589TIP3 OH253999 -2.067 -2.660 3.812 + 1589TIP3 H154000 -2.064 -2.646 3.909 + 1589TIP3 H254001 -2.162 -2.658 3.797 + 1589TIP3 OH254002 -1.134 -2.596 3.418 + 1589TIP3 H154003 -1.076 -2.661 3.374 + 1589TIP3 H254004 -1.140 -2.633 3.508 + 1589TIP3 OH254005 -1.195 -2.653 3.698 + 1589TIP3 H154006 -1.290 -2.638 3.712 + 1589TIP3 H254007 -1.181 -2.727 3.759 + 1590TIP3 OH254008 -1.889 -4.209 4.306 + 1590TIP3 H154009 -1.948 -4.220 4.231 + 1590TIP3 H254010 -1.864 -4.115 4.304 + 1590TIP3 OH254011 -1.008 -3.362 3.291 + 1590TIP3 H154012 -1.027 -3.384 3.198 + 1590TIP3 H254013 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3.854 + 1591TIP3 H154039 -2.230 -3.796 3.807 + 1591TIP3 H254040 -2.122 -3.906 3.803 + 1591TIP3 OH254041 -1.800 -3.794 3.617 + 1591TIP3 H154042 -1.703 -3.789 3.633 + 1591TIP3 H254043 -1.815 -3.728 3.548 + 1591TIP3 OH254044 -1.184 -4.072 4.270 + 1591TIP3 H154045 -1.241 -4.046 4.344 + 1591TIP3 H254046 -1.243 -4.080 4.194 + 1591TIP3 OH254047 -1.944 -3.665 3.393 + 1591TIP3 H154048 -1.998 -3.695 3.319 + 1591TIP3 H254049 -1.860 -3.645 3.348 + 1591TIP3 OH254050 -1.510 -3.709 4.184 + 1591TIP3 H154051 -1.442 -3.743 4.123 + 1591TIP3 H254052 -1.503 -3.771 4.258 + 1591TIP3 OH254053 -1.988 -4.066 3.793 + 1591TIP3 H154054 -2.032 -4.153 3.801 + 1591TIP3 H254055 -1.905 -4.088 3.748 + 1591TIP3 OH254056 -1.595 -3.206 3.581 + 1591TIP3 H154057 -1.670 -3.259 3.546 + 1591TIP3 H254058 -1.611 -3.206 3.678 + 1591TIP3 OH254059 -1.178 -3.951 3.367 + 1591TIP3 H154060 -1.275 -3.959 3.376 + 1591TIP3 H254061 -1.157 -3.894 3.444 + 1591TIP3 OH254062 -1.109 -3.745 3.554 + 1591TIP3 H154063 -1.033 -3.763 3.612 + 1591TIP3 H254064 -1.087 -3.659 3.514 + 1591TIP3 OH254065 -2.097 -3.306 4.170 + 1591TIP3 H154066 -2.033 -3.286 4.100 + 1591TIP3 H254067 -2.045 -3.370 4.222 + 1592TIP3 OH254068 -1.353 -3.072 3.472 + 1592TIP3 H154069 -1.378 -2.987 3.512 + 1592TIP3 H254070 -1.426 -3.129 3.501 + 1592TIP3 OH254071 -0.644 -3.749 3.537 + 1592TIP3 H154072 -0.708 -3.767 3.466 + 1592TIP3 H254073 -0.637 -3.652 3.528 + 1592TIP3 OH254074 -0.829 -2.882 3.547 + 1592TIP3 H154075 -0.854 -2.959 3.601 + 1592TIP3 H254076 -0.775 -2.921 3.477 + 1592TIP3 OH254077 -1.107 -3.342 4.254 + 1592TIP3 H154078 -1.202 -3.358 4.265 + 1592TIP3 H254079 -1.079 -3.419 4.200 + 1592TIP3 OH254080 -1.838 -2.949 3.863 + 1592TIP3 H154081 -1.798 -2.862 3.882 + 1592TIP3 H254082 -1.931 -2.927 3.871 + 1592TIP3 OH254083 -2.242 -3.462 3.351 + 1592TIP3 H154084 -2.183 -3.396 3.390 + 1592TIP3 H254085 -2.329 -3.433 3.384 + 1592TIP3 OH254086 -1.658 -3.172 3.858 + 1592TIP3 H154087 -1.694 -3.081 3.858 + 1592TIP3 H254088 -1.732 -3.221 3.896 + 1592TIP3 OH254089 -1.788 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1593TIP3 H254115 -1.553 -3.874 3.816 + 1593TIP3 OH254116 -1.759 -2.715 3.527 + 1593TIP3 H154117 -1.766 -2.632 3.476 + 1593TIP3 H254118 -1.776 -2.684 3.618 + 1593TIP3 OH254119 -1.885 -4.053 3.483 + 1593TIP3 H154120 -1.885 -3.969 3.533 + 1593TIP3 H254121 -1.795 -4.085 3.506 + 1593TIP3 OH254122 -1.010 -3.573 4.137 + 1593TIP3 H154123 -1.086 -3.622 4.100 + 1593TIP3 H254124 -0.954 -3.647 4.170 + 1593TIP3 OH254125 -2.048 -2.960 3.379 + 1593TIP3 H154126 -1.977 -2.910 3.422 + 1593TIP3 H254127 -1.996 -3.010 3.315 + 1594TIP3 OH254128 -2.233 -3.745 3.291 + 1594TIP3 H154129 -2.219 -3.652 3.315 + 1594TIP3 H254130 -2.321 -3.742 3.251 + 1594TIP3 OH254131 -0.800 -2.476 4.358 + 1594TIP3 H154132 -0.861 -2.439 4.291 + 1594TIP3 H254133 -0.771 -2.555 4.312 + 1594TIP3 OH254134 -2.218 -4.244 4.179 + 1594TIP3 H154135 -2.188 -4.241 4.087 + 1594TIP3 H254136 -2.184 -4.332 4.205 + 1594TIP3 OH254137 -2.265 -2.897 3.799 + 1594TIP3 H154138 -2.334 -2.831 3.814 + 1594TIP3 H254139 -2.199 -2.845 3.751 + 1594TIP3 OH254140 -1.437 -2.766 3.243 + 1594TIP3 H154141 -1.513 -2.827 3.235 + 1594TIP3 H254142 -1.367 -2.822 3.207 + 1594TIP3 OH254143 -0.975 -2.775 3.255 + 1594TIP3 H154144 -0.959 -2.856 3.306 + 1594TIP3 H254145 -0.895 -2.771 3.198 + 1594TIP3 OH254146 -1.895 -3.194 3.227 + 1594TIP3 H154147 -1.878 -3.252 3.303 + 1594TIP3 H254148 -1.808 -3.197 3.183 + 1594TIP3 OH254149 -1.370 -3.060 3.188 + 1594TIP3 H154150 -1.375 -3.064 3.286 + 1594TIP3 H254151 -1.377 -3.156 3.167 + 1594TIP3 OH254152 -1.786 -3.384 3.461 + 1594TIP3 H154153 -1.846 -3.435 3.517 + 1594TIP3 H254154 -1.755 -3.453 3.398 + 1594TIP3 OH254155 -1.691 -3.584 3.287 + 1594TIP3 H154156 -1.694 -3.575 3.190 + 1594TIP3 H254157 -1.595 -3.587 3.303 + 1595TIP3 OH254158 -0.737 -3.339 3.210 + 1595TIP3 H154159 -0.768 -3.366 3.122 + 1595TIP3 H254160 -0.743 -3.242 3.200 + 1595TIP3 OH254161 -1.715 -2.458 3.396 + 1595TIP3 H154162 -1.619 -2.449 3.408 + 1595TIP3 H254163 -1.726 -2.415 3.310 + 1595TIP3 OH254164 -2.323 -3.020 3.350 + 1595TIP3 H154165 -2.228 -3.000 3.364 + 1595TIP3 H254166 -2.319 -3.099 3.292 + 1595TIP3 OH254167 -2.416 -2.494 3.821 + 1595TIP3 H154168 -2.483 -2.536 3.761 + 1595TIP3 H254169 -2.413 -2.560 3.894 + 1595TIP3 OH254170 -2.405 -2.686 4.015 + 1595TIP3 H154171 -2.404 -2.777 4.046 + 1595TIP3 H254172 -2.337 -2.647 4.073 + 1595TIP3 OH254173 -0.604 -2.640 4.282 + 1595TIP3 H154174 -0.617 -2.616 4.376 + 1595TIP3 H254175 -0.537 -2.575 4.258 + 1595TIP3 OH254176 -0.699 -3.198 3.613 + 1595TIP3 H154177 -0.609 -3.164 3.630 + 1595TIP3 H254178 -0.710 -3.258 3.688 + 1595TIP3 OH254179 -0.636 -3.408 3.825 + 1595TIP3 H154180 -0.717 -3.455 3.854 + 1595TIP3 H254181 -0.592 -3.389 3.909 + 1595TIP3 OH254182 -0.643 -3.178 4.324 + 1595TIP3 H154183 -0.622 -3.205 4.235 + 1595TIP3 H254184 -0.695 -3.098 4.308 + 1595TIP3 OH254185 -0.627 -3.453 3.469 + 1595TIP3 H154186 -0.679 -3.427 3.390 + 1595TIP3 H254187 -0.642 -3.376 3.527 + 1596TIP3 OH254188 -0.802 -3.698 3.292 + 1596TIP3 H154189 -0.773 -3.640 3.221 + 1596TIP3 H254190 -0.826 -3.779 3.246 + 1596TIP3 OH254191 -0.852 -3.583 3.894 + 1596TIP3 H154192 -0.867 -3.676 3.867 + 1596TIP3 H254193 -0.900 -3.579 3.979 + 1596TIP3 OH254194 -2.374 -3.410 4.260 + 1596TIP3 H154195 -2.338 -3.373 4.178 + 1596TIP3 H254196 -2.297 -3.407 4.318 + 1596TIP3 OH254197 -0.853 -3.977 3.200 + 1596TIP3 H154198 -0.799 -4.013 3.273 + 1596TIP3 H254199 -0.939 -4.019 3.216 + 1596TIP3 OH254200 -0.872 -3.820 3.712 + 1596TIP3 H154201 -0.872 -3.916 3.727 + 1596TIP3 H254202 -0.786 -3.808 3.668 + 1596TIP3 OH254203 -0.856 -3.772 4.220 + 1596TIP3 H154204 -0.761 -3.779 4.234 + 1596TIP3 H254205 -0.893 -3.792 4.308 + 1596TIP3 OH254206 -0.836 -4.104 3.715 + 1596TIP3 H154207 -0.851 -4.131 3.806 + 1596TIP3 H254208 -0.911 -4.148 3.671 + 1596TIP3 OH254209 -2.301 -3.983 4.189 + 1596TIP3 H154210 -2.286 -4.080 4.198 + 1596TIP3 H254211 -2.238 -3.949 4.254 + 1596TIP3 OH254212 -2.463 -3.697 4.302 + 1596TIP3 H154213 -2.418 -3.735 4.224 + 1596TIP3 H254214 -2.434 -3.604 4.296 + 1596TIP3 OH254215 -0.634 -4.052 3.366 + 1596TIP3 H154216 -0.618 -4.143 3.340 + 1596TIP3 H254217 -0.546 -4.017 3.386 + 1597TIP3 OH254218 -2.401 -4.105 3.689 + 1597TIP3 H154219 -2.496 -4.093 3.672 + 1597TIP3 H254220 -2.361 -4.035 3.634 + 1597TIP3 OH254221 -0.947 -2.568 3.891 + 1597TIP3 H154222 -0.888 -2.593 3.819 + 1597TIP3 H254223 -0.886 -2.531 3.957 + 1597TIP3 OH254224 -2.266 -2.673 4.348 + 1597TIP3 H154225 -2.221 -2.750 4.383 + 1597TIP3 H254226 -2.210 -2.650 4.270 + 1597TIP3 OH254227 -1.924 -2.822 4.122 + 1597TIP3 H154228 -2.009 -2.866 4.139 + 1597TIP3 H254229 -1.955 -2.729 4.123 + 1597TIP3 OH254230 -1.704 -2.688 4.221 + 1597TIP3 H154231 -1.747 -2.759 4.171 + 1597TIP3 H254232 -1.742 -2.704 4.308 + 1597TIP3 OH254233 -0.881 -4.344 4.160 + 1597TIP3 H154234 -0.837 -4.274 4.111 + 1597TIP3 H254235 -0.976 -4.321 4.153 + 1597TIP3 OH254236 -0.660 -4.223 3.966 + 1597TIP3 H154237 -0.648 -4.240 3.873 + 1597TIP3 H254238 -0.688 -4.131 3.970 + 1597TIP3 OH254239 -2.179 -4.285 3.864 + 1597TIP3 H154240 -2.270 -4.309 3.845 + 1597TIP3 H254241 -2.141 -4.367 3.896 + 1597TIP3 OH254242 -2.320 -4.291 3.487 + 1597TIP3 H154243 -2.273 -4.242 3.417 + 1597TIP3 H254244 -2.356 -4.218 3.540 + 1597TIP3 OH254245 -1.703 -4.262 3.868 + 1597TIP3 H154246 -1.625 -4.209 3.886 + 1597TIP3 H254247 -1.726 -4.290 3.958 + 1598TIP3 OH254248 -1.147 -4.288 4.041 + 1598TIP3 H154249 -1.193 -4.249 3.965 + 1598TIP3 H254250 -1.194 -4.370 4.061 + 1598TIP3 OH254251 -1.064 -4.269 3.599 + 1598TIP3 H154252 -1.138 -4.206 3.611 + 1598TIP3 H254253 -1.101 -4.350 3.636 + 1598TIP3 OH254254 -2.281 -2.697 3.588 + 1598TIP3 H154255 -2.348 -2.704 3.518 + 1598TIP3 H254256 -2.279 -2.602 3.602 + 1598TIP3 OH254257 -2.127 -4.126 3.333 + 1598TIP3 H154258 -2.056 -4.161 3.275 + 1598TIP3 H254259 -2.074 -4.074 3.396 + 1598TIP3 OH254260 -1.612 -4.062 3.580 + 1598TIP3 H154261 -1.568 -4.134 3.627 + 1598TIP3 H254262 -1.585 -3.985 3.635 + 1598TIP3 OH254263 -1.410 -2.512 3.403 + 1598TIP3 H154264 -1.312 -2.512 3.401 + 1598TIP3 H254265 -1.429 -2.579 3.337 + 1598TIP3 OH254266 -0.757 -2.611 3.664 + 1598TIP3 H154267 -0.782 -2.695 3.619 + 1598TIP3 H254268 -0.763 -2.549 3.590 + 1598TIP3 OH254269 -2.132 -2.600 3.273 + 1598TIP3 H154270 -2.157 -2.577 3.364 + 1598TIP3 H254271 -2.056 -2.659 3.287 + 1598TIP3 OH254272 0.603 -3.370 3.923 + 1598TIP3 H154273 0.611 -3.273 3.930 + 1598TIP3 H254274 0.534 -3.378 3.855 + 1598TIP3 OH254275 0.498 -3.429 4.247 + 1598TIP3 H154276 0.494 -3.504 4.308 + 1598TIP3 H254277 0.489 -3.471 4.161 + 1599TIP3 OH254278 0.850 -3.152 4.035 + 1599TIP3 H154279 0.814 -3.222 4.092 + 1599TIP3 H254280 0.894 -3.101 4.106 + 1599TIP3 OH254281 -0.491 -3.650 3.781 + 1599TIP3 H154282 -0.542 -3.567 3.782 + 1599TIP3 H254283 -0.559 -3.713 3.754 + 1599TIP3 OH254284 -0.386 -3.394 4.048 + 1599TIP3 H154285 -0.394 -3.491 4.057 + 1599TIP3 H254286 -0.350 -3.387 3.958 + 1599TIP3 OH254287 0.558 -2.615 4.110 + 1599TIP3 H154288 0.626 -2.678 4.082 + 1599TIP3 H254289 0.538 -2.643 4.201 + 1599TIP3 OH254290 0.305 -3.199 4.278 + 1599TIP3 H154291 0.346 -3.267 4.223 + 1599TIP3 H254292 0.387 -3.163 4.319 + 1599TIP3 OH254293 0.654 -3.722 4.321 + 1599TIP3 H154294 0.692 -3.808 4.345 + 1599TIP3 H254295 0.660 -3.722 4.223 + 1599TIP3 OH254296 -0.040 -3.940 4.042 + 1599TIP3 H154297 -0.018 -3.856 3.997 + 1599TIP3 H254298 -0.070 -3.993 3.964 + 1599TIP3 OH254299 0.759 -3.918 3.874 + 1599TIP3 H154300 0.816 -3.964 3.938 + 1599TIP3 H254301 0.825 -3.877 3.816 + 1599TIP3 OH254302 -0.342 -3.674 4.100 + 1599TIP3 H154303 -0.299 -3.740 4.155 + 1599TIP3 H254304 -0.341 -3.720 4.014 + 1599TIP3 OH254305 0.166 -3.530 4.059 + 1599TIP3 H154306 0.243 -3.585 4.083 + 1599TIP3 H254307 0.124 -3.585 3.990 + 1600TIP3 OH254308 0.599 -3.084 3.793 + 1600TIP3 H154309 0.571 -3.101 3.702 + 1600TIP3 H254310 0.558 -2.998 3.812 + 1600TIP3 OH254311 0.946 -4.014 4.071 + 1600TIP3 H154312 0.906 -4.066 4.143 + 1600TIP3 H254313 0.994 -3.949 4.126 + 1600TIP3 OH254314 -0.111 -3.850 4.297 + 1600TIP3 H154315 -0.128 -3.757 4.279 + 1600TIP3 H254316 -0.113 -3.891 4.208 + 1600TIP3 OH254317 -0.426 -3.112 3.628 + 1600TIP3 H154318 -0.443 -3.065 3.545 + 1600TIP3 H254319 -0.408 -3.039 3.692 + 1600TIP3 OH254320 0.946 -3.091 4.277 + 1600TIP3 H154321 0.870 -3.074 4.336 + 1600TIP3 H254322 0.995 -3.009 4.285 + 1600TIP3 OH254323 0.249 4.378 4.165 + 1600TIP3 H154324 0.267 4.288 4.195 + 1600TIP3 H254325 0.184 4.410 4.229 + 1600TIP3 OH254326 0.746 -2.771 3.952 + 1600TIP3 H154327 0.798 -2.851 3.931 + 1600TIP3 H254328 0.816 -2.703 3.948 + 1600TIP3 OH254329 0.901 -2.991 3.819 + 1600TIP3 H154330 0.843 -3.033 3.754 + 1600TIP3 H254331 0.889 -3.051 3.896 + 1600TIP3 OH254332 0.475 -3.415 3.642 + 1600TIP3 H154333 0.410 -3.354 3.603 + 1600TIP3 H254334 0.548 -3.410 3.577 + 1600TIP3 OH254335 0.504 -3.595 3.346 + 1600TIP3 H154336 0.573 -3.565 3.408 + 1600TIP3 H254337 0.557 -3.653 3.288 + 1601TIP3 OH254338 0.825 -3.415 3.750 + 1601TIP3 H154339 0.760 -3.392 3.819 + 1601TIP3 H254340 0.887 -3.470 3.801 + 1601TIP3 OH254341 -0.032 -3.327 3.944 + 1601TIP3 H154342 -0.061 -3.372 3.863 + 1601TIP3 H254343 0.027 -3.391 3.985 + 1601TIP3 OH254344 0.067 -3.030 4.165 + 1601TIP3 H154345 0.098 -3.049 4.076 + 1601TIP3 H254346 0.150 -3.020 4.214 + 1601TIP3 OH254347 -0.001 -3.443 4.269 + 1601TIP3 H154348 0.063 -3.463 4.198 + 1601TIP3 H254349 0.059 -3.435 4.345 + 1601TIP3 OH254350 0.723 -3.472 3.495 + 1601TIP3 H154351 0.770 -3.443 3.576 + 1601TIP3 H254352 0.772 -3.420 3.427 + 1601TIP3 OH254353 0.462 -2.811 3.856 + 1601TIP3 H154354 0.520 -2.778 3.925 + 1601TIP3 H254355 0.419 -2.730 3.823 + 1601TIP3 OH254356 1.042 -4.322 3.415 + 1601TIP3 H154357 0.996 -4.323 3.501 + 1601TIP3 H254358 1.120 -4.270 3.440 + 1601TIP3 OH254359 -0.119 -3.459 3.683 + 1601TIP3 H154360 -0.140 -3.384 3.624 + 1601TIP3 H254361 -0.183 -3.525 3.655 + 1601TIP3 OH254362 1.205 -2.882 3.298 + 1601TIP3 H154363 1.220 -2.789 3.321 + 1601TIP3 H254364 1.292 -2.922 3.319 + 1601TIP3 OH254365 -0.490 -2.921 4.260 + 1601TIP3 H154366 -0.404 -2.882 4.244 + 1601TIP3 H254367 -0.542 -2.841 4.278 + 1602TIP3 OH254368 0.423 -2.539 3.699 + 1602TIP3 H154369 0.424 -2.526 3.602 + 1602TIP3 H254370 0.424 -2.448 3.732 + 1602TIP3 OH254371 -0.197 -2.625 3.865 + 1602TIP3 H154372 -0.183 -2.674 3.948 + 1602TIP3 H254373 -0.281 -2.663 3.835 + 1602TIP3 OH254374 0.752 -2.596 3.417 + 1602TIP3 H154375 0.810 -2.662 3.374 + 1602TIP3 H254376 0.746 -2.633 3.508 + 1602TIP3 OH254377 0.691 -2.656 3.694 + 1602TIP3 H154378 0.597 -2.637 3.712 + 1602TIP3 H254379 0.710 -2.720 3.765 + 1602TIP3 OH254380 0.000 -4.211 4.301 + 1602TIP3 H154381 -0.068 -4.222 4.234 + 1602TIP3 H254382 0.018 -4.115 4.301 + 1602TIP3 OH254383 0.877 -3.364 3.295 + 1602TIP3 H154384 0.858 -3.380 3.200 + 1602TIP3 H254385 0.971 -3.337 3.290 + 1602TIP3 OH254386 0.442 -3.993 3.341 + 1602TIP3 H154387 0.389 -4.004 3.422 + 1602TIP3 H254388 0.393 -4.054 3.282 + 1602TIP3 OH254389 0.006 -3.707 3.884 + 1602TIP3 H154390 -0.090 -3.716 3.867 + 1602TIP3 H254391 0.042 -3.728 3.796 + 1602TIP3 OH254392 0.566 -3.651 3.762 + 1602TIP3 H154393 0.525 -3.569 3.727 + 1602TIP3 H254394 0.633 -3.668 3.694 + 1602TIP3 OH254395 0.644 -3.710 4.042 + 1602TIP3 H154396 0.617 -3.653 3.967 + 1602TIP3 H254397 0.666 -3.792 3.993 + 1603TIP3 OH254398 0.085 -3.944 3.237 + 1603TIP3 H154399 0.053 -3.977 3.323 + 1603TIP3 H254400 0.004 -3.922 3.191 + 1603TIP3 OH254401 -0.551 -3.931 3.936 + 1603TIP3 H154402 -0.518 -3.958 4.023 + 1603TIP3 H254403 -0.524 -4.003 3.878 + 1603TIP3 OH254404 -0.416 -3.914 3.510 + 1603TIP3 H154405 -0.360 -3.860 3.452 + 1603TIP3 H254406 -0.486 -3.849 3.533 + 1603TIP3 OH254407 0.274 -3.940 3.983 + 1603TIP3 H154408 0.182 -3.959 4.006 + 1603TIP3 H254409 0.321 -3.975 4.060 + 1603TIP3 OH254410 -0.258 -3.823 3.849 + 1603TIP3 H154411 -0.346 -3.802 3.813 + 1603TIP3 H254412 -0.235 -3.908 3.805 + 1603TIP3 OH254413 0.100 -3.790 3.623 + 1603TIP3 H154414 0.197 -3.787 3.627 + 1603TIP3 H254415 0.077 -3.731 3.549 + 1603TIP3 OH254416 0.716 -4.071 4.268 + 1603TIP3 H154417 0.686 -4.047 4.357 + 1603TIP3 H254418 0.633 -4.076 4.218 + 1603TIP3 OH254419 -0.054 -3.671 3.397 + 1603TIP3 H154420 -0.111 -3.693 3.322 + 1603TIP3 H254421 0.029 -3.648 3.350 + 1603TIP3 OH254422 0.368 -3.707 4.193 + 1603TIP3 H154423 0.439 -3.739 4.135 + 1603TIP3 H254424 0.373 -3.772 4.265 + 1603TIP3 OH254425 -0.103 -4.067 3.788 + 1603TIP3 H154426 -0.148 -4.152 3.803 + 1603TIP3 H254427 -0.015 -4.096 3.758 + 1604TIP3 OH254428 0.292 -3.209 3.583 + 1604TIP3 H154429 0.216 -3.260 3.546 + 1604TIP3 H254430 0.273 -3.209 3.679 + 1604TIP3 OH254431 0.711 -3.929 3.342 + 1604TIP3 H154432 0.613 -3.938 3.346 + 1604TIP3 H254433 0.730 -3.863 3.411 + 1604TIP3 OH254434 0.776 -3.750 3.557 + 1604TIP3 H154435 0.862 -3.763 3.602 + 1604TIP3 H254436 0.785 -3.660 3.521 + 1604TIP3 OH254437 0.533 -3.073 3.475 + 1604TIP3 H154438 0.507 -2.986 3.512 + 1604TIP3 H254439 0.457 -3.128 3.502 + 1604TIP3 OH254440 1.238 -3.746 3.538 + 1604TIP3 H154441 1.181 -3.765 3.461 + 1604TIP3 H254442 1.249 -3.650 3.525 + 1604TIP3 OH254443 1.052 -2.885 3.545 + 1604TIP3 H154444 1.035 -2.960 3.603 + 1604TIP3 H254445 1.112 -2.921 3.478 + 1604TIP3 OH254446 0.765 -3.335 4.246 + 1604TIP3 H154447 0.677 -3.370 4.271 + 1604TIP3 H254448 0.806 -3.411 4.201 + 1604TIP3 OH254449 0.048 -2.941 3.882 + 1604TIP3 H154450 0.090 -2.855 3.872 + 1604TIP3 H254451 -0.044 -2.920 3.861 + 1604TIP3 OH254452 -0.355 -3.462 3.351 + 1604TIP3 H154453 -0.298 -3.394 3.391 + 1604TIP3 H254454 -0.443 -3.435 3.385 + 1604TIP3 OH254455 0.219 -3.181 3.858 + 1604TIP3 H154456 0.194 -3.087 3.863 + 1604TIP3 H254457 0.143 -3.224 3.899 + 1605TIP3 OH254458 0.089 -2.651 3.814 + 1605TIP3 H154459 -0.006 -2.633 3.819 + 1605TIP3 H254460 0.126 -2.565 3.839 + 1605TIP3 OH254461 0.802 -3.043 3.335 + 1605TIP3 H154462 0.845 -3.086 3.411 + 1605TIP3 H254463 0.709 -3.055 3.362 + 1605TIP3 OH254464 1.277 -2.616 3.389 + 1605TIP3 H154465 1.346 -2.551 3.368 + 1605TIP3 H254466 1.200 -2.557 3.392 + 1605TIP3 OH254467 0.898 -3.182 3.573 + 1605TIP3 H154468 0.872 -3.252 3.635 + 1605TIP3 H254469 0.995 -3.181 3.583 + 1605TIP3 OH254470 0.227 -2.936 3.194 + 1605TIP3 H154471 0.256 -3.014 3.144 + 1605TIP3 H254472 0.185 -2.976 3.272 + 1605TIP3 OH254473 0.111 -2.986 3.466 + 1605TIP3 H154474 0.164 -3.037 3.529 + 1605TIP3 H254475 0.125 -2.894 3.497 + 1605TIP3 OH254476 -0.205 -3.241 3.506 + 1605TIP3 H154477 -0.278 -3.201 3.557 + 1605TIP3 H254478 -0.158 -3.161 3.475 + 1605TIP3 OH254479 0.638 -4.057 3.630 + 1605TIP3 H154480 0.643 -3.996 3.556 + 1605TIP3 H254481 0.671 -4.003 3.703 + 1605TIP3 OH254482 0.404 -2.825 3.527 + 1605TIP3 H154483 0.325 -2.773 3.547 + 1605TIP3 H254484 0.443 -2.775 3.455 + 1605TIP3 OH254485 0.368 -3.850 3.730 + 1605TIP3 H154486 0.443 -3.789 3.746 + 1605TIP3 H254487 0.338 -3.869 3.821 + 1606TIP3 OH254488 0.430 -4.172 3.824 + 1606TIP3 H154489 0.411 -4.100 3.887 + 1606TIP3 H254490 0.495 -4.130 3.765 + 1606TIP3 OH254491 0.124 -2.715 3.528 + 1606TIP3 H154492 0.120 -2.635 3.472 + 1606TIP3 H254493 0.113 -2.679 3.618 + 1606TIP3 OH254494 -0.007 -4.051 3.478 + 1606TIP3 H154495 -0.006 -3.972 3.535 + 1606TIP3 H254496 0.080 -4.090 3.503 + 1606TIP3 OH254497 0.878 -3.572 4.137 + 1606TIP3 H154498 0.797 -3.618 4.109 + 1606TIP3 H254499 0.931 -3.647 4.172 + 1606TIP3 OH254500 -0.163 -2.962 3.382 + 1606TIP3 H154501 -0.090 -2.910 3.420 + 1606TIP3 H254502 -0.113 -3.010 3.313 + 1606TIP3 OH254503 -0.350 -3.742 3.289 + 1606TIP3 H154504 -0.334 -3.649 3.315 + 1606TIP3 H254505 -0.443 -3.738 3.265 + 1606TIP3 OH254506 1.015 -2.553 4.382 + 1606TIP3 H154507 0.996 -2.473 4.329 + 1606TIP3 H254508 1.060 -2.602 4.313 + 1606TIP3 OH254509 -0.330 -4.241 4.180 + 1606TIP3 H154510 -0.303 -4.242 4.088 + 1606TIP3 H254511 -0.300 -4.331 4.206 + 1606TIP3 OH254512 -0.368 -2.891 3.801 + 1606TIP3 H154513 -0.444 -2.836 3.822 + 1606TIP3 H254514 -0.326 -2.839 3.730 + 1606TIP3 OH254515 0.449 -2.766 3.243 + 1606TIP3 H154516 0.373 -2.828 3.234 + 1606TIP3 H254517 0.520 -2.820 3.205 + 1607TIP3 OH254518 0.911 -2.776 3.254 + 1607TIP3 H154519 0.928 -2.856 3.307 + 1607TIP3 H254520 0.991 -2.771 3.198 + 1607TIP3 OH254521 -0.010 -3.194 3.227 + 1607TIP3 H154522 0.009 -3.252 3.303 + 1607TIP3 H254523 0.077 -3.195 3.182 + 1607TIP3 OH254524 0.514 -3.061 3.189 + 1607TIP3 H154525 0.511 -3.064 3.286 + 1607TIP3 H254526 0.510 -3.157 3.168 + 1607TIP3 OH254527 0.100 -3.385 3.462 + 1607TIP3 H154528 0.040 -3.435 3.518 + 1607TIP3 H254529 0.130 -3.454 3.398 + 1607TIP3 OH254530 0.194 -3.584 3.286 + 1607TIP3 H154531 0.192 -3.574 3.189 + 1607TIP3 H254532 0.290 -3.588 3.303 + 1607TIP3 OH254533 1.147 -3.333 3.218 + 1607TIP3 H154534 1.135 -3.373 3.131 + 1607TIP3 H254535 1.136 -3.238 3.196 + 1607TIP3 OH254536 0.172 -2.463 3.396 + 1607TIP3 H154537 0.267 -2.448 3.408 + 1607TIP3 H254538 0.157 -2.414 3.313 + 1607TIP3 OH254539 -0.437 -3.022 3.355 + 1607TIP3 H154540 -0.342 -3.000 3.364 + 1607TIP3 H254541 -0.434 -3.097 3.292 + 1607TIP3 OH254542 -0.537 -2.501 3.823 + 1607TIP3 H154543 -0.609 -2.539 3.769 + 1607TIP3 H254544 -0.528 -2.570 3.892 + 1607TIP3 OH254545 -0.494 -2.701 4.018 + 1607TIP3 H154546 -0.535 -2.785 4.042 + 1607TIP3 H254547 -0.464 -2.673 4.107 + 1608TIP3 OH254548 1.273 -2.564 4.269 + 1608TIP3 H154549 1.250 -2.578 4.363 + 1608TIP3 H254550 1.370 -2.560 4.274 + 1608TIP3 OH254551 1.186 -3.195 3.613 + 1608TIP3 H154552 1.276 -3.162 3.630 + 1608TIP3 H254553 1.177 -3.258 3.687 + 1608TIP3 OH254554 1.235 -3.401 3.812 + 1608TIP3 H154555 1.165 -3.454 3.855 + 1608TIP3 H254556 1.301 -3.389 3.884 + 1608TIP3 OH254557 1.228 -3.168 4.336 + 1608TIP3 H154558 1.275 -3.218 4.269 + 1608TIP3 H254559 1.215 -3.082 4.294 + 1608TIP3 OH254560 1.258 -3.454 3.468 + 1608TIP3 H154561 1.206 -3.426 3.390 + 1608TIP3 H254562 1.243 -3.379 3.528 + 1608TIP3 OH254563 1.084 -3.698 3.294 + 1608TIP3 H154564 1.112 -3.638 3.224 + 1608TIP3 H254565 1.059 -3.778 3.244 + 1608TIP3 OH254566 1.023 -3.583 3.893 + 1608TIP3 H154567 1.017 -3.678 3.875 + 1608TIP3 H254568 0.987 -3.576 3.983 + 1608TIP3 OH254569 1.026 -3.970 3.211 + 1608TIP3 H154570 1.085 -4.012 3.275 + 1608TIP3 H254571 0.943 -4.018 3.223 + 1608TIP3 OH254572 1.008 -3.827 3.712 + 1608TIP3 H154573 1.025 -3.924 3.717 + 1608TIP3 H254574 1.090 -3.798 3.669 + 1608TIP3 OH254575 1.031 -3.776 4.219 + 1608TIP3 H154576 1.126 -3.773 4.235 + 1608TIP3 H254577 0.994 -3.785 4.309 + 1609TIP3 OH254578 1.039 -4.099 3.719 + 1609TIP3 H154579 1.057 -4.149 3.800 + 1609TIP3 H254580 0.976 -4.159 3.674 + 1609TIP3 OH254581 -0.415 -3.982 4.194 + 1609TIP3 H154582 -0.402 -4.079 4.199 + 1609TIP3 H254583 -0.349 -3.952 4.257 + 1609TIP3 OH254584 -0.581 -3.703 4.298 + 1609TIP3 H154585 -0.538 -3.749 4.225 + 1609TIP3 H254586 -0.533 -3.619 4.300 + 1609TIP3 OH254587 1.252 -4.057 3.381 + 1609TIP3 H154588 1.268 -4.142 3.335 + 1609TIP3 H254589 1.338 -4.015 3.380 + 1609TIP3 OH254590 -0.517 -4.110 3.685 + 1609TIP3 H154591 -0.613 -4.097 3.674 + 1609TIP3 H254592 -0.479 -4.036 3.635 + 1609TIP3 OH254593 0.941 -2.569 3.899 + 1609TIP3 H154594 0.995 -2.592 3.822 + 1609TIP3 H254595 1.005 -2.532 3.961 + 1609TIP3 OH254596 -0.335 -2.680 4.256 + 1609TIP3 H154597 -0.307 -2.658 4.348 + 1609TIP3 H254598 -0.247 -2.692 4.215 + 1609TIP3 OH254599 -0.121 -2.771 4.117 + 1609TIP3 H154600 -0.110 -2.867 4.131 + 1609TIP3 H254601 -0.033 -2.739 4.147 + 1609TIP3 OH254602 0.130 -2.707 4.213 + 1609TIP3 H154603 0.172 -2.790 4.186 + 1609TIP3 H254604 0.149 -2.707 4.307 + 1609TIP3 OH254605 0.469 -4.109 4.126 + 1609TIP3 H154606 0.408 -4.180 4.153 + 1609TIP3 H254607 0.537 -4.160 4.077 + 1610TIP3 OH254608 1.001 -4.350 4.148 + 1610TIP3 H154609 1.055 -4.279 4.112 + 1610TIP3 H254610 0.914 -4.311 4.162 + 1610TIP3 OH254611 1.202 -4.223 3.959 + 1610TIP3 H154612 1.250 -4.243 3.878 + 1610TIP3 H254613 1.212 -4.127 3.969 + 1610TIP3 OH254614 -0.292 -4.287 3.856 + 1610TIP3 H154615 -0.387 -4.303 3.851 + 1610TIP3 H254616 -0.259 -4.368 3.897 + 1610TIP3 OH254617 -0.438 -4.284 3.469 + 1610TIP3 H154618 -0.381 -4.229 3.413 + 1610TIP3 H254619 -0.473 -4.221 3.534 + 1610TIP3 OH254620 0.154 -4.235 3.889 + 1610TIP3 H154621 0.248 -4.232 3.868 + 1610TIP3 H254622 0.153 -4.287 3.970 + 1610TIP3 OH254623 0.687 -4.269 4.012 + 1610TIP3 H154624 0.751 -4.273 3.941 + 1610TIP3 H254625 0.711 -4.346 4.068 + 1610TIP3 OH254626 0.824 -4.272 3.618 + 1610TIP3 H154627 0.747 -4.214 3.604 + 1610TIP3 H254628 0.783 -4.359 3.625 + 1610TIP3 OH254629 -0.392 -2.697 3.596 + 1610TIP3 H154630 -0.454 -2.708 3.522 + 1610TIP3 H254631 -0.391 -2.600 3.602 + 1610TIP3 OH254632 -0.240 -4.110 3.315 + 1610TIP3 H154633 -0.169 -4.158 3.268 + 1610TIP3 H254634 -0.187 -4.064 3.383 + 1610TIP3 OH254635 0.279 -4.058 3.561 + 1610TIP3 H154636 0.290 -4.143 3.609 + 1610TIP3 H254637 0.300 -3.991 3.628 + 1611TIP3 OH254638 0.476 -2.514 3.406 + 1611TIP3 H154639 0.573 -2.511 3.401 + 1611TIP3 H254640 0.457 -2.579 3.336 + 1611TIP3 OH254641 1.128 -2.611 3.664 + 1611TIP3 H154642 1.103 -2.694 3.618 + 1611TIP3 H254643 1.122 -2.547 3.591 + 1611TIP3 OH254644 -0.251 -2.607 3.273 + 1611TIP3 H154645 -0.270 -2.572 3.361 + 1611TIP3 H254646 -0.168 -2.656 3.287 + 1611TIP3 OH254647 2.477 -3.378 3.892 + 1611TIP3 H154648 2.502 -3.292 3.932 + 1611TIP3 H254649 2.390 -3.353 3.858 + 1611TIP3 OH254650 2.383 -3.432 4.241 + 1611TIP3 H154651 2.379 -3.499 4.313 + 1611TIP3 H254652 2.362 -3.486 4.164 + 1611TIP3 OH254653 2.734 -3.155 4.035 + 1611TIP3 H154654 2.700 -3.222 4.097 + 1611TIP3 H254655 2.777 -3.100 4.104 + 1611TIP3 OH254656 1.698 -3.006 4.247 + 1611TIP3 H154657 1.670 -3.097 4.224 + 1611TIP3 H254658 1.793 -3.022 4.257 + 1611TIP3 OH254659 1.394 -3.659 3.779 + 1611TIP3 H154660 1.354 -3.571 3.788 + 1611TIP3 H254661 1.322 -3.710 3.740 + 1611TIP3 OH254662 1.469 -3.422 3.974 + 1611TIP3 H154663 1.491 -3.498 4.031 + 1611TIP3 H254664 1.553 -3.410 3.927 + 1611TIP3 OH254665 2.445 -2.614 4.111 + 1611TIP3 H154666 2.513 -2.679 4.085 + 1611TIP3 H254667 2.423 -2.642 4.201 + 1612TIP3 OH254668 2.190 -3.204 4.278 + 1612TIP3 H154669 2.237 -3.269 4.224 + 1612TIP3 H254670 2.268 -3.164 4.322 + 1612TIP3 OH254671 2.543 -3.720 4.311 + 1612TIP3 H154672 2.577 -3.806 4.342 + 1612TIP3 H254673 2.537 -3.732 4.215 + 1612TIP3 OH254674 1.851 -3.943 4.039 + 1612TIP3 H154675 1.865 -3.856 3.998 + 1612TIP3 H254676 1.817 -3.993 3.963 + 1612TIP3 OH254677 2.646 -3.902 3.872 + 1612TIP3 H154678 2.694 -3.957 3.938 + 1612TIP3 H254679 2.721 -3.879 3.813 + 1612TIP3 OH254680 1.555 -3.671 4.099 + 1612TIP3 H154681 1.585 -3.740 4.159 + 1612TIP3 H254682 1.548 -3.719 4.015 + 1612TIP3 OH254683 2.060 -3.530 4.051 + 1612TIP3 H154684 2.128 -3.591 4.086 + 1612TIP3 H254685 2.010 -3.590 3.992 + 1612TIP3 OH254686 2.484 -3.087 3.788 + 1612TIP3 H154687 2.454 -3.093 3.697 + 1612TIP3 H254688 2.447 -3.001 3.815 + 1612TIP3 OH254689 2.825 -4.009 4.071 + 1612TIP3 H154690 2.791 -4.066 4.142 + 1612TIP3 H254691 2.879 -3.949 4.126 + 1612TIP3 OH254692 1.774 -3.849 4.297 + 1612TIP3 H154693 1.754 -3.756 4.281 + 1612TIP3 H254694 1.768 -3.889 4.208 + 1612TIP3 OH254695 1.462 -3.112 3.627 + 1612TIP3 H154696 1.441 -3.062 3.546 + 1612TIP3 H254697 1.478 -3.042 3.693 + 1613TIP3 OH254698 2.827 -3.072 4.269 + 1613TIP3 H154699 2.770 -3.075 4.349 + 1613TIP3 H254700 2.901 -3.017 4.298 + 1613TIP3 OH254701 2.138 4.380 4.167 + 1613TIP3 H154702 2.150 4.288 4.194 + 1613TIP3 H254703 2.068 4.412 4.228 + 1613TIP3 OH254704 2.635 -2.772 3.954 + 1613TIP3 H154705 2.688 -2.850 3.930 + 1613TIP3 H254706 2.702 -2.701 3.948 + 1613TIP3 OH254707 2.789 -2.993 3.819 + 1613TIP3 H154708 2.724 -3.027 3.757 + 1613TIP3 H254709 2.775 -3.051 3.897 + 1613TIP3 OH254710 2.443 -3.597 3.394 + 1613TIP3 H154711 2.524 -3.571 3.349 + 1613TIP3 H254712 2.394 -3.635 3.319 + 1613TIP3 OH254713 2.683 -3.460 3.729 + 1613TIP3 H154714 2.647 -3.399 3.796 + 1613TIP3 H254715 2.768 -3.486 3.771 + 1613TIP3 OH254716 1.877 -3.332 3.924 + 1613TIP3 H154717 1.837 -3.376 3.846 + 1613TIP3 H254718 1.931 -3.402 3.963 + 1613TIP3 OH254719 1.971 -3.019 4.157 + 1613TIP3 H154720 1.998 -3.059 4.073 + 1613TIP3 H254721 2.053 -3.020 4.209 + 1613TIP3 OH254722 1.891 -3.455 4.268 + 1613TIP3 H154723 1.963 -3.459 4.203 + 1613TIP3 H254724 1.936 -3.422 4.347 + 1613TIP3 OH254725 2.351 -2.812 3.856 + 1613TIP3 H154726 2.403 -2.776 3.928 + 1613TIP3 H254727 2.305 -2.734 3.822 + 1614TIP3 OH254728 2.926 -4.319 3.415 + 1614TIP3 H154729 2.885 -4.325 3.503 + 1614TIP3 H254730 3.006 -4.270 3.438 + 1614TIP3 OH254731 1.766 -3.464 3.679 + 1614TIP3 H154732 1.743 -3.386 3.624 + 1614TIP3 H254733 1.697 -3.526 3.654 + 1614TIP3 OH254734 3.094 -2.868 3.312 + 1614TIP3 H154735 3.116 -2.773 3.315 + 1614TIP3 H254736 3.181 -2.909 3.326 + 1614TIP3 OH254737 1.385 -2.920 4.234 + 1614TIP3 H154738 1.481 -2.922 4.245 + 1614TIP3 H254739 1.359 -2.843 4.286 + 1614TIP3 OH254740 2.312 -2.539 3.699 + 1614TIP3 H154741 2.309 -2.526 3.603 + 1614TIP3 H254742 2.310 -2.448 3.733 + 1614TIP3 OH254743 1.689 -2.625 3.861 + 1614TIP3 H154744 1.703 -2.671 3.947 + 1614TIP3 H254745 1.604 -2.661 3.834 + 1614TIP3 OH254746 2.637 -2.595 3.416 + 1614TIP3 H154747 2.692 -2.662 3.371 + 1614TIP3 H254748 2.631 -2.633 3.506 + 1614TIP3 OH254749 2.577 -2.657 3.694 + 1614TIP3 H154750 2.483 -2.637 3.710 + 1614TIP3 H254751 2.594 -2.720 3.766 + 1614TIP3 OH254752 1.890 -4.213 4.297 + 1614TIP3 H154753 1.818 -4.222 4.234 + 1614TIP3 H254754 1.904 -4.116 4.303 + 1614TIP3 OH254755 2.343 -3.993 3.343 + 1614TIP3 H154756 2.288 -4.007 3.424 + 1614TIP3 H254757 2.293 -4.050 3.281 + 1615TIP3 OH254758 1.892 -3.705 3.884 + 1615TIP3 H154759 1.796 -3.712 3.870 + 1615TIP3 H254760 1.924 -3.727 3.795 + 1615TIP3 OH254761 2.507 -3.705 4.017 + 1615TIP3 H154762 2.522 -3.629 3.958 + 1615TIP3 H254763 2.552 -3.779 3.969 + 1615TIP3 OH254764 1.972 -3.942 3.239 + 1615TIP3 H154765 1.931 -3.981 3.318 + 1615TIP3 H254766 1.895 -3.920 3.183 + 1615TIP3 OH254767 1.319 -3.947 3.941 + 1615TIP3 H154768 1.370 -3.958 4.023 + 1615TIP3 H254769 1.367 -3.998 3.875 + 1615TIP3 OH254770 1.473 -3.911 3.514 + 1615TIP3 H154771 1.524 -3.860 3.448 + 1615TIP3 H254772 1.400 -3.847 3.532 + 1615TIP3 OH254773 2.164 -3.941 3.971 + 1615TIP3 H154774 2.071 -3.956 3.994 + 1615TIP3 H254775 2.208 -3.973 4.053 + 1615TIP3 OH254776 1.627 -3.825 3.850 + 1615TIP3 H154777 1.541 -3.797 3.811 + 1615TIP3 H254778 1.647 -3.908 3.803 + 1615TIP3 OH254779 1.998 -3.796 3.622 + 1615TIP3 H154780 2.089 -3.765 3.621 + 1615TIP3 H254781 1.956 -3.742 3.552 + 1615TIP3 OH254782 2.600 -4.070 4.267 + 1615TIP3 H154783 2.571 -4.045 4.357 + 1615TIP3 H254784 2.516 -4.078 4.219 + 1615TIP3 OH254785 1.839 -3.677 3.401 + 1615TIP3 H154786 1.776 -3.694 3.329 + 1615TIP3 H254787 1.918 -3.654 3.348 + 1616TIP3 OH254788 2.253 -3.706 4.190 + 1616TIP3 H154789 2.322 -3.741 4.132 + 1616TIP3 H254790 2.255 -3.769 4.264 + 1616TIP3 OH254791 1.783 -4.067 3.790 + 1616TIP3 H154792 1.734 -4.150 3.804 + 1616TIP3 H254793 1.867 -4.099 3.754 + 1616TIP3 OH254794 2.212 -3.252 3.595 + 1616TIP3 H154795 2.131 -3.277 3.546 + 1616TIP3 H254796 2.177 -3.225 3.682 + 1616TIP3 OH254797 2.601 -3.895 3.372 + 1616TIP3 H154798 2.505 -3.914 3.367 + 1616TIP3 H254799 2.609 -3.829 3.442 + 1616TIP3 OH254800 1.678 -3.299 4.174 + 1616TIP3 H154801 1.737 -3.286 4.099 + 1616TIP3 H254802 1.726 -3.368 4.223 + 1616TIP3 OH254803 2.421 -3.072 3.479 + 1616TIP3 H154804 2.388 -2.985 3.510 + 1616TIP3 H254805 2.348 -3.131 3.505 + 1616TIP3 OH254806 3.126 -3.743 3.544 + 1616TIP3 H154807 3.073 -3.776 3.470 + 1616TIP3 H254808 3.135 -3.648 3.523 + 1616TIP3 OH254809 2.920 -2.899 3.535 + 1616TIP3 H154810 2.934 -2.963 3.607 + 1616TIP3 H254811 2.997 -2.911 3.477 + 1616TIP3 OH254812 2.654 -3.336 4.236 + 1616TIP3 H154813 2.571 -3.368 4.274 + 1616TIP3 H254814 2.696 -3.417 4.202 + 1616TIP3 OH254815 1.934 -2.944 3.868 + 1616TIP3 H154816 1.971 -2.854 3.874 + 1616TIP3 H254817 1.839 -2.924 3.867 + 1617TIP3 OH254818 1.531 -3.464 3.353 + 1617TIP3 H154819 1.586 -3.393 3.390 + 1617TIP3 H254820 1.442 -3.436 3.383 + 1617TIP3 OH254821 2.112 -3.172 3.851 + 1617TIP3 H154822 2.080 -3.081 3.857 + 1617TIP3 H254823 2.036 -3.221 3.886 + 1617TIP3 OH254824 1.975 -2.651 3.813 + 1617TIP3 H154825 1.879 -2.636 3.819 + 1617TIP3 H254826 2.010 -2.564 3.838 + 1617TIP3 OH254827 2.687 -3.061 3.331 + 1617TIP3 H154828 2.732 -3.083 3.414 + 1617TIP3 H254829 2.595 -3.057 3.363 + 1617TIP3 OH254830 3.182 -2.599 3.359 + 1617TIP3 H154831 3.252 -2.530 3.355 + 1617TIP3 H254832 3.104 -2.541 3.362 + 1617TIP3 OH254833 2.783 -3.196 3.567 + 1617TIP3 H154834 2.763 -3.259 3.637 + 1617TIP3 H254835 2.877 -3.178 3.581 + 1617TIP3 OH254836 2.112 -2.936 3.196 + 1617TIP3 H154837 2.139 -3.012 3.141 + 1617TIP3 H254838 2.077 -2.981 3.275 + 1617TIP3 OH254839 2.025 -3.005 3.478 + 1617TIP3 H154840 2.038 -3.040 3.567 + 1617TIP3 H254841 2.024 -2.909 3.496 + 1617TIP3 OH254842 1.682 -3.240 3.507 + 1617TIP3 H154843 1.607 -3.203 3.557 + 1617TIP3 H254844 1.724 -3.158 3.474 + 1617TIP3 OH254845 2.515 -4.055 3.635 + 1617TIP3 H154846 2.539 -4.009 3.553 + 1617TIP3 H254847 2.568 -4.011 3.703 + 1618TIP3 OH254848 2.293 -2.825 3.528 + 1618TIP3 H154849 2.210 -2.776 3.546 + 1618TIP3 H254850 2.328 -2.774 3.454 + 1618TIP3 OH254851 2.297 -3.792 3.745 + 1618TIP3 H154852 2.374 -3.804 3.800 + 1618TIP3 H254853 2.233 -3.845 3.796 + 1618TIP3 OH254854 2.316 -4.173 3.829 + 1618TIP3 H154855 2.296 -4.099 3.888 + 1618TIP3 H254856 2.376 -4.132 3.763 + 1618TIP3 OH254857 2.008 -2.726 3.524 + 1618TIP3 H154858 2.003 -2.645 3.469 + 1618TIP3 H254859 1.995 -2.689 3.614 + 1618TIP3 OH254860 1.879 -4.053 3.480 + 1618TIP3 H154861 1.880 -3.972 3.533 + 1618TIP3 H254862 1.966 -4.092 3.501 + 1618TIP3 OH254863 2.763 -3.576 4.124 + 1618TIP3 H154864 2.680 -3.624 4.116 + 1618TIP3 H254865 2.820 -3.646 4.166 + 1618TIP3 OH254866 1.733 -2.967 3.388 + 1618TIP3 H154867 1.799 -2.902 3.418 + 1618TIP3 H254868 1.783 -3.011 3.317 + 1618TIP3 OH254869 1.537 -3.744 3.293 + 1618TIP3 H154870 1.549 -3.649 3.315 + 1618TIP3 H254871 1.450 -3.743 3.251 + 1618TIP3 OH254872 2.940 -2.481 4.380 + 1618TIP3 H154873 2.908 -2.434 4.301 + 1618TIP3 H254874 2.963 -2.565 4.339 + 1618TIP3 OH254875 1.555 -4.242 4.179 + 1618TIP3 H154876 1.583 -4.243 4.087 + 1618TIP3 H254877 1.585 -4.331 4.206 + 1619TIP3 OH254878 1.518 -2.892 3.797 + 1619TIP3 H154879 1.443 -2.839 3.827 + 1619TIP3 H254880 1.556 -2.836 3.729 + 1619TIP3 OH254881 2.336 -2.767 3.245 + 1619TIP3 H154882 2.260 -2.828 3.234 + 1619TIP3 H254883 2.406 -2.818 3.203 + 1619TIP3 OH254884 2.794 -2.781 3.252 + 1619TIP3 H154885 2.829 -2.852 3.309 + 1619TIP3 H254886 2.871 -2.761 3.195 + 1619TIP3 OH254887 1.877 -3.189 3.229 + 1619TIP3 H154888 1.894 -3.248 3.304 + 1619TIP3 H254889 1.961 -3.195 3.181 + 1619TIP3 OH254890 2.399 -3.058 3.188 + 1619TIP3 H154891 2.393 -3.062 3.285 + 1619TIP3 H254892 2.389 -3.153 3.166 + 1619TIP3 OH254893 1.987 -3.386 3.458 + 1619TIP3 H154894 1.921 -3.429 3.514 + 1619TIP3 H254895 2.010 -3.457 3.395 + 1619TIP3 OH254896 2.088 -3.588 3.288 + 1619TIP3 H154897 2.072 -3.585 3.191 + 1619TIP3 H254898 2.179 -3.560 3.293 + 1619TIP3 OH254899 2.991 -3.353 3.181 + 1619TIP3 H154900 3.062 -3.364 3.116 + 1619TIP3 H254901 2.996 -3.256 3.197 + 1619TIP3 OH254902 2.058 -2.465 3.395 + 1619TIP3 H154903 2.153 -2.448 3.409 + 1619TIP3 H254904 2.043 -2.414 3.315 + 1619TIP3 OH254905 1.450 -3.020 3.351 + 1619TIP3 H154906 1.545 -3.003 3.364 + 1619TIP3 H254907 1.451 -3.098 3.292 + 1620TIP3 OH254908 1.351 -2.503 3.822 + 1620TIP3 H154909 1.277 -2.538 3.770 + 1620TIP3 H254910 1.357 -2.569 3.894 + 1620TIP3 OH254911 1.391 -2.703 4.018 + 1620TIP3 H154912 1.360 -2.790 4.049 + 1620TIP3 H254913 1.414 -2.664 4.105 + 1620TIP3 OH254914 3.163 -2.598 4.268 + 1620TIP3 H154915 3.146 -2.591 4.364 + 1620TIP3 H254916 3.253 -2.563 4.265 + 1620TIP3 OH254917 3.070 -3.199 3.614 + 1620TIP3 H154918 3.159 -3.159 3.625 + 1620TIP3 H254919 3.069 -3.259 3.691 + 1620TIP3 OH254920 3.115 -3.401 3.813 + 1620TIP3 H154921 3.052 -3.460 3.859 + 1620TIP3 H254922 3.185 -3.389 3.880 + 1620TIP3 OH254923 3.100 -3.173 4.325 + 1620TIP3 H154924 3.171 -3.216 4.275 + 1620TIP3 H254925 3.110 -3.080 4.299 + 1620TIP3 OH254926 3.134 -3.456 3.465 + 1620TIP3 H154927 3.084 -3.417 3.392 + 1620TIP3 H254928 3.134 -3.383 3.529 + 1620TIP3 OH254929 2.923 -3.678 3.246 + 1620TIP3 H154930 3.007 -3.643 3.212 + 1620TIP3 H254931 2.938 -3.775 3.243 + 1620TIP3 OH254932 2.894 -3.593 3.879 + 1620TIP3 H154933 2.898 -3.689 3.878 + 1620TIP3 H254934 2.868 -3.575 3.971 + 1620TIP3 OH254935 1.397 -3.410 4.259 + 1620TIP3 H154936 1.431 -3.370 4.177 + 1620TIP3 H254937 1.473 -3.402 4.319 + 1621TIP3 OH254938 2.907 -3.961 3.223 + 1621TIP3 H154939 2.971 -4.016 3.272 + 1621TIP3 H254940 2.833 -4.022 3.210 + 1621TIP3 OH254941 2.844 -3.824 3.687 + 1621TIP3 H154942 2.881 -3.915 3.693 + 1621TIP3 H254943 2.922 -3.774 3.658 + 1621TIP3 OH254944 2.916 -3.773 4.219 + 1621TIP3 H154945 3.012 -3.773 4.234 + 1621TIP3 H254946 2.881 -3.786 4.309 + 1621TIP3 OH254947 2.920 -4.086 3.722 + 1621TIP3 H154948 2.951 -4.134 3.800 + 1621TIP3 H254949 2.869 -4.155 3.676 + 1621TIP3 OH254950 1.474 -3.981 4.188 + 1621TIP3 H154951 1.486 -4.079 4.197 + 1621TIP3 H254952 1.531 -3.951 4.259 + 1621TIP3 OH254953 1.309 -3.698 4.302 + 1621TIP3 H154954 1.351 -3.734 4.223 + 1621TIP3 H254955 1.336 -3.604 4.297 + 1621TIP3 OH254956 3.138 -4.054 3.377 + 1621TIP3 H154957 3.153 -4.141 3.335 + 1621TIP3 H254958 3.227 -4.017 3.382 + 1621TIP3 OH254959 1.369 -4.103 3.691 + 1621TIP3 H154960 1.274 -4.095 3.672 + 1621TIP3 H254961 1.409 -4.034 3.634 + 1621TIP3 OH254962 2.828 -2.573 3.897 + 1621TIP3 H154963 2.884 -2.594 3.821 + 1621TIP3 H254964 2.890 -2.531 3.958 + 1621TIP3 OH254965 1.531 -2.662 4.262 + 1621TIP3 H154966 1.565 -2.660 4.354 + 1621TIP3 H254967 1.614 -2.681 4.214 + 1622TIP3 OH254968 1.753 -2.752 4.115 + 1622TIP3 H154969 1.740 -2.845 4.143 + 1622TIP3 H254970 1.844 -2.734 4.147 + 1622TIP3 OH254971 2.020 -2.703 4.213 + 1622TIP3 H154972 2.052 -2.790 4.185 + 1622TIP3 H254973 2.033 -2.709 4.309 + 1622TIP3 OH254974 2.355 -4.108 4.125 + 1622TIP3 H154975 2.293 -4.177 4.154 + 1622TIP3 H254976 2.421 -4.161 4.076 + 1622TIP3 OH254977 2.889 -4.346 4.154 + 1622TIP3 H154978 2.941 -4.281 4.107 + 1622TIP3 H254979 2.800 -4.311 4.159 + 1622TIP3 OH254980 3.075 -4.218 3.952 + 1622TIP3 H154981 3.139 -4.246 3.886 + 1622TIP3 H254982 3.103 -4.126 3.970 + 1622TIP3 OH254983 1.593 -4.284 3.863 + 1622TIP3 H154984 1.501 -4.305 3.845 + 1622TIP3 H254985 1.627 -4.369 3.895 + 1622TIP3 OH254986 1.454 -4.290 3.488 + 1622TIP3 H154987 1.497 -4.241 3.416 + 1622TIP3 H254988 1.413 -4.218 3.539 + 1622TIP3 OH254989 2.043 -4.238 3.882 + 1622TIP3 H154990 2.140 -4.234 3.873 + 1622TIP3 H254991 2.033 -4.287 3.965 + 1622TIP3 OH254992 2.574 -4.268 4.011 + 1622TIP3 H154993 2.638 -4.276 3.940 + 1622TIP3 H254994 2.595 -4.345 4.068 + 1622TIP3 OH254995 2.707 -4.271 3.620 + 1622TIP3 H154996 2.626 -4.222 3.600 + 1622TIP3 H254997 2.675 -4.362 3.629 + 1623TIP3 OH254998 1.496 -2.697 3.592 + 1623TIP3 H154999 1.431 -2.707 3.521 + 1623TIP3 H255000 1.493 -2.601 3.603 + 1623TIP3 OH255001 1.643 -4.125 3.329 + 1623TIP3 H155002 1.714 -4.161 3.272 + 1623TIP3 H255003 1.695 -4.072 3.392 + 1623TIP3 OH255004 2.186 -4.050 3.566 + 1623TIP3 H155005 2.184 -4.141 3.604 + 1623TIP3 H255006 2.147 -3.996 3.635 + 1623TIP3 OH255007 2.362 -2.513 3.405 + 1623TIP3 H155008 2.459 -2.511 3.399 + 1623TIP3 H255009 2.342 -2.579 3.336 + 1623TIP3 OH255010 3.020 -2.611 3.651 + 1623TIP3 H155011 2.988 -2.691 3.606 + 1623TIP3 H255012 3.004 -2.543 3.582 + 1623TIP3 OH255013 1.637 -2.604 3.273 + 1623TIP3 H155014 1.614 -2.573 3.362 + 1623TIP3 H255015 1.717 -2.655 3.288 + 1623TIP3 OH255016 4.266 -3.443 4.211 + 1623TIP3 H155017 4.253 -3.490 4.295 + 1623TIP3 H255018 4.223 -3.501 4.147 + 1623TIP3 OH255019 3.584 -3.007 4.243 + 1623TIP3 H155020 3.558 -3.099 4.223 + 1623TIP3 H255021 3.680 -3.021 4.253 + 1623TIP3 OH255022 3.278 -3.665 3.779 + 1623TIP3 H155023 3.245 -3.574 3.790 + 1623TIP3 H255024 3.205 -3.707 3.731 + 1623TIP3 OH255025 3.352 -3.426 3.966 + 1623TIP3 H155026 3.376 -3.496 4.030 + 1623TIP3 H255027 3.439 -3.403 3.931 + 1624TIP3 OH255028 4.063 -3.227 4.282 + 1624TIP3 H155029 4.115 -3.272 4.214 + 1624TIP3 H255030 4.136 -3.179 4.327 + 1624TIP3 OH255031 3.734 -3.941 4.041 + 1624TIP3 H155032 3.754 -3.856 3.999 + 1624TIP3 H255033 3.702 -3.991 3.963 + 1624TIP3 OH255034 3.433 -3.674 4.100 + 1624TIP3 H155035 3.477 -3.737 4.157 + 1624TIP3 H255036 3.437 -3.719 4.014 + 1624TIP3 OH255037 3.944 -3.533 4.054 + 1624TIP3 H155038 4.016 -3.593 4.081 + 1624TIP3 H255039 3.895 -3.590 3.993 + 1624TIP3 OH255040 3.657 -3.852 4.297 + 1624TIP3 H155041 3.650 -3.757 4.281 + 1624TIP3 H255042 3.659 -3.891 4.207 + 1624TIP3 OH255043 3.341 -3.112 3.628 + 1624TIP3 H155044 3.330 -3.062 3.544 + 1624TIP3 H255045 3.362 -3.041 3.693 + 1624TIP3 OH255046 4.022 4.378 4.162 + 1624TIP3 H155047 4.041 4.288 4.193 + 1624TIP3 H255048 3.959 4.411 4.229 + 1624TIP3 OH255049 4.259 -3.431 3.630 + 1624TIP3 H155050 4.197 -3.357 3.614 + 1624TIP3 H255051 4.333 -3.408 3.575 + 1624TIP3 OH255052 4.288 -3.581 3.348 + 1624TIP3 H155053 4.365 -3.584 3.407 + 1624TIP3 H255054 4.298 -3.660 3.295 + 1624TIP3 OH255055 3.757 -3.337 3.928 + 1624TIP3 H155056 3.725 -3.380 3.847 + 1624TIP3 H255057 3.820 -3.401 3.963 + 1625TIP3 OH255058 3.856 -3.025 4.157 + 1625TIP3 H155059 3.889 -3.060 4.074 + 1625TIP3 H255060 3.936 -3.015 4.211 + 1625TIP3 OH255061 3.788 -3.472 4.280 + 1625TIP3 H155062 3.849 -3.461 4.205 + 1625TIP3 H255063 3.812 -3.399 4.339 + 1625TIP3 OH255064 4.253 -2.813 3.845 + 1625TIP3 H155065 4.300 -2.764 3.914 + 1625TIP3 H255066 4.201 -2.743 3.803 + 1625TIP3 OH255067 3.651 -3.463 3.681 + 1625TIP3 H155068 3.632 -3.386 3.624 + 1625TIP3 H255069 3.584 -3.526 3.652 + 1625TIP3 OH255070 3.269 -2.920 4.237 + 1625TIP3 H155071 3.365 -2.920 4.246 + 1625TIP3 H255072 3.245 -2.836 4.280 + 1625TIP3 OH255073 4.188 -2.539 3.699 + 1625TIP3 H155074 4.203 -2.532 3.603 + 1625TIP3 H255075 4.205 -2.450 3.731 + 1625TIP3 OH255076 3.574 -2.628 3.860 + 1625TIP3 H155077 3.590 -2.671 3.947 + 1625TIP3 H255078 3.485 -2.661 3.840 + 1625TIP3 OH255079 3.767 -4.210 4.304 + 1625TIP3 H155080 3.705 -4.218 4.231 + 1625TIP3 H255081 3.792 -4.116 4.305 + 1625TIP3 OH255082 4.226 -3.990 3.349 + 1625TIP3 H155083 4.160 -4.003 3.419 + 1625TIP3 H255084 4.191 -4.052 3.282 + 1625TIP3 OH255085 3.777 -3.707 3.885 + 1625TIP3 H155086 3.681 -3.713 3.868 + 1625TIP3 H255087 3.812 -3.725 3.795 + 1626TIP3 OH255088 4.274 -3.668 3.813 + 1626TIP3 H155089 4.270 -3.578 3.777 + 1626TIP3 H255090 4.329 -3.715 3.751 + 1626TIP3 OH255091 3.860 -3.935 3.238 + 1626TIP3 H155092 3.821 -3.978 3.316 + 1626TIP3 H255093 3.785 -3.926 3.178 + 1626TIP3 OH255094 3.197 -3.958 3.945 + 1626TIP3 H155095 3.254 -3.955 4.023 + 1626TIP3 H255096 3.255 -3.992 3.876 + 1626TIP3 OH255097 3.357 -3.913 3.515 + 1626TIP3 H155098 3.411 -3.863 3.450 + 1626TIP3 H255099 3.289 -3.846 3.535 + 1626TIP3 OH255100 4.044 -3.961 3.982 + 1626TIP3 H155101 3.952 -3.963 4.013 + 1626TIP3 H255102 4.093 -3.968 4.066 + 1626TIP3 OH255103 3.507 -3.827 3.854 + 1626TIP3 H155104 3.427 -3.797 3.808 + 1626TIP3 H255105 3.535 -3.907 3.805 + 1626TIP3 OH255106 3.867 -3.790 3.622 + 1626TIP3 H155107 3.964 -3.788 3.626 + 1626TIP3 H255108 3.845 -3.731 3.548 + 1626TIP3 OH255109 3.721 -3.669 3.396 + 1626TIP3 H155110 3.663 -3.696 3.324 + 1626TIP3 H255111 3.804 -3.652 3.348 + 1626TIP3 OH255112 4.131 -3.713 4.152 + 1626TIP3 H155113 4.196 -3.757 4.096 + 1626TIP3 H255114 4.150 -3.753 4.239 + 1626TIP3 OH255115 3.668 -4.066 3.792 + 1626TIP3 H155116 3.624 -4.152 3.803 + 1626TIP3 H255117 3.752 -4.091 3.750 + 1627TIP3 OH255118 4.073 -3.224 3.586 + 1627TIP3 H155119 3.994 -3.269 3.549 + 1627TIP3 H255120 4.050 -3.215 3.681 + 1627TIP3 OH255121 3.560 -3.307 4.170 + 1627TIP3 H155122 3.625 -3.287 4.100 + 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1662TIP3 H256170 0.730 -1.969 3.421 + 1662TIP3 OH256171 0.778 -1.859 3.561 + 1662TIP3 H156172 0.864 -1.875 3.604 + 1662TIP3 H256173 0.790 -1.770 3.523 + 1662TIP3 OH256174 -0.205 -1.410 4.174 + 1662TIP3 H156175 -0.146 -1.402 4.097 + 1662TIP3 H256176 -0.156 -1.478 4.224 + 1662TIP3 OH256177 0.533 -1.187 3.472 + 1662TIP3 H156178 0.509 -1.102 3.514 + 1662TIP3 H256179 0.459 -1.243 3.501 + 1662TIP3 OH256180 1.237 -1.861 3.538 + 1662TIP3 H156181 1.180 -1.878 3.460 + 1662TIP3 H256182 1.249 -1.765 3.526 + 1662TIP3 OH256183 1.056 -0.997 3.548 + 1662TIP3 H156184 1.034 -1.074 3.602 + 1662TIP3 H256185 1.111 -1.036 3.478 + 1662TIP3 OH256186 0.739 -1.459 4.259 + 1662TIP3 H156187 0.649 -1.499 4.269 + 1662TIP3 H256188 0.783 -1.529 4.207 + 1662TIP3 OH256189 0.043 -1.058 3.869 + 1662TIP3 H156190 0.092 -0.975 3.877 + 1662TIP3 H256191 -0.047 -1.026 3.858 + 1662TIP3 OH256192 -0.356 -1.577 3.352 + 1662TIP3 H156193 -0.297 -1.509 3.390 + 1662TIP3 H256194 -0.444 -1.547 3.381 + 1662TIP3 OH256195 0.228 -1.286 3.857 + 1662TIP3 H156196 0.190 -1.196 3.861 + 1662TIP3 H256197 0.157 -1.339 3.895 + 1663TIP3 OH256198 0.090 -0.765 3.817 + 1663TIP3 H156199 -0.005 -0.751 3.811 + 1663TIP3 H256200 0.123 -0.676 3.840 + 1663TIP3 OH256201 0.803 -1.155 3.337 + 1663TIP3 H156202 0.845 -1.202 3.411 + 1663TIP3 H256203 0.710 -1.170 3.361 + 1663TIP3 OH256204 1.276 -0.730 3.391 + 1663TIP3 H156205 1.346 -0.665 3.369 + 1663TIP3 H256206 1.199 -0.670 3.389 + 1663TIP3 OH256207 0.899 -1.294 3.574 + 1663TIP3 H156208 0.871 -1.366 3.634 + 1663TIP3 H256209 0.996 -1.297 3.584 + 1663TIP3 OH256210 0.226 -1.050 3.195 + 1663TIP3 H156211 0.255 -1.126 3.142 + 1663TIP3 H256212 0.184 -1.094 3.271 + 1663TIP3 OH256213 0.106 -1.101 3.470 + 1663TIP3 H156214 0.164 -1.155 3.526 + 1663TIP3 H256215 0.126 -1.010 3.500 + 1663TIP3 OH256216 -0.211 -1.353 3.503 + 1663TIP3 H156217 -0.273 -1.312 3.565 + 1663TIP3 H256218 -0.157 -1.277 3.475 + 1663TIP3 OH256219 0.628 -2.165 3.634 + 1663TIP3 H156220 0.644 -2.108 3.557 + 1663TIP3 H256221 0.670 -2.114 3.705 + 1663TIP3 OH256222 0.406 -0.935 3.529 + 1663TIP3 H156223 0.324 -0.885 3.543 + 1663TIP3 H256224 0.442 -0.892 3.450 + 1663TIP3 OH256225 0.366 -1.964 3.727 + 1663TIP3 H156226 0.443 -1.905 3.742 + 1663TIP3 H256227 0.337 -1.982 3.819 + 1664TIP3 OH256228 0.421 -2.263 3.818 + 1664TIP3 H156229 0.412 -2.202 3.893 + 1664TIP3 H256230 0.498 -2.224 3.772 + 1664TIP3 OH256231 0.122 -0.828 3.528 + 1664TIP3 H156232 0.119 -0.747 3.473 + 1664TIP3 H256233 0.117 -0.793 3.618 + 1664TIP3 OH256234 -0.002 -2.163 3.476 + 1664TIP3 H156235 0.001 -2.085 3.534 + 1664TIP3 H256236 0.080 -2.209 3.502 + 1664TIP3 OH256237 0.878 -1.690 4.127 + 1664TIP3 H156238 0.789 -1.730 4.112 + 1664TIP3 H256239 0.923 -1.766 4.170 + 1664TIP3 OH256240 -0.164 -1.074 3.385 + 1664TIP3 H156241 -0.086 -1.030 3.422 + 1664TIP3 H256242 -0.120 -1.123 3.314 + 1664TIP3 OH256243 -0.349 -1.858 3.297 + 1664TIP3 H156244 -0.337 -1.763 3.317 + 1664TIP3 H256245 -0.430 -1.858 3.246 + 1664TIP3 OH256246 1.007 -0.702 4.313 + 1664TIP3 H156247 0.942 -0.725 4.245 + 1664TIP3 H256248 1.088 -0.745 4.285 + 1664TIP3 OH256249 -0.261 -2.354 4.172 + 1664TIP3 H156250 -0.273 -2.351 4.074 + 1664TIP3 H256251 -0.292 -2.443 4.194 + 1664TIP3 OH256252 0.449 -0.881 3.246 + 1664TIP3 H156253 0.374 -0.944 3.233 + 1664TIP3 H256254 0.521 -0.934 3.207 + 1664TIP3 OH256255 0.912 -0.889 3.256 + 1664TIP3 H156256 0.926 -0.971 3.306 + 1664TIP3 H256257 0.991 -0.887 3.199 + 1665TIP3 OH256258 -0.010 -1.306 3.229 + 1665TIP3 H156259 0.009 -1.368 3.302 + 1665TIP3 H256260 0.075 -1.310 3.180 + 1665TIP3 OH256261 0.513 -1.175 3.189 + 1665TIP3 H156262 0.512 -1.180 3.286 + 1665TIP3 H256263 0.510 -1.270 3.167 + 1665TIP3 OH256264 0.098 -1.499 3.462 + 1665TIP3 H156265 0.041 -1.554 3.517 + 1665TIP3 H256266 0.131 -1.564 3.397 + 1665TIP3 OH256267 0.195 -1.695 3.288 + 1665TIP3 H156268 0.190 -1.692 3.191 + 1665TIP3 H256269 0.292 -1.701 3.302 + 1665TIP3 OH256270 1.147 -1.446 3.219 + 1665TIP3 H156271 1.136 -1.488 3.133 + 1665TIP3 H256272 1.135 -1.351 3.195 + 1665TIP3 OH256273 0.171 -0.574 3.396 + 1665TIP3 H156274 0.266 -0.564 3.409 + 1665TIP3 H256275 0.160 -0.530 3.311 + 1665TIP3 OH256276 -0.437 -1.133 3.361 + 1665TIP3 H156277 -0.340 -1.118 3.363 + 1665TIP3 H256278 -0.443 -1.211 3.302 + 1665TIP3 OH256279 -0.527 -0.642 3.806 + 1665TIP3 H156280 -0.621 -0.640 3.782 + 1665TIP3 H256281 -0.530 -0.680 3.896 + 1665TIP3 OH256282 -0.489 -0.827 4.012 + 1665TIP3 H156283 -0.519 -0.912 4.050 + 1665TIP3 H256284 -0.463 -0.784 4.096 + 1665TIP3 OH256285 1.284 -0.667 4.273 + 1665TIP3 H156286 1.262 -0.685 4.366 + 1665TIP3 H256287 1.380 -0.675 4.276 + 1666TIP3 OH256288 1.186 -1.309 3.613 + 1666TIP3 H156289 1.276 -1.277 3.630 + 1666TIP3 H256290 1.176 -1.372 3.686 + 1666TIP3 OH256291 1.235 -1.515 3.812 + 1666TIP3 H156292 1.165 -1.569 3.854 + 1666TIP3 H256293 1.300 -1.504 3.885 + 1666TIP3 OH256294 1.208 -1.279 4.331 + 1666TIP3 H156295 1.265 -1.332 4.275 + 1666TIP3 H256296 1.210 -1.193 4.287 + 1666TIP3 OH256297 1.258 -1.568 3.468 + 1666TIP3 H156298 1.206 -1.540 3.391 + 1666TIP3 H256299 1.244 -1.494 3.529 + 1666TIP3 OH256300 1.085 -1.813 3.295 + 1666TIP3 H156301 1.109 -1.753 3.223 + 1666TIP3 H256302 1.060 -1.894 3.247 + 1666TIP3 OH256303 1.026 -1.700 3.893 + 1666TIP3 H156304 1.017 -1.795 3.876 + 1666TIP3 H256305 0.983 -1.690 3.980 + 1666TIP3 OH256306 -0.492 -1.505 4.263 + 1666TIP3 H156307 -0.452 -1.485 4.177 + 1666TIP3 H256308 -0.413 -1.516 4.319 + 1666TIP3 OH256309 1.032 -2.079 3.214 + 1666TIP3 H156310 1.088 -2.128 3.276 + 1666TIP3 H256311 0.950 -2.131 3.210 + 1666TIP3 OH256312 1.012 -1.949 3.709 + 1666TIP3 H156313 1.035 -2.044 3.716 + 1666TIP3 H256314 1.093 -1.914 3.669 + 1666TIP3 OH256315 1.032 -1.893 4.224 + 1666TIP3 H156316 1.126 -1.879 4.244 + 1666TIP3 H256317 0.986 -1.887 4.309 + 1667TIP3 OH256318 1.060 -2.230 3.706 + 1667TIP3 H156319 1.067 -2.260 3.798 + 1667TIP3 H256320 0.979 -2.277 3.678 + 1667TIP3 OH256321 -0.417 -2.098 4.193 + 1667TIP3 H156322 -0.385 -2.190 4.203 + 1667TIP3 H256323 -0.359 -2.053 4.255 + 1667TIP3 OH256324 -0.578 -1.812 4.302 + 1667TIP3 H156325 -0.533 -1.850 4.225 + 1667TIP3 H256326 -0.548 -1.720 4.297 + 1667TIP3 OH256327 1.255 -2.182 3.374 + 1667TIP3 H156328 1.288 -2.261 3.329 + 1667TIP3 H256329 1.336 -2.129 3.383 + 1667TIP3 OH256330 -0.520 -2.209 3.693 + 1667TIP3 H156331 -0.614 -2.204 3.672 + 1667TIP3 H256332 -0.478 -2.149 3.629 + 1667TIP3 OH256333 0.945 -0.683 3.908 + 1667TIP3 H156334 0.986 -0.708 3.823 + 1667TIP3 H256335 1.018 -0.635 3.949 + 1667TIP3 OH256336 -0.351 -0.776 4.259 + 1667TIP3 H156337 -0.317 -0.774 4.351 + 1667TIP3 H256338 -0.267 -0.799 4.213 + 1667TIP3 OH256339 -0.133 -0.866 4.113 + 1667TIP3 H156340 -0.142 -0.959 4.142 + 1667TIP3 H256341 -0.041 -0.847 4.143 + 1667TIP3 OH256342 0.131 -0.821 4.214 + 1667TIP3 H156343 0.166 -0.906 4.182 + 1667TIP3 H256344 0.149 -0.828 4.308 + 1667TIP3 OH256345 0.469 -2.220 4.123 + 1667TIP3 H156346 0.411 -2.292 4.153 + 1667TIP3 H256347 0.540 -2.269 4.078 + 1668TIP3 OH256348 0.980 -2.409 4.149 + 1668TIP3 H156349 1.047 -2.361 4.097 + 1668TIP3 H256350 0.896 -2.382 4.109 + 1668TIP3 OH256351 1.177 -2.312 3.961 + 1668TIP3 H156352 1.250 -2.352 3.911 + 1668TIP3 H256353 1.208 -2.220 3.974 + 1668TIP3 OH256354 -0.292 -2.357 3.891 + 1668TIP3 H156355 -0.377 -2.369 3.843 + 1668TIP3 H256356 -0.247 -2.441 3.873 + 1668TIP3 OH256357 -0.407 -2.408 3.478 + 1668TIP3 H156358 -0.357 -2.342 3.426 + 1668TIP3 H256359 -0.451 -2.352 3.545 + 1668TIP3 OH256360 0.160 -2.381 3.892 + 1668TIP3 H156361 0.247 -2.342 3.871 + 1668TIP3 H256362 0.166 -2.389 3.988 + 1668TIP3 OH256363 0.709 -2.366 4.007 + 1668TIP3 H156364 0.742 -2.390 3.919 + 1668TIP3 H256365 0.680 -2.451 4.043 + 1668TIP3 OH256366 0.828 -2.369 3.615 + 1668TIP3 H156367 0.747 -2.316 3.606 + 1668TIP3 H256368 0.790 -2.458 3.627 + 1668TIP3 OH256369 -0.239 -2.228 3.324 + 1668TIP3 H156370 -0.177 -2.279 3.268 + 1668TIP3 H256371 -0.178 -2.192 3.391 + 1668TIP3 OH256372 0.269 -2.207 3.585 + 1668TIP3 H156373 0.310 -2.261 3.654 + 1668TIP3 H256374 0.291 -2.119 3.619 + 1668TIP3 OH256375 0.476 -0.628 3.406 + 1668TIP3 H156376 0.573 -0.626 3.401 + 1668TIP3 H256377 0.456 -0.693 3.337 + 1669TIP3 OH256378 1.124 -0.724 3.664 + 1669TIP3 H156379 1.103 -0.809 3.620 + 1669TIP3 H256380 1.125 -0.664 3.589 + 1669TIP3 OH256381 -0.256 -0.723 3.282 + 1669TIP3 H156382 -0.261 -0.679 3.368 + 1669TIP3 H256383 -0.172 -0.772 3.287 + 1669TIP3 OH256384 2.487 -1.484 3.925 + 1669TIP3 H156385 2.496 -1.388 3.930 + 1669TIP3 H256386 2.421 -1.493 3.855 + 1669TIP3 OH256387 2.384 -1.544 4.247 + 1669TIP3 H156388 2.381 -1.621 4.306 + 1669TIP3 H256389 2.377 -1.584 4.159 + 1669TIP3 OH256390 2.741 -1.268 4.038 + 1669TIP3 H156391 2.702 -1.335 4.097 + 1669TIP3 H256392 2.777 -1.209 4.107 + 1669TIP3 OH256393 1.697 -1.121 4.247 + 1669TIP3 H156394 1.672 -1.212 4.224 + 1669TIP3 H256395 1.794 -1.135 4.256 + 1669TIP3 OH256396 1.394 -1.771 3.778 + 1669TIP3 H156397 1.351 -1.684 3.787 + 1669TIP3 H256398 1.323 -1.824 3.741 + 1669TIP3 OH256399 1.470 -1.535 3.977 + 1669TIP3 H156400 1.491 -1.614 4.030 + 1669TIP3 H256401 1.551 -1.525 3.926 + 1669TIP3 OH256402 2.447 -0.728 4.113 + 1669TIP3 H156403 2.510 -0.795 4.082 + 1669TIP3 H256404 2.422 -0.758 4.201 + 1669TIP3 OH256405 2.190 -1.316 4.280 + 1669TIP3 H156406 2.233 -1.382 4.223 + 1669TIP3 H256407 2.271 -1.279 4.320 + 1670TIP3 OH256408 2.537 -1.842 4.322 + 1670TIP3 H156409 2.582 -1.926 4.341 + 1670TIP3 H256410 2.546 -1.833 4.226 + 1670TIP3 OH256411 1.850 -2.053 4.043 + 1670TIP3 H156412 1.867 -1.969 3.997 + 1670TIP3 H256413 1.819 -2.106 3.967 + 1670TIP3 OH256414 2.641 -2.032 3.870 + 1670TIP3 H156415 2.698 -2.076 3.938 + 1670TIP3 H256416 2.709 -1.990 3.815 + 1670TIP3 OH256417 1.551 -1.787 4.100 + 1670TIP3 H156418 1.592 -1.854 4.154 + 1670TIP3 H256419 1.549 -1.831 4.013 + 1670TIP3 OH256420 2.053 -1.646 4.057 + 1670TIP3 H156421 2.130 -1.701 4.083 + 1670TIP3 H256422 2.010 -1.704 3.991 + 1670TIP3 OH256423 2.484 -1.198 3.793 + 1670TIP3 H156424 2.456 -1.217 3.703 + 1670TIP3 H256425 2.441 -1.113 3.811 + 1670TIP3 OH256426 2.820 -2.112 4.072 + 1670TIP3 H156427 2.797 -2.179 4.138 + 1670TIP3 H256428 2.872 -2.051 4.128 + 1670TIP3 OH256429 1.772 -1.963 4.297 + 1670TIP3 H156430 1.759 -1.870 4.276 + 1670TIP3 H256431 1.772 -2.006 4.209 + 1670TIP3 OH256432 1.462 -1.226 3.627 + 1670TIP3 H156433 1.441 -1.176 3.546 + 1670TIP3 H256434 1.478 -1.156 3.693 + 1670TIP3 OH256435 2.814 -1.135 4.258 + 1670TIP3 H156436 2.753 -1.148 4.333 + 1670TIP3 H256437 2.887 -1.089 4.300 + 1671TIP3 OH256438 2.147 -2.415 4.178 + 1671TIP3 H156439 2.143 -2.513 4.182 + 1671TIP3 H256440 2.064 -2.390 4.222 + 1671TIP3 OH256441 2.637 -0.886 3.963 + 1671TIP3 H156442 2.684 -0.967 3.934 + 1671TIP3 H256443 2.705 -0.818 3.945 + 1671TIP3 OH256444 2.782 -1.102 3.821 + 1671TIP3 H156445 2.730 -1.150 3.755 + 1671TIP3 H256446 2.777 -1.164 3.896 + 1671TIP3 OH256447 2.361 -1.528 3.643 + 1671TIP3 H156448 2.296 -1.469 3.602 + 1671TIP3 H256449 2.434 -1.526 3.578 + 1671TIP3 OH256450 2.390 -1.710 3.347 + 1671TIP3 H156451 2.460 -1.679 3.407 + 1671TIP3 H256452 2.441 -1.768 3.289 + 1671TIP3 OH256453 2.710 -1.530 3.750 + 1671TIP3 H156454 2.646 -1.507 3.821 + 1671TIP3 H256455 2.774 -1.585 3.800 + 1671TIP3 OH256456 1.873 -1.448 3.926 + 1671TIP3 H156457 1.837 -1.493 3.846 + 1671TIP3 H256458 1.932 -1.516 3.963 + 1671TIP3 OH256459 1.971 -1.138 4.159 + 1671TIP3 H156460 1.996 -1.172 4.072 + 1671TIP3 H256461 2.055 -1.139 4.207 + 1671TIP3 OH256462 1.891 -1.567 4.272 + 1671TIP3 H156463 1.955 -1.581 4.200 + 1671TIP3 H256464 1.947 -1.540 4.345 + 1671TIP3 OH256465 2.606 -1.582 3.494 + 1671TIP3 H156466 2.654 -1.557 3.576 + 1671TIP3 H256467 2.657 -1.531 3.426 + 1672TIP3 OH256468 2.352 -0.924 3.853 + 1672TIP3 H156469 2.402 -0.892 3.928 + 1672TIP3 H256470 2.304 -0.846 3.823 + 1672TIP3 OH256471 2.946 -2.417 3.453 + 1672TIP3 H156472 2.863 -2.392 3.497 + 1672TIP3 H256473 2.987 -2.330 3.435 + 1672TIP3 OH256474 1.763 -1.576 3.682 + 1672TIP3 H156475 1.743 -1.502 3.623 + 1672TIP3 H256476 1.699 -1.643 3.653 + 1672TIP3 OH256477 3.092 -0.996 3.293 + 1672TIP3 H156478 3.108 -0.903 3.322 + 1672TIP3 H256479 3.177 -1.038 3.318 + 1672TIP3 OH256480 1.384 -1.034 4.238 + 1672TIP3 H156481 1.480 -1.040 4.243 + 1672TIP3 H256482 1.366 -0.953 4.287 + 1672TIP3 OH256483 2.309 -0.653 3.699 + 1672TIP3 H156484 2.309 -0.641 3.603 + 1672TIP3 H256485 2.310 -0.562 3.733 + 1672TIP3 OH256486 1.688 -0.739 3.862 + 1672TIP3 H156487 1.703 -0.785 3.947 + 1672TIP3 H256488 1.605 -0.778 3.833 + 1672TIP3 OH256489 2.637 -0.711 3.416 + 1672TIP3 H156490 2.695 -0.777 3.374 + 1672TIP3 H256491 2.632 -0.747 3.507 + 1672TIP3 OH256492 2.578 -0.767 3.697 + 1672TIP3 H156493 2.483 -0.752 3.713 + 1672TIP3 H256494 2.595 -0.839 3.761 + 1672TIP3 OH256495 1.903 -2.326 4.291 + 1672TIP3 H156496 1.820 -2.337 4.242 + 1672TIP3 H256497 1.908 -2.230 4.306 + 1673TIP3 OH256498 2.763 -1.475 3.295 + 1673TIP3 H156499 2.744 -1.494 3.201 + 1673TIP3 H256500 2.857 -1.453 3.291 + 1673TIP3 OH256501 2.324 -2.097 3.345 + 1673TIP3 H156502 2.277 -2.112 3.428 + 1673TIP3 H256503 2.286 -2.167 3.289 + 1673TIP3 OH256504 1.892 -1.820 3.884 + 1673TIP3 H156505 1.796 -1.829 3.867 + 1673TIP3 H256506 1.927 -1.843 3.795 + 1673TIP3 OH256507 2.450 -1.765 3.763 + 1673TIP3 H156508 2.409 -1.683 3.727 + 1673TIP3 H256509 2.520 -1.782 3.698 + 1673TIP3 OH256510 2.529 -1.824 4.042 + 1673TIP3 H156511 2.502 -1.769 3.967 + 1673TIP3 H256512 2.552 -1.906 3.993 + 1673TIP3 OH256513 1.970 -2.054 3.235 + 1673TIP3 H156514 1.934 -2.089 3.319 + 1673TIP3 H256515 1.890 -2.040 3.182 + 1673TIP3 OH256516 1.319 -2.060 3.942 + 1673TIP3 H156517 1.374 -2.071 4.022 + 1673TIP3 H256518 1.369 -2.107 3.873 + 1673TIP3 OH256519 1.474 -2.023 3.513 + 1673TIP3 H156520 1.528 -1.974 3.448 + 1673TIP3 H256521 1.403 -1.958 3.532 + 1673TIP3 OH256522 2.159 -2.058 3.984 + 1673TIP3 H156523 2.066 -2.069 4.009 + 1673TIP3 H256524 2.205 -2.085 4.065 + 1673TIP3 OH256525 1.623 -1.939 3.854 + 1673TIP3 H156526 1.541 -1.911 3.809 + 1673TIP3 H256527 1.650 -2.017 3.803 + 1674TIP3 OH256528 1.986 -1.906 3.622 + 1674TIP3 H156529 2.083 -1.899 3.626 + 1674TIP3 H256530 1.961 -1.847 3.548 + 1674TIP3 OH256531 2.603 -2.194 4.279 + 1674TIP3 H156532 2.568 -2.163 4.364 + 1674TIP3 H256533 2.526 -2.190 4.220 + 1674TIP3 OH256534 1.832 -1.783 3.399 + 1674TIP3 H156535 1.773 -1.810 3.328 + 1674TIP3 H256536 1.913 -1.762 3.349 + 1674TIP3 OH256537 2.254 -1.822 4.193 + 1674TIP3 H156538 2.326 -1.852 4.134 + 1674TIP3 H256539 2.261 -1.886 4.265 + 1674TIP3 OH256540 1.800 -2.166 3.787 + 1674TIP3 H156541 1.744 -2.245 3.799 + 1674TIP3 H256542 1.878 -2.203 3.744 + 1674TIP3 OH256543 2.177 -1.322 3.582 + 1674TIP3 H156544 2.102 -1.375 3.546 + 1674TIP3 H256545 2.160 -1.322 3.679 + 1674TIP3 OH256546 2.593 -2.042 3.362 + 1674TIP3 H156547 2.495 -2.041 3.357 + 1674TIP3 H256548 2.614 -1.968 3.422 + 1674TIP3 OH256549 2.662 -1.857 3.567 + 1674TIP3 H156550 2.750 -1.875 3.604 + 1674TIP3 H256551 2.676 -1.771 3.523 + 1674TIP3 OH256552 1.680 -1.410 4.176 + 1674TIP3 H156553 1.736 -1.401 4.097 + 1674TIP3 H256554 1.727 -1.482 4.222 + 1674TIP3 OH256555 2.418 -1.187 3.474 + 1674TIP3 H156556 2.392 -1.101 3.513 + 1674TIP3 H256557 2.343 -1.243 3.502 + 1675TIP3 OH256558 3.121 -1.861 3.538 + 1675TIP3 H156559 3.065 -1.880 3.460 + 1675TIP3 H256560 3.133 -1.765 3.525 + 1675TIP3 OH256561 2.933 -1.002 3.540 + 1675TIP3 H156562 2.920 -1.073 3.605 + 1675TIP3 H256563 3.003 -1.036 3.483 + 1675TIP3 OH256564 2.653 -1.446 4.246 + 1675TIP3 H156565 2.565 -1.480 4.270 + 1675TIP3 H256566 2.693 -1.523 4.201 + 1675TIP3 OH256567 1.932 -1.058 3.873 + 1675TIP3 H156568 1.972 -0.969 3.873 + 1675TIP3 H256569 1.838 -1.037 3.864 + 1675TIP3 OH256570 1.530 -1.576 3.351 + 1675TIP3 H156571 1.587 -1.508 3.391 + 1675TIP3 H256572 1.442 -1.550 3.385 + 1675TIP3 OH256573 2.113 -1.287 3.863 + 1675TIP3 H156574 2.080 -1.196 3.862 + 1675TIP3 H256575 2.035 -1.336 3.893 + 1675TIP3 OH256576 1.975 -0.765 3.813 + 1675TIP3 H156577 1.879 -0.750 3.819 + 1675TIP3 H256578 2.010 -0.678 3.839 + 1675TIP3 OH256579 2.686 -1.156 3.336 + 1675TIP3 H156580 2.731 -1.199 3.411 + 1675TIP3 H256581 2.594 -1.171 3.363 + 1675TIP3 OH256582 3.159 -0.729 3.387 + 1675TIP3 H156583 3.231 -0.664 3.373 + 1675TIP3 H256584 3.084 -0.667 3.389 + 1675TIP3 OH256585 2.785 -1.296 3.574 + 1675TIP3 H156586 2.759 -1.367 3.635 + 1675TIP3 H256587 2.882 -1.296 3.584 + 1676TIP3 OH256588 2.112 -1.051 3.193 + 1676TIP3 H156589 2.141 -1.131 3.145 + 1676TIP3 H256590 2.069 -1.090 3.271 + 1676TIP3 OH256591 1.997 -1.099 3.464 + 1676TIP3 H156592 2.047 -1.152 3.527 + 1676TIP3 H256593 2.011 -1.008 3.498 + 1676TIP3 OH256594 1.681 -1.355 3.505 + 1676TIP3 H156595 1.608 -1.317 3.557 + 1676TIP3 H256596 1.727 -1.274 3.477 + 1676TIP3 OH256597 2.510 -2.164 3.632 + 1676TIP3 H156598 2.530 -2.112 3.553 + 1676TIP3 H256599 2.556 -2.113 3.701 + 1676TIP3 OH256600 2.291 -0.938 3.528 + 1676TIP3 H156601 2.210 -0.888 3.546 + 1676TIP3 H256602 2.328 -0.889 3.453 + 1676TIP3 OH256603 2.252 -1.965 3.726 + 1676TIP3 H156604 2.328 -1.906 3.741 + 1676TIP3 H256605 2.222 -1.983 3.817 + 1676TIP3 OH256606 2.308 -2.264 3.819 + 1676TIP3 H156607 2.294 -2.199 3.890 + 1676TIP3 H256608 2.383 -2.224 3.771 + 1676TIP3 OH256609 2.011 -0.829 3.528 + 1676TIP3 H156610 2.005 -0.748 3.474 + 1676TIP3 H256611 1.998 -0.795 3.618 + 1676TIP3 OH256612 1.884 -2.163 3.475 + 1676TIP3 H156613 1.885 -2.086 3.534 + 1676TIP3 H256614 1.966 -2.209 3.503 + 1676TIP3 OH256615 2.760 -1.685 4.141 + 1676TIP3 H156616 2.683 -1.733 4.107 + 1676TIP3 H256617 2.818 -1.759 4.172 + 1677TIP3 OH256618 1.724 -1.074 3.381 + 1677TIP3 H156619 1.797 -1.026 3.421 + 1677TIP3 H256620 1.773 -1.125 3.314 + 1677TIP3 OH256621 1.538 -1.856 3.293 + 1677TIP3 H156622 1.549 -1.762 3.316 + 1677TIP3 H256623 1.451 -1.856 3.252 + 1677TIP3 OH256624 2.894 -0.710 4.317 + 1677TIP3 H156625 2.834 -0.718 4.243 + 1677TIP3 H256626 2.979 -0.739 4.283 + 1677TIP3 OH256627 1.628 -2.356 4.172 + 1677TIP3 H156628 1.612 -2.352 4.075 + 1677TIP3 H256629 1.591 -2.442 4.195 + 1677TIP3 OH256630 1.519 -1.005 3.799 + 1677TIP3 H156631 1.442 -0.952 3.824 + 1677TIP3 H256632 1.557 -0.952 3.728 + 1677TIP3 OH256633 2.334 -0.880 3.242 + 1677TIP3 H156634 2.258 -0.942 3.234 + 1677TIP3 H256635 2.405 -0.937 3.207 + 1677TIP3 OH256636 2.798 -0.891 3.252 + 1677TIP3 H156637 2.812 -0.969 3.310 + 1677TIP3 H256638 2.881 -0.889 3.202 + 1677TIP3 OH256639 1.877 -1.307 3.227 + 1677TIP3 H156640 1.892 -1.366 3.302 + 1677TIP3 H256641 1.963 -1.312 3.182 + 1677TIP3 OH256642 2.400 -1.174 3.188 + 1677TIP3 H156643 2.397 -1.179 3.286 + 1677TIP3 H256644 2.396 -1.270 3.167 + 1677TIP3 OH256645 1.987 -1.499 3.463 + 1677TIP3 H156646 1.924 -1.551 3.516 + 1677TIP3 H256647 2.016 -1.567 3.398 + 1678TIP3 OH256648 2.081 -1.697 3.288 + 1678TIP3 H156649 2.076 -1.691 3.191 + 1678TIP3 H256650 2.177 -1.702 3.302 + 1678TIP3 OH256651 3.033 -1.449 3.216 + 1678TIP3 H156652 3.015 -1.487 3.129 + 1678TIP3 H256653 3.024 -1.353 3.196 + 1678TIP3 OH256654 2.058 -0.576 3.396 + 1678TIP3 H156655 2.153 -0.562 3.409 + 1678TIP3 H256656 2.043 -0.529 3.313 + 1678TIP3 OH256657 1.448 -1.134 3.350 + 1678TIP3 H156658 1.544 -1.116 3.363 + 1678TIP3 H256659 1.450 -1.213 3.292 + 1678TIP3 OH256660 1.351 -0.618 3.821 + 1678TIP3 H156661 1.276 -0.654 3.770 + 1678TIP3 H256662 1.358 -0.684 3.893 + 1678TIP3 OH256663 1.387 -0.816 4.019 + 1678TIP3 H156664 1.361 -0.905 4.048 + 1678TIP3 H256665 1.415 -0.779 4.105 + 1678TIP3 OH256666 3.169 -0.662 4.277 + 1678TIP3 H156667 3.151 -0.687 4.369 + 1678TIP3 H256668 3.265 -0.677 4.273 + 1678TIP3 OH256669 3.075 -1.308 3.613 + 1678TIP3 H156670 3.164 -1.271 3.631 + 1678TIP3 H256671 3.067 -1.371 3.687 + 1678TIP3 OH256672 3.119 -1.514 3.812 + 1678TIP3 H156673 3.052 -1.569 3.855 + 1678TIP3 H256674 3.187 -1.503 3.882 + 1678TIP3 OH256675 3.089 -1.281 4.327 + 1678TIP3 H156676 3.153 -1.335 4.279 + 1678TIP3 H256677 3.101 -1.193 4.288 + 1679TIP3 OH256678 3.143 -1.569 3.469 + 1679TIP3 H156679 3.092 -1.540 3.391 + 1679TIP3 H256680 3.130 -1.493 3.529 + 1679TIP3 OH256681 2.968 -1.808 3.296 + 1679TIP3 H156682 2.996 -1.758 3.218 + 1679TIP3 H256683 2.943 -1.895 3.257 + 1679TIP3 OH256684 2.905 -1.699 3.892 + 1679TIP3 H156685 2.903 -1.795 3.878 + 1679TIP3 H256686 2.873 -1.690 3.983 + 1679TIP3 OH256687 1.396 -1.523 4.263 + 1679TIP3 H156688 1.429 -1.488 4.179 + 1679TIP3 H256689 1.475 -1.515 4.320 + 1679TIP3 OH256690 2.910 -2.072 3.234 + 1679TIP3 H156691 2.984 -2.135 3.241 + 1679TIP3 H256692 2.842 -2.128 3.194 + 1679TIP3 OH256693 2.897 -1.950 3.712 + 1679TIP3 H156694 2.922 -2.045 3.715 + 1679TIP3 H256695 2.977 -1.914 3.669 + 1679TIP3 OH256696 2.919 -1.884 4.219 + 1679TIP3 H156697 3.015 -1.885 4.234 + 1679TIP3 H256698 2.884 -1.899 4.308 + 1679TIP3 OH256699 2.943 -2.227 3.709 + 1679TIP3 H156700 2.956 -2.261 3.799 + 1679TIP3 H256701 2.864 -2.277 3.680 + 1679TIP3 OH256702 1.470 -2.099 4.192 + 1679TIP3 H156703 1.498 -2.191 4.203 + 1679TIP3 H256704 1.527 -2.055 4.255 + 1679TIP3 OH256705 1.313 -1.812 4.302 + 1679TIP3 H156706 1.350 -1.847 4.220 + 1679TIP3 H256707 1.337 -1.717 4.295 + 1680TIP3 OH256708 3.155 -2.206 3.375 + 1680TIP3 H156709 3.161 -2.255 3.290 + 1680TIP3 H256710 3.228 -2.144 3.366 + 1680TIP3 OH256711 1.366 -2.211 3.692 + 1680TIP3 H156712 1.271 -2.204 3.673 + 1680TIP3 H256713 1.406 -2.148 3.628 + 1680TIP3 OH256714 2.831 -0.683 3.908 + 1680TIP3 H156715 2.873 -0.709 3.823 + 1680TIP3 H256716 2.904 -0.636 3.949 + 1680TIP3 OH256717 1.531 -0.780 4.262 + 1680TIP3 H156718 1.568 -0.775 4.353 + 1680TIP3 H256719 1.613 -0.798 4.213 + 1680TIP3 OH256720 1.752 -0.865 4.116 + 1680TIP3 H156721 1.742 -0.959 4.142 + 1680TIP3 H256722 1.844 -0.848 4.146 + 1680TIP3 OH256723 2.019 -0.818 4.213 + 1680TIP3 H156724 2.053 -0.904 4.183 + 1680TIP3 H256725 2.033 -0.825 4.308 + 1680TIP3 OH256726 2.356 -2.218 4.128 + 1680TIP3 H156727 2.296 -2.290 4.154 + 1680TIP3 H256728 2.424 -2.266 4.077 + 1680TIP3 OH256729 2.855 -2.403 4.136 + 1680TIP3 H156730 2.921 -2.357 4.082 + 1680TIP3 H256731 2.771 -2.381 4.092 + 1680TIP3 OH256732 3.060 -2.312 3.960 + 1680TIP3 H156733 3.134 -2.354 3.912 + 1680TIP3 H256734 3.095 -2.221 3.973 + 1680TIP3 OH256735 1.595 -2.356 3.889 + 1680TIP3 H156736 1.509 -2.369 3.843 + 1680TIP3 H256737 1.638 -2.441 3.873 + 1681TIP3 OH256738 1.478 -2.407 3.477 + 1681TIP3 H156739 1.527 -2.341 3.426 + 1681TIP3 H256740 1.435 -2.353 3.545 + 1681TIP3 OH256741 2.046 -2.381 3.891 + 1681TIP3 H156742 2.134 -2.344 3.872 + 1681TIP3 H256743 2.049 -2.389 3.987 + 1681TIP3 OH256744 2.595 -2.366 4.005 + 1681TIP3 H156745 2.623 -2.391 3.916 + 1681TIP3 H256746 2.563 -2.451 4.040 + 1681TIP3 OH256747 2.711 -2.369 3.619 + 1681TIP3 H156748 2.630 -2.317 3.603 + 1681TIP3 H256749 2.675 -2.459 3.625 + 1681TIP3 OH256750 1.495 -0.811 3.593 + 1681TIP3 H156751 1.431 -0.823 3.521 + 1681TIP3 H256752 1.493 -0.715 3.603 + 1681TIP3 OH256753 1.647 -2.226 3.321 + 1681TIP3 H156754 1.709 -2.280 3.269 + 1681TIP3 H256755 1.706 -2.191 3.391 + 1681TIP3 OH256756 2.155 -2.208 3.584 + 1681TIP3 H156757 2.195 -2.262 3.655 + 1681TIP3 H256758 2.176 -2.119 3.618 + 1681TIP3 OH256759 2.362 -0.627 3.404 + 1681TIP3 H156760 2.459 -0.627 3.401 + 1681TIP3 H256761 2.342 -0.694 3.336 + 1681TIP3 OH256762 3.007 -0.723 3.664 + 1681TIP3 H156763 2.991 -0.808 3.620 + 1681TIP3 H256764 3.012 -0.663 3.589 + 1681TIP3 OH256765 1.638 -0.716 3.273 + 1681TIP3 H156766 1.614 -0.688 3.362 + 1681TIP3 H256767 1.715 -0.772 3.288 + 1682TIP3 OH256768 4.290 -1.528 4.228 + 1682TIP3 H156769 4.267 -1.586 4.303 + 1682TIP3 H256770 4.262 -1.583 4.151 + 1682TIP3 OH256771 3.579 -1.119 4.240 + 1682TIP3 H156772 3.561 -1.213 4.224 + 1682TIP3 H256773 3.674 -1.125 4.261 + 1682TIP3 OH256774 3.280 -1.775 3.777 + 1682TIP3 H156775 3.241 -1.686 3.788 + 1682TIP3 H256776 3.207 -1.823 3.736 + 1682TIP3 OH256777 3.353 -1.539 3.972 + 1682TIP3 H156778 3.378 -1.613 4.030 + 1682TIP3 H256779 3.438 -1.518 3.932 + 1682TIP3 OH256780 4.059 -1.314 4.278 + 1682TIP3 H156781 4.101 -1.380 4.221 + 1682TIP3 H256782 4.135 -1.280 4.329 + 1682TIP3 OH256783 3.742 -2.056 4.040 + 1682TIP3 H156784 3.755 -1.968 4.000 + 1682TIP3 H256785 3.705 -2.104 3.963 + 1682TIP3 OH256786 3.430 -1.789 4.100 + 1682TIP3 H156787 3.480 -1.850 4.154 + 1682TIP3 H256788 3.434 -1.832 4.013 + 1682TIP3 OH256789 3.936 -1.646 4.065 + 1682TIP3 H156790 4.021 -1.694 4.077 + 1682TIP3 H256791 3.896 -1.702 3.995 + 1682TIP3 OH256792 3.667 -1.961 4.300 + 1682TIP3 H156793 3.644 -1.870 4.281 + 1682TIP3 H256794 3.655 -2.007 4.214 + 1682TIP3 OH256795 3.346 -1.212 3.635 + 1682TIP3 H156796 3.331 -1.163 3.553 + 1682TIP3 H256797 3.373 -1.140 3.697 + 1683TIP3 OH256798 4.036 -2.416 4.176 + 1683TIP3 H156799 4.025 -2.512 4.183 + 1683TIP3 H256800 3.955 -2.384 4.220 + 1683TIP3 OH256801 4.287 -1.692 3.343 + 1683TIP3 H156802 4.350 -1.696 3.417 + 1683TIP3 H256803 4.294 -1.780 3.304 + 1683TIP3 OH256804 3.761 -1.448 3.925 + 1683TIP3 H156805 3.726 -1.495 3.847 + 1683TIP3 H256806 3.819 -1.514 3.966 + 1683TIP3 OH256807 3.878 -1.120 4.161 + 1683TIP3 H156808 3.879 -1.158 4.072 + 1683TIP3 H256809 3.951 -1.167 4.203 + 1683TIP3 OH256810 3.770 -1.582 4.274 + 1683TIP3 H156811 3.838 -1.589 4.204 + 1683TIP3 H256812 3.821 -1.546 4.348 + 1683TIP3 OH256813 4.259 -0.929 3.848 + 1683TIP3 H156814 4.301 -0.868 3.911 + 1683TIP3 H256815 4.205 -0.868 3.796 + 1683TIP3 OH256816 3.652 -1.580 3.679 + 1683TIP3 H156817 3.631 -1.502 3.625 + 1683TIP3 H256818 3.581 -1.641 3.653 + 1683TIP3 OH256819 3.269 -1.033 4.238 + 1683TIP3 H156820 3.365 -1.044 4.240 + 1683TIP3 H256821 3.257 -0.950 4.286 + 1683TIP3 OH256822 4.205 -0.654 3.706 + 1683TIP3 H156823 4.196 -0.651 3.610 + 1683TIP3 H256824 4.208 -0.561 3.732 + 1683TIP3 OH256825 3.792 -2.325 4.290 + 1683TIP3 H156826 3.706 -2.337 4.244 + 1683TIP3 H256827 3.793 -2.230 4.309 + 1684TIP3 OH256828 4.231 -2.094 3.346 + 1684TIP3 H156829 4.174 -2.106 3.423 + 1684TIP3 H256830 4.197 -2.162 3.286 + 1684TIP3 OH256831 3.776 -1.822 3.884 + 1684TIP3 H156832 3.681 -1.829 3.868 + 1684TIP3 H256833 3.811 -1.840 3.795 + 1684TIP3 OH256834 3.864 -2.055 3.234 + 1684TIP3 H156835 3.823 -2.088 3.317 + 1684TIP3 H256836 3.785 -2.038 3.180 + 1684TIP3 OH256837 3.200 -2.066 3.945 + 1684TIP3 H156838 3.261 -2.069 4.021 + 1684TIP3 H256839 3.252 -2.104 3.872 + 1684TIP3 OH256840 3.361 -2.022 3.514 + 1684TIP3 H156841 3.412 -1.975 3.446 + 1684TIP3 H256842 3.287 -1.962 3.529 + 1684TIP3 OH256843 4.046 -2.075 3.981 + 1684TIP3 H156844 3.952 -2.071 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0.991 3.924 + 1717TIP3 H257829 0.420 1.043 3.822 + 1717TIP3 OH257830 1.066 -0.524 3.443 + 1717TIP3 H157831 0.979 -0.515 3.486 + 1717TIP3 H257832 1.102 -0.434 3.449 + 1717TIP3 OH257833 -0.121 0.328 3.714 + 1717TIP3 H157834 -0.132 0.398 3.648 + 1717TIP3 H257835 -0.166 0.254 3.673 + 1717TIP3 OH257836 1.204 0.889 3.298 + 1717TIP3 H157837 1.220 0.982 3.322 + 1717TIP3 H257838 1.291 0.848 3.317 + 1717TIP3 OH257839 -0.501 0.857 4.239 + 1717TIP3 H157840 -0.406 0.858 4.254 + 1717TIP3 H257841 -0.532 0.940 4.280 + 1717TIP3 OH257842 0.424 1.231 3.699 + 1717TIP3 H157843 0.424 1.242 3.602 + 1717TIP3 H257844 0.425 1.323 3.730 + 1717TIP3 OH257845 -0.198 1.138 3.858 + 1717TIP3 H157846 -0.182 1.103 3.948 + 1717TIP3 H257847 -0.286 1.103 3.840 + 1718TIP3 OH257848 0.755 1.177 3.419 + 1718TIP3 H157849 0.811 1.111 3.373 + 1718TIP3 H257850 0.748 1.137 3.508 + 1718TIP3 OH257851 0.692 1.117 3.697 + 1718TIP3 H157852 0.597 1.134 3.712 + 1718TIP3 H257853 0.709 1.046 3.761 + 1718TIP3 OH257854 0.018 -0.438 4.292 + 1718TIP3 H157855 -0.065 -0.451 4.242 + 1718TIP3 H257856 0.019 -0.343 4.308 + 1718TIP3 OH257857 0.877 0.409 3.296 + 1718TIP3 H157858 0.857 0.392 3.201 + 1718TIP3 H257859 0.971 0.433 3.290 + 1718TIP3 OH257860 0.439 -0.212 3.345 + 1718TIP3 H157861 0.393 -0.229 3.428 + 1718TIP3 H257862 0.401 -0.282 3.288 + 1718TIP3 OH257863 0.015 0.077 3.905 + 1718TIP3 H157864 -0.077 0.077 3.877 + 1718TIP3 H257865 0.060 0.062 3.820 + 1718TIP3 OH257866 0.565 0.125 3.766 + 1718TIP3 H157867 0.521 0.201 3.722 + 1718TIP3 H257868 0.635 0.104 3.701 + 1718TIP3 OH257869 0.642 0.067 4.041 + 1718TIP3 H157870 0.616 0.112 3.957 + 1718TIP3 H257871 0.665 -0.021 4.003 + 1718TIP3 OH257872 0.083 -0.161 3.238 + 1718TIP3 H157873 0.047 -0.204 3.318 + 1718TIP3 H257874 0.006 -0.157 3.180 + 1718TIP3 OH257875 -0.561 -0.169 3.941 + 1718TIP3 H157876 -0.510 -0.185 4.022 + 1718TIP3 H257877 -0.515 -0.221 3.874 + 1719TIP3 OH257878 -0.413 -0.139 3.514 + 1719TIP3 H157879 -0.357 -0.091 3.449 + 1719TIP3 H257880 -0.482 -0.073 3.531 + 1719TIP3 OH257881 0.275 -0.169 3.987 + 1719TIP3 H157882 0.183 -0.186 4.011 + 1719TIP3 H257883 0.324 -0.207 4.062 + 1719TIP3 OH257884 -0.257 -0.046 3.854 + 1719TIP3 H157885 -0.340 -0.024 3.808 + 1719TIP3 H257886 -0.224 -0.124 3.805 + 1719TIP3 OH257887 0.098 -0.012 3.630 + 1719TIP3 H157888 0.196 -0.016 3.631 + 1719TIP3 H257889 0.078 0.037 3.548 + 1719TIP3 OH257890 0.715 -0.303 4.282 + 1719TIP3 H157891 0.673 -0.281 4.366 + 1719TIP3 H257892 0.641 -0.303 4.219 + 1719TIP3 OH257893 -0.053 0.105 3.401 + 1719TIP3 H157894 -0.112 0.074 3.331 + 1719TIP3 H257895 0.028 0.125 3.350 + 1719TIP3 OH257896 0.352 0.085 4.192 + 1719TIP3 H157897 0.406 0.060 4.116 + 1719TIP3 H257898 0.368 0.010 4.252 + 1719TIP3 OH257899 -0.090 -0.282 3.789 + 1719TIP3 H157900 -0.140 -0.363 3.800 + 1719TIP3 H257901 -0.009 -0.313 3.746 + 1719TIP3 OH257902 0.281 0.571 3.584 + 1719TIP3 H157903 0.213 0.513 3.543 + 1719TIP3 H257904 0.278 0.545 3.677 + 1719TIP3 OH257905 0.709 -0.157 3.362 + 1719TIP3 H157906 0.611 -0.156 3.356 + 1719TIP3 H257907 0.729 -0.082 3.421 + 1720TIP3 OH257908 0.776 0.029 3.566 + 1720TIP3 H157909 0.864 0.011 3.605 + 1720TIP3 H257910 0.790 0.115 3.524 + 1720TIP3 OH257911 0.535 0.698 3.475 + 1720TIP3 H157912 0.509 0.786 3.510 + 1720TIP3 H257913 0.458 0.645 3.500 + 1720TIP3 OH257914 1.235 0.025 3.539 + 1720TIP3 H157915 1.180 0.007 3.461 + 1720TIP3 H257916 1.249 0.122 3.526 + 1720TIP3 OH257917 1.054 0.887 3.547 + 1720TIP3 H157918 1.036 0.810 3.603 + 1720TIP3 H257919 1.112 0.851 3.478 + 1720TIP3 OH257920 0.779 0.451 4.236 + 1720TIP3 H157921 0.699 0.413 4.278 + 1720TIP3 H257922 0.820 0.372 4.196 + 1720TIP3 OH257923 0.043 0.830 3.886 + 1720TIP3 H157924 0.090 0.914 3.871 + 1720TIP3 H257925 -0.046 0.854 3.861 + 1720TIP3 OH257926 -0.356 0.310 3.350 + 1720TIP3 H157927 -0.296 0.374 3.392 + 1720TIP3 H257928 -0.442 0.339 3.384 + 1720TIP3 OH257929 0.193 0.575 3.905 + 1720TIP3 H157930 0.197 0.666 3.872 + 1720TIP3 H257931 0.110 0.544 3.869 + 1720TIP3 OH257932 0.089 1.118 3.816 + 1720TIP3 H157933 -0.006 1.136 3.817 + 1720TIP3 H257934 0.125 1.206 3.839 + 1720TIP3 OH257935 0.802 0.730 3.336 + 1720TIP3 H157936 0.845 0.685 3.411 + 1720TIP3 H257937 0.710 0.715 3.362 + 1721TIP3 OH257938 1.276 1.156 3.390 + 1721TIP3 H157939 1.346 1.220 3.369 + 1721TIP3 H257940 1.199 1.216 3.389 + 1721TIP3 OH257941 0.899 0.593 3.578 + 1721TIP3 H157942 0.878 0.515 3.631 + 1721TIP3 H257943 0.997 0.591 3.581 + 1721TIP3 OH257944 0.225 0.836 3.193 + 1721TIP3 H157945 0.257 0.758 3.143 + 1721TIP3 H257946 0.185 0.794 3.270 + 1721TIP3 OH257947 0.107 0.788 3.471 + 1721TIP3 H157948 0.167 0.736 3.527 + 1721TIP3 H257949 0.128 0.880 3.497 + 1721TIP3 OH257950 -0.203 0.529 3.507 + 1721TIP3 H157951 -0.277 0.568 3.557 + 1721TIP3 H257952 -0.159 0.609 3.474 + 1721TIP3 OH257953 0.622 -0.276 3.632 + 1721TIP3 H157954 0.646 -0.226 3.553 + 1721TIP3 H257955 0.671 -0.229 3.702 + 1721TIP3 OH257956 0.405 0.948 3.530 + 1721TIP3 H157957 0.324 1.001 3.543 + 1721TIP3 H257958 0.444 0.993 3.453 + 1721TIP3 OH257959 0.362 -0.077 3.725 + 1721TIP3 H157960 0.442 -0.023 3.739 + 1721TIP3 H257961 0.336 -0.098 3.816 + 1721TIP3 OH257962 0.420 -0.377 3.816 + 1721TIP3 H157963 0.413 -0.318 3.892 + 1721TIP3 H257964 0.499 -0.341 3.772 + 1721TIP3 OH257965 0.131 1.063 3.525 + 1721TIP3 H157966 0.120 1.141 3.467 + 1721TIP3 H257967 0.116 1.100 3.614 + 1722TIP3 OH257968 -0.003 -0.277 3.477 + 1722TIP3 H157969 -0.000 -0.200 3.536 + 1722TIP3 H257970 0.079 -0.324 3.502 + 1722TIP3 OH257971 0.870 0.202 4.143 + 1722TIP3 H157972 0.798 0.149 4.104 + 1722TIP3 H257973 0.931 0.131 4.174 + 1722TIP3 OH257974 -0.164 0.807 3.382 + 1722TIP3 H157975 -0.092 0.860 3.420 + 1722TIP3 H257976 -0.114 0.760 3.313 + 1722TIP3 OH257977 -0.349 0.030 3.295 + 1722TIP3 H157978 -0.335 0.124 3.315 + 1722TIP3 H257979 -0.435 0.031 3.253 + 1722TIP3 OH257980 1.163 1.413 4.376 + 1722TIP3 H157981 1.138 1.483 4.314 + 1722TIP3 H257982 1.120 1.338 4.329 + 1722TIP3 OH257983 -0.260 -0.469 4.172 + 1722TIP3 H157984 -0.273 -0.469 4.075 + 1722TIP3 H257985 -0.293 -0.557 4.198 + 1722TIP3 OH257986 -0.368 0.878 3.796 + 1722TIP3 H157987 -0.442 0.933 3.825 + 1722TIP3 H257988 -0.327 0.934 3.729 + 1722TIP3 OH257989 0.449 1.002 3.252 + 1722TIP3 H157990 0.374 0.943 3.231 + 1722TIP3 H257991 0.518 0.962 3.197 + 1722TIP3 OH257992 0.912 0.996 3.256 + 1722TIP3 H157993 0.927 0.915 3.306 + 1722TIP3 H257994 0.990 0.999 3.198 + 1722TIP3 OH257995 -0.010 0.578 3.228 + 1722TIP3 H157996 0.008 0.517 3.301 + 1722TIP3 H257997 0.076 0.576 3.181 + 1723TIP3 OH257998 0.511 0.709 3.188 + 1723TIP3 H157999 0.512 0.708 3.285 + 1723TIP3 H258000 0.510 0.613 3.169 + 1723TIP3 OH258001 0.102 0.384 3.469 + 1723TIP3 H158002 0.043 0.328 3.520 + 1723TIP3 H258003 0.132 0.322 3.400 + 1723TIP3 OH258004 0.195 0.192 3.289 + 1723TIP3 H158005 0.191 0.195 3.191 + 1723TIP3 H258006 0.291 0.184 3.304 + 1723TIP3 OH258007 1.146 0.439 3.220 + 1723TIP3 H158008 1.137 0.397 3.133 + 1723TIP3 H258009 1.136 0.534 3.195 + 1723TIP3 OH258010 0.174 1.336 3.363 + 1723TIP3 H158011 0.268 1.331 3.386 + 1723TIP3 H258012 0.182 1.379 3.275 + 1723TIP3 OH258013 -0.438 0.750 3.351 + 1723TIP3 H158014 -0.343 0.771 3.364 + 1723TIP3 H258015 -0.433 0.673 3.291 + 1723TIP3 OH258016 -0.579 1.311 3.867 + 1723TIP3 H158017 -0.626 1.266 3.795 + 1723TIP3 H258018 -0.557 1.237 3.927 + 1723TIP3 OH258019 -0.491 1.074 4.016 + 1723TIP3 H158020 -0.525 0.990 4.050 + 1723TIP3 H258021 -0.458 1.114 4.099 + 1723TIP3 OH258022 1.262 1.170 4.272 + 1723TIP3 H158023 1.252 1.172 4.368 + 1723TIP3 H258024 1.351 1.207 4.263 + 1723TIP3 OH258025 1.184 0.578 3.614 + 1723TIP3 H158026 1.276 0.609 3.629 + 1723TIP3 H258027 1.176 0.513 3.686 + 1724TIP3 OH258028 1.234 0.373 3.812 + 1724TIP3 H158029 1.166 0.317 3.854 + 1724TIP3 H258030 1.302 0.381 3.882 + 1724TIP3 OH258031 1.209 0.602 4.329 + 1724TIP3 H158032 1.271 0.550 4.277 + 1724TIP3 H258033 1.218 0.690 4.291 + 1724TIP3 OH258034 1.256 0.316 3.469 + 1724TIP3 H158035 1.206 0.346 3.391 + 1724TIP3 H258036 1.245 0.391 3.529 + 1724TIP3 OH258037 1.082 0.074 3.295 + 1724TIP3 H158038 1.110 0.132 3.223 + 1724TIP3 H258039 1.060 -0.009 3.248 + 1724TIP3 OH258040 1.025 0.181 3.896 + 1724TIP3 H158041 1.020 0.085 3.882 + 1724TIP3 H258042 0.990 0.191 3.986 + 1724TIP3 OH258043 -0.489 0.384 4.262 + 1724TIP3 H158044 -0.450 0.396 4.174 + 1724TIP3 H258045 -0.413 0.368 4.320 + 1724TIP3 OH258046 1.031 -0.192 3.216 + 1724TIP3 H158047 1.090 -0.242 3.275 + 1724TIP3 H258048 0.951 -0.247 3.210 + 1724TIP3 OH258049 1.010 -0.065 3.710 + 1724TIP3 H158050 1.036 -0.159 3.716 + 1724TIP3 H258051 1.091 -0.028 3.670 + 1724TIP3 OH258052 1.036 0.011 4.222 + 1724TIP3 H158053 1.131 -0.002 4.235 + 1724TIP3 H258054 0.999 -0.027 4.304 + 1724TIP3 OH258055 1.059 -0.343 3.707 + 1724TIP3 H158056 1.072 -0.376 3.797 + 1724TIP3 H258057 0.979 -0.393 3.680 + 1725TIP3 OH258058 -0.415 -0.212 4.192 + 1725TIP3 H158059 -0.389 -0.305 4.203 + 1725TIP3 H258060 -0.358 -0.171 4.259 + 1725TIP3 OH258061 -0.576 0.072 4.303 + 1725TIP3 H158062 -0.535 0.035 4.223 + 1725TIP3 H258063 -0.549 0.165 4.298 + 1725TIP3 OH258064 1.255 -0.295 3.373 + 1725TIP3 H158065 1.288 -0.376 3.329 + 1725TIP3 H258066 1.336 -0.244 3.385 + 1725TIP3 OH258067 -0.522 -0.328 3.696 + 1725TIP3 H158068 -0.616 -0.318 3.672 + 1725TIP3 H258069 -0.478 -0.268 3.633 + 1725TIP3 OH258070 0.940 1.207 3.899 + 1725TIP3 H158071 0.993 1.180 3.821 + 1725TIP3 H258072 1.008 1.233 3.962 + 1725TIP3 OH258073 -0.342 1.132 4.252 + 1725TIP3 H158074 -0.330 1.097 4.340 + 1725TIP3 H258075 -0.257 1.110 4.208 + 1725TIP3 OH258076 -0.132 1.014 4.121 + 1725TIP3 H158077 -0.138 0.920 4.143 + 1725TIP3 H258078 -0.040 1.037 4.147 + 1725TIP3 OH258079 0.129 1.066 4.214 + 1725TIP3 H158080 0.177 0.987 4.187 + 1725TIP3 H258081 0.145 1.068 4.309 + 1725TIP3 OH258082 0.469 -0.333 4.123 + 1725TIP3 H158083 0.412 -0.407 4.153 + 1725TIP3 H258084 0.540 -0.381 4.076 + 1725TIP3 OH258085 0.964 -0.457 4.147 + 1725TIP3 H158086 1.049 -0.500 4.131 + 1725TIP3 H258087 0.899 -0.524 4.126 + 1726TIP3 OH258088 1.183 -0.430 3.954 + 1726TIP3 H158089 1.258 -0.468 3.906 + 1726TIP3 H258090 1.213 -0.338 3.971 + 1726TIP3 OH258091 -0.287 -0.486 3.889 + 1726TIP3 H158092 -0.368 -0.495 3.836 + 1726TIP3 H258093 -0.243 -0.569 3.870 + 1726TIP3 OH258094 -0.397 -0.525 3.479 + 1726TIP3 H158095 -0.348 -0.456 3.430 + 1726TIP3 H258096 -0.440 -0.472 3.549 + 1726TIP3 OH258097 0.157 -0.493 3.894 + 1726TIP3 H158098 0.245 -0.460 3.869 + 1726TIP3 H258099 0.169 -0.506 3.989 + 1726TIP3 OH258100 0.687 -0.478 3.997 + 1726TIP3 H158101 0.743 -0.501 3.922 + 1726TIP3 H258102 0.674 -0.563 4.041 + 1726TIP3 OH258103 0.826 -0.483 3.618 + 1726TIP3 H158104 0.744 -0.434 3.601 + 1726TIP3 H258105 0.791 -0.574 3.629 + 1726TIP3 OH258106 -0.398 1.075 3.589 + 1726TIP3 H158107 -0.462 1.064 3.517 + 1726TIP3 H258108 -0.395 1.172 3.595 + 1726TIP3 OH258109 -0.237 -0.340 3.321 + 1726TIP3 H158110 -0.176 -0.394 3.267 + 1726TIP3 H258111 -0.177 -0.306 3.390 + 1726TIP3 OH258112 0.267 -0.319 3.586 + 1726TIP3 H158113 0.310 -0.377 3.652 + 1726TIP3 H258114 0.294 -0.233 3.621 + 1726TIP3 OH258115 0.475 1.254 3.410 + 1726TIP3 H158116 0.572 1.258 3.401 + 1726TIP3 H258117 0.454 1.196 3.335 + 1727TIP3 OH258118 1.126 1.161 3.664 + 1727TIP3 H158119 1.103 1.076 3.620 + 1727TIP3 H258120 1.125 1.221 3.588 + 1727TIP3 OH258121 -0.252 1.162 3.274 + 1727TIP3 H158122 -0.264 1.195 3.364 + 1727TIP3 H258123 -0.167 1.114 3.281 + 1727TIP3 OH258124 2.491 0.404 3.918 + 1727TIP3 H158125 2.494 0.501 3.929 + 1727TIP3 H258126 2.414 0.393 3.862 + 1727TIP3 OH258127 2.393 0.340 4.246 + 1727TIP3 H158128 2.380 0.266 4.307 + 1727TIP3 H258129 2.371 0.300 4.161 + 1727TIP3 OH258130 2.747 0.617 4.043 + 1727TIP3 H158131 2.707 0.552 4.103 + 1727TIP3 H258132 2.780 0.680 4.112 + 1727TIP3 OH258133 1.695 0.760 4.250 + 1727TIP3 H158134 1.674 0.670 4.220 + 1727TIP3 H258135 1.793 0.750 4.254 + 1727TIP3 OH258136 1.393 0.111 3.778 + 1727TIP3 H158137 1.355 0.200 3.787 + 1727TIP3 H258138 1.321 0.062 3.737 + 1727TIP3 OH258139 1.469 0.348 3.975 + 1727TIP3 H158140 1.493 0.269 4.028 + 1727TIP3 H258141 1.553 0.368 3.932 + 1727TIP3 OH258142 2.423 1.117 4.115 + 1727TIP3 H158143 2.515 1.116 4.084 + 1727TIP3 H258144 2.434 1.128 4.210 + 1727TIP3 OH258145 2.192 0.570 4.284 + 1727TIP3 H158146 2.232 0.507 4.222 + 1727TIP3 H258147 2.273 0.608 4.322 + 1728TIP3 OH258148 2.539 0.044 4.322 + 1728TIP3 H158149 2.582 -0.041 4.339 + 1728TIP3 H258150 2.545 0.052 4.225 + 1728TIP3 OH258151 1.849 -0.168 4.043 + 1728TIP3 H158152 1.868 -0.083 3.998 + 1728TIP3 H258153 1.818 -0.220 3.967 + 1728TIP3 OH258154 2.639 -0.147 3.866 + 1728TIP3 H158155 2.692 -0.187 3.939 + 1728TIP3 H258156 2.710 -0.104 3.816 + 1728TIP3 OH258157 1.543 0.095 4.102 + 1728TIP3 H158158 1.597 0.034 4.153 + 1728TIP3 H258159 1.549 0.054 4.013 + 1728TIP3 OH258160 2.061 0.239 4.066 + 1728TIP3 H158161 2.130 0.174 4.085 + 1728TIP3 H258162 2.010 0.194 3.995 + 1728TIP3 OH258163 2.498 0.702 3.778 + 1728TIP3 H158164 2.429 0.655 3.729 + 1728TIP3 H258165 2.447 0.779 3.810 + 1728TIP3 OH258166 2.814 -0.207 4.067 + 1728TIP3 H158167 2.812 -0.297 4.107 + 1728TIP3 H258168 2.866 -0.161 4.136 + 1728TIP3 OH258169 1.772 -0.077 4.297 + 1728TIP3 H158170 1.765 0.016 4.275 + 1728TIP3 H258171 1.774 -0.120 4.209 + 1728TIP3 OH258172 1.459 0.660 3.628 + 1728TIP3 H158173 1.443 0.710 3.546 + 1728TIP3 H258174 1.478 0.729 3.694 + 1728TIP3 OH258175 2.821 0.757 4.257 + 1728TIP3 H158176 2.749 0.750 4.324 + 1728TIP3 H258177 2.857 0.843 4.278 + 1729TIP3 OH258178 2.147 -0.530 4.178 + 1729TIP3 H158179 2.143 -0.627 4.182 + 1729TIP3 H258180 2.063 -0.505 4.223 + 1729TIP3 OH258181 2.653 0.992 3.978 + 1729TIP3 H158182 2.691 0.918 3.927 + 1729TIP3 H258183 2.695 1.070 3.939 + 1729TIP3 OH258184 2.791 0.774 3.813 + 1729TIP3 H158185 2.716 0.739 3.762 + 1729TIP3 H258186 2.782 0.721 3.894 + 1729TIP3 OH258187 2.349 0.351 3.626 + 1729TIP3 H158188 2.279 0.420 3.621 + 1729TIP3 H258189 2.411 0.380 3.558 + 1729TIP3 OH258190 2.390 0.177 3.342 + 1729TIP3 H158191 2.454 0.206 3.409 + 1729TIP3 H258192 2.445 0.117 3.289 + 1729TIP3 OH258193 2.712 0.357 3.750 + 1729TIP3 H158194 2.643 0.380 3.816 + 1729TIP3 H258195 2.769 0.299 3.802 + 1729TIP3 OH258196 1.855 0.432 3.947 + 1729TIP3 H158197 1.848 0.422 3.851 + 1729TIP3 H258198 1.948 0.412 3.961 + 1729TIP3 OH258199 1.969 0.735 4.169 + 1729TIP3 H158200 1.973 0.735 4.072 + 1729TIP3 H258201 2.063 0.739 4.194 + 1729TIP3 OH258202 1.890 0.315 4.274 + 1729TIP3 H158203 1.952 0.306 4.199 + 1729TIP3 H258204 1.947 0.354 4.342 + 1729TIP3 OH258205 2.612 0.297 3.493 + 1729TIP3 H158206 2.649 0.330 3.577 + 1729TIP3 H258207 2.659 0.355 3.428 + 1730TIP3 OH258208 2.371 0.976 3.856 + 1730TIP3 H158209 2.394 1.005 3.946 + 1730TIP3 H258210 2.301 1.038 3.832 + 1730TIP3 OH258211 2.950 -0.523 3.440 + 1730TIP3 H158212 2.864 -0.516 3.485 + 1730TIP3 H258213 2.986 -0.433 3.452 + 1730TIP3 OH258214 1.767 0.305 3.681 + 1730TIP3 H158215 1.755 0.382 3.623 + 1730TIP3 H258216 1.699 0.245 3.649 + 1730TIP3 OH258217 3.092 0.891 3.291 + 1730TIP3 H158218 3.105 0.982 3.321 + 1730TIP3 H258219 3.176 0.849 3.317 + 1730TIP3 OH258220 1.382 0.850 4.247 + 1730TIP3 H158221 1.479 0.846 4.243 + 1730TIP3 H258222 1.367 0.940 4.279 + 1730TIP3 OH258223 2.282 1.269 3.701 + 1730TIP3 H158224 2.313 1.255 3.611 + 1730TIP3 H258225 2.342 1.336 3.738 + 1730TIP3 OH258226 1.684 1.151 3.865 + 1730TIP3 H158227 1.706 1.100 3.945 + 1730TIP3 H258228 1.605 1.105 3.835 + 1730TIP3 OH258229 2.635 1.174 3.411 + 1730TIP3 H158230 2.692 1.105 3.373 + 1730TIP3 H258231 2.629 1.145 3.505 + 1730TIP3 OH258232 2.579 1.120 3.697 + 1730TIP3 H158233 2.487 1.140 3.718 + 1730TIP3 H258234 2.588 1.042 3.753 + 1730TIP3 OH258235 1.903 -0.440 4.292 + 1730TIP3 H158236 1.820 -0.450 4.242 + 1730TIP3 H258237 1.909 -0.344 4.306 + 1731TIP3 OH258238 2.762 0.411 3.293 + 1731TIP3 H158239 2.745 0.389 3.200 + 1731TIP3 H258240 2.856 0.433 3.292 + 1731TIP3 OH258241 2.329 -0.214 3.345 + 1731TIP3 H158242 2.278 -0.224 3.427 + 1731TIP3 H258243 2.286 -0.282 3.290 + 1731TIP3 OH258244 1.893 0.058 3.886 + 1731TIP3 H158245 1.797 0.060 3.868 + 1731TIP3 H258246 1.927 0.045 3.796 + 1731TIP3 OH258247 2.446 0.130 3.760 + 1731TIP3 H158248 2.403 0.210 3.721 + 1731TIP3 H258249 2.513 0.111 3.693 + 1731TIP3 OH258250 2.529 0.063 4.040 + 1731TIP3 H158251 2.500 0.118 3.964 + 1731TIP3 H258252 2.551 -0.020 3.992 + 1731TIP3 OH258253 1.970 -0.171 3.233 + 1731TIP3 H158254 1.936 -0.202 3.319 + 1731TIP3 H258255 1.889 -0.156 3.183 + 1731TIP3 OH258256 1.316 -0.180 3.944 + 1731TIP3 H158257 1.374 -0.183 4.022 + 1731TIP3 H258258 1.369 -0.219 3.874 + 1731TIP3 OH258259 1.472 -0.139 3.512 + 1731TIP3 H158260 1.529 -0.090 3.449 + 1731TIP3 H258261 1.404 -0.072 3.532 + 1731TIP3 OH258262 2.159 -0.172 3.984 + 1731TIP3 H158263 2.066 -0.182 4.008 + 1731TIP3 H258264 2.205 -0.201 4.065 + 1731TIP3 OH258265 1.618 -0.056 3.857 + 1731TIP3 H158266 1.541 -0.025 3.807 + 1731TIP3 H258267 1.651 -0.131 3.804 + 1732TIP3 OH258268 1.988 -0.024 3.617 + 1732TIP3 H158269 2.084 -0.010 3.626 + 1732TIP3 H258270 1.960 0.041 3.551 + 1732TIP3 OH258271 2.601 -0.309 4.283 + 1732TIP3 H158272 2.563 -0.276 4.365 + 1732TIP3 H258273 2.528 -0.305 4.220 + 1732TIP3 OH258274 1.831 0.099 3.399 + 1732TIP3 H158275 1.774 0.076 3.325 + 1732TIP3 H258276 1.911 0.129 3.353 + 1732TIP3 OH258277 2.257 0.063 4.192 + 1732TIP3 H158278 2.327 0.031 4.134 + 1732TIP3 H258279 2.261 -0.001 4.264 + 1732TIP3 OH258280 1.799 -0.280 3.786 + 1732TIP3 H158281 1.744 -0.360 3.799 + 1732TIP3 H258282 1.879 -0.317 3.746 + 1732TIP3 OH258283 2.596 -0.148 3.353 + 1732TIP3 H158284 2.498 -0.157 3.356 + 1732TIP3 H258285 2.614 -0.082 3.424 + 1732TIP3 OH258286 2.662 0.026 3.561 + 1732TIP3 H158287 2.749 0.012 3.605 + 1732TIP3 H258288 2.671 0.117 3.527 + 1732TIP3 OH258289 1.685 0.474 4.169 + 1732TIP3 H158290 1.741 0.479 4.089 + 1732TIP3 H258291 1.734 0.404 4.217 + 1732TIP3 OH258292 2.389 0.687 3.470 + 1732TIP3 H158293 2.384 0.769 3.523 + 1732TIP3 H258294 2.319 0.638 3.517 + 1732TIP3 OH258295 3.124 0.024 3.537 + 1732TIP3 H158296 3.065 0.005 3.462 + 1732TIP3 H258297 3.134 0.120 3.526 + 1733TIP3 OH258298 2.942 0.889 3.546 + 1733TIP3 H158299 2.912 0.818 3.605 + 1733TIP3 H258300 2.998 0.842 3.482 + 1733TIP3 OH258301 2.656 0.435 4.251 + 1733TIP3 H158302 2.564 0.406 4.265 + 1733TIP3 H258303 2.693 0.360 4.201 + 1733TIP3 OH258304 1.910 0.846 3.918 + 1733TIP3 H158305 1.988 0.876 3.869 + 1733TIP3 H258306 1.843 0.842 3.849 + 1733TIP3 OH258307 1.529 0.310 3.349 + 1733TIP3 H158308 1.589 0.375 3.390 + 1733TIP3 H258309 1.443 0.338 3.385 + 1733TIP3 OH258310 1.979 1.124 3.804 + 1733TIP3 H158311 1.885 1.132 3.824 + 1733TIP3 H258312 2.015 1.209 3.833 + 1733TIP3 OH258313 2.682 0.730 3.340 + 1733TIP3 H158314 2.722 0.683 3.416 + 1733TIP3 H258315 2.589 0.713 3.360 + 1733TIP3 OH258316 3.165 1.154 3.386 + 1733TIP3 H158317 3.231 1.222 3.367 + 1733TIP3 H258318 3.087 1.212 3.396 + 1733TIP3 OH258319 2.785 0.586 3.565 + 1733TIP3 H158320 2.752 0.523 3.632 + 1733TIP3 H258321 2.879 0.592 3.589 + 1733TIP3 OH258322 2.115 0.833 3.186 + 1733TIP3 H158323 2.143 0.751 3.141 + 1733TIP3 H258324 2.076 0.796 3.268 + 1733TIP3 OH258325 2.019 0.775 3.460 + 1733TIP3 H158326 2.053 0.718 3.532 + 1733TIP3 H258327 2.022 0.863 3.502 + 1734TIP3 OH258328 1.676 0.529 3.499 + 1734TIP3 H158329 1.608 0.569 3.558 + 1734TIP3 H258330 1.732 0.605 3.480 + 1734TIP3 OH258331 2.515 -0.281 3.632 + 1734TIP3 H158332 2.527 -0.222 3.556 + 1734TIP3 H258333 2.554 -0.230 3.705 + 1734TIP3 OH258334 2.304 0.970 3.534 + 1734TIP3 H158335 2.211 0.994 3.546 + 1734TIP3 H258336 2.322 0.998 3.444 + 1734TIP3 OH258337 2.256 -0.079 3.727 + 1734TIP3 H158338 2.327 -0.014 3.744 + 1734TIP3 H258339 2.223 -0.097 3.817 + 1734TIP3 OH258340 2.306 -0.378 3.818 + 1734TIP3 H158341 2.294 -0.315 3.891 + 1734TIP3 H258342 2.383 -0.340 3.773 + 1734TIP3 OH258343 2.005 1.053 3.527 + 1734TIP3 H158344 2.003 1.137 3.477 + 1734TIP3 H258345 2.000 1.084 3.619 + 1734TIP3 OH258346 1.884 -0.276 3.474 + 1734TIP3 H158347 1.886 -0.199 3.534 + 1734TIP3 H258348 1.965 -0.323 3.502 + 1734TIP3 OH258349 2.760 0.202 4.135 + 1734TIP3 H158350 2.681 0.153 4.107 + 1734TIP3 H258351 2.816 0.130 4.172 + 1734TIP3 OH258352 1.729 0.813 3.383 + 1734TIP3 H158353 1.802 0.864 3.422 + 1734TIP3 H258354 1.779 0.758 3.321 + 1734TIP3 OH258355 1.539 0.030 3.291 + 1734TIP3 H158356 1.552 0.123 3.316 + 1734TIP3 H258357 1.451 0.031 3.253 + 1735TIP3 OH258358 2.897 1.172 4.329 + 1735TIP3 H158359 2.844 1.222 4.263 + 1735TIP3 H258360 2.977 1.152 4.279 + 1735TIP3 OH258361 1.627 -0.470 4.172 + 1735TIP3 H158362 1.612 -0.466 4.075 + 1735TIP3 H258363 1.592 -0.557 4.195 + 1735TIP3 OH258364 1.516 0.879 3.799 + 1735TIP3 H158365 1.441 0.936 3.821 + 1735TIP3 H258366 1.560 0.931 3.730 + 1735TIP3 OH258367 2.333 1.004 3.241 + 1735TIP3 H158368 2.255 0.945 3.235 + 1735TIP3 H258369 2.402 0.943 3.213 + 1735TIP3 OH258370 2.798 0.992 3.249 + 1735TIP3 H158371 2.809 0.915 3.308 + 1735TIP3 H258372 2.882 0.994 3.202 + 1735TIP3 OH258373 1.877 0.575 3.229 + 1735TIP3 H158374 1.894 0.519 3.308 + 1735TIP3 H258375 1.965 0.573 3.189 + 1735TIP3 OH258376 2.405 0.713 3.192 + 1735TIP3 H158377 2.387 0.705 3.289 + 1735TIP3 H258378 2.394 0.619 3.167 + 1735TIP3 OH258379 1.972 0.394 3.434 + 1735TIP3 H158380 1.954 0.365 3.524 + 1735TIP3 H258381 2.017 0.317 3.396 + 1735TIP3 OH258382 2.082 0.182 3.288 + 1735TIP3 H158383 2.076 0.196 3.192 + 1735TIP3 H258384 2.178 0.184 3.303 + 1735TIP3 OH258385 3.034 0.441 3.220 + 1735TIP3 H158386 3.019 0.397 3.135 + 1735TIP3 H258387 3.019 0.535 3.197 + 1736TIP3 OH258388 2.056 1.312 3.395 + 1736TIP3 H158389 2.151 1.324 3.413 + 1736TIP3 H258390 2.048 1.357 3.310 + 1736TIP3 OH258391 1.449 0.752 3.348 + 1736TIP3 H158392 1.545 0.767 3.365 + 1736TIP3 H258393 1.451 0.672 3.293 + 1736TIP3 OH258394 1.344 1.272 3.826 + 1736TIP3 H158395 1.275 1.232 3.770 + 1736TIP3 H258396 1.359 1.202 3.893 + 1736TIP3 OH258397 1.391 1.070 4.017 + 1736TIP3 H158398 1.357 0.983 4.044 + 1736TIP3 H258399 1.418 1.104 4.105 + 1736TIP3 OH258400 3.161 1.208 4.269 + 1736TIP3 H158401 3.135 1.196 4.362 + 1736TIP3 H258402 3.257 1.212 4.278 + 1736TIP3 OH258403 3.076 0.576 3.611 + 1736TIP3 H158404 3.166 0.605 3.634 + 1736TIP3 H258405 3.058 0.515 3.684 + 1736TIP3 OH258406 3.126 0.366 3.815 + 1736TIP3 H158407 3.050 0.317 3.854 + 1736TIP3 H258408 3.183 0.383 3.892 + 1736TIP3 OH258409 3.094 0.606 4.336 + 1736TIP3 H158410 3.146 0.554 4.273 + 1736TIP3 H258411 3.076 0.688 4.288 + 1736TIP3 OH258412 3.147 0.320 3.467 + 1736TIP3 H158413 3.092 0.347 3.391 + 1736TIP3 H258414 3.128 0.392 3.529 + 1736TIP3 OH258415 2.968 0.075 3.294 + 1736TIP3 H158416 2.996 0.131 3.220 + 1736TIP3 H258417 2.945 -0.009 3.250 + 1737TIP3 OH258418 2.911 0.186 3.894 + 1737TIP3 H158419 2.904 0.091 3.878 + 1737TIP3 H258420 2.872 0.196 3.983 + 1737TIP3 OH258421 1.396 0.374 4.262 + 1737TIP3 H158422 1.431 0.399 4.175 + 1737TIP3 H258423 1.477 0.371 4.316 + 1737TIP3 OH258424 2.918 -0.192 3.213 + 1737TIP3 H158425 2.976 -0.241 3.275 + 1737TIP3 H258426 2.837 -0.245 3.212 + 1737TIP3 OH258427 2.897 -0.063 3.709 + 1737TIP3 H158428 2.919 -0.159 3.717 + 1737TIP3 H258429 2.980 -0.030 3.670 + 1737TIP3 OH258430 2.922 0.010 4.223 + 1737TIP3 H158431 3.016 -0.001 4.240 + 1737TIP3 H258432 2.882 -0.029 4.304 + 1737TIP3 OH258433 2.945 -0.343 3.706 + 1737TIP3 H158434 2.959 -0.377 3.796 + 1737TIP3 H258435 2.865 -0.393 3.679 + 1737TIP3 OH258436 1.467 -0.213 4.194 + 1737TIP3 H158437 1.498 -0.305 4.204 + 1737TIP3 H258438 1.528 -0.168 4.254 + 1737TIP3 OH258439 1.311 0.074 4.303 + 1737TIP3 H158440 1.353 0.037 4.224 + 1737TIP3 H258441 1.339 0.167 4.297 + 1737TIP3 OH258442 3.142 -0.292 3.370 + 1737TIP3 H158443 3.172 -0.378 3.335 + 1737TIP3 H258444 3.226 -0.246 3.385 + 1737TIP3 OH258445 1.367 -0.326 3.691 + 1737TIP3 H158446 1.271 -0.318 3.672 + 1737TIP3 H258447 1.407 -0.263 3.628 + 1738TIP3 OH258448 2.832 1.217 3.891 + 1738TIP3 H158449 2.883 1.173 3.821 + 1738TIP3 H258450 2.897 1.233 3.960 + 1738TIP3 OH258451 1.533 1.110 4.260 + 1738TIP3 H158452 1.567 1.108 4.351 + 1738TIP3 H258453 1.615 1.085 4.212 + 1738TIP3 OH258454 1.751 1.023 4.124 + 1738TIP3 H158455 1.746 0.926 4.132 + 1738TIP3 H258456 1.846 1.037 4.143 + 1738TIP3 OH258457 2.018 1.074 4.213 + 1738TIP3 H158458 2.058 0.996 4.174 + 1738TIP3 H258459 2.035 1.060 4.307 + 1738TIP3 OH258460 2.357 -0.332 4.126 + 1738TIP3 H158461 2.297 -0.405 4.153 + 1738TIP3 H258462 2.425 -0.381 4.076 + 1738TIP3 OH258463 2.851 -0.459 4.153 + 1738TIP3 H158464 2.935 -0.501 4.128 + 1738TIP3 H258465 2.783 -0.520 4.122 + 1738TIP3 OH258466 3.065 -0.427 3.953 + 1738TIP3 H158467 3.142 -0.471 3.912 + 1738TIP3 H258468 3.098 -0.338 3.971 + 1738TIP3 OH258469 1.594 -0.471 3.890 + 1738TIP3 H158470 1.509 -0.484 3.843 + 1738TIP3 H258471 1.638 -0.556 3.873 + 1738TIP3 OH258472 1.476 -0.521 3.477 + 1738TIP3 H158473 1.527 -0.455 3.426 + 1738TIP3 H258474 1.436 -0.466 3.547 + 1738TIP3 OH258475 2.046 -0.495 3.891 + 1738TIP3 H158476 2.133 -0.458 3.871 + 1738TIP3 H258477 2.050 -0.504 3.987 + 1739TIP3 OH258478 2.577 -0.478 3.999 + 1739TIP3 H158479 2.627 -0.502 3.920 + 1739TIP3 H258480 2.559 -0.564 4.040 + 1739TIP3 OH258481 2.713 -0.484 3.615 + 1739TIP3 H158482 2.632 -0.431 3.606 + 1739TIP3 H258483 2.676 -0.573 3.629 + 1739TIP3 OH258484 1.494 1.075 3.594 + 1739TIP3 H158485 1.430 1.063 3.521 + 1739TIP3 H258486 1.494 1.171 3.601 + 1739TIP3 OH258487 1.648 -0.339 3.321 + 1739TIP3 H158488 1.709 -0.394 3.270 + 1739TIP3 H258489 1.707 -0.305 3.391 + 1739TIP3 OH258490 2.157 -0.322 3.583 + 1739TIP3 H158491 2.195 -0.375 3.654 + 1739TIP3 H258492 2.174 -0.233 3.619 + 1739TIP3 OH258493 2.365 1.267 3.397 + 1739TIP3 H158494 2.462 1.259 3.402 + 1739TIP3 H258495 2.343 1.190 3.342 + 1739TIP3 OH258496 3.020 1.158 3.660 + 1739TIP3 H158497 2.989 1.076 3.618 + 1739TIP3 H258498 2.999 1.224 3.592 + 1739TIP3 OH258499 1.639 1.171 3.273 + 1739TIP3 H158500 1.615 1.197 3.363 + 1739TIP3 H258501 1.715 1.112 3.288 + 1739TIP3 OH258502 4.215 0.341 4.222 + 1739TIP3 H158503 4.265 0.302 4.297 + 1739TIP3 H258504 4.235 0.280 4.150 + 1739TIP3 OH258505 3.280 0.123 3.779 + 1739TIP3 H158506 3.228 0.205 3.783 + 1739TIP3 H258507 3.214 0.059 3.749 + 1740TIP3 OH258508 3.372 0.358 3.989 + 1740TIP3 H158509 3.378 0.269 4.029 + 1740TIP3 H258510 3.436 0.350 3.917 + 1740TIP3 OH258511 4.052 0.564 4.251 + 1740TIP3 H158512 4.103 0.489 4.214 + 1740TIP3 H258513 4.126 0.602 4.304 + 1740TIP3 OH258514 3.736 -0.168 4.042 + 1740TIP3 H158515 3.753 -0.085 3.994 + 1740TIP3 H258516 3.706 -0.226 3.969 + 1740TIP3 OH258517 3.438 0.101 4.097 + 1740TIP3 H158518 3.473 0.035 4.157 + 1740TIP3 H258519 3.434 0.051 4.014 + 1740TIP3 OH258520 3.938 0.239 4.057 + 1740TIP3 H158521 4.016 0.185 4.082 + 1740TIP3 H258522 3.895 0.178 3.994 + 1740TIP3 OH258523 3.666 -0.077 4.300 + 1740TIP3 H158524 3.642 0.014 4.279 + 1740TIP3 H258525 3.657 -0.123 4.215 + 1740TIP3 OH258526 3.353 0.660 3.627 + 1740TIP3 H158527 3.324 0.708 3.547 + 1740TIP3 H258528 3.364 0.731 3.693 + 1740TIP3 OH258529 4.043 -0.533 4.187 + 1740TIP3 H158530 4.027 -0.629 4.186 + 1740TIP3 H258531 3.957 -0.500 4.218 + 1740TIP3 OH258532 4.268 0.347 3.634 + 1740TIP3 H158533 4.200 0.412 3.610 + 1740TIP3 H258534 4.332 0.359 3.564 + 1740TIP3 OH258535 4.291 0.192 3.349 + 1740TIP3 H158536 4.365 0.183 3.410 + 1740TIP3 H258537 4.292 0.110 3.300 + 1741TIP3 OH258538 3.763 0.441 3.927 + 1741TIP3 H158539 3.720 0.396 3.851 + 1741TIP3 H258540 3.813 0.367 3.967 + 1741TIP3 OH258541 3.784 0.326 4.274 + 1741TIP3 H158542 3.849 0.300 4.206 + 1741TIP3 H258543 3.839 0.335 4.353 + 1741TIP3 OH258544 4.242 0.958 3.850 + 1741TIP3 H158545 4.299 1.005 3.914 + 1741TIP3 H258546 4.202 1.031 3.803 + 1741TIP3 OH258547 3.648 0.315 3.684 + 1741TIP3 H158548 3.625 0.384 3.620 + 1741TIP3 H258549 3.589 0.242 3.657 + 1741TIP3 OH258550 3.265 0.861 4.225 + 1741TIP3 H158551 3.355 0.850 4.256 + 1741TIP3 H258552 3.230 0.926 4.287 + 1741TIP3 OH258553 4.184 1.233 3.698 + 1741TIP3 H158554 4.205 1.237 3.604 + 1741TIP3 H258555 4.206 1.321 3.731 + 1741TIP3 OH258556 3.575 1.146 3.864 + 1741TIP3 H158557 3.584 1.099 3.949 + 1741TIP3 H258558 3.490 1.110 3.833 + 1741TIP3 OH258559 3.791 -0.437 4.292 + 1741TIP3 H158560 3.710 -0.457 4.243 + 1741TIP3 H258561 3.784 -0.342 4.308 + 1741TIP3 OH258562 4.228 -0.205 3.350 + 1741TIP3 H158563 4.173 -0.229 3.427 + 1741TIP3 H258564 4.202 -0.275 3.289 + 1741TIP3 OH258565 3.776 0.070 3.882 + 1741TIP3 H158566 3.681 0.055 3.868 + 1741TIP3 H258567 3.811 0.043 3.795 + 1742TIP3 OH258568 4.276 0.116 3.838 + 1742TIP3 H158569 4.273 0.207 3.805 + 1742TIP3 H258570 4.369 0.101 3.860 + 1742TIP3 OH258571 3.859 -0.155 3.237 + 1742TIP3 H158572 3.825 -0.198 3.318 + 1742TIP3 H258573 3.782 -0.158 3.178 + 1742TIP3 OH258574 3.214 -0.162 3.940 + 1742TIP3 H158575 3.260 -0.187 4.021 + 1742TIP3 H258576 3.250 -0.222 3.872 + 1742TIP3 OH258577 3.359 -0.138 3.511 + 1742TIP3 H158578 3.414 -0.088 3.447 + 1742TIP3 H258579 3.289 -0.074 3.532 + 1742TIP3 OH258580 4.048 -0.182 3.984 + 1742TIP3 H158581 3.954 -0.198 4.003 + 1742TIP3 H258582 4.087 -0.198 4.072 + 1742TIP3 OH258583 3.515 -0.050 3.848 + 1742TIP3 H158584 3.427 -0.032 3.811 + 1742TIP3 H258585 3.539 -0.135 3.806 + 1742TIP3 OH258586 3.873 -0.020 3.622 + 1742TIP3 H158587 3.970 -0.012 3.626 + 1742TIP3 H258588 3.847 0.039 3.550 + 1742TIP3 OH258589 3.721 0.110 3.398 + 1742TIP3 H158590 3.659 0.074 3.333 + 1742TIP3 H258591 3.803 0.115 3.346 + 1742TIP3 OH258592 4.128 0.059 4.153 + 1742TIP3 H158593 4.188 0.013 4.092 + 1742TIP3 H258594 4.152 0.018 4.238 + 1742TIP3 OH258595 3.676 -0.291 3.784 + 1742TIP3 H158596 3.625 -0.371 3.804 + 1742TIP3 H258597 3.760 -0.329 3.756 + 1743TIP3 OH258598 4.067 0.553 3.584 + 1743TIP3 H158599 3.994 0.499 3.545 + 1743TIP3 H258600 4.053 0.543 3.679 + 1743TIP3 OH258601 3.583 0.507 4.172 + 1743TIP3 H158602 3.610 0.483 4.082 + 1743TIP3 H258603 3.600 0.425 4.220 + 1743TIP3 OH258604 4.287 0.690 3.482 + 1743TIP3 H158605 4.260 0.779 3.512 + 1743TIP3 H258606 4.211 0.637 3.513 + 1743TIP3 OH258607 3.811 0.831 3.930 + 1743TIP3 H158608 3.860 0.909 3.895 + 1743TIP3 H258609 3.728 0.840 3.880 + 1743TIP3 OH258610 3.414 0.310 3.349 + 1743TIP3 H158611 3.471 0.377 3.391 + 1743TIP3 H258612 3.326 0.333 3.388 + 1743TIP3 OH258613 3.989 0.604 3.907 + 1743TIP3 H158614 3.970 0.685 3.857 + 1743TIP3 H258615 3.914 0.545 3.885 + 1743TIP3 OH258616 3.859 1.117 3.813 + 1743TIP3 H158617 3.764 1.136 3.820 + 1743TIP3 H258618 3.897 1.204 3.837 + 1743TIP3 OH258619 3.994 0.838 3.194 + 1743TIP3 H158620 4.029 0.762 3.144 + 1743TIP3 H258621 3.955 0.793 3.271 + 1743TIP3 OH258622 3.882 0.781 3.472 + 1743TIP3 H158623 3.941 0.730 3.530 + 1743TIP3 H258624 3.900 0.874 3.499 + 1743TIP3 OH258625 3.569 0.531 3.506 + 1743TIP3 H158626 3.494 0.568 3.557 + 1743TIP3 H258627 3.612 0.612 3.475 + 1744TIP3 OH258628 4.166 0.946 3.522 + 1744TIP3 H158629 4.088 1.000 3.543 + 1744TIP3 H258630 4.211 1.002 3.458 + 1744TIP3 OH258631 4.138 -0.085 3.727 + 1744TIP3 H158632 4.200 -0.018 3.763 + 1744TIP3 H258633 4.099 -0.114 3.812 + 1744TIP3 OH258634 4.199 -0.384 3.850 + 1744TIP3 H158635 4.164 -0.305 3.896 + 1744TIP3 H258636 4.270 -0.347 3.795 + 1744TIP3 OH258637 3.895 1.054 3.528 + 1744TIP3 H158638 3.891 1.135 3.472 + 1744TIP3 H258639 3.881 1.091 3.617 + 1744TIP3 OH258640 3.769 -0.272 3.468 + 1744TIP3 H158641 3.770 -0.205 3.538 + 1744TIP3 H258642 3.836 -0.336 3.498 + 1744TIP3 OH258643 3.611 0.811 3.381 + 1744TIP3 H158644 3.684 0.860 3.421 + 1744TIP3 H258645 3.660 0.760 3.314 + 1744TIP3 OH258646 3.428 0.033 3.288 + 1744TIP3 H158647 3.434 0.127 3.315 + 1744TIP3 H258648 3.336 0.027 3.258 + 1744TIP3 OH258649 3.503 -0.467 4.165 + 1744TIP3 H158650 3.503 -0.478 4.068 + 1744TIP3 H258651 3.482 -0.557 4.194 + 1744TIP3 OH258652 3.409 0.883 3.799 + 1744TIP3 H158653 3.330 0.930 3.829 + 1744TIP3 H258654 3.438 0.938 3.725 + 1744TIP3 OH258655 4.231 1.003 3.225 + 1744TIP3 H158656 4.148 0.951 3.226 + 1744TIP3 H258657 4.294 0.930 3.212 + 1745TIP3 OH258658 3.763 0.580 3.227 + 1745TIP3 H158659 3.777 0.519 3.301 + 1745TIP3 H258660 3.849 0.574 3.181 + 1745TIP3 OH258661 4.260 0.711 3.183 + 1745TIP3 H158662 4.279 0.721 3.278 + 1745TIP3 H258663 4.245 0.615 3.177 + 1745TIP3 OH258664 3.875 0.384 3.464 + 1745TIP3 H158665 3.807 0.334 3.513 + 1745TIP3 H258666 3.903 0.316 3.399 + 1745TIP3 OH258667 3.980 0.190 3.290 + 1745TIP3 H158668 3.969 0.189 3.194 + 1745TIP3 H258669 4.076 0.197 3.299 + 1745TIP3 OH258670 3.957 1.307 3.398 + 1745TIP3 H158671 4.053 1.316 3.405 + 1745TIP3 H258672 3.940 1.357 3.317 + 1745TIP3 OH258673 3.333 0.752 3.349 + 1745TIP3 H158674 3.429 0.769 3.364 + 1745TIP3 H258675 3.336 0.672 3.293 + 1745TIP3 OH258676 3.239 1.268 3.820 + 1745TIP3 H158677 3.164 1.232 3.767 + 1745TIP3 H258678 3.242 1.203 3.893 + 1745TIP3 OH258679 3.277 1.069 4.019 + 1745TIP3 H158680 3.244 0.983 4.049 + 1745TIP3 H258681 3.294 1.109 4.106 + 1745TIP3 OH258682 3.279 0.375 4.260 + 1745TIP3 H158683 3.319 0.400 4.175 + 1745TIP3 H258684 3.355 0.370 4.320 + 1745TIP3 OH258685 3.355 -0.211 4.192 + 1745TIP3 H158686 3.378 -0.305 4.199 + 1745TIP3 H258687 3.414 -0.174 4.258 + 1746TIP3 OH258688 3.197 0.072 4.304 + 1746TIP3 H158689 3.236 0.033 4.224 + 1746TIP3 H258690 3.223 0.166 4.295 + 1746TIP3 OH258691 3.252 -0.315 3.700 + 1746TIP3 H158692 3.158 -0.320 3.674 + 1746TIP3 H258693 3.292 -0.262 3.628 + 1746TIP3 OH258694 3.417 1.113 4.266 + 1746TIP3 H158695 3.452 1.114 4.357 + 1746TIP3 H258696 3.500 1.092 4.218 + 1746TIP3 OH258697 3.635 1.014 4.128 + 1746TIP3 H158698 3.629 0.919 4.141 + 1746TIP3 H258699 3.728 1.034 4.153 + 1746TIP3 OH258700 3.902 1.063 4.209 + 1746TIP3 H158701 3.951 0.980 4.196 + 1746TIP3 H258702 3.911 1.073 4.305 + 1746TIP3 OH258703 4.268 -0.362 4.132 + 1746TIP3 H158704 4.192 -0.417 4.161 + 1746TIP3 H258705 4.294 -0.409 4.052 + 1746TIP3 OH258706 3.503 -0.512 3.883 + 1746TIP3 H158707 3.415 -0.527 3.843 + 1746TIP3 H258708 3.546 -0.597 3.868 + 1746TIP3 OH258709 3.348 -0.516 3.469 + 1746TIP3 H158710 3.412 -0.456 3.428 + 1746TIP3 H258711 3.325 -0.470 3.551 + 1746TIP3 OH258712 3.930 -0.463 3.887 + 1746TIP3 H158713 4.026 -0.470 3.876 + 1746TIP3 H258714 3.913 -0.530 3.953 + 1746TIP3 OH258715 3.383 1.074 3.592 + 1746TIP3 H158716 3.316 1.062 3.523 + 1746TIP3 H258717 3.376 1.170 3.605 + 1747TIP3 OH258718 3.535 -0.333 3.317 + 1747TIP3 H158719 3.591 -0.398 3.271 + 1747TIP3 H258720 3.595 -0.305 3.389 + 1747TIP3 OH258721 4.084 -0.319 3.576 + 1747TIP3 H158722 4.058 -0.389 3.638 + 1747TIP3 H258723 4.053 -0.239 3.621 + 1747TIP3 OH258724 4.263 1.239 3.403 + 1747TIP3 H158725 4.351 1.277 3.385 + 1747TIP3 H258726 4.249 1.180 3.326 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1748TIP3 H258753 -3.386 2.493 4.321 + 1748TIP3 OH258754 -3.121 1.928 4.323 + 1748TIP3 H158755 -3.074 1.844 4.339 + 1748TIP3 H258756 -3.110 1.940 4.227 + 1748TIP3 OH258757 -3.808 1.717 4.042 + 1748TIP3 H158758 -3.789 1.802 3.997 + 1748TIP3 H258759 -3.841 1.665 3.966 + 1748TIP3 OH258760 -3.018 1.737 3.872 + 1748TIP3 H158761 -2.963 1.693 3.940 + 1748TIP3 H258762 -2.949 1.779 3.817 + 1748TIP3 OH258763 -4.122 1.980 4.109 + 1748TIP3 H158764 -4.073 1.922 4.168 + 1748TIP3 H258765 -4.107 1.937 4.023 + 1748TIP3 OH258766 -3.602 2.126 4.055 + 1748TIP3 H158767 -3.526 2.071 4.083 + 1748TIP3 H258768 -3.647 2.066 3.992 + 1748TIP3 OH258769 -3.174 2.573 3.794 + 1748TIP3 H158770 -3.201 2.554 3.704 + 1748TIP3 H258771 -3.215 2.659 3.811 + 1748TIP3 OH258772 -2.838 1.658 4.073 + 1748TIP3 H158773 -2.856 1.591 4.141 + 1748TIP3 H258774 -2.784 1.719 4.126 + 1748TIP3 OH258775 -3.877 1.810 4.297 + 1748TIP3 H158776 -3.898 1.902 4.279 + 1748TIP3 H258777 -3.886 1.766 4.210 + 1749TIP3 OH258778 -4.183 2.534 3.630 + 1749TIP3 H158779 -4.263 2.556 3.579 + 1749TIP3 H258780 -4.187 2.599 3.703 + 1749TIP3 OH258781 -2.841 2.635 4.259 + 1749TIP3 H158782 -2.904 2.624 4.332 + 1749TIP3 H258783 -2.772 2.689 4.300 + 1749TIP3 OH258784 -3.510 1.355 4.178 + 1749TIP3 H158785 -3.515 1.258 4.182 + 1749TIP3 H258786 -3.593 1.380 4.222 + 1749TIP3 OH258787 -3.019 2.884 3.965 + 1749TIP3 H158788 -2.973 2.804 3.934 + 1749TIP3 H258789 -2.952 2.953 3.945 + 1749TIP3 OH258790 -2.878 2.673 3.822 + 1749TIP3 H158791 -2.922 2.621 3.754 + 1749TIP3 H258792 -2.880 2.609 3.897 + 1749TIP3 OH258793 -3.297 2.241 3.641 + 1749TIP3 H158794 -3.361 2.304 3.602 + 1749TIP3 H258795 -3.222 2.247 3.580 + 1749TIP3 OH258796 -3.267 2.062 3.343 + 1749TIP3 H158797 -3.202 2.093 3.409 + 1749TIP3 H258798 -3.211 2.005 3.289 + 1749TIP3 OH258799 -2.951 2.243 3.748 + 1749TIP3 H158800 -3.010 2.263 3.824 + 1749TIP3 H258801 -2.882 2.190 3.793 + 1749TIP3 OH258802 -3.777 2.325 3.922 + 1749TIP3 H158803 -3.817 2.278 3.847 + 1749TIP3 H258804 -3.722 2.256 3.963 + 1749TIP3 OH258805 -3.684 2.631 4.159 + 1749TIP3 H158806 -3.659 2.599 4.071 + 1749TIP3 H258807 -3.599 2.635 4.205 + 1750TIP3 OH258808 -3.768 2.195 4.270 + 1750TIP3 H158809 -3.698 2.191 4.202 + 1750TIP3 H258810 -3.724 2.241 4.343 + 1750TIP3 OH258811 -3.053 2.196 3.492 + 1750TIP3 H158812 -3.003 2.215 3.575 + 1750TIP3 H258813 -2.999 2.245 3.426 + 1750TIP3 OH258814 -3.303 2.848 3.851 + 1750TIP3 H158815 -3.256 2.878 3.930 + 1750TIP3 H258816 -3.353 2.926 3.825 + 1750TIP3 OH258817 -2.707 1.358 3.443 + 1750TIP3 H158818 -2.790 1.372 3.490 + 1750TIP3 H258819 -2.669 1.447 3.442 + 1750TIP3 OH258820 -3.889 2.191 3.674 + 1750TIP3 H158821 -3.916 2.270 3.625 + 1750TIP3 H258822 -3.963 2.131 3.656 + 1750TIP3 OH258823 -2.566 2.776 3.293 + 1750TIP3 H158824 -2.550 2.868 3.322 + 1750TIP3 H258825 -2.481 2.734 3.315 + 1750TIP3 OH258826 -4.292 2.750 4.216 + 1750TIP3 H158827 -4.208 2.711 4.243 + 1750TIP3 H258828 -4.305 2.811 4.289 + 1750TIP3 OH258829 -3.347 3.118 3.698 + 1750TIP3 H158830 -3.348 3.133 3.602 + 1750TIP3 H258831 -3.347 3.209 3.734 + 1750TIP3 OH258832 -3.977 3.029 3.861 + 1750TIP3 H158833 -3.950 2.991 3.948 + 1750TIP3 H258834 -4.058 2.979 3.846 + 1750TIP3 OH258835 -3.021 3.059 3.415 + 1750TIP3 H158836 -2.962 2.994 3.373 + 1750TIP3 H258837 -3.025 3.025 3.507 + 1751TIP3 OH258838 -3.079 3.004 3.697 + 1751TIP3 H158839 -3.174 3.020 3.714 + 1751TIP3 H258840 -3.062 2.932 3.760 + 1751TIP3 OH258841 -3.753 1.444 4.291 + 1751TIP3 H158842 -3.837 1.430 4.242 + 1751TIP3 H258843 -3.752 1.541 4.305 + 1751TIP3 OH258844 -2.896 2.303 3.291 + 1751TIP3 H158845 -2.907 2.274 3.199 + 1751TIP3 H258846 -2.799 2.313 3.297 + 1751TIP3 OH258847 -3.339 1.680 3.337 + 1751TIP3 H158848 -3.377 1.664 3.424 + 1751TIP3 H258849 -3.369 1.602 3.288 + 1751TIP3 OH258850 -3.767 1.949 3.884 + 1751TIP3 H158851 -3.863 1.945 3.866 + 1751TIP3 H258852 -3.732 1.930 3.795 + 1751TIP3 OH258853 -3.209 2.006 3.763 + 1751TIP3 H158854 -3.249 2.088 3.727 + 1751TIP3 H258855 -3.137 1.991 3.700 + 1751TIP3 OH258856 -3.129 1.947 4.043 + 1751TIP3 H158857 -3.154 2.003 3.968 + 1751TIP3 H258858 -3.105 1.866 3.994 + 1751TIP3 OH258859 -3.699 1.715 3.229 + 1751TIP3 H158860 -3.711 1.683 3.321 + 1751TIP3 H258861 -3.791 1.719 3.200 + 1751TIP3 OH258862 -4.320 1.718 3.938 + 1751TIP3 H158863 -4.297 1.701 4.031 + 1751TIP3 H258864 -4.277 1.645 3.894 + 1751TIP3 OH258865 -4.207 1.755 3.523 + 1751TIP3 H158866 -4.146 1.790 3.457 + 1751TIP3 H258867 -4.288 1.804 3.505 + 1752TIP3 OH258868 -3.499 1.713 3.984 + 1752TIP3 H158869 -3.591 1.701 4.013 + 1752TIP3 H258870 -3.450 1.686 4.063 + 1752TIP3 OH258871 -4.040 1.836 3.846 + 1752TIP3 H158872 -4.118 1.847 3.791 + 1752TIP3 H258873 -4.003 1.752 3.813 + 1752TIP3 OH258874 -3.672 1.862 3.616 + 1752TIP3 H158875 -3.575 1.868 3.630 + 1752TIP3 H258876 -3.691 1.932 3.552 + 1752TIP3 OH258877 -3.055 1.576 4.281 + 1752TIP3 H158878 -3.092 1.609 4.364 + 1752TIP3 H258879 -3.129 1.582 4.219 + 1752TIP3 OH258880 -3.829 1.993 3.391 + 1752TIP3 H158881 -3.883 1.953 3.322 + 1752TIP3 H258882 -3.744 2.009 3.345 + 1752TIP3 OH258883 -3.402 1.949 4.190 + 1752TIP3 H158884 -3.328 1.920 4.134 + 1752TIP3 H258885 -3.396 1.887 4.264 + 1752TIP3 OH258886 -3.873 1.601 3.789 + 1752TIP3 H158887 -3.915 1.514 3.800 + 1752TIP3 H258888 -3.787 1.577 3.750 + 1752TIP3 OH258889 -3.478 2.448 3.582 + 1752TIP3 H158890 -3.555 2.398 3.548 + 1752TIP3 H258891 -3.496 2.452 3.679 + 1752TIP3 OH258892 -3.063 1.729 3.356 + 1752TIP3 H158893 -3.161 1.732 3.355 + 1752TIP3 H258894 -3.039 1.801 3.418 + 1752TIP3 OH258895 -2.999 1.916 3.557 + 1752TIP3 H158896 -2.914 1.897 3.601 + 1752TIP3 H258897 -2.981 2.002 3.517 + 1753TIP3 OH258898 -3.972 2.338 4.150 + 1753TIP3 H158899 -3.904 2.367 4.087 + 1753TIP3 H258900 -3.918 2.283 4.210 + 1753TIP3 OH258901 -3.239 2.584 3.471 + 1753TIP3 H158902 -3.264 2.670 3.512 + 1753TIP3 H258903 -3.313 2.528 3.502 + 1753TIP3 OH258904 -2.718 2.772 3.544 + 1753TIP3 H158905 -2.740 2.697 3.602 + 1753TIP3 H258906 -2.657 2.732 3.482 + 1753TIP3 OH258907 -3.003 2.323 4.248 + 1753TIP3 H158908 -3.092 2.291 4.268 + 1753TIP3 H258909 -2.964 2.247 4.201 + 1753TIP3 OH258910 -3.725 2.713 3.871 + 1753TIP3 H158911 -3.686 2.801 3.876 + 1753TIP3 H258912 -3.820 2.734 3.869 + 1753TIP3 OH258913 -4.151 2.211 3.360 + 1753TIP3 H158914 -4.080 2.267 3.398 + 1753TIP3 H258915 -4.228 2.268 3.376 + 1753TIP3 OH258916 -3.544 2.485 3.858 + 1753TIP3 H158917 -3.577 2.576 3.861 + 1753TIP3 H258918 -3.621 2.435 3.892 + 1753TIP3 OH258919 -3.681 3.007 3.809 + 1753TIP3 H158920 -3.776 3.019 3.821 + 1753TIP3 H258921 -3.647 3.094 3.839 + 1753TIP3 OH258922 -2.971 2.617 3.337 + 1753TIP3 H158923 -2.925 2.571 3.410 + 1753TIP3 H258924 -3.063 2.600 3.365 + 1753TIP3 OH258925 -2.495 3.041 3.389 + 1753TIP3 H158926 -2.425 3.106 3.369 + 1753TIP3 H258927 -2.572 3.102 3.391 + 1754TIP3 OH258928 -2.870 2.479 3.575 + 1754TIP3 H158929 -2.898 2.405 3.632 + 1754TIP3 H258930 -2.773 2.473 3.582 + 1754TIP3 OH258931 -3.545 2.718 3.191 + 1754TIP3 H158932 -3.513 2.638 3.147 + 1754TIP3 H258933 -3.586 2.681 3.271 + 1754TIP3 OH258934 -3.660 2.672 3.463 + 1754TIP3 H158935 -3.612 2.620 3.529 + 1754TIP3 H258936 -3.648 2.763 3.497 + 1754TIP3 OH258937 -3.986 2.413 3.499 + 1754TIP3 H158938 -4.056 2.454 3.556 + 1754TIP3 H258939 -3.937 2.494 3.477 + 1754TIP3 OH258940 -3.148 1.610 3.630 + 1754TIP3 H158941 -3.121 1.664 3.554 + 1754TIP3 H258942 -3.101 1.655 3.703 + 1754TIP3 OH258943 -3.367 2.832 3.526 + 1754TIP3 H158944 -3.447 2.883 3.549 + 1754TIP3 H258945 -3.329 2.885 3.456 + 1754TIP3 OH258946 -3.410 1.809 3.726 + 1754TIP3 H158947 -3.331 1.865 3.740 + 1754TIP3 H258948 -3.435 1.788 3.818 + 1754TIP3 OH258949 -3.350 1.508 3.817 + 1754TIP3 H158950 -3.361 1.569 3.892 + 1754TIP3 H258951 -3.272 1.547 3.773 + 1754TIP3 OH258952 -3.647 2.942 3.527 + 1754TIP3 H158953 -3.652 3.025 3.475 + 1754TIP3 H258954 -3.659 2.975 3.618 + 1754TIP3 OH258955 -3.771 1.612 3.477 + 1754TIP3 H158956 -3.765 1.689 3.537 + 1754TIP3 H258957 -3.692 1.561 3.506 + 1755TIP3 OH258958 -2.898 2.085 4.147 + 1755TIP3 H158959 -2.971 2.039 4.104 + 1755TIP3 H258960 -2.839 2.010 4.173 + 1755TIP3 OH258961 -3.930 2.700 3.381 + 1755TIP3 H158962 -3.855 2.743 3.424 + 1755TIP3 H258963 -3.884 2.644 3.318 + 1755TIP3 OH258964 -4.102 1.917 3.277 + 1755TIP3 H158965 -4.101 2.005 3.318 + 1755TIP3 H258966 -4.194 1.899 3.262 + 1755TIP3 OH258967 -2.764 3.066 4.315 + 1755TIP3 H158968 -2.828 3.049 4.246 + 1755TIP3 H258969 -2.682 3.026 4.284 + 1755TIP3 OH258970 -4.023 1.402 4.168 + 1755TIP3 H158971 -4.059 1.408 4.077 + 1755TIP3 H258972 -4.073 1.327 4.205 + 1755TIP3 OH258973 -4.139 2.770 3.795 + 1755TIP3 H158974 -4.227 2.808 3.804 + 1755TIP3 H258975 -4.103 2.818 3.719 + 1755TIP3 OH258976 -3.323 2.892 3.240 + 1755TIP3 H158977 -3.399 2.830 3.236 + 1755TIP3 H258978 -3.252 2.834 3.208 + 1755TIP3 OH258979 -2.860 2.880 3.251 + 1755TIP3 H158980 -2.846 2.802 3.308 + 1755TIP3 H258981 -2.777 2.883 3.201 + 1755TIP3 OH258982 -3.781 2.461 3.227 + 1755TIP3 H158983 -3.762 2.406 3.305 + 1755TIP3 H258984 -3.695 2.461 3.182 + 1755TIP3 OH258985 -3.257 2.597 3.187 + 1755TIP3 H158986 -3.259 2.593 3.285 + 1755TIP3 H258987 -3.262 2.501 3.167 + 1756TIP3 OH258988 -3.674 2.273 3.459 + 1756TIP3 H158989 -3.734 2.224 3.517 + 1756TIP3 H258990 -3.643 2.203 3.398 + 1756TIP3 OH258991 -3.576 2.070 3.283 + 1756TIP3 H158992 -3.576 2.085 3.187 + 1756TIP3 H258993 -3.480 2.068 3.303 + 1756TIP3 OH258994 -2.616 2.327 3.219 + 1756TIP3 H158995 -2.631 2.281 3.135 + 1756TIP3 H258996 -2.633 2.420 3.194 + 1756TIP3 OH258997 -3.599 3.196 3.396 + 1756TIP3 H158998 -3.504 3.210 3.409 + 1756TIP3 H258999 -3.612 3.243 3.313 + 1756TIP3 OH259000 -4.197 2.689 3.305 + 1756TIP3 H159001 -4.120 2.680 3.365 + 1756TIP3 H259002 -4.220 2.598 3.284 + 1756TIP3 OH259003 -4.275 2.964 4.017 + 1756TIP3 H159004 -4.275 2.874 4.056 + 1756TIP3 H259005 -4.244 3.011 4.096 + 1756TIP3 OH259006 -2.488 3.102 4.272 + 1756TIP3 H159007 -2.512 3.087 4.365 + 1756TIP3 H259008 -2.392 3.095 4.277 + 1756TIP3 OH259009 -2.586 2.468 3.615 + 1756TIP3 H159010 -2.494 2.490 3.638 + 1756TIP3 H259011 -2.600 2.395 3.678 + 1756TIP3 OH259012 -2.543 2.278 3.825 + 1756TIP3 H159013 -2.587 2.192 3.829 + 1756TIP3 H259014 -2.464 2.262 3.881 + 1756TIP3 OH259015 -2.564 2.492 4.331 + 1756TIP3 H159016 -2.508 2.437 4.276 + 1756TIP3 H259017 -2.561 2.577 4.287 + 1757TIP3 OH259018 -2.563 2.193 3.469 + 1757TIP3 H159019 -2.568 2.243 3.386 + 1757TIP3 H259020 -2.516 2.249 3.531 + 1757TIP3 OH259021 -2.714 1.961 3.290 + 1757TIP3 H159022 -2.643 2.012 3.251 + 1757TIP3 H259023 -2.693 1.870 3.266 + 1757TIP3 OH259024 -2.774 2.070 3.886 + 1757TIP3 H159025 -2.753 1.976 3.875 + 1757TIP3 H259026 -2.785 2.080 3.982 + 1757TIP3 OH259027 -4.217 2.352 4.317 + 1757TIP3 H159028 -4.267 2.326 4.239 + 1757TIP3 H259029 -4.141 2.293 4.313 + 1757TIP3 OH259030 -2.735 1.686 3.206 + 1757TIP3 H159031 -2.677 1.647 3.274 + 1757TIP3 H259032 -2.820 1.642 3.220 + 1757TIP3 OH259033 -2.769 1.823 3.710 + 1757TIP3 H159034 -2.731 1.733 3.713 + 1757TIP3 H259035 -2.688 1.874 3.689 + 1757TIP3 OH259036 -2.740 1.884 4.220 + 1757TIP3 H159037 -2.644 1.884 4.233 + 1757TIP3 H259038 -2.773 1.879 4.312 + 1757TIP3 OH259039 -2.709 1.538 3.706 + 1757TIP3 H159040 -2.699 1.509 3.798 + 1757TIP3 H259041 -2.791 1.493 3.680 + 1757TIP3 OH259042 -4.168 1.691 4.194 + 1757TIP3 H159043 -4.170 1.595 4.210 + 1757TIP3 H259044 -4.111 1.719 4.266 + 1757TIP3 OH259045 -4.343 1.945 4.318 + 1757TIP3 H159046 -4.307 1.899 4.241 + 1757TIP3 H259047 -4.300 2.031 4.311 + 1758TIP3 OH259048 -2.527 1.585 3.366 + 1758TIP3 H159049 -2.480 1.509 3.329 + 1758TIP3 H259050 -2.453 1.642 3.397 + 1758TIP3 OH259051 -4.316 1.542 3.648 + 1758TIP3 H159052 -4.401 1.573 3.613 + 1758TIP3 H259053 -4.256 1.613 3.614 + 1758TIP3 OH259054 -2.827 3.088 3.907 + 1758TIP3 H159055 -2.783 3.062 3.823 + 1758TIP3 H259056 -2.755 3.136 3.950 + 1758TIP3 OH259057 -4.155 2.997 4.265 + 1758TIP3 H159058 -4.135 3.003 4.359 + 1758TIP3 H259059 -4.064 3.000 4.231 + 1758TIP3 OH259060 -3.904 2.904 4.106 + 1758TIP3 H159061 -3.924 2.817 4.146 + 1758TIP3 H259062 -3.821 2.928 4.150 + 1758TIP3 OH259063 -3.633 2.956 4.211 + 1758TIP3 H159064 -3.608 2.866 4.185 + 1758TIP3 H259065 -3.627 2.950 4.307 + 1758TIP3 OH259066 -3.300 1.553 4.126 + 1758TIP3 H159067 -3.360 1.480 4.153 + 1758TIP3 H259068 -3.231 1.504 4.077 + 1758TIP3 OH259069 -2.801 1.355 4.157 + 1758TIP3 H159070 -2.726 1.399 4.113 + 1758TIP3 H259071 -2.877 1.389 4.109 + 1758TIP3 OH259072 -2.599 1.452 3.961 + 1758TIP3 H159073 -2.526 1.413 3.911 + 1758TIP3 H259074 -2.564 1.542 3.978 + 1758TIP3 OH259075 -4.108 1.403 3.885 + 1758TIP3 H159076 -4.180 1.371 3.829 + 1758TIP3 H259077 -4.044 1.329 3.877 + 1759TIP3 OH259078 -4.183 1.364 3.467 + 1759TIP3 H159079 -4.133 1.432 3.419 + 1759TIP3 H259080 -4.234 1.419 3.530 + 1759TIP3 OH259081 -3.614 1.395 3.892 + 1759TIP3 H159082 -3.525 1.427 3.871 + 1759TIP3 H259083 -3.607 1.382 3.987 + 1759TIP3 OH259084 -3.068 1.407 4.004 + 1759TIP3 H159085 -3.025 1.381 3.921 + 1759TIP3 H259086 -3.091 1.321 4.042 + 1759TIP3 OH259087 -2.946 1.402 3.617 + 1759TIP3 H159088 -3.028 1.452 3.602 + 1759TIP3 H259089 -2.980 1.312 3.631 + 1759TIP3 OH259090 -4.194 2.966 3.576 + 1759TIP3 H159091 -4.243 2.945 3.495 + 1759TIP3 H259092 -4.181 3.062 3.568 + 1759TIP3 OH259093 -4.003 1.558 3.319 + 1759TIP3 H159094 -3.949 1.492 3.272 + 1759TIP3 H259095 -3.943 1.582 3.392 + 1759TIP3 OH259096 -3.501 1.566 3.584 + 1759TIP3 H159097 -3.462 1.508 3.651 + 1759TIP3 H259098 -3.477 1.653 3.621 + 1759TIP3 OH259099 -3.295 3.145 3.403 + 1759TIP3 H159100 -3.197 3.144 3.401 + 1759TIP3 H259101 -3.314 3.077 3.336 + 1759TIP3 OH259102 -2.645 3.046 3.664 + 1759TIP3 H159103 -2.668 2.962 3.620 + 1759TIP3 H259104 -2.649 3.108 3.589 + 1759TIP3 OH259105 -4.011 3.064 3.271 + 1759TIP3 H159106 -4.040 3.082 3.361 + 1759TIP3 H259107 -3.940 2.999 3.285 + 1760TIP3 OH259108 -1.282 2.288 3.923 + 1760TIP3 H159109 -1.276 2.385 3.928 + 1760TIP3 H259110 -1.351 2.276 3.856 + 1760TIP3 OH259111 -1.380 2.227 4.246 + 1760TIP3 H159112 -1.390 2.154 4.309 + 1760TIP3 H259113 -1.397 2.184 4.161 + 1760TIP3 OH259114 -1.027 2.502 4.042 + 1760TIP3 H159115 -1.066 2.435 4.101 + 1760TIP3 H259116 -0.992 2.562 4.111 + 1760TIP3 OH259117 -2.074 2.651 4.245 + 1760TIP3 H159118 -2.100 2.559 4.223 + 1760TIP3 H259119 -1.979 2.636 4.259 + 1760TIP3 OH259120 -2.295 2.235 3.979 + 1760TIP3 H159121 -2.279 2.152 4.028 + 1760TIP3 H259122 -2.220 2.238 3.920 + 1760TIP3 OH259123 -1.339 3.033 4.110 + 1760TIP3 H159124 -1.262 2.978 4.086 + 1760TIP3 H259125 -1.355 3.009 4.203 + 1760TIP3 OH259126 -1.580 2.454 4.279 + 1760TIP3 H159127 -1.535 2.390 4.222 + 1760TIP3 H259128 -1.501 2.493 4.321 + 1760TIP3 OH259129 -1.231 1.931 4.323 + 1760TIP3 H159130 -1.189 1.845 4.341 + 1760TIP3 H259131 -1.225 1.937 4.225 + 1760TIP3 OH259132 -1.925 1.720 4.043 + 1760TIP3 H159133 -1.906 1.804 3.997 + 1760TIP3 H259134 -1.955 1.667 3.966 + 1760TIP3 OH259135 -1.128 1.740 3.872 + 1760TIP3 H159136 -1.074 1.692 3.938 + 1760TIP3 H259137 -1.059 1.779 3.816 + 1761TIP3 OH259138 -2.220 1.981 4.099 + 1761TIP3 H159139 -2.179 1.913 4.153 + 1761TIP3 H259140 -2.221 1.938 4.011 + 1761TIP3 OH259141 -1.716 2.125 4.054 + 1761TIP3 H159142 -1.642 2.069 4.083 + 1761TIP3 H259143 -1.762 2.067 3.991 + 1761TIP3 OH259144 -1.283 2.575 3.793 + 1761TIP3 H159145 -1.317 2.550 3.707 + 1761TIP3 H259146 -1.329 2.659 3.811 + 1761TIP3 OH259147 -0.946 1.651 4.072 + 1761TIP3 H159148 -0.985 1.602 4.146 + 1761TIP3 H259149 -0.885 1.708 4.121 + 1761TIP3 OH259150 -1.997 1.810 4.299 + 1761TIP3 H159151 -2.011 1.903 4.277 + 1761TIP3 H259152 -1.999 1.766 4.212 + 1761TIP3 OH259153 -2.304 2.545 3.625 + 1761TIP3 H159154 -2.335 2.595 3.548 + 1761TIP3 H259155 -2.294 2.613 3.694 + 1761TIP3 OH259156 -0.945 2.634 4.260 + 1761TIP3 H159157 -1.018 2.623 4.324 + 1761TIP3 H259158 -0.928 2.728 4.275 + 1761TIP3 OH259159 -1.624 1.356 4.178 + 1761TIP3 H159160 -1.628 1.259 4.183 + 1761TIP3 H259161 -1.707 1.380 4.222 + 1761TIP3 OH259162 -1.132 2.883 3.965 + 1761TIP3 H159163 -1.085 2.804 3.932 + 1761TIP3 H259164 -1.067 2.954 3.947 + 1761TIP3 OH259165 -0.988 2.669 3.823 + 1761TIP3 H159166 -1.042 2.622 3.757 + 1761TIP3 H259167 -0.995 2.606 3.898 + 1762TIP3 OH259168 -1.409 2.244 3.643 + 1762TIP3 H159169 -1.477 2.301 3.602 + 1762TIP3 H259170 -1.338 2.246 3.576 + 1762TIP3 OH259171 -1.381 2.062 3.348 + 1762TIP3 H159172 -1.310 2.092 3.407 + 1762TIP3 H259173 -1.332 2.003 3.289 + 1762TIP3 OH259174 -1.061 2.242 3.750 + 1762TIP3 H159175 -1.126 2.263 3.820 + 1762TIP3 H259176 -0.998 2.186 3.800 + 1762TIP3 OH259177 -1.894 2.325 3.923 + 1762TIP3 H159178 -1.934 2.279 3.846 + 1762TIP3 H259179 -1.840 2.254 3.963 + 1762TIP3 OH259180 -1.798 2.643 4.152 + 1762TIP3 H159181 -1.769 2.592 4.076 + 1762TIP3 H259182 -1.721 2.641 4.210 + 1762TIP3 OH259183 -1.880 2.202 4.271 + 1762TIP3 H159184 -1.812 2.193 4.202 + 1762TIP3 H259185 -1.830 2.235 4.346 + 1762TIP3 OH259186 -1.163 2.188 3.494 + 1762TIP3 H159187 -1.116 2.215 3.575 + 1762TIP3 H259188 -1.114 2.240 3.426 + 1762TIP3 OH259189 -1.411 2.851 3.851 + 1762TIP3 H159190 -1.370 2.876 3.935 + 1762TIP3 H259191 -1.474 2.922 3.835 + 1762TIP3 OH259192 -0.823 1.364 3.446 + 1762TIP3 H159193 -0.909 1.377 3.491 + 1762TIP3 H259194 -0.784 1.452 3.454 + 1762TIP3 OH259195 -2.007 2.193 3.682 + 1762TIP3 H159196 -2.031 2.267 3.624 + 1762TIP3 H259197 -2.072 2.126 3.657 + 1763TIP3 OH259198 -0.681 2.775 3.299 + 1763TIP3 H159199 -0.664 2.868 3.322 + 1763TIP3 H259200 -0.595 2.734 3.317 + 1763TIP3 OH259201 -2.388 2.738 4.237 + 1763TIP3 H159202 -2.292 2.730 4.244 + 1763TIP3 H259203 -2.406 2.818 4.288 + 1763TIP3 OH259204 -1.480 3.184 3.711 + 1763TIP3 H159205 -1.481 3.127 3.632 + 1763TIP3 H259206 -1.406 3.241 3.693 + 1763TIP3 OH259207 -2.080 3.032 3.864 + 1763TIP3 H159208 -2.069 2.984 3.949 + 1763TIP3 H259209 -2.162 2.993 3.832 + 1763TIP3 OH259210 -1.137 3.061 3.412 + 1763TIP3 H159211 -1.077 2.997 3.367 + 1763TIP3 H259212 -1.139 3.025 3.503 + 1763TIP3 OH259213 -1.194 3.005 3.697 + 1763TIP3 H159214 -1.288 3.011 3.718 + 1763TIP3 H259215 -1.171 2.932 3.756 + 1763TIP3 OH259216 -1.867 1.445 4.291 + 1763TIP3 H159217 -1.951 1.435 4.242 + 1763TIP3 H259218 -1.863 1.541 4.307 + 1763TIP3 OH259219 -1.009 2.295 3.291 + 1763TIP3 H159220 -1.027 2.274 3.197 + 1763TIP3 H259221 -0.915 2.318 3.287 + 1763TIP3 OH259222 -1.442 1.671 3.346 + 1763TIP3 H159223 -1.493 1.660 3.428 + 1763TIP3 H259224 -1.485 1.604 3.289 + 1763TIP3 OH259225 -1.882 1.950 3.883 + 1763TIP3 H159226 -1.978 1.946 3.866 + 1763TIP3 H259227 -1.848 1.927 3.795 + 1764TIP3 OH259228 -1.321 2.007 3.764 + 1764TIP3 H159229 -1.362 2.088 3.727 + 1764TIP3 H259230 -1.252 1.990 3.697 + 1764TIP3 OH259231 -1.241 1.947 4.042 + 1764TIP3 H159232 -1.269 2.002 3.967 + 1764TIP3 H259233 -1.219 1.865 3.994 + 1764TIP3 OH259234 -1.800 1.715 3.234 + 1764TIP3 H159235 -1.836 1.682 3.319 + 1764TIP3 H259236 -1.880 1.731 3.184 + 1764TIP3 OH259237 -2.455 1.681 3.967 + 1764TIP3 H159238 -2.387 1.684 4.037 + 1764TIP3 H259239 -2.404 1.683 3.885 + 1764TIP3 OH259240 -2.317 1.740 3.477 + 1764TIP3 H159241 -2.249 1.796 3.436 + 1764TIP3 H259242 -2.356 1.805 3.540 + 1764TIP3 OH259243 -1.612 1.715 3.984 + 1764TIP3 H159244 -1.706 1.702 4.008 + 1764TIP3 H259245 -1.567 1.685 4.065 + 1764TIP3 OH259246 -2.162 1.845 3.848 + 1764TIP3 H159247 -2.245 1.868 3.798 + 1764TIP3 H259248 -2.134 1.765 3.801 + 1764TIP3 OH259249 -1.785 1.862 3.620 + 1764TIP3 H159250 -1.688 1.874 3.626 + 1764TIP3 H259251 -1.812 1.924 3.549 + 1764TIP3 OH259252 -1.169 1.580 4.273 + 1764TIP3 H159253 -1.202 1.606 4.361 + 1764TIP3 H259254 -1.249 1.580 4.219 + 1764TIP3 OH259255 -1.938 1.988 3.399 + 1764TIP3 H159256 -2.000 1.963 3.329 + 1764TIP3 H259257 -1.858 2.007 3.347 + 1765TIP3 OH259258 -1.515 1.951 4.191 + 1765TIP3 H159259 -1.444 1.917 4.134 + 1765TIP3 H259260 -1.513 1.887 4.264 + 1765TIP3 OH259261 -1.977 1.612 3.790 + 1765TIP3 H159262 -2.035 1.535 3.801 + 1765TIP3 H259263 -1.901 1.575 3.744 + 1765TIP3 OH259264 -1.594 2.450 3.583 + 1765TIP3 H159265 -1.668 2.397 3.546 + 1765TIP3 H259266 -1.613 2.449 3.679 + 1765TIP3 OH259267 -1.175 1.736 3.355 + 1765TIP3 H159268 -1.273 1.728 3.356 + 1765TIP3 H259269 -1.157 1.804 3.423 + 1765TIP3 OH259270 -1.108 1.912 3.563 + 1765TIP3 H159271 -1.021 1.895 3.605 + 1765TIP3 H259272 -1.095 2.001 3.524 + 1765TIP3 OH259273 -2.090 2.362 4.179 + 1765TIP3 H159274 -2.038 2.371 4.098 + 1765TIP3 H259275 -2.044 2.289 4.222 + 1765TIP3 OH259276 -1.354 2.585 3.472 + 1765TIP3 H159277 -1.375 2.668 3.517 + 1765TIP3 H259278 -1.428 2.528 3.501 + 1765TIP3 OH259279 -0.651 1.912 3.542 + 1765TIP3 H159280 -0.704 1.891 3.463 + 1765TIP3 H259281 -0.637 2.007 3.527 + 1765TIP3 OH259282 -0.832 2.773 3.546 + 1765TIP3 H159283 -0.851 2.696 3.602 + 1765TIP3 H259284 -0.774 2.736 3.478 + 1765TIP3 OH259285 -1.114 2.320 4.251 + 1765TIP3 H159286 -1.206 2.292 4.266 + 1765TIP3 H259287 -1.079 2.244 4.200 + 1766TIP3 OH259288 -1.839 2.715 3.860 + 1766TIP3 H159289 -1.799 2.801 3.879 + 1766TIP3 H259290 -1.933 2.735 3.866 + 1766TIP3 OH259291 -2.244 2.200 3.349 + 1766TIP3 H159292 -2.185 2.265 3.392 + 1766TIP3 H259293 -2.329 2.223 3.388 + 1766TIP3 OH259294 -1.658 2.486 3.862 + 1766TIP3 H159295 -1.696 2.576 3.861 + 1766TIP3 H259296 -1.734 2.434 3.892 + 1766TIP3 OH259297 -1.793 3.023 3.808 + 1766TIP3 H159298 -1.890 3.019 3.820 + 1766TIP3 H259299 -1.769 3.095 3.867 + 1766TIP3 OH259300 -1.083 2.616 3.336 + 1766TIP3 H159301 -1.041 2.570 3.411 + 1766TIP3 H259302 -1.176 2.601 3.360 + 1766TIP3 OH259303 -0.610 3.042 3.390 + 1766TIP3 H159304 -0.539 3.105 3.370 + 1766TIP3 H259305 -0.686 3.102 3.390 + 1766TIP3 OH259306 -0.987 2.476 3.574 + 1766TIP3 H159307 -1.014 2.404 3.634 + 1766TIP3 H259308 -0.890 2.474 3.583 + 1766TIP3 OH259309 -1.658 2.721 3.195 + 1766TIP3 H159310 -1.631 2.642 3.144 + 1766TIP3 H259311 -1.703 2.680 3.271 + 1766TIP3 OH259312 -1.772 2.673 3.463 + 1766TIP3 H159313 -1.728 2.618 3.529 + 1766TIP3 H259314 -1.762 2.763 3.500 + 1766TIP3 OH259315 -2.091 2.416 3.503 + 1766TIP3 H159316 -2.163 2.453 3.557 + 1766TIP3 H259317 -2.045 2.498 3.477 + 1767TIP3 OH259318 -1.259 1.607 3.633 + 1767TIP3 H159319 -1.243 1.663 3.556 + 1767TIP3 H259320 -1.215 1.657 3.704 + 1767TIP3 OH259321 -1.477 2.858 3.537 + 1767TIP3 H159322 -1.570 2.886 3.536 + 1767TIP3 H259323 -1.447 2.882 3.448 + 1767TIP3 OH259324 -1.518 1.807 3.727 + 1767TIP3 H159325 -1.443 1.866 3.744 + 1767TIP3 H259326 -1.550 1.788 3.817 + 1767TIP3 OH259327 -1.464 1.507 3.818 + 1767TIP3 H159328 -1.477 1.571 3.891 + 1767TIP3 H259329 -1.388 1.547 3.771 + 1767TIP3 OH259330 -1.756 2.943 3.530 + 1767TIP3 H159331 -1.767 3.022 3.473 + 1767TIP3 H259332 -1.774 2.979 3.619 + 1767TIP3 OH259333 -1.887 1.610 3.476 + 1767TIP3 H159334 -1.886 1.687 3.535 + 1767TIP3 H259335 -1.806 1.563 3.504 + 1767TIP3 OH259336 -1.010 2.088 4.136 + 1767TIP3 H159337 -1.089 2.038 4.107 + 1767TIP3 H259338 -0.954 2.016 4.172 + 1767TIP3 OH259339 -2.047 2.698 3.380 + 1767TIP3 H159340 -1.972 2.745 3.421 + 1767TIP3 H259341 -1.999 2.646 3.313 + 1767TIP3 OH259342 -2.224 1.926 3.274 + 1767TIP3 H159343 -2.223 2.015 3.314 + 1767TIP3 H259344 -2.318 1.908 3.268 + 1767TIP3 OH259345 -0.875 3.054 4.330 + 1767TIP3 H159346 -0.932 3.096 4.262 + 1767TIP3 H259347 -0.789 3.053 4.286 + 1768TIP3 OH259348 -2.144 1.415 4.172 + 1768TIP3 H159349 -2.159 1.419 4.075 + 1768TIP3 H259350 -2.179 1.328 4.195 + 1768TIP3 OH259351 -2.251 2.768 3.799 + 1768TIP3 H159352 -2.329 2.819 3.826 + 1768TIP3 H259353 -2.216 2.821 3.726 + 1768TIP3 OH259354 -1.438 2.888 3.250 + 1768TIP3 H159355 -1.513 2.828 3.233 + 1768TIP3 H259356 -1.366 2.836 3.209 + 1768TIP3 OH259357 -0.974 2.881 3.253 + 1768TIP3 H159358 -0.959 2.801 3.307 + 1768TIP3 H259359 -0.894 2.884 3.198 + 1768TIP3 OH259360 -1.894 2.466 3.227 + 1768TIP3 H159361 -1.880 2.405 3.302 + 1768TIP3 H259362 -1.808 2.459 3.181 + 1768TIP3 OH259363 -1.371 2.597 3.188 + 1768TIP3 H159364 -1.375 2.591 3.286 + 1768TIP3 H259365 -1.376 2.501 3.166 + 1768TIP3 OH259366 -1.783 2.271 3.464 + 1768TIP3 H159367 -1.849 2.222 3.516 + 1768TIP3 H259368 -1.756 2.203 3.399 + 1768TIP3 OH259369 -1.690 2.073 3.287 + 1768TIP3 H159370 -1.696 2.081 3.190 + 1768TIP3 H259371 -1.594 2.070 3.301 + 1768TIP3 OH259372 -0.740 2.318 3.212 + 1768TIP3 H159373 -0.763 2.288 3.123 + 1768TIP3 H259374 -0.742 2.415 3.198 + 1768TIP3 OH259375 -1.712 3.201 3.399 + 1768TIP3 H159376 -1.616 3.206 3.403 + 1768TIP3 H259377 -1.731 3.241 3.314 + 1769TIP3 OH259378 -2.324 2.639 3.346 + 1769TIP3 H159379 -2.229 2.655 3.365 + 1769TIP3 H259380 -2.320 2.557 3.292 + 1769TIP3 OH259381 -2.418 3.153 3.820 + 1769TIP3 H159382 -2.494 3.118 3.770 + 1769TIP3 H259383 -2.413 3.088 3.894 + 1769TIP3 OH259384 -2.383 2.956 4.019 + 1769TIP3 H159385 -2.409 2.867 4.048 + 1769TIP3 H259386 -2.357 2.992 4.106 + 1769TIP3 OH259387 -0.617 3.083 4.271 + 1769TIP3 H159388 -0.632 3.084 4.368 + 1769TIP3 H259389 -0.524 3.108 4.269 + 1769TIP3 OH259390 -0.701 2.463 3.614 + 1769TIP3 H159391 -0.610 2.495 3.629 + 1769TIP3 H259392 -0.708 2.398 3.687 + 1769TIP3 OH259393 -0.652 2.259 3.814 + 1769TIP3 H159394 -0.720 2.201 3.854 + 1769TIP3 H259395 -0.585 2.266 3.885 + 1769TIP3 OH259396 -0.637 2.500 4.341 + 1769TIP3 H159397 -0.631 2.432 4.271 + 1769TIP3 H259398 -0.693 2.568 4.300 + 1769TIP3 OH259399 -0.632 2.201 3.470 + 1769TIP3 H159400 -0.679 2.231 3.390 + 1769TIP3 H259401 -0.641 2.277 3.528 + 1769TIP3 OH259402 -0.814 1.956 3.289 + 1769TIP3 H159403 -0.769 2.014 3.225 + 1769TIP3 H259404 -0.820 1.873 3.241 + 1769TIP3 OH259405 -0.867 2.070 3.890 + 1769TIP3 H159406 -0.868 1.974 3.877 + 1769TIP3 H259407 -0.900 2.080 3.981 + 1770TIP3 OH259408 -2.377 2.256 4.263 + 1770TIP3 H159409 -2.345 2.283 4.175 + 1770TIP3 H259410 -2.294 2.259 4.314 + 1770TIP3 OH259411 -0.836 1.677 3.182 + 1770TIP3 H159412 -0.784 1.644 3.259 + 1770TIP3 H259413 -0.923 1.639 3.196 + 1770TIP3 OH259414 -0.874 1.816 3.711 + 1770TIP3 H159415 -0.848 1.722 3.724 + 1770TIP3 H259416 -0.793 1.851 3.669 + 1770TIP3 OH259417 -0.853 1.891 4.221 + 1770TIP3 H159418 -0.759 1.871 4.234 + 1770TIP3 H259419 -0.892 1.856 4.303 + 1770TIP3 OH259420 -0.823 1.538 3.732 + 1770TIP3 H159421 -0.806 1.495 3.817 + 1770TIP3 H259422 -0.903 1.489 3.702 + 1770TIP3 OH259423 -2.298 1.668 4.204 + 1770TIP3 H159424 -2.265 1.577 4.213 + 1770TIP3 H259425 -2.240 1.716 4.264 + 1770TIP3 OH259426 -2.462 1.959 4.304 + 1770TIP3 H159427 -2.422 1.923 4.223 + 1770TIP3 H259428 -2.434 2.053 4.296 + 1770TIP3 OH259429 -0.633 1.602 3.366 + 1770TIP3 H159430 -0.602 1.516 3.333 + 1770TIP3 H259431 -0.550 1.643 3.394 + 1770TIP3 OH259432 -2.401 1.554 3.680 + 1770TIP3 H159433 -2.497 1.570 3.681 + 1770TIP3 H259434 -2.368 1.629 3.628 + 1770TIP3 OH259435 -0.943 3.094 3.908 + 1770TIP3 H159436 -0.904 3.068 3.823 + 1770TIP3 H259437 -0.866 3.131 3.953 + 1771TIP3 OH259438 -2.240 2.992 4.262 + 1771TIP3 H159439 -2.204 2.996 4.353 + 1771TIP3 H259440 -2.156 2.974 4.214 + 1771TIP3 OH259441 -2.016 2.904 4.113 + 1771TIP3 H159442 -2.030 2.812 4.142 + 1771TIP3 H259443 -1.927 2.922 4.150 + 1771TIP3 OH259444 -1.750 2.957 4.210 + 1771TIP3 H159445 -1.714 2.869 4.190 + 1771TIP3 H259446 -1.736 2.961 4.305 + 1771TIP3 OH259447 -1.415 1.553 4.127 + 1771TIP3 H159448 -1.475 1.482 4.154 + 1771TIP3 H259449 -1.348 1.504 4.076 + 1771TIP3 OH259450 -0.886 1.346 4.090 + 1771TIP3 H159451 -0.815 1.410 4.109 + 1771TIP3 H259452 -0.967 1.398 4.105 + 1771TIP3 OH259453 -2.175 1.416 3.888 + 1771TIP3 H159454 -2.261 1.405 3.843 + 1771TIP3 H259455 -2.134 1.330 3.872 + 1771TIP3 OH259456 -2.296 1.366 3.476 + 1771TIP3 H159457 -2.247 1.433 3.425 + 1771TIP3 H259458 -2.336 1.421 3.546 + 1771TIP3 OH259459 -1.725 1.392 3.891 + 1771TIP3 H159460 -1.636 1.426 3.873 + 1771TIP3 H259461 -1.723 1.382 3.987 + 1771TIP3 OH259462 -1.181 1.409 4.006 + 1771TIP3 H159463 -1.144 1.382 3.921 + 1771TIP3 H259464 -1.204 1.323 4.046 + 1771TIP3 OH259465 -1.055 1.405 3.617 + 1771TIP3 H159466 -1.138 1.455 3.604 + 1771TIP3 H259467 -1.090 1.316 3.634 + 1772TIP3 OH259468 -2.274 2.961 3.592 + 1772TIP3 H159469 -2.339 2.947 3.522 + 1772TIP3 H259470 -2.280 3.057 3.603 + 1772TIP3 OH259471 -2.119 1.542 3.316 + 1772TIP3 H159472 -2.055 1.489 3.267 + 1772TIP3 H259473 -2.065 1.577 3.389 + 1772TIP3 OH259474 -1.614 1.564 3.582 + 1772TIP3 H159475 -1.578 1.509 3.653 + 1772TIP3 H259476 -1.596 1.652 3.619 + 1772TIP3 OH259477 -1.410 3.148 3.404 + 1772TIP3 H159478 -1.313 3.145 3.402 + 1772TIP3 H259479 -1.431 3.076 3.343 + 1772TIP3 OH259480 -0.762 3.046 3.665 + 1772TIP3 H159481 -0.783 2.962 3.618 + 1772TIP3 H259482 -0.761 3.109 3.590 + 1772TIP3 OH259483 -2.132 3.058 3.272 + 1772TIP3 H159484 -2.158 3.082 3.362 + 1772TIP3 H259485 -2.058 2.997 3.288 + 1772TIP3 OH259486 0.602 2.288 3.924 + 1772TIP3 H159487 0.610 2.385 3.928 + 1772TIP3 H259488 0.536 2.277 3.855 + 1772TIP3 OH259489 0.502 2.227 4.247 + 1772TIP3 H159490 0.494 2.151 4.306 + 1772TIP3 H259491 0.490 2.187 4.160 + 1772TIP3 OH259492 0.857 2.503 4.040 + 1772TIP3 H159493 0.817 2.436 4.098 + 1772TIP3 H259494 0.892 2.562 4.109 + 1772TIP3 OH259495 -0.192 2.643 4.246 + 1772TIP3 H159496 -0.207 2.552 4.214 + 1772TIP3 H259497 -0.095 2.637 4.257 + 1773TIP3 OH259498 -0.495 2.003 3.783 + 1773TIP3 H159499 -0.540 2.088 3.783 + 1773TIP3 H259500 -0.561 1.945 3.741 + 1773TIP3 OH259501 -0.414 2.236 3.981 + 1773TIP3 H159502 -0.394 2.150 4.023 + 1773TIP3 H259503 -0.336 2.247 3.925 + 1773TIP3 OH259504 0.561 3.043 4.112 + 1773TIP3 H159505 0.625 2.976 4.083 + 1773TIP3 H259506 0.536 3.013 4.201 + 1773TIP3 OH259507 0.305 2.456 4.279 + 1773TIP3 H159508 0.347 2.390 4.222 + 1773TIP3 H259509 0.386 2.492 4.320 + 1773TIP3 OH259510 0.654 1.930 4.323 + 1773TIP3 H159511 0.695 1.844 4.339 + 1773TIP3 H259512 0.659 1.938 4.226 + 1773TIP3 OH259513 -0.023 1.714 4.036 + 1773TIP3 H159514 -0.017 1.802 3.996 + 1773TIP3 H259515 -0.061 1.663 3.963 + 1773TIP3 OH259516 0.756 1.742 3.872 + 1773TIP3 H159517 0.813 1.695 3.938 + 1773TIP3 H259518 0.824 1.781 3.815 + 1773TIP3 OH259519 -0.344 1.983 4.099 + 1773TIP3 H159520 -0.298 1.919 4.153 + 1773TIP3 H259521 -0.341 1.940 4.012 + 1773TIP3 OH259522 0.167 2.125 4.057 + 1773TIP3 H159523 0.243 2.070 4.083 + 1773TIP3 H259524 0.124 2.068 3.991 + 1773TIP3 OH259525 0.599 2.573 3.794 + 1773TIP3 H159526 0.572 2.553 3.704 + 1773TIP3 H259527 0.555 2.658 3.810 + 1774TIP3 OH259528 0.937 1.659 4.072 + 1774TIP3 H159529 0.903 1.595 4.137 + 1774TIP3 H259530 0.988 1.718 4.130 + 1774TIP3 OH259531 -0.113 1.796 4.299 + 1774TIP3 H159532 -0.168 1.875 4.297 + 1774TIP3 H259533 -0.144 1.744 4.223 + 1774TIP3 OH259534 -0.428 2.546 3.628 + 1774TIP3 H159535 -0.442 2.595 3.545 + 1774TIP3 H259536 -0.408 2.616 3.693 + 1774TIP3 OH259537 0.932 2.634 4.259 + 1774TIP3 H159538 0.867 2.625 4.332 + 1774TIP3 H259539 0.995 2.695 4.298 + 1774TIP3 OH259540 0.261 1.358 4.184 + 1774TIP3 H159541 0.255 1.262 4.183 + 1774TIP3 H259542 0.174 1.383 4.221 + 1774TIP3 OH259543 0.752 2.884 3.965 + 1774TIP3 H159544 0.798 2.804 3.934 + 1774TIP3 H259545 0.819 2.953 3.945 + 1774TIP3 OH259546 0.896 2.670 3.823 + 1774TIP3 H159547 0.846 2.622 3.755 + 1774TIP3 H259548 0.890 2.606 3.897 + 1774TIP3 OH259549 0.476 2.245 3.643 + 1774TIP3 H159550 0.410 2.300 3.599 + 1774TIP3 H259551 0.548 2.244 3.577 + 1774TIP3 OH259552 0.503 2.060 3.348 + 1774TIP3 H159553 0.575 2.092 3.405 + 1774TIP3 H259554 0.553 2.003 3.287 + 1774TIP3 OH259555 0.826 2.243 3.750 + 1774TIP3 H159556 0.760 2.264 3.819 + 1774TIP3 H259557 0.887 2.186 3.800 + 1775TIP3 OH259558 -0.015 2.323 3.926 + 1775TIP3 H159559 -0.049 2.277 3.846 + 1775TIP3 H259560 0.045 2.256 3.963 + 1775TIP3 OH259561 0.084 2.634 4.158 + 1775TIP3 H159562 0.110 2.599 4.072 + 1775TIP3 H259563 0.167 2.631 4.207 + 1775TIP3 OH259564 0.007 2.213 4.272 + 1775TIP3 H159565 0.070 2.189 4.201 + 1775TIP3 H259566 0.066 2.227 4.346 + 1775TIP3 OH259567 0.721 2.189 3.494 + 1775TIP3 H159568 0.770 2.214 3.575 + 1775TIP3 H259569 0.771 2.239 3.425 + 1775TIP3 OH259570 0.467 2.847 3.853 + 1775TIP3 H159571 0.515 2.880 3.930 + 1775TIP3 H259572 0.418 2.926 3.823 + 1775TIP3 OH259573 1.067 1.361 3.444 + 1775TIP3 H159574 0.979 1.370 3.484 + 1775TIP3 H259575 1.101 1.452 3.450 + 1775TIP3 OH259576 -0.126 2.199 3.686 + 1775TIP3 H159577 -0.142 2.268 3.620 + 1775TIP3 H259578 -0.181 2.126 3.653 + 1775TIP3 OH259579 1.204 2.774 3.298 + 1775TIP3 H159580 1.220 2.868 3.322 + 1775TIP3 H259581 1.291 2.734 3.317 + 1775TIP3 OH259582 -0.480 2.734 4.285 + 1775TIP3 H159583 -0.393 2.736 4.242 + 1775TIP3 H259584 -0.504 2.828 4.278 + 1775TIP3 OH259585 0.422 3.118 3.699 + 1775TIP3 H159586 0.423 3.130 3.603 + 1775TIP3 H259587 0.424 3.209 3.732 + 1776TIP3 OH259588 -0.198 3.033 3.862 + 1776TIP3 H159589 -0.181 2.987 3.946 + 1776TIP3 H259590 -0.281 2.993 3.833 + 1776TIP3 OH259591 0.752 3.060 3.417 + 1776TIP3 H159592 0.810 2.995 3.373 + 1776TIP3 H259593 0.747 3.023 3.508 + 1776TIP3 OH259594 0.692 3.004 3.698 + 1776TIP3 H159595 0.596 3.019 3.713 + 1776TIP3 H259596 0.707 2.931 3.760 + 1776TIP3 OH259597 0.013 1.446 4.283 + 1776TIP3 H159598 -0.072 1.432 4.235 + 1776TIP3 H259599 0.011 1.541 4.301 + 1776TIP3 OH259600 0.878 2.297 3.296 + 1776TIP3 H159601 0.856 2.277 3.203 + 1776TIP3 H259602 0.973 2.318 3.289 + 1776TIP3 OH259603 0.431 1.655 3.325 + 1776TIP3 H159604 0.380 1.639 3.405 + 1776TIP3 H259605 0.392 1.588 3.264 + 1776TIP3 OH259606 0.006 1.956 3.882 + 1776TIP3 H159607 -0.089 1.941 3.866 + 1776TIP3 H259608 0.042 1.929 3.795 + 1776TIP3 OH259609 0.567 2.008 3.764 + 1776TIP3 H159610 0.524 2.088 3.726 + 1776TIP3 H259611 0.634 1.988 3.697 + 1776TIP3 OH259612 0.644 1.947 4.042 + 1776TIP3 H159613 0.617 2.002 3.966 + 1776TIP3 H259614 0.667 1.865 3.994 + 1776TIP3 OH259615 0.064 1.745 3.258 + 1776TIP3 H159616 0.056 1.666 3.314 + 1776TIP3 H259617 0.040 1.711 3.171 + 1777TIP3 OH259618 -0.535 1.717 3.948 + 1777TIP3 H159619 -0.539 1.673 4.035 + 1777TIP3 H259620 -0.527 1.640 3.890 + 1777TIP3 OH259621 -0.415 1.748 3.511 + 1777TIP3 H159622 -0.356 1.796 3.449 + 1777TIP3 H259623 -0.480 1.817 3.532 + 1777TIP3 OH259624 0.275 1.714 3.985 + 1777TIP3 H159625 0.180 1.704 4.006 + 1777TIP3 H259626 0.316 1.684 4.068 + 1777TIP3 OH259627 -0.255 1.839 3.848 + 1777TIP3 H159628 -0.346 1.851 3.817 + 1777TIP3 H259629 -0.230 1.753 3.808 + 1777TIP3 OH259630 0.101 1.870 3.625 + 1777TIP3 H159631 0.198 1.870 3.626 + 1777TIP3 H259632 0.078 1.921 3.546 + 1777TIP3 OH259633 0.721 1.584 4.277 + 1777TIP3 H159634 0.681 1.606 4.362 + 1777TIP3 H259635 0.643 1.577 4.219 + 1777TIP3 OH259636 -0.057 1.997 3.398 + 1777TIP3 H159637 -0.110 1.954 3.330 + 1777TIP3 H259638 0.028 2.006 3.351 + 1777TIP3 OH259639 0.371 1.952 4.194 + 1777TIP3 H159640 0.438 1.918 4.133 + 1777TIP3 H259641 0.373 1.884 4.263 + 1777TIP3 OH259642 -0.092 1.602 3.792 + 1777TIP3 H159643 -0.148 1.523 3.802 + 1777TIP3 H259644 -0.018 1.569 3.740 + 1777TIP3 OH259645 0.289 2.452 3.581 + 1777TIP3 H159646 0.216 2.397 3.546 + 1777TIP3 H259647 0.275 2.447 3.678 + 1778TIP3 OH259648 0.698 1.728 3.362 + 1778TIP3 H159649 0.601 1.725 3.352 + 1778TIP3 H259650 0.715 1.804 3.420 + 1778TIP3 OH259651 0.775 1.914 3.566 + 1778TIP3 H159652 0.864 1.895 3.602 + 1778TIP3 H259653 0.789 1.998 3.520 + 1778TIP3 OH259654 -0.205 2.364 4.177 + 1778TIP3 H159655 -0.152 2.369 4.097 + 1778TIP3 H259656 -0.157 2.292 4.223 + 1778TIP3 OH259657 0.533 2.584 3.475 + 1778TIP3 H159658 0.506 2.670 3.513 + 1778TIP3 H259659 0.459 2.528 3.501 + 1778TIP3 OH259660 1.236 1.911 3.540 + 1778TIP3 H159661 1.181 1.891 3.461 + 1778TIP3 H259662 1.248 2.007 3.525 + 1778TIP3 OH259663 1.057 2.774 3.548 + 1778TIP3 H159664 1.034 2.696 3.602 + 1778TIP3 H259665 1.111 2.736 3.477 + 1778TIP3 OH259666 0.769 2.322 4.249 + 1778TIP3 H159667 0.678 2.291 4.267 + 1778TIP3 H259668 0.807 2.247 4.201 + 1778TIP3 OH259669 0.045 2.714 3.874 + 1778TIP3 H159670 0.087 2.801 3.873 + 1778TIP3 H259671 -0.048 2.737 3.860 + 1778TIP3 OH259672 -0.357 2.199 3.352 + 1778TIP3 H159673 -0.296 2.263 3.392 + 1778TIP3 H259674 -0.443 2.228 3.386 + 1778TIP3 OH259675 0.228 2.485 3.867 + 1778TIP3 H159676 0.194 2.575 3.862 + 1778TIP3 H259677 0.150 2.435 3.894 + 1779TIP3 OH259678 0.089 3.006 3.814 + 1779TIP3 H159679 -0.006 3.023 3.819 + 1779TIP3 H259680 0.126 3.093 3.839 + 1779TIP3 OH259681 0.802 2.617 3.337 + 1779TIP3 H159682 0.845 2.570 3.411 + 1779TIP3 H259683 0.709 2.601 3.361 + 1779TIP3 OH259684 1.277 3.041 3.390 + 1779TIP3 H159685 1.346 3.106 3.368 + 1779TIP3 H259686 1.199 3.101 3.390 + 1779TIP3 OH259687 0.899 2.479 3.576 + 1779TIP3 H159688 0.872 2.405 3.633 + 1779TIP3 H259689 0.996 2.474 3.583 + 1779TIP3 OH259690 0.226 2.721 3.193 + 1779TIP3 H159691 0.255 2.642 3.144 + 1779TIP3 H259692 0.184 2.679 3.271 + 1779TIP3 OH259693 0.108 2.672 3.466 + 1779TIP3 H159694 0.163 2.618 3.526 + 1779TIP3 H259695 0.126 2.763 3.499 + 1779TIP3 OH259696 -0.207 2.416 3.502 + 1779TIP3 H159697 -0.277 2.455 3.558 + 1779TIP3 H259698 -0.157 2.495 3.477 + 1779TIP3 OH259699 0.623 1.608 3.634 + 1779TIP3 H159700 0.643 1.656 3.552 + 1779TIP3 H259701 0.671 1.658 3.701 + 1779TIP3 OH259702 0.406 2.835 3.528 + 1779TIP3 H159703 0.324 2.884 3.545 + 1779TIP3 H259704 0.442 2.881 3.452 + 1779TIP3 OH259705 0.366 1.808 3.727 + 1779TIP3 H159706 0.444 1.865 3.744 + 1779TIP3 H259707 0.335 1.789 3.817 + 1780TIP3 OH259708 0.423 1.507 3.821 + 1780TIP3 H159709 0.408 1.576 3.888 + 1780TIP3 H259710 0.497 1.547 3.770 + 1780TIP3 OH259711 0.125 2.942 3.528 + 1780TIP3 H159712 0.120 3.024 3.474 + 1780TIP3 H259713 0.113 2.977 3.618 + 1780TIP3 OH259714 -0.010 1.598 3.487 + 1780TIP3 H159715 0.000 1.683 3.531 + 1780TIP3 H259716 0.076 1.556 3.503 + 1780TIP3 OH259717 0.874 2.087 4.139 + 1780TIP3 H159718 0.796 2.039 4.107 + 1780TIP3 H259719 0.931 2.014 4.171 + 1780TIP3 OH259720 -0.163 2.697 3.381 + 1780TIP3 H159721 -0.088 2.744 3.421 + 1780TIP3 H259722 -0.114 2.646 3.314 + 1780TIP3 OH259723 -0.353 1.923 3.302 + 1780TIP3 H159724 -0.336 2.017 3.322 + 1780TIP3 H259725 -0.439 1.925 3.261 + 1780TIP3 OH259726 1.008 3.058 4.322 + 1780TIP3 H159727 0.947 3.061 4.247 + 1780TIP3 H259728 1.093 3.032 4.283 + 1780TIP3 OH259729 -0.237 1.421 4.166 + 1780TIP3 H159730 -0.278 1.449 4.083 + 1780TIP3 H259731 -0.315 1.386 4.213 + 1780TIP3 OH259732 -0.368 2.768 3.802 + 1780TIP3 H159733 -0.446 2.823 3.819 + 1780TIP3 H259734 -0.325 2.816 3.731 + 1780TIP3 OH259735 0.448 2.891 3.244 + 1780TIP3 H159736 0.373 2.828 3.234 + 1780TIP3 H259737 0.520 2.836 3.207 + 1781TIP3 OH259738 0.912 2.882 3.255 + 1781TIP3 H159739 0.925 2.800 3.306 + 1781TIP3 H259740 0.992 2.884 3.199 + 1781TIP3 OH259741 -0.009 2.464 3.227 + 1781TIP3 H159742 0.007 2.404 3.302 + 1781TIP3 H259743 0.077 2.459 3.181 + 1781TIP3 OH259744 0.513 2.598 3.190 + 1781TIP3 H159745 0.511 2.592 3.287 + 1781TIP3 H259746 0.511 2.502 3.168 + 1781TIP3 OH259747 0.100 2.274 3.464 + 1781TIP3 H159748 0.040 2.218 3.516 + 1781TIP3 H259749 0.132 2.209 3.398 + 1781TIP3 OH259750 0.197 2.081 3.291 + 1781TIP3 H159751 0.190 2.069 3.195 + 1781TIP3 H259752 0.293 2.069 3.305 + 1781TIP3 OH259753 1.146 2.325 3.220 + 1781TIP3 H159754 1.138 2.281 3.134 + 1781TIP3 H259755 1.136 2.419 3.193 + 1781TIP3 OH259756 0.171 3.196 3.396 + 1781TIP3 H159757 0.267 3.208 3.409 + 1781TIP3 H259758 0.159 3.242 3.312 + 1781TIP3 OH259759 -0.437 2.636 3.351 + 1781TIP3 H159760 -0.342 2.656 3.364 + 1781TIP3 H259761 -0.434 2.558 3.292 + 1781TIP3 OH259762 -0.536 3.155 3.822 + 1781TIP3 H159763 -0.609 3.118 3.769 + 1781TIP3 H259764 -0.527 3.088 3.893 + 1781TIP3 OH259765 -0.498 2.958 4.018 + 1781TIP3 H159766 -0.528 2.869 4.041 + 1781TIP3 H259767 -0.469 2.990 4.105 + 1782TIP3 OH259768 1.278 3.096 4.271 + 1782TIP3 H159769 1.256 3.086 4.365 + 1782TIP3 H259770 1.375 3.098 4.276 + 1782TIP3 OH259771 1.185 2.463 3.614 + 1782TIP3 H159772 1.276 2.494 3.630 + 1782TIP3 H259773 1.176 2.398 3.686 + 1782TIP3 OH259774 1.235 2.257 3.813 + 1782TIP3 H159775 1.165 2.202 3.854 + 1782TIP3 H259776 1.300 2.268 3.886 + 1782TIP3 OH259777 1.207 2.491 4.332 + 1782TIP3 H159778 1.265 2.439 4.275 + 1782TIP3 H259779 1.206 2.577 4.288 + 1782TIP3 OH259780 1.256 2.203 3.470 + 1782TIP3 H159781 1.205 2.230 3.391 + 1782TIP3 H259782 1.244 2.280 3.527 + 1782TIP3 OH259783 1.084 1.960 3.295 + 1782TIP3 H159784 1.111 2.016 3.221 + 1782TIP3 H259785 1.059 1.877 3.250 + 1782TIP3 OH259786 1.023 2.072 3.893 + 1782TIP3 H159787 1.018 1.977 3.876 + 1782TIP3 H259788 0.986 2.080 3.983 + 1782TIP3 OH259789 -0.493 2.278 4.255 + 1782TIP3 H159790 -0.452 2.282 4.166 + 1782TIP3 H259791 -0.417 2.255 4.312 + 1782TIP3 OH259792 1.028 1.695 3.218 + 1782TIP3 H159793 1.086 1.641 3.275 + 1782TIP3 H259794 0.949 1.639 3.206 + 1782TIP3 OH259795 1.012 1.822 3.712 + 1782TIP3 H159796 1.035 1.726 3.716 + 1782TIP3 H259797 1.092 1.857 3.669 + 1783TIP3 OH259798 1.035 1.890 4.219 + 1783TIP3 H159799 1.130 1.887 4.235 + 1783TIP3 H259800 0.997 1.868 4.306 + 1783TIP3 OH259801 1.058 1.543 3.707 + 1783TIP3 H159802 1.069 1.508 3.797 + 1783TIP3 H259803 0.979 1.493 3.677 + 1783TIP3 OH259804 -0.574 1.955 4.304 + 1783TIP3 H159805 -0.536 1.912 4.225 + 1783TIP3 H259806 -0.543 2.046 4.292 + 1783TIP3 OH259807 1.256 1.590 3.375 + 1783TIP3 H159808 1.286 1.509 3.329 + 1783TIP3 H259809 1.338 1.641 3.381 + 1783TIP3 OH259810 -0.515 1.538 3.662 + 1783TIP3 H159811 -0.607 1.562 3.683 + 1783TIP3 H259812 -0.477 1.620 3.626 + 1783TIP3 OH259813 0.945 3.088 3.907 + 1783TIP3 H159814 0.987 3.062 3.823 + 1783TIP3 H259815 1.018 3.135 3.949 + 1783TIP3 OH259816 -0.356 2.986 4.259 + 1783TIP3 H159817 -0.321 2.999 4.350 + 1783TIP3 H259818 -0.271 2.971 4.213 + 1783TIP3 OH259819 -0.133 2.905 4.116 + 1783TIP3 H159820 -0.139 2.811 4.139 + 1783TIP3 H259821 -0.041 2.926 4.145 + 1783TIP3 OH259822 0.130 2.951 4.213 + 1783TIP3 H159823 0.168 2.867 4.184 + 1783TIP3 H259824 0.149 2.948 4.308 + 1783TIP3 OH259825 0.473 1.552 4.132 + 1783TIP3 H159826 0.410 1.481 4.156 + 1783TIP3 H259827 0.536 1.504 4.075 + 1784TIP3 OH259828 0.979 1.359 4.165 + 1784TIP3 H159829 1.043 1.395 4.102 + 1784TIP3 H259830 0.894 1.374 4.121 + 1784TIP3 OH259831 1.178 1.460 3.968 + 1784TIP3 H159832 1.247 1.414 3.918 + 1784TIP3 H259833 1.212 1.552 3.970 + 1784TIP3 OH259834 -0.297 1.417 3.874 + 1784TIP3 H159835 -0.391 1.401 3.850 + 1784TIP3 H259836 -0.261 1.327 3.877 + 1784TIP3 OH259837 -0.419 1.370 3.463 + 1784TIP3 H159838 -0.355 1.433 3.425 + 1784TIP3 H259839 -0.449 1.421 3.542 + 1784TIP3 OH259840 0.163 1.386 3.889 + 1784TIP3 H159841 0.250 1.426 3.873 + 1784TIP3 H259842 0.160 1.385 3.986 + 1784TIP3 OH259843 0.712 1.405 4.009 + 1784TIP3 H159844 0.744 1.383 3.921 + 1784TIP3 H259845 0.680 1.319 4.041 + 1784TIP3 OH259846 0.826 1.403 3.618 + 1784TIP3 H159847 0.743 1.452 3.601 + 1784TIP3 H259848 0.793 1.312 3.628 + 1784TIP3 OH259849 -0.393 2.960 3.595 + 1784TIP3 H159850 -0.454 2.949 3.521 + 1784TIP3 H259851 -0.392 3.056 3.603 + 1784TIP3 OH259852 -0.235 1.551 3.313 + 1784TIP3 H159853 -0.174 1.493 3.263 + 1784TIP3 H259854 -0.175 1.583 3.384 + 1784TIP3 OH259855 0.270 1.563 3.584 + 1784TIP3 H159856 0.309 1.509 3.655 + 1784TIP3 H259857 0.293 1.651 3.615 + 1785TIP3 OH259858 0.476 3.144 3.404 + 1785TIP3 H159859 0.573 3.145 3.401 + 1785TIP3 H259860 0.457 3.077 3.337 + 1785TIP3 OH259861 1.125 3.046 3.664 + 1785TIP3 H159862 1.103 2.961 3.621 + 1785TIP3 H259863 1.123 3.107 3.589 + 1785TIP3 OH259864 -0.249 3.055 3.273 + 1785TIP3 H159865 -0.269 3.083 3.363 + 1785TIP3 H259866 -0.170 2.998 3.286 + 1785TIP3 OH259867 2.479 2.291 3.935 + 1785TIP3 H159868 2.494 2.386 3.926 + 1785TIP3 H259869 2.424 2.272 3.858 + 1785TIP3 OH259870 2.368 2.199 4.253 + 1785TIP3 H159871 2.432 2.132 4.283 + 1785TIP3 H259872 2.388 2.202 4.158 + 1785TIP3 OH259873 2.743 2.505 4.038 + 1785TIP3 H159874 2.703 2.436 4.095 + 1785TIP3 H259875 2.777 2.563 4.109 + 1785TIP3 OH259876 1.702 2.648 4.253 + 1785TIP3 H159877 1.673 2.558 4.226 + 1785TIP3 H259878 1.798 2.634 4.247 + 1785TIP3 OH259879 1.392 2.002 3.783 + 1785TIP3 H159880 1.347 2.088 3.783 + 1785TIP3 H259881 1.326 1.947 3.738 + 1785TIP3 OH259882 1.473 2.238 3.980 + 1785TIP3 H159883 1.490 2.154 4.026 + 1785TIP3 H259884 1.548 2.244 3.921 + 1785TIP3 OH259885 2.448 3.044 4.112 + 1785TIP3 H159886 2.511 2.976 4.084 + 1785TIP3 H259887 2.421 3.014 4.201 + 1786TIP3 OH259888 2.190 2.450 4.286 + 1786TIP3 H159889 2.231 2.398 4.216 + 1786TIP3 H259890 2.272 2.492 4.323 + 1786TIP3 OH259891 2.533 1.942 4.326 + 1786TIP3 H159892 2.569 1.855 4.351 + 1786TIP3 H259893 2.540 1.938 4.229 + 1786TIP3 OH259894 1.845 1.720 4.044 + 1786TIP3 H159895 1.875 1.799 3.996 + 1786TIP3 H259896 1.821 1.663 3.969 + 1786TIP3 OH259897 2.659 1.781 3.872 + 1786TIP3 H159898 2.688 1.706 3.928 + 1786TIP3 H259899 2.731 1.786 3.808 + 1786TIP3 OH259900 1.554 1.985 4.100 + 1786TIP3 H159901 1.591 1.912 4.152 + 1786TIP3 H259902 1.550 1.943 4.012 + 1786TIP3 OH259903 2.052 2.121 4.052 + 1786TIP3 H159904 2.130 2.065 4.066 + 1786TIP3 H259905 2.005 2.068 3.985 + 1786TIP3 OH259906 2.488 2.576 3.793 + 1786TIP3 H159907 2.455 2.550 3.706 + 1786TIP3 H259908 2.441 2.659 3.810 + 1786TIP3 OH259909 2.834 1.657 4.068 + 1786TIP3 H159910 2.795 1.589 4.124 + 1786TIP3 H259911 2.871 1.716 4.136 + 1786TIP3 OH259912 1.770 1.803 4.294 + 1786TIP3 H159913 1.751 1.896 4.276 + 1786TIP3 H259914 1.774 1.763 4.205 + 1786TIP3 OH259915 1.461 2.545 3.627 + 1786TIP3 H159916 1.442 2.594 3.545 + 1786TIP3 H259917 1.477 2.616 3.692 + 1787TIP3 OH259918 2.815 2.637 4.258 + 1787TIP3 H159919 2.752 2.626 4.333 + 1787TIP3 H259920 2.883 2.692 4.298 + 1787TIP3 OH259921 2.159 1.370 4.199 + 1787TIP3 H159922 2.169 1.276 4.180 + 1787TIP3 H259923 2.066 1.380 4.223 + 1787TIP3 OH259924 2.637 2.884 3.967 + 1787TIP3 H159925 2.683 2.804 3.935 + 1787TIP3 H259926 2.703 2.953 3.945 + 1787TIP3 OH259927 2.783 2.670 3.818 + 1787TIP3 H159928 2.727 2.620 3.756 + 1787TIP3 H259929 2.779 2.609 3.895 + 1787TIP3 OH259930 2.362 2.250 3.643 + 1787TIP3 H159931 2.294 2.300 3.595 + 1787TIP3 H259932 2.433 2.244 3.577 + 1787TIP3 OH259933 2.389 2.063 3.349 + 1787TIP3 H159934 2.461 2.092 3.407 + 1787TIP3 H259935 2.436 2.001 3.291 + 1787TIP3 OH259936 2.712 2.244 3.750 + 1787TIP3 H159937 2.646 2.262 3.819 + 1787TIP3 H259938 2.772 2.183 3.797 + 1787TIP3 OH259939 1.869 2.320 3.929 + 1787TIP3 H159940 1.833 2.280 3.847 + 1787TIP3 H259941 1.933 2.253 3.957 + 1787TIP3 OH259942 1.969 2.626 4.163 + 1787TIP3 H159943 1.992 2.601 4.072 + 1787TIP3 H259944 2.056 2.639 4.204 + 1787TIP3 OH259945 1.975 2.185 4.314 + 1787TIP3 H159946 1.968 2.188 4.217 + 1787TIP3 H259947 1.922 2.264 4.339 + 1788TIP3 OH259948 2.606 2.190 3.494 + 1788TIP3 H159949 2.655 2.214 3.575 + 1788TIP3 H259950 2.656 2.242 3.426 + 1788TIP3 OH259951 2.356 2.848 3.852 + 1788TIP3 H159952 2.402 2.882 3.930 + 1788TIP3 H259953 2.306 2.925 3.822 + 1788TIP3 OH259954 2.951 1.359 3.447 + 1788TIP3 H159955 2.860 1.369 3.481 + 1788TIP3 H259956 2.984 1.450 3.453 + 1788TIP3 OH259957 1.759 2.199 3.686 + 1788TIP3 H159958 1.742 2.270 3.621 + 1788TIP3 H259959 1.704 2.128 3.652 + 1788TIP3 OH259960 3.099 2.784 3.292 + 1788TIP3 H159961 3.111 2.872 3.332 + 1788TIP3 H259962 3.182 2.738 3.315 + 1788TIP3 OH259963 1.384 2.736 4.241 + 1788TIP3 H159964 1.481 2.734 4.244 + 1788TIP3 H259965 1.364 2.819 4.285 + 1788TIP3 OH259966 2.311 3.120 3.701 + 1788TIP3 H159967 2.302 3.130 3.606 + 1788TIP3 H259968 2.310 3.211 3.733 + 1788TIP3 OH259969 1.689 3.033 3.862 + 1788TIP3 H159970 1.702 2.986 3.947 + 1788TIP3 H259971 1.605 2.993 3.832 + 1788TIP3 OH259972 2.638 3.053 3.409 + 1788TIP3 H159973 2.669 2.970 3.368 + 1788TIP3 H259974 2.629 3.026 3.503 + 1788TIP3 OH259975 2.579 3.010 3.693 + 1788TIP3 H159976 2.484 3.026 3.710 + 1788TIP3 H259977 2.594 2.937 3.754 + 1789TIP3 OH259978 1.904 1.451 4.294 + 1789TIP3 H159979 1.826 1.425 4.243 + 1789TIP3 H259980 1.892 1.546 4.304 + 1789TIP3 OH259981 2.764 2.302 3.296 + 1789TIP3 H159982 2.740 2.279 3.204 + 1789TIP3 H259983 2.860 2.316 3.286 + 1789TIP3 OH259984 2.326 1.673 3.345 + 1789TIP3 H159985 2.283 1.657 3.431 + 1789TIP3 H259986 2.286 1.603 3.291 + 1789TIP3 OH259987 1.892 1.957 3.883 + 1789TIP3 H159988 1.797 1.940 3.866 + 1789TIP3 H259989 1.930 1.929 3.796 + 1789TIP3 OH259990 2.456 2.017 3.771 + 1789TIP3 H159991 2.408 2.087 3.723 + 1789TIP3 H259992 2.519 1.986 3.704 + 1789TIP3 OH259993 2.525 1.954 4.044 + 1789TIP3 H159994 2.501 2.001 3.961 + 1789TIP3 H259995 2.554 1.870 4.001 + 1789TIP3 OH259996 1.971 1.720 3.236 + 1789TIP3 H159997 1.936 1.682 3.319 + 1789TIP3 H259998 1.891 1.730 3.182 + 1789TIP3 OH259999 1.318 1.709 3.945 + 1789TIP3 H160000 1.377 1.698 4.021 + 1789TIP3 H260001 1.365 1.666 3.872 + 1789TIP3 OH260002 1.475 1.749 3.515 + 1789TIP3 H160003 1.528 1.796 3.448 + 1789TIP3 H260004 1.403 1.813 3.530 + 1789TIP3 OH260005 2.161 1.729 4.008 + 1789TIP3 H160006 2.076 1.684 4.008 + 1789TIP3 H260007 2.219 1.660 4.045 + 1790TIP3 OH260008 1.623 1.834 3.854 + 1790TIP3 H160009 1.541 1.857 3.807 + 1790TIP3 H260010 1.653 1.754 3.807 + 1790TIP3 OH260011 1.985 1.870 3.626 + 1790TIP3 H160012 2.082 1.867 3.632 + 1790TIP3 H260013 1.968 1.924 3.547 + 1790TIP3 OH260014 2.581 1.606 4.256 + 1790TIP3 H160015 2.528 1.597 4.336 + 1790TIP3 H260016 2.526 1.563 4.188 + 1790TIP3 OH260017 1.831 1.993 3.399 + 1790TIP3 H160018 1.772 1.961 3.329 + 1790TIP3 H260019 1.913 2.009 3.348 + 1790TIP3 OH260020 2.260 1.933 4.207 + 1790TIP3 H160021 2.310 1.913 4.126 + 1790TIP3 H260022 2.275 1.850 4.256 + 1790TIP3 OH260023 1.801 1.605 3.788 + 1790TIP3 H160024 1.746 1.526 3.799 + 1790TIP3 H260025 1.881 1.569 3.748 + 1790TIP3 OH260026 2.172 2.455 3.581 + 1790TIP3 H160027 2.101 2.398 3.544 + 1790TIP3 H260028 2.161 2.444 3.677 + 1790TIP3 OH260029 2.596 1.734 3.355 + 1790TIP3 H160030 2.499 1.721 3.361 + 1790TIP3 H260031 2.614 1.798 3.426 + 1790TIP3 OH260032 2.663 1.913 3.561 + 1790TIP3 H160033 2.749 1.897 3.605 + 1790TIP3 H260034 2.677 2.000 3.519 + 1790TIP3 OH260035 1.680 2.364 4.172 + 1790TIP3 H160036 1.735 2.369 4.092 + 1790TIP3 H260037 1.704 2.279 4.209 + 1791TIP3 OH260038 2.420 2.585 3.476 + 1791TIP3 H160039 2.391 2.670 3.516 + 1791TIP3 H260040 2.346 2.526 3.501 + 1791TIP3 OH260041 3.124 1.910 3.536 + 1791TIP3 H160042 3.066 1.893 3.459 + 1791TIP3 H260043 3.136 2.006 3.525 + 1791TIP3 OH260044 2.956 2.784 3.553 + 1791TIP3 H160045 2.919 2.714 3.611 + 1791TIP3 H260046 2.997 2.732 3.483 + 1791TIP3 OH260047 2.648 2.325 4.238 + 1791TIP3 H160048 2.581 2.287 4.295 + 1791TIP3 H260049 2.691 2.246 4.199 + 1791TIP3 OH260050 1.931 2.714 3.877 + 1791TIP3 H160051 1.971 2.803 3.872 + 1791TIP3 H260052 1.838 2.733 3.862 + 1791TIP3 OH260053 1.530 2.195 3.352 + 1791TIP3 H160054 1.588 2.262 3.391 + 1791TIP3 H260055 1.442 2.223 3.383 + 1791TIP3 OH260056 2.114 2.486 3.874 + 1791TIP3 H160057 2.079 2.576 3.862 + 1791TIP3 H260058 2.034 2.436 3.894 + 1791TIP3 OH260059 1.975 3.006 3.813 + 1791TIP3 H160060 1.879 3.021 3.820 + 1791TIP3 H260061 2.010 3.094 3.839 + 1791TIP3 OH260062 2.694 2.627 3.341 + 1791TIP3 H160063 2.729 2.569 3.412 + 1791TIP3 H260064 2.600 2.607 3.352 + 1791TIP3 OH260065 3.123 3.075 3.394 + 1791TIP3 H160066 3.211 3.094 3.357 + 1791TIP3 H260067 3.113 3.158 3.442 + 1792TIP3 OH260068 2.787 2.481 3.573 + 1792TIP3 H160069 2.755 2.408 3.629 + 1792TIP3 H260070 2.883 2.475 3.586 + 1792TIP3 OH260071 2.116 2.722 3.198 + 1792TIP3 H160072 2.134 2.646 3.139 + 1792TIP3 H260073 2.068 2.677 3.270 + 1792TIP3 OH260074 1.994 2.673 3.467 + 1792TIP3 H160075 2.047 2.617 3.526 + 1792TIP3 H260076 2.011 2.763 3.500 + 1792TIP3 OH260077 1.682 2.416 3.506 + 1792TIP3 H160078 1.608 2.454 3.557 + 1792TIP3 H260079 1.728 2.496 3.475 + 1792TIP3 OH260080 2.499 1.593 3.617 + 1792TIP3 H160081 2.535 1.671 3.575 + 1792TIP3 H260082 2.503 1.613 3.713 + 1792TIP3 OH260083 2.296 2.842 3.529 + 1792TIP3 H160084 2.209 2.882 3.544 + 1792TIP3 H260085 2.321 2.876 3.442 + 1792TIP3 OH260086 2.245 1.812 3.732 + 1792TIP3 H160087 2.332 1.853 3.747 + 1792TIP3 H260088 2.228 1.775 3.821 + 1792TIP3 OH260089 2.016 2.942 3.529 + 1792TIP3 H160090 2.004 3.022 3.473 + 1792TIP3 H260091 1.998 2.977 3.618 + 1792TIP3 OH260092 1.886 1.609 3.475 + 1792TIP3 H160093 1.888 1.684 3.537 + 1792TIP3 H260094 1.966 1.560 3.503 + 1792TIP3 OH260095 2.757 2.087 4.142 + 1792TIP3 H160096 2.683 2.036 4.104 + 1792TIP3 H260097 2.816 2.013 4.172 + 1793TIP3 OH260098 1.724 2.697 3.379 + 1793TIP3 H160099 1.799 2.743 3.420 + 1793TIP3 H260100 1.771 2.646 3.312 + 1793TIP3 OH260101 1.537 1.914 3.296 + 1793TIP3 H160102 1.549 2.009 3.316 + 1793TIP3 H260103 1.452 1.914 3.249 + 1793TIP3 OH260104 2.890 3.068 4.315 + 1793TIP3 H160105 2.828 3.047 4.245 + 1793TIP3 H260106 2.975 3.032 4.286 + 1793TIP3 OH260107 1.621 1.417 4.173 + 1793TIP3 H160108 1.611 1.417 4.076 + 1793TIP3 H260109 1.596 1.326 4.196 + 1793TIP3 OH260110 1.520 2.767 3.800 + 1793TIP3 H160111 1.442 2.819 3.824 + 1793TIP3 H260112 1.557 2.820 3.727 + 1793TIP3 OH260113 2.336 2.888 3.247 + 1793TIP3 H160114 2.257 2.831 3.235 + 1793TIP3 H260115 2.403 2.829 3.207 + 1793TIP3 OH260116 2.819 2.881 3.267 + 1793TIP3 H160117 2.805 2.791 3.305 + 1793TIP3 H260118 2.872 2.861 3.188 + 1793TIP3 OH260119 1.877 2.468 3.228 + 1793TIP3 H160120 1.893 2.403 3.299 + 1793TIP3 H260121 1.960 2.459 3.177 + 1793TIP3 OH260122 2.408 2.601 3.191 + 1793TIP3 H160123 2.394 2.587 3.287 + 1793TIP3 H260124 2.397 2.508 3.160 + 1793TIP3 OH260125 1.990 2.270 3.466 + 1793TIP3 H160126 1.925 2.218 3.515 + 1793TIP3 H260127 2.017 2.206 3.398 + 1794TIP3 OH260128 2.081 2.076 3.287 + 1794TIP3 H160129 2.076 2.082 3.189 + 1794TIP3 H260130 2.177 2.070 3.301 + 1794TIP3 OH260131 3.030 2.327 3.218 + 1794TIP3 H160132 3.021 2.280 3.134 + 1794TIP3 H260133 3.024 2.420 3.189 + 1794TIP3 OH260134 2.057 3.198 3.398 + 1794TIP3 H160135 2.152 3.211 3.404 + 1794TIP3 H260136 2.039 3.239 3.312 + 1794TIP3 OH260137 1.448 2.636 3.351 + 1794TIP3 H160138 1.544 2.655 3.362 + 1794TIP3 H260139 1.450 2.558 3.292 + 1794TIP3 OH260140 1.352 3.154 3.821 + 1794TIP3 H160141 1.277 3.118 3.769 + 1794TIP3 H260142 1.359 3.088 3.893 + 1794TIP3 OH260143 1.388 2.956 4.019 + 1794TIP3 H160144 1.360 2.867 4.047 + 1794TIP3 H260145 1.413 2.992 4.106 + 1794TIP3 OH260146 3.165 3.099 4.273 + 1794TIP3 H160147 3.145 3.085 4.367 + 1794TIP3 H260148 3.262 3.097 4.276 + 1794TIP3 OH260149 3.073 2.463 3.613 + 1794TIP3 H160150 3.163 2.493 3.632 + 1794TIP3 H260151 3.061 2.398 3.685 + 1794TIP3 OH260152 3.119 2.258 3.812 + 1794TIP3 H160153 3.050 2.202 3.854 + 1794TIP3 H260154 3.186 2.267 3.884 + 1794TIP3 OH260155 3.087 2.490 4.327 + 1794TIP3 H160156 3.152 2.438 4.278 + 1794TIP3 H260157 3.095 2.578 4.289 + 1795TIP3 OH260158 3.145 2.203 3.468 + 1795TIP3 H160159 3.091 2.231 3.391 + 1795TIP3 H260160 3.130 2.277 3.529 + 1795TIP3 OH260161 2.971 1.959 3.294 + 1795TIP3 H160162 2.996 2.017 3.220 + 1795TIP3 H260163 2.945 1.877 3.249 + 1795TIP3 OH260164 2.909 2.071 3.893 + 1795TIP3 H160165 2.901 1.976 3.876 + 1795TIP3 H260166 2.871 2.079 3.982 + 1795TIP3 OH260167 1.394 2.253 4.261 + 1795TIP3 H160168 1.427 2.284 4.175 + 1795TIP3 H260169 1.473 2.258 4.318 + 1795TIP3 OH260170 2.918 1.692 3.213 + 1795TIP3 H160171 2.973 1.644 3.277 + 1795TIP3 H260172 2.835 1.642 3.212 + 1795TIP3 OH260173 2.901 1.821 3.707 + 1795TIP3 H160174 2.922 1.726 3.714 + 1795TIP3 H260175 2.983 1.854 3.666 + 1795TIP3 OH260176 2.920 1.892 4.221 + 1795TIP3 H160177 3.015 1.883 4.238 + 1795TIP3 H260178 2.881 1.863 4.305 + 1795TIP3 OH260179 2.944 1.540 3.710 + 1795TIP3 H160180 2.941 1.508 3.801 + 1795TIP3 H260181 2.864 1.495 3.674 + 1795TIP3 OH260182 1.467 1.672 4.194 + 1795TIP3 H160183 1.495 1.579 4.201 + 1795TIP3 H260184 1.531 1.712 4.255 + 1795TIP3 OH260185 1.313 1.958 4.304 + 1795TIP3 H160186 1.352 1.921 4.223 + 1795TIP3 H260187 1.339 2.052 4.297 + 1796TIP3 OH260188 3.141 1.591 3.374 + 1796TIP3 H160189 3.172 1.510 3.330 + 1796TIP3 H260190 3.223 1.642 3.383 + 1796TIP3 OH260191 1.365 1.566 3.696 + 1796TIP3 H160192 1.271 1.567 3.671 + 1796TIP3 H260193 1.407 1.623 3.629 + 1796TIP3 OH260194 2.828 3.091 3.908 + 1796TIP3 H160195 2.871 3.069 3.823 + 1796TIP3 H260196 2.900 3.135 3.954 + 1796TIP3 OH260197 1.531 2.990 4.263 + 1796TIP3 H160198 1.568 2.997 4.354 + 1796TIP3 H260199 1.615 2.974 4.214 + 1796TIP3 OH260200 1.753 2.906 4.116 + 1796TIP3 H160201 1.742 2.812 4.141 + 1796TIP3 H260202 1.844 2.924 4.147 + 1796TIP3 OH260203 2.018 2.953 4.213 + 1796TIP3 H160204 2.055 2.868 4.185 + 1796TIP3 H260205 2.033 2.950 4.308 + 1796TIP3 OH260206 2.816 1.374 4.145 + 1796TIP3 H160207 2.898 1.404 4.102 + 1796TIP3 H260208 2.749 1.385 4.075 + 1796TIP3 OH260209 3.069 1.453 3.979 + 1796TIP3 H160210 3.131 1.419 3.913 + 1796TIP3 H260211 3.086 1.549 3.978 + 1796TIP3 OH260212 1.594 1.416 3.889 + 1796TIP3 H160213 1.508 1.402 3.845 + 1796TIP3 H260214 1.637 1.329 3.874 + 1796TIP3 OH260215 1.477 1.364 3.477 + 1796TIP3 H160216 1.528 1.430 3.426 + 1796TIP3 H260217 1.436 1.419 3.545 + 1797TIP3 OH260218 2.054 1.410 3.893 + 1797TIP3 H160219 2.149 1.424 3.879 + 1797TIP3 H260220 2.055 1.377 3.983 + 1797TIP3 OH260221 2.711 1.407 3.606 + 1797TIP3 H160222 2.628 1.459 3.607 + 1797TIP3 H260223 2.679 1.323 3.643 + 1797TIP3 OH260224 1.495 2.960 3.594 + 1797TIP3 H160225 1.432 2.947 3.522 + 1797TIP3 H260226 1.492 3.056 3.602 + 1797TIP3 OH260227 1.649 1.547 3.322 + 1797TIP3 H160228 1.708 1.491 3.270 + 1797TIP3 H260229 1.709 1.579 3.391 + 1797TIP3 OH260230 2.153 1.564 3.589 + 1797TIP3 H160231 2.192 1.496 3.646 + 1797TIP3 H260232 2.186 1.646 3.630 + 1797TIP3 OH260233 2.365 3.152 3.392 + 1797TIP3 H160234 2.460 3.138 3.402 + 1797TIP3 H260235 2.340 3.076 3.337 + 1797TIP3 OH260236 2.996 3.060 3.667 + 1797TIP3 H160237 2.981 2.974 3.621 + 1797TIP3 H260238 2.999 3.122 3.593 + 1797TIP3 OH260239 1.639 3.056 3.273 + 1797TIP3 H160240 1.614 3.082 3.363 + 1797TIP3 H260241 1.714 2.997 3.287 + 1797TIP3 OH260242 4.267 2.212 4.209 + 1797TIP3 H160243 4.252 2.169 4.294 + 1797TIP3 H260244 4.220 2.154 4.147 + 1797TIP3 OH260245 3.583 2.650 4.246 + 1797TIP3 H160246 3.558 2.558 4.224 + 1797TIP3 H260247 3.680 2.636 4.254 + 1798TIP3 OH260248 3.281 2.001 3.776 + 1798TIP3 H160249 3.236 2.087 3.787 + 1798TIP3 H260250 3.210 1.945 3.744 + 1798TIP3 OH260251 3.355 2.235 3.974 + 1798TIP3 H160252 3.376 2.157 4.029 + 1798TIP3 H260253 3.438 2.247 3.927 + 1798TIP3 OH260254 4.063 2.428 4.283 + 1798TIP3 H160255 4.116 2.385 4.214 + 1798TIP3 H260256 4.136 2.477 4.327 + 1798TIP3 OH260257 3.741 1.716 4.041 + 1798TIP3 H160258 3.753 1.803 3.998 + 1798TIP3 H260259 3.705 1.666 3.965 + 1798TIP3 OH260260 3.436 1.986 4.099 + 1798TIP3 H160261 3.476 1.919 4.156 + 1798TIP3 H260262 3.433 1.939 4.014 + 1798TIP3 OH260263 3.944 2.124 4.053 + 1798TIP3 H160264 4.015 2.063 4.081 + 1798TIP3 H260265 3.894 2.066 3.993 + 1798TIP3 OH260266 3.664 1.809 4.300 + 1798TIP3 H160267 3.646 1.901 4.280 + 1798TIP3 H260268 3.656 1.765 4.214 + 1798TIP3 OH260269 3.348 2.545 3.626 + 1798TIP3 H160270 3.325 2.596 3.547 + 1798TIP3 H260271 3.364 2.614 3.694 + 1798TIP3 OH260272 4.035 1.354 4.176 + 1798TIP3 H160273 4.025 1.257 4.182 + 1798TIP3 H260274 3.954 1.385 4.220 + 1798TIP3 OH260275 4.266 2.230 3.631 + 1798TIP3 H160276 4.198 2.298 3.617 + 1798TIP3 H260277 4.330 2.254 3.564 + 1799TIP3 OH260278 4.291 2.078 3.351 + 1799TIP3 H160279 4.366 2.072 3.411 + 1799TIP3 H260280 4.295 1.997 3.299 + 1799TIP3 OH260281 3.758 2.321 3.927 + 1799TIP3 H160282 3.724 2.277 3.847 + 1799TIP3 H260283 3.820 2.254 3.962 + 1799TIP3 OH260284 3.855 2.632 4.155 + 1799TIP3 H160285 3.893 2.592 4.075 + 1799TIP3 H260286 3.932 2.643 4.213 + 1799TIP3 OH260287 3.790 2.185 4.281 + 1799TIP3 H160288 3.849 2.196 4.204 + 1799TIP3 H260289 3.815 2.259 4.339 + 1799TIP3 OH260290 4.249 2.842 3.846 + 1799TIP3 H160291 4.300 2.887 3.917 + 1799TIP3 H260292 4.200 2.916 3.808 + 1799TIP3 OH260293 3.651 2.193 3.680 + 1799TIP3 H160294 3.629 2.269 3.623 + 1799TIP3 H260295 3.584 2.129 3.654 + 1799TIP3 OH260296 3.270 2.739 4.232 + 1799TIP3 H160297 3.365 2.731 4.245 + 1799TIP3 H260298 3.249 2.815 4.288 + 1799TIP3 OH260299 4.166 3.128 3.684 + 1799TIP3 H160300 4.217 3.124 3.602 + 1799TIP3 H260301 4.206 3.202 3.732 + 1799TIP3 OH260302 3.573 3.031 3.863 + 1799TIP3 H160303 3.592 2.987 3.949 + 1799TIP3 H260304 3.488 2.991 3.840 + 1799TIP3 OH260305 3.790 1.444 4.290 + 1799TIP3 H160306 3.706 1.434 4.243 + 1799TIP3 H260307 3.794 1.540 4.308 + 1800TIP3 OH260308 4.233 1.678 3.349 + 1800TIP3 H160309 4.173 1.664 3.423 + 1800TIP3 H260310 4.201 1.611 3.287 + 1800TIP3 OH260311 3.777 1.952 3.884 + 1800TIP3 H160312 3.681 1.942 3.869 + 1800TIP3 H260313 3.810 1.929 3.795 + 1800TIP3 OH260314 4.279 1.999 3.833 + 1800TIP3 H160315 4.271 2.093 3.811 + 1800TIP3 H260316 4.371 1.992 3.864 + 1800TIP3 OH260317 3.865 1.717 3.235 + 1800TIP3 H160318 3.823 1.684 3.317 + 1800TIP3 H260319 3.787 1.736 3.180 + 1800TIP3 OH260320 3.210 1.719 3.939 + 1800TIP3 H160321 3.257 1.699 4.022 + 1800TIP3 H260322 3.251 1.661 3.873 + 1800TIP3 OH260323 3.360 1.747 3.512 + 1800TIP3 H160324 3.413 1.797 3.447 + 1800TIP3 H260325 3.290 1.812 3.532 + 1800TIP3 OH260326 4.045 1.696 3.986 + 1800TIP3 H160327 3.950 1.697 4.009 + 1800TIP3 H260328 4.085 1.698 4.073 + 1800TIP3 OH260329 3.511 1.834 3.852 + 1800TIP3 H160330 3.426 1.859 3.812 + 1800TIP3 H260331 3.535 1.753 3.803 + 1800TIP3 OH260332 3.874 1.860 3.618 + 1800TIP3 H160333 3.969 1.880 3.624 + 1800TIP3 H260334 3.843 1.922 3.549 + 1800TIP3 OH260335 3.723 1.988 3.398 + 1800TIP3 H160336 3.661 1.963 3.328 + 1800TIP3 H260337 3.803 2.004 3.346 + 1801TIP3 OH260338 4.131 1.944 4.152 + 1801TIP3 H160339 4.198 1.901 4.097 + 1801TIP3 H260340 4.150 1.906 4.240 + 1801TIP3 OH260341 3.685 1.604 3.784 + 1801TIP3 H160342 3.626 1.528 3.800 + 1801TIP3 H260343 3.763 1.561 3.747 + 1801TIP3 OH260344 4.069 2.437 3.585 + 1801TIP3 H160345 3.993 2.387 3.549 + 1801TIP3 H260346 4.047 2.444 3.681 + 1801TIP3 OH260347 3.563 2.355 4.173 + 1801TIP3 H160348 3.625 2.369 4.099 + 1801TIP3 H260349 3.609 2.285 4.223 + 1801TIP3 OH260350 4.287 2.574 3.483 + 1801TIP3 H160351 4.262 2.664 3.513 + 1801TIP3 H260352 4.210 2.523 3.515 + 1801TIP3 OH260353 3.816 2.713 3.865 + 1801TIP3 H160354 3.858 2.799 3.876 + 1801TIP3 H260355 3.722 2.736 3.867 + 1801TIP3 OH260356 3.415 2.195 3.350 + 1801TIP3 H160357 3.473 2.262 3.391 + 1801TIP3 H260358 3.328 2.220 3.386 + 1801TIP3 OH260359 3.994 2.482 3.857 + 1801TIP3 H160360 3.965 2.575 3.860 + 1801TIP3 H260361 3.916 2.436 3.891 + 1801TIP3 OH260362 3.860 3.008 3.792 + 1801TIP3 H160363 3.766 3.018 3.815 + 1801TIP3 H260364 3.899 3.088 3.832 + 1801TIP3 OH260365 3.993 2.733 3.203 + 1801TIP3 H160366 4.023 2.671 3.133 + 1801TIP3 H260367 3.960 2.671 3.269 + 1802TIP3 OH260368 3.876 2.677 3.484 + 1802TIP3 H160369 3.930 2.618 3.537 + 1802TIP3 H260370 3.911 2.764 3.507 + 1802TIP3 OH260371 3.565 2.414 3.504 + 1802TIP3 H160372 3.494 2.455 3.559 + 1802TIP3 H260373 3.615 2.493 3.477 + 1802TIP3 OH260374 4.170 2.832 3.521 + 1802TIP3 H160375 4.101 2.894 3.545 + 1802TIP3 H260376 4.212 2.874 3.445 + 1802TIP3 OH260377 4.141 1.795 3.726 + 1802TIP3 H160378 4.202 1.865 3.758 + 1802TIP3 H260379 4.101 1.772 3.812 + 1802TIP3 OH260380 4.191 1.505 3.844 + 1802TIP3 H160381 4.165 1.582 3.898 + 1802TIP3 H260382 4.271 1.538 3.799 + 1802TIP3 OH260383 3.890 2.989 3.513 + 1802TIP3 H160384 3.965 3.048 3.507 + 1802TIP3 H260385 3.874 2.989 3.610 + 1802TIP3 OH260386 3.769 1.610 3.472 + 1802TIP3 H160387 3.768 1.685 3.534 + 1802TIP3 H260388 3.849 1.562 3.498 + 1802TIP3 OH260389 3.611 2.701 3.378 + 1802TIP3 H160390 3.689 2.736 3.426 + 1802TIP3 H260391 3.657 2.647 3.312 + 1802TIP3 OH260392 3.424 1.915 3.293 + 1802TIP3 H160393 3.435 2.010 3.316 + 1802TIP3 H260394 3.336 1.914 3.253 + 1802TIP3 OH260395 3.516 1.413 4.170 + 1802TIP3 H160396 3.498 1.419 4.074 + 1802TIP3 H260397 3.473 1.330 4.195 + 1803TIP3 OH260398 3.401 2.765 3.795 + 1803TIP3 H160399 3.328 2.822 3.825 + 1803TIP3 H260400 3.444 2.821 3.728 + 1803TIP3 OH260401 4.228 2.887 3.242 + 1803TIP3 H160402 4.147 2.834 3.226 + 1803TIP3 H260403 4.293 2.821 3.214 + 1803TIP3 OH260404 3.757 2.471 3.234 + 1803TIP3 H160405 3.778 2.405 3.301 + 1803TIP3 H260406 3.838 2.465 3.178 + 1803TIP3 OH260407 4.261 2.600 3.188 + 1803TIP3 H160408 4.276 2.601 3.284 + 1803TIP3 H260409 4.242 2.506 3.172 + 1803TIP3 OH260410 3.872 2.269 3.462 + 1803TIP3 H160411 3.808 2.218 3.515 + 1803TIP3 H260412 3.901 2.202 3.398 + 1803TIP3 OH260413 3.979 2.070 3.288 + 1803TIP3 H160414 3.969 2.079 3.191 + 1803TIP3 H260415 4.074 2.088 3.299 + 1803TIP3 OH260416 3.333 2.641 3.345 + 1803TIP3 H160417 3.428 2.654 3.363 + 1803TIP3 H260418 3.334 2.557 3.293 + 1803TIP3 OH260419 3.238 3.144 3.810 + 1803TIP3 H160420 3.151 3.118 3.775 + 1803TIP3 H260421 3.244 3.087 3.889 + 1803TIP3 OH260422 3.274 2.955 4.018 + 1803TIP3 H160423 3.248 2.867 4.049 + 1803TIP3 H260424 3.301 2.992 4.104 + 1803TIP3 OH260425 3.280 2.257 4.262 + 1803TIP3 H160426 3.316 2.286 4.177 + 1803TIP3 H260427 3.359 2.256 4.319 + 1804TIP3 OH260428 3.355 1.674 4.193 + 1804TIP3 H160429 3.381 1.582 4.204 + 1804TIP3 H260430 3.412 1.717 4.258 + 1804TIP3 OH260431 3.197 1.959 4.304 + 1804TIP3 H160432 3.235 1.922 4.223 + 1804TIP3 H260433 3.223 2.053 4.297 + 1804TIP3 OH260434 3.251 1.561 3.694 + 1804TIP3 H160435 3.156 1.565 3.674 + 1804TIP3 H260436 3.290 1.623 3.628 + 1804TIP3 OH260437 3.418 2.994 4.261 + 1804TIP3 H160438 3.451 2.998 4.353 + 1804TIP3 H260439 3.502 2.974 4.215 + 1804TIP3 OH260440 3.640 2.904 4.112 + 1804TIP3 H160441 3.627 2.812 4.142 + 1804TIP3 H260442 3.729 2.923 4.148 + 1804TIP3 OH260443 3.900 2.950 4.213 + 1804TIP3 H160444 3.942 2.867 4.188 + 1804TIP3 H260445 3.921 2.954 4.307 + 1804TIP3 OH260446 4.268 1.521 4.133 + 1804TIP3 H160447 4.190 1.468 4.158 + 1804TIP3 H260448 4.298 1.476 4.054 + 1804TIP3 OH260449 3.482 1.417 3.886 + 1804TIP3 H160450 3.395 1.403 3.844 + 1804TIP3 H260451 3.522 1.329 3.873 + 1804TIP3 OH260452 3.364 1.364 3.477 + 1804TIP3 H160453 3.411 1.432 3.426 + 1804TIP3 H260454 3.320 1.417 3.546 + 1804TIP3 OH260455 3.935 1.393 3.885 + 1804TIP3 H160456 4.026 1.427 3.874 + 1804TIP3 H260457 3.931 1.385 3.981 + 1805TIP3 OH260458 3.381 2.960 3.583 + 1805TIP3 H160459 3.310 2.947 3.519 + 1805TIP3 H260460 3.371 3.054 3.605 + 1805TIP3 OH260461 3.533 1.548 3.319 + 1805TIP3 H160462 3.594 1.491 3.269 + 1805TIP3 H260463 3.591 1.581 3.389 + 1805TIP3 OH260464 4.068 1.566 3.577 + 1805TIP3 H160465 4.068 1.506 3.653 + 1805TIP3 H260466 4.058 1.652 3.620 + 1805TIP3 OH260467 4.232 3.138 3.391 + 1805TIP3 H160468 4.323 3.173 3.391 + 1805TIP3 H260469 4.237 3.068 3.324 + 1805TIP3 OH260470 3.530 3.062 3.276 + 1805TIP3 H160471 3.501 3.077 3.367 + 1805TIP3 H260472 3.590 2.987 3.286 + 1805TIP3 OH260473 -3.162 4.193 3.895 + 1805TIP3 H160474 -3.180 4.286 3.914 + 1805TIP3 H260475 -3.239 4.168 3.842 + 1805TIP3 OH260476 -3.301 4.120 4.252 + 1805TIP3 H160477 -3.277 4.045 4.308 + 1805TIP3 H260478 -3.286 4.086 4.163 + 1805TIP3 OH260479 -4.216 3.905 3.664 + 1805TIP3 H160480 -4.245 3.990 3.699 + 1805TIP3 H260481 -4.300 3.858 3.656 + 1805TIP3 OH260482 -4.194 4.118 3.958 + 1805TIP3 H160483 -4.185 4.046 4.023 + 1805TIP3 H260484 -4.102 4.129 3.932 + 1805TIP3 OH260485 -3.119 3.817 4.323 + 1805TIP3 H160486 -3.075 3.732 4.342 + 1805TIP3 H260487 -3.111 3.823 4.226 + 1806TIP3 OH260488 -3.800 3.601 4.038 + 1806TIP3 H160489 -3.788 3.688 3.997 + 1806TIP3 H260490 -3.840 3.550 3.965 + 1806TIP3 OH260491 -3.017 3.623 3.865 + 1806TIP3 H160492 -2.965 3.583 3.938 + 1806TIP3 H260493 -2.947 3.668 3.817 + 1806TIP3 OH260494 -4.121 3.872 4.096 + 1806TIP3 H160495 -4.082 3.822 4.168 + 1806TIP3 H260496 -4.105 3.813 4.020 + 1806TIP3 OH260497 -3.601 4.013 4.058 + 1806TIP3 H160498 -3.528 3.954 4.086 + 1806TIP3 H260499 -3.650 3.955 3.997 + 1806TIP3 OH260500 -2.843 3.565 4.067 + 1806TIP3 H160501 -2.844 3.475 4.107 + 1806TIP3 H260502 -2.791 3.612 4.135 + 1806TIP3 OH260503 -3.863 3.711 4.296 + 1806TIP3 H160504 -3.909 3.793 4.278 + 1806TIP3 H260505 -3.893 3.651 4.226 + 1806TIP3 OH260506 -3.508 3.240 4.178 + 1806TIP3 H160507 -3.517 3.144 4.183 + 1806TIP3 H260508 -3.592 3.269 4.220 + 1806TIP3 OH260509 -3.309 4.144 3.636 + 1806TIP3 H160510 -3.372 4.180 3.573 + 1806TIP3 H260511 -3.230 4.133 3.580 + 1806TIP3 OH260512 -3.267 3.943 3.353 + 1806TIP3 H160513 -3.195 3.978 3.408 + 1806TIP3 H260514 -3.217 3.892 3.288 + 1806TIP3 OH260515 -2.937 4.141 3.738 + 1806TIP3 H160516 -3.003 4.162 3.807 + 1806TIP3 H260517 -2.871 4.090 3.789 + 1807TIP3 OH260518 -3.794 4.211 3.934 + 1807TIP3 H160519 -3.807 4.182 3.842 + 1807TIP3 H260520 -3.712 4.163 3.958 + 1807TIP3 OH260521 -3.766 4.104 4.281 + 1807TIP3 H160522 -3.697 4.080 4.217 + 1807TIP3 H260523 -3.715 4.136 4.357 + 1807TIP3 OH260524 -3.055 4.073 3.501 + 1807TIP3 H160525 -2.999 4.101 3.578 + 1807TIP3 H260526 -3.008 4.119 3.427 + 1807TIP3 OH260527 -2.706 3.246 3.443 + 1807TIP3 H160528 -2.793 3.256 3.486 + 1807TIP3 H260529 -2.670 3.336 3.450 + 1807TIP3 OH260530 -3.899 4.089 3.682 + 1807TIP3 H160531 -3.914 4.165 3.622 + 1807TIP3 H260532 -3.959 4.022 3.647 + 1807TIP3 OH260533 -3.747 3.330 4.284 + 1807TIP3 H160534 -3.834 3.308 4.246 + 1807TIP3 H260535 -3.764 3.421 4.315 + 1807TIP3 OH260536 -2.916 4.176 3.295 + 1807TIP3 H160537 -2.921 4.159 3.200 + 1807TIP3 H260538 -2.828 4.216 3.303 + 1807TIP3 OH260539 -3.329 3.557 3.345 + 1807TIP3 H160540 -3.378 3.546 3.427 + 1807TIP3 H260541 -3.371 3.489 3.289 + 1807TIP3 OH260542 -3.768 3.836 3.882 + 1807TIP3 H160543 -3.863 3.830 3.865 + 1807TIP3 H260544 -3.732 3.815 3.794 + 1807TIP3 OH260545 -3.207 3.898 3.764 + 1807TIP3 H160546 -3.251 3.975 3.725 + 1807TIP3 H260547 -3.139 3.878 3.697 + 1808TIP3 OH260548 -3.128 3.832 4.042 + 1808TIP3 H160549 -3.154 3.886 3.965 + 1808TIP3 H260550 -3.105 3.749 3.997 + 1808TIP3 OH260551 -3.685 3.598 3.236 + 1808TIP3 H160552 -3.723 3.565 3.319 + 1808TIP3 H260553 -3.764 3.621 3.185 + 1808TIP3 OH260554 -4.318 3.604 3.930 + 1808TIP3 H160555 -4.307 3.590 4.026 + 1808TIP3 H260556 -4.267 3.532 3.895 + 1808TIP3 OH260557 -4.212 3.642 3.519 + 1808TIP3 H160558 -4.148 3.674 3.452 + 1808TIP3 H260559 -4.283 3.705 3.505 + 1808TIP3 OH260560 -3.500 3.599 3.984 + 1808TIP3 H160561 -3.592 3.588 4.012 + 1808TIP3 H260562 -3.452 3.572 4.064 + 1808TIP3 OH260563 -4.040 3.721 3.847 + 1808TIP3 H160564 -4.114 3.736 3.786 + 1808TIP3 H260565 -4.003 3.638 3.814 + 1808TIP3 OH260566 -3.671 3.748 3.619 + 1808TIP3 H160567 -3.575 3.757 3.627 + 1808TIP3 H260568 -3.695 3.810 3.549 + 1808TIP3 OH260569 -3.057 3.460 4.282 + 1808TIP3 H160570 -3.093 3.495 4.365 + 1808TIP3 H260571 -3.131 3.468 4.220 + 1808TIP3 OH260572 -3.825 3.878 3.399 + 1808TIP3 H160573 -3.882 3.846 3.327 + 1808TIP3 H260574 -3.743 3.896 3.350 + 1808TIP3 OH260575 -3.404 3.833 4.189 + 1808TIP3 H160576 -3.328 3.803 4.135 + 1808TIP3 H260577 -3.399 3.772 4.264 + 1809TIP3 OH260578 -3.875 3.487 3.789 + 1809TIP3 H160579 -3.915 3.400 3.801 + 1809TIP3 H260580 -3.790 3.464 3.747 + 1809TIP3 OH260581 -3.523 4.366 3.605 + 1809TIP3 H160582 -3.560 4.298 3.545 + 1809TIP3 H260583 -3.469 4.317 3.668 + 1809TIP3 OH260584 -3.060 3.619 3.354 + 1809TIP3 H160585 -3.159 3.614 3.355 + 1809TIP3 H260586 -3.042 3.688 3.422 + 1809TIP3 OH260587 -2.993 3.796 3.563 + 1809TIP3 H160588 -2.907 3.781 3.606 + 1809TIP3 H260589 -2.982 3.885 3.526 + 1809TIP3 OH260590 -3.968 4.213 4.148 + 1809TIP3 H160591 -3.899 4.231 4.080 + 1809TIP3 H260592 -3.911 4.162 4.210 + 1809TIP3 OH260593 -2.534 3.796 3.537 + 1809TIP3 H160594 -2.591 3.779 3.459 + 1809TIP3 H260595 -2.522 3.892 3.526 + 1809TIP3 OH260596 -3.022 4.216 4.221 + 1809TIP3 H160597 -3.095 4.185 4.277 + 1809TIP3 H260598 -2.970 4.136 4.202 + 1809TIP3 OH260599 -4.166 4.093 3.371 + 1809TIP3 H160600 -4.088 4.143 3.399 + 1809TIP3 H260601 -4.232 4.165 3.371 + 1809TIP3 OH260602 -3.958 -4.391 3.525 + 1809TIP3 H160603 -4.051 -4.359 3.528 + 1809TIP3 H260604 -3.911 -4.310 3.501 + 1809TIP3 OH260605 -3.143 3.491 3.632 + 1809TIP3 H160606 -3.127 3.549 3.556 + 1809TIP3 H260607 -3.101 3.542 3.704 + 1810TIP3 OH260608 -3.405 3.694 3.727 + 1810TIP3 H160609 -3.328 3.751 3.745 + 1810TIP3 H260610 -3.436 3.672 3.817 + 1810TIP3 OH260611 -3.351 3.393 3.816 + 1810TIP3 H160612 -3.362 3.453 3.893 + 1810TIP3 H260613 -3.273 3.432 3.773 + 1810TIP3 OH260614 -3.774 3.496 3.479 + 1810TIP3 H160615 -3.767 3.575 3.535 + 1810TIP3 H260616 -3.693 3.448 3.505 + 1810TIP3 OH260617 -2.895 3.970 4.134 + 1810TIP3 H160618 -2.974 3.920 4.107 + 1810TIP3 H260619 -2.837 3.898 4.170 + 1810TIP3 OH260620 -4.117 3.797 3.298 + 1810TIP3 H160621 -4.105 3.891 3.319 + 1810TIP3 H260622 -4.199 3.794 3.247 + 1810TIP3 OH260623 -4.013 3.269 4.161 + 1810TIP3 H160624 -4.063 3.297 4.083 + 1810TIP3 H260625 -4.080 3.227 4.217 + 1810TIP3 OH260626 -3.659 4.161 3.459 + 1810TIP3 H160627 -3.727 4.120 3.514 + 1810TIP3 H260628 -3.646 4.093 3.390 + 1810TIP3 OH260629 -3.578 3.956 3.283 + 1810TIP3 H160630 -3.581 3.972 3.187 + 1810TIP3 H260631 -3.483 3.956 3.300 + 1810TIP3 OH260632 -2.648 4.189 3.206 + 1810TIP3 H160633 -2.658 4.185 3.109 + 1810TIP3 H260634 -2.646 4.285 3.225 + 1810TIP3 OH260635 -2.569 4.358 3.642 + 1810TIP3 H160636 -2.473 4.362 3.633 + 1810TIP3 H260637 -2.584 4.279 3.695 + 1811TIP3 OH260638 -2.528 4.132 3.812 + 1811TIP3 H160639 -2.608 4.091 3.851 + 1811TIP3 H260640 -2.473 4.151 3.890 + 1811TIP3 OH260641 -2.512 4.094 3.461 + 1811TIP3 H160642 -2.576 4.117 3.391 + 1811TIP3 H260643 -2.526 4.166 3.524 + 1811TIP3 OH260644 -2.686 3.843 3.295 + 1811TIP3 H160645 -2.666 3.907 3.226 + 1811TIP3 H260646 -2.709 3.762 3.245 + 1811TIP3 OH260647 -2.759 3.966 3.885 + 1811TIP3 H160648 -2.760 3.869 3.874 + 1811TIP3 H260649 -2.791 3.976 3.977 + 1811TIP3 OH260650 -4.235 4.171 4.280 + 1811TIP3 H160651 -4.220 4.188 4.186 + 1811TIP3 H260652 -4.146 4.152 4.311 + 1811TIP3 OH260653 -2.739 3.577 3.212 + 1811TIP3 H160654 -2.682 3.530 3.276 + 1811TIP3 H260655 -2.821 3.525 3.213 + 1811TIP3 OH260656 -2.759 3.707 3.709 + 1811TIP3 H160657 -2.735 3.612 3.717 + 1811TIP3 H260658 -2.677 3.742 3.669 + 1811TIP3 OH260659 -2.734 3.778 4.222 + 1811TIP3 H160660 -2.639 3.772 4.240 + 1811TIP3 H260661 -2.773 3.748 4.306 + 1811TIP3 OH260662 -2.711 3.426 3.706 + 1811TIP3 H160663 -2.703 3.396 3.799 + 1811TIP3 H260664 -2.792 3.379 3.678 + 1811TIP3 OH260665 -4.166 3.573 4.193 + 1811TIP3 H160666 -4.187 3.484 4.222 + 1811TIP3 H260667 -4.111 3.601 4.267 + 1812TIP3 OH260668 -4.352 3.825 4.315 + 1812TIP3 H160669 -4.306 3.783 4.241 + 1812TIP3 H260670 -4.308 3.911 4.321 + 1812TIP3 OH260671 -2.516 3.476 3.373 + 1812TIP3 H160672 -2.484 3.395 3.329 + 1812TIP3 H260673 -2.435 3.528 3.383 + 1812TIP3 OH260674 -4.312 3.425 3.643 + 1812TIP3 H160675 -4.397 3.468 3.629 + 1812TIP3 H260676 -4.252 3.497 3.611 + 1812TIP3 OH260677 -3.301 3.439 4.124 + 1812TIP3 H160678 -3.360 3.367 4.153 + 1812TIP3 H260679 -3.231 3.389 4.077 + 1812TIP3 OH260680 -2.806 3.313 4.147 + 1812TIP3 H160681 -2.722 3.268 4.130 + 1812TIP3 H260682 -2.874 3.249 4.125 + 1812TIP3 OH260683 -2.587 3.341 3.956 + 1812TIP3 H160684 -2.512 3.306 3.905 + 1812TIP3 H260685 -2.561 3.433 3.974 + 1812TIP3 OH260686 -4.112 3.291 3.881 + 1812TIP3 H160687 -4.180 3.249 3.827 + 1812TIP3 H260688 -4.043 3.222 3.883 + 1812TIP3 OH260689 -4.198 3.246 3.463 + 1812TIP3 H160690 -4.139 3.308 3.415 + 1812TIP3 H260691 -4.237 3.307 3.529 + 1812TIP3 OH260692 -3.612 3.276 3.890 + 1812TIP3 H160693 -3.523 3.313 3.874 + 1812TIP3 H260694 -3.612 3.270 3.987 + 1812TIP3 OH260695 -3.081 3.293 3.998 + 1812TIP3 H160696 -3.030 3.267 3.921 + 1812TIP3 H260697 -3.099 3.208 4.041 + 1813TIP3 OH260698 -2.944 3.287 3.614 + 1813TIP3 H160699 -3.025 3.341 3.605 + 1813TIP3 H260700 -2.981 3.199 3.631 + 1813TIP3 OH260701 -4.007 3.432 3.324 + 1813TIP3 H160702 -3.946 3.379 3.270 + 1813TIP3 H260703 -3.946 3.466 3.392 + 1813TIP3 OH260704 -3.500 3.450 3.583 + 1813TIP3 H160705 -3.463 3.395 3.654 + 1813TIP3 H260706 -3.480 3.538 3.619 + 1813TIP3 OH260707 -1.421 4.115 4.244 + 1813TIP3 H160708 -1.385 4.048 4.303 + 1813TIP3 H260709 -1.397 4.083 4.156 + 1813TIP3 OH260710 -2.375 3.888 3.776 + 1813TIP3 H160711 -2.421 3.973 3.787 + 1813TIP3 H260712 -2.447 3.831 3.744 + 1813TIP3 OH260713 -2.287 4.129 3.973 + 1813TIP3 H160714 -2.283 4.054 4.036 + 1813TIP3 H260715 -2.205 4.113 3.924 + 1813TIP3 OH260716 -1.252 3.812 4.299 + 1813TIP3 H160717 -1.196 3.738 4.327 + 1813TIP3 H260718 -1.221 3.831 4.208 + 1813TIP3 OH260719 -1.881 3.596 4.036 + 1813TIP3 H160720 -1.866 3.685 3.999 + 1813TIP3 H260721 -1.927 3.552 3.962 + 1813TIP3 OH260722 -1.130 3.593 3.851 + 1813TIP3 H160723 -1.082 3.579 3.934 + 1813TIP3 H260724 -1.113 3.687 3.836 + 1813TIP3 OH260725 -2.224 3.870 4.101 + 1813TIP3 H160726 -2.182 3.809 4.162 + 1813TIP3 H260727 -2.221 3.820 4.017 + 1814TIP3 OH260728 -1.717 4.012 4.063 + 1814TIP3 H160729 -1.638 3.958 4.081 + 1814TIP3 H260730 -1.763 3.958 3.998 + 1814TIP3 OH260731 -0.958 3.551 4.073 + 1814TIP3 H160732 -0.957 3.471 4.129 + 1814TIP3 H260733 -0.905 3.611 4.129 + 1814TIP3 OH260734 -2.001 3.687 4.282 + 1814TIP3 H160735 -2.001 3.783 4.268 + 1814TIP3 H260736 -1.992 3.651 4.192 + 1814TIP3 OH260737 -1.623 3.254 4.147 + 1814TIP3 H160738 -1.604 3.162 4.173 + 1814TIP3 H260739 -1.695 3.276 4.210 + 1814TIP3 OH260740 -1.445 4.095 3.596 + 1814TIP3 H160741 -1.482 4.186 3.597 + 1814TIP3 H260742 -1.352 4.111 3.615 + 1814TIP3 OH260743 -1.371 3.944 3.328 + 1814TIP3 H160744 -1.342 3.982 3.414 + 1814TIP3 H260745 -1.288 3.910 3.297 + 1814TIP3 OH260746 -1.060 4.156 3.740 + 1814TIP3 H160747 -1.123 4.172 3.812 + 1814TIP3 H260748 -0.994 4.102 3.787 + 1814TIP3 OH260749 -1.914 4.207 3.936 + 1814TIP3 H160750 -1.922 4.180 3.843 + 1814TIP3 H260751 -1.827 4.172 3.959 + 1814TIP3 OH260752 -1.878 4.085 4.286 + 1814TIP3 H160753 -1.811 4.081 4.214 + 1814TIP3 H260754 -1.837 4.145 4.350 + 1814TIP3 OH260755 -1.150 4.050 3.503 + 1814TIP3 H160756 -1.110 4.088 3.585 + 1814TIP3 H260757 -1.109 4.108 3.434 + 1815TIP3 OH260758 -0.822 3.248 3.443 + 1815TIP3 H160759 -0.906 3.258 3.490 + 1815TIP3 H260760 -0.784 3.337 3.450 + 1815TIP3 OH260761 -2.009 4.088 3.678 + 1815TIP3 H160762 -2.026 4.167 3.623 + 1815TIP3 H260763 -2.076 4.026 3.648 + 1815TIP3 OH260764 -1.860 3.330 4.286 + 1815TIP3 H160765 -1.947 3.319 4.245 + 1815TIP3 H260766 -1.858 3.424 4.310 + 1815TIP3 OH260767 -1.035 4.182 3.293 + 1815TIP3 H160768 -1.027 4.152 3.201 + 1815TIP3 H260769 -0.947 4.221 3.309 + 1815TIP3 OH260770 -1.428 3.556 3.333 + 1815TIP3 H160771 -1.463 3.557 3.423 + 1815TIP3 H260772 -1.478 3.481 3.294 + 1815TIP3 OH260773 -1.879 3.836 3.883 + 1815TIP3 H160774 -1.975 3.827 3.870 + 1815TIP3 H260775 -1.847 3.820 3.793 + 1815TIP3 OH260776 -1.787 3.600 3.234 + 1815TIP3 H160777 -1.829 3.569 3.316 + 1815TIP3 H260778 -1.863 3.623 3.179 + 1815TIP3 OH260779 -2.451 3.599 3.941 + 1815TIP3 H160780 -2.398 3.589 4.022 + 1815TIP3 H260781 -2.401 3.549 3.875 + 1815TIP3 OH260782 -2.298 3.633 3.513 + 1815TIP3 H160783 -2.244 3.682 3.448 + 1815TIP3 H260784 -2.367 3.698 3.532 + 1815TIP3 OH260785 -2.147 3.716 3.856 + 1815TIP3 H160786 -2.229 3.745 3.813 + 1815TIP3 H260787 -2.121 3.637 3.806 + 1816TIP3 OH260788 -1.772 3.745 3.617 + 1816TIP3 H160789 -1.680 3.773 3.629 + 1816TIP3 H260790 -1.806 3.809 3.551 + 1816TIP3 OH260791 -1.218 3.436 4.277 + 1816TIP3 H160792 -1.220 3.497 4.352 + 1816TIP3 H260793 -1.234 3.492 4.201 + 1816TIP3 OH260794 -1.939 3.868 3.400 + 1816TIP3 H160795 -1.995 3.845 3.324 + 1816TIP3 H260796 -1.857 3.896 3.355 + 1816TIP3 OH260797 -1.522 3.810 4.162 + 1816TIP3 H160798 -1.436 3.819 4.115 + 1816TIP3 H260799 -1.494 3.778 4.249 + 1816TIP3 OH260800 -1.965 3.484 3.789 + 1816TIP3 H160801 -2.033 3.413 3.797 + 1816TIP3 H260802 -1.913 3.455 3.714 + 1816TIP3 OH260803 -1.587 4.327 3.593 + 1816TIP3 H160804 -1.662 4.292 3.541 + 1816TIP3 H260805 -1.625 4.338 3.681 + 1816TIP3 OH260806 -1.130 3.761 3.514 + 1816TIP3 H160807 -1.057 3.747 3.577 + 1816TIP3 H260808 -1.136 3.858 3.515 + 1816TIP3 OH260809 -2.065 4.236 4.163 + 1816TIP3 H160810 -2.003 4.238 4.087 + 1816TIP3 H260811 -2.025 4.163 4.214 + 1816TIP3 OH260812 -0.647 3.796 3.539 + 1816TIP3 H160813 -0.705 3.779 3.462 + 1816TIP3 H260814 -0.635 3.892 3.527 + 1816TIP3 OH260815 -1.122 4.191 4.244 + 1816TIP3 H160816 -1.209 4.168 4.278 + 1816TIP3 H260817 -1.087 4.110 4.202 + 1817TIP3 OH260818 -2.249 4.095 3.342 + 1817TIP3 H160819 -2.189 4.155 3.390 + 1817TIP3 H260820 -2.333 4.111 3.388 + 1817TIP3 OH260821 -2.072 -4.386 3.529 + 1817TIP3 H160822 -2.163 -4.351 3.542 + 1817TIP3 H260823 -2.026 -4.305 3.503 + 1817TIP3 OH260824 -1.257 3.496 3.613 + 1817TIP3 H160825 -1.241 3.577 3.561 + 1817TIP3 H260826 -1.229 3.528 3.701 + 1817TIP3 OH260827 -1.497 3.698 3.761 + 1817TIP3 H160828 -1.419 3.756 3.758 + 1817TIP3 H260829 -1.530 3.724 3.848 + 1817TIP3 OH260830 -1.885 3.496 3.478 + 1817TIP3 H160831 -1.878 3.579 3.530 + 1817TIP3 H260832 -1.800 3.454 3.500 + 1817TIP3 OH260833 -1.023 3.958 4.132 + 1817TIP3 H160834 -1.094 3.922 4.074 + 1817TIP3 H260835 -0.970 3.879 4.157 + 1817TIP3 OH260836 -2.235 3.800 3.294 + 1817TIP3 H160837 -2.221 3.895 3.313 + 1817TIP3 H260838 -2.321 3.800 3.250 + 1817TIP3 OH260839 -2.141 3.299 4.171 + 1817TIP3 H160840 -2.161 3.303 4.075 + 1817TIP3 H260841 -2.179 3.215 4.198 + 1817TIP3 OH260842 -1.789 4.168 3.458 + 1817TIP3 H160843 -1.840 4.116 3.521 + 1817TIP3 H260844 -1.757 4.099 3.396 + 1817TIP3 OH260845 -1.689 3.955 3.288 + 1817TIP3 H160846 -1.690 3.969 3.192 + 1817TIP3 H260847 -1.594 3.964 3.307 + 1818TIP3 OH260848 -0.759 4.185 3.212 + 1818TIP3 H160849 -0.772 4.176 3.116 + 1818TIP3 H260850 -0.761 4.282 3.225 + 1818TIP3 OH260851 -0.675 4.349 3.632 + 1818TIP3 H160852 -0.580 4.356 3.645 + 1818TIP3 H260853 -0.700 4.280 3.696 + 1818TIP3 OH260854 -0.643 4.133 3.813 + 1818TIP3 H160855 -0.722 4.089 3.850 + 1818TIP3 H260856 -0.590 4.152 3.893 + 1818TIP3 OH260857 -0.624 4.096 3.461 + 1818TIP3 H160858 -0.687 4.117 3.390 + 1818TIP3 H260859 -0.644 4.167 3.525 + 1818TIP3 OH260860 -0.786 3.836 3.294 + 1818TIP3 H160861 -0.781 3.908 3.230 + 1818TIP3 H260862 -0.825 3.764 3.242 + 1818TIP3 OH260863 -0.868 3.965 3.885 + 1818TIP3 H160864 -0.887 3.872 3.866 + 1818TIP3 H260865 -0.910 3.977 3.972 + 1818TIP3 OH260866 -2.382 4.133 4.268 + 1818TIP3 H160867 -2.367 4.189 4.190 + 1818TIP3 H260868 -2.304 4.152 4.323 + 1818TIP3 OH260869 -0.859 3.561 3.201 + 1818TIP3 H160870 -0.798 3.529 3.270 + 1818TIP3 H260871 -0.943 3.522 3.225 + 1818TIP3 OH260872 -0.892 3.715 3.698 + 1818TIP3 H160873 -0.865 3.623 3.716 + 1818TIP3 H260874 -0.810 3.754 3.665 + 1818TIP3 OH260875 -0.854 3.769 4.219 + 1818TIP3 H160876 -0.758 3.779 4.235 + 1818TIP3 H260877 -0.890 3.767 4.309 + 1819TIP3 OH260878 -0.823 3.427 3.705 + 1819TIP3 H160879 -0.817 3.403 3.799 + 1819TIP3 H260880 -0.908 3.385 3.679 + 1819TIP3 OH260881 -2.299 3.561 4.192 + 1819TIP3 H160882 -2.274 3.468 4.206 + 1819TIP3 H260883 -2.243 3.603 4.259 + 1819TIP3 OH260884 -2.460 3.845 4.304 + 1819TIP3 H160885 -2.417 3.810 4.224 + 1819TIP3 H260886 -2.434 3.939 4.300 + 1819TIP3 OH260887 -0.634 3.479 3.368 + 1819TIP3 H160888 -0.599 3.397 3.329 + 1819TIP3 H260889 -0.552 3.529 3.385 + 1819TIP3 OH260890 -2.405 3.445 3.691 + 1819TIP3 H160891 -2.500 3.452 3.674 + 1819TIP3 H260892 -2.366 3.509 3.628 + 1819TIP3 OH260893 -0.926 3.278 4.153 + 1819TIP3 H160894 -0.844 3.293 4.104 + 1819TIP3 H260895 -0.991 3.260 4.085 + 1819TIP3 OH260896 -0.709 3.340 3.964 + 1819TIP3 H160897 -0.635 3.304 3.910 + 1819TIP3 H260898 -0.678 3.432 3.977 + 1819TIP3 OH260899 -2.175 3.301 3.882 + 1819TIP3 H160900 -2.263 3.286 3.841 + 1819TIP3 H260901 -2.136 3.212 3.875 + 1819TIP3 OH260902 -2.295 3.250 3.477 + 1819TIP3 H160903 -2.244 3.316 3.426 + 1819TIP3 H260904 -2.336 3.304 3.546 + 1819TIP3 OH260905 -1.228 3.298 3.985 + 1819TIP3 H160906 -1.147 3.288 3.933 + 1819TIP3 H260907 -1.217 3.234 4.057 + 1820TIP3 OH260908 -1.058 3.288 3.613 + 1820TIP3 H160909 -1.137 3.346 3.607 + 1820TIP3 H260910 -1.098 3.201 3.628 + 1820TIP3 OH260911 -2.123 3.432 3.321 + 1820TIP3 H160912 -2.062 3.377 3.269 + 1820TIP3 H260913 -2.063 3.466 3.390 + 1820TIP3 OH260914 -1.621 3.458 3.590 + 1820TIP3 H160915 -1.568 3.393 3.638 + 1820TIP3 H260916 -1.589 3.543 3.625 + 1820TIP3 OH260917 0.610 4.194 3.893 + 1820TIP3 H160918 0.591 4.286 3.915 + 1820TIP3 H260919 0.532 4.167 3.843 + 1820TIP3 OH260920 0.468 4.120 4.249 + 1820TIP3 H160921 0.492 4.051 4.313 + 1820TIP3 H260922 0.486 4.081 4.164 + 1820TIP3 OH260923 -0.491 3.888 3.777 + 1820TIP3 H160924 -0.537 3.973 3.789 + 1820TIP3 H260925 -0.562 3.833 3.742 + 1820TIP3 OH260926 -0.399 4.130 3.973 + 1820TIP3 H160927 -0.398 4.056 4.036 + 1820TIP3 H260928 -0.320 4.110 3.922 + 1820TIP3 OH260929 0.655 3.815 4.322 + 1820TIP3 H160930 0.696 3.729 4.342 + 1820TIP3 H260931 0.662 3.820 4.225 + 1820TIP3 OH260932 -0.037 3.603 4.042 + 1820TIP3 H160933 -0.017 3.688 3.999 + 1820TIP3 H260934 -0.068 3.552 3.965 + 1820TIP3 OH260935 0.754 3.622 3.865 + 1820TIP3 H160936 0.807 3.583 3.939 + 1820TIP3 H260937 0.825 3.668 3.817 + 1821TIP3 OH260938 -0.340 3.868 4.099 + 1821TIP3 H160939 -0.292 3.809 4.157 + 1821TIP3 H260940 -0.335 3.821 4.014 + 1821TIP3 OH260941 0.173 4.015 4.056 + 1821TIP3 H160942 0.243 3.955 4.086 + 1821TIP3 H260943 0.123 3.957 3.995 + 1821TIP3 OH260944 0.931 3.562 4.067 + 1821TIP3 H160945 0.927 3.474 4.111 + 1821TIP3 H260946 0.980 3.611 4.135 + 1821TIP3 OH260947 -0.113 3.693 4.297 + 1821TIP3 H160948 -0.122 3.787 4.278 + 1821TIP3 H260949 -0.112 3.651 4.209 + 1821TIP3 OH260950 0.260 3.241 4.176 + 1821TIP3 H160951 0.258 3.144 4.183 + 1821TIP3 H260952 0.178 3.266 4.224 + 1821TIP3 OH260953 0.462 4.143 3.636 + 1821TIP3 H160954 0.400 4.182 3.574 + 1821TIP3 H260955 0.541 4.133 3.579 + 1821TIP3 OH260956 0.503 3.945 3.352 + 1821TIP3 H160957 0.576 3.978 3.408 + 1821TIP3 H260958 0.553 3.892 3.288 + 1821TIP3 OH260959 0.835 4.142 3.737 + 1821TIP3 H160960 0.768 4.162 3.806 + 1821TIP3 H260961 0.900 4.090 3.789 + 1821TIP3 OH260962 -0.027 4.205 3.937 + 1821TIP3 H160963 -0.038 4.181 3.843 + 1821TIP3 H260964 0.058 4.165 3.958 + 1821TIP3 OH260965 0.008 4.083 4.284 + 1821TIP3 H160966 0.076 4.084 4.215 + 1821TIP3 H260967 0.045 4.138 4.354 + 1822TIP3 OH260968 0.717 4.074 3.500 + 1822TIP3 H160969 0.772 4.102 3.577 + 1822TIP3 H260970 0.763 4.121 3.426 + 1822TIP3 OH260971 1.066 3.247 3.444 + 1822TIP3 H160972 0.978 3.256 3.485 + 1822TIP3 H260973 1.101 3.337 3.451 + 1822TIP3 OH260974 -0.123 4.089 3.680 + 1822TIP3 H160975 -0.142 4.166 3.623 + 1822TIP3 H260976 -0.187 4.024 3.649 + 1822TIP3 OH260977 0.015 3.329 4.293 + 1822TIP3 H160978 -0.067 3.326 4.240 + 1822TIP3 H260979 0.028 3.425 4.308 + 1822TIP3 OH260980 0.853 4.178 3.290 + 1822TIP3 H160981 0.852 4.152 3.197 + 1822TIP3 H260982 0.942 4.216 3.299 + 1822TIP3 OH260983 0.441 3.558 3.344 + 1822TIP3 H160984 0.392 3.546 3.427 + 1822TIP3 H260985 0.400 3.489 3.289 + 1822TIP3 OH260986 0.005 3.835 3.883 + 1822TIP3 H160987 -0.090 3.828 3.867 + 1822TIP3 H260988 0.040 3.814 3.795 + 1822TIP3 OH260989 0.565 3.898 3.764 + 1822TIP3 H160990 0.520 3.974 3.725 + 1822TIP3 H260991 0.633 3.878 3.697 + 1822TIP3 OH260992 0.643 3.832 4.043 + 1822TIP3 H160993 0.617 3.886 3.965 + 1822TIP3 H260994 0.666 3.749 3.997 + 1822TIP3 OH260995 0.084 3.605 3.235 + 1822TIP3 H160996 0.049 3.568 3.319 + 1822TIP3 H260997 0.004 3.613 3.181 + 1823TIP3 OH260998 -0.569 3.591 3.942 + 1823TIP3 H160999 -0.512 3.589 4.022 + 1823TIP3 H261000 -0.514 3.549 3.874 + 1823TIP3 OH261001 -0.415 3.632 3.512 + 1823TIP3 H161002 -0.358 3.681 3.449 + 1823TIP3 H261003 -0.483 3.699 3.531 + 1823TIP3 OH261004 0.272 3.597 3.982 + 1823TIP3 H161005 0.180 3.589 4.011 + 1823TIP3 H261006 0.321 3.575 4.063 + 1823TIP3 OH261007 -0.264 3.717 3.854 + 1823TIP3 H161008 -0.345 3.745 3.807 + 1823TIP3 H261009 -0.234 3.639 3.803 + 1823TIP3 OH261010 0.101 3.748 3.619 + 1823TIP3 H161011 0.198 3.757 3.628 + 1823TIP3 H261012 0.078 3.812 3.549 + 1823TIP3 OH261013 0.714 3.461 4.280 + 1823TIP3 H161014 0.682 3.495 4.365 + 1823TIP3 H261015 0.638 3.470 4.221 + 1823TIP3 OH261016 -0.057 3.878 3.398 + 1823TIP3 H161017 -0.112 3.843 3.326 + 1823TIP3 H261018 0.026 3.896 3.351 + 1823TIP3 OH261019 0.366 3.830 4.184 + 1823TIP3 H161020 0.446 3.803 4.136 + 1823TIP3 H261021 0.373 3.778 4.265 + 1823TIP3 OH261022 -0.087 3.491 3.784 + 1823TIP3 H161023 -0.140 3.411 3.800 + 1823TIP3 H261024 -0.006 3.454 3.747 + 1823TIP3 OH261025 0.250 4.365 3.602 + 1823TIP3 H161026 0.212 4.297 3.544 + 1823TIP3 H261027 0.299 4.318 3.669 + 1824TIP3 OH261028 0.710 3.618 3.356 + 1824TIP3 H161029 0.611 3.614 3.355 + 1824TIP3 H261030 0.729 3.688 3.422 + 1824TIP3 OH261031 0.777 3.797 3.564 + 1824TIP3 H161032 0.864 3.780 3.606 + 1824TIP3 H261033 0.790 3.885 3.525 + 1824TIP3 OH261034 -0.178 4.238 4.163 + 1824TIP3 H161035 -0.117 4.238 4.086 + 1824TIP3 H261036 -0.140 4.163 4.213 + 1824TIP3 OH261037 1.237 3.796 3.537 + 1824TIP3 H161038 1.180 3.778 3.460 + 1824TIP3 H261039 1.249 3.892 3.525 + 1824TIP3 OH261040 0.749 4.216 4.221 + 1824TIP3 H161041 0.678 4.187 4.279 + 1824TIP3 H261042 0.801 4.135 4.203 + 1824TIP3 OH261043 -0.364 4.095 3.341 + 1824TIP3 H161044 -0.305 4.155 3.391 + 1824TIP3 H261045 -0.449 4.109 3.388 + 1824TIP3 OH261046 -0.188 -4.386 3.524 + 1824TIP3 H161047 -0.277 -4.351 3.544 + 1824TIP3 H261048 -0.138 -4.305 3.509 + 1824TIP3 OH261049 0.627 3.492 3.632 + 1824TIP3 H161050 0.645 3.548 3.555 + 1824TIP3 H261051 0.670 3.542 3.704 + 1824TIP3 OH261052 0.366 3.695 3.727 + 1824TIP3 H161053 0.444 3.751 3.745 + 1824TIP3 H261054 0.335 3.673 3.817 + 1824TIP3 OH261055 0.420 3.393 3.817 + 1824TIP3 H161056 0.409 3.454 3.892 + 1824TIP3 H261057 0.498 3.432 3.773 + 1825TIP3 OH261058 -0.002 3.495 3.474 + 1825TIP3 H161059 0.000 3.570 3.535 + 1825TIP3 H261060 0.079 3.447 3.501 + 1825TIP3 OH261061 0.878 3.969 4.131 + 1825TIP3 H161062 0.797 3.921 4.108 + 1825TIP3 H261063 0.934 3.897 4.169 + 1825TIP3 OH261064 -0.347 3.801 3.292 + 1825TIP3 H161065 -0.335 3.895 3.314 + 1825TIP3 H261066 -0.436 3.800 3.255 + 1825TIP3 OH261067 -0.260 3.302 4.172 + 1825TIP3 H161068 -0.273 3.306 4.074 + 1825TIP3 H261069 -0.292 3.214 4.194 + 1825TIP3 OH261070 0.108 4.162 3.456 + 1825TIP3 H161071 0.044 4.119 3.515 + 1825TIP3 H261072 0.125 4.092 3.390 + 1825TIP3 OH261073 0.193 3.957 3.284 + 1825TIP3 H161074 0.191 3.971 3.188 + 1825TIP3 H261075 0.289 3.955 3.302 + 1825TIP3 OH261076 1.123 4.189 3.207 + 1825TIP3 H161077 1.115 4.182 3.110 + 1825TIP3 H261078 1.124 4.285 3.224 + 1825TIP3 OH261079 1.205 4.359 3.643 + 1825TIP3 H161080 1.301 4.359 3.634 + 1825TIP3 H261081 1.186 4.279 3.694 + 1825TIP3 OH261082 1.243 4.132 3.812 + 1825TIP3 H161083 1.163 4.091 3.850 + 1825TIP3 H261084 1.296 4.152 3.892 + 1825TIP3 OH261085 1.260 4.095 3.461 + 1825TIP3 H161086 1.196 4.117 3.391 + 1825TIP3 H261087 1.244 4.166 3.524 + 1826TIP3 OH261088 1.085 3.844 3.295 + 1826TIP3 H161089 1.105 3.905 3.223 + 1826TIP3 H261090 1.061 3.762 3.248 + 1826TIP3 OH261091 1.013 3.966 3.885 + 1826TIP3 H161092 1.011 3.870 3.873 + 1826TIP3 H261093 0.979 3.976 3.976 + 1826TIP3 OH261094 -0.495 4.130 4.267 + 1826TIP3 H161095 -0.484 4.189 4.192 + 1826TIP3 H261096 -0.418 4.152 4.323 + 1826TIP3 OH261097 1.031 3.579 3.215 + 1826TIP3 H161098 1.089 3.529 3.275 + 1826TIP3 H261099 0.951 3.525 3.210 + 1826TIP3 OH261100 1.013 3.707 3.709 + 1826TIP3 H161101 1.036 3.612 3.717 + 1826TIP3 H261102 1.095 3.742 3.669 + 1826TIP3 OH261103 1.036 3.777 4.223 + 1826TIP3 H161104 1.131 3.773 4.242 + 1826TIP3 H261105 0.996 3.750 4.308 + 1826TIP3 OH261106 1.059 3.427 3.707 + 1826TIP3 H161107 1.068 3.396 3.798 + 1826TIP3 H261108 0.979 3.379 3.678 + 1826TIP3 OH261109 -0.416 3.558 4.191 + 1826TIP3 H161110 -0.383 3.467 4.203 + 1826TIP3 H261111 -0.362 3.605 4.256 + 1826TIP3 OH261112 -0.578 3.844 4.302 + 1826TIP3 H161113 -0.532 3.811 4.223 + 1826TIP3 H261114 -0.551 3.939 4.300 + 1826TIP3 OH261115 1.255 3.476 3.374 + 1826TIP3 H161116 1.286 3.395 3.329 + 1826TIP3 H261117 1.338 3.527 3.382 + 1827TIP3 OH261118 -0.519 3.443 3.688 + 1827TIP3 H161119 -0.615 3.455 3.674 + 1827TIP3 H261120 -0.480 3.509 3.628 + 1827TIP3 OH261121 0.471 3.439 4.124 + 1827TIP3 H161122 0.412 3.367 4.153 + 1827TIP3 H261123 0.541 3.389 4.077 + 1827TIP3 OH261124 0.966 3.307 4.154 + 1827TIP3 H161125 1.050 3.273 4.120 + 1827TIP3 H261126 0.897 3.253 4.115 + 1827TIP3 OH261127 1.183 3.340 3.958 + 1827TIP3 H161128 1.258 3.305 3.905 + 1827TIP3 H261129 1.209 3.432 3.974 + 1827TIP3 OH261130 -0.292 3.300 3.890 + 1827TIP3 H161131 -0.377 3.287 3.843 + 1827TIP3 H261132 -0.247 3.216 3.873 + 1827TIP3 OH261133 -0.411 3.251 3.477 + 1827TIP3 H161134 -0.359 3.316 3.427 + 1827TIP3 H261135 -0.449 3.305 3.547 + 1827TIP3 OH261136 0.159 3.276 3.891 + 1827TIP3 H161137 0.247 3.313 3.871 + 1827TIP3 H261138 0.165 3.268 3.987 + 1827TIP3 OH261139 0.693 3.293 3.998 + 1827TIP3 H161140 0.741 3.267 3.919 + 1827TIP3 H261141 0.673 3.207 4.041 + 1827TIP3 OH261142 0.827 3.287 3.616 + 1827TIP3 H161143 0.745 3.340 3.604 + 1827TIP3 H261144 0.791 3.198 3.628 + 1827TIP3 OH261145 -0.237 3.432 3.321 + 1827TIP3 H161146 -0.176 3.376 3.270 + 1827TIP3 H261147 -0.178 3.465 3.391 + 1828TIP3 OH261148 0.270 3.450 3.584 + 1828TIP3 H161149 0.310 3.395 3.654 + 1828TIP3 H261150 0.290 3.538 3.619 + 1828TIP3 OH261151 2.496 4.194 3.893 + 1828TIP3 H161152 2.475 4.286 3.914 + 1828TIP3 H261153 2.418 4.167 3.843 + 1828TIP3 OH261154 2.359 4.120 4.251 + 1828TIP3 H161155 2.379 4.047 4.311 + 1828TIP3 H261156 2.369 4.082 4.163 + 1828TIP3 OH261157 1.395 3.890 3.777 + 1828TIP3 H161158 1.346 3.974 3.786 + 1828TIP3 H261159 1.325 3.831 3.745 + 1828TIP3 OH261160 1.488 4.131 3.975 + 1828TIP3 H161161 1.487 4.055 4.035 + 1828TIP3 H261162 1.564 4.108 3.920 + 1828TIP3 OH261163 2.539 3.817 4.322 + 1828TIP3 H161164 2.582 3.733 4.343 + 1828TIP3 H261165 2.546 3.822 4.225 + 1828TIP3 OH261166 1.851 3.603 4.042 + 1828TIP3 H161167 1.867 3.688 3.997 + 1828TIP3 H261168 1.819 3.551 3.966 + 1828TIP3 OH261169 2.639 3.623 3.865 + 1828TIP3 H161170 2.692 3.583 3.939 + 1828TIP3 H261171 2.710 3.668 3.817 + 1828TIP3 OH261172 1.549 3.871 4.098 + 1828TIP3 H161173 1.590 3.807 4.158 + 1828TIP3 H261174 1.550 3.822 4.014 + 1828TIP3 OH261175 2.058 4.015 4.055 + 1828TIP3 H161176 2.128 3.954 4.086 + 1828TIP3 H261177 2.008 3.957 3.995 + 1829TIP3 OH261178 2.814 3.566 4.066 + 1829TIP3 H161179 2.813 3.476 4.106 + 1829TIP3 H261180 2.865 3.613 4.134 + 1829TIP3 OH261181 1.776 3.694 4.298 + 1829TIP3 H161182 1.759 3.787 4.279 + 1829TIP3 H261183 1.771 3.651 4.211 + 1829TIP3 OH261184 2.147 3.241 4.177 + 1829TIP3 H161185 2.142 3.144 4.183 + 1829TIP3 H261186 2.064 3.267 4.222 + 1829TIP3 OH261187 2.347 4.142 3.636 + 1829TIP3 H161188 2.286 4.188 3.578 + 1829TIP3 H261189 2.424 4.132 3.578 + 1829TIP3 OH261190 2.390 3.942 3.355 + 1829TIP3 H161191 2.462 3.978 3.408 + 1829TIP3 H261192 2.439 3.893 3.288 + 1829TIP3 OH261193 2.721 4.144 3.738 + 1829TIP3 H161194 2.653 4.162 3.806 + 1829TIP3 H261195 2.786 4.091 3.788 + 1829TIP3 OH261196 1.860 4.207 3.936 + 1829TIP3 H161197 1.845 4.179 3.844 + 1829TIP3 H261198 1.943 4.162 3.957 + 1829TIP3 OH261199 1.895 4.081 4.285 + 1829TIP3 H161200 1.961 4.083 4.214 + 1829TIP3 H261201 1.931 4.142 4.351 + 1829TIP3 OH261202 2.602 4.073 3.501 + 1829TIP3 H161203 2.658 4.101 3.578 + 1829TIP3 H261204 2.649 4.119 3.427 + 1829TIP3 OH261205 1.762 4.090 3.681 + 1829TIP3 H161206 1.743 4.167 3.624 + 1829TIP3 H261207 1.700 4.023 3.649 + 1830TIP3 OH261208 1.903 3.330 4.290 + 1830TIP3 H161209 1.819 3.322 4.242 + 1830TIP3 H261210 1.910 3.425 4.308 + 1830TIP3 OH261211 2.742 4.176 3.296 + 1830TIP3 H161212 2.734 4.160 3.200 + 1830TIP3 H261213 2.831 4.215 3.301 + 1830TIP3 OH261214 2.330 3.551 3.346 + 1830TIP3 H161215 2.276 3.545 3.426 + 1830TIP3 H261216 2.282 3.490 3.288 + 1830TIP3 OH261217 1.891 3.837 3.883 + 1830TIP3 H161218 1.795 3.827 3.867 + 1830TIP3 H261219 1.925 3.814 3.794 + 1830TIP3 OH261220 2.450 3.899 3.764 + 1830TIP3 H161221 2.405 3.975 3.724 + 1830TIP3 H261222 2.517 3.878 3.697 + 1830TIP3 OH261223 2.529 3.832 4.042 + 1830TIP3 H161224 2.503 3.886 3.965 + 1830TIP3 H261225 2.552 3.749 3.997 + 1830TIP3 OH261226 1.972 3.603 3.235 + 1830TIP3 H161227 1.934 3.567 3.318 + 1830TIP3 H261228 1.893 3.616 3.182 + 1830TIP3 OH261229 1.322 3.601 3.940 + 1830TIP3 H161230 1.373 3.588 4.022 + 1830TIP3 H261231 1.369 3.548 3.874 + 1830TIP3 OH261232 1.474 3.633 3.514 + 1830TIP3 H161233 1.527 3.682 3.448 + 1830TIP3 H261234 1.403 3.698 3.531 + 1830TIP3 OH261235 2.158 3.599 3.982 + 1830TIP3 H161236 2.065 3.589 4.009 + 1830TIP3 H261237 2.205 3.573 4.063 + 1831TIP3 OH261238 1.625 3.719 3.852 + 1831TIP3 H161239 1.541 3.743 3.809 + 1831TIP3 H261240 1.651 3.639 3.803 + 1831TIP3 OH261241 1.988 3.749 3.619 + 1831TIP3 H161242 2.085 3.761 3.625 + 1831TIP3 H261243 1.961 3.810 3.548 + 1831TIP3 OH261244 2.599 3.459 4.282 + 1831TIP3 H161245 2.566 3.496 4.365 + 1831TIP3 H261246 2.525 3.469 4.221 + 1831TIP3 OH261247 1.830 3.878 3.399 + 1831TIP3 H161248 1.773 3.845 3.328 + 1831TIP3 H261249 1.913 3.896 3.350 + 1831TIP3 OH261250 2.254 3.833 4.187 + 1831TIP3 H161251 2.330 3.802 4.136 + 1831TIP3 H261252 2.257 3.775 4.264 + 1831TIP3 OH261253 1.799 3.490 3.786 + 1831TIP3 H161254 1.742 3.413 3.800 + 1831TIP3 H261255 1.878 3.451 3.747 + 1831TIP3 OH261256 2.148 4.369 3.591 + 1831TIP3 H161257 2.094 4.303 3.543 + 1831TIP3 H261258 2.171 4.324 3.673 + 1831TIP3 OH261259 2.596 3.623 3.347 + 1831TIP3 H161260 2.498 3.613 3.354 + 1831TIP3 H261261 2.616 3.685 3.420 + 1831TIP3 OH261262 2.663 3.795 3.563 + 1831TIP3 H161263 2.750 3.780 3.607 + 1831TIP3 H261264 2.674 3.885 3.526 + 1831TIP3 OH261265 1.710 4.240 4.164 + 1831TIP3 H161266 1.769 4.238 4.086 + 1831TIP3 H261267 1.743 4.162 4.212 + 1832TIP3 OH261268 3.122 3.796 3.535 + 1832TIP3 H161269 3.063 3.783 3.457 + 1832TIP3 H261270 3.137 3.892 3.526 + 1832TIP3 OH261271 2.635 4.217 4.220 + 1832TIP3 H161272 2.561 4.186 4.275 + 1832TIP3 H261273 2.686 4.136 4.202 + 1832TIP3 OH261274 1.522 4.095 3.343 + 1832TIP3 H161275 1.581 4.155 3.392 + 1832TIP3 H261276 1.437 4.110 3.389 + 1832TIP3 OH261277 1.701 -4.386 3.528 + 1832TIP3 H161278 1.609 -4.354 3.541 + 1832TIP3 H261279 1.745 -4.303 3.503 + 1832TIP3 OH261280 2.533 3.478 3.634 + 1832TIP3 H161281 2.526 3.540 3.561 + 1832TIP3 H261282 2.562 3.536 3.707 + 1832TIP3 OH261283 2.258 3.691 3.727 + 1832TIP3 H161284 2.331 3.753 3.747 + 1832TIP3 H261285 2.223 3.671 3.816 + 1832TIP3 OH261286 2.306 3.394 3.817 + 1832TIP3 H161287 2.295 3.454 3.893 + 1832TIP3 H261288 2.387 3.430 3.777 + 1832TIP3 OH261289 1.883 3.495 3.474 + 1832TIP3 H161290 1.885 3.570 3.536 + 1832TIP3 H261291 1.964 3.446 3.501 + 1832TIP3 OH261292 2.762 3.971 4.133 + 1832TIP3 H161293 2.683 3.921 4.107 + 1832TIP3 H261294 2.820 3.900 4.170 + 1832TIP3 OH261295 1.537 3.800 3.296 + 1832TIP3 H161296 1.549 3.895 3.313 + 1832TIP3 H261297 1.452 3.799 3.249 + 1833TIP3 OH261298 1.628 3.300 4.171 + 1833TIP3 H161299 1.612 3.304 4.075 + 1833TIP3 H261300 1.592 3.214 4.195 + 1833TIP3 OH261301 1.998 4.161 3.466 + 1833TIP3 H161302 1.928 4.119 3.516 + 1833TIP3 H261303 2.012 4.098 3.393 + 1833TIP3 OH261304 2.078 3.958 3.284 + 1833TIP3 H161305 2.075 3.971 3.187 + 1833TIP3 H261306 2.174 3.957 3.300 + 1833TIP3 OH261307 3.009 4.189 3.207 + 1833TIP3 H161308 2.997 4.183 3.111 + 1833TIP3 H261309 3.014 4.285 3.224 + 1833TIP3 OH261310 3.081 4.365 3.646 + 1833TIP3 H161311 3.177 4.370 3.635 + 1833TIP3 H261312 3.068 4.283 3.695 + 1833TIP3 OH261313 3.128 4.133 3.812 + 1833TIP3 H161314 3.049 4.091 3.851 + 1833TIP3 H261315 3.183 4.150 3.891 + 1833TIP3 OH261316 3.145 4.093 3.461 + 1833TIP3 H161317 3.082 4.117 3.391 + 1833TIP3 H261318 3.131 4.165 3.524 + 1833TIP3 OH261319 2.972 3.842 3.295 + 1833TIP3 H161320 2.991 3.908 3.226 + 1833TIP3 H261321 2.949 3.763 3.243 + 1833TIP3 OH261322 2.898 3.966 3.885 + 1833TIP3 H161323 2.897 3.869 3.874 + 1833TIP3 H261324 2.865 3.975 3.976 + 1833TIP3 OH261325 1.390 4.133 4.267 + 1833TIP3 H161326 1.406 4.189 4.190 + 1833TIP3 H261327 1.465 4.152 4.324 + 1834TIP3 OH261328 2.921 3.575 3.216 + 1834TIP3 H161329 2.973 3.527 3.283 + 1834TIP3 H261330 2.836 3.529 3.218 + 1834TIP3 OH261331 2.898 3.706 3.709 + 1834TIP3 H161332 2.921 3.611 3.718 + 1834TIP3 H261333 2.980 3.740 3.670 + 1834TIP3 OH261334 2.922 3.778 4.222 + 1834TIP3 H161335 3.018 3.773 4.241 + 1834TIP3 H261336 2.884 3.743 4.305 + 1834TIP3 OH261337 2.953 3.428 3.708 + 1834TIP3 H161338 2.947 3.395 3.800 + 1834TIP3 H261339 2.880 3.379 3.664 + 1834TIP3 OH261340 1.471 3.559 4.191 + 1834TIP3 H161341 1.498 3.467 4.204 + 1834TIP3 H261342 1.525 3.603 4.258 + 1834TIP3 OH261343 1.310 3.844 4.303 + 1834TIP3 H161344 1.353 3.810 4.222 + 1834TIP3 H261345 1.336 3.938 4.299 + 1834TIP3 OH261346 3.123 3.455 3.376 + 1834TIP3 H161347 3.168 3.385 3.327 + 1834TIP3 H261348 3.195 3.517 3.395 + 1834TIP3 OH261349 1.366 3.447 3.693 + 1834TIP3 H161350 1.271 3.453 3.673 + 1834TIP3 H261351 1.406 3.508 3.629 + 1834TIP3 OH261352 2.356 3.439 4.124 + 1834TIP3 H161353 2.297 3.367 4.153 + 1834TIP3 H261354 2.426 3.389 4.077 + 1834TIP3 OH261355 2.853 3.314 4.145 + 1834TIP3 H161356 2.936 3.267 4.133 + 1834TIP3 H261357 2.784 3.249 4.130 + 1835TIP3 OH261358 3.073 3.337 3.955 + 1835TIP3 H161359 3.147 3.311 3.899 + 1835TIP3 H261360 3.093 3.430 3.976 + 1835TIP3 OH261361 1.595 3.301 3.888 + 1835TIP3 H161362 1.509 3.287 3.843 + 1835TIP3 H261363 1.638 3.215 3.873 + 1835TIP3 OH261364 1.477 3.250 3.478 + 1835TIP3 H161365 1.527 3.316 3.426 + 1835TIP3 H261366 1.436 3.304 3.546 + 1835TIP3 OH261367 2.046 3.277 3.890 + 1835TIP3 H161368 2.135 3.312 3.873 + 1835TIP3 H261369 2.047 3.269 3.986 + 1835TIP3 OH261370 2.574 3.293 3.999 + 1835TIP3 H161371 2.625 3.264 3.922 + 1835TIP3 H261372 2.557 3.209 4.045 + 1835TIP3 OH261373 2.739 3.291 3.590 + 1835TIP3 H161374 2.660 3.348 3.592 + 1835TIP3 H261375 2.702 3.207 3.620 + 1835TIP3 OH261376 1.647 3.432 3.321 + 1835TIP3 H161377 1.708 3.376 3.269 + 1835TIP3 H261378 1.707 3.465 3.391 + 1835TIP3 OH261379 2.160 3.451 3.581 + 1835TIP3 H161380 2.194 3.395 3.654 + 1835TIP3 H261381 2.174 3.538 3.621 + 1835TIP3 OH261382 4.195 4.102 4.243 + 1835TIP3 H161383 4.273 4.115 4.299 + 1835TIP3 H261384 4.236 4.087 4.157 + 1835TIP3 OH261385 3.281 3.889 3.774 + 1835TIP3 H161386 3.235 3.974 3.787 + 1835TIP3 H261387 3.208 3.831 3.748 + 1836TIP3 OH261388 3.371 4.129 3.974 + 1836TIP3 H161389 3.373 4.053 4.036 + 1836TIP3 H261390 3.452 4.111 3.924 + 1836TIP3 OH261391 3.735 3.604 4.041 + 1836TIP3 H161392 3.756 3.689 3.999 + 1836TIP3 H261393 3.700 3.554 3.966 + 1836TIP3 OH261394 3.433 3.871 4.098 + 1836TIP3 H161395 3.477 3.811 4.159 + 1836TIP3 H261396 3.436 3.820 4.015 + 1836TIP3 OH261397 3.942 4.014 4.056 + 1836TIP3 H161398 4.016 3.956 4.085 + 1836TIP3 H261399 3.894 3.952 3.997 + 1836TIP3 OH261400 3.659 3.694 4.299 + 1836TIP3 H161401 3.650 3.787 4.278 + 1836TIP3 H261402 3.659 3.650 4.212 + 1836TIP3 OH261403 4.031 3.239 4.165 + 1836TIP3 H161404 4.028 3.144 4.186 + 1836TIP3 H261405 3.956 3.272 4.219 + 1836TIP3 OH261406 4.268 4.125 3.630 + 1836TIP3 H161407 4.200 4.190 3.606 + 1836TIP3 H261408 4.332 4.141 3.561 + 1836TIP3 OH261409 4.285 3.941 3.364 + 1836TIP3 H161410 4.373 3.970 3.393 + 1836TIP3 H261411 4.300 3.913 3.273 + 1836TIP3 OH261412 3.743 4.204 3.937 + 1836TIP3 H161413 3.735 4.179 3.844 + 1836TIP3 H261414 3.829 4.165 3.961 + 1836TIP3 OH261415 3.784 4.082 4.287 + 1836TIP3 H161416 3.850 4.080 4.215 + 1836TIP3 H261417 3.822 4.145 4.350 + 1837TIP3 OH261418 3.650 4.087 3.677 + 1837TIP3 H161419 3.631 4.166 3.622 + 1837TIP3 H261420 3.580 4.025 3.650 + 1837TIP3 OH261421 3.789 3.330 4.292 + 1837TIP3 H161422 3.705 3.323 4.244 + 1837TIP3 H261423 3.797 3.425 4.310 + 1837TIP3 OH261424 4.216 3.551 3.326 + 1837TIP3 H161425 4.171 3.552 3.411 + 1837TIP3 H261426 4.189 3.467 3.288 + 1837TIP3 OH261427 3.775 3.835 3.884 + 1837TIP3 H161428 3.680 3.827 3.867 + 1837TIP3 H261429 3.810 3.816 3.795 + 1837TIP3 OH261430 4.271 3.887 3.833 + 1837TIP3 H161431 4.266 3.980 3.803 + 1837TIP3 H261432 4.364 3.875 3.855 + 1837TIP3 OH261433 3.872 3.566 3.227 + 1837TIP3 H161434 3.834 3.556 3.316 + 1837TIP3 H261435 3.809 3.624 3.184 + 1837TIP3 OH261436 3.208 3.601 3.940 + 1837TIP3 H161437 3.258 3.591 4.023 + 1837TIP3 H261438 3.257 3.546 3.876 + 1837TIP3 OH261439 3.352 3.628 3.508 + 1837TIP3 H161440 3.408 3.677 3.445 + 1837TIP3 H261441 3.286 3.697 3.531 + 1837TIP3 OH261442 4.041 3.579 3.983 + 1837TIP3 H161443 3.951 3.585 4.018 + 1837TIP3 H261444 4.092 3.582 4.066 + 1837TIP3 OH261445 3.511 3.717 3.851 + 1837TIP3 H161446 3.426 3.743 3.810 + 1837TIP3 H261447 3.536 3.637 3.801 + 1838TIP3 OH261448 3.876 3.744 3.615 + 1838TIP3 H161449 3.970 3.762 3.628 + 1838TIP3 H261450 3.848 3.809 3.549 + 1838TIP3 OH261451 3.720 3.866 3.392 + 1838TIP3 H161452 3.668 3.848 3.312 + 1838TIP3 H261453 3.803 3.898 3.352 + 1838TIP3 OH261454 4.122 3.815 4.149 + 1838TIP3 H161455 4.199 3.786 4.099 + 1838TIP3 H261456 4.150 3.796 4.240 + 1838TIP3 OH261457 3.681 3.487 3.772 + 1838TIP3 H161458 3.629 3.411 3.801 + 1838TIP3 H261459 3.770 3.449 3.762 + 1838TIP3 OH261460 4.068 4.333 3.593 + 1838TIP3 H161461 3.993 4.291 3.545 + 1838TIP3 H261462 4.043 4.321 3.685 + 1838TIP3 OH261463 3.595 4.236 4.165 + 1838TIP3 H161464 3.655 4.237 4.088 + 1838TIP3 H261465 3.630 4.160 4.214 + 1838TIP3 OH261466 3.409 4.093 3.343 + 1838TIP3 H161467 3.468 4.154 3.390 + 1838TIP3 H261468 3.324 4.110 3.388 + 1838TIP3 OH261469 3.583 -4.386 3.529 + 1838TIP3 H161470 3.493 -4.351 3.543 + 1838TIP3 H261471 3.631 -4.306 3.501 + 1838TIP3 OH261472 4.141 3.678 3.723 + 1838TIP3 H161473 4.200 3.750 3.756 + 1838TIP3 H261474 4.103 3.652 3.809 + 1838TIP3 OH261475 4.184 3.395 3.829 + 1838TIP3 H161476 4.162 3.460 3.900 + 1838TIP3 H261477 4.274 3.424 3.807 + 1839TIP3 OH261478 3.779 3.490 3.473 + 1839TIP3 H161479 3.754 3.566 3.529 + 1839TIP3 H261480 3.863 3.466 3.517 + 1839TIP3 OH261481 3.422 3.799 3.291 + 1839TIP3 H161482 3.438 3.893 3.312 + 1839TIP3 H261483 3.333 3.801 3.253 + 1839TIP3 OH261484 3.513 3.300 4.171 + 1839TIP3 H161485 3.494 3.302 4.075 + 1839TIP3 H261486 3.479 3.214 4.199 + 1839TIP3 OH261487 3.873 4.165 3.462 + 1839TIP3 H161488 3.815 4.112 3.518 + 1839TIP3 H261489 3.903 4.101 3.395 + 1839TIP3 OH261490 3.977 3.955 3.295 + 1839TIP3 H161491 3.976 3.961 3.198 + 1839TIP3 H261492 4.073 3.962 3.312 + 1839TIP3 OH261493 3.274 4.135 4.268 + 1839TIP3 H161494 3.292 4.189 4.190 + 1839TIP3 H261495 3.352 4.151 4.324 + 1839TIP3 OH261496 3.358 3.560 4.189 + 1839TIP3 H161497 3.384 3.468 4.205 + 1839TIP3 H261498 3.410 3.604 4.258 + 1839TIP3 OH261499 3.194 3.845 4.302 + 1839TIP3 H161500 3.240 3.809 4.225 + 1839TIP3 H261501 3.223 3.938 4.300 + 1839TIP3 OH261502 3.250 3.439 3.688 + 1839TIP3 H161503 3.154 3.451 3.677 + 1839TIP3 H261504 3.288 3.507 3.630 + 1839TIP3 OH261505 4.261 3.419 4.117 + 1839TIP3 H161506 4.197 3.365 4.165 + 1839TIP3 H261507 4.311 3.352 4.071 + 1840TIP3 OH261508 3.478 3.300 3.885 + 1840TIP3 H161509 3.394 3.284 3.839 + 1840TIP3 H261510 3.522 3.214 3.875 + 1840TIP3 OH261511 3.349 3.253 3.472 + 1840TIP3 H161512 3.409 3.315 3.425 + 1840TIP3 H261513 3.322 3.306 3.549 + 1840TIP3 OH261514 3.931 3.279 3.887 + 1840TIP3 H161515 4.020 3.316 3.872 + 1840TIP3 H261516 3.933 3.270 3.984 + 1840TIP3 OH261517 3.532 3.431 3.317 + 1840TIP3 H161518 3.597 3.380 3.266 + 1840TIP3 H261519 3.587 3.471 3.385 + 1840TIP3 OH261520 4.038 3.438 3.575 + 1840TIP3 H161521 4.069 3.384 3.651 + 1840TIP3 H261522 4.053 3.527 3.611 + 1SOD SOD61523 2.036 2.654 0.153 + 2SOD SOD61524 2.949 2.006 -1.899 + 3SOD SOD61525 -2.822 -1.822 -1.680 + 4SOD SOD61526 0.397 4.315 0.206 + 5SOD SOD61527 1.016 -1.430 -1.921 + 6SOD SOD61528 -2.856 -1.053 -0.754 + 7SOD SOD61529 0.094 0.370 4.192 + 8SOD SOD61530 2.908 -2.105 -2.933 + 9SOD SOD61531 -0.146 -3.133 -1.846 + 10SOD SOD61532 1.534 -0.498 1.891 + 11SOD SOD61533 -1.598 -2.489 1.463 + 12SOD SOD61534 -2.935 -1.085 -2.828 + 13SOD SOD61535 3.512 -1.722 1.006 + 14SOD SOD61536 -1.885 -3.724 1.031 + 15SOD SOD61537 -2.225 0.340 2.026 + 16SOD SOD61538 3.269 0.747 -0.948 + 17SOD SOD61539 3.158 -0.951 1.851 + 18SOD SOD61540 1.889 0.873 -1.924 + 19SOD SOD61541 -0.558 -0.850 3.619 + 20SOD SOD61542 0.858 1.305 -2.635 + 21SOD SOD61543 -3.209 3.370 1.664 + 22SOD SOD61544 -0.422 2.515 -4.272 + 23SOD SOD61545 -1.879 4.014 0.409 + 24SOD SOD61546 -3.358 -2.245 -3.811 + 25SOD SOD61547 -3.299 -0.324 1.475 + 26SOD SOD61548 -0.952 -2.303 -1.771 + 27SOD SOD61549 2.911 -1.052 -2.758 + 28SOD SOD61550 -0.267 -3.306 4.262 + 29SOD SOD61551 0.918 3.695 -1.899 + 30SOD SOD61552 -4.299 -0.431 -2.667 + 31SOD SOD61553 -0.718 1.652 2.890 + 32SOD SOD61554 -0.020 -2.170 0.131 + 33SOD SOD61555 3.200 0.124 2.221 + 34SOD SOD61556 3.427 1.930 -0.342 + 35SOD SOD61557 2.597 1.086 2.528 + 36SOD SOD61558 3.870 0.669 4.127 + 37SOD SOD61559 -4.168 -3.429 -1.413 + 38SOD SOD61560 0.551 -2.355 -0.171 + 39SOD SOD61561 -2.804 0.774 1.028 + 40SOD SOD61562 2.839 -3.487 3.061 + 41SOD SOD61563 0.475 -2.268 1.454 + 42SOD SOD61564 -0.047 2.795 -1.594 + 43SOD SOD61565 -3.119 1.785 -0.175 + 44SOD SOD61566 3.692 3.565 2.568 + 45SOD SOD61567 1.160 -2.677 0.405 + 46SOD SOD61568 2.182 2.098 -4.358 + 47SOD SOD61569 2.499 -3.552 3.622 + 48SOD SOD61570 -3.150 2.637 2.545 + 49SOD SOD61571 -3.611 -1.369 -0.304 + 50SOD SOD61572 3.179 4.217 -1.914 + 51SOD SOD61573 -1.544 3.385 3.985 + 52SOD SOD61574 3.906 3.226 3.286 + 53SOD SOD61575 -1.400 1.258 -2.542 + 54SOD SOD61576 0.624 4.043 2.421 + 55SOD SOD61577 -0.572 -3.952 2.807 + 56SOD SOD61578 -2.287 2.496 -1.486 + 57SOD SOD61579 -4.296 -1.353 4.117 + 58SOD SOD61580 4.009 2.333 -1.543 + 59SOD SOD61581 3.981 3.781 -3.393 + 60SOD SOD61582 -2.801 -0.902 2.131 + 61SOD SOD61583 0.054 2.141 -3.123 + 62SOD SOD61584 1.742 -1.695 -3.684 + 63SOD SOD61585 -1.328 3.677 3.172 + 64SOD SOD61586 2.023 -1.550 1.871 + 65SOD SOD61587 -3.781 1.811 2.706 + 66SOD SOD61588 -1.564 0.724 2.624 + 67SOD SOD61589 -1.457 -1.438 1.916 + 68SOD SOD61590 3.938 -1.495 -0.104 + 69SOD SOD61591 -4.177 0.685 -3.156 + 70SOD SOD61592 -3.475 -2.557 3.364 + 71SOD SOD61593 3.843 -1.704 1.945 + 72SOD SOD61594 -3.065 1.131 -3.142 + 73SOD SOD61595 2.911 3.091 3.254 + 74SOD SOD61596 -0.146 -3.447 -3.468 + 75SOD SOD61597 4.142 1.150 2.128 + 1CLA CLA61598 3.723 3.931 -0.432 + 2CLA CLA61599 0.598 -3.410 -1.411 + 3CLA CLA61600 0.305 -4.033 0.027 + 4CLA CLA61601 -2.918 -1.991 -2.129 + 5CLA CLA61602 3.212 2.681 -1.461 + 6CLA CLA61603 -1.276 3.890 3.970 + 7CLA CLA61604 -4.135 -0.631 -2.109 + 8CLA CLA61605 -4.010 1.992 2.188 + 9CLA CLA61606 -3.787 -1.064 -2.665 + 10CLA CLA61607 -2.251 4.155 1.278 + 11CLA CLA61608 3.522 3.373 -3.509 + 12CLA CLA61609 -4.010 0.565 -0.240 + 13CLA CLA61610 3.902 -1.240 -4.037 + 14CLA CLA61611 1.826 -3.945 2.374 + 15CLA CLA61612 0.618 4.143 -3.510 + 16CLA CLA61613 2.436 1.511 3.939 + 17CLA CLA61614 0.689 2.163 -1.864 + 18CLA CLA61615 2.174 0.614 3.695 + 19CLA CLA61616 3.731 -0.836 3.639 + 20CLA CLA61617 -0.300 -2.083 2.310 + 21CLA CLA61618 0.286 1.863 -2.782 + 22CLA CLA61619 0.444 -1.592 4.280 + 23CLA CLA61620 -3.682 -0.965 2.751 + 24CLA CLA61621 3.059 -2.653 -1.385 + 25CLA CLA61622 0.268 1.480 3.096 + 26CLA CLA61623 2.985 -1.145 -1.289 + 27CLA CLA61624 4.257 -1.638 3.915 + 28CLA CLA61625 2.109 2.268 2.707 + 29CLA CLA61626 3.148 2.184 -0.946 + 30CLA CLA61627 -4.279 3.311 -4.200 + 31CLA CLA61628 4.121 2.646 2.804 + 32CLA CLA61629 3.133 -2.321 3.087 + 33CLA CLA61630 -1.188 2.475 1.768 + 34CLA CLA61631 4.251 4.197 2.967 + 35CLA CLA61632 -2.115 -2.591 4.099 + 36CLA CLA61633 -1.664 3.340 -2.049 + 37CLA CLA61634 2.401 1.685 0.376 + 38CLA CLA61635 -0.304 -2.623 -0.695 + 39CLA CLA61636 -2.524 -2.953 -1.453 + 40CLA CLA61637 3.494 -2.888 -3.669 + 41CLA CLA61638 -3.591 -0.671 0.327 + 42CLA CLA61639 -3.097 0.461 -3.295 + 43CLA CLA61640 -0.581 1.524 4.242 + 44CLA CLA61641 3.940 1.881 -1.383 + 45CLA CLA61642 -1.581 2.921 -3.738 + 46CLA CLA61643 0.009 -3.649 -3.486 + 47CLA CLA61644 -1.288 -4.010 3.837 + 48CLA CLA61645 -2.419 1.919 3.696 + 49CLA CLA61646 1.622 -1.819 -2.941 + 50CLA CLA61647 3.465 -0.771 -3.287 + 51CLA CLA61648 -2.032 -3.900 0.685 + 52CLA CLA61649 -2.845 0.061 -2.584 + 0.00000 0.00000 0.00000
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/test.pdb Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,61655 @@ +REMARK FILENAME: MINIMIZE.INP +REMARK PURPOSE: SETUP PERIODIC BOUNDARY CONDITIONS AND ENERGY MINIMIZATION +REMARK AUTHOR: THARINDU SENAPATHI +REMARK DATE: 9/25/18 11:16:58 CREATED BY USER: galaxy +ATOM 1 N SER 2 23.711 4.396 5.292 1.00 0.00 PRO +ATOM 2 HT1 SER 2 22.774 4.012 5.048 1.00 0.00 PRO +ATOM 3 HT2 SER 2 23.993 4.056 6.233 1.00 0.00 PRO +ATOM 4 HT3 SER 2 24.412 4.016 4.606 1.00 0.00 PRO +ATOM 5 CA SER 2 23.692 5.909 5.232 1.00 0.00 PRO +ATOM 6 HA SER 2 23.045 6.255 6.026 1.00 0.00 PRO +ATOM 7 CB SER 2 25.129 6.479 5.468 1.00 0.00 PRO +ATOM 8 HB1 SER 2 25.502 6.112 6.451 1.00 0.00 PRO +ATOM 9 HB2 SER 2 25.108 7.590 5.522 1.00 0.00 PRO +ATOM 10 OG SER 2 26.032 6.062 4.445 1.00 0.00 PRO +ATOM 11 HG1 SER 2 26.928 6.382 4.649 1.00 0.00 PRO +ATOM 12 C SER 2 23.087 6.445 3.945 1.00 0.00 PRO +ATOM 13 O SER 2 22.287 5.741 3.315 1.00 0.00 PRO +ATOM 14 N ALA 3 23.417 7.674 3.515 1.00 0.00 PRO +ATOM 15 HN ALA 3 24.112 8.236 3.961 1.00 0.00 PRO +ATOM 16 CA ALA 3 22.937 8.280 2.293 1.00 0.00 PRO +ATOM 17 HA ALA 3 22.421 7.554 1.681 1.00 0.00 PRO +ATOM 18 CB ALA 3 22.012 9.476 2.583 1.00 0.00 PRO +ATOM 19 HB1 ALA 3 22.509 10.220 3.241 1.00 0.00 PRO +ATOM 20 HB2 ALA 3 21.086 9.125 3.082 1.00 0.00 PRO +ATOM 21 HB3 ALA 3 21.718 9.984 1.638 1.00 0.00 PRO +ATOM 22 C ALA 3 24.147 8.753 1.509 1.00 0.00 PRO +ATOM 23 O ALA 3 25.174 9.077 2.073 1.00 0.00 PRO +ATOM 24 N CYS 4 24.005 8.749 0.169 1.00 0.00 PRO +ATOM 25 HN CYS 4 23.142 8.478 -0.258 1.00 0.00 PRO +ATOM 26 CA CYS 4 25.025 9.149 -0.766 1.00 0.00 PRO +ATOM 27 HA CYS 4 25.769 9.761 -0.272 1.00 0.00 PRO +ATOM 28 CB CYS 4 25.700 7.948 -1.484 1.00 0.00 PRO +ATOM 29 HB1 CYS 4 26.256 8.290 -2.382 1.00 0.00 PRO +ATOM 30 HB2 CYS 4 24.907 7.257 -1.851 1.00 0.00 PRO +ATOM 31 SG CYS 4 26.887 7.076 -0.411 1.00 0.00 PRO +ATOM 32 C CYS 4 24.341 10.034 -1.774 1.00 0.00 PRO +ATOM 33 O CYS 4 23.104 10.106 -1.853 1.00 0.00 PRO +ATOM 34 N THR 5 25.135 10.817 -2.507 1.00 0.00 PRO +ATOM 35 HN THR 5 26.125 10.731 -2.426 1.00 0.00 PRO +ATOM 36 CA THR 5 24.625 11.886 -3.343 1.00 0.00 PRO +ATOM 37 HA THR 5 23.595 11.683 -3.608 1.00 0.00 PRO +ATOM 38 CB THR 5 24.715 13.266 -2.674 1.00 0.00 PRO +ATOM 39 HB THR 5 24.358 14.060 -3.371 1.00 0.00 PRO +ATOM 40 OG1 THR 5 26.051 13.580 -2.272 1.00 0.00 PRO +ATOM 41 HG1 THR 5 26.535 13.523 -3.104 1.00 0.00 PRO +ATOM 42 CG2 THR 5 23.787 13.298 -1.447 1.00 0.00 PRO +ATOM 43 HG21 THR 5 24.126 12.589 -0.663 1.00 0.00 PRO +ATOM 44 HG22 THR 5 22.759 13.003 -1.749 1.00 0.00 PRO +ATOM 45 HG23 THR 5 23.752 14.313 -1.003 1.00 0.00 PRO +ATOM 46 C THR 5 25.385 11.902 -4.645 1.00 0.00 PRO +ATOM 47 O THR 5 25.810 12.965 -5.114 1.00 0.00 PRO +ATOM 48 N LEU 6 25.586 10.724 -5.272 1.00 0.00 PRO +ATOM 49 HN LEU 6 25.215 9.852 -4.893 1.00 0.00 PRO +ATOM 50 CA LEU 6 26.127 10.638 -6.616 1.00 0.00 PRO +ATOM 51 HA LEU 6 26.932 11.352 -6.725 1.00 0.00 PRO +ATOM 52 CB LEU 6 26.641 9.208 -6.941 1.00 0.00 PRO +ATOM 53 HB1 LEU 6 27.042 9.192 -7.977 1.00 0.00 PRO +ATOM 54 HB2 LEU 6 25.782 8.500 -6.874 1.00 0.00 PRO +ATOM 55 CG LEU 6 27.743 8.665 -6.003 1.00 0.00 PRO +ATOM 56 HG LEU 6 27.331 8.646 -4.964 1.00 0.00 PRO +ATOM 57 CD1 LEU 6 28.096 7.216 -6.379 1.00 0.00 PRO +ATOM 58 HD11 LEU 6 28.491 7.158 -7.414 1.00 0.00 PRO +ATOM 59 HD12 LEU 6 27.183 6.581 -6.314 1.00 0.00 PRO +ATOM 60 HD13 LEU 6 28.850 6.801 -5.679 1.00 0.00 PRO +ATOM 61 CD2 LEU 6 29.003 9.544 -6.018 1.00 0.00 PRO +ATOM 62 HD21 LEU 6 28.768 10.560 -5.636 1.00 0.00 PRO +ATOM 63 HD22 LEU 6 29.391 9.638 -7.053 1.00 0.00 PRO +ATOM 64 HD23 LEU 6 29.792 9.101 -5.375 1.00 0.00 PRO +ATOM 65 C LEU 6 25.048 11.016 -7.626 1.00 0.00 PRO +ATOM 66 O LEU 6 25.294 11.577 -8.684 1.00 0.00 PRO +ATOM 67 N GLN 7 23.781 10.752 -7.255 1.00 0.00 PRO +ATOM 68 HN GLN 7 23.571 10.241 -6.407 1.00 0.00 PRO +ATOM 69 CA GLN 7 22.620 11.133 -8.008 1.00 0.00 PRO +ATOM 70 HA GLN 7 22.910 11.663 -8.902 1.00 0.00 PRO +ATOM 71 CB GLN 7 21.779 9.898 -8.395 1.00 0.00 PRO +ATOM 72 HB1 GLN 7 20.982 10.215 -9.102 1.00 0.00 PRO +ATOM 73 HB2 GLN 7 21.285 9.484 -7.486 1.00 0.00 PRO +ATOM 74 CG GLN 7 22.652 8.783 -9.015 1.00 0.00 PRO +ATOM 75 HG1 GLN 7 23.330 8.342 -8.253 1.00 0.00 PRO +ATOM 76 HG2 GLN 7 23.266 9.210 -9.835 1.00 0.00 PRO +ATOM 77 CD GLN 7 21.807 7.667 -9.619 1.00 0.00 PRO +ATOM 78 OE1 GLN 7 21.902 7.436 -10.823 1.00 0.00 PRO +ATOM 79 NE2 GLN 7 20.967 7.008 -8.795 1.00 0.00 PRO +ATOM 80 HE21 GLN 7 20.851 7.309 -7.850 1.00 0.00 PRO +ATOM 81 HE22 GLN 7 20.348 6.341 -9.206 1.00 0.00 PRO +ATOM 82 C GLN 7 21.833 12.073 -7.121 1.00 0.00 PRO +ATOM 83 O GLN 7 21.760 11.941 -5.900 1.00 0.00 PRO +ATOM 84 N SER 8 21.249 13.130 -7.698 1.00 0.00 PRO +ATOM 85 HN SER 8 21.201 13.257 -8.683 1.00 0.00 PRO +ATOM 86 CA SER 8 20.490 14.080 -6.917 1.00 0.00 PRO +ATOM 87 HA SER 8 21.020 14.262 -5.992 1.00 0.00 PRO +ATOM 88 CB SER 8 20.347 15.443 -7.632 1.00 0.00 PRO +ATOM 89 HB1 SER 8 21.370 15.877 -7.706 1.00 0.00 PRO +ATOM 90 HB2 SER 8 19.708 16.147 -7.054 1.00 0.00 PRO +ATOM 91 OG SER 8 19.868 15.302 -8.970 1.00 0.00 PRO +ATOM 92 HG1 SER 8 18.972 14.930 -8.936 1.00 0.00 PRO +ATOM 93 C SER 8 19.127 13.556 -6.533 1.00 0.00 PRO +ATOM 94 O SER 8 18.357 13.117 -7.389 1.00 0.00 PRO +ATOM 95 N GLU 9 18.782 13.614 -5.238 1.00 0.00 PRO +ATOM 96 HN GLU 9 19.389 13.991 -4.543 1.00 0.00 PRO +ATOM 97 CA GLU 9 17.466 13.247 -4.769 1.00 0.00 PRO +ATOM 98 HA GLU 9 17.031 12.520 -5.444 1.00 0.00 PRO +ATOM 99 CB GLU 9 17.489 12.626 -3.349 1.00 0.00 PRO +ATOM 100 HB1 GLU 9 18.034 13.313 -2.665 1.00 0.00 PRO +ATOM 101 HB2 GLU 9 18.079 11.684 -3.400 1.00 0.00 PRO +ATOM 102 CG GLU 9 16.085 12.301 -2.752 1.00 0.00 PRO +ATOM 103 HG1 GLU 9 15.474 13.218 -2.645 1.00 0.00 PRO +ATOM 104 HG2 GLU 9 16.213 11.879 -1.732 1.00 0.00 PRO +ATOM 105 CD GLU 9 15.327 11.259 -3.579 1.00 0.00 PRO +ATOM 106 OE1 GLU 9 15.926 10.586 -4.419 1.00 0.00 PRO +ATOM 107 OE2 GLU 9 14.079 11.058 -3.353 1.00 0.00 PRO +ATOM 108 C GLU 9 16.598 14.478 -4.811 1.00 0.00 PRO +ATOM 109 O GLU 9 16.942 15.526 -4.263 1.00 0.00 PRO +ATOM 110 N THR 10 15.485 14.410 -5.551 1.00 0.00 PRO +ATOM 111 HN THR 10 15.220 13.544 -5.975 1.00 0.00 PRO +ATOM 112 CA THR 10 14.551 15.513 -5.662 1.00 0.00 PRO +ATOM 113 HA THR 10 14.639 16.163 -4.804 1.00 0.00 PRO +ATOM 114 CB THR 10 14.706 16.316 -6.950 1.00 0.00 PRO +ATOM 115 HB THR 10 14.619 15.633 -7.828 1.00 0.00 PRO +ATOM 116 OG1 THR 10 15.992 16.928 -6.999 1.00 0.00 PRO +ATOM 117 HG1 THR 10 16.583 16.237 -6.682 1.00 0.00 PRO +ATOM 118 CG2 THR 10 13.652 17.430 -7.061 1.00 0.00 PRO +ATOM 119 HG21 THR 10 13.615 18.024 -6.124 1.00 0.00 PRO +ATOM 120 HG22 THR 10 12.642 17.004 -7.241 1.00 0.00 PRO +ATOM 121 HG23 THR 10 13.905 18.104 -7.906 1.00 0.00 PRO +ATOM 122 C THR 10 13.176 14.915 -5.640 1.00 0.00 PRO +ATOM 123 O THR 10 12.838 14.098 -6.486 1.00 0.00 PRO +ATOM 124 N HSD 11 12.346 15.321 -4.667 1.00 0.00 PRO +ATOM 125 HN HSD 11 12.649 15.974 -3.975 1.00 0.00 PRO +ATOM 126 CA HSD 11 11.023 14.768 -4.478 1.00 0.00 PRO +ATOM 127 HA HSD 11 11.053 13.705 -4.685 1.00 0.00 PRO +ATOM 128 CB HSD 11 10.600 14.949 -3.006 1.00 0.00 PRO +ATOM 129 HB1 HSD 11 9.633 14.441 -2.806 1.00 0.00 PRO +ATOM 130 HB2 HSD 11 10.481 16.032 -2.785 1.00 0.00 PRO +ATOM 131 ND1 HSD 11 12.230 15.134 -1.063 1.00 0.00 PRO +ATOM 132 HD1 HSD 11 12.145 16.120 -0.898 1.00 0.00 PRO +ATOM 133 CG HSD 11 11.611 14.393 -2.043 1.00 0.00 PRO +ATOM 134 CE1 HSD 11 12.976 14.266 -0.329 1.00 0.00 PRO +ATOM 135 HE1 HSD 11 13.562 14.554 0.541 1.00 0.00 PRO +ATOM 136 NE2 HSD 11 12.876 13.040 -0.775 1.00 0.00 PRO +ATOM 137 CD2 HSD 11 12.012 13.103 -1.855 1.00 0.00 PRO +ATOM 138 HD2 HSD 11 11.739 12.209 -2.395 1.00 0.00 PRO +ATOM 139 C HSD 11 10.010 15.460 -5.377 1.00 0.00 PRO +ATOM 140 O HSD 11 9.957 16.715 -5.351 1.00 0.00 PRO +ATOM 141 N PRO 12 9.189 14.808 -6.198 1.00 0.00 PRO +ATOM 142 CD PRO 12 9.387 13.417 -6.628 1.00 0.00 PRO +ATOM 143 HD1 PRO 12 9.010 12.734 -5.838 1.00 0.00 PRO +ATOM 144 HD2 PRO 12 10.460 13.203 -6.823 1.00 0.00 PRO +ATOM 145 CA PRO 12 8.109 15.450 -6.935 1.00 0.00 PRO +ATOM 146 HA PRO 12 8.587 16.160 -7.584 1.00 0.00 PRO +ATOM 147 CB PRO 12 7.448 14.316 -7.735 1.00 0.00 PRO +ATOM 148 HB1 PRO 12 7.061 14.666 -8.714 1.00 0.00 PRO +ATOM 149 HB2 PRO 12 6.612 13.856 -7.165 1.00 0.00 PRO +ATOM 150 CG PRO 12 8.556 13.272 -7.904 1.00 0.00 PRO +ATOM 151 HG1 PRO 12 8.155 12.245 -8.028 1.00 0.00 PRO +ATOM 152 HG2 PRO 12 9.179 13.526 -8.787 1.00 0.00 PRO +ATOM 153 C PRO 12 7.118 16.192 -6.031 1.00 0.00 PRO +ATOM 154 O PRO 12 6.596 15.538 -5.132 1.00 0.00 PRO +ATOM 155 N PRO 13 6.824 17.487 -6.179 1.00 0.00 PRO +ATOM 156 CD PRO 13 7.274 18.328 -7.289 1.00 0.00 PRO +ATOM 157 HD1 PRO 13 7.217 17.796 -8.265 1.00 0.00 PRO +ATOM 158 HD2 PRO 13 8.316 18.644 -7.070 1.00 0.00 PRO +ATOM 159 CA PRO 13 5.822 18.167 -5.371 1.00 0.00 PRO +ATOM 160 HA PRO 13 6.053 18.028 -4.324 1.00 0.00 PRO +ATOM 161 CB PRO 13 5.937 19.635 -5.804 1.00 0.00 PRO +ATOM 162 HB1 PRO 13 6.765 20.110 -5.230 1.00 0.00 PRO +ATOM 163 HB2 PRO 13 5.006 20.213 -5.633 1.00 0.00 PRO +ATOM 164 CG PRO 13 6.333 19.534 -7.275 1.00 0.00 PRO +ATOM 165 HG1 PRO 13 5.428 19.296 -7.870 1.00 0.00 PRO +ATOM 166 HG2 PRO 13 6.803 20.455 -7.671 1.00 0.00 PRO +ATOM 167 C PRO 13 4.436 17.610 -5.597 1.00 0.00 PRO +ATOM 168 O PRO 13 4.103 17.236 -6.732 1.00 0.00 PRO +ATOM 169 N LEU 14 3.621 17.546 -4.544 1.00 0.00 PRO +ATOM 170 HN LEU 14 3.933 17.852 -3.638 1.00 0.00 PRO +ATOM 171 CA LEU 14 2.247 17.128 -4.654 1.00 0.00 PRO +ATOM 172 HA LEU 14 1.881 17.345 -5.649 1.00 0.00 PRO +ATOM 173 CB LEU 14 2.101 15.617 -4.348 1.00 0.00 PRO +ATOM 174 HB1 LEU 14 2.463 15.421 -3.314 1.00 0.00 PRO +ATOM 175 HB2 LEU 14 2.775 15.063 -5.040 1.00 0.00 PRO +ATOM 176 CG LEU 14 0.680 15.037 -4.504 1.00 0.00 PRO +ATOM 177 HG LEU 14 -0.020 15.602 -3.841 1.00 0.00 PRO +ATOM 178 CD1 LEU 14 0.169 15.144 -5.948 1.00 0.00 PRO +ATOM 179 HD11 LEU 14 0.869 14.639 -6.646 1.00 0.00 PRO +ATOM 180 HD12 LEU 14 0.063 16.203 -6.258 1.00 0.00 PRO +ATOM 181 HD13 LEU 14 -0.824 14.651 -6.039 1.00 0.00 PRO +ATOM 182 CD2 LEU 14 0.660 13.570 -4.055 1.00 0.00 PRO +ATOM 183 HD21 LEU 14 1.030 13.476 -3.013 1.00 0.00 PRO +ATOM 184 HD22 LEU 14 1.306 12.953 -4.715 1.00 0.00 PRO +ATOM 185 HD23 LEU 14 -0.374 13.169 -4.098 1.00 0.00 PRO +ATOM 186 C LEU 14 1.441 17.965 -3.688 1.00 0.00 PRO +ATOM 187 O LEU 14 1.741 18.061 -2.500 1.00 0.00 PRO +ATOM 188 N THR 15 0.391 18.635 -4.191 1.00 0.00 PRO +ATOM 189 HN THR 15 0.154 18.599 -5.162 1.00 0.00 PRO +ATOM 190 CA THR 15 -0.461 19.457 -3.349 1.00 0.00 PRO +ATOM 191 HA THR 15 0.070 19.703 -2.441 1.00 0.00 PRO +ATOM 192 CB THR 15 -0.862 20.801 -3.947 1.00 0.00 PRO +ATOM 193 HB THR 15 -1.463 21.372 -3.203 1.00 0.00 PRO +ATOM 194 OG1 THR 15 -1.620 20.699 -5.145 1.00 0.00 PRO +ATOM 195 HG1 THR 15 -1.937 21.600 -5.287 1.00 0.00 PRO +ATOM 196 CG2 THR 15 0.409 21.604 -4.259 1.00 0.00 PRO +ATOM 197 HG21 THR 15 1.034 21.087 -5.019 1.00 0.00 PRO +ATOM 198 HG22 THR 15 1.013 21.738 -3.337 1.00 0.00 PRO +ATOM 199 HG23 THR 15 0.153 22.610 -4.651 1.00 0.00 PRO +ATOM 200 C THR 15 -1.686 18.687 -2.919 1.00 0.00 PRO +ATOM 201 O THR 15 -2.102 17.703 -3.519 1.00 0.00 PRO +ATOM 202 N TRP 16 -2.291 19.128 -1.809 1.00 0.00 PRO +ATOM 203 HN TRP 16 -1.958 19.933 -1.315 1.00 0.00 PRO +ATOM 204 CA TRP 16 -3.428 18.459 -1.235 1.00 0.00 PRO +ATOM 205 HA TRP 16 -4.091 18.146 -2.032 1.00 0.00 PRO +ATOM 206 CB TRP 16 -3.026 17.205 -0.396 1.00 0.00 PRO +ATOM 207 HB1 TRP 16 -2.566 16.476 -1.100 1.00 0.00 PRO +ATOM 208 HB2 TRP 16 -3.945 16.718 -0.006 1.00 0.00 PRO +ATOM 209 CG TRP 16 -2.071 17.417 0.738 1.00 0.00 PRO +ATOM 210 CD1 TRP 16 -0.704 17.550 0.659 1.00 0.00 PRO +ATOM 211 HD1 TRP 16 -0.144 17.525 -0.271 1.00 0.00 PRO +ATOM 212 NE1 TRP 16 -0.185 17.692 1.925 1.00 0.00 PRO +ATOM 213 HE1 TRP 16 0.760 17.754 2.180 1.00 0.00 PRO +ATOM 214 CE2 TRP 16 -1.190 17.626 2.843 1.00 0.00 PRO +ATOM 215 CD2 TRP 16 -2.403 17.453 2.137 1.00 0.00 PRO +ATOM 216 CE3 TRP 16 -3.603 17.343 2.844 1.00 0.00 PRO +ATOM 217 HE3 TRP 16 -4.539 17.188 2.330 1.00 0.00 PRO +ATOM 218 CZ3 TRP 16 -3.568 17.415 4.239 1.00 0.00 PRO +ATOM 219 HZ3 TRP 16 -4.493 17.321 4.791 1.00 0.00 PRO +ATOM 220 CZ2 TRP 16 -1.157 17.696 4.226 1.00 0.00 PRO +ATOM 221 HZ2 TRP 16 -0.223 17.826 4.754 1.00 0.00 PRO +ATOM 222 CH2 TRP 16 -2.364 17.575 4.918 1.00 0.00 PRO +ATOM 223 HH2 TRP 16 -2.355 17.579 5.997 1.00 0.00 PRO +ATOM 224 C TRP 16 -4.181 19.500 -0.439 1.00 0.00 PRO +ATOM 225 O TRP 16 -3.735 20.649 -0.311 1.00 0.00 PRO +ATOM 226 N GLN 17 -5.373 19.167 0.056 1.00 0.00 PRO +ATOM 227 HN GLN 17 -5.732 18.240 -0.097 1.00 0.00 PRO +ATOM 228 CA GLN 17 -6.256 20.100 0.724 1.00 0.00 PRO +ATOM 229 HA GLN 17 -5.833 21.093 0.726 1.00 0.00 PRO +ATOM 230 CB GLN 17 -7.642 20.124 0.032 1.00 0.00 PRO +ATOM 231 HB1 GLN 17 -8.375 20.686 0.654 1.00 0.00 PRO +ATOM 232 HB2 GLN 17 -8.002 19.076 -0.034 1.00 0.00 PRO +ATOM 233 CG GLN 17 -7.637 20.726 -1.392 1.00 0.00 PRO +ATOM 234 HG1 GLN 17 -8.635 20.582 -1.855 1.00 0.00 PRO +ATOM 235 HG2 GLN 17 -6.887 20.209 -2.023 1.00 0.00 PRO +ATOM 236 CD GLN 17 -7.384 22.234 -1.348 1.00 0.00 PRO +ATOM 237 OE1 GLN 17 -8.084 22.953 -0.633 1.00 0.00 PRO +ATOM 238 NE2 GLN 17 -6.416 22.743 -2.147 1.00 0.00 PRO +ATOM 239 HE21 GLN 17 -6.339 23.736 -2.184 1.00 0.00 PRO +ATOM 240 HE22 GLN 17 -5.919 22.141 -2.773 1.00 0.00 PRO +ATOM 241 C GLN 17 -6.473 19.689 2.166 1.00 0.00 PRO +ATOM 242 O GLN 17 -6.720 18.544 2.474 1.00 0.00 PRO +ATOM 243 N LYS 18 -6.429 20.684 3.084 1.00 0.00 PRO +ATOM 244 HN LYS 18 -6.218 21.623 2.820 1.00 0.00 PRO +ATOM 245 CA LYS 18 -6.812 20.438 4.456 1.00 0.00 PRO +ATOM 246 HA LYS 18 -7.043 19.394 4.608 1.00 0.00 PRO +ATOM 247 CB LYS 18 -5.718 20.824 5.476 1.00 0.00 PRO +ATOM 248 HB1 LYS 18 -5.574 21.925 5.479 1.00 0.00 PRO +ATOM 249 HB2 LYS 18 -4.765 20.363 5.131 1.00 0.00 PRO +ATOM 250 CG LYS 18 -6.023 20.289 6.889 1.00 0.00 PRO +ATOM 251 HG1 LYS 18 -5.987 19.178 6.847 1.00 0.00 PRO +ATOM 252 HG2 LYS 18 -7.059 20.576 7.186 1.00 0.00 PRO +ATOM 253 CD LYS 18 -5.051 20.821 7.952 1.00 0.00 PRO +ATOM 254 HD1 LYS 18 -5.244 21.913 8.045 1.00 0.00 PRO +ATOM 255 HD2 LYS 18 -3.999 20.709 7.610 1.00 0.00 PRO +ATOM 256 CE LYS 18 -5.232 20.216 9.359 1.00 0.00 PRO +ATOM 257 HE1 LYS 18 -6.292 20.304 9.668 1.00 0.00 PRO +ATOM 258 HE2 LYS 18 -4.600 20.778 10.071 1.00 0.00 PRO +ATOM 259 NZ LYS 18 -4.841 18.790 9.433 1.00 0.00 PRO +ATOM 260 HZ1 LYS 18 -3.823 18.698 9.162 1.00 0.00 PRO +ATOM 261 HZ2 LYS 18 -5.430 18.231 8.792 1.00 0.00 PRO +ATOM 262 HZ3 LYS 18 -4.939 18.418 10.401 1.00 0.00 PRO +ATOM 263 C LYS 18 -8.072 21.226 4.708 1.00 0.00 PRO +ATOM 264 O LYS 18 -8.096 22.467 4.574 1.00 0.00 PRO +ATOM 265 N CYS 19 -9.157 20.528 5.034 1.00 0.00 PRO +ATOM 266 HN CYS 19 -9.075 19.529 5.166 1.00 0.00 PRO +ATOM 267 CA CYS 19 -10.480 21.079 5.219 1.00 0.00 PRO +ATOM 268 HA CYS 19 -10.508 22.076 4.814 1.00 0.00 PRO +ATOM 269 CB CYS 19 -11.559 20.246 4.494 1.00 0.00 PRO +ATOM 270 HB1 CYS 19 -12.566 20.689 4.653 1.00 0.00 PRO +ATOM 271 HB2 CYS 19 -11.583 19.220 4.918 1.00 0.00 PRO +ATOM 272 SG CYS 19 -11.246 20.124 2.705 1.00 0.00 PRO +ATOM 273 C CYS 19 -10.796 21.215 6.695 1.00 0.00 PRO +ATOM 274 O CYS 19 -10.115 20.696 7.567 1.00 0.00 PRO +ATOM 275 N SER 20 -11.845 21.998 6.997 1.00 0.00 PRO +ATOM 276 HN SER 20 -12.388 22.424 6.277 1.00 0.00 PRO +ATOM 277 CA SER 20 -12.191 22.357 8.353 1.00 0.00 PRO +ATOM 278 HA SER 20 -11.751 21.652 9.045 1.00 0.00 PRO +ATOM 279 CB SER 20 -11.740 23.802 8.702 1.00 0.00 PRO +ATOM 280 HB1 SER 20 -10.636 23.875 8.576 1.00 0.00 PRO +ATOM 281 HB2 SER 20 -11.970 24.042 9.763 1.00 0.00 PRO +ATOM 282 OG SER 20 -12.385 24.777 7.881 1.00 0.00 PRO +ATOM 283 HG1 SER 20 -12.000 24.737 6.986 1.00 0.00 PRO +ATOM 284 C SER 20 -13.683 22.280 8.545 1.00 0.00 PRO +ATOM 285 O SER 20 -14.471 22.294 7.599 1.00 0.00 PRO +ATOM 286 N SER 21 -14.121 22.255 9.813 1.00 0.00 PRO +ATOM 287 HN SER 21 -13.497 22.257 10.593 1.00 0.00 PRO +ATOM 288 CA SER 21 -15.521 22.195 10.186 1.00 0.00 PRO +ATOM 289 HA SER 21 -16.006 21.460 9.559 1.00 0.00 PRO +ATOM 290 CB SER 21 -15.662 21.771 11.666 1.00 0.00 PRO +ATOM 291 HB1 SER 21 -15.213 20.758 11.782 1.00 0.00 PRO +ATOM 292 HB2 SER 21 -16.733 21.693 11.961 1.00 0.00 PRO +ATOM 293 OG SER 21 -14.953 22.679 12.520 1.00 0.00 PRO +ATOM 294 HG1 SER 21 -15.499 23.469 12.602 1.00 0.00 PRO +ATOM 295 C SER 21 -16.247 23.520 10.000 1.00 0.00 PRO +ATOM 296 O SER 21 -17.463 23.602 10.125 1.00 0.00 PRO +ATOM 297 N GLY 22 -15.495 24.608 9.710 1.00 0.00 PRO +ATOM 298 HN GLY 22 -14.504 24.511 9.658 1.00 0.00 PRO +ATOM 299 CA GLY 22 -16.039 25.911 9.330 1.00 0.00 PRO +ATOM 300 HA1 GLY 22 -15.229 26.626 9.359 1.00 0.00 PRO +ATOM 301 HA2 GLY 22 -16.855 26.170 9.989 1.00 0.00 PRO +ATOM 302 C GLY 22 -16.573 25.912 7.922 1.00 0.00 PRO +ATOM 303 O GLY 22 -17.409 26.737 7.550 1.00 0.00 PRO +ATOM 304 N GLY 23 -16.099 24.966 7.092 1.00 0.00 PRO +ATOM 305 HN GLY 23 -15.423 24.314 7.438 1.00 0.00 PRO +ATOM 306 CA GLY 23 -16.609 24.750 5.745 1.00 0.00 PRO +ATOM 307 HA1 GLY 23 -17.557 25.248 5.605 1.00 0.00 PRO +ATOM 308 HA2 GLY 23 -16.676 23.684 5.611 1.00 0.00 PRO +ATOM 309 C GLY 23 -15.673 25.256 4.700 1.00 0.00 PRO +ATOM 310 O GLY 23 -16.087 25.544 3.576 1.00 0.00 PRO +ATOM 311 N THR 24 -14.390 25.391 5.035 1.00 0.00 PRO +ATOM 312 HN THR 24 -14.080 25.192 5.963 1.00 0.00 PRO +ATOM 313 CA THR 24 -13.361 25.906 4.146 1.00 0.00 PRO +ATOM 314 HA THR 24 -13.761 26.018 3.148 1.00 0.00 PRO +ATOM 315 CB THR 24 -12.770 27.246 4.581 1.00 0.00 PRO +ATOM 316 HB THR 24 -11.891 27.527 3.955 1.00 0.00 PRO +ATOM 317 OG1 THR 24 -12.380 27.240 5.954 1.00 0.00 PRO +ATOM 318 HG1 THR 24 -12.155 28.155 6.179 1.00 0.00 PRO +ATOM 319 CG2 THR 24 -13.856 28.315 4.407 1.00 0.00 PRO +ATOM 320 HG21 THR 24 -14.708 28.134 5.096 1.00 0.00 PRO +ATOM 321 HG22 THR 24 -14.243 28.298 3.366 1.00 0.00 PRO +ATOM 322 HG23 THR 24 -13.447 29.326 4.610 1.00 0.00 PRO +ATOM 323 C THR 24 -12.243 24.897 4.059 1.00 0.00 PRO +ATOM 324 O THR 24 -11.960 24.161 4.988 1.00 0.00 PRO +ATOM 325 N CYS 25 -11.574 24.863 2.884 1.00 0.00 PRO +ATOM 326 HN CYS 25 -11.833 25.441 2.118 1.00 0.00 PRO +ATOM 327 CA CYS 25 -10.392 24.063 2.686 1.00 0.00 PRO +ATOM 328 HA CYS 25 -10.076 23.630 3.623 1.00 0.00 PRO +ATOM 329 CB CYS 25 -10.570 22.936 1.634 1.00 0.00 PRO +ATOM 330 HB1 CYS 25 -9.641 22.331 1.575 1.00 0.00 PRO +ATOM 331 HB2 CYS 25 -10.719 23.417 0.644 1.00 0.00 PRO +ATOM 332 SG CYS 25 -12.003 21.847 1.936 1.00 0.00 PRO +ATOM 333 C CYS 25 -9.276 24.982 2.271 1.00 0.00 PRO +ATOM 334 O CYS 25 -9.520 26.111 1.788 1.00 0.00 PRO +ATOM 335 N THR 26 -8.036 24.567 2.505 1.00 0.00 PRO +ATOM 336 HN THR 26 -7.886 23.646 2.880 1.00 0.00 PRO +ATOM 337 CA THR 26 -6.838 25.356 2.269 1.00 0.00 PRO +ATOM 338 HA THR 26 -7.046 26.125 1.540 1.00 0.00 PRO +ATOM 339 CB THR 26 -6.248 25.987 3.538 1.00 0.00 PRO +ATOM 340 HB THR 26 -5.223 26.392 3.344 1.00 0.00 PRO +ATOM 341 OG1 THR 26 -6.205 25.070 4.633 1.00 0.00 PRO +ATOM 342 HG1 THR 26 -7.022 24.562 4.543 1.00 0.00 PRO +ATOM 343 CG2 THR 26 -7.146 27.154 3.973 1.00 0.00 PRO +ATOM 344 HG21 THR 26 -8.155 26.793 4.263 1.00 0.00 PRO +ATOM 345 HG22 THR 26 -7.275 27.881 3.143 1.00 0.00 PRO +ATOM 346 HG23 THR 26 -6.700 27.684 4.842 1.00 0.00 PRO +ATOM 347 C THR 26 -5.793 24.440 1.676 1.00 0.00 PRO +ATOM 348 O THR 26 -5.588 23.337 2.148 1.00 0.00 PRO +ATOM 349 N GLN 27 -5.112 24.898 0.593 1.00 0.00 PRO +ATOM 350 HN GLN 27 -5.366 25.755 0.147 1.00 0.00 PRO +ATOM 351 CA GLN 27 -4.015 24.139 0.018 1.00 0.00 PRO +ATOM 352 HA GLN 27 -4.410 23.153 -0.181 1.00 0.00 PRO +ATOM 353 CB GLN 27 -3.550 24.697 -1.360 1.00 0.00 PRO +ATOM 354 HB1 GLN 27 -3.208 25.744 -1.217 1.00 0.00 PRO +ATOM 355 HB2 GLN 27 -4.447 24.727 -2.018 1.00 0.00 PRO +ATOM 356 CG GLN 27 -2.432 23.860 -2.042 1.00 0.00 PRO +ATOM 357 HG1 GLN 27 -2.756 22.799 -2.088 1.00 0.00 PRO +ATOM 358 HG2 GLN 27 -1.488 23.904 -1.459 1.00 0.00 PRO +ATOM 359 CD GLN 27 -2.120 24.305 -3.471 1.00 0.00 PRO +ATOM 360 OE1 GLN 27 -2.335 23.596 -4.454 1.00 0.00 PRO +ATOM 361 NE2 GLN 27 -1.561 25.534 -3.604 1.00 0.00 PRO +ATOM 362 HE21 GLN 27 -1.279 25.825 -4.506 1.00 0.00 PRO +ATOM 363 HE22 GLN 27 -1.232 26.011 -2.789 1.00 0.00 PRO +ATOM 364 C GLN 27 -2.831 23.922 0.956 1.00 0.00 PRO +ATOM 365 O GLN 27 -2.388 24.799 1.704 1.00 0.00 PRO +ATOM 366 N GLN 28 -2.294 22.701 0.927 1.00 0.00 PRO +ATOM 367 HN GLN 28 -2.709 21.991 0.347 1.00 0.00 PRO +ATOM 368 CA GLN 28 -1.105 22.280 1.616 1.00 0.00 PRO +ATOM 369 HA GLN 28 -0.662 23.102 2.167 1.00 0.00 PRO +ATOM 370 CB GLN 28 -1.397 21.063 2.525 1.00 0.00 PRO +ATOM 371 HB1 GLN 28 -0.488 20.812 3.118 1.00 0.00 PRO +ATOM 372 HB2 GLN 28 -1.630 20.184 1.880 1.00 0.00 PRO +ATOM 373 CG GLN 28 -2.607 21.229 3.476 1.00 0.00 PRO +ATOM 374 HG1 GLN 28 -2.697 20.303 4.083 1.00 0.00 PRO +ATOM 375 HG2 GLN 28 -3.540 21.336 2.886 1.00 0.00 PRO +ATOM 376 CD GLN 28 -2.453 22.398 4.449 1.00 0.00 PRO +ATOM 377 OE1 GLN 28 -1.598 22.395 5.329 1.00 0.00 PRO +ATOM 378 NE2 GLN 28 -3.331 23.427 4.344 1.00 0.00 PRO +ATOM 379 HE21 GLN 28 -3.970 23.457 3.570 1.00 0.00 PRO +ATOM 380 HE22 GLN 28 -3.236 24.178 4.980 1.00 0.00 PRO +ATOM 381 C GLN 28 -0.170 21.847 0.508 1.00 0.00 PRO +ATOM 382 O GLN 28 -0.614 21.398 -0.554 1.00 0.00 PRO +ATOM 383 N THR 29 1.149 21.991 0.699 1.00 0.00 PRO +ATOM 384 HN THR 29 1.518 22.297 1.575 1.00 0.00 PRO +ATOM 385 CA THR 29 2.119 21.594 -0.315 1.00 0.00 PRO +ATOM 386 HA THR 29 1.633 21.094 -1.139 1.00 0.00 PRO +ATOM 387 CB THR 29 2.930 22.757 -0.874 1.00 0.00 PRO +ATOM 388 HB THR 29 3.518 23.252 -0.066 1.00 0.00 PRO +ATOM 389 OG1 THR 29 2.064 23.737 -1.438 1.00 0.00 PRO +ATOM 390 HG1 THR 29 1.415 23.925 -0.753 1.00 0.00 PRO +ATOM 391 CG2 THR 29 3.870 22.274 -1.987 1.00 0.00 PRO +ATOM 392 HG21 THR 29 3.305 21.745 -2.782 1.00 0.00 PRO +ATOM 393 HG22 THR 29 4.642 21.578 -1.593 1.00 0.00 PRO +ATOM 394 HG23 THR 29 4.404 23.128 -2.450 1.00 0.00 PRO +ATOM 395 C THR 29 3.066 20.603 0.314 1.00 0.00 PRO +ATOM 396 O THR 29 3.767 20.926 1.256 1.00 0.00 PRO +ATOM 397 N GLY 30 3.077 19.358 -0.219 1.00 0.00 PRO +ATOM 398 HN GLY 30 2.527 19.134 -1.023 1.00 0.00 PRO +ATOM 399 CA GLY 30 3.979 18.297 0.196 1.00 0.00 PRO +ATOM 400 HA1 GLY 30 3.374 17.465 0.530 1.00 0.00 PRO +ATOM 401 HA2 GLY 30 4.682 18.641 0.942 1.00 0.00 PRO +ATOM 402 C GLY 30 4.762 17.829 -0.992 1.00 0.00 PRO +ATOM 403 O GLY 30 4.875 18.519 -2.013 1.00 0.00 PRO +ATOM 404 N SER 31 5.301 16.618 -0.922 1.00 0.00 PRO +ATOM 405 HN SER 31 5.212 16.040 -0.109 1.00 0.00 PRO +ATOM 406 CA SER 31 6.070 16.028 -1.999 1.00 0.00 PRO +ATOM 407 HA SER 31 5.552 16.208 -2.928 1.00 0.00 PRO +ATOM 408 CB SER 31 7.527 16.566 -2.105 1.00 0.00 PRO +ATOM 409 HB1 SER 31 7.476 17.655 -2.332 1.00 0.00 PRO +ATOM 410 HB2 SER 31 8.051 16.072 -2.951 1.00 0.00 PRO +ATOM 411 OG SER 31 8.256 16.386 -0.888 1.00 0.00 PRO +ATOM 412 HG1 SER 31 9.159 16.705 -1.014 1.00 0.00 PRO +ATOM 413 C SER 31 6.030 14.535 -1.776 1.00 0.00 PRO +ATOM 414 O SER 31 5.547 14.087 -0.745 1.00 0.00 PRO +ATOM 415 N VAL 32 6.465 13.729 -2.769 1.00 0.00 PRO +ATOM 416 HN VAL 32 6.814 14.104 -3.623 1.00 0.00 PRO +ATOM 417 CA VAL 32 6.449 12.276 -2.662 1.00 0.00 PRO +ATOM 418 HA VAL 32 6.096 12.001 -1.683 1.00 0.00 PRO +ATOM 419 CB VAL 32 5.538 11.572 -3.673 1.00 0.00 PRO +ATOM 420 HB VAL 32 5.636 10.467 -3.543 1.00 0.00 PRO +ATOM 421 CG1 VAL 32 4.072 11.937 -3.366 1.00 0.00 PRO +ATOM 422 HG11 VAL 32 3.903 13.026 -3.498 1.00 0.00 PRO +ATOM 423 HG12 VAL 32 3.819 11.662 -2.319 1.00 0.00 PRO +ATOM 424 HG13 VAL 32 3.390 11.388 -4.049 1.00 0.00 PRO +ATOM 425 CG2 VAL 32 5.910 11.923 -5.126 1.00 0.00 PRO +ATOM 426 HG21 VAL 32 6.954 11.625 -5.356 1.00 0.00 PRO +ATOM 427 HG22 VAL 32 5.802 13.013 -5.299 1.00 0.00 PRO +ATOM 428 HG23 VAL 32 5.238 11.389 -5.831 1.00 0.00 PRO +ATOM 429 C VAL 32 7.857 11.724 -2.755 1.00 0.00 PRO +ATOM 430 O VAL 32 8.701 12.235 -3.483 1.00 0.00 PRO +ATOM 431 N VAL 33 8.141 10.663 -1.979 1.00 0.00 PRO +ATOM 432 HN VAL 33 7.449 10.283 -1.364 1.00 0.00 PRO +ATOM 433 CA VAL 33 9.444 10.027 -1.933 1.00 0.00 PRO +ATOM 434 HA VAL 33 10.053 10.410 -2.736 1.00 0.00 PRO +ATOM 435 CB VAL 33 10.179 10.314 -0.630 1.00 0.00 PRO +ATOM 436 HB VAL 33 10.322 11.418 -0.583 1.00 0.00 PRO +ATOM 437 CG1 VAL 33 9.365 9.882 0.601 1.00 0.00 PRO +ATOM 438 HG11 VAL 33 9.267 8.779 0.642 1.00 0.00 PRO +ATOM 439 HG12 VAL 33 8.353 10.336 0.607 1.00 0.00 PRO +ATOM 440 HG13 VAL 33 9.893 10.214 1.521 1.00 0.00 PRO +ATOM 441 CG2 VAL 33 11.578 9.671 -0.601 1.00 0.00 PRO +ATOM 442 HG21 VAL 33 12.186 10.020 -1.461 1.00 0.00 PRO +ATOM 443 HG22 VAL 33 11.521 8.564 -0.594 1.00 0.00 PRO +ATOM 444 HG23 VAL 33 12.102 9.991 0.326 1.00 0.00 PRO +ATOM 445 C VAL 33 9.296 8.548 -2.184 1.00 0.00 PRO +ATOM 446 O VAL 33 8.388 7.904 -1.649 1.00 0.00 PRO +ATOM 447 N ILE 34 10.145 7.966 -3.051 1.00 0.00 PRO +ATOM 448 HN ILE 34 10.859 8.515 -3.495 1.00 0.00 PRO +ATOM 449 CA ILE 34 10.126 6.542 -3.345 1.00 0.00 PRO +ATOM 450 HA ILE 34 9.099 6.217 -3.295 1.00 0.00 PRO +ATOM 451 CB ILE 34 10.631 6.211 -4.755 1.00 0.00 PRO +ATOM 452 HB ILE 34 10.122 6.919 -5.450 1.00 0.00 PRO +ATOM 453 CG2 ILE 34 12.155 6.442 -4.878 1.00 0.00 PRO +ATOM 454 HG21 ILE 34 12.718 5.711 -4.258 1.00 0.00 PRO +ATOM 455 HG22 ILE 34 12.429 7.466 -4.551 1.00 0.00 PRO +ATOM 456 HG23 ILE 34 12.481 6.321 -5.931 1.00 0.00 PRO +ATOM 457 CG1 ILE 34 10.209 4.788 -5.205 1.00 0.00 PRO +ATOM 458 HG11 ILE 34 9.135 4.643 -4.950 1.00 0.00 PRO +ATOM 459 HG12 ILE 34 10.793 4.028 -4.641 1.00 0.00 PRO +ATOM 460 CD ILE 34 10.373 4.548 -6.711 1.00 0.00 PRO +ATOM 461 HD1 ILE 34 11.443 4.595 -7.005 1.00 0.00 PRO +ATOM 462 HD2 ILE 34 9.812 5.309 -7.294 1.00 0.00 PRO +ATOM 463 HD3 ILE 34 9.984 3.544 -6.988 1.00 0.00 PRO +ATOM 464 C ILE 34 10.855 5.748 -2.274 1.00 0.00 PRO +ATOM 465 O ILE 34 11.863 6.174 -1.714 1.00 0.00 PRO +ATOM 466 N ASP 35 10.302 4.551 -1.978 1.00 0.00 PRO +ATOM 467 HN ASP 35 9.443 4.280 -2.410 1.00 0.00 PRO +ATOM 468 CA ASP 35 10.823 3.595 -1.034 1.00 0.00 PRO +ATOM 469 HA ASP 35 10.842 4.092 -0.073 1.00 0.00 PRO +ATOM 470 CB ASP 35 9.825 2.409 -0.928 1.00 0.00 PRO +ATOM 471 HB1 ASP 35 9.670 1.948 -1.919 1.00 0.00 PRO +ATOM 472 HB2 ASP 35 8.843 2.794 -0.585 1.00 0.00 PRO +ATOM 473 CG ASP 35 10.276 1.336 0.043 1.00 0.00 PRO +ATOM 474 OD1 ASP 35 10.851 0.309 -0.400 1.00 0.00 PRO +ATOM 475 OD2 ASP 35 10.092 1.561 1.260 1.00 0.00 PRO +ATOM 476 C ASP 35 12.264 3.160 -1.299 1.00 0.00 PRO +ATOM 477 O ASP 35 12.757 3.109 -2.435 1.00 0.00 PRO +ATOM 478 N ALA 36 12.987 2.839 -0.216 1.00 0.00 PRO +ATOM 479 HN ALA 36 12.531 2.844 0.681 1.00 0.00 PRO +ATOM 480 CA ALA 36 14.380 2.481 -0.220 1.00 0.00 PRO +ATOM 481 HA ALA 36 14.920 3.321 -0.635 1.00 0.00 PRO +ATOM 482 CB ALA 36 14.848 2.261 1.227 1.00 0.00 PRO +ATOM 483 HB1 ALA 36 14.298 1.416 1.694 1.00 0.00 PRO +ATOM 484 HB2 ALA 36 14.646 3.176 1.826 1.00 0.00 PRO +ATOM 485 HB3 ALA 36 15.938 2.050 1.263 1.00 0.00 PRO +ATOM 486 C ALA 36 14.722 1.272 -1.087 1.00 0.00 PRO +ATOM 487 O ALA 36 15.790 1.216 -1.689 1.00 0.00 PRO +ATOM 488 N ASN 37 13.823 0.260 -1.190 1.00 0.00 PRO +ATOM 489 HN ASN 37 12.922 0.329 -0.736 1.00 0.00 PRO +ATOM 490 CA ASN 37 14.061 -0.928 -2.001 1.00 0.00 PRO +ATOM 491 HA ASN 37 14.986 -1.358 -1.651 1.00 0.00 PRO +ATOM 492 CB ASN 37 12.920 -1.977 -1.885 1.00 0.00 PRO +ATOM 493 HB1 ASN 37 12.922 -2.656 -2.765 1.00 0.00 PRO +ATOM 494 HB2 ASN 37 11.932 -1.474 -1.840 1.00 0.00 PRO +ATOM 495 CG ASN 37 13.118 -2.860 -0.649 1.00 0.00 PRO +ATOM 496 OD1 ASN 37 13.994 -2.646 0.181 1.00 0.00 PRO +ATOM 497 ND2 ASN 37 12.344 -3.976 -0.619 1.00 0.00 PRO +ATOM 498 HD21 ASN 37 12.461 -4.641 0.120 1.00 0.00 PRO +ATOM 499 HD22 ASN 37 11.700 -4.163 -1.351 1.00 0.00 PRO +ATOM 500 C ASN 37 14.318 -0.657 -3.481 1.00 0.00 PRO +ATOM 501 O ASN 37 15.165 -1.310 -4.090 1.00 0.00 PRO +ATOM 502 N TRP 38 13.605 0.328 -4.066 1.00 0.00 PRO +ATOM 503 HN TRP 38 12.969 0.865 -3.514 1.00 0.00 PRO +ATOM 504 CA TRP 38 13.715 0.705 -5.465 1.00 0.00 PRO +ATOM 505 HA TRP 38 13.680 -0.191 -6.070 1.00 0.00 PRO +ATOM 506 CB TRP 38 12.537 1.643 -5.860 1.00 0.00 PRO +ATOM 507 HB1 TRP 38 12.813 2.254 -6.746 1.00 0.00 PRO +ATOM 508 HB2 TRP 38 12.347 2.364 -5.034 1.00 0.00 PRO +ATOM 509 CG TRP 38 11.261 0.931 -6.197 1.00 0.00 PRO +ATOM 510 CD1 TRP 38 10.804 0.723 -7.471 1.00 0.00 PRO +ATOM 511 HD1 TRP 38 11.308 1.061 -8.366 1.00 0.00 PRO +ATOM 512 NE1 TRP 38 9.613 0.039 -7.439 1.00 0.00 PRO +ATOM 513 HE1 TRP 38 9.032 -0.173 -8.204 1.00 0.00 PRO +ATOM 514 CE2 TRP 38 9.276 -0.213 -6.144 1.00 0.00 PRO +ATOM 515 CD2 TRP 38 10.291 0.332 -5.319 1.00 0.00 PRO +ATOM 516 CE3 TRP 38 10.186 0.211 -3.935 1.00 0.00 PRO +ATOM 517 HE3 TRP 38 10.921 0.626 -3.262 1.00 0.00 PRO +ATOM 518 CZ3 TRP 38 9.080 -0.455 -3.406 1.00 0.00 PRO +ATOM 519 HZ3 TRP 38 8.987 -0.551 -2.330 1.00 0.00 PRO +ATOM 520 CZ2 TRP 38 8.178 -0.872 -5.618 1.00 0.00 PRO +ATOM 521 HZ2 TRP 38 7.411 -1.286 -6.256 1.00 0.00 PRO +ATOM 522 CH2 TRP 38 8.092 -0.987 -4.229 1.00 0.00 PRO +ATOM 523 HH2 TRP 38 7.246 -1.495 -3.780 1.00 0.00 PRO +ATOM 524 C TRP 38 15.028 1.399 -5.801 1.00 0.00 PRO +ATOM 525 O TRP 38 15.466 1.443 -6.953 1.00 0.00 PRO +ATOM 526 N ARG 39 15.687 1.977 -4.786 1.00 0.00 PRO +ATOM 527 HN ARG 39 15.331 1.893 -3.856 1.00 0.00 PRO +ATOM 528 CA ARG 39 16.927 2.698 -4.929 1.00 0.00 PRO +ATOM 529 HA ARG 39 16.794 3.369 -5.768 1.00 0.00 PRO +ATOM 530 CB ARG 39 17.234 3.571 -3.690 1.00 0.00 PRO +ATOM 531 HB1 ARG 39 18.174 4.147 -3.859 1.00 0.00 PRO +ATOM 532 HB2 ARG 39 17.395 2.913 -2.807 1.00 0.00 PRO +ATOM 533 CG ARG 39 16.115 4.584 -3.390 1.00 0.00 PRO +ATOM 534 HG1 ARG 39 15.155 4.043 -3.224 1.00 0.00 PRO +ATOM 535 HG2 ARG 39 15.982 5.237 -4.281 1.00 0.00 PRO +ATOM 536 CD ARG 39 16.403 5.441 -2.159 1.00 0.00 PRO +ATOM 537 HD1 ARG 39 17.369 5.977 -2.241 1.00 0.00 PRO +ATOM 538 HD2 ARG 39 16.436 4.804 -1.244 1.00 0.00 PRO +ATOM 539 NE ARG 39 15.253 6.408 -2.025 1.00 0.00 PRO +ATOM 540 HE ARG 39 14.476 6.144 -1.469 1.00 0.00 PRO +ATOM 541 CZ ARG 39 15.206 7.583 -2.637 1.00 0.00 PRO +ATOM 542 NH1 ARG 39 16.123 8.069 -3.390 1.00 0.00 PRO +ATOM 543 HH11 ARG 39 16.959 7.530 -3.579 1.00 0.00 PRO +ATOM 544 HH12 ARG 39 15.998 8.996 -3.800 1.00 0.00 PRO +ATOM 545 NH2 ARG 39 14.100 8.338 -2.434 1.00 0.00 PRO +ATOM 546 HH21 ARG 39 14.118 9.288 -2.759 1.00 0.00 PRO +ATOM 547 HH22 ARG 39 13.364 7.970 -1.903 1.00 0.00 PRO +ATOM 548 C ARG 39 18.145 1.855 -5.259 1.00 0.00 PRO +ATOM 549 O ARG 39 18.267 0.668 -4.938 1.00 0.00 PRO +ATOM 550 N TRP 40 19.126 2.496 -5.917 1.00 0.00 PRO +ATOM 551 HN TRP 40 18.979 3.437 -6.210 1.00 0.00 PRO +ATOM 552 CA TRP 40 20.492 2.028 -5.964 1.00 0.00 PRO +ATOM 553 HA TRP 40 20.484 1.016 -6.348 1.00 0.00 PRO +ATOM 554 CB TRP 40 21.325 2.947 -6.902 1.00 0.00 PRO +ATOM 555 HB1 TRP 40 21.331 3.965 -6.443 1.00 0.00 PRO +ATOM 556 HB2 TRP 40 20.786 3.043 -7.867 1.00 0.00 PRO +ATOM 557 CG TRP 40 22.736 2.556 -7.202 1.00 0.00 PRO +ATOM 558 CD1 TRP 40 23.286 1.293 -7.273 1.00 0.00 PRO +ATOM 559 HD1 TRP 40 22.754 0.374 -7.061 1.00 0.00 PRO +ATOM 560 NE1 TRP 40 24.602 1.386 -7.656 1.00 0.00 PRO +ATOM 561 HE1 TRP 40 25.246 0.644 -7.769 1.00 0.00 PRO +ATOM 562 CE2 TRP 40 24.934 2.696 -7.841 1.00 0.00 PRO +ATOM 563 CD2 TRP 40 23.786 3.470 -7.574 1.00 0.00 PRO +ATOM 564 CE3 TRP 40 23.846 4.861 -7.696 1.00 0.00 PRO +ATOM 565 HE3 TRP 40 23.000 5.485 -7.462 1.00 0.00 PRO +ATOM 566 CZ3 TRP 40 25.056 5.443 -8.087 1.00 0.00 PRO +ATOM 567 HZ3 TRP 40 25.127 6.520 -8.138 1.00 0.00 PRO +ATOM 568 CZ2 TRP 40 26.131 3.272 -8.234 1.00 0.00 PRO +ATOM 569 HZ2 TRP 40 26.999 2.666 -8.430 1.00 0.00 PRO +ATOM 570 CH2 TRP 40 26.177 4.664 -8.356 1.00 0.00 PRO +ATOM 571 HH2 TRP 40 27.100 5.151 -8.646 1.00 0.00 PRO +ATOM 572 C TRP 40 21.107 1.994 -4.566 1.00 0.00 PRO +ATOM 573 O TRP 40 20.947 2.925 -3.772 1.00 0.00 PRO +ATOM 574 N THR 41 21.808 0.898 -4.240 1.00 0.00 PRO +ATOM 575 HN THR 41 21.870 0.123 -4.866 1.00 0.00 PRO +ATOM 576 CA THR 41 22.477 0.717 -2.967 1.00 0.00 PRO +ATOM 577 HA THR 41 22.471 1.639 -2.410 1.00 0.00 PRO +ATOM 578 CB THR 41 21.887 -0.408 -2.124 1.00 0.00 PRO +ATOM 579 HB THR 41 22.063 -1.397 -2.606 1.00 0.00 PRO +ATOM 580 OG1 THR 41 20.479 -0.258 -1.994 1.00 0.00 PRO +ATOM 581 HG1 THR 41 20.159 -0.051 -2.881 1.00 0.00 PRO +ATOM 582 CG2 THR 41 22.483 -0.392 -0.710 1.00 0.00 PRO +ATOM 583 HG21 THR 41 22.221 0.558 -0.195 1.00 0.00 PRO +ATOM 584 HG22 THR 41 23.586 -0.482 -0.731 1.00 0.00 PRO +ATOM 585 HG23 THR 41 22.070 -1.236 -0.118 1.00 0.00 PRO +ATOM 586 C THR 41 23.905 0.344 -3.296 1.00 0.00 PRO +ATOM 587 O THR 41 24.180 -0.604 -4.008 1.00 0.00 PRO +ATOM 588 N HSD 42 24.869 1.115 -2.762 1.00 0.00 PRO +ATOM 589 HN HSD 42 24.663 1.859 -2.130 1.00 0.00 PRO +ATOM 590 CA HSD 42 26.256 0.948 -3.130 1.00 0.00 PRO +ATOM 591 HA HSD 42 26.472 -0.094 -3.299 1.00 0.00 PRO +ATOM 592 CB HSD 42 26.631 1.765 -4.395 1.00 0.00 PRO +ATOM 593 HB1 HSD 42 25.980 1.423 -5.230 1.00 0.00 PRO +ATOM 594 HB2 HSD 42 27.680 1.581 -4.704 1.00 0.00 PRO +ATOM 595 ND1 HSD 42 27.392 4.137 -3.843 1.00 0.00 PRO +ATOM 596 HD1 HSD 42 28.315 3.910 -3.484 1.00 0.00 PRO +ATOM 597 CG HSD 42 26.419 3.230 -4.234 1.00 0.00 PRO +ATOM 598 CE1 HSD 42 26.842 5.354 -3.878 1.00 0.00 PRO +ATOM 599 HE1 HSD 42 27.356 6.278 -3.598 1.00 0.00 PRO +ATOM 600 NE2 HSD 42 25.586 5.313 -4.282 1.00 0.00 PRO +ATOM 601 CD2 HSD 42 25.329 3.988 -4.510 1.00 0.00 PRO +ATOM 602 HD2 HSD 42 24.337 3.680 -4.848 1.00 0.00 PRO +ATOM 603 C HSD 42 27.091 1.361 -1.951 1.00 0.00 PRO +ATOM 604 O HSD 42 26.580 1.884 -0.957 1.00 0.00 PRO +ATOM 605 N ALA 43 28.396 1.058 -2.003 1.00 0.00 PRO +ATOM 606 HN ALA 43 28.745 0.549 -2.794 1.00 0.00 PRO +ATOM 607 CA ALA 43 29.358 1.427 -0.993 1.00 0.00 PRO +ATOM 608 HA ALA 43 28.997 1.006 -0.065 1.00 0.00 PRO +ATOM 609 CB ALA 43 30.738 0.820 -1.306 1.00 0.00 PRO +ATOM 610 HB1 ALA 43 31.134 1.247 -2.251 1.00 0.00 PRO +ATOM 611 HB2 ALA 43 30.647 -0.280 -1.421 1.00 0.00 PRO +ATOM 612 HB3 ALA 43 31.457 1.028 -0.484 1.00 0.00 PRO +ATOM 613 C ALA 43 29.500 2.926 -0.771 1.00 0.00 PRO +ATOM 614 O ALA 43 29.305 3.748 -1.675 1.00 0.00 PRO +ATOM 615 N THR 44 29.874 3.353 0.435 1.00 0.00 PRO +ATOM 616 HN THR 44 30.039 2.708 1.194 1.00 0.00 PRO +ATOM 617 CA THR 44 29.978 4.768 0.785 1.00 0.00 PRO +ATOM 618 HA THR 44 29.081 5.262 0.445 1.00 0.00 PRO +ATOM 619 CB THR 44 30.096 4.975 2.288 1.00 0.00 PRO +ATOM 620 HB THR 44 30.374 6.024 2.543 1.00 0.00 PRO +ATOM 621 OG1 THR 44 31.047 4.071 2.846 1.00 0.00 PRO +ATOM 622 HG1 THR 44 30.994 4.151 3.798 1.00 0.00 PRO +ATOM 623 CG2 THR 44 28.731 4.664 2.919 1.00 0.00 PRO +ATOM 624 HG21 THR 44 28.401 3.632 2.676 1.00 0.00 PRO +ATOM 625 HG22 THR 44 27.968 5.368 2.524 1.00 0.00 PRO +ATOM 626 HG23 THR 44 28.766 4.764 4.023 1.00 0.00 PRO +ATOM 627 C THR 44 31.139 5.475 0.112 1.00 0.00 PRO +ATOM 628 O THR 44 31.146 6.706 -0.024 1.00 0.00 PRO +ATOM 629 N ASN 45 32.148 4.723 -0.346 1.00 0.00 PRO +ATOM 630 HN ASN 45 32.091 3.731 -0.227 1.00 0.00 PRO +ATOM 631 CA ASN 45 33.381 5.245 -0.902 1.00 0.00 PRO +ATOM 632 HA ASN 45 33.411 6.320 -0.782 1.00 0.00 PRO +ATOM 633 CB ASN 45 34.573 4.632 -0.111 1.00 0.00 PRO +ATOM 634 HB1 ASN 45 34.476 4.976 0.943 1.00 0.00 PRO +ATOM 635 HB2 ASN 45 35.534 5.011 -0.513 1.00 0.00 PRO +ATOM 636 CG ASN 45 34.596 3.097 -0.120 1.00 0.00 PRO +ATOM 637 OD1 ASN 45 33.925 2.406 -0.888 1.00 0.00 PRO +ATOM 638 ND2 ASN 45 35.387 2.542 0.824 1.00 0.00 PRO +ATOM 639 HD21 ASN 45 35.301 1.541 0.934 1.00 0.00 PRO +ATOM 640 HD22 ASN 45 35.727 3.096 1.568 1.00 0.00 PRO +ATOM 641 C ASN 45 33.519 4.977 -2.397 1.00 0.00 PRO +ATOM 642 O ASN 45 34.496 5.368 -3.039 1.00 0.00 PRO +ATOM 643 N SER 46 32.542 4.317 -3.029 1.00 0.00 PRO +ATOM 644 HN SER 46 31.686 4.075 -2.566 1.00 0.00 PRO +ATOM 645 CA SER 46 32.700 3.874 -4.400 1.00 0.00 PRO +ATOM 646 HA SER 46 33.098 4.692 -4.981 1.00 0.00 PRO +ATOM 647 CB SER 46 33.636 2.639 -4.578 1.00 0.00 PRO +ATOM 648 HB1 SER 46 34.661 2.918 -4.241 1.00 0.00 PRO +ATOM 649 HB2 SER 46 33.721 2.346 -5.647 1.00 0.00 PRO +ATOM 650 OG SER 46 33.189 1.516 -3.816 1.00 0.00 PRO +ATOM 651 HG1 SER 46 33.416 1.728 -2.889 1.00 0.00 PRO +ATOM 652 C SER 46 31.337 3.584 -4.967 1.00 0.00 PRO +ATOM 653 O SER 46 30.332 3.613 -4.279 1.00 0.00 PRO +ATOM 654 N SER 47 31.261 3.299 -6.273 1.00 0.00 PRO +ATOM 655 HN SER 47 32.055 3.252 -6.871 1.00 0.00 PRO +ATOM 656 CA SER 47 30.012 3.028 -6.961 1.00 0.00 PRO +ATOM 657 HA SER 47 29.176 3.477 -6.438 1.00 0.00 PRO +ATOM 658 CB SER 47 30.095 3.605 -8.394 1.00 0.00 PRO +ATOM 659 HB1 SER 47 30.177 4.710 -8.296 1.00 0.00 PRO +ATOM 660 HB2 SER 47 29.177 3.394 -8.985 1.00 0.00 PRO +ATOM 661 OG SER 47 31.263 3.124 -9.071 1.00 0.00 PRO +ATOM 662 HG1 SER 47 31.025 2.252 -9.421 1.00 0.00 PRO +ATOM 663 C SER 47 29.760 1.538 -7.032 1.00 0.00 PRO +ATOM 664 O SER 47 28.979 1.065 -7.850 1.00 0.00 PRO +ATOM 665 N THR 48 30.446 0.764 -6.166 1.00 0.00 PRO +ATOM 666 HN THR 48 30.992 1.210 -5.464 1.00 0.00 PRO +ATOM 667 CA THR 48 30.345 -0.688 -6.099 1.00 0.00 PRO +ATOM 668 HA THR 48 30.325 -1.084 -7.105 1.00 0.00 PRO +ATOM 669 CB THR 48 31.482 -1.350 -5.321 1.00 0.00 PRO +ATOM 670 HB THR 48 31.420 -1.094 -4.237 1.00 0.00 PRO +ATOM 671 OG1 THR 48 32.747 -0.901 -5.789 1.00 0.00 PRO +ATOM 672 HG1 THR 48 32.794 0.042 -5.596 1.00 0.00 PRO +ATOM 673 CG2 THR 48 31.451 -2.878 -5.487 1.00 0.00 PRO +ATOM 674 HG21 THR 48 31.485 -3.153 -6.563 1.00 0.00 PRO +ATOM 675 HG22 THR 48 30.538 -3.316 -5.032 1.00 0.00 PRO +ATOM 676 HG23 THR 48 32.335 -3.334 -4.990 1.00 0.00 PRO +ATOM 677 C THR 48 29.059 -1.051 -5.412 1.00 0.00 PRO +ATOM 678 O THR 48 28.842 -0.658 -4.259 1.00 0.00 PRO +ATOM 679 N ASN 49 28.160 -1.785 -6.087 1.00 0.00 PRO +ATOM 680 HN ASN 49 28.337 -2.033 -7.043 1.00 0.00 PRO +ATOM 681 CA ASN 49 26.885 -2.193 -5.526 1.00 0.00 PRO +ATOM 682 HA ASN 49 26.365 -1.290 -5.237 1.00 0.00 PRO +ATOM 683 CB ASN 49 25.989 -2.973 -6.532 1.00 0.00 PRO +ATOM 684 HB1 ASN 49 25.115 -3.398 -5.997 1.00 0.00 PRO +ATOM 685 HB2 ASN 49 26.563 -3.816 -6.971 1.00 0.00 PRO +ATOM 686 CG ASN 49 25.474 -2.092 -7.671 1.00 0.00 PRO +ATOM 687 OD1 ASN 49 26.115 -1.155 -8.151 1.00 0.00 PRO +ATOM 688 ND2 ASN 49 24.216 -2.359 -8.106 1.00 0.00 PRO +ATOM 689 HD21 ASN 49 23.709 -3.128 -7.709 1.00 0.00 PRO +ATOM 690 HD22 ASN 49 23.843 -1.830 -8.856 1.00 0.00 PRO +ATOM 691 C ASN 49 27.026 -3.037 -4.258 1.00 0.00 PRO +ATOM 692 O ASN 49 27.898 -3.886 -4.131 1.00 0.00 PRO +ATOM 693 N CYS 50 26.122 -2.813 -3.282 1.00 0.00 PRO +ATOM 694 HN CYS 50 25.460 -2.068 -3.371 1.00 0.00 PRO +ATOM 695 CA CYS 50 26.039 -3.677 -2.115 1.00 0.00 PRO +ATOM 696 HA CYS 50 26.960 -4.227 -1.967 1.00 0.00 PRO +ATOM 697 CB CYS 50 25.712 -2.874 -0.835 1.00 0.00 PRO +ATOM 698 HB1 CYS 50 25.514 -3.579 0.003 1.00 0.00 PRO +ATOM 699 HB2 CYS 50 24.792 -2.276 -0.995 1.00 0.00 PRO +ATOM 700 SG CYS 50 27.074 -1.778 -0.353 1.00 0.00 PRO +ATOM 701 C CYS 50 24.936 -4.694 -2.311 1.00 0.00 PRO +ATOM 702 O CYS 50 24.887 -5.717 -1.645 1.00 0.00 PRO +ATOM 703 N TYR 51 24.050 -4.428 -3.285 1.00 0.00 PRO +ATOM 704 HN TYR 51 24.133 -3.605 -3.836 1.00 0.00 PRO +ATOM 705 CA TYR 51 22.987 -5.314 -3.674 1.00 0.00 PRO +ATOM 706 HA TYR 51 23.265 -6.341 -3.477 1.00 0.00 PRO +ATOM 707 CB TYR 51 21.686 -4.933 -2.913 1.00 0.00 PRO +ATOM 708 HB1 TYR 51 21.407 -3.879 -3.126 1.00 0.00 PRO +ATOM 709 HB2 TYR 51 21.877 -5.012 -1.818 1.00 0.00 PRO +ATOM 710 CG TYR 51 20.527 -5.832 -3.252 1.00 0.00 PRO +ATOM 711 CD1 TYR 51 20.283 -6.988 -2.493 1.00 0.00 PRO +ATOM 712 HD1 TYR 51 20.962 -7.261 -1.700 1.00 0.00 PRO +ATOM 713 CE1 TYR 51 19.158 -7.784 -2.747 1.00 0.00 PRO +ATOM 714 HE1 TYR 51 18.975 -8.663 -2.147 1.00 0.00 PRO +ATOM 715 CZ TYR 51 18.257 -7.420 -3.754 1.00 0.00 PRO +ATOM 716 OH TYR 51 17.071 -8.156 -3.938 1.00 0.00 PRO +ATOM 717 HH TYR 51 16.539 -7.735 -4.629 1.00 0.00 PRO +ATOM 718 CD2 TYR 51 19.634 -5.496 -4.284 1.00 0.00 PRO +ATOM 719 HD2 TYR 51 19.830 -4.626 -4.891 1.00 0.00 PRO +ATOM 720 CE2 TYR 51 18.502 -6.285 -4.534 1.00 0.00 PRO +ATOM 721 HE2 TYR 51 17.814 -6.025 -5.324 1.00 0.00 PRO +ATOM 722 C TYR 51 22.855 -5.146 -5.174 1.00 0.00 PRO +ATOM 723 O TYR 51 22.741 -4.019 -5.667 1.00 0.00 PRO +ATOM 724 N ASP 52 22.889 -6.242 -5.941 1.00 0.00 PRO +ATOM 725 HN ASP 52 22.972 -7.160 -5.537 1.00 0.00 PRO +ATOM 726 CA ASP 52 22.736 -6.195 -7.378 1.00 0.00 PRO +ATOM 727 HA ASP 52 22.085 -5.364 -7.623 1.00 0.00 PRO +ATOM 728 CB ASP 52 24.102 -6.053 -8.116 1.00 0.00 PRO +ATOM 729 HB1 ASP 52 24.623 -7.032 -8.183 1.00 0.00 PRO +ATOM 730 HB2 ASP 52 24.757 -5.377 -7.528 1.00 0.00 PRO +ATOM 731 CG ASP 52 23.994 -5.455 -9.513 1.00 0.00 PRO +ATOM 732 OD1 ASP 52 22.825 -5.132 -9.951 1.00 0.00 PRO +ATOM 733 OD2 ASP 52 25.002 -5.262 -10.185 1.00 0.00 PRO +ATOM 734 C ASP 52 22.002 -7.472 -7.753 1.00 0.00 PRO +ATOM 735 O ASP 52 22.255 -8.549 -7.216 1.00 0.00 PRO +ATOM 736 N GLY 53 21.021 -7.391 -8.669 1.00 0.00 PRO +ATOM 737 HN GLY 53 20.925 -6.542 -9.186 1.00 0.00 PRO +ATOM 738 CA GLY 53 20.067 -8.481 -8.882 1.00 0.00 PRO +ATOM 739 HA1 GLY 53 20.621 -9.379 -9.110 1.00 0.00 PRO +ATOM 740 HA2 GLY 53 19.409 -8.192 -9.685 1.00 0.00 PRO +ATOM 741 C GLY 53 19.205 -8.769 -7.678 1.00 0.00 PRO +ATOM 742 O GLY 53 18.524 -7.871 -7.175 1.00 0.00 PRO +ATOM 743 N ASN 54 19.197 -10.027 -7.200 1.00 0.00 PRO +ATOM 744 HN ASN 54 19.711 -10.766 -7.641 1.00 0.00 PRO +ATOM 745 CA ASN 54 18.452 -10.459 -6.031 1.00 0.00 PRO +ATOM 746 HA ASN 54 17.937 -9.612 -5.617 1.00 0.00 PRO +ATOM 747 CB ASN 54 17.359 -11.511 -6.377 1.00 0.00 PRO +ATOM 748 HB1 ASN 54 16.571 -10.991 -6.959 1.00 0.00 PRO +ATOM 749 HB2 ASN 54 16.897 -11.899 -5.446 1.00 0.00 PRO +ATOM 750 CG ASN 54 17.833 -12.696 -7.205 1.00 0.00 PRO +ATOM 751 OD1 ASN 54 19.029 -12.871 -7.508 1.00 0.00 PRO +ATOM 752 ND2 ASN 54 16.879 -13.539 -7.636 1.00 0.00 PRO +ATOM 753 HD21 ASN 54 15.909 -13.376 -7.416 1.00 0.00 PRO +ATOM 754 HD22 ASN 54 17.155 -14.403 -8.046 1.00 0.00 PRO +ATOM 755 C ASN 54 19.378 -10.922 -4.914 1.00 0.00 PRO +ATOM 756 O ASN 54 18.976 -11.638 -3.995 1.00 0.00 PRO +ATOM 757 N THR 55 20.652 -10.497 -4.950 1.00 0.00 PRO +ATOM 758 HN THR 55 20.962 -9.872 -5.665 1.00 0.00 PRO +ATOM 759 CA THR 55 21.671 -10.954 -4.019 1.00 0.00 PRO +ATOM 760 HA THR 55 21.193 -11.394 -3.156 1.00 0.00 PRO +ATOM 761 CB THR 55 22.636 -11.989 -4.600 1.00 0.00 PRO +ATOM 762 HB THR 55 23.562 -12.104 -3.985 1.00 0.00 PRO +ATOM 763 OG1 THR 55 22.994 -11.676 -5.944 1.00 0.00 PRO +ATOM 764 HG1 THR 55 23.384 -10.792 -5.943 1.00 0.00 PRO +ATOM 765 CG2 THR 55 21.921 -13.352 -4.598 1.00 0.00 PRO +ATOM 766 HG21 THR 55 21.039 -13.335 -5.275 1.00 0.00 PRO +ATOM 767 HG22 THR 55 21.569 -13.607 -3.578 1.00 0.00 PRO +ATOM 768 HG23 THR 55 22.597 -14.158 -4.947 1.00 0.00 PRO +ATOM 769 C THR 55 22.474 -9.796 -3.484 1.00 0.00 PRO +ATOM 770 O THR 55 22.666 -8.767 -4.125 1.00 0.00 PRO +ATOM 771 N TRP 56 22.979 -9.955 -2.247 1.00 0.00 PRO +ATOM 772 HN TRP 56 22.816 -10.791 -1.740 1.00 0.00 PRO +ATOM 773 CA TRP 56 23.854 -8.990 -1.618 1.00 0.00 PRO +ATOM 774 HA TRP 56 23.617 -8.001 -1.987 1.00 0.00 PRO +ATOM 775 CB TRP 56 23.715 -8.999 -0.074 1.00 0.00 PRO +ATOM 776 HB1 TRP 56 24.473 -8.318 0.375 1.00 0.00 PRO +ATOM 777 HB2 TRP 56 23.929 -10.018 0.309 1.00 0.00 PRO +ATOM 778 CG TRP 56 22.373 -8.572 0.435 1.00 0.00 PRO +ATOM 779 CD1 TRP 56 21.276 -9.357 0.667 1.00 0.00 PRO +ATOM 780 HD1 TRP 56 21.218 -10.421 0.469 1.00 0.00 PRO +ATOM 781 NE1 TRP 56 20.262 -8.588 1.200 1.00 0.00 PRO +ATOM 782 HE1 TRP 56 19.357 -8.879 1.420 1.00 0.00 PRO +ATOM 783 CE2 TRP 56 20.696 -7.300 1.325 1.00 0.00 PRO +ATOM 784 CD2 TRP 56 22.023 -7.241 0.844 1.00 0.00 PRO +ATOM 785 CE3 TRP 56 22.706 -6.025 0.859 1.00 0.00 PRO +ATOM 786 HE3 TRP 56 23.727 -5.954 0.516 1.00 0.00 PRO +ATOM 787 CZ3 TRP 56 22.052 -4.892 1.343 1.00 0.00 PRO +ATOM 788 HZ3 TRP 56 22.567 -3.940 1.366 1.00 0.00 PRO +ATOM 789 CZ2 TRP 56 20.058 -6.185 1.838 1.00 0.00 PRO +ATOM 790 HZ2 TRP 56 19.056 -6.246 2.225 1.00 0.00 PRO +ATOM 791 CH2 TRP 56 20.757 -4.973 1.839 1.00 0.00 PRO +ATOM 792 HH2 TRP 56 20.292 -4.082 2.243 1.00 0.00 PRO +ATOM 793 C TRP 56 25.304 -9.269 -1.960 1.00 0.00 PRO +ATOM 794 O TRP 56 25.700 -10.392 -2.247 1.00 0.00 PRO +ATOM 795 N SER 57 26.142 -8.220 -1.890 1.00 0.00 PRO +ATOM 796 HN SER 57 25.766 -7.310 -1.698 1.00 0.00 PRO +ATOM 797 CA SER 57 27.587 -8.355 -1.918 1.00 0.00 PRO +ATOM 798 HA SER 57 27.847 -9.012 -2.734 1.00 0.00 PRO +ATOM 799 CB SER 57 28.286 -6.989 -2.129 1.00 0.00 PRO +ATOM 800 HB1 SER 57 27.982 -6.301 -1.308 1.00 0.00 PRO +ATOM 801 HB2 SER 57 27.929 -6.545 -3.087 1.00 0.00 PRO +ATOM 802 OG SER 57 29.711 -7.106 -2.147 1.00 0.00 PRO +ATOM 803 HG1 SER 57 29.930 -7.605 -2.947 1.00 0.00 PRO +ATOM 804 C SER 57 28.109 -8.989 -0.643 1.00 0.00 PRO +ATOM 805 O SER 57 27.829 -8.518 0.459 1.00 0.00 PRO +ATOM 806 N SER 58 28.895 -10.071 -0.731 1.00 0.00 PRO +ATOM 807 HN SER 58 29.198 -10.452 -1.603 1.00 0.00 PRO +ATOM 808 CA SER 58 29.320 -10.804 0.452 1.00 0.00 PRO +ATOM 809 HA SER 58 28.498 -10.843 1.155 1.00 0.00 PRO +ATOM 810 CB SER 58 29.689 -12.267 0.105 1.00 0.00 PRO +ATOM 811 HB1 SER 58 28.766 -12.771 -0.265 1.00 0.00 PRO +ATOM 812 HB2 SER 58 30.025 -12.807 1.018 1.00 0.00 PRO +ATOM 813 OG SER 58 30.687 -12.357 -0.917 1.00 0.00 PRO +ATOM 814 HG1 SER 58 30.930 -13.291 -0.932 1.00 0.00 PRO +ATOM 815 C SER 58 30.478 -10.146 1.179 1.00 0.00 PRO +ATOM 816 O SER 58 30.701 -10.359 2.368 1.00 0.00 PRO +ATOM 817 N THR 59 31.241 -9.283 0.483 1.00 0.00 PRO +ATOM 818 HN THR 59 31.069 -9.123 -0.487 1.00 0.00 PRO +ATOM 819 CA THR 59 32.400 -8.610 1.048 1.00 0.00 PRO +ATOM 820 HA THR 59 32.806 -9.201 1.857 1.00 0.00 PRO +ATOM 821 CB THR 59 33.497 -8.392 0.007 1.00 0.00 PRO +ATOM 822 HB THR 59 34.313 -7.751 0.413 1.00 0.00 PRO +ATOM 823 OG1 THR 59 32.952 -7.824 -1.181 1.00 0.00 PRO +ATOM 824 HG1 THR 59 33.663 -7.407 -1.684 1.00 0.00 PRO +ATOM 825 CG2 THR 59 34.106 -9.753 -0.367 1.00 0.00 PRO +ATOM 826 HG21 THR 59 33.335 -10.417 -0.815 1.00 0.00 PRO +ATOM 827 HG22 THR 59 34.514 -10.251 0.537 1.00 0.00 PRO +ATOM 828 HG23 THR 59 34.926 -9.625 -1.104 1.00 0.00 PRO +ATOM 829 C THR 59 32.049 -7.253 1.629 1.00 0.00 PRO +ATOM 830 O THR 59 32.709 -6.764 2.541 1.00 0.00 PRO +ATOM 831 N LEU 60 30.984 -6.597 1.117 1.00 0.00 PRO +ATOM 832 HN LEU 60 30.526 -6.950 0.302 1.00 0.00 PRO +ATOM 833 CA LEU 60 30.498 -5.347 1.679 1.00 0.00 PRO +ATOM 834 HA LEU 60 31.298 -4.835 2.193 1.00 0.00 PRO +ATOM 835 CB LEU 60 29.924 -4.416 0.580 1.00 0.00 PRO +ATOM 836 HB1 LEU 60 29.422 -3.533 1.039 1.00 0.00 PRO +ATOM 837 HB2 LEU 60 29.152 -4.976 0.010 1.00 0.00 PRO +ATOM 838 CG LEU 60 30.979 -3.884 -0.411 1.00 0.00 PRO +ATOM 839 HG LEU 60 31.587 -4.747 -0.772 1.00 0.00 PRO +ATOM 840 CD1 LEU 60 30.297 -3.258 -1.637 1.00 0.00 PRO +ATOM 841 HD11 LEU 60 29.683 -2.384 -1.337 1.00 0.00 PRO +ATOM 842 HD12 LEU 60 29.627 -3.998 -2.127 1.00 0.00 PRO +ATOM 843 HD13 LEU 60 31.047 -2.922 -2.381 1.00 0.00 PRO +ATOM 844 CD2 LEU 60 31.908 -2.863 0.265 1.00 0.00 PRO +ATOM 845 HD21 LEU 60 32.439 -3.311 1.129 1.00 0.00 PRO +ATOM 846 HD22 LEU 60 31.318 -1.993 0.628 1.00 0.00 PRO +ATOM 847 HD23 LEU 60 32.668 -2.496 -0.454 1.00 0.00 PRO +ATOM 848 C LEU 60 29.418 -5.584 2.712 1.00 0.00 PRO +ATOM 849 O LEU 60 29.219 -4.761 3.602 1.00 0.00 PRO +ATOM 850 N CYS 61 28.744 -6.747 2.644 1.00 0.00 PRO +ATOM 851 HN CYS 61 28.930 -7.407 1.917 1.00 0.00 PRO +ATOM 852 CA CYS 61 27.648 -7.104 3.526 1.00 0.00 PRO +ATOM 853 HA CYS 61 27.668 -6.472 4.405 1.00 0.00 PRO +ATOM 854 CB CYS 61 26.276 -6.904 2.826 1.00 0.00 PRO +ATOM 855 HB1 CYS 61 25.458 -7.241 3.497 1.00 0.00 PRO +ATOM 856 HB2 CYS 61 26.213 -7.527 1.912 1.00 0.00 PRO +ATOM 857 SG CYS 61 26.030 -5.159 2.381 1.00 0.00 PRO +ATOM 858 C CYS 61 27.802 -8.530 4.022 1.00 0.00 PRO +ATOM 859 O CYS 61 27.033 -9.423 3.607 1.00 0.00 PRO +ATOM 860 N PRO 62 28.750 -8.852 4.894 1.00 0.00 PRO +ATOM 861 CD PRO 62 29.853 -7.967 5.311 1.00 0.00 PRO +ATOM 862 HD1 PRO 62 29.474 -6.979 5.650 1.00 0.00 PRO +ATOM 863 HD2 PRO 62 30.549 -7.837 4.452 1.00 0.00 PRO +ATOM 864 CA PRO 62 28.839 -10.161 5.521 1.00 0.00 PRO +ATOM 865 HA PRO 62 28.682 -10.929 4.774 1.00 0.00 PRO +ATOM 866 CB PRO 62 30.262 -10.185 6.097 1.00 0.00 PRO +ATOM 867 HB1 PRO 62 30.959 -10.516 5.293 1.00 0.00 PRO +ATOM 868 HB2 PRO 62 30.379 -10.858 6.966 1.00 0.00 PRO +ATOM 869 CG PRO 62 30.562 -8.721 6.436 1.00 0.00 PRO +ATOM 870 HG1 PRO 62 30.113 -8.459 7.420 1.00 0.00 PRO +ATOM 871 HG2 PRO 62 31.651 -8.511 6.467 1.00 0.00 PRO +ATOM 872 C PRO 62 27.775 -10.347 6.598 1.00 0.00 PRO +ATOM 873 O PRO 62 27.364 -11.471 6.856 1.00 0.00 PRO +ATOM 874 N ASP 63 27.398 -9.262 7.299 1.00 0.00 PRO +ATOM 875 HN ASP 63 27.812 -8.381 7.108 1.00 0.00 PRO +ATOM 876 CA ASP 63 26.420 -9.254 8.360 1.00 0.00 PRO +ATOM 877 HA ASP 63 25.702 -10.046 8.176 1.00 0.00 PRO +ATOM 878 CB ASP 63 27.076 -9.441 9.762 1.00 0.00 PRO +ATOM 879 HB1 ASP 63 27.531 -10.451 9.805 1.00 0.00 PRO +ATOM 880 HB2 ASP 63 26.296 -9.407 10.552 1.00 0.00 PRO +ATOM 881 CG ASP 63 28.163 -8.420 10.074 1.00 0.00 PRO +ATOM 882 OD1 ASP 63 29.347 -8.759 10.051 1.00 0.00 PRO +ATOM 883 OD2 ASP 63 27.815 -7.202 10.306 1.00 0.00 PRO +ATOM 884 C ASP 63 25.630 -7.962 8.285 1.00 0.00 PRO +ATOM 885 O ASP 63 26.013 -7.008 7.582 1.00 0.00 PRO +ATOM 886 N ASN 64 24.486 -7.917 8.984 1.00 0.00 PRO +ATOM 887 HN ASN 64 24.221 -8.714 9.554 1.00 0.00 PRO +ATOM 888 CA ASN 64 23.545 -6.812 8.955 1.00 0.00 PRO +ATOM 889 HA ASN 64 23.231 -6.675 7.931 1.00 0.00 PRO +ATOM 890 CB ASN 64 22.320 -7.136 9.844 1.00 0.00 PRO +ATOM 891 HB1 ASN 64 21.621 -6.277 9.877 1.00 0.00 PRO +ATOM 892 HB2 ASN 64 22.654 -7.381 10.875 1.00 0.00 PRO +ATOM 893 CG ASN 64 21.526 -8.305 9.267 1.00 0.00 PRO +ATOM 894 OD1 ASN 64 21.632 -8.667 8.098 1.00 0.00 PRO +ATOM 895 ND2 ASN 64 20.684 -8.924 10.133 1.00 0.00 PRO +ATOM 896 HD21 ASN 64 20.173 -9.701 9.794 1.00 0.00 PRO +ATOM 897 HD22 ASN 64 20.765 -8.738 11.110 1.00 0.00 PRO +ATOM 898 C ASN 64 24.121 -5.477 9.407 1.00 0.00 PRO +ATOM 899 O ASN 64 23.894 -4.443 8.756 1.00 0.00 PRO +ATOM 900 N GLU 65 24.885 -5.445 10.515 1.00 0.00 PRO +ATOM 901 HN GLU 65 25.096 -6.287 11.016 1.00 0.00 PRO +ATOM 902 CA GLU 65 25.547 -4.238 10.973 1.00 0.00 PRO +ATOM 903 HA GLU 65 24.801 -3.458 11.028 1.00 0.00 PRO +ATOM 904 CB GLU 65 26.183 -4.393 12.378 1.00 0.00 PRO +ATOM 905 HB1 GLU 65 26.900 -3.557 12.511 1.00 0.00 PRO +ATOM 906 HB2 GLU 65 26.775 -5.332 12.450 1.00 0.00 PRO +ATOM 907 CG GLU 65 25.190 -4.293 13.559 1.00 0.00 PRO +ATOM 908 HG1 GLU 65 24.792 -5.300 13.801 1.00 0.00 PRO +ATOM 909 HG2 GLU 65 24.333 -3.641 13.294 1.00 0.00 PRO +ATOM 910 CD GLU 65 25.865 -3.704 14.800 1.00 0.00 PRO +ATOM 911 OE1 GLU 65 26.394 -2.518 14.612 1.00 0.00 PRO +ATOM 912 OE2 GLU 65 25.949 -4.295 15.852 1.00 0.00 PRO +ATOM 913 C GLU 65 26.620 -3.726 10.038 1.00 0.00 PRO +ATOM 914 O GLU 65 26.684 -2.523 9.735 1.00 0.00 PRO +ATOM 915 N THR 66 27.511 -4.599 9.557 1.00 0.00 PRO +ATOM 916 HN THR 66 27.460 -5.579 9.842 1.00 0.00 PRO +ATOM 917 CA THR 66 28.619 -4.236 8.678 1.00 0.00 PRO +ATOM 918 HA THR 66 29.154 -3.433 9.156 1.00 0.00 PRO +ATOM 919 CB THR 66 29.605 -5.375 8.470 1.00 0.00 PRO +ATOM 920 HB THR 66 29.079 -6.273 8.068 1.00 0.00 PRO +ATOM 921 OG1 THR 66 30.188 -5.712 9.723 1.00 0.00 PRO +ATOM 922 HG1 THR 66 29.577 -6.398 10.081 1.00 0.00 PRO +ATOM 923 CG2 THR 66 30.753 -4.980 7.524 1.00 0.00 PRO +ATOM 924 HG21 THR 66 31.237 -4.039 7.858 1.00 0.00 PRO +ATOM 925 HG22 THR 66 30.378 -4.834 6.489 1.00 0.00 PRO +ATOM 926 HG23 THR 66 31.514 -5.789 7.495 1.00 0.00 PRO +ATOM 927 C THR 66 28.144 -3.674 7.368 1.00 0.00 PRO +ATOM 928 O THR 66 28.660 -2.649 6.887 1.00 0.00 PRO +ATOM 929 N CYS 67 27.099 -4.268 6.789 1.00 0.00 PRO +ATOM 930 HN CYS 67 26.695 -5.086 7.223 1.00 0.00 PRO +ATOM 931 CA CYS 67 26.454 -3.804 5.576 1.00 0.00 PRO +ATOM 932 HA CYS 67 27.184 -3.816 4.777 1.00 0.00 PRO +ATOM 933 CB CYS 67 25.291 -4.770 5.266 1.00 0.00 PRO +ATOM 934 HB1 CYS 67 24.517 -4.677 6.058 1.00 0.00 PRO +ATOM 935 HB2 CYS 67 25.679 -5.807 5.350 1.00 0.00 PRO +ATOM 936 SG CYS 67 24.546 -4.581 3.620 1.00 0.00 PRO +ATOM 937 C CYS 67 25.899 -2.389 5.678 1.00 0.00 PRO +ATOM 938 O CYS 67 26.123 -1.547 4.807 1.00 0.00 PRO +ATOM 939 N ALA 68 25.199 -2.056 6.775 1.00 0.00 PRO +ATOM 940 HN ALA 68 25.036 -2.737 7.491 1.00 0.00 PRO +ATOM 941 CA ALA 68 24.654 -0.729 7.003 1.00 0.00 PRO +ATOM 942 HA ALA 68 24.014 -0.486 6.166 1.00 0.00 PRO +ATOM 943 CB ALA 68 23.827 -0.743 8.295 1.00 0.00 PRO +ATOM 944 HB1 ALA 68 24.455 -1.000 9.175 1.00 0.00 PRO +ATOM 945 HB2 ALA 68 23.029 -1.505 8.200 1.00 0.00 PRO +ATOM 946 HB3 ALA 68 23.346 0.244 8.473 1.00 0.00 PRO +ATOM 947 C ALA 68 25.699 0.371 7.099 1.00 0.00 PRO +ATOM 948 O ALA 68 25.522 1.479 6.574 1.00 0.00 PRO +ATOM 949 N LYS 69 26.815 0.082 7.786 1.00 0.00 PRO +ATOM 950 HN LYS 69 26.894 -0.828 8.198 1.00 0.00 PRO +ATOM 951 CA LYS 69 27.970 0.955 7.907 1.00 0.00 PRO +ATOM 952 HA LYS 69 27.612 1.913 8.256 1.00 0.00 PRO +ATOM 953 CB LYS 69 28.988 0.387 8.937 1.00 0.00 PRO +ATOM 954 HB1 LYS 69 29.876 1.057 8.972 1.00 0.00 PRO +ATOM 955 HB2 LYS 69 29.330 -0.608 8.569 1.00 0.00 PRO +ATOM 956 CG LYS 69 28.411 0.243 10.363 1.00 0.00 PRO +ATOM 957 HG1 LYS 69 27.494 -0.378 10.291 1.00 0.00 PRO +ATOM 958 HG2 LYS 69 28.095 1.239 10.739 1.00 0.00 PRO +ATOM 959 CD LYS 69 29.381 -0.423 11.359 1.00 0.00 PRO +ATOM 960 HD1 LYS 69 29.979 0.341 11.891 1.00 0.00 PRO +ATOM 961 HD2 LYS 69 30.097 -1.025 10.752 1.00 0.00 PRO +ATOM 962 CE LYS 69 28.736 -1.391 12.375 1.00 0.00 PRO +ATOM 963 HE1 LYS 69 29.511 -1.826 13.041 1.00 0.00 PRO +ATOM 964 HE2 LYS 69 28.268 -2.216 11.802 1.00 0.00 PRO +ATOM 965 NZ LYS 69 27.690 -0.764 13.218 1.00 0.00 PRO +ATOM 966 HZ1 LYS 69 26.932 -0.373 12.632 1.00 0.00 PRO +ATOM 967 HZ2 LYS 69 28.048 -0.033 13.859 1.00 0.00 PRO +ATOM 968 HZ3 LYS 69 27.230 -1.497 13.843 1.00 0.00 PRO +ATOM 969 C LYS 69 28.677 1.217 6.585 1.00 0.00 PRO +ATOM 970 O LYS 69 29.138 2.337 6.325 1.00 0.00 PRO +ATOM 971 N ASN 70 28.796 0.187 5.733 1.00 0.00 PRO +ATOM 972 HN ASN 70 28.416 -0.708 5.979 1.00 0.00 PRO +ATOM 973 CA ASN 70 29.556 0.236 4.499 1.00 0.00 PRO +ATOM 974 HA ASN 70 30.408 0.894 4.620 1.00 0.00 PRO +ATOM 975 CB ASN 70 30.024 -1.193 4.104 1.00 0.00 PRO +ATOM 976 HB1 ASN 70 30.437 -1.195 3.071 1.00 0.00 PRO +ATOM 977 HB2 ASN 70 29.157 -1.889 4.138 1.00 0.00 PRO +ATOM 978 CG ASN 70 31.122 -1.727 5.023 1.00 0.00 PRO +ATOM 979 OD1 ASN 70 31.630 -1.094 5.951 1.00 0.00 PRO +ATOM 980 ND2 ASN 70 31.527 -2.979 4.723 1.00 0.00 PRO +ATOM 981 HD21 ASN 70 30.990 -3.526 4.095 1.00 0.00 PRO +ATOM 982 HD22 ASN 70 32.319 -3.340 5.230 1.00 0.00 PRO +ATOM 983 C ASN 70 28.760 0.769 3.318 1.00 0.00 PRO +ATOM 984 O ASN 70 29.340 1.092 2.282 1.00 0.00 PRO +ATOM 985 N CYS 71 27.421 0.859 3.425 1.00 0.00 PRO +ATOM 986 HN CYS 71 26.968 0.618 4.281 1.00 0.00 PRO +ATOM 987 CA CYS 71 26.563 1.078 2.276 1.00 0.00 PRO +ATOM 988 HA CYS 71 27.166 1.344 1.417 1.00 0.00 PRO +ATOM 989 CB CYS 71 25.754 -0.196 1.904 1.00 0.00 PRO +ATOM 990 HB1 CYS 71 25.155 -0.016 0.986 1.00 0.00 PRO +ATOM 991 HB2 CYS 71 25.047 -0.429 2.729 1.00 0.00 PRO +ATOM 992 SG CYS 71 26.842 -1.636 1.651 1.00 0.00 PRO +ATOM 993 C CYS 71 25.608 2.235 2.480 1.00 0.00 PRO +ATOM 994 O CYS 71 25.304 2.699 3.591 1.00 0.00 PRO +ATOM 995 N CYS 72 25.106 2.766 1.368 1.00 0.00 PRO +ATOM 996 HN CYS 72 25.369 2.421 0.459 1.00 0.00 PRO +ATOM 997 CA CYS 72 24.267 3.932 1.365 1.00 0.00 PRO +ATOM 998 HA CYS 72 23.737 3.997 2.302 1.00 0.00 PRO +ATOM 999 CB CYS 72 25.092 5.224 1.140 1.00 0.00 PRO +ATOM 1000 HB1 CYS 72 25.738 5.366 2.030 1.00 0.00 PRO +ATOM 1001 HB2 CYS 72 24.415 6.098 1.082 1.00 0.00 PRO +ATOM 1002 SG CYS 72 26.173 5.183 -0.323 1.00 0.00 PRO +ATOM 1003 C CYS 72 23.210 3.795 0.302 1.00 0.00 PRO +ATOM 1004 O CYS 72 23.327 3.008 -0.626 1.00 0.00 PRO +ATOM 1005 N LEU 73 22.128 4.579 0.472 1.00 0.00 PRO +ATOM 1006 HN LEU 73 22.057 5.185 1.258 1.00 0.00 PRO +ATOM 1007 CA LEU 73 21.083 4.728 -0.512 1.00 0.00 PRO +ATOM 1008 HA LEU 73 21.103 3.902 -1.209 1.00 0.00 PRO +ATOM 1009 CB LEU 73 19.690 4.839 0.159 1.00 0.00 PRO +ATOM 1010 HB1 LEU 73 18.909 4.979 -0.618 1.00 0.00 PRO +ATOM 1011 HB2 LEU 73 19.681 5.738 0.817 1.00 0.00 PRO +ATOM 1012 CG LEU 73 19.298 3.619 1.020 1.00 0.00 PRO +ATOM 1013 HG LEU 73 20.125 3.400 1.735 1.00 0.00 PRO +ATOM 1014 CD1 LEU 73 18.047 3.938 1.851 1.00 0.00 PRO +ATOM 1015 HD11 LEU 73 17.187 4.169 1.185 1.00 0.00 PRO +ATOM 1016 HD12 LEU 73 18.220 4.817 2.506 1.00 0.00 PRO +ATOM 1017 HD13 LEU 73 17.770 3.067 2.483 1.00 0.00 PRO +ATOM 1018 CD2 LEU 73 19.072 2.364 0.163 1.00 0.00 PRO +ATOM 1019 HD21 LEU 73 19.994 2.087 -0.391 1.00 0.00 PRO +ATOM 1020 HD22 LEU 73 18.257 2.529 -0.573 1.00 0.00 PRO +ATOM 1021 HD23 LEU 73 18.783 1.502 0.803 1.00 0.00 PRO +ATOM 1022 C LEU 73 21.367 6.004 -1.278 1.00 0.00 PRO +ATOM 1023 O LEU 73 21.877 6.967 -0.719 1.00 0.00 PRO +ATOM 1024 N ASP 74 21.031 6.023 -2.581 1.00 0.00 PRO +ATOM 1025 HN ASP 74 20.616 5.231 -3.018 1.00 0.00 PRO +ATOM 1026 CA ASP 74 21.310 7.156 -3.434 1.00 0.00 PRO +ATOM 1027 HA ASP 74 21.605 7.999 -2.823 1.00 0.00 PRO +ATOM 1028 CB ASP 74 22.482 6.841 -4.417 1.00 0.00 PRO +ATOM 1029 HB1 ASP 74 22.118 6.312 -5.317 1.00 0.00 PRO +ATOM 1030 HB2 ASP 74 23.196 6.170 -3.896 1.00 0.00 PRO +ATOM 1031 CG ASP 74 23.247 8.098 -4.831 1.00 0.00 PRO +ATOM 1032 OD1 ASP 74 22.593 8.985 -5.456 1.00 0.00 PRO +ATOM 1033 OD2 ASP 74 24.452 8.259 -4.561 1.00 0.00 PRO +ATOM 1034 C ASP 74 20.001 7.567 -4.105 1.00 0.00 PRO +ATOM 1035 O ASP 74 18.973 6.888 -4.011 1.00 0.00 PRO +ATOM 1036 N GLY 75 20.013 8.767 -4.709 1.00 0.00 PRO +ATOM 1037 HN GLY 75 20.925 9.192 -4.807 1.00 0.00 PRO +ATOM 1038 CA GLY 75 18.899 9.433 -5.371 1.00 0.00 PRO +ATOM 1039 HA1 GLY 75 19.303 10.308 -5.852 1.00 0.00 PRO +ATOM 1040 HA2 GLY 75 18.178 9.672 -4.608 1.00 0.00 PRO +ATOM 1041 C GLY 75 18.179 8.646 -6.439 1.00 0.00 PRO +ATOM 1042 O GLY 75 18.640 7.646 -6.961 1.00 0.00 PRO +ATOM 1043 N ALA 76 16.982 9.148 -6.792 1.00 0.00 PRO +ATOM 1044 HN ALA 76 16.629 9.966 -6.338 1.00 0.00 PRO +ATOM 1045 CA ALA 76 16.089 8.496 -7.710 1.00 0.00 PRO +ATOM 1046 HA ALA 76 16.580 7.646 -8.170 1.00 0.00 PRO +ATOM 1047 CB ALA 76 14.852 8.004 -6.935 1.00 0.00 PRO +ATOM 1048 HB1 ALA 76 14.392 8.846 -6.374 1.00 0.00 PRO +ATOM 1049 HB2 ALA 76 15.155 7.233 -6.194 1.00 0.00 PRO +ATOM 1050 HB3 ALA 76 14.086 7.562 -7.603 1.00 0.00 PRO +ATOM 1051 C ALA 76 15.675 9.436 -8.831 1.00 0.00 PRO +ATOM 1052 O ALA 76 15.276 10.592 -8.625 1.00 0.00 PRO +ATOM 1053 N ALA 77 15.727 8.966 -10.089 1.00 0.00 PRO +ATOM 1054 HN ALA 77 16.069 8.053 -10.274 1.00 0.00 PRO +ATOM 1055 CA ALA 77 15.206 9.707 -11.212 1.00 0.00 PRO +ATOM 1056 HA ALA 77 15.212 10.765 -10.990 1.00 0.00 PRO +ATOM 1057 CB ALA 77 16.030 9.488 -12.495 1.00 0.00 PRO +ATOM 1058 HB1 ALA 77 16.124 8.406 -12.727 1.00 0.00 PRO +ATOM 1059 HB2 ALA 77 17.045 9.919 -12.364 1.00 0.00 PRO +ATOM 1060 HB3 ALA 77 15.553 10.006 -13.353 1.00 0.00 PRO +ATOM 1061 C ALA 77 13.771 9.278 -11.434 1.00 0.00 PRO +ATOM 1062 O ALA 77 13.475 8.354 -12.180 1.00 0.00 PRO +ATOM 1063 N TYR 78 12.834 9.973 -10.760 1.00 0.00 PRO +ATOM 1064 HN TYR 78 13.118 10.695 -10.140 1.00 0.00 PRO +ATOM 1065 CA TYR 78 11.445 9.556 -10.662 1.00 0.00 PRO +ATOM 1066 HA TYR 78 11.412 8.604 -10.153 1.00 0.00 PRO +ATOM 1067 CB TYR 78 10.640 10.601 -9.847 1.00 0.00 PRO +ATOM 1068 HB1 TYR 78 9.542 10.461 -9.963 1.00 0.00 PRO +ATOM 1069 HB2 TYR 78 10.882 11.627 -10.188 1.00 0.00 PRO +ATOM 1070 CG TYR 78 10.973 10.485 -8.388 1.00 0.00 PRO +ATOM 1071 CD1 TYR 78 12.124 11.086 -7.847 1.00 0.00 PRO +ATOM 1072 HD1 TYR 78 12.799 11.649 -8.471 1.00 0.00 PRO +ATOM 1073 CE1 TYR 78 12.430 10.944 -6.486 1.00 0.00 PRO +ATOM 1074 HE1 TYR 78 13.334 11.381 -6.085 1.00 0.00 PRO +ATOM 1075 CZ TYR 78 11.568 10.236 -5.648 1.00 0.00 PRO +ATOM 1076 OH TYR 78 11.879 10.067 -4.285 1.00 0.00 PRO +ATOM 1077 HH TYR 78 12.698 10.571 -4.068 1.00 0.00 PRO +ATOM 1078 CD2 TYR 78 10.104 9.790 -7.530 1.00 0.00 PRO +ATOM 1079 HD2 TYR 78 9.208 9.334 -7.923 1.00 0.00 PRO +ATOM 1080 CE2 TYR 78 10.394 9.677 -6.165 1.00 0.00 PRO +ATOM 1081 HE2 TYR 78 9.715 9.149 -5.514 1.00 0.00 PRO +ATOM 1082 C TYR 78 10.746 9.353 -11.985 1.00 0.00 PRO +ATOM 1083 O TYR 78 10.101 8.323 -12.210 1.00 0.00 PRO +ATOM 1084 N ALA 79 10.888 10.293 -12.925 1.00 0.00 PRO +ATOM 1085 HN ALA 79 11.459 11.092 -12.751 1.00 0.00 PRO +ATOM 1086 CA ALA 79 10.140 10.235 -14.158 1.00 0.00 PRO +ATOM 1087 HA ALA 79 9.128 9.924 -13.932 1.00 0.00 PRO +ATOM 1088 CB ALA 79 10.105 11.642 -14.782 1.00 0.00 PRO +ATOM 1089 HB1 ALA 79 11.103 11.954 -15.158 1.00 0.00 PRO +ATOM 1090 HB2 ALA 79 9.778 12.384 -14.025 1.00 0.00 PRO +ATOM 1091 HB3 ALA 79 9.369 11.663 -15.611 1.00 0.00 PRO +ATOM 1092 C ALA 79 10.691 9.243 -15.164 1.00 0.00 PRO +ATOM 1093 O ALA 79 9.947 8.488 -15.802 1.00 0.00 PRO +ATOM 1094 N SER 80 12.019 9.198 -15.342 1.00 0.00 PRO +ATOM 1095 HN SER 80 12.634 9.746 -14.775 1.00 0.00 PRO +ATOM 1096 CA SER 80 12.625 8.426 -16.415 1.00 0.00 PRO +ATOM 1097 HA SER 80 11.940 8.374 -17.253 1.00 0.00 PRO +ATOM 1098 CB SER 80 13.938 9.075 -16.919 1.00 0.00 PRO +ATOM 1099 HB1 SER 80 13.667 10.032 -17.413 1.00 0.00 PRO +ATOM 1100 HB2 SER 80 14.444 8.444 -17.683 1.00 0.00 PRO +ATOM 1101 OG SER 80 14.828 9.372 -15.842 1.00 0.00 PRO +ATOM 1102 HG1 SER 80 15.060 8.529 -15.420 1.00 0.00 PRO +ATOM 1103 C SER 80 12.948 7.003 -16.044 1.00 0.00 PRO +ATOM 1104 O SER 80 13.140 6.173 -16.925 1.00 0.00 PRO +ATOM 1105 N THR 81 13.024 6.685 -14.743 1.00 0.00 PRO +ATOM 1106 HN THR 81 12.927 7.382 -14.033 1.00 0.00 PRO +ATOM 1107 CA THR 81 13.388 5.345 -14.299 1.00 0.00 PRO +ATOM 1108 HA THR 81 13.671 4.718 -15.133 1.00 0.00 PRO +ATOM 1109 CB THR 81 14.533 5.364 -13.299 1.00 0.00 PRO +ATOM 1110 HB THR 81 14.277 5.996 -12.419 1.00 0.00 PRO +ATOM 1111 OG1 THR 81 15.685 5.912 -13.927 1.00 0.00 PRO +ATOM 1112 HG1 THR 81 15.983 5.209 -14.513 1.00 0.00 PRO +ATOM 1113 CG2 THR 81 14.904 3.957 -12.802 1.00 0.00 PRO +ATOM 1114 HG21 THR 81 15.174 3.289 -13.646 1.00 0.00 PRO +ATOM 1115 HG22 THR 81 14.069 3.485 -12.240 1.00 0.00 PRO +ATOM 1116 HG23 THR 81 15.763 4.014 -12.104 1.00 0.00 PRO +ATOM 1117 C THR 81 12.214 4.683 -13.647 1.00 0.00 PRO +ATOM 1118 O THR 81 11.955 3.506 -13.883 1.00 0.00 PRO +ATOM 1119 N TYR 82 11.462 5.425 -12.816 1.00 0.00 PRO +ATOM 1120 HN TYR 82 11.662 6.382 -12.633 1.00 0.00 PRO +ATOM 1121 CA TYR 82 10.433 4.825 -11.987 1.00 0.00 PRO +ATOM 1122 HA TYR 82 10.544 3.753 -11.987 1.00 0.00 PRO +ATOM 1123 CB TYR 82 10.573 5.318 -10.521 1.00 0.00 PRO +ATOM 1124 HB1 TYR 82 9.805 4.835 -9.877 1.00 0.00 PRO +ATOM 1125 HB2 TYR 82 10.454 6.418 -10.453 1.00 0.00 PRO +ATOM 1126 CG TYR 82 11.933 4.922 -10.001 1.00 0.00 PRO +ATOM 1127 CD1 TYR 82 12.188 3.577 -9.697 1.00 0.00 PRO +ATOM 1128 HD1 TYR 82 11.392 2.857 -9.814 1.00 0.00 PRO +ATOM 1129 CE1 TYR 82 13.455 3.164 -9.264 1.00 0.00 PRO +ATOM 1130 HE1 TYR 82 13.636 2.121 -9.052 1.00 0.00 PRO +ATOM 1131 CZ TYR 82 14.480 4.101 -9.114 1.00 0.00 PRO +ATOM 1132 OH TYR 82 15.753 3.688 -8.672 1.00 0.00 PRO +ATOM 1133 HH TYR 82 15.664 2.762 -8.395 1.00 0.00 PRO +ATOM 1134 CD2 TYR 82 12.966 5.860 -9.827 1.00 0.00 PRO +ATOM 1135 HD2 TYR 82 12.784 6.898 -10.047 1.00 0.00 PRO +ATOM 1136 CE2 TYR 82 14.238 5.447 -9.400 1.00 0.00 PRO +ATOM 1137 HE2 TYR 82 15.034 6.163 -9.282 1.00 0.00 PRO +ATOM 1138 C TYR 82 9.035 5.096 -12.500 1.00 0.00 PRO +ATOM 1139 O TYR 82 8.064 4.540 -11.978 1.00 0.00 PRO +ATOM 1140 N GLY 83 8.877 5.937 -13.539 1.00 0.00 PRO +ATOM 1141 HN GLY 83 9.680 6.383 -13.925 1.00 0.00 PRO +ATOM 1142 CA GLY 83 7.582 6.238 -14.151 1.00 0.00 PRO +ATOM 1143 HA1 GLY 83 7.091 5.305 -14.389 1.00 0.00 PRO +ATOM 1144 HA2 GLY 83 7.762 6.854 -15.017 1.00 0.00 PRO +ATOM 1145 C GLY 83 6.662 7.011 -13.253 1.00 0.00 PRO +ATOM 1146 O GLY 83 5.434 6.909 -13.343 1.00 0.00 PRO +ATOM 1147 N VAL 84 7.233 7.826 -12.362 1.00 0.00 PRO +ATOM 1148 HN VAL 84 8.233 7.881 -12.324 1.00 0.00 PRO +ATOM 1149 CA VAL 84 6.503 8.591 -11.376 1.00 0.00 PRO +ATOM 1150 HA VAL 84 5.472 8.266 -11.344 1.00 0.00 PRO +ATOM 1151 CB VAL 84 7.100 8.446 -9.978 1.00 0.00 PRO +ATOM 1152 HB VAL 84 8.186 8.686 -10.017 1.00 0.00 PRO +ATOM 1153 CG1 VAL 84 6.407 9.384 -8.965 1.00 0.00 PRO +ATOM 1154 HG11 VAL 84 5.312 9.202 -8.969 1.00 0.00 PRO +ATOM 1155 HG12 VAL 84 6.595 10.453 -9.191 1.00 0.00 PRO +ATOM 1156 HG13 VAL 84 6.785 9.181 -7.940 1.00 0.00 PRO +ATOM 1157 CG2 VAL 84 6.950 6.979 -9.534 1.00 0.00 PRO +ATOM 1158 HG21 VAL 84 7.481 6.291 -10.224 1.00 0.00 PRO +ATOM 1159 HG22 VAL 84 5.880 6.683 -9.515 1.00 0.00 PRO +ATOM 1160 HG23 VAL 84 7.372 6.832 -8.519 1.00 0.00 PRO +ATOM 1161 C VAL 84 6.524 10.039 -11.813 1.00 0.00 PRO +ATOM 1162 O VAL 84 7.556 10.626 -12.109 1.00 0.00 PRO +ATOM 1163 N THR 85 5.329 10.658 -11.872 1.00 0.00 PRO +ATOM 1164 HN THR 85 4.492 10.179 -11.600 1.00 0.00 PRO +ATOM 1165 CA THR 85 5.205 12.038 -12.301 1.00 0.00 PRO +ATOM 1166 HA THR 85 6.113 12.573 -12.058 1.00 0.00 PRO +ATOM 1167 CB THR 85 4.895 12.245 -13.787 1.00 0.00 PRO +ATOM 1168 HB THR 85 4.581 13.294 -13.980 1.00 0.00 PRO +ATOM 1169 OG1 THR 85 3.864 11.389 -14.249 1.00 0.00 PRO +ATOM 1170 HG1 THR 85 4.088 10.506 -13.924 1.00 0.00 PRO +ATOM 1171 CG2 THR 85 6.136 11.971 -14.647 1.00 0.00 PRO +ATOM 1172 HG21 THR 85 6.455 10.910 -14.556 1.00 0.00 PRO +ATOM 1173 HG22 THR 85 6.983 12.617 -14.340 1.00 0.00 PRO +ATOM 1174 HG23 THR 85 5.914 12.161 -15.719 1.00 0.00 PRO +ATOM 1175 C THR 85 4.112 12.687 -11.499 1.00 0.00 PRO +ATOM 1176 O THR 85 3.178 12.038 -11.028 1.00 0.00 PRO +ATOM 1177 N THR 86 4.206 14.011 -11.312 1.00 0.00 PRO +ATOM 1178 HN THR 86 4.963 14.541 -11.675 1.00 0.00 PRO +ATOM 1179 CA THR 86 3.207 14.782 -10.594 1.00 0.00 PRO +ATOM 1180 HA THR 86 2.298 14.204 -10.520 1.00 0.00 PRO +ATOM 1181 CB THR 86 3.595 15.245 -9.185 1.00 0.00 PRO +ATOM 1182 HB THR 86 2.788 15.878 -8.742 1.00 0.00 PRO +ATOM 1183 OG1 THR 86 4.806 15.997 -9.149 1.00 0.00 PRO +ATOM 1184 HG1 THR 86 4.851 16.290 -8.223 1.00 0.00 PRO +ATOM 1185 CG2 THR 86 3.751 14.021 -8.270 1.00 0.00 PRO +ATOM 1186 HG21 THR 86 4.527 13.324 -8.648 1.00 0.00 PRO +ATOM 1187 HG22 THR 86 2.786 13.471 -8.220 1.00 0.00 PRO +ATOM 1188 HG23 THR 86 4.023 14.329 -7.238 1.00 0.00 PRO +ATOM 1189 C THR 86 2.877 15.997 -11.421 1.00 0.00 PRO +ATOM 1190 O THR 86 3.600 16.379 -12.339 1.00 0.00 PRO +ATOM 1191 N SER 87 1.740 16.631 -11.094 1.00 0.00 PRO +ATOM 1192 HN SER 87 1.168 16.247 -10.365 1.00 0.00 PRO +ATOM 1193 CA SER 87 1.295 17.846 -11.747 1.00 0.00 PRO +ATOM 1194 HA SER 87 2.114 18.555 -11.774 1.00 0.00 PRO +ATOM 1195 CB SER 87 0.736 17.624 -13.181 1.00 0.00 PRO +ATOM 1196 HB1 SER 87 -0.132 16.929 -13.163 1.00 0.00 PRO +ATOM 1197 HB2 SER 87 1.531 17.142 -13.794 1.00 0.00 PRO +ATOM 1198 OG SER 87 0.366 18.846 -13.826 1.00 0.00 PRO +ATOM 1199 HG1 SER 87 -0.320 19.270 -13.298 1.00 0.00 PRO +ATOM 1200 C SER 87 0.196 18.418 -10.893 1.00 0.00 PRO +ATOM 1201 O SER 87 -0.948 17.946 -10.919 1.00 0.00 PRO +ATOM 1202 N GLY 88 0.495 19.449 -10.089 1.00 0.00 PRO +ATOM 1203 HN GLY 88 1.416 19.855 -10.116 1.00 0.00 PRO +ATOM 1204 CA GLY 88 -0.450 20.014 -9.132 1.00 0.00 PRO +ATOM 1205 HA1 GLY 88 -1.350 20.276 -9.671 1.00 0.00 PRO +ATOM 1206 HA2 GLY 88 0.022 20.868 -8.672 1.00 0.00 PRO +ATOM 1207 C GLY 88 -0.828 19.069 -8.014 1.00 0.00 PRO +ATOM 1208 O GLY 88 -0.001 18.653 -7.213 1.00 0.00 PRO +ATOM 1209 N ASN 89 -2.120 18.696 -7.953 1.00 0.00 PRO +ATOM 1210 HN ASN 89 -2.776 18.967 -8.652 1.00 0.00 PRO +ATOM 1211 CA ASN 89 -2.666 17.823 -6.931 1.00 0.00 PRO +ATOM 1212 HA ASN 89 -1.986 17.775 -6.089 1.00 0.00 PRO +ATOM 1213 CB ASN 89 -4.042 18.356 -6.413 1.00 0.00 PRO +ATOM 1214 HB1 ASN 89 -3.864 19.347 -5.946 1.00 0.00 PRO +ATOM 1215 HB2 ASN 89 -4.425 17.672 -5.626 1.00 0.00 PRO +ATOM 1216 CG ASN 89 -5.095 18.530 -7.511 1.00 0.00 PRO +ATOM 1217 OD1 ASN 89 -4.839 18.450 -8.706 1.00 0.00 PRO +ATOM 1218 ND2 ASN 89 -6.352 18.822 -7.090 1.00 0.00 PRO +ATOM 1219 HD21 ASN 89 -7.069 18.787 -7.783 1.00 0.00 PRO +ATOM 1220 HD22 ASN 89 -6.546 18.932 -6.121 1.00 0.00 PRO +ATOM 1221 C ASN 89 -2.817 16.400 -7.464 1.00 0.00 PRO +ATOM 1222 O ASN 89 -3.548 15.599 -6.905 1.00 0.00 PRO +ATOM 1223 N SER 90 -2.140 16.088 -8.593 1.00 0.00 PRO +ATOM 1224 HN SER 90 -1.561 16.776 -9.019 1.00 0.00 PRO +ATOM 1225 CA SER 90 -2.233 14.807 -9.275 1.00 0.00 PRO +ATOM 1226 HA SER 90 -2.931 14.166 -8.758 1.00 0.00 PRO +ATOM 1227 CB SER 90 -2.693 14.983 -10.751 1.00 0.00 PRO +ATOM 1228 HB1 SER 90 -1.940 15.567 -11.324 1.00 0.00 PRO +ATOM 1229 HB2 SER 90 -3.636 15.574 -10.736 1.00 0.00 PRO +ATOM 1230 OG SER 90 -2.959 13.745 -11.416 1.00 0.00 PRO +ATOM 1231 HG1 SER 90 -2.132 13.248 -11.475 1.00 0.00 PRO +ATOM 1232 C SER 90 -0.892 14.103 -9.273 1.00 0.00 PRO +ATOM 1233 O SER 90 0.159 14.726 -9.420 1.00 0.00 PRO +ATOM 1234 N LEU 91 -0.939 12.768 -9.118 1.00 0.00 PRO +ATOM 1235 HN LEU 91 -1.828 12.311 -8.997 1.00 0.00 PRO +ATOM 1236 CA LEU 91 0.185 11.859 -9.105 1.00 0.00 PRO +ATOM 1237 HA LEU 91 1.080 12.353 -9.462 1.00 0.00 PRO +ATOM 1238 CB LEU 91 0.397 11.294 -7.675 1.00 0.00 PRO +ATOM 1239 HB1 LEU 91 -0.597 10.949 -7.310 1.00 0.00 PRO +ATOM 1240 HB2 LEU 91 0.719 12.124 -7.010 1.00 0.00 PRO +ATOM 1241 CG LEU 91 1.380 10.109 -7.524 1.00 0.00 PRO +ATOM 1242 HG LEU 91 1.087 9.291 -8.226 1.00 0.00 PRO +ATOM 1243 CD1 LEU 91 2.828 10.503 -7.839 1.00 0.00 PRO +ATOM 1244 HD11 LEU 91 3.196 11.259 -7.114 1.00 0.00 PRO +ATOM 1245 HD12 LEU 91 2.915 10.914 -8.864 1.00 0.00 PRO +ATOM 1246 HD13 LEU 91 3.480 9.608 -7.776 1.00 0.00 PRO +ATOM 1247 CD2 LEU 91 1.291 9.512 -6.113 1.00 0.00 PRO +ATOM 1248 HD21 LEU 91 0.260 9.151 -5.912 1.00 0.00 PRO +ATOM 1249 HD22 LEU 91 1.564 10.266 -5.346 1.00 0.00 PRO +ATOM 1250 HD23 LEU 91 1.977 8.645 -6.013 1.00 0.00 PRO +ATOM 1251 C LEU 91 -0.133 10.723 -10.054 1.00 0.00 PRO +ATOM 1252 O LEU 91 -1.200 10.110 -9.964 1.00 0.00 PRO +ATOM 1253 N SER 92 0.767 10.409 -10.994 1.00 0.00 PRO +ATOM 1254 HN SER 92 1.641 10.900 -11.056 1.00 0.00 PRO +ATOM 1255 CA SER 92 0.602 9.285 -11.905 1.00 0.00 PRO +ATOM 1256 HA SER 92 -0.285 8.724 -11.652 1.00 0.00 PRO +ATOM 1257 CB SER 92 0.517 9.688 -13.405 1.00 0.00 PRO +ATOM 1258 HB1 SER 92 0.464 8.775 -14.041 1.00 0.00 PRO +ATOM 1259 HB2 SER 92 1.438 10.250 -13.685 1.00 0.00 PRO +ATOM 1260 OG SER 92 -0.634 10.501 -13.674 1.00 0.00 PRO +ATOM 1261 HG1 SER 92 -1.409 9.965 -13.443 1.00 0.00 PRO +ATOM 1262 C SER 92 1.781 8.355 -11.719 1.00 0.00 PRO +ATOM 1263 O SER 92 2.909 8.799 -11.566 1.00 0.00 PRO +ATOM 1264 N ILE 93 1.503 7.029 -11.703 1.00 0.00 PRO +ATOM 1265 HN ILE 93 0.571 6.687 -11.816 1.00 0.00 PRO +ATOM 1266 CA ILE 93 2.519 5.996 -11.582 1.00 0.00 PRO +ATOM 1267 HA ILE 93 3.507 6.430 -11.672 1.00 0.00 PRO +ATOM 1268 CB ILE 93 2.431 5.196 -10.270 1.00 0.00 PRO +ATOM 1269 HB ILE 93 1.504 4.574 -10.279 1.00 0.00 PRO +ATOM 1270 CG2 ILE 93 3.649 4.245 -10.178 1.00 0.00 PRO +ATOM 1271 HG21 ILE 93 4.599 4.819 -10.197 1.00 0.00 PRO +ATOM 1272 HG22 ILE 93 3.667 3.522 -11.021 1.00 0.00 PRO +ATOM 1273 HG23 ILE 93 3.619 3.653 -9.240 1.00 0.00 PRO +ATOM 1274 CG1 ILE 93 2.317 6.115 -9.022 1.00 0.00 PRO +ATOM 1275 HG11 ILE 93 1.475 6.828 -9.162 1.00 0.00 PRO +ATOM 1276 HG12 ILE 93 3.250 6.710 -8.923 1.00 0.00 PRO +ATOM 1277 CD ILE 93 2.041 5.345 -7.720 1.00 0.00 PRO +ATOM 1278 HD1 ILE 93 2.902 4.702 -7.441 1.00 0.00 PRO +ATOM 1279 HD2 ILE 93 1.145 4.695 -7.831 1.00 0.00 PRO +ATOM 1280 HD3 ILE 93 1.852 6.047 -6.880 1.00 0.00 PRO +ATOM 1281 C ILE 93 2.317 5.056 -12.755 1.00 0.00 PRO +ATOM 1282 O ILE 93 1.225 4.478 -12.899 1.00 0.00 PRO +ATOM 1283 N ASP 94 3.328 4.882 -13.621 1.00 0.00 PRO +ATOM 1284 HN ASP 94 4.185 5.395 -13.510 1.00 0.00 PRO +ATOM 1285 CA ASP 94 3.276 3.975 -14.755 1.00 0.00 PRO +ATOM 1286 HA ASP 94 2.243 3.830 -15.039 1.00 0.00 PRO +ATOM 1287 CB ASP 94 4.056 4.493 -15.998 1.00 0.00 PRO +ATOM 1288 HB1 ASP 94 4.117 3.682 -16.757 1.00 0.00 PRO +ATOM 1289 HB2 ASP 94 5.085 4.780 -15.703 1.00 0.00 PRO +ATOM 1290 CG ASP 94 3.402 5.663 -16.725 1.00 0.00 PRO +ATOM 1291 OD1 ASP 94 2.317 6.164 -16.298 1.00 0.00 PRO +ATOM 1292 OD2 ASP 94 3.947 6.023 -17.795 1.00 0.00 PRO +ATOM 1293 C ASP 94 3.815 2.604 -14.346 1.00 0.00 PRO +ATOM 1294 O ASP 94 4.792 2.480 -13.621 1.00 0.00 PRO +ATOM 1295 N PHE 95 3.131 1.523 -14.787 1.00 0.00 PRO +ATOM 1296 HN PHE 95 2.343 1.637 -15.396 1.00 0.00 PRO +ATOM 1297 CA PHE 95 3.410 0.164 -14.366 1.00 0.00 PRO +ATOM 1298 HA PHE 95 3.372 0.150 -13.284 1.00 0.00 PRO +ATOM 1299 CB PHE 95 2.291 -0.752 -14.932 1.00 0.00 PRO +ATOM 1300 HB1 PHE 95 2.306 -0.688 -16.043 1.00 0.00 PRO +ATOM 1301 HB2 PHE 95 1.303 -0.388 -14.584 1.00 0.00 PRO +ATOM 1302 CG PHE 95 2.396 -2.199 -14.523 1.00 0.00 PRO +ATOM 1303 CD1 PHE 95 2.591 -2.563 -13.179 1.00 0.00 PRO +ATOM 1304 HD1 PHE 95 2.704 -1.806 -12.418 1.00 0.00 PRO +ATOM 1305 CE1 PHE 95 2.648 -3.912 -12.810 1.00 0.00 PRO +ATOM 1306 HE1 PHE 95 2.819 -4.198 -11.780 1.00 0.00 PRO +ATOM 1307 CZ PHE 95 2.491 -4.907 -13.781 1.00 0.00 PRO +ATOM 1308 HZ PHE 95 2.540 -5.948 -13.497 1.00 0.00 PRO +ATOM 1309 CD2 PHE 95 2.243 -3.209 -15.485 1.00 0.00 PRO +ATOM 1310 HD2 PHE 95 2.093 -2.943 -16.518 1.00 0.00 PRO +ATOM 1311 CE2 PHE 95 2.281 -4.557 -15.117 1.00 0.00 PRO +ATOM 1312 HE2 PHE 95 2.142 -5.330 -15.856 1.00 0.00 PRO +ATOM 1313 C PHE 95 4.795 -0.381 -14.716 1.00 0.00 PRO +ATOM 1314 O PHE 95 5.485 -0.929 -13.885 1.00 0.00 PRO +ATOM 1315 N VAL 96 5.227 -0.195 -15.985 1.00 0.00 PRO +ATOM 1316 HN VAL 96 4.673 0.289 -16.652 1.00 0.00 PRO +ATOM 1317 CA VAL 96 6.517 -0.679 -16.429 1.00 0.00 PRO +ATOM 1318 HA VAL 96 7.103 -1.002 -15.577 1.00 0.00 PRO +ATOM 1319 CB VAL 96 6.449 -1.868 -17.394 1.00 0.00 PRO +ATOM 1320 HB VAL 96 5.839 -1.579 -18.277 1.00 0.00 PRO +ATOM 1321 CG1 VAL 96 7.856 -2.304 -17.860 1.00 0.00 PRO +ATOM 1322 HG11 VAL 96 8.500 -2.509 -16.977 1.00 0.00 PRO +ATOM 1323 HG12 VAL 96 8.337 -1.527 -18.488 1.00 0.00 PRO +ATOM 1324 HG13 VAL 96 7.779 -3.238 -18.455 1.00 0.00 PRO +ATOM 1325 CG2 VAL 96 5.772 -3.057 -16.684 1.00 0.00 PRO +ATOM 1326 HG21 VAL 96 4.732 -2.804 -16.394 1.00 0.00 PRO +ATOM 1327 HG22 VAL 96 6.323 -3.326 -15.756 1.00 0.00 PRO +ATOM 1328 HG23 VAL 96 5.735 -3.949 -17.343 1.00 0.00 PRO +ATOM 1329 C VAL 96 7.259 0.490 -17.015 1.00 0.00 PRO +ATOM 1330 O VAL 96 6.732 1.321 -17.788 1.00 0.00 PRO +ATOM 1331 N THR 97 8.518 0.657 -16.639 1.00 0.00 PRO +ATOM 1332 HN THR 97 8.923 0.003 -15.986 1.00 0.00 PRO +ATOM 1333 CA THR 97 9.369 1.695 -17.179 1.00 0.00 PRO +ATOM 1334 HA THR 97 8.923 2.107 -18.068 1.00 0.00 PRO +ATOM 1335 CB THR 97 9.663 2.823 -16.199 1.00 0.00 PRO +ATOM 1336 HB THR 97 10.215 2.424 -15.319 1.00 0.00 PRO +ATOM 1337 OG1 THR 97 8.458 3.418 -15.728 1.00 0.00 PRO +ATOM 1338 HG1 THR 97 7.727 3.071 -16.238 1.00 0.00 PRO +ATOM 1339 CG2 THR 97 10.446 3.978 -16.833 1.00 0.00 PRO +ATOM 1340 HG21 THR 97 9.894 4.414 -17.689 1.00 0.00 PRO +ATOM 1341 HG22 THR 97 11.457 3.662 -17.161 1.00 0.00 PRO +ATOM 1342 HG23 THR 97 10.576 4.782 -16.075 1.00 0.00 PRO +ATOM 1343 C THR 97 10.636 1.001 -17.605 1.00 0.00 PRO +ATOM 1344 O THR 97 11.136 0.124 -16.938 1.00 0.00 PRO +ATOM 1345 N GLN 98 11.157 1.382 -18.795 1.00 0.00 PRO +ATOM 1346 HN GLN 98 10.756 2.106 -19.332 1.00 0.00 PRO +ATOM 1347 CA GLN 98 12.409 0.871 -19.300 1.00 0.00 PRO +ATOM 1348 HA GLN 98 12.841 0.153 -18.613 1.00 0.00 PRO +ATOM 1349 CB GLN 98 12.261 0.217 -20.699 1.00 0.00 PRO +ATOM 1350 HB1 GLN 98 13.268 0.049 -21.148 1.00 0.00 PRO +ATOM 1351 HB2 GLN 98 11.729 0.943 -21.356 1.00 0.00 PRO +ATOM 1352 CG GLN 98 11.482 -1.124 -20.707 1.00 0.00 PRO +ATOM 1353 HG1 GLN 98 11.185 -1.345 -21.754 1.00 0.00 PRO +ATOM 1354 HG2 GLN 98 10.569 -1.040 -20.083 1.00 0.00 PRO +ATOM 1355 CD GLN 98 12.306 -2.308 -20.198 1.00 0.00 PRO +ATOM 1356 OE1 GLN 98 13.470 -2.190 -19.779 1.00 0.00 PRO +ATOM 1357 NE2 GLN 98 11.728 -3.520 -20.261 1.00 0.00 PRO +ATOM 1358 HE21 GLN 98 12.235 -4.284 -19.857 1.00 0.00 PRO +ATOM 1359 HE22 GLN 98 10.766 -3.617 -20.515 1.00 0.00 PRO +ATOM 1360 C GLN 98 13.363 2.034 -19.385 1.00 0.00 PRO +ATOM 1361 O GLN 98 13.008 3.132 -19.834 1.00 0.00 PRO +ATOM 1362 N SER 99 14.593 1.829 -18.923 1.00 0.00 PRO +ATOM 1363 HN SER 99 14.840 0.923 -18.570 1.00 0.00 PRO +ATOM 1364 CA SER 99 15.630 2.838 -18.918 1.00 0.00 PRO +ATOM 1365 HA SER 99 15.525 3.453 -19.801 1.00 0.00 PRO +ATOM 1366 CB SER 99 15.583 3.748 -17.659 1.00 0.00 PRO +ATOM 1367 HB1 SER 99 14.634 4.329 -17.693 1.00 0.00 PRO +ATOM 1368 HB2 SER 99 16.419 4.480 -17.676 1.00 0.00 PRO +ATOM 1369 OG SER 99 15.632 3.006 -16.438 1.00 0.00 PRO +ATOM 1370 HG1 SER 99 14.857 2.420 -16.418 1.00 0.00 PRO +ATOM 1371 C SER 99 16.931 2.090 -19.084 1.00 0.00 PRO +ATOM 1372 O SER 99 17.080 1.337 -20.027 1.00 0.00 PRO +ATOM 1373 N ALA 100 17.894 2.212 -18.143 1.00 0.00 PRO +ATOM 1374 HN ALA 100 17.738 2.789 -17.348 1.00 0.00 PRO +ATOM 1375 CA ALA 100 19.054 1.337 -18.119 1.00 0.00 PRO +ATOM 1376 HA ALA 100 19.447 1.220 -19.122 1.00 0.00 PRO +ATOM 1377 CB ALA 100 20.130 1.917 -17.181 1.00 0.00 PRO +ATOM 1378 HB1 ALA 100 19.747 1.990 -16.139 1.00 0.00 PRO +ATOM 1379 HB2 ALA 100 20.437 2.927 -17.522 1.00 0.00 PRO +ATOM 1380 HB3 ALA 100 21.031 1.265 -17.170 1.00 0.00 PRO +ATOM 1381 C ALA 100 18.685 -0.056 -17.616 1.00 0.00 PRO +ATOM 1382 O ALA 100 19.392 -1.029 -17.825 1.00 0.00 PRO +ATOM 1383 N GLN 101 17.519 -0.138 -16.949 1.00 0.00 PRO +ATOM 1384 HN GLN 101 16.982 0.680 -16.769 1.00 0.00 PRO +ATOM 1385 CA GLN 101 16.926 -1.368 -16.517 1.00 0.00 PRO +ATOM 1386 HA GLN 101 17.137 -2.124 -17.265 1.00 0.00 PRO +ATOM 1387 CB GLN 101 17.495 -1.875 -15.158 1.00 0.00 PRO +ATOM 1388 HB1 GLN 101 18.469 -2.360 -15.402 1.00 0.00 PRO +ATOM 1389 HB2 GLN 101 16.831 -2.663 -14.741 1.00 0.00 PRO +ATOM 1390 CG GLN 101 17.788 -0.811 -14.063 1.00 0.00 PRO +ATOM 1391 HG1 GLN 101 18.681 -0.222 -14.371 1.00 0.00 PRO +ATOM 1392 HG2 GLN 101 18.029 -1.304 -13.098 1.00 0.00 PRO +ATOM 1393 CD GLN 101 16.680 0.212 -13.813 1.00 0.00 PRO +ATOM 1394 OE1 GLN 101 16.898 1.413 -13.896 1.00 0.00 PRO +ATOM 1395 NE2 GLN 101 15.463 -0.267 -13.436 1.00 0.00 PRO +ATOM 1396 HE21 GLN 101 14.731 0.377 -13.307 1.00 0.00 PRO +ATOM 1397 HE22 GLN 101 15.289 -1.255 -13.380 1.00 0.00 PRO +ATOM 1398 C GLN 101 15.423 -1.260 -16.524 1.00 0.00 PRO +ATOM 1399 O GLN 101 14.856 -0.145 -16.561 1.00 0.00 PRO +ATOM 1400 N LYS 102 14.733 -2.397 -16.536 1.00 0.00 PRO +ATOM 1401 HN LYS 102 15.224 -3.270 -16.656 1.00 0.00 PRO +ATOM 1402 CA LYS 102 13.321 -2.518 -16.272 1.00 0.00 PRO +ATOM 1403 HA LYS 102 12.816 -1.776 -16.872 1.00 0.00 PRO +ATOM 1404 CB LYS 102 12.790 -3.912 -16.684 1.00 0.00 PRO +ATOM 1405 HB1 LYS 102 13.348 -4.689 -16.113 1.00 0.00 PRO +ATOM 1406 HB2 LYS 102 13.030 -4.052 -17.760 1.00 0.00 PRO +ATOM 1407 CG LYS 102 11.284 -4.144 -16.469 1.00 0.00 PRO +ATOM 1408 HG1 LYS 102 10.699 -3.346 -16.976 1.00 0.00 PRO +ATOM 1409 HG2 LYS 102 11.052 -4.098 -15.379 1.00 0.00 PRO +ATOM 1410 CD LYS 102 10.848 -5.520 -16.995 1.00 0.00 PRO +ATOM 1411 HD1 LYS 102 11.579 -6.271 -16.607 1.00 0.00 PRO +ATOM 1412 HD2 LYS 102 10.913 -5.513 -18.102 1.00 0.00 PRO +ATOM 1413 CE LYS 102 9.437 -5.933 -16.565 1.00 0.00 PRO +ATOM 1414 HE1 LYS 102 8.654 -5.318 -17.053 1.00 0.00 PRO +ATOM 1415 HE2 LYS 102 9.330 -5.832 -15.464 1.00 0.00 PRO +ATOM 1416 NZ LYS 102 9.222 -7.347 -16.904 1.00 0.00 PRO +ATOM 1417 HZ1 LYS 102 9.981 -7.906 -16.457 1.00 0.00 PRO +ATOM 1418 HZ2 LYS 102 9.145 -7.528 -17.913 1.00 0.00 PRO +ATOM 1419 HZ3 LYS 102 8.351 -7.696 -16.390 1.00 0.00 PRO +ATOM 1420 C LYS 102 12.998 -2.214 -14.814 1.00 0.00 PRO +ATOM 1421 O LYS 102 13.676 -2.635 -13.896 1.00 0.00 PRO +ATOM 1422 N ASN 103 11.925 -1.430 -14.621 1.00 0.00 PRO +ATOM 1423 HN ASN 103 11.435 -1.057 -15.405 1.00 0.00 PRO +ATOM 1424 CA ASN 103 11.357 -1.119 -13.340 1.00 0.00 PRO +ATOM 1425 HA ASN 103 11.844 -1.684 -12.553 1.00 0.00 PRO +ATOM 1426 CB ASN 103 11.463 0.409 -13.075 1.00 0.00 PRO +ATOM 1427 HB1 ASN 103 11.094 0.961 -13.960 1.00 0.00 PRO +ATOM 1428 HB2 ASN 103 12.529 0.675 -12.923 1.00 0.00 PRO +ATOM 1429 CG ASN 103 10.695 0.834 -11.830 1.00 0.00 PRO +ATOM 1430 OD1 ASN 103 11.182 0.572 -10.719 1.00 0.00 PRO +ATOM 1431 ND2 ASN 103 9.516 1.467 -11.987 1.00 0.00 PRO +ATOM 1432 HD21 ASN 103 8.947 1.641 -11.180 1.00 0.00 PRO +ATOM 1433 HD22 ASN 103 9.161 1.675 -12.901 1.00 0.00 PRO +ATOM 1434 C ASN 103 9.918 -1.572 -13.397 1.00 0.00 PRO +ATOM 1435 O ASN 103 9.288 -1.472 -14.464 1.00 0.00 PRO +ATOM 1436 N VAL 104 9.377 -2.056 -12.274 1.00 0.00 PRO +ATOM 1437 HN VAL 104 9.899 -2.158 -11.427 1.00 0.00 PRO +ATOM 1438 CA VAL 104 7.978 -2.388 -12.139 1.00 0.00 PRO +ATOM 1439 HA VAL 104 7.437 -2.082 -13.021 1.00 0.00 PRO +ATOM 1440 CB VAL 104 7.747 -3.877 -11.942 1.00 0.00 PRO +ATOM 1441 HB VAL 104 8.251 -4.236 -11.013 1.00 0.00 PRO +ATOM 1442 CG1 VAL 104 6.236 -4.177 -11.843 1.00 0.00 PRO +ATOM 1443 HG11 VAL 104 5.694 -3.792 -12.732 1.00 0.00 PRO +ATOM 1444 HG12 VAL 104 5.787 -3.738 -10.929 1.00 0.00 PRO +ATOM 1445 HG13 VAL 104 6.065 -5.278 -11.796 1.00 0.00 PRO +ATOM 1446 CG2 VAL 104 8.354 -4.623 -13.145 1.00 0.00 PRO +ATOM 1447 HG21 VAL 104 9.452 -4.486 -13.209 1.00 0.00 PRO +ATOM 1448 HG22 VAL 104 7.879 -4.285 -14.089 1.00 0.00 PRO +ATOM 1449 HG23 VAL 104 8.161 -5.706 -13.024 1.00 0.00 PRO +ATOM 1450 C VAL 104 7.445 -1.589 -10.965 1.00 0.00 PRO +ATOM 1451 O VAL 104 7.944 -1.672 -9.850 1.00 0.00 PRO +ATOM 1452 N GLY 105 6.418 -0.752 -11.236 1.00 0.00 PRO +ATOM 1453 HN GLY 105 6.077 -0.721 -12.179 1.00 0.00 PRO +ATOM 1454 CA GLY 105 5.734 0.093 -10.263 1.00 0.00 PRO +ATOM 1455 HA1 GLY 105 5.198 -0.579 -9.611 1.00 0.00 PRO +ATOM 1456 HA2 GLY 105 5.081 0.746 -10.820 1.00 0.00 PRO +ATOM 1457 C GLY 105 6.585 0.983 -9.380 1.00 0.00 PRO +ATOM 1458 O GLY 105 7.733 1.297 -9.642 1.00 0.00 PRO +ATOM 1459 N ALA 106 5.963 1.441 -8.275 1.00 0.00 PRO +ATOM 1460 HN ALA 106 5.036 1.155 -8.053 1.00 0.00 PRO +ATOM 1461 CA ALA 106 6.631 2.251 -7.292 1.00 0.00 PRO +ATOM 1462 HA ALA 106 7.611 1.835 -7.095 1.00 0.00 PRO +ATOM 1463 CB ALA 106 6.751 3.732 -7.726 1.00 0.00 PRO +ATOM 1464 HB1 ALA 106 5.745 4.169 -7.906 1.00 0.00 PRO +ATOM 1465 HB2 ALA 106 7.331 3.799 -8.672 1.00 0.00 PRO +ATOM 1466 HB3 ALA 106 7.271 4.337 -6.954 1.00 0.00 PRO +ATOM 1467 C ALA 106 5.843 2.175 -6.010 1.00 0.00 PRO +ATOM 1468 O ALA 106 4.645 1.846 -6.017 1.00 0.00 PRO +ATOM 1469 N ARG 107 6.479 2.495 -4.882 1.00 0.00 PRO +ATOM 1470 HN ARG 107 7.455 2.705 -4.885 1.00 0.00 PRO +ATOM 1471 CA ARG 107 5.815 2.700 -3.617 1.00 0.00 PRO +ATOM 1472 HA ARG 107 4.749 2.793 -3.767 1.00 0.00 PRO +ATOM 1473 CB ARG 107 6.098 1.558 -2.617 1.00 0.00 PRO +ATOM 1474 HB1 ARG 107 7.194 1.453 -2.465 1.00 0.00 PRO +ATOM 1475 HB2 ARG 107 5.736 0.615 -3.088 1.00 0.00 PRO +ATOM 1476 CG ARG 107 5.397 1.727 -1.254 1.00 0.00 PRO +ATOM 1477 HG1 ARG 107 4.335 2.006 -1.436 1.00 0.00 PRO +ATOM 1478 HG2 ARG 107 5.864 2.558 -0.680 1.00 0.00 PRO +ATOM 1479 CD ARG 107 5.382 0.455 -0.388 1.00 0.00 PRO +ATOM 1480 HD1 ARG 107 4.831 -0.351 -0.936 1.00 0.00 PRO +ATOM 1481 HD2 ARG 107 4.848 0.660 0.568 1.00 0.00 PRO +ATOM 1482 NE ARG 107 6.777 0.073 -0.075 1.00 0.00 PRO +ATOM 1483 HE ARG 107 7.320 0.718 0.486 1.00 0.00 PRO +ATOM 1484 CZ ARG 107 7.285 -1.169 -0.075 1.00 0.00 PRO +ATOM 1485 NH1 ARG 107 6.580 -2.197 -0.603 1.00 0.00 PRO +ATOM 1486 HH11 ARG 107 5.753 -2.022 -1.074 1.00 0.00 PRO +ATOM 1487 HH12 ARG 107 7.058 -3.075 -0.639 1.00 0.00 PRO +ATOM 1488 NH2 ARG 107 8.443 -1.430 0.364 1.00 0.00 PRO +ATOM 1489 HH21 ARG 107 9.101 -0.673 0.573 1.00 0.00 PRO +ATOM 1490 HH22 ARG 107 8.803 -2.364 0.249 1.00 0.00 PRO +ATOM 1491 C ARG 107 6.326 4.031 -3.109 1.00 0.00 PRO +ATOM 1492 O ARG 107 7.514 4.271 -3.023 1.00 0.00 PRO +ATOM 1493 N LEU 108 5.373 4.956 -2.860 1.00 0.00 PRO +ATOM 1494 HN LEU 108 4.403 4.737 -2.930 1.00 0.00 PRO +ATOM 1495 CA LEU 108 5.662 6.347 -2.616 1.00 0.00 PRO +ATOM 1496 HA LEU 108 6.726 6.499 -2.534 1.00 0.00 PRO +ATOM 1497 CB LEU 108 5.066 7.235 -3.740 1.00 0.00 PRO +ATOM 1498 HB1 LEU 108 5.227 8.308 -3.506 1.00 0.00 PRO +ATOM 1499 HB2 LEU 108 3.966 7.053 -3.766 1.00 0.00 PRO +ATOM 1500 CG LEU 108 5.617 6.952 -5.153 1.00 0.00 PRO +ATOM 1501 HG LEU 108 5.612 5.849 -5.326 1.00 0.00 PRO +ATOM 1502 CD1 LEU 108 4.709 7.575 -6.217 1.00 0.00 PRO +ATOM 1503 HD11 LEU 108 4.687 8.679 -6.107 1.00 0.00 PRO +ATOM 1504 HD12 LEU 108 3.676 7.182 -6.106 1.00 0.00 PRO +ATOM 1505 HD13 LEU 108 5.070 7.317 -7.234 1.00 0.00 PRO +ATOM 1506 CD2 LEU 108 7.053 7.465 -5.314 1.00 0.00 PRO +ATOM 1507 HD21 LEU 108 7.709 6.977 -4.568 1.00 0.00 PRO +ATOM 1508 HD22 LEU 108 7.098 8.563 -5.158 1.00 0.00 PRO +ATOM 1509 HD23 LEU 108 7.441 7.228 -6.326 1.00 0.00 PRO +ATOM 1510 C LEU 108 5.032 6.766 -1.312 1.00 0.00 PRO +ATOM 1511 O LEU 108 3.933 6.326 -0.974 1.00 0.00 PRO +ATOM 1512 N TYR 109 5.699 7.654 -0.563 1.00 0.00 PRO +ATOM 1513 HN TYR 109 6.612 7.957 -0.847 1.00 0.00 PRO +ATOM 1514 CA TYR 109 5.204 8.162 0.702 1.00 0.00 PRO +ATOM 1515 HA TYR 109 4.252 7.710 0.944 1.00 0.00 PRO +ATOM 1516 CB TYR 109 6.210 7.941 1.863 1.00 0.00 PRO +ATOM 1517 HB1 TYR 109 5.766 8.225 2.841 1.00 0.00 PRO +ATOM 1518 HB2 TYR 109 7.125 8.544 1.692 1.00 0.00 PRO +ATOM 1519 CG TYR 109 6.603 6.494 1.924 1.00 0.00 PRO +ATOM 1520 CD1 TYR 109 5.618 5.520 2.136 1.00 0.00 PRO +ATOM 1521 HD1 TYR 109 4.598 5.836 2.291 1.00 0.00 PRO +ATOM 1522 CE1 TYR 109 5.941 4.156 2.082 1.00 0.00 PRO +ATOM 1523 HE1 TYR 109 5.167 3.414 2.216 1.00 0.00 PRO +ATOM 1524 CZ TYR 109 7.261 3.761 1.828 1.00 0.00 PRO +ATOM 1525 OH TYR 109 7.589 2.401 1.664 1.00 0.00 PRO +ATOM 1526 HH TYR 109 8.568 2.305 1.666 1.00 0.00 PRO +ATOM 1527 CD2 TYR 109 7.934 6.086 1.734 1.00 0.00 PRO +ATOM 1528 HD2 TYR 109 8.707 6.822 1.585 1.00 0.00 PRO +ATOM 1529 CE2 TYR 109 8.261 4.724 1.688 1.00 0.00 PRO +ATOM 1530 HE2 TYR 109 9.280 4.417 1.516 1.00 0.00 PRO +ATOM 1531 C TYR 109 4.991 9.647 0.561 1.00 0.00 PRO +ATOM 1532 O TYR 109 5.790 10.342 -0.061 1.00 0.00 PRO +ATOM 1533 N LEU 110 3.891 10.185 1.129 1.00 0.00 PRO +ATOM 1534 HN LEU 110 3.242 9.594 1.614 1.00 0.00 PRO +ATOM 1535 CA LEU 110 3.718 11.625 1.200 1.00 0.00 PRO +ATOM 1536 HA LEU 110 4.032 12.035 0.251 1.00 0.00 PRO +ATOM 1537 CB LEU 110 2.243 12.046 1.432 1.00 0.00 PRO +ATOM 1538 HB1 LEU 110 1.952 11.737 2.461 1.00 0.00 PRO +ATOM 1539 HB2 LEU 110 1.607 11.477 0.720 1.00 0.00 PRO +ATOM 1540 CG LEU 110 1.948 13.558 1.254 1.00 0.00 PRO +ATOM 1541 HG LEU 110 2.682 14.148 1.852 1.00 0.00 PRO +ATOM 1542 CD1 LEU 110 2.057 14.001 -0.214 1.00 0.00 PRO +ATOM 1543 HD11 LEU 110 1.315 13.452 -0.829 1.00 0.00 PRO +ATOM 1544 HD12 LEU 110 3.068 13.794 -0.621 1.00 0.00 PRO +ATOM 1545 HD13 LEU 110 1.860 15.089 -0.309 1.00 0.00 PRO +ATOM 1546 CD2 LEU 110 0.559 13.914 1.799 1.00 0.00 PRO +ATOM 1547 HD21 LEU 110 0.495 13.641 2.872 1.00 0.00 PRO +ATOM 1548 HD22 LEU 110 -0.232 13.372 1.243 1.00 0.00 PRO +ATOM 1549 HD23 LEU 110 0.372 15.003 1.703 1.00 0.00 PRO +ATOM 1550 C LEU 110 4.610 12.244 2.274 1.00 0.00 PRO +ATOM 1551 O LEU 110 4.744 11.755 3.391 1.00 0.00 PRO +ATOM 1552 N MET 111 5.238 13.381 1.940 1.00 0.00 PRO +ATOM 1553 HN MET 111 5.156 13.748 1.012 1.00 0.00 PRO +ATOM 1554 CA MET 111 6.149 14.068 2.813 1.00 0.00 PRO +ATOM 1555 HA MET 111 6.325 13.479 3.700 1.00 0.00 PRO +ATOM 1556 CB MET 111 7.512 14.317 2.145 1.00 0.00 PRO +ATOM 1557 HB1 MET 111 8.170 14.801 2.894 1.00 0.00 PRO +ATOM 1558 HB2 MET 111 7.398 15.013 1.282 1.00 0.00 PRO +ATOM 1559 CG MET 111 8.233 13.057 1.647 1.00 0.00 PRO +ATOM 1560 HG1 MET 111 7.731 12.700 0.719 1.00 0.00 PRO +ATOM 1561 HG2 MET 111 8.139 12.243 2.399 1.00 0.00 PRO +ATOM 1562 SD MET 111 9.988 13.391 1.311 1.00 0.00 PRO +ATOM 1563 CE MET 111 10.596 12.987 2.972 1.00 0.00 PRO +ATOM 1564 HE1 MET 111 10.346 11.939 3.240 1.00 0.00 PRO +ATOM 1565 HE2 MET 111 10.154 13.659 3.735 1.00 0.00 PRO +ATOM 1566 HE3 MET 111 11.701 13.092 3.015 1.00 0.00 PRO +ATOM 1567 C MET 111 5.606 15.397 3.270 1.00 0.00 PRO +ATOM 1568 O MET 111 4.794 16.053 2.585 1.00 0.00 PRO +ATOM 1569 N ALA 112 6.038 15.851 4.451 1.00 0.00 PRO +ATOM 1570 HN ALA 112 6.691 15.292 4.981 1.00 0.00 PRO +ATOM 1571 CA ALA 112 5.690 17.148 4.985 1.00 0.00 PRO +ATOM 1572 HA ALA 112 4.814 17.533 4.484 1.00 0.00 PRO +ATOM 1573 CB ALA 112 5.418 17.028 6.492 1.00 0.00 PRO +ATOM 1574 HB1 ALA 112 6.284 16.587 7.027 1.00 0.00 PRO +ATOM 1575 HB2 ALA 112 4.540 16.375 6.666 1.00 0.00 PRO +ATOM 1576 HB3 ALA 112 5.191 18.022 6.928 1.00 0.00 PRO +ATOM 1577 C ALA 112 6.827 18.135 4.805 1.00 0.00 PRO +ATOM 1578 O ALA 112 6.645 19.354 4.930 1.00 0.00 PRO +ATOM 1579 N SER 113 8.026 17.634 4.499 1.00 0.00 PRO +ATOM 1580 HN SER 113 8.165 16.643 4.395 1.00 0.00 PRO +ATOM 1581 CA SER 113 9.207 18.418 4.221 1.00 0.00 PRO +ATOM 1582 HA SER 113 8.946 19.184 3.506 1.00 0.00 PRO +ATOM 1583 CB SER 113 9.894 19.024 5.485 1.00 0.00 PRO +ATOM 1584 HB1 SER 113 9.135 19.584 6.074 1.00 0.00 PRO +ATOM 1585 HB2 SER 113 10.661 19.759 5.150 1.00 0.00 PRO +ATOM 1586 OG SER 113 10.538 18.050 6.320 1.00 0.00 PRO +ATOM 1587 HG1 SER 113 9.856 17.574 6.829 1.00 0.00 PRO +ATOM 1588 C SER 113 10.147 17.447 3.552 1.00 0.00 PRO +ATOM 1589 O SER 113 9.873 16.262 3.518 1.00 0.00 PRO +ATOM 1590 N ASP 114 11.304 17.905 3.041 1.00 0.00 PRO +ATOM 1591 HN ASP 114 11.508 18.879 3.044 1.00 0.00 PRO +ATOM 1592 CA ASP 114 12.248 17.035 2.366 1.00 0.00 PRO +ATOM 1593 HA ASP 114 11.722 16.481 1.598 1.00 0.00 PRO +ATOM 1594 CB ASP 114 13.398 17.871 1.750 1.00 0.00 PRO +ATOM 1595 HB1 ASP 114 14.222 17.207 1.412 1.00 0.00 PRO +ATOM 1596 HB2 ASP 114 13.788 18.583 2.500 1.00 0.00 PRO +ATOM 1597 CG ASP 114 12.995 18.653 0.518 1.00 0.00 PRO +ATOM 1598 OD1 ASP 114 11.971 18.336 -0.126 1.00 0.00 PRO +ATOM 1599 OD2 ASP 114 13.859 19.493 0.136 1.00 0.00 PRO +ATOM 1600 C ASP 114 12.909 16.005 3.281 1.00 0.00 PRO +ATOM 1601 O ASP 114 13.560 15.075 2.809 1.00 0.00 PRO +ATOM 1602 N THR 115 12.811 16.168 4.618 1.00 0.00 PRO +ATOM 1603 HN THR 115 12.347 16.979 4.983 1.00 0.00 PRO +ATOM 1604 CA THR 115 13.401 15.232 5.563 1.00 0.00 PRO +ATOM 1605 HA THR 115 13.856 14.413 5.023 1.00 0.00 PRO +ATOM 1606 CB THR 115 14.504 15.848 6.437 1.00 0.00 PRO +ATOM 1607 HB THR 115 14.871 15.138 7.211 1.00 0.00 PRO +ATOM 1608 OG1 THR 115 14.123 17.060 7.082 1.00 0.00 PRO +ATOM 1609 HG1 THR 115 13.243 16.932 7.453 1.00 0.00 PRO +ATOM 1610 CG2 THR 115 15.691 16.190 5.524 1.00 0.00 PRO +ATOM 1611 HG21 THR 115 15.383 16.930 4.756 1.00 0.00 PRO +ATOM 1612 HG22 THR 115 16.047 15.274 5.011 1.00 0.00 PRO +ATOM 1613 HG23 THR 115 16.515 16.630 6.122 1.00 0.00 PRO +ATOM 1614 C THR 115 12.404 14.545 6.475 1.00 0.00 PRO +ATOM 1615 O THR 115 12.813 13.808 7.355 1.00 0.00 PRO +ATOM 1616 N THR 116 11.074 14.747 6.278 1.00 0.00 PRO +ATOM 1617 HN THR 116 10.740 15.311 5.526 1.00 0.00 PRO +ATOM 1618 CA THR 116 10.068 14.162 7.171 1.00 0.00 PRO +ATOM 1619 HA THR 116 10.460 13.242 7.585 1.00 0.00 PRO +ATOM 1620 CB THR 116 9.600 15.056 8.336 1.00 0.00 PRO +ATOM 1621 HB THR 116 8.853 14.501 8.959 1.00 0.00 PRO +ATOM 1622 OG1 THR 116 9.007 16.277 7.890 1.00 0.00 PRO +ATOM 1623 HG1 THR 116 8.176 16.001 7.483 1.00 0.00 PRO +ATOM 1624 CG2 THR 116 10.773 15.421 9.258 1.00 0.00 PRO +ATOM 1625 HG21 THR 116 11.506 16.060 8.724 1.00 0.00 PRO +ATOM 1626 HG22 THR 116 11.284 14.498 9.606 1.00 0.00 PRO +ATOM 1627 HG23 THR 116 10.399 15.979 10.142 1.00 0.00 PRO +ATOM 1628 C THR 116 8.807 13.779 6.431 1.00 0.00 PRO +ATOM 1629 O THR 116 8.318 14.518 5.559 1.00 0.00 PRO +ATOM 1630 N TYR 117 8.193 12.651 6.797 1.00 0.00 PRO +ATOM 1631 HN TYR 117 8.585 12.056 7.514 1.00 0.00 PRO +ATOM 1632 CA TYR 117 6.887 12.240 6.323 1.00 0.00 PRO +ATOM 1633 HA TYR 117 6.907 12.329 5.247 1.00 0.00 PRO +ATOM 1634 CB TYR 117 6.540 10.775 6.668 1.00 0.00 PRO +ATOM 1635 HB1 TYR 117 5.547 10.485 6.262 1.00 0.00 PRO +ATOM 1636 HB2 TYR 117 6.516 10.636 7.772 1.00 0.00 PRO +ATOM 1637 CG TYR 117 7.538 9.829 6.064 1.00 0.00 PRO +ATOM 1638 CD1 TYR 117 7.782 9.805 4.678 1.00 0.00 PRO +ATOM 1639 HD1 TYR 117 7.261 10.487 4.022 1.00 0.00 PRO +ATOM 1640 CE1 TYR 117 8.681 8.873 4.137 1.00 0.00 PRO +ATOM 1641 HE1 TYR 117 8.868 8.845 3.078 1.00 0.00 PRO +ATOM 1642 CZ TYR 117 9.321 7.948 4.967 1.00 0.00 PRO +ATOM 1643 OH TYR 117 10.200 6.995 4.420 1.00 0.00 PRO +ATOM 1644 HH TYR 117 10.423 6.351 5.109 1.00 0.00 PRO +ATOM 1645 CD2 TYR 117 8.189 8.896 6.883 1.00 0.00 PRO +ATOM 1646 HD2 TYR 117 7.979 8.884 7.941 1.00 0.00 PRO +ATOM 1647 CE2 TYR 117 9.083 7.965 6.342 1.00 0.00 PRO +ATOM 1648 HE2 TYR 117 9.558 7.243 6.987 1.00 0.00 PRO +ATOM 1649 C TYR 117 5.747 13.125 6.790 1.00 0.00 PRO +ATOM 1650 O TYR 117 5.848 13.870 7.774 1.00 0.00 PRO +ATOM 1651 N GLN 118 4.622 13.089 6.063 1.00 0.00 PRO +ATOM 1652 HN GLN 118 4.563 12.500 5.250 1.00 0.00 PRO +ATOM 1653 CA GLN 118 3.397 13.722 6.489 1.00 0.00 PRO +ATOM 1654 HA GLN 118 3.623 14.529 7.169 1.00 0.00 PRO +ATOM 1655 CB GLN 118 2.609 14.270 5.273 1.00 0.00 PRO +ATOM 1656 HB1 GLN 118 2.372 13.424 4.588 1.00 0.00 PRO +ATOM 1657 HB2 GLN 118 3.288 14.954 4.719 1.00 0.00 PRO +ATOM 1658 CG GLN 118 1.312 15.046 5.609 1.00 0.00 PRO +ATOM 1659 HG1 GLN 118 0.575 14.381 6.103 1.00 0.00 PRO +ATOM 1660 HG2 GLN 118 0.861 15.423 4.667 1.00 0.00 PRO +ATOM 1661 CD GLN 118 1.600 16.253 6.497 1.00 0.00 PRO +ATOM 1662 OE1 GLN 118 2.109 17.277 6.025 1.00 0.00 PRO +ATOM 1663 NE2 GLN 118 1.288 16.151 7.803 1.00 0.00 PRO +ATOM 1664 HE21 GLN 118 0.825 15.334 8.144 1.00 0.00 PRO +ATOM 1665 HE22 GLN 118 1.631 16.903 8.377 1.00 0.00 PRO +ATOM 1666 C GLN 118 2.538 12.715 7.237 1.00 0.00 PRO +ATOM 1667 O GLN 118 2.091 11.719 6.689 1.00 0.00 PRO +ATOM 1668 N GLU 119 2.287 13.002 8.531 1.00 0.00 PRO +ATOM 1669 HN GLU 119 2.691 13.795 8.958 1.00 0.00 PRO +ATOM 1670 CA GLU 119 1.474 12.168 9.388 1.00 0.00 PRO +ATOM 1671 HA GLU 119 1.534 11.132 9.067 1.00 0.00 PRO +ATOM 1672 CB GLU 119 1.910 12.289 10.872 1.00 0.00 PRO +ATOM 1673 HB1 GLU 119 1.256 11.643 11.506 1.00 0.00 PRO +ATOM 1674 HB2 GLU 119 1.780 13.338 11.199 1.00 0.00 PRO +ATOM 1675 CG GLU 119 3.376 11.876 11.124 1.00 0.00 PRO +ATOM 1676 HG1 GLU 119 3.681 12.127 12.159 1.00 0.00 PRO +ATOM 1677 HG2 GLU 119 4.073 12.368 10.415 1.00 0.00 PRO +ATOM 1678 CD GLU 119 3.591 10.373 10.988 1.00 0.00 PRO +ATOM 1679 OE1 GLU 119 2.569 9.635 10.928 1.00 0.00 PRO +ATOM 1680 OE2 GLU 119 4.775 9.983 11.002 1.00 0.00 PRO +ATOM 1681 C GLU 119 0.035 12.616 9.319 1.00 0.00 PRO +ATOM 1682 O GLU 119 -0.252 13.820 9.204 1.00 0.00 PRO +ATOM 1683 N PHE 120 -0.900 11.669 9.417 1.00 0.00 PRO +ATOM 1684 HN PHE 120 -0.623 10.700 9.406 1.00 0.00 PRO +ATOM 1685 CA PHE 120 -2.321 11.923 9.429 1.00 0.00 PRO +ATOM 1686 HA PHE 120 -2.508 12.977 9.566 1.00 0.00 PRO +ATOM 1687 CB PHE 120 -3.017 11.420 8.140 1.00 0.00 PRO +ATOM 1688 HB1 PHE 120 -4.124 11.477 8.228 1.00 0.00 PRO +ATOM 1689 HB2 PHE 120 -2.743 10.356 7.958 1.00 0.00 PRO +ATOM 1690 CG PHE 120 -2.596 12.223 6.939 1.00 0.00 PRO +ATOM 1691 CD1 PHE 120 -1.404 11.934 6.252 1.00 0.00 PRO +ATOM 1692 HD1 PHE 120 -0.743 11.164 6.630 1.00 0.00 PRO +ATOM 1693 CE1 PHE 120 -1.093 12.588 5.056 1.00 0.00 PRO +ATOM 1694 HE1 PHE 120 -0.181 12.330 4.536 1.00 0.00 PRO +ATOM 1695 CZ PHE 120 -1.957 13.568 4.548 1.00 0.00 PRO +ATOM 1696 HZ PHE 120 -1.720 14.079 3.627 1.00 0.00 PRO +ATOM 1697 CD2 PHE 120 -3.456 13.199 6.413 1.00 0.00 PRO +ATOM 1698 HD2 PHE 120 -4.387 13.399 6.916 1.00 0.00 PRO +ATOM 1699 CE2 PHE 120 -3.140 13.875 5.229 1.00 0.00 PRO +ATOM 1700 HE2 PHE 120 -3.816 14.616 4.829 1.00 0.00 PRO +ATOM 1701 C PHE 120 -2.945 11.195 10.601 1.00 0.00 PRO +ATOM 1702 O PHE 120 -2.755 10.017 10.799 1.00 0.00 PRO +ATOM 1703 N THR 121 -3.739 11.924 11.415 1.00 0.00 PRO +ATOM 1704 HN THR 121 -3.841 12.900 11.302 1.00 0.00 PRO +ATOM 1705 CA THR 121 -4.523 11.300 12.472 1.00 0.00 PRO +ATOM 1706 HA THR 121 -4.130 10.322 12.717 1.00 0.00 PRO +ATOM 1707 CB THR 121 -4.551 12.135 13.737 1.00 0.00 PRO +ATOM 1708 HB THR 121 -4.952 13.153 13.523 1.00 0.00 PRO +ATOM 1709 OG1 THR 121 -3.224 12.265 14.226 1.00 0.00 PRO +ATOM 1710 HG1 THR 121 -2.955 11.350 14.421 1.00 0.00 PRO +ATOM 1711 CG2 THR 121 -5.390 11.479 14.844 1.00 0.00 PRO +ATOM 1712 HG21 THR 121 -5.003 10.464 15.076 1.00 0.00 PRO +ATOM 1713 HG22 THR 121 -6.457 11.393 14.550 1.00 0.00 PRO +ATOM 1714 HG23 THR 121 -5.343 12.090 15.771 1.00 0.00 PRO +ATOM 1715 C THR 121 -5.908 11.102 11.935 1.00 0.00 PRO +ATOM 1716 O THR 121 -6.669 12.068 11.749 1.00 0.00 PRO +ATOM 1717 N LEU 122 -6.274 9.862 11.603 1.00 0.00 PRO +ATOM 1718 HN LEU 122 -5.654 9.092 11.774 1.00 0.00 PRO +ATOM 1719 CA LEU 122 -7.487 9.568 10.865 1.00 0.00 PRO +ATOM 1720 HA LEU 122 -7.617 10.322 10.102 1.00 0.00 PRO +ATOM 1721 CB LEU 122 -7.385 8.184 10.178 1.00 0.00 PRO +ATOM 1722 HB1 LEU 122 -8.349 7.929 9.682 1.00 0.00 PRO +ATOM 1723 HB2 LEU 122 -7.190 7.409 10.949 1.00 0.00 PRO +ATOM 1724 CG LEU 122 -6.280 8.071 9.102 1.00 0.00 PRO +ATOM 1725 HG LEU 122 -5.299 8.363 9.549 1.00 0.00 PRO +ATOM 1726 CD1 LEU 122 -6.148 6.615 8.629 1.00 0.00 PRO +ATOM 1727 HD11 LEU 122 -7.094 6.265 8.165 1.00 0.00 PRO +ATOM 1728 HD12 LEU 122 -5.903 5.944 9.478 1.00 0.00 PRO +ATOM 1729 HD13 LEU 122 -5.334 6.525 7.878 1.00 0.00 PRO +ATOM 1730 CD2 LEU 122 -6.552 8.988 7.899 1.00 0.00 PRO +ATOM 1731 HD21 LEU 122 -6.553 10.054 8.199 1.00 0.00 PRO +ATOM 1732 HD22 LEU 122 -7.531 8.737 7.438 1.00 0.00 PRO +ATOM 1733 HD23 LEU 122 -5.760 8.844 7.132 1.00 0.00 PRO +ATOM 1734 C LEU 122 -8.738 9.615 11.718 1.00 0.00 PRO +ATOM 1735 O LEU 122 -9.829 9.908 11.215 1.00 0.00 PRO +ATOM 1736 N LEU 123 -8.645 9.364 13.034 1.00 0.00 PRO +ATOM 1737 HN LEU 123 -7.745 9.194 13.450 1.00 0.00 PRO +ATOM 1738 CA LEU 123 -9.813 9.254 13.888 1.00 0.00 PRO +ATOM 1739 HA LEU 123 -10.480 8.554 13.395 1.00 0.00 PRO +ATOM 1740 CB LEU 123 -9.458 8.672 15.279 1.00 0.00 PRO +ATOM 1741 HB1 LEU 123 -8.804 9.401 15.802 1.00 0.00 PRO +ATOM 1742 HB2 LEU 123 -8.865 7.745 15.133 1.00 0.00 PRO +ATOM 1743 CG LEU 123 -10.671 8.337 16.178 1.00 0.00 PRO +ATOM 1744 HG LEU 123 -11.343 9.226 16.229 1.00 0.00 PRO +ATOM 1745 CD1 LEU 123 -11.471 7.152 15.619 1.00 0.00 PRO +ATOM 1746 HD11 LEU 123 -10.820 6.257 15.512 1.00 0.00 PRO +ATOM 1747 HD12 LEU 123 -11.895 7.388 14.620 1.00 0.00 PRO +ATOM 1748 HD13 LEU 123 -12.314 6.891 16.291 1.00 0.00 PRO +ATOM 1749 CD2 LEU 123 -10.225 8.035 17.615 1.00 0.00 PRO +ATOM 1750 HD21 LEU 123 -9.629 8.880 18.022 1.00 0.00 PRO +ATOM 1751 HD22 LEU 123 -9.594 7.122 17.636 1.00 0.00 PRO +ATOM 1752 HD23 LEU 123 -11.108 7.871 18.266 1.00 0.00 PRO +ATOM 1753 C LEU 123 -10.595 10.548 14.050 1.00 0.00 PRO +ATOM 1754 O LEU 123 -10.057 11.573 14.523 1.00 0.00 PRO +ATOM 1755 N GLY 124 -11.881 10.564 13.675 1.00 0.00 PRO +ATOM 1756 HN GLY 124 -12.297 9.743 13.254 1.00 0.00 PRO +ATOM 1757 CA GLY 124 -12.742 11.742 13.730 1.00 0.00 PRO +ATOM 1758 HA1 GLY 124 -12.454 12.359 14.571 1.00 0.00 PRO +ATOM 1759 HA2 GLY 124 -13.761 11.397 13.783 1.00 0.00 PRO +ATOM 1760 C GLY 124 -12.629 12.583 12.492 1.00 0.00 PRO +ATOM 1761 O GLY 124 -13.092 13.731 12.454 1.00 0.00 PRO +ATOM 1762 N ASN 125 -12.029 12.037 11.434 1.00 0.00 PRO +ATOM 1763 HN ASN 125 -11.725 11.081 11.466 1.00 0.00 PRO +ATOM 1764 CA ASN 125 -11.717 12.737 10.211 1.00 0.00 PRO +ATOM 1765 HA ASN 125 -12.352 13.606 10.122 1.00 0.00 PRO +ATOM 1766 CB ASN 125 -10.221 13.151 10.125 1.00 0.00 PRO +ATOM 1767 HB1 ASN 125 -10.014 13.663 9.163 1.00 0.00 PRO +ATOM 1768 HB2 ASN 125 -9.570 12.256 10.189 1.00 0.00 PRO +ATOM 1769 CG ASN 125 -9.863 14.150 11.221 1.00 0.00 PRO +ATOM 1770 OD1 ASN 125 -10.172 15.332 11.132 1.00 0.00 PRO +ATOM 1771 ND2 ASN 125 -9.086 13.696 12.242 1.00 0.00 PRO +ATOM 1772 HD21 ASN 125 -8.728 12.760 12.220 1.00 0.00 PRO +ATOM 1773 HD22 ASN 125 -8.929 14.284 13.015 1.00 0.00 PRO +ATOM 1774 C ASN 125 -12.077 11.830 9.044 1.00 0.00 PRO +ATOM 1775 O ASN 125 -12.383 10.664 9.187 1.00 0.00 PRO +ATOM 1776 N GLU 126 -12.079 12.419 7.831 1.00 0.00 PRO +ATOM 1777 HN GLU 126 -11.849 13.384 7.721 1.00 0.00 PRO +ATOM 1778 CA GLU 126 -12.363 11.693 6.620 1.00 0.00 PRO +ATOM 1779 HA GLU 126 -12.281 10.627 6.797 1.00 0.00 PRO +ATOM 1780 CB GLU 126 -13.779 12.035 6.070 1.00 0.00 PRO +ATOM 1781 HB1 GLU 126 -14.498 11.912 6.908 1.00 0.00 PRO +ATOM 1782 HB2 GLU 126 -14.050 11.292 5.288 1.00 0.00 PRO +ATOM 1783 CG GLU 126 -13.913 13.457 5.460 1.00 0.00 PRO +ATOM 1784 HG1 GLU 126 -13.316 13.518 4.527 1.00 0.00 PRO +ATOM 1785 HG2 GLU 126 -13.518 14.204 6.180 1.00 0.00 PRO +ATOM 1786 CD GLU 126 -15.344 13.876 5.126 1.00 0.00 PRO +ATOM 1787 OE1 GLU 126 -16.317 13.183 5.442 1.00 0.00 PRO +ATOM 1788 OE2 GLU 126 -15.461 15.019 4.546 1.00 0.00 PRO +ATOM 1789 C GLU 126 -11.303 12.043 5.607 1.00 0.00 PRO +ATOM 1790 O GLU 126 -10.606 13.076 5.706 1.00 0.00 PRO +ATOM 1791 N PHE 127 -11.125 11.172 4.618 1.00 0.00 PRO +ATOM 1792 HN PHE 127 -11.729 10.365 4.567 1.00 0.00 PRO +ATOM 1793 CA PHE 127 -10.126 11.284 3.586 1.00 0.00 PRO +ATOM 1794 HA PHE 127 -9.708 12.281 3.584 1.00 0.00 PRO +ATOM 1795 CB PHE 127 -9.009 10.231 3.815 1.00 0.00 PRO +ATOM 1796 HB1 PHE 127 -9.414 9.200 3.725 1.00 0.00 PRO +ATOM 1797 HB2 PHE 127 -8.607 10.345 4.845 1.00 0.00 PRO +ATOM 1798 CG PHE 127 -7.870 10.401 2.844 1.00 0.00 PRO +ATOM 1799 CD1 PHE 127 -6.796 11.252 3.154 1.00 0.00 PRO +ATOM 1800 HD1 PHE 127 -6.797 11.795 4.085 1.00 0.00 PRO +ATOM 1801 CE1 PHE 127 -5.705 11.370 2.283 1.00 0.00 PRO +ATOM 1802 HE1 PHE 127 -4.871 12.008 2.541 1.00 0.00 PRO +ATOM 1803 CZ PHE 127 -5.686 10.643 1.086 1.00 0.00 PRO +ATOM 1804 HZ PHE 127 -4.842 10.720 0.415 1.00 0.00 PRO +ATOM 1805 CD2 PHE 127 -7.836 9.672 1.644 1.00 0.00 PRO +ATOM 1806 HD2 PHE 127 -8.646 9.000 1.401 1.00 0.00 PRO +ATOM 1807 CE2 PHE 127 -6.759 9.806 0.761 1.00 0.00 PRO +ATOM 1808 HE2 PHE 127 -6.741 9.241 -0.160 1.00 0.00 PRO +ATOM 1809 C PHE 127 -10.849 11.071 2.264 1.00 0.00 PRO +ATOM 1810 O PHE 127 -11.582 10.120 2.084 1.00 0.00 PRO +ATOM 1811 N SER 128 -10.651 12.026 1.329 1.00 0.00 PRO +ATOM 1812 HN SER 128 -10.021 12.780 1.512 1.00 0.00 PRO +ATOM 1813 CA SER 128 -11.261 12.025 0.015 1.00 0.00 PRO +ATOM 1814 HA SER 128 -11.805 11.108 -0.149 1.00 0.00 PRO +ATOM 1815 CB SER 128 -12.215 13.244 -0.170 1.00 0.00 PRO +ATOM 1816 HB1 SER 128 -11.669 14.168 0.112 1.00 0.00 PRO +ATOM 1817 HB2 SER 128 -13.057 13.124 0.549 1.00 0.00 PRO +ATOM 1818 OG SER 128 -12.755 13.391 -1.492 1.00 0.00 PRO +ATOM 1819 HG1 SER 128 -12.011 13.443 -2.106 1.00 0.00 PRO +ATOM 1820 C SER 128 -10.161 12.097 -1.011 1.00 0.00 PRO +ATOM 1821 O SER 128 -9.167 12.810 -0.820 1.00 0.00 PRO +ATOM 1822 N PHE 129 -10.306 11.383 -2.130 1.00 0.00 PRO +ATOM 1823 HN PHE 129 -11.077 10.749 -2.257 1.00 0.00 PRO +ATOM 1824 CA PHE 129 -9.374 11.467 -3.232 1.00 0.00 PRO +ATOM 1825 HA PHE 129 -9.092 12.500 -3.365 1.00 0.00 PRO +ATOM 1826 CB PHE 129 -8.080 10.610 -3.023 1.00 0.00 PRO +ATOM 1827 HB1 PHE 129 -7.591 10.913 -2.072 1.00 0.00 PRO +ATOM 1828 HB2 PHE 129 -7.365 10.807 -3.851 1.00 0.00 PRO +ATOM 1829 CG PHE 129 -8.345 9.123 -2.952 1.00 0.00 PRO +ATOM 1830 CD1 PHE 129 -8.955 8.557 -1.820 1.00 0.00 PRO +ATOM 1831 HD1 PHE 129 -9.228 9.186 -0.988 1.00 0.00 PRO +ATOM 1832 CE1 PHE 129 -9.259 7.194 -1.777 1.00 0.00 PRO +ATOM 1833 HE1 PHE 129 -9.780 6.781 -0.927 1.00 0.00 PRO +ATOM 1834 CZ PHE 129 -8.929 6.373 -2.860 1.00 0.00 PRO +ATOM 1835 HZ PHE 129 -9.205 5.330 -2.854 1.00 0.00 PRO +ATOM 1836 CD2 PHE 129 -7.980 8.277 -4.016 1.00 0.00 PRO +ATOM 1837 HD2 PHE 129 -7.495 8.692 -4.887 1.00 0.00 PRO +ATOM 1838 CE2 PHE 129 -8.269 6.907 -3.970 1.00 0.00 PRO +ATOM 1839 HE2 PHE 129 -8.003 6.255 -4.790 1.00 0.00 PRO +ATOM 1840 C PHE 129 -10.135 11.059 -4.484 1.00 0.00 PRO +ATOM 1841 O PHE 129 -11.118 10.340 -4.426 1.00 0.00 PRO +ATOM 1842 N ASP 130 -9.671 11.559 -5.651 1.00 0.00 PRO +ATOM 1843 HN ASP 130 -8.869 12.151 -5.670 1.00 0.00 PRO +ATOM 1844 CA ASP 130 -10.128 11.106 -6.941 1.00 0.00 PRO +ATOM 1845 HA ASP 130 -11.089 10.624 -6.845 1.00 0.00 PRO +ATOM 1846 CB ASP 130 -10.200 12.240 -8.015 1.00 0.00 PRO +ATOM 1847 HB1 ASP 130 -10.502 11.779 -8.975 1.00 0.00 PRO +ATOM 1848 HB2 ASP 130 -9.193 12.694 -8.119 1.00 0.00 PRO +ATOM 1849 CG ASP 130 -11.189 13.373 -7.778 1.00 0.00 PRO +ATOM 1850 OD1 ASP 130 -12.003 13.368 -6.852 1.00 0.00 PRO +ATOM 1851 OD2 ASP 130 -11.151 14.304 -8.667 1.00 0.00 PRO +ATOM 1852 C ASP 130 -9.128 10.063 -7.440 1.00 0.00 PRO +ATOM 1853 O ASP 130 -7.922 10.142 -7.167 1.00 0.00 PRO +ATOM 1854 N VAL 131 -9.586 9.066 -8.206 1.00 0.00 PRO +ATOM 1855 HN VAL 131 -10.570 8.969 -8.394 1.00 0.00 PRO +ATOM 1856 CA VAL 131 -8.718 8.024 -8.719 1.00 0.00 PRO +ATOM 1857 HA VAL 131 -7.734 8.440 -8.881 1.00 0.00 PRO +ATOM 1858 CB VAL 131 -8.574 6.864 -7.733 1.00 0.00 PRO +ATOM 1859 HB VAL 131 -8.260 7.312 -6.762 1.00 0.00 PRO +ATOM 1860 CG1 VAL 131 -9.915 6.138 -7.496 1.00 0.00 PRO +ATOM 1861 HG11 VAL 131 -10.261 5.613 -8.410 1.00 0.00 PRO +ATOM 1862 HG12 VAL 131 -10.705 6.849 -7.175 1.00 0.00 PRO +ATOM 1863 HG13 VAL 131 -9.797 5.380 -6.691 1.00 0.00 PRO +ATOM 1864 CG2 VAL 131 -7.457 5.890 -8.164 1.00 0.00 PRO +ATOM 1865 HG21 VAL 131 -6.495 6.427 -8.299 1.00 0.00 PRO +ATOM 1866 HG22 VAL 131 -7.708 5.373 -9.110 1.00 0.00 PRO +ATOM 1867 HG23 VAL 131 -7.311 5.115 -7.381 1.00 0.00 PRO +ATOM 1868 C VAL 131 -9.218 7.578 -10.080 1.00 0.00 PRO +ATOM 1869 O VAL 131 -10.414 7.566 -10.360 1.00 0.00 PRO +ATOM 1870 N ASP 132 -8.276 7.256 -10.989 1.00 0.00 PRO +ATOM 1871 HN ASP 132 -7.310 7.316 -10.731 1.00 0.00 PRO +ATOM 1872 CA ASP 132 -8.541 6.697 -12.298 1.00 0.00 PRO +ATOM 1873 HA ASP 132 -9.604 6.547 -12.436 1.00 0.00 PRO +ATOM 1874 CB ASP 132 -7.980 7.623 -13.421 1.00 0.00 PRO +ATOM 1875 HB1 ASP 132 -6.892 7.748 -13.251 1.00 0.00 PRO +ATOM 1876 HB2 ASP 132 -8.455 8.620 -13.347 1.00 0.00 PRO +ATOM 1877 CG ASP 132 -8.162 7.100 -14.846 1.00 0.00 PRO +ATOM 1878 OD1 ASP 132 -9.012 6.228 -15.111 1.00 0.00 PRO +ATOM 1879 OD2 ASP 132 -7.443 7.649 -15.741 1.00 0.00 PRO +ATOM 1880 C ASP 132 -7.860 5.338 -12.302 1.00 0.00 PRO +ATOM 1881 O ASP 132 -6.644 5.233 -12.126 1.00 0.00 PRO +ATOM 1882 N VAL 133 -8.656 4.268 -12.461 1.00 0.00 PRO +ATOM 1883 HN VAL 133 -9.635 4.394 -12.583 1.00 0.00 PRO +ATOM 1884 CA VAL 133 -8.194 2.890 -12.400 1.00 0.00 PRO +ATOM 1885 HA VAL 133 -7.132 2.857 -12.200 1.00 0.00 PRO +ATOM 1886 CB VAL 133 -8.921 2.100 -11.312 1.00 0.00 PRO +ATOM 1887 HB VAL 133 -8.589 1.034 -11.337 1.00 0.00 PRO +ATOM 1888 CG1 VAL 133 -8.539 2.655 -9.924 1.00 0.00 PRO +ATOM 1889 HG11 VAL 133 -8.933 3.683 -9.788 1.00 0.00 PRO +ATOM 1890 HG12 VAL 133 -7.436 2.670 -9.796 1.00 0.00 PRO +ATOM 1891 HG13 VAL 133 -8.974 2.011 -9.128 1.00 0.00 PRO +ATOM 1892 CG2 VAL 133 -10.448 2.145 -11.526 1.00 0.00 PRO +ATOM 1893 HG21 VAL 133 -10.724 1.752 -12.524 1.00 0.00 PRO +ATOM 1894 HG22 VAL 133 -10.849 3.173 -11.413 1.00 0.00 PRO +ATOM 1895 HG23 VAL 133 -10.943 1.508 -10.766 1.00 0.00 PRO +ATOM 1896 C VAL 133 -8.407 2.227 -13.746 1.00 0.00 PRO +ATOM 1897 O VAL 133 -8.275 1.009 -13.902 1.00 0.00 PRO +ATOM 1898 N SER 134 -8.732 3.015 -14.789 1.00 0.00 PRO +ATOM 1899 HN SER 134 -8.792 4.009 -14.657 1.00 0.00 PRO +ATOM 1900 CA SER 134 -9.159 2.506 -16.089 1.00 0.00 PRO +ATOM 1901 HA SER 134 -9.975 1.820 -15.904 1.00 0.00 PRO +ATOM 1902 CB SER 134 -9.683 3.628 -17.033 1.00 0.00 PRO +ATOM 1903 HB1 SER 134 -10.541 4.121 -16.522 1.00 0.00 PRO +ATOM 1904 HB2 SER 134 -10.064 3.167 -17.971 1.00 0.00 PRO +ATOM 1905 OG SER 134 -8.706 4.634 -17.343 1.00 0.00 PRO +ATOM 1906 HG1 SER 134 -8.660 5.223 -16.549 1.00 0.00 PRO +ATOM 1907 C SER 134 -8.113 1.705 -16.833 1.00 0.00 PRO +ATOM 1908 O SER 134 -8.438 0.814 -17.627 1.00 0.00 PRO +ATOM 1909 N GLN 135 -6.828 1.999 -16.588 1.00 0.00 PRO +ATOM 1910 HN GLN 135 -6.617 2.707 -15.916 1.00 0.00 PRO +ATOM 1911 CA GLN 135 -5.704 1.370 -17.244 1.00 0.00 PRO +ATOM 1912 HA GLN 135 -6.026 0.934 -18.181 1.00 0.00 PRO +ATOM 1913 CB GLN 135 -4.593 2.419 -17.520 1.00 0.00 PRO +ATOM 1914 HB1 GLN 135 -3.759 1.923 -18.069 1.00 0.00 PRO +ATOM 1915 HB2 GLN 135 -4.187 2.791 -16.555 1.00 0.00 PRO +ATOM 1916 CG GLN 135 -5.043 3.645 -18.353 1.00 0.00 PRO +ATOM 1917 HG1 GLN 135 -4.156 4.261 -18.611 1.00 0.00 PRO +ATOM 1918 HG2 GLN 135 -5.725 4.273 -17.742 1.00 0.00 PRO +ATOM 1919 CD GLN 135 -5.729 3.245 -19.665 1.00 0.00 PRO +ATOM 1920 OE1 GLN 135 -5.132 2.657 -20.566 1.00 0.00 PRO +ATOM 1921 NE2 GLN 135 -7.028 3.596 -19.790 1.00 0.00 PRO +ATOM 1922 HE21 GLN 135 -7.499 3.990 -19.009 1.00 0.00 PRO +ATOM 1923 HE22 GLN 135 -7.483 3.290 -20.635 1.00 0.00 PRO +ATOM 1924 C GLN 135 -5.135 0.232 -16.409 1.00 0.00 PRO +ATOM 1925 O GLN 135 -4.058 -0.273 -16.710 1.00 0.00 PRO +ATOM 1926 N LEU 136 -5.849 -0.218 -15.358 1.00 0.00 PRO +ATOM 1927 HN LEU 136 -6.719 0.205 -15.105 1.00 0.00 PRO +ATOM 1928 CA LEU 136 -5.439 -1.338 -14.535 1.00 0.00 PRO +ATOM 1929 HA LEU 136 -4.401 -1.573 -14.709 1.00 0.00 PRO +ATOM 1930 CB LEU 136 -5.585 -1.024 -13.024 1.00 0.00 PRO +ATOM 1931 HB1 LEU 136 -5.254 -1.908 -12.432 1.00 0.00 PRO +ATOM 1932 HB2 LEU 136 -6.656 -0.833 -12.791 1.00 0.00 PRO +ATOM 1933 CG LEU 136 -4.787 0.196 -12.518 1.00 0.00 PRO +ATOM 1934 HG LEU 136 -5.104 1.101 -13.087 1.00 0.00 PRO +ATOM 1935 CD1 LEU 136 -5.112 0.436 -11.035 1.00 0.00 PRO +ATOM 1936 HD11 LEU 136 -4.814 -0.445 -10.427 1.00 0.00 PRO +ATOM 1937 HD12 LEU 136 -6.199 0.603 -10.891 1.00 0.00 PRO +ATOM 1938 HD13 LEU 136 -4.571 1.322 -10.648 1.00 0.00 PRO +ATOM 1939 CD2 LEU 136 -3.275 0.013 -12.715 1.00 0.00 PRO +ATOM 1940 HD21 LEU 136 -3.019 -0.056 -13.792 1.00 0.00 PRO +ATOM 1941 HD22 LEU 136 -2.927 -0.909 -12.203 1.00 0.00 PRO +ATOM 1942 HD23 LEU 136 -2.725 0.877 -12.286 1.00 0.00 PRO +ATOM 1943 C LEU 136 -6.314 -2.554 -14.852 1.00 0.00 PRO +ATOM 1944 O LEU 136 -7.498 -2.566 -14.500 1.00 0.00 PRO +ATOM 1945 N PRO 137 -5.819 -3.604 -15.497 1.00 0.00 PRO +ATOM 1946 CD PRO 137 -4.559 -3.614 -16.250 1.00 0.00 PRO +ATOM 1947 HD1 PRO 137 -3.690 -3.449 -15.578 1.00 0.00 PRO +ATOM 1948 HD2 PRO 137 -4.589 -2.828 -17.039 1.00 0.00 PRO +ATOM 1949 CA PRO 137 -6.600 -4.818 -15.706 1.00 0.00 PRO +ATOM 1950 HA PRO 137 -7.656 -4.610 -15.789 1.00 0.00 PRO +ATOM 1951 CB PRO 137 -5.972 -5.374 -16.997 1.00 0.00 PRO +ATOM 1952 HB1 PRO 137 -6.404 -4.836 -17.870 1.00 0.00 PRO +ATOM 1953 HB2 PRO 137 -6.117 -6.460 -17.157 1.00 0.00 PRO +ATOM 1954 CG PRO 137 -4.493 -5.000 -16.886 1.00 0.00 PRO +ATOM 1955 HG1 PRO 137 -3.973 -5.702 -16.196 1.00 0.00 PRO +ATOM 1956 HG2 PRO 137 -3.973 -4.996 -17.867 1.00 0.00 PRO +ATOM 1957 C PRO 137 -6.376 -5.756 -14.527 1.00 0.00 PRO +ATOM 1958 O PRO 137 -5.866 -5.345 -13.504 1.00 0.00 PRO +ATOM 1959 N CYS 138 -6.762 -7.046 -14.697 1.00 0.00 PRO +ATOM 1960 HN CYS 138 -7.170 -7.343 -15.542 1.00 0.00 PRO +ATOM 1961 CA CYS 138 -6.530 -8.106 -13.731 1.00 0.00 PRO +ATOM 1962 HA CYS 138 -7.039 -7.848 -12.811 1.00 0.00 PRO +ATOM 1963 CB CYS 138 -7.050 -9.469 -14.271 1.00 0.00 PRO +ATOM 1964 HB1 CYS 138 -6.866 -10.256 -13.502 1.00 0.00 PRO +ATOM 1965 HB2 CYS 138 -6.463 -9.737 -15.176 1.00 0.00 PRO +ATOM 1966 SG CYS 138 -8.814 -9.471 -14.714 1.00 0.00 PRO +ATOM 1967 C CYS 138 -5.060 -8.316 -13.409 1.00 0.00 PRO +ATOM 1968 O CYS 138 -4.209 -8.308 -14.311 1.00 0.00 PRO +ATOM 1969 N GLY 139 -4.738 -8.538 -12.124 1.00 0.00 PRO +ATOM 1970 HN GLY 139 -5.488 -8.598 -11.439 1.00 0.00 PRO +ATOM 1971 CA GLY 139 -3.387 -8.852 -11.670 1.00 0.00 PRO +ATOM 1972 HA1 GLY 139 -2.811 -9.244 -12.492 1.00 0.00 PRO +ATOM 1973 HA2 GLY 139 -3.466 -9.558 -10.859 1.00 0.00 PRO +ATOM 1974 C GLY 139 -2.601 -7.674 -11.166 1.00 0.00 PRO +ATOM 1975 O GLY 139 -1.501 -7.820 -10.667 1.00 0.00 PRO +ATOM 1976 N LEU 140 -3.173 -6.463 -11.304 1.00 0.00 PRO +ATOM 1977 HN LEU 140 -4.078 -6.397 -11.703 1.00 0.00 PRO +ATOM 1978 CA LEU 140 -2.547 -5.228 -10.882 1.00 0.00 PRO +ATOM 1979 HA LEU 140 -1.547 -5.416 -10.511 1.00 0.00 PRO +ATOM 1980 CB LEU 140 -2.475 -4.156 -12.007 1.00 0.00 PRO +ATOM 1981 HB1 LEU 140 -2.314 -3.152 -11.548 1.00 0.00 PRO +ATOM 1982 HB2 LEU 140 -3.442 -4.125 -12.553 1.00 0.00 PRO +ATOM 1983 CG LEU 140 -1.310 -4.332 -13.006 1.00 0.00 PRO +ATOM 1984 HG LEU 140 -0.371 -4.478 -12.414 1.00 0.00 PRO +ATOM 1985 CD1 LEU 140 -1.464 -5.546 -13.934 1.00 0.00 PRO +ATOM 1986 HD11 LEU 140 -2.428 -5.506 -14.479 1.00 0.00 PRO +ATOM 1987 HD12 LEU 140 -1.424 -6.488 -13.350 1.00 0.00 PRO +ATOM 1988 HD13 LEU 140 -0.628 -5.572 -14.665 1.00 0.00 PRO +ATOM 1989 CD2 LEU 140 -1.134 -3.049 -13.832 1.00 0.00 PRO +ATOM 1990 HD21 LEU 140 -0.849 -2.201 -13.175 1.00 0.00 PRO +ATOM 1991 HD22 LEU 140 -2.072 -2.790 -14.358 1.00 0.00 PRO +ATOM 1992 HD23 LEU 140 -0.331 -3.192 -14.584 1.00 0.00 PRO +ATOM 1993 C LEU 140 -3.330 -4.659 -9.729 1.00 0.00 PRO +ATOM 1994 O LEU 140 -4.516 -4.953 -9.549 1.00 0.00 PRO +ATOM 1995 N ASN 141 -2.678 -3.832 -8.909 1.00 0.00 PRO +ATOM 1996 HN ASN 141 -1.694 -3.664 -9.026 1.00 0.00 PRO +ATOM 1997 CA ASN 141 -3.311 -3.162 -7.805 1.00 0.00 PRO +ATOM 1998 HA ASN 141 -4.365 -3.021 -8.009 1.00 0.00 PRO +ATOM 1999 CB ASN 141 -3.150 -4.030 -6.527 1.00 0.00 PRO +ATOM 2000 HB1 ASN 141 -2.072 -4.235 -6.353 1.00 0.00 PRO +ATOM 2001 HB2 ASN 141 -3.670 -4.992 -6.725 1.00 0.00 PRO +ATOM 2002 CG ASN 141 -3.756 -3.436 -5.260 1.00 0.00 PRO +ATOM 2003 OD1 ASN 141 -4.362 -2.364 -5.255 1.00 0.00 PRO +ATOM 2004 ND2 ASN 141 -3.605 -4.183 -4.145 1.00 0.00 PRO +ATOM 2005 HD21 ASN 141 -3.946 -3.812 -3.278 1.00 0.00 PRO +ATOM 2006 HD22 ASN 141 -3.099 -5.037 -4.185 1.00 0.00 PRO +ATOM 2007 C ASN 141 -2.684 -1.783 -7.709 1.00 0.00 PRO +ATOM 2008 O ASN 141 -1.487 -1.627 -7.516 1.00 0.00 PRO +ATOM 2009 N GLY 142 -3.521 -0.737 -7.886 1.00 0.00 PRO +ATOM 2010 HN GLY 142 -4.491 -0.910 -8.063 1.00 0.00 PRO +ATOM 2011 CA GLY 142 -3.156 0.627 -7.549 1.00 0.00 PRO +ATOM 2012 HA1 GLY 142 -3.628 1.283 -8.260 1.00 0.00 PRO +ATOM 2013 HA2 GLY 142 -2.083 0.747 -7.489 1.00 0.00 PRO +ATOM 2014 C GLY 142 -3.748 0.914 -6.207 1.00 0.00 PRO +ATOM 2015 O GLY 142 -4.965 1.020 -6.071 1.00 0.00 PRO +ATOM 2016 N ALA 143 -2.894 1.060 -5.186 1.00 0.00 PRO +ATOM 2017 HN ALA 143 -1.907 1.052 -5.327 1.00 0.00 PRO +ATOM 2018 CA ALA 143 -3.327 1.131 -3.814 1.00 0.00 PRO +ATOM 2019 HA ALA 143 -4.397 0.984 -3.758 1.00 0.00 PRO +ATOM 2020 CB ALA 143 -2.660 0.035 -2.963 1.00 0.00 PRO +ATOM 2021 HB1 ALA 143 -1.557 0.148 -2.949 1.00 0.00 PRO +ATOM 2022 HB2 ALA 143 -2.901 -0.967 -3.379 1.00 0.00 PRO +ATOM 2023 HB3 ALA 143 -3.032 0.057 -1.914 1.00 0.00 PRO +ATOM 2024 C ALA 143 -3.028 2.494 -3.230 1.00 0.00 PRO +ATOM 2025 O ALA 143 -2.075 3.186 -3.602 1.00 0.00 PRO +ATOM 2026 N LEU 144 -3.885 2.920 -2.295 1.00 0.00 PRO +ATOM 2027 HN LEU 144 -4.616 2.297 -1.992 1.00 0.00 PRO +ATOM 2028 CA LEU 144 -3.690 4.114 -1.510 1.00 0.00 PRO +ATOM 2029 HA LEU 144 -2.645 4.394 -1.526 1.00 0.00 PRO +ATOM 2030 CB LEU 144 -4.569 5.296 -1.999 1.00 0.00 PRO +ATOM 2031 HB1 LEU 144 -5.641 5.012 -1.995 1.00 0.00 PRO +ATOM 2032 HB2 LEU 144 -4.275 5.467 -3.060 1.00 0.00 PRO +ATOM 2033 CG LEU 144 -4.385 6.626 -1.230 1.00 0.00 PRO +ATOM 2034 HG LEU 144 -3.312 6.687 -0.928 1.00 0.00 PRO +ATOM 2035 CD1 LEU 144 -4.688 7.823 -2.147 1.00 0.00 PRO +ATOM 2036 HD11 LEU 144 -5.754 7.793 -2.456 1.00 0.00 PRO +ATOM 2037 HD12 LEU 144 -4.056 7.785 -3.059 1.00 0.00 PRO +ATOM 2038 HD13 LEU 144 -4.495 8.777 -1.615 1.00 0.00 PRO +ATOM 2039 CD2 LEU 144 -5.262 6.728 0.030 1.00 0.00 PRO +ATOM 2040 HD21 LEU 144 -5.036 5.925 0.759 1.00 0.00 PRO +ATOM 2041 HD22 LEU 144 -6.337 6.660 -0.240 1.00 0.00 PRO +ATOM 2042 HD23 LEU 144 -5.080 7.691 0.547 1.00 0.00 PRO +ATOM 2043 C LEU 144 -4.034 3.714 -0.101 1.00 0.00 PRO +ATOM 2044 O LEU 144 -5.106 3.179 0.162 1.00 0.00 PRO +ATOM 2045 N TYR 145 -3.119 3.945 0.849 1.00 0.00 PRO +ATOM 2046 HN TYR 145 -2.251 4.409 0.662 1.00 0.00 PRO +ATOM 2047 CA TYR 145 -3.261 3.345 2.153 1.00 0.00 PRO +ATOM 2048 HA TYR 145 -4.285 3.462 2.475 1.00 0.00 PRO +ATOM 2049 CB TYR 145 -2.928 1.824 2.145 1.00 0.00 PRO +ATOM 2050 HB1 TYR 145 -3.597 1.314 1.419 1.00 0.00 PRO +ATOM 2051 HB2 TYR 145 -3.124 1.355 3.131 1.00 0.00 PRO +ATOM 2052 CG TYR 145 -1.521 1.486 1.741 1.00 0.00 PRO +ATOM 2053 CD1 TYR 145 -1.115 1.540 0.396 1.00 0.00 PRO +ATOM 2054 HD1 TYR 145 -1.818 1.853 -0.359 1.00 0.00 PRO +ATOM 2055 CE1 TYR 145 0.174 1.142 0.024 1.00 0.00 PRO +ATOM 2056 HE1 TYR 145 0.470 1.186 -1.011 1.00 0.00 PRO +ATOM 2057 CZ TYR 145 1.049 0.633 0.992 1.00 0.00 PRO +ATOM 2058 OH TYR 145 2.323 0.163 0.633 1.00 0.00 PRO +ATOM 2059 HH TYR 145 2.642 -0.346 1.405 1.00 0.00 PRO +ATOM 2060 CD2 TYR 145 -0.630 0.976 2.697 1.00 0.00 PRO +ATOM 2061 HD2 TYR 145 -0.956 0.843 3.719 1.00 0.00 PRO +ATOM 2062 CE2 TYR 145 0.649 0.549 2.326 1.00 0.00 PRO +ATOM 2063 HE2 TYR 145 1.296 0.115 3.076 1.00 0.00 PRO +ATOM 2064 C TYR 145 -2.430 4.130 3.144 1.00 0.00 PRO +ATOM 2065 O TYR 145 -1.686 5.036 2.794 1.00 0.00 PRO +ATOM 2066 N PHE 146 -2.609 3.826 4.438 1.00 0.00 PRO +ATOM 2067 HN PHE 146 -3.221 3.070 4.681 1.00 0.00 PRO +ATOM 2068 CA PHE 146 -1.867 4.442 5.514 1.00 0.00 PRO +ATOM 2069 HA PHE 146 -1.066 5.046 5.112 1.00 0.00 PRO +ATOM 2070 CB PHE 146 -2.759 5.281 6.463 1.00 0.00 PRO +ATOM 2071 HB1 PHE 146 -2.176 5.619 7.340 1.00 0.00 PRO +ATOM 2072 HB2 PHE 146 -3.607 4.674 6.834 1.00 0.00 PRO +ATOM 2073 CG PHE 146 -3.301 6.504 5.793 1.00 0.00 PRO +ATOM 2074 CD1 PHE 146 -2.610 7.718 5.911 1.00 0.00 PRO +ATOM 2075 HD1 PHE 146 -1.668 7.746 6.439 1.00 0.00 PRO +ATOM 2076 CE1 PHE 146 -3.131 8.886 5.349 1.00 0.00 PRO +ATOM 2077 HE1 PHE 146 -2.579 9.805 5.424 1.00 0.00 PRO +ATOM 2078 CZ PHE 146 -4.355 8.856 4.678 1.00 0.00 PRO +ATOM 2079 HZ PHE 146 -4.745 9.759 4.241 1.00 0.00 PRO +ATOM 2080 CD2 PHE 146 -4.537 6.483 5.125 1.00 0.00 PRO +ATOM 2081 HD2 PHE 146 -5.075 5.550 5.050 1.00 0.00 PRO +ATOM 2082 CE2 PHE 146 -5.063 7.654 4.564 1.00 0.00 PRO +ATOM 2083 HE2 PHE 146 -6.008 7.635 4.045 1.00 0.00 PRO +ATOM 2084 C PHE 146 -1.230 3.359 6.353 1.00 0.00 PRO +ATOM 2085 O PHE 146 -1.794 2.292 6.531 1.00 0.00 PRO +ATOM 2086 N VAL 147 -0.052 3.652 6.932 1.00 0.00 PRO +ATOM 2087 HN VAL 147 0.401 4.523 6.761 1.00 0.00 PRO +ATOM 2088 CA VAL 147 0.663 2.716 7.786 1.00 0.00 PRO +ATOM 2089 HA VAL 147 -0.033 2.014 8.222 1.00 0.00 PRO +ATOM 2090 CB VAL 147 1.763 1.929 7.073 1.00 0.00 PRO +ATOM 2091 HB VAL 147 2.384 1.371 7.814 1.00 0.00 PRO +ATOM 2092 CG1 VAL 147 1.139 0.871 6.147 1.00 0.00 PRO +ATOM 2093 HG11 VAL 147 0.556 1.342 5.331 1.00 0.00 PRO +ATOM 2094 HG12 VAL 147 0.463 0.196 6.710 1.00 0.00 PRO +ATOM 2095 HG13 VAL 147 1.928 0.240 5.682 1.00 0.00 PRO +ATOM 2096 CG2 VAL 147 2.672 2.874 6.273 1.00 0.00 PRO +ATOM 2097 HG21 VAL 147 3.136 3.642 6.921 1.00 0.00 PRO +ATOM 2098 HG22 VAL 147 2.094 3.391 5.484 1.00 0.00 PRO +ATOM 2099 HG23 VAL 147 3.477 2.286 5.781 1.00 0.00 PRO +ATOM 2100 C VAL 147 1.267 3.501 8.931 1.00 0.00 PRO +ATOM 2101 O VAL 147 1.620 4.674 8.802 1.00 0.00 PRO +ATOM 2102 N SER 148 1.375 2.888 10.125 1.00 0.00 PRO +ATOM 2103 HN SER 148 1.046 1.944 10.223 1.00 0.00 PRO +ATOM 2104 CA SER 148 1.961 3.538 11.293 1.00 0.00 PRO +ATOM 2105 HA SER 148 1.678 4.582 11.279 1.00 0.00 PRO +ATOM 2106 CB SER 148 1.461 2.955 12.642 1.00 0.00 PRO +ATOM 2107 HB1 SER 148 2.021 3.401 13.494 1.00 0.00 PRO +ATOM 2108 HB2 SER 148 1.629 1.855 12.643 1.00 0.00 PRO +ATOM 2109 OG SER 148 0.071 3.217 12.852 1.00 0.00 PRO +ATOM 2110 HG1 SER 148 -0.043 4.174 12.792 1.00 0.00 PRO +ATOM 2111 C SER 148 3.485 3.524 11.298 1.00 0.00 PRO +ATOM 2112 O SER 148 4.120 2.887 12.136 1.00 0.00 PRO +ATOM 2113 N MET 149 4.096 4.274 10.358 1.00 0.00 PRO +ATOM 2114 HN MET 149 3.536 4.782 9.708 1.00 0.00 PRO +ATOM 2115 CA MET 149 5.527 4.491 10.278 1.00 0.00 PRO +ATOM 2116 HA MET 149 6.029 3.586 10.590 1.00 0.00 PRO +ATOM 2117 CB MET 149 5.984 4.829 8.830 1.00 0.00 PRO +ATOM 2118 HB1 MET 149 7.049 5.154 8.829 1.00 0.00 PRO +ATOM 2119 HB2 MET 149 5.374 5.681 8.459 1.00 0.00 PRO +ATOM 2120 CG MET 149 5.876 3.648 7.845 1.00 0.00 PRO +ATOM 2121 HG1 MET 149 4.922 3.111 8.040 1.00 0.00 PRO +ATOM 2122 HG2 MET 149 6.687 2.920 8.066 1.00 0.00 PRO +ATOM 2123 SD MET 149 5.926 4.134 6.085 1.00 0.00 PRO +ATOM 2124 CE MET 149 7.574 4.883 6.032 1.00 0.00 PRO +ATOM 2125 HE1 MET 149 8.357 4.158 6.336 1.00 0.00 PRO +ATOM 2126 HE2 MET 149 7.626 5.755 6.714 1.00 0.00 PRO +ATOM 2127 HE3 MET 149 7.810 5.236 5.005 1.00 0.00 PRO +ATOM 2128 C MET 149 5.982 5.588 11.224 1.00 0.00 PRO +ATOM 2129 O MET 149 5.184 6.346 11.771 1.00 0.00 PRO +ATOM 2130 N ASP 150 7.303 5.699 11.447 1.00 0.00 PRO +ATOM 2131 HN ASP 150 7.949 5.051 11.053 1.00 0.00 PRO +ATOM 2132 CA ASP 150 7.871 6.818 12.163 1.00 0.00 PRO +ATOM 2133 HA ASP 150 7.157 7.173 12.898 1.00 0.00 PRO +ATOM 2134 CB ASP 150 9.195 6.408 12.874 1.00 0.00 PRO +ATOM 2135 HB1 ASP 150 9.600 7.282 13.425 1.00 0.00 PRO +ATOM 2136 HB2 ASP 150 9.941 6.113 12.107 1.00 0.00 PRO +ATOM 2137 CG ASP 150 9.067 5.261 13.875 1.00 0.00 PRO +ATOM 2138 OD1 ASP 150 8.059 5.169 14.643 1.00 0.00 PRO +ATOM 2139 OD2 ASP 150 10.053 4.516 14.046 1.00 0.00 PRO +ATOM 2140 C ASP 150 8.143 7.961 11.169 1.00 0.00 PRO +ATOM 2141 O ASP 150 8.620 7.741 10.054 1.00 0.00 PRO +ATOM 2142 N ALA 151 7.877 9.227 11.562 1.00 0.00 PRO +ATOM 2143 HN ALA 151 7.427 9.364 12.434 1.00 0.00 PRO +ATOM 2144 CA ALA 151 7.936 10.408 10.702 1.00 0.00 PRO +ATOM 2145 HA ALA 151 7.212 10.258 9.912 1.00 0.00 PRO +ATOM 2146 CB ALA 151 7.553 11.675 11.499 1.00 0.00 PRO +ATOM 2147 HB1 ALA 151 8.310 11.902 12.278 1.00 0.00 PRO +ATOM 2148 HB2 ALA 151 6.566 11.524 11.984 1.00 0.00 PRO +ATOM 2149 HB3 ALA 151 7.465 12.548 10.814 1.00 0.00 PRO +ATOM 2150 C ALA 151 9.288 10.679 10.062 1.00 0.00 PRO +ATOM 2151 O ALA 151 9.388 11.235 8.958 1.00 0.00 PRO +ATOM 2152 N ASP 152 10.380 10.335 10.759 1.00 0.00 PRO +ATOM 2153 HN ASP 152 10.301 9.835 11.627 1.00 0.00 PRO +ATOM 2154 CA ASP 152 11.734 10.599 10.338 1.00 0.00 PRO +ATOM 2155 HA ASP 152 11.732 11.424 9.637 1.00 0.00 PRO +ATOM 2156 CB ASP 152 12.593 10.992 11.589 1.00 0.00 PRO +ATOM 2157 HB1 ASP 152 12.112 11.861 12.079 1.00 0.00 PRO +ATOM 2158 HB2 ASP 152 13.607 11.284 11.246 1.00 0.00 PRO +ATOM 2159 CG ASP 152 12.773 9.899 12.644 1.00 0.00 PRO +ATOM 2160 OD1 ASP 152 12.107 8.837 12.535 1.00 0.00 PRO +ATOM 2161 OD2 ASP 152 13.581 10.101 13.585 1.00 0.00 PRO +ATOM 2162 C ASP 152 12.320 9.404 9.591 1.00 0.00 PRO +ATOM 2163 O ASP 152 13.444 9.462 9.093 1.00 0.00 PRO +ATOM 2164 N GLY 153 11.556 8.298 9.463 1.00 0.00 PRO +ATOM 2165 HN GLY 153 10.623 8.293 9.837 1.00 0.00 PRO +ATOM 2166 CA GLY 153 11.996 7.075 8.809 1.00 0.00 PRO +ATOM 2167 HA1 GLY 153 12.625 7.320 7.965 1.00 0.00 PRO +ATOM 2168 HA2 GLY 153 11.113 6.523 8.520 1.00 0.00 PRO +ATOM 2169 C GLY 153 12.787 6.182 9.725 1.00 0.00 PRO +ATOM 2170 O GLY 153 13.393 5.212 9.287 1.00 0.00 PRO +ATOM 2171 N GLY 154 12.792 6.488 11.044 1.00 0.00 PRO +ATOM 2172 HN GLY 154 12.332 7.327 11.372 1.00 0.00 PRO +ATOM 2173 CA GLY 154 13.408 5.671 12.080 1.00 0.00 PRO +ATOM 2174 HA1 GLY 154 13.482 4.644 11.747 1.00 0.00 PRO +ATOM 2175 HA2 GLY 154 12.792 5.772 12.963 1.00 0.00 PRO +ATOM 2176 C GLY 154 14.798 6.112 12.466 1.00 0.00 PRO +ATOM 2177 O GLY 154 15.525 5.385 13.117 1.00 0.00 PRO +ATOM 2178 N VAL 155 15.212 7.333 12.055 1.00 0.00 PRO +ATOM 2179 HN VAL 155 14.572 7.914 11.564 1.00 0.00 PRO +ATOM 2180 CA VAL 155 16.534 7.888 12.342 1.00 0.00 PRO +ATOM 2181 HA VAL 155 17.280 7.190 11.980 1.00 0.00 PRO +ATOM 2182 CB VAL 155 16.738 9.228 11.629 1.00 0.00 PRO +ATOM 2183 HB VAL 155 15.929 9.935 11.929 1.00 0.00 PRO +ATOM 2184 CG1 VAL 155 18.111 9.860 11.958 1.00 0.00 PRO +ATOM 2185 HG11 VAL 155 18.926 9.153 11.700 1.00 0.00 PRO +ATOM 2186 HG12 VAL 155 18.212 10.120 13.031 1.00 0.00 PRO +ATOM 2187 HG13 VAL 155 18.256 10.787 11.364 1.00 0.00 PRO +ATOM 2188 CG2 VAL 155 16.649 8.990 10.111 1.00 0.00 PRO +ATOM 2189 HG21 VAL 155 15.660 8.576 9.827 1.00 0.00 PRO +ATOM 2190 HG22 VAL 155 17.437 8.278 9.785 1.00 0.00 PRO +ATOM 2191 HG23 VAL 155 16.790 9.946 9.563 1.00 0.00 PRO +ATOM 2192 C VAL 155 16.811 8.055 13.832 1.00 0.00 PRO +ATOM 2193 O VAL 155 17.863 7.715 14.339 1.00 0.00 PRO +ATOM 2194 N SER 156 15.819 8.591 14.581 1.00 0.00 PRO +ATOM 2195 HN SER 156 14.967 8.906 14.149 1.00 0.00 PRO +ATOM 2196 CA SER 156 15.924 8.760 16.025 1.00 0.00 PRO +ATOM 2197 HA SER 156 16.817 9.340 16.214 1.00 0.00 PRO +ATOM 2198 CB SER 156 14.708 9.544 16.591 1.00 0.00 PRO +ATOM 2199 HB1 SER 156 14.718 10.567 16.153 1.00 0.00 PRO +ATOM 2200 HB2 SER 156 14.792 9.649 17.696 1.00 0.00 PRO +ATOM 2201 OG SER 156 13.460 8.938 16.242 1.00 0.00 PRO +ATOM 2202 HG1 SER 156 13.286 9.172 15.307 1.00 0.00 PRO +ATOM 2203 C SER 156 16.103 7.482 16.839 1.00 0.00 PRO +ATOM 2204 O SER 156 16.914 7.417 17.752 1.00 0.00 PRO +ATOM 2205 N LYS 157 15.324 6.429 16.501 1.00 0.00 PRO +ATOM 2206 HN LYS 157 14.660 6.543 15.771 1.00 0.00 PRO +ATOM 2207 CA LYS 157 15.379 5.133 17.145 1.00 0.00 PRO +ATOM 2208 HA LYS 157 15.388 5.283 18.217 1.00 0.00 PRO +ATOM 2209 CB LYS 157 14.143 4.283 16.760 1.00 0.00 PRO +ATOM 2210 HB1 LYS 157 14.245 3.258 17.185 1.00 0.00 PRO +ATOM 2211 HB2 LYS 157 14.100 4.186 15.652 1.00 0.00 PRO +ATOM 2212 CG LYS 157 12.806 4.854 17.255 1.00 0.00 PRO +ATOM 2213 HG1 LYS 157 12.660 5.882 16.849 1.00 0.00 PRO +ATOM 2214 HG2 LYS 157 12.820 4.926 18.366 1.00 0.00 PRO +ATOM 2215 CD LYS 157 11.626 3.975 16.810 1.00 0.00 PRO +ATOM 2216 HD1 LYS 157 11.775 2.943 17.196 1.00 0.00 PRO +ATOM 2217 HD2 LYS 157 11.649 3.921 15.698 1.00 0.00 PRO +ATOM 2218 CE LYS 157 10.266 4.515 17.268 1.00 0.00 PRO +ATOM 2219 HE1 LYS 157 10.106 5.549 16.890 1.00 0.00 PRO +ATOM 2220 HE2 LYS 157 10.205 4.520 18.379 1.00 0.00 PRO +ATOM 2221 NZ LYS 157 9.178 3.677 16.734 1.00 0.00 PRO +ATOM 2222 HZ1 LYS 157 9.316 2.683 16.998 1.00 0.00 PRO +ATOM 2223 HZ2 LYS 157 9.175 3.809 15.681 1.00 0.00 PRO +ATOM 2224 HZ3 LYS 157 8.268 4.026 17.083 1.00 0.00 PRO +ATOM 2225 C LYS 157 16.630 4.335 16.805 1.00 0.00 PRO +ATOM 2226 O LYS 157 17.185 3.615 17.625 1.00 0.00 PRO +ATOM 2227 N TYR 158 17.082 4.471 15.538 1.00 0.00 PRO +ATOM 2228 HN TYR 158 16.625 5.092 14.902 1.00 0.00 PRO +ATOM 2229 CA TYR 158 18.137 3.653 14.977 1.00 0.00 PRO +ATOM 2230 HA TYR 158 18.562 3.011 15.740 1.00 0.00 PRO +ATOM 2231 CB TYR 158 17.575 2.735 13.848 1.00 0.00 PRO +ATOM 2232 HB1 TYR 158 18.331 1.975 13.562 1.00 0.00 PRO +ATOM 2233 HB2 TYR 158 17.319 3.340 12.949 1.00 0.00 PRO +ATOM 2234 CG TYR 158 16.313 2.029 14.297 1.00 0.00 PRO +ATOM 2235 CD1 TYR 158 16.325 1.185 15.421 1.00 0.00 PRO +ATOM 2236 HD1 TYR 158 17.255 1.005 15.939 1.00 0.00 PRO +ATOM 2237 CE1 TYR 158 15.131 0.639 15.917 1.00 0.00 PRO +ATOM 2238 HE1 TYR 158 15.150 0.034 16.809 1.00 0.00 PRO +ATOM 2239 CZ TYR 158 13.913 0.903 15.277 1.00 0.00 PRO +ATOM 2240 OH TYR 158 12.696 0.377 15.771 1.00 0.00 PRO +ATOM 2241 HH TYR 158 12.031 0.522 15.072 1.00 0.00 PRO +ATOM 2242 CD2 TYR 158 15.090 2.249 13.637 1.00 0.00 PRO +ATOM 2243 HD2 TYR 158 15.058 2.892 12.769 1.00 0.00 PRO +ATOM 2244 CE2 TYR 158 13.898 1.696 14.126 1.00 0.00 PRO +ATOM 2245 HE2 TYR 158 12.962 1.915 13.631 1.00 0.00 PRO +ATOM 2246 C TYR 158 19.226 4.550 14.433 1.00 0.00 PRO +ATOM 2247 O TYR 158 19.118 4.990 13.238 1.00 0.00 PRO +ATOM 2248 N PRO 159 20.328 4.842 15.107 1.00 0.00 PRO +ATOM 2249 CD PRO 159 20.439 4.591 16.562 1.00 0.00 PRO +ATOM 2250 HD1 PRO 159 20.966 3.624 16.704 1.00 0.00 PRO +ATOM 2251 HD2 PRO 159 19.456 4.567 17.076 1.00 0.00 PRO +ATOM 2252 CA PRO 159 21.265 5.887 14.691 1.00 0.00 PRO +ATOM 2253 HA PRO 159 20.687 6.772 14.441 1.00 0.00 PRO +ATOM 2254 CB PRO 159 22.179 6.076 15.911 1.00 0.00 PRO +ATOM 2255 HB1 PRO 159 22.588 7.105 15.952 1.00 0.00 PRO +ATOM 2256 HB2 PRO 159 23.020 5.348 15.891 1.00 0.00 PRO +ATOM 2257 CG PRO 159 21.261 5.764 17.088 1.00 0.00 PRO +ATOM 2258 HG1 PRO 159 21.793 5.539 18.033 1.00 0.00 PRO +ATOM 2259 HG2 PRO 159 20.577 6.629 17.258 1.00 0.00 PRO +ATOM 2260 C PRO 159 22.108 5.521 13.485 1.00 0.00 PRO +ATOM 2261 O PRO 159 22.780 6.391 12.923 1.00 0.00 PRO +ATOM 2262 N THR 160 22.149 4.234 13.108 1.00 0.00 PRO +ATOM 2263 HN THR 160 21.628 3.535 13.599 1.00 0.00 PRO +ATOM 2264 CA THR 160 22.876 3.731 11.949 1.00 0.00 PRO +ATOM 2265 HA THR 160 23.818 4.256 11.879 1.00 0.00 PRO +ATOM 2266 CB THR 160 23.163 2.238 12.032 1.00 0.00 PRO +ATOM 2267 HB THR 160 23.419 1.800 11.036 1.00 0.00 PRO +ATOM 2268 OG1 THR 160 22.056 1.543 12.602 1.00 0.00 PRO +ATOM 2269 HG1 THR 160 21.693 1.014 11.874 1.00 0.00 PRO +ATOM 2270 CG2 THR 160 24.366 2.019 12.964 1.00 0.00 PRO +ATOM 2271 HG21 THR 160 24.142 2.373 13.991 1.00 0.00 PRO +ATOM 2272 HG22 THR 160 25.249 2.575 12.585 1.00 0.00 PRO +ATOM 2273 HG23 THR 160 24.621 0.940 13.013 1.00 0.00 PRO +ATOM 2274 C THR 160 22.132 4.024 10.664 1.00 0.00 PRO +ATOM 2275 O THR 160 22.697 4.018 9.572 1.00 0.00 PRO +ATOM 2276 N ASN 161 20.832 4.354 10.781 1.00 0.00 PRO +ATOM 2277 HN ASN 161 20.403 4.402 11.684 1.00 0.00 PRO +ATOM 2278 CA ASN 161 20.065 4.930 9.709 1.00 0.00 PRO +ATOM 2279 HA ASN 161 20.410 4.529 8.763 1.00 0.00 PRO +ATOM 2280 CB ASN 161 18.562 4.610 9.905 1.00 0.00 PRO +ATOM 2281 HB1 ASN 161 18.201 5.068 10.851 1.00 0.00 PRO +ATOM 2282 HB2 ASN 161 18.428 3.515 9.981 1.00 0.00 PRO +ATOM 2283 CG ASN 161 17.723 5.114 8.736 1.00 0.00 PRO +ATOM 2284 OD1 ASN 161 18.233 5.499 7.684 1.00 0.00 PRO +ATOM 2285 ND2 ASN 161 16.382 5.138 8.944 1.00 0.00 PRO +ATOM 2286 HD21 ASN 161 15.789 5.353 8.174 1.00 0.00 PRO +ATOM 2287 HD22 ASN 161 16.001 4.906 9.838 1.00 0.00 PRO +ATOM 2288 C ASN 161 20.301 6.434 9.719 1.00 0.00 PRO +ATOM 2289 O ASN 161 19.900 7.142 10.639 1.00 0.00 PRO +ATOM 2290 N THR 162 20.969 6.960 8.687 1.00 0.00 PRO +ATOM 2291 HN THR 162 21.350 6.371 7.985 1.00 0.00 PRO +ATOM 2292 CA THR 162 21.211 8.391 8.534 1.00 0.00 PRO +ATOM 2293 HA THR 162 20.677 8.942 9.297 1.00 0.00 PRO +ATOM 2294 CB THR 162 22.685 8.783 8.617 1.00 0.00 PRO +ATOM 2295 HB THR 162 22.809 9.876 8.414 1.00 0.00 PRO +ATOM 2296 OG1 THR 162 23.516 8.041 7.728 1.00 0.00 PRO +ATOM 2297 HG1 THR 162 24.296 8.603 7.646 1.00 0.00 PRO +ATOM 2298 CG2 THR 162 23.192 8.503 10.039 1.00 0.00 PRO +ATOM 2299 HG21 THR 162 23.133 7.419 10.278 1.00 0.00 PRO +ATOM 2300 HG22 THR 162 22.573 9.049 10.782 1.00 0.00 PRO +ATOM 2301 HG23 THR 162 24.245 8.834 10.148 1.00 0.00 PRO +ATOM 2302 C THR 162 20.637 8.848 7.219 1.00 0.00 PRO +ATOM 2303 O THR 162 20.961 9.928 6.720 1.00 0.00 PRO +ATOM 2304 N ALA 163 19.769 8.027 6.608 1.00 0.00 PRO +ATOM 2305 HN ALA 163 19.475 7.182 7.056 1.00 0.00 PRO +ATOM 2306 CA ALA 163 19.171 8.321 5.325 1.00 0.00 PRO +ATOM 2307 HA ALA 163 19.720 9.104 4.820 1.00 0.00 PRO +ATOM 2308 CB ALA 163 19.186 7.029 4.485 1.00 0.00 PRO +ATOM 2309 HB1 ALA 163 18.493 6.269 4.903 1.00 0.00 PRO +ATOM 2310 HB2 ALA 163 20.206 6.600 4.467 1.00 0.00 PRO +ATOM 2311 HB3 ALA 163 18.898 7.246 3.437 1.00 0.00 PRO +ATOM 2312 C ALA 163 17.751 8.809 5.525 1.00 0.00 PRO +ATOM 2313 O ALA 163 17.300 9.766 4.874 1.00 0.00 PRO +ATOM 2314 N GLY 164 17.034 8.212 6.492 1.00 0.00 PRO +ATOM 2315 HN GLY 164 17.412 7.404 6.950 1.00 0.00 PRO +ATOM 2316 CA GLY 164 15.697 8.604 6.910 1.00 0.00 PRO +ATOM 2317 HA1 GLY 164 15.786 9.593 7.343 1.00 0.00 PRO +ATOM 2318 HA2 GLY 164 15.353 7.872 7.623 1.00 0.00 PRO +ATOM 2319 C GLY 164 14.640 8.696 5.845 1.00 0.00 PRO +ATOM 2320 O GLY 164 14.699 8.062 4.783 1.00 0.00 PRO +ATOM 2321 N ALA 165 13.618 9.516 6.115 1.00 0.00 PRO +ATOM 2322 HN ALA 165 13.590 9.974 7.006 1.00 0.00 PRO +ATOM 2323 CA ALA 165 12.453 9.706 5.276 1.00 0.00 PRO +ATOM 2324 HA ALA 165 11.979 8.741 5.165 1.00 0.00 PRO +ATOM 2325 CB ALA 165 11.480 10.680 5.968 1.00 0.00 PRO +ATOM 2326 HB1 ALA 165 11.935 11.684 6.084 1.00 0.00 PRO +ATOM 2327 HB2 ALA 165 11.204 10.294 6.973 1.00 0.00 PRO +ATOM 2328 HB3 ALA 165 10.544 10.775 5.377 1.00 0.00 PRO +ATOM 2329 C ALA 165 12.781 10.196 3.874 1.00 0.00 PRO +ATOM 2330 O ALA 165 12.104 9.849 2.904 1.00 0.00 PRO +ATOM 2331 N LYS 166 13.867 10.977 3.726 1.00 0.00 PRO +ATOM 2332 HN LYS 166 14.428 11.145 4.530 1.00 0.00 PRO +ATOM 2333 CA LYS 166 14.366 11.506 2.463 1.00 0.00 PRO +ATOM 2334 HA LYS 166 13.567 12.074 2.004 1.00 0.00 PRO +ATOM 2335 CB LYS 166 15.586 12.438 2.718 1.00 0.00 PRO +ATOM 2336 HB1 LYS 166 16.402 11.853 3.196 1.00 0.00 PRO +ATOM 2337 HB2 LYS 166 15.255 13.217 3.439 1.00 0.00 PRO +ATOM 2338 CG LYS 166 16.114 13.126 1.442 1.00 0.00 PRO +ATOM 2339 HG1 LYS 166 15.233 13.544 0.903 1.00 0.00 PRO +ATOM 2340 HG2 LYS 166 16.567 12.364 0.768 1.00 0.00 PRO +ATOM 2341 CD LYS 166 17.134 14.254 1.701 1.00 0.00 PRO +ATOM 2342 HD1 LYS 166 18.035 13.804 2.175 1.00 0.00 PRO +ATOM 2343 HD2 LYS 166 16.674 14.970 2.418 1.00 0.00 PRO +ATOM 2344 CE LYS 166 17.536 14.993 0.410 1.00 0.00 PRO +ATOM 2345 HE1 LYS 166 16.634 15.462 -0.044 1.00 0.00 PRO +ATOM 2346 HE2 LYS 166 17.967 14.275 -0.321 1.00 0.00 PRO +ATOM 2347 NZ LYS 166 18.540 16.062 0.661 1.00 0.00 PRO +ATOM 2348 HZ1 LYS 166 19.421 15.669 1.060 1.00 0.00 PRO +ATOM 2349 HZ2 LYS 166 18.176 16.769 1.327 1.00 0.00 PRO +ATOM 2350 HZ3 LYS 166 18.778 16.559 -0.225 1.00 0.00 PRO +ATOM 2351 C LYS 166 14.751 10.418 1.470 1.00 0.00 PRO +ATOM 2352 O LYS 166 14.671 10.589 0.251 1.00 0.00 PRO +ATOM 2353 N TYR 167 15.195 9.251 1.951 1.00 0.00 PRO +ATOM 2354 HN TYR 167 15.260 9.102 2.941 1.00 0.00 PRO +ATOM 2355 CA TYR 167 15.537 8.139 1.087 1.00 0.00 PRO +ATOM 2356 HA TYR 167 15.407 8.423 0.052 1.00 0.00 PRO +ATOM 2357 CB TYR 167 17.012 7.697 1.255 1.00 0.00 PRO +ATOM 2358 HB1 TYR 167 17.215 6.763 0.688 1.00 0.00 PRO +ATOM 2359 HB2 TYR 167 17.208 7.518 2.329 1.00 0.00 PRO +ATOM 2360 CG TYR 167 17.946 8.772 0.738 1.00 0.00 PRO +ATOM 2361 CD1 TYR 167 18.514 8.672 -0.545 1.00 0.00 PRO +ATOM 2362 HD1 TYR 167 18.278 7.827 -1.172 1.00 0.00 PRO +ATOM 2363 CE1 TYR 167 19.372 9.670 -1.030 1.00 0.00 PRO +ATOM 2364 HE1 TYR 167 19.799 9.581 -2.016 1.00 0.00 PRO +ATOM 2365 CZ TYR 167 19.664 10.785 -0.240 1.00 0.00 PRO +ATOM 2366 OH TYR 167 20.509 11.792 -0.748 1.00 0.00 PRO +ATOM 2367 HH TYR 167 20.942 11.418 -1.522 1.00 0.00 PRO +ATOM 2368 CD2 TYR 167 18.286 9.881 1.534 1.00 0.00 PRO +ATOM 2369 HD2 TYR 167 17.861 9.972 2.519 1.00 0.00 PRO +ATOM 2370 CE2 TYR 167 19.129 10.889 1.046 1.00 0.00 PRO +ATOM 2371 HE2 TYR 167 19.376 11.739 1.664 1.00 0.00 PRO +ATOM 2372 C TYR 167 14.567 6.988 1.274 1.00 0.00 PRO +ATOM 2373 O TYR 167 14.855 5.850 0.898 1.00 0.00 PRO +ATOM 2374 N GLY 168 13.363 7.268 1.816 1.00 0.00 PRO +ATOM 2375 HN GLY 168 13.157 8.200 2.129 1.00 0.00 PRO +ATOM 2376 CA GLY 168 12.249 6.328 1.844 1.00 0.00 PRO +ATOM 2377 HA1 GLY 168 12.133 5.911 0.855 1.00 0.00 PRO +ATOM 2378 HA2 GLY 168 11.372 6.871 2.161 1.00 0.00 PRO +ATOM 2379 C GLY 168 12.422 5.166 2.777 1.00 0.00 PRO +ATOM 2380 O GLY 168 11.979 4.063 2.483 1.00 0.00 PRO +ATOM 2381 N THR 169 13.101 5.366 3.922 1.00 0.00 PRO +ATOM 2382 HN THR 169 13.474 6.266 4.141 1.00 0.00 PRO +ATOM 2383 CA THR 169 13.356 4.289 4.870 1.00 0.00 PRO +ATOM 2384 HA THR 169 13.370 3.356 4.324 1.00 0.00 PRO +ATOM 2385 CB THR 169 14.697 4.396 5.611 1.00 0.00 PRO +ATOM 2386 HB THR 169 14.898 3.448 6.166 1.00 0.00 PRO +ATOM 2387 OG1 THR 169 14.749 5.468 6.554 1.00 0.00 PRO +ATOM 2388 HG1 THR 169 13.931 5.404 7.069 1.00 0.00 PRO +ATOM 2389 CG2 THR 169 15.829 4.593 4.592 1.00 0.00 PRO +ATOM 2390 HG21 THR 169 15.691 5.533 4.017 1.00 0.00 PRO +ATOM 2391 HG22 THR 169 15.844 3.744 3.876 1.00 0.00 PRO +ATOM 2392 HG23 THR 169 16.807 4.645 5.110 1.00 0.00 PRO +ATOM 2393 C THR 169 12.264 4.184 5.909 1.00 0.00 PRO +ATOM 2394 O THR 169 11.565 5.160 6.214 1.00 0.00 PRO +ATOM 2395 N GLY 170 12.140 3.003 6.536 1.00 0.00 PRO +ATOM 2396 HN GLY 170 12.608 2.193 6.166 1.00 0.00 PRO +ATOM 2397 CA GLY 170 11.364 2.816 7.755 1.00 0.00 PRO +ATOM 2398 HA1 GLY 170 11.189 3.768 8.235 1.00 0.00 PRO +ATOM 2399 HA2 GLY 170 11.906 2.130 8.387 1.00 0.00 PRO +ATOM 2400 C GLY 170 10.029 2.206 7.504 1.00 0.00 PRO +ATOM 2401 O GLY 170 9.175 2.205 8.390 1.00 0.00 PRO +ATOM 2402 N TYR 171 9.806 1.651 6.303 1.00 0.00 PRO +ATOM 2403 HN TYR 171 10.515 1.646 5.600 1.00 0.00 PRO +ATOM 2404 CA TYR 171 8.547 1.043 5.923 1.00 0.00 PRO +ATOM 2405 HA TYR 171 7.791 1.802 6.065 1.00 0.00 PRO +ATOM 2406 CB TYR 171 8.542 0.673 4.413 1.00 0.00 PRO +ATOM 2407 HB1 TYR 171 9.346 -0.067 4.206 1.00 0.00 PRO +ATOM 2408 HB2 TYR 171 8.761 1.580 3.811 1.00 0.00 PRO +ATOM 2409 CG TYR 171 7.219 0.107 3.941 1.00 0.00 PRO +ATOM 2410 CD1 TYR 171 6.054 0.900 3.923 1.00 0.00 PRO +ATOM 2411 HD1 TYR 171 6.100 1.924 4.255 1.00 0.00 PRO +ATOM 2412 CE1 TYR 171 4.840 0.376 3.449 1.00 0.00 PRO +ATOM 2413 HE1 TYR 171 3.946 0.985 3.447 1.00 0.00 PRO +ATOM 2414 CZ TYR 171 4.786 -0.943 2.991 1.00 0.00 PRO +ATOM 2415 OH TYR 171 3.601 -1.499 2.468 1.00 0.00 PRO +ATOM 2416 HH TYR 171 3.588 -2.442 2.738 1.00 0.00 PRO +ATOM 2417 CD2 TYR 171 7.133 -1.221 3.503 1.00 0.00 PRO +ATOM 2418 HD2 TYR 171 8.009 -1.845 3.524 1.00 0.00 PRO +ATOM 2419 CE2 TYR 171 5.925 -1.746 3.031 1.00 0.00 PRO +ATOM 2420 HE2 TYR 171 5.869 -2.768 2.686 1.00 0.00 PRO +ATOM 2421 C TYR 171 8.143 -0.129 6.826 1.00 0.00 PRO +ATOM 2422 O TYR 171 8.964 -0.858 7.377 1.00 0.00 PRO +ATOM 2423 N CYS 172 6.823 -0.279 7.019 1.00 0.00 PRO +ATOM 2424 HN CYS 172 6.140 0.306 6.583 1.00 0.00 PRO +ATOM 2425 CA CYS 172 6.263 -1.349 7.788 1.00 0.00 PRO +ATOM 2426 HA CYS 172 6.793 -2.266 7.564 1.00 0.00 PRO +ATOM 2427 CB CYS 172 6.317 -1.037 9.307 1.00 0.00 PRO +ATOM 2428 HB1 CYS 172 7.390 -0.969 9.572 1.00 0.00 PRO +ATOM 2429 HB2 CYS 172 5.893 -1.889 9.874 1.00 0.00 PRO +ATOM 2430 SG CYS 172 5.524 0.529 9.803 1.00 0.00 PRO +ATOM 2431 C CYS 172 4.849 -1.530 7.308 1.00 0.00 PRO +ATOM 2432 O CYS 172 4.251 -0.566 6.815 1.00 0.00 PRO +ATOM 2433 N ASP 173 4.298 -2.741 7.434 1.00 0.00 PRO +ATOM 2434 HN ASP 173 4.797 -3.509 7.835 1.00 0.00 PRO +ATOM 2435 CA ASP 173 2.939 -3.036 7.043 1.00 0.00 PRO +ATOM 2436 HA ASP 173 2.314 -2.253 7.453 1.00 0.00 PRO +ATOM 2437 CB ASP 173 2.726 -3.034 5.496 1.00 0.00 PRO +ATOM 2438 HB1 ASP 173 3.162 -2.115 5.058 1.00 0.00 PRO +ATOM 2439 HB2 ASP 173 1.634 -2.978 5.316 1.00 0.00 PRO +ATOM 2440 CG ASP 173 3.197 -4.228 4.691 1.00 0.00 PRO +ATOM 2441 OD1 ASP 173 2.881 -5.399 5.097 1.00 0.00 PRO +ATOM 2442 OD2 ASP 173 3.775 -4.020 3.615 1.00 0.00 PRO +ATOM 2443 C ASP 173 2.526 -4.304 7.774 1.00 0.00 PRO +ATOM 2444 O ASP 173 3.282 -4.858 8.574 1.00 0.00 PRO +ATOM 2445 N SER 174 1.276 -4.751 7.556 1.00 0.00 PRO +ATOM 2446 HN SER 174 0.712 -4.330 6.837 1.00 0.00 PRO +ATOM 2447 CA SER 174 0.665 -5.829 8.311 1.00 0.00 PRO +ATOM 2448 HA SER 174 0.970 -5.718 9.341 1.00 0.00 PRO +ATOM 2449 CB SER 174 -0.873 -5.715 8.266 1.00 0.00 PRO +ATOM 2450 HB1 SER 174 -1.161 -4.692 8.593 1.00 0.00 PRO +ATOM 2451 HB2 SER 174 -1.320 -6.435 8.982 1.00 0.00 PRO +ATOM 2452 OG SER 174 -1.395 -5.949 6.958 1.00 0.00 PRO +ATOM 2453 HG1 SER 174 -1.277 -5.134 6.417 1.00 0.00 PRO +ATOM 2454 C SER 174 1.092 -7.230 7.882 1.00 0.00 PRO +ATOM 2455 O SER 174 0.902 -8.208 8.616 1.00 0.00 PRO +ATOM 2456 N GLN 175 1.761 -7.373 6.716 1.00 0.00 PRO +ATOM 2457 HN GLN 175 1.909 -6.577 6.104 1.00 0.00 PRO +ATOM 2458 CA GLN 175 2.406 -8.614 6.316 1.00 0.00 PRO +ATOM 2459 HA GLN 175 1.768 -9.445 6.581 1.00 0.00 PRO +ATOM 2460 CB GLN 175 2.771 -8.631 4.804 1.00 0.00 PRO +ATOM 2461 HB1 GLN 175 3.233 -9.613 4.559 1.00 0.00 PRO +ATOM 2462 HB2 GLN 175 3.525 -7.837 4.589 1.00 0.00 PRO +ATOM 2463 CG GLN 175 1.587 -8.393 3.849 1.00 0.00 PRO +ATOM 2464 HG1 GLN 175 1.860 -8.653 2.807 1.00 0.00 PRO +ATOM 2465 HG2 GLN 175 1.330 -7.312 3.871 1.00 0.00 PRO +ATOM 2466 CD GLN 175 0.388 -9.232 4.268 1.00 0.00 PRO +ATOM 2467 OE1 GLN 175 0.476 -10.460 4.199 1.00 0.00 PRO +ATOM 2468 NE2 GLN 175 -0.717 -8.568 4.690 1.00 0.00 PRO +ATOM 2469 HE21 GLN 175 -0.715 -7.559 4.681 1.00 0.00 PRO +ATOM 2470 HE22 GLN 175 -1.542 -9.054 4.969 1.00 0.00 PRO +ATOM 2471 C GLN 175 3.720 -8.778 7.041 1.00 0.00 PRO +ATOM 2472 O GLN 175 4.332 -9.846 7.027 1.00 0.00 PRO +ATOM 2473 N CYS 176 4.190 -7.680 7.646 1.00 0.00 PRO +ATOM 2474 HN CYS 176 3.621 -6.856 7.609 1.00 0.00 PRO +ATOM 2475 CA CYS 176 5.479 -7.547 8.275 1.00 0.00 PRO +ATOM 2476 HA CYS 176 5.537 -6.521 8.592 1.00 0.00 PRO +ATOM 2477 CB CYS 176 5.586 -8.397 9.561 1.00 0.00 PRO +ATOM 2478 HB1 CYS 176 6.552 -8.165 10.046 1.00 0.00 PRO +ATOM 2479 HB2 CYS 176 5.585 -9.476 9.295 1.00 0.00 PRO +ATOM 2480 SG CYS 176 4.210 -8.088 10.715 1.00 0.00 PRO +ATOM 2481 C CYS 176 6.652 -7.785 7.322 1.00 0.00 PRO +ATOM 2482 O CYS 176 7.490 -8.652 7.595 1.00 0.00 PRO +ATOM 2483 N PRO 177 6.740 -7.063 6.194 1.00 0.00 PRO +ATOM 2484 CD PRO 177 6.008 -5.823 5.950 1.00 0.00 PRO +ATOM 2485 HD1 PRO 177 5.751 -5.258 6.867 1.00 0.00 PRO +ATOM 2486 HD2 PRO 177 5.081 -6.094 5.403 1.00 0.00 PRO +ATOM 2487 CA PRO 177 7.585 -7.371 5.044 1.00 0.00 PRO +ATOM 2488 HA PRO 177 7.165 -8.250 4.585 1.00 0.00 PRO +ATOM 2489 CB PRO 177 7.447 -6.151 4.110 1.00 0.00 PRO +ATOM 2490 HB1 PRO 177 6.664 -6.366 3.346 1.00 0.00 PRO +ATOM 2491 HB2 PRO 177 8.377 -5.873 3.577 1.00 0.00 PRO +ATOM 2492 CG PRO 177 6.930 -5.043 5.027 1.00 0.00 PRO +ATOM 2493 HG1 PRO 177 7.762 -4.608 5.620 1.00 0.00 PRO +ATOM 2494 HG2 PRO 177 6.390 -4.243 4.479 1.00 0.00 PRO +ATOM 2495 C PRO 177 9.024 -7.720 5.353 1.00 0.00 PRO +ATOM 2496 O PRO 177 9.737 -6.962 5.994 1.00 0.00 PRO +ATOM 2497 N ARG 178 9.461 -8.890 4.845 1.00 0.00 PRO +ATOM 2498 HN ARG 178 8.831 -9.456 4.331 1.00 0.00 PRO +ATOM 2499 CA ARG 178 10.797 -9.403 5.040 1.00 0.00 PRO +ATOM 2500 HA ARG 178 11.284 -8.872 5.846 1.00 0.00 PRO +ATOM 2501 CB ARG 178 10.760 -10.924 5.353 1.00 0.00 PRO +ATOM 2502 HB1 ARG 178 11.802 -11.319 5.390 1.00 0.00 PRO +ATOM 2503 HB2 ARG 178 10.226 -11.424 4.516 1.00 0.00 PRO +ATOM 2504 CG ARG 178 10.063 -11.314 6.674 1.00 0.00 PRO +ATOM 2505 HG1 ARG 178 9.097 -10.767 6.756 1.00 0.00 PRO +ATOM 2506 HG2 ARG 178 10.687 -10.993 7.537 1.00 0.00 PRO +ATOM 2507 CD ARG 178 9.753 -12.813 6.792 1.00 0.00 PRO +ATOM 2508 HD1 ARG 178 9.084 -13.119 5.951 1.00 0.00 PRO +ATOM 2509 HD2 ARG 178 9.239 -13.028 7.759 1.00 0.00 PRO +ATOM 2510 NE ARG 178 11.001 -13.610 6.729 1.00 0.00 PRO +ATOM 2511 HE ARG 178 11.901 -13.124 6.621 1.00 0.00 PRO +ATOM 2512 CZ ARG 178 11.090 -14.913 6.789 1.00 0.00 PRO +ATOM 2513 NH1 ARG 178 9.937 -15.683 6.909 1.00 0.00 PRO +ATOM 2514 HH11 ARG 178 9.087 -15.214 6.909 1.00 0.00 PRO +ATOM 2515 HH12 ARG 178 9.995 -16.660 6.926 1.00 0.00 PRO +ATOM 2516 NH2 ARG 178 12.195 -15.526 6.753 1.00 0.00 PRO +ATOM 2517 HH21 ARG 178 13.025 -14.936 6.589 1.00 0.00 PRO +ATOM 2518 HH22 ARG 178 12.233 -16.512 6.826 1.00 0.00 PRO +ATOM 2519 C ARG 178 11.639 -9.206 3.790 1.00 0.00 PRO +ATOM 2520 O ARG 178 12.783 -9.641 3.727 1.00 0.00 PRO +ATOM 2521 N ASP 179 11.095 -8.530 2.754 1.00 0.00 PRO +ATOM 2522 HN ASP 179 10.175 -8.142 2.776 1.00 0.00 PRO +ATOM 2523 CA ASP 179 11.808 -8.300 1.515 1.00 0.00 PRO +ATOM 2524 HA ASP 179 12.562 -9.065 1.384 1.00 0.00 PRO +ATOM 2525 CB ASP 179 10.822 -8.385 0.304 1.00 0.00 PRO +ATOM 2526 HB1 ASP 179 10.307 -9.366 0.324 1.00 0.00 PRO +ATOM 2527 HB2 ASP 179 11.416 -8.328 -0.631 1.00 0.00 PRO +ATOM 2528 CG ASP 179 9.758 -7.298 0.232 1.00 0.00 PRO +ATOM 2529 OD1 ASP 179 9.641 -6.474 1.152 1.00 0.00 PRO +ATOM 2530 OD2 ASP 179 9.013 -7.294 -0.798 1.00 0.00 PRO +ATOM 2531 C ASP 179 12.536 -6.959 1.569 1.00 0.00 PRO +ATOM 2532 O ASP 179 13.334 -6.612 0.697 1.00 0.00 PRO +ATOM 2533 N LEU 180 12.301 -6.174 2.642 1.00 0.00 PRO +ATOM 2534 HN LEU 180 11.593 -6.441 3.287 1.00 0.00 PRO +ATOM 2535 CA LEU 180 12.971 -4.917 2.878 1.00 0.00 PRO +ATOM 2536 HA LEU 180 12.852 -4.329 1.983 1.00 0.00 PRO +ATOM 2537 CB LEU 180 12.373 -4.109 4.051 1.00 0.00 PRO +ATOM 2538 HB1 LEU 180 12.841 -3.100 4.083 1.00 0.00 PRO +ATOM 2539 HB2 LEU 180 12.602 -4.623 5.009 1.00 0.00 PRO +ATOM 2540 CG LEU 180 10.845 -3.921 3.983 1.00 0.00 PRO +ATOM 2541 HG LEU 180 10.368 -4.928 4.060 1.00 0.00 PRO +ATOM 2542 CD1 LEU 180 10.363 -3.094 5.184 1.00 0.00 PRO +ATOM 2543 HD11 LEU 180 10.819 -2.082 5.177 1.00 0.00 PRO +ATOM 2544 HD12 LEU 180 10.638 -3.600 6.133 1.00 0.00 PRO +ATOM 2545 HD13 LEU 180 9.259 -2.977 5.158 1.00 0.00 PRO +ATOM 2546 CD2 LEU 180 10.383 -3.293 2.658 1.00 0.00 PRO +ATOM 2547 HD21 LEU 180 10.708 -3.906 1.791 1.00 0.00 PRO +ATOM 2548 HD22 LEU 180 10.776 -2.261 2.546 1.00 0.00 PRO +ATOM 2549 HD23 LEU 180 9.274 -3.265 2.625 1.00 0.00 PRO +ATOM 2550 C LEU 180 14.456 -5.105 3.088 1.00 0.00 PRO +ATOM 2551 O LEU 180 14.918 -5.931 3.869 1.00 0.00 PRO +ATOM 2552 N LYS 181 15.260 -4.322 2.353 1.00 0.00 PRO +ATOM 2553 HN LYS 181 14.864 -3.676 1.696 1.00 0.00 PRO +ATOM 2554 CA LYS 181 16.691 -4.484 2.379 1.00 0.00 PRO +ATOM 2555 HA LYS 181 16.914 -5.540 2.477 1.00 0.00 PRO +ATOM 2556 CB LYS 181 17.287 -4.028 1.029 1.00 0.00 PRO +ATOM 2557 HB1 LYS 181 18.380 -3.857 1.113 1.00 0.00 PRO +ATOM 2558 HB2 LYS 181 16.813 -3.065 0.758 1.00 0.00 PRO +ATOM 2559 CG LYS 181 17.043 -5.073 -0.071 1.00 0.00 PRO +ATOM 2560 HG1 LYS 181 15.956 -5.318 -0.125 1.00 0.00 PRO +ATOM 2561 HG2 LYS 181 17.567 -6.016 0.213 1.00 0.00 PRO +ATOM 2562 CD LYS 181 17.532 -4.636 -1.462 1.00 0.00 PRO +ATOM 2563 HD1 LYS 181 17.432 -5.530 -2.115 1.00 0.00 PRO +ATOM 2564 HD2 LYS 181 18.613 -4.378 -1.390 1.00 0.00 PRO +ATOM 2565 CE LYS 181 16.725 -3.480 -2.065 1.00 0.00 PRO +ATOM 2566 HE1 LYS 181 16.870 -2.555 -1.466 1.00 0.00 PRO +ATOM 2567 HE2 LYS 181 15.644 -3.741 -2.082 1.00 0.00 PRO +ATOM 2568 NZ LYS 181 17.139 -3.187 -3.454 1.00 0.00 PRO +ATOM 2569 HZ1 LYS 181 17.057 -4.034 -4.052 1.00 0.00 PRO +ATOM 2570 HZ2 LYS 181 18.114 -2.841 -3.462 1.00 0.00 PRO +ATOM 2571 HZ3 LYS 181 16.508 -2.447 -3.857 1.00 0.00 PRO +ATOM 2572 C LYS 181 17.375 -3.842 3.577 1.00 0.00 PRO +ATOM 2573 O LYS 181 18.451 -4.236 3.975 1.00 0.00 PRO +ATOM 2574 N PHE 182 16.692 -2.858 4.209 1.00 0.00 PRO +ATOM 2575 HN PHE 182 15.795 -2.586 3.885 1.00 0.00 PRO +ATOM 2576 CA PHE 182 17.165 -2.247 5.432 1.00 0.00 PRO +ATOM 2577 HA PHE 182 17.895 -2.904 5.885 1.00 0.00 PRO +ATOM 2578 CB PHE 182 17.799 -0.843 5.227 1.00 0.00 PRO +ATOM 2579 HB1 PHE 182 18.050 -0.377 6.203 1.00 0.00 PRO +ATOM 2580 HB2 PHE 182 17.090 -0.176 4.689 1.00 0.00 PRO +ATOM 2581 CG PHE 182 19.073 -0.952 4.431 1.00 0.00 PRO +ATOM 2582 CD1 PHE 182 20.298 -1.195 5.074 1.00 0.00 PRO +ATOM 2583 HD1 PHE 182 20.316 -1.303 6.147 1.00 0.00 PRO +ATOM 2584 CE1 PHE 182 21.483 -1.313 4.337 1.00 0.00 PRO +ATOM 2585 HE1 PHE 182 22.415 -1.523 4.841 1.00 0.00 PRO +ATOM 2586 CZ PHE 182 21.455 -1.170 2.944 1.00 0.00 PRO +ATOM 2587 HZ PHE 182 22.367 -1.267 2.374 1.00 0.00 PRO +ATOM 2588 CD2 PHE 182 19.065 -0.784 3.038 1.00 0.00 PRO +ATOM 2589 HD2 PHE 182 18.130 -0.583 2.540 1.00 0.00 PRO +ATOM 2590 CE2 PHE 182 20.244 -0.900 2.294 1.00 0.00 PRO +ATOM 2591 HE2 PHE 182 20.210 -0.782 1.220 1.00 0.00 PRO +ATOM 2592 C PHE 182 16.041 -2.145 6.430 1.00 0.00 PRO +ATOM 2593 O PHE 182 14.999 -1.519 6.148 1.00 0.00 PRO +ATOM 2594 N ILE 183 16.206 -2.722 7.622 1.00 0.00 PRO +ATOM 2595 HN ILE 183 17.089 -3.168 7.826 1.00 0.00 PRO +ATOM 2596 CA ILE 183 15.229 -2.733 8.697 1.00 0.00 PRO +ATOM 2597 HA ILE 183 14.482 -1.975 8.505 1.00 0.00 PRO +ATOM 2598 CB ILE 183 14.506 -4.075 8.868 1.00 0.00 PRO +ATOM 2599 HB ILE 183 15.256 -4.867 9.101 1.00 0.00 PRO +ATOM 2600 CG2 ILE 183 13.499 -3.980 10.042 1.00 0.00 PRO +ATOM 2601 HG21 ILE 183 12.751 -3.183 9.850 1.00 0.00 PRO +ATOM 2602 HG22 ILE 183 14.003 -3.775 11.007 1.00 0.00 PRO +ATOM 2603 HG23 ILE 183 12.948 -4.936 10.164 1.00 0.00 PRO +ATOM 2604 CG1 ILE 183 13.793 -4.496 7.555 1.00 0.00 PRO +ATOM 2605 HG11 ILE 183 14.516 -4.486 6.709 1.00 0.00 PRO +ATOM 2606 HG12 ILE 183 12.999 -3.752 7.318 1.00 0.00 PRO +ATOM 2607 CD ILE 183 13.182 -5.901 7.607 1.00 0.00 PRO +ATOM 2608 HD1 ILE 183 12.372 -5.958 8.360 1.00 0.00 PRO +ATOM 2609 HD2 ILE 183 13.954 -6.656 7.860 1.00 0.00 PRO +ATOM 2610 HD3 ILE 183 12.742 -6.180 6.624 1.00 0.00 PRO +ATOM 2611 C ILE 183 15.978 -2.353 9.969 1.00 0.00 PRO +ATOM 2612 O ILE 183 17.006 -2.915 10.303 1.00 0.00 PRO +ATOM 2613 N ASN 184 15.492 -1.311 10.691 1.00 0.00 PRO +ATOM 2614 HN ASN 184 14.640 -0.886 10.405 1.00 0.00 PRO +ATOM 2615 CA ASN 184 16.062 -0.839 11.954 1.00 0.00 PRO +ATOM 2616 HA ASN 184 15.477 0.027 12.224 1.00 0.00 PRO +ATOM 2617 CB ASN 184 15.955 -1.853 13.126 1.00 0.00 PRO +ATOM 2618 HB1 ASN 184 16.523 -1.489 14.010 1.00 0.00 PRO +ATOM 2619 HB2 ASN 184 16.367 -2.839 12.831 1.00 0.00 PRO +ATOM 2620 CG ASN 184 14.500 -2.015 13.543 1.00 0.00 PRO +ATOM 2621 OD1 ASN 184 13.546 -1.656 12.863 1.00 0.00 PRO +ATOM 2622 ND2 ASN 184 14.316 -2.535 14.784 1.00 0.00 PRO +ATOM 2623 HD21 ASN 184 13.370 -2.681 15.045 1.00 0.00 PRO +ATOM 2624 HD22 ASN 184 15.116 -2.844 15.290 1.00 0.00 PRO +ATOM 2625 C ASN 184 17.482 -0.300 11.848 1.00 0.00 PRO +ATOM 2626 O ASN 184 18.295 -0.379 12.755 1.00 0.00 PRO +ATOM 2627 N GLY 185 17.794 0.305 10.682 1.00 0.00 PRO +ATOM 2628 HN GLY 185 17.116 0.281 9.962 1.00 0.00 PRO +ATOM 2629 CA GLY 185 19.092 0.898 10.399 1.00 0.00 PRO +ATOM 2630 HA1 GLY 185 19.388 1.517 11.235 1.00 0.00 PRO +ATOM 2631 HA2 GLY 185 19.008 1.446 9.472 1.00 0.00 PRO +ATOM 2632 C GLY 185 20.186 -0.114 10.198 1.00 0.00 PRO +ATOM 2633 O GLY 185 21.354 0.204 10.294 1.00 0.00 PRO +ATOM 2634 N GLN 186 19.787 -1.367 9.909 1.00 0.00 PRO +ATOM 2635 HN GLN 186 18.820 -1.603 9.872 1.00 0.00 PRO +ATOM 2636 CA GLN 186 20.668 -2.472 9.660 1.00 0.00 PRO +ATOM 2637 HA GLN 186 21.686 -2.137 9.552 1.00 0.00 PRO +ATOM 2638 CB GLN 186 20.575 -3.561 10.756 1.00 0.00 PRO +ATOM 2639 HB1 GLN 186 21.366 -4.314 10.552 1.00 0.00 PRO +ATOM 2640 HB2 GLN 186 19.583 -4.068 10.692 1.00 0.00 PRO +ATOM 2641 CG GLN 186 20.765 -3.030 12.193 1.00 0.00 PRO +ATOM 2642 HG1 GLN 186 19.927 -2.369 12.492 1.00 0.00 PRO +ATOM 2643 HG2 GLN 186 21.711 -2.451 12.258 1.00 0.00 PRO +ATOM 2644 CD GLN 186 20.859 -4.188 13.181 1.00 0.00 PRO +ATOM 2645 OE1 GLN 186 21.894 -4.394 13.831 1.00 0.00 PRO +ATOM 2646 NE2 GLN 186 19.784 -4.988 13.300 1.00 0.00 PRO +ATOM 2647 HE21 GLN 186 19.850 -5.767 13.917 1.00 0.00 PRO +ATOM 2648 HE22 GLN 186 18.975 -4.814 12.741 1.00 0.00 PRO +ATOM 2649 C GLN 186 20.203 -3.075 8.363 1.00 0.00 PRO +ATOM 2650 O GLN 186 19.073 -2.804 7.920 1.00 0.00 PRO +ATOM 2651 N ALA 187 21.024 -3.887 7.697 1.00 0.00 PRO +ATOM 2652 HN ALA 187 21.936 -4.111 8.052 1.00 0.00 PRO +ATOM 2653 CA ALA 187 20.595 -4.608 6.520 1.00 0.00 PRO +ATOM 2654 HA ALA 187 19.931 -3.974 5.945 1.00 0.00 PRO +ATOM 2655 CB ALA 187 21.788 -4.967 5.626 1.00 0.00 PRO +ATOM 2656 HB1 ALA 187 22.473 -5.674 6.137 1.00 0.00 PRO +ATOM 2657 HB2 ALA 187 22.349 -4.039 5.385 1.00 0.00 PRO +ATOM 2658 HB3 ALA 187 21.460 -5.416 4.664 1.00 0.00 PRO +ATOM 2659 C ALA 187 19.808 -5.856 6.895 1.00 0.00 PRO +ATOM 2660 O ALA 187 19.640 -6.183 8.062 1.00 0.00 PRO +ATOM 2661 N ASN 188 19.285 -6.558 5.874 1.00 0.00 PRO +ATOM 2662 HN ASN 188 19.369 -6.210 4.945 1.00 0.00 PRO +ATOM 2663 CA ASN 188 18.510 -7.773 6.054 1.00 0.00 PRO +ATOM 2664 HA ASN 188 18.470 -8.026 7.106 1.00 0.00 PRO +ATOM 2665 CB ASN 188 17.089 -7.521 5.493 1.00 0.00 PRO +ATOM 2666 HB1 ASN 188 17.067 -7.612 4.388 1.00 0.00 PRO +ATOM 2667 HB2 ASN 188 16.790 -6.482 5.756 1.00 0.00 PRO +ATOM 2668 CG ASN 188 16.055 -8.447 6.118 1.00 0.00 PRO +ATOM 2669 OD1 ASN 188 16.317 -9.225 7.043 1.00 0.00 PRO +ATOM 2670 ND2 ASN 188 14.805 -8.367 5.613 1.00 0.00 PRO +ATOM 2671 HD21 ASN 188 14.084 -8.907 6.028 1.00 0.00 PRO +ATOM 2672 HD22 ASN 188 14.618 -7.707 4.872 1.00 0.00 PRO +ATOM 2673 C ASN 188 19.221 -8.922 5.348 1.00 0.00 PRO +ATOM 2674 O ASN 188 18.617 -9.934 4.976 1.00 0.00 PRO +ATOM 2675 N VAL 189 20.538 -8.780 5.117 1.00 0.00 PRO +ATOM 2676 HN VAL 189 20.995 -7.976 5.485 1.00 0.00 PRO +ATOM 2677 CA VAL 189 21.397 -9.747 4.444 1.00 0.00 PRO +ATOM 2678 HA VAL 189 20.935 -9.949 3.490 1.00 0.00 PRO +ATOM 2679 CB VAL 189 22.794 -9.178 4.153 1.00 0.00 PRO +ATOM 2680 HB VAL 189 22.659 -8.290 3.491 1.00 0.00 PRO +ATOM 2681 CG1 VAL 189 23.510 -8.710 5.437 1.00 0.00 PRO +ATOM 2682 HG11 VAL 189 23.637 -9.552 6.149 1.00 0.00 PRO +ATOM 2683 HG12 VAL 189 22.945 -7.906 5.947 1.00 0.00 PRO +ATOM 2684 HG13 VAL 189 24.523 -8.326 5.196 1.00 0.00 PRO +ATOM 2685 CG2 VAL 189 23.655 -10.209 3.393 1.00 0.00 PRO +ATOM 2686 HG21 VAL 189 23.090 -10.635 2.538 1.00 0.00 PRO +ATOM 2687 HG22 VAL 189 23.954 -11.046 4.060 1.00 0.00 PRO +ATOM 2688 HG23 VAL 189 24.580 -9.733 3.008 1.00 0.00 PRO +ATOM 2689 C VAL 189 21.457 -11.094 5.144 1.00 0.00 PRO +ATOM 2690 O VAL 189 21.465 -12.152 4.492 1.00 0.00 PRO +ATOM 2691 N GLU 190 21.475 -11.128 6.485 1.00 0.00 PRO +ATOM 2692 HN GLU 190 21.460 -10.272 7.018 1.00 0.00 PRO +ATOM 2693 CA GLU 190 21.429 -12.362 7.237 1.00 0.00 PRO +ATOM 2694 HA GLU 190 22.222 -12.995 6.847 1.00 0.00 PRO +ATOM 2695 CB GLU 190 21.697 -12.162 8.743 1.00 0.00 PRO +ATOM 2696 HB1 GLU 190 21.532 -13.119 9.292 1.00 0.00 PRO +ATOM 2697 HB2 GLU 190 20.960 -11.427 9.133 1.00 0.00 PRO +ATOM 2698 CG GLU 190 23.138 -11.694 9.052 1.00 0.00 PRO +ATOM 2699 HG1 GLU 190 23.382 -10.799 8.441 1.00 0.00 PRO +ATOM 2700 HG2 GLU 190 23.847 -12.504 8.794 1.00 0.00 PRO +ATOM 2701 CD GLU 190 23.310 -11.308 10.517 1.00 0.00 PRO +ATOM 2702 OE1 GLU 190 22.887 -12.108 11.404 1.00 0.00 PRO +ATOM 2703 OE2 GLU 190 23.843 -10.205 10.778 1.00 0.00 PRO +ATOM 2704 C GLU 190 20.146 -13.142 7.058 1.00 0.00 PRO +ATOM 2705 O GLU 190 19.029 -12.669 7.394 1.00 0.00 PRO +ATOM 2706 N GLY 191 20.230 -14.362 6.538 1.00 0.00 PRO +ATOM 2707 HN GLY 191 21.136 -14.684 6.233 1.00 0.00 PRO +ATOM 2708 CA GLY 191 19.077 -15.206 6.271 1.00 0.00 PRO +ATOM 2709 HA1 GLY 191 18.355 -15.095 7.070 1.00 0.00 PRO +ATOM 2710 HA2 GLY 191 19.443 -16.206 6.152 1.00 0.00 PRO +ATOM 2711 C GLY 191 18.374 -14.860 4.999 1.00 0.00 PRO +ATOM 2712 O GLY 191 17.174 -15.126 4.873 1.00 0.00 PRO +ATOM 2713 N TRP 192 19.089 -14.284 4.027 1.00 0.00 PRO +ATOM 2714 HN TRP 192 20.059 -14.074 4.158 1.00 0.00 PRO +ATOM 2715 CA TRP 192 18.528 -13.865 2.765 1.00 0.00 PRO +ATOM 2716 HA TRP 192 17.518 -13.536 2.937 1.00 0.00 PRO +ATOM 2717 CB TRP 192 19.327 -12.666 2.184 1.00 0.00 PRO +ATOM 2718 HB1 TRP 192 20.369 -12.999 1.981 1.00 0.00 PRO +ATOM 2719 HB2 TRP 192 19.383 -11.896 2.985 1.00 0.00 PRO +ATOM 2720 CG TRP 192 18.760 -12.020 0.956 1.00 0.00 PRO +ATOM 2721 CD1 TRP 192 19.053 -12.325 -0.350 1.00 0.00 PRO +ATOM 2722 HD1 TRP 192 19.708 -13.134 -0.649 1.00 0.00 PRO +ATOM 2723 NE1 TRP 192 18.346 -11.491 -1.182 1.00 0.00 PRO +ATOM 2724 HE1 TRP 192 18.348 -11.506 -2.173 1.00 0.00 PRO +ATOM 2725 CE2 TRP 192 17.583 -10.637 -0.439 1.00 0.00 PRO +ATOM 2726 CD2 TRP 192 17.818 -10.936 0.925 1.00 0.00 PRO +ATOM 2727 CE3 TRP 192 17.173 -10.188 1.911 1.00 0.00 PRO +ATOM 2728 HE3 TRP 192 17.327 -10.403 2.957 1.00 0.00 PRO +ATOM 2729 CZ3 TRP 192 16.284 -9.182 1.526 1.00 0.00 PRO +ATOM 2730 HZ3 TRP 192 15.738 -8.624 2.278 1.00 0.00 PRO +ATOM 2731 CZ2 TRP 192 16.709 -9.632 -0.818 1.00 0.00 PRO +ATOM 2732 HZ2 TRP 192 16.513 -9.429 -1.857 1.00 0.00 PRO +ATOM 2733 CH2 TRP 192 16.051 -8.911 0.181 1.00 0.00 PRO +ATOM 2734 HH2 TRP 192 15.333 -8.145 -0.086 1.00 0.00 PRO +ATOM 2735 C TRP 192 18.466 -15.012 1.761 1.00 0.00 PRO +ATOM 2736 O TRP 192 19.457 -15.606 1.388 1.00 0.00 PRO +ATOM 2737 N GLU 193 17.234 -15.292 1.290 1.00 0.00 PRO +ATOM 2738 HN GLU 193 16.445 -14.794 1.646 1.00 0.00 PRO +ATOM 2739 CA GLU 193 16.966 -16.270 0.263 1.00 0.00 PRO +ATOM 2740 HA GLU 193 17.856 -16.843 0.033 1.00 0.00 PRO +ATOM 2741 CB GLU 193 15.882 -17.279 0.712 1.00 0.00 PRO +ATOM 2742 HB1 GLU 193 15.521 -17.869 -0.161 1.00 0.00 PRO +ATOM 2743 HB2 GLU 193 15.017 -16.697 1.108 1.00 0.00 PRO +ATOM 2744 CG GLU 193 16.354 -18.268 1.808 1.00 0.00 PRO +ATOM 2745 HG1 GLU 193 15.480 -18.856 2.151 1.00 0.00 PRO +ATOM 2746 HG2 GLU 193 16.769 -17.702 2.669 1.00 0.00 PRO +ATOM 2747 CD GLU 193 17.412 -19.280 1.364 1.00 0.00 PRO +ATOM 2748 OE1 GLU 193 17.203 -19.896 0.256 1.00 0.00 PRO +ATOM 2749 OE2 GLU 193 18.354 -19.526 2.127 1.00 0.00 PRO +ATOM 2750 C GLU 193 16.490 -15.525 -0.956 1.00 0.00 PRO +ATOM 2751 O GLU 193 15.386 -14.903 -0.878 1.00 0.00 PRO +ATOM 2752 N PRO 194 17.174 -15.459 -2.080 1.00 0.00 PRO +ATOM 2753 CD PRO 194 18.556 -15.941 -2.218 1.00 0.00 PRO +ATOM 2754 HD1 PRO 194 18.516 -17.046 -2.325 1.00 0.00 PRO +ATOM 2755 HD2 PRO 194 19.183 -15.650 -1.349 1.00 0.00 PRO +ATOM 2756 CA PRO 194 16.655 -14.980 -3.351 1.00 0.00 PRO +ATOM 2757 HA PRO 194 16.490 -13.915 -3.230 1.00 0.00 PRO +ATOM 2758 CB PRO 194 17.768 -15.277 -4.362 1.00 0.00 PRO +ATOM 2759 HB1 PRO 194 17.821 -14.516 -5.163 1.00 0.00 PRO +ATOM 2760 HB2 PRO 194 17.627 -16.280 -4.824 1.00 0.00 PRO +ATOM 2761 CG PRO 194 19.039 -15.299 -3.512 1.00 0.00 PRO +ATOM 2762 HG1 PRO 194 19.864 -15.857 -4.003 1.00 0.00 PRO +ATOM 2763 HG2 PRO 194 19.359 -14.252 -3.314 1.00 0.00 PRO +ATOM 2764 C PRO 194 15.311 -15.557 -3.769 1.00 0.00 PRO +ATOM 2765 O PRO 194 15.071 -16.771 -3.620 1.00 0.00 PRO +ATOM 2766 N SER 195 14.407 -14.724 -4.289 1.00 0.00 PRO +ATOM 2767 HN SER 195 14.575 -13.732 -4.337 1.00 0.00 PRO +ATOM 2768 CA SER 195 13.171 -15.168 -4.902 1.00 0.00 PRO +ATOM 2769 HA SER 195 12.694 -15.832 -4.197 1.00 0.00 PRO +ATOM 2770 CB SER 195 12.181 -14.023 -5.196 1.00 0.00 PRO +ATOM 2771 HB1 SER 195 11.272 -14.396 -5.718 1.00 0.00 PRO +ATOM 2772 HB2 SER 195 12.679 -13.260 -5.837 1.00 0.00 PRO +ATOM 2773 OG SER 195 11.767 -13.427 -3.969 1.00 0.00 PRO +ATOM 2774 HG1 SER 195 11.524 -12.512 -4.178 1.00 0.00 PRO +ATOM 2775 C SER 195 13.407 -15.962 -6.171 1.00 0.00 PRO +ATOM 2776 O SER 195 14.306 -15.704 -6.951 1.00 0.00 PRO +ATOM 2777 N SER 196 12.566 -16.991 -6.399 1.00 0.00 PRO +ATOM 2778 HN SER 196 11.842 -17.215 -5.763 1.00 0.00 PRO +ATOM 2779 CA SER 196 12.808 -17.938 -7.477 1.00 0.00 PRO +ATOM 2780 HA SER 196 13.871 -18.031 -7.659 1.00 0.00 PRO +ATOM 2781 CB SER 196 12.239 -19.331 -7.107 1.00 0.00 PRO +ATOM 2782 HB1 SER 196 12.473 -20.073 -7.902 1.00 0.00 PRO +ATOM 2783 HB2 SER 196 11.130 -19.274 -7.008 1.00 0.00 PRO +ATOM 2784 OG SER 196 12.786 -19.779 -5.864 1.00 0.00 PRO +ATOM 2785 HG1 SER 196 13.743 -19.878 -6.000 1.00 0.00 PRO +ATOM 2786 C SER 196 12.151 -17.509 -8.772 1.00 0.00 PRO +ATOM 2787 O SER 196 12.470 -18.017 -9.843 1.00 0.00 PRO +ATOM 2788 N ASN 197 11.218 -16.539 -8.689 1.00 0.00 PRO +ATOM 2789 HN ASN 197 10.964 -16.143 -7.811 1.00 0.00 PRO +ATOM 2790 CA ASN 197 10.451 -16.045 -9.816 1.00 0.00 PRO +ATOM 2791 HA ASN 197 10.781 -16.525 -10.726 1.00 0.00 PRO +ATOM 2792 CB ASN 197 8.937 -16.342 -9.599 1.00 0.00 PRO +ATOM 2793 HB1 ASN 197 8.835 -17.435 -9.453 1.00 0.00 PRO +ATOM 2794 HB2 ASN 197 8.371 -16.044 -10.509 1.00 0.00 PRO +ATOM 2795 CG ASN 197 8.300 -15.674 -8.380 1.00 0.00 PRO +ATOM 2796 OD1 ASN 197 8.994 -15.233 -7.434 1.00 0.00 PRO +ATOM 2797 ND2 ASN 197 6.958 -15.594 -8.368 1.00 0.00 PRO +ATOM 2798 HD21 ASN 197 6.480 -15.190 -7.594 1.00 0.00 PRO +ATOM 2799 HD22 ASN 197 6.438 -15.893 -9.183 1.00 0.00 PRO +ATOM 2800 C ASN 197 10.655 -14.560 -10.025 1.00 0.00 PRO +ATOM 2801 O ASN 197 10.017 -13.975 -10.904 1.00 0.00 PRO +ATOM 2802 N ASN 198 11.534 -13.913 -9.253 1.00 0.00 PRO +ATOM 2803 HN ASN 198 12.096 -14.403 -8.589 1.00 0.00 PRO +ATOM 2804 CA ASN 198 11.729 -12.486 -9.332 1.00 0.00 PRO +ATOM 2805 HA ASN 198 11.456 -12.142 -10.323 1.00 0.00 PRO +ATOM 2806 CB ASN 198 10.861 -11.752 -8.267 1.00 0.00 PRO +ATOM 2807 HB1 ASN 198 11.207 -12.032 -7.255 1.00 0.00 PRO +ATOM 2808 HB2 ASN 198 9.820 -12.115 -8.378 1.00 0.00 PRO +ATOM 2809 CG ASN 198 10.879 -10.223 -8.374 1.00 0.00 PRO +ATOM 2810 OD1 ASN 198 11.836 -9.613 -8.869 1.00 0.00 PRO +ATOM 2811 ND2 ASN 198 9.792 -9.575 -7.904 1.00 0.00 PRO +ATOM 2812 HD21 ASN 198 9.734 -8.587 -8.054 1.00 0.00 PRO +ATOM 2813 HD22 ASN 198 8.980 -10.092 -7.647 1.00 0.00 PRO +ATOM 2814 C ASN 198 13.218 -12.249 -9.162 1.00 0.00 PRO +ATOM 2815 O ASN 198 13.882 -12.800 -8.305 1.00 0.00 PRO +ATOM 2816 N ALA 199 13.770 -11.395 -10.044 1.00 0.00 PRO +ATOM 2817 HN ALA 199 13.174 -10.921 -10.680 1.00 0.00 PRO +ATOM 2818 CA ALA 199 15.187 -11.190 -10.166 1.00 0.00 PRO +ATOM 2819 HA ALA 199 15.724 -12.052 -9.793 1.00 0.00 PRO +ATOM 2820 CB ALA 199 15.492 -10.979 -11.658 1.00 0.00 PRO +ATOM 2821 HB1 ALA 199 14.936 -10.098 -12.042 1.00 0.00 PRO +ATOM 2822 HB2 ALA 199 15.170 -11.874 -12.234 1.00 0.00 PRO +ATOM 2823 HB3 ALA 199 16.575 -10.822 -11.836 1.00 0.00 PRO +ATOM 2824 C ALA 199 15.663 -9.976 -9.392 1.00 0.00 PRO +ATOM 2825 O ALA 199 16.827 -9.607 -9.475 1.00 0.00 PRO +ATOM 2826 N ASN 200 14.764 -9.331 -8.617 1.00 0.00 PRO +ATOM 2827 HN ASN 200 13.801 -9.617 -8.626 1.00 0.00 PRO +ATOM 2828 CA ASN 200 15.096 -8.152 -7.846 1.00 0.00 PRO +ATOM 2829 HA ASN 200 16.166 -8.008 -7.825 1.00 0.00 PRO +ATOM 2830 CB ASN 200 14.398 -6.908 -8.461 1.00 0.00 PRO +ATOM 2831 HB1 ASN 200 14.546 -6.009 -7.827 1.00 0.00 PRO +ATOM 2832 HB2 ASN 200 13.306 -7.093 -8.566 1.00 0.00 PRO +ATOM 2833 CG ASN 200 14.961 -6.607 -9.844 1.00 0.00 PRO +ATOM 2834 OD1 ASN 200 14.279 -6.636 -10.874 1.00 0.00 PRO +ATOM 2835 ND2 ASN 200 16.269 -6.292 -9.901 1.00 0.00 PRO +ATOM 2836 HD21 ASN 200 16.602 -6.048 -10.818 1.00 0.00 PRO +ATOM 2837 HD22 ASN 200 16.846 -6.439 -9.110 1.00 0.00 PRO +ATOM 2838 C ASN 200 14.708 -8.270 -6.378 1.00 0.00 PRO +ATOM 2839 O ASN 200 14.936 -7.349 -5.605 1.00 0.00 PRO +ATOM 2840 N THR 201 14.165 -9.429 -5.943 1.00 0.00 PRO +ATOM 2841 HN THR 201 14.055 -10.220 -6.534 1.00 0.00 PRO +ATOM 2842 CA THR 201 13.654 -9.585 -4.582 1.00 0.00 PRO +ATOM 2843 HA THR 201 14.017 -8.777 -3.965 1.00 0.00 PRO +ATOM 2844 CB THR 201 12.123 -9.605 -4.441 1.00 0.00 PRO +ATOM 2845 HB THR 201 11.833 -9.669 -3.363 1.00 0.00 PRO +ATOM 2846 OG1 THR 201 11.498 -10.686 -5.127 1.00 0.00 PRO +ATOM 2847 HG1 THR 201 10.556 -10.533 -5.010 1.00 0.00 PRO +ATOM 2848 CG2 THR 201 11.548 -8.302 -4.999 1.00 0.00 PRO +ATOM 2849 HG21 THR 201 11.798 -8.160 -6.071 1.00 0.00 PRO +ATOM 2850 HG22 THR 201 11.956 -7.447 -4.424 1.00 0.00 PRO +ATOM 2851 HG23 THR 201 10.443 -8.265 -4.900 1.00 0.00 PRO +ATOM 2852 C THR 201 14.191 -10.848 -3.963 1.00 0.00 PRO +ATOM 2853 O THR 201 14.619 -11.788 -4.626 1.00 0.00 PRO +ATOM 2854 N GLY 202 14.173 -10.877 -2.624 1.00 0.00 PRO +ATOM 2855 HN GLY 202 13.827 -10.113 -2.081 1.00 0.00 PRO +ATOM 2856 CA GLY 202 14.434 -12.060 -1.845 1.00 0.00 PRO +ATOM 2857 HA1 GLY 202 15.492 -12.130 -1.641 1.00 0.00 PRO +ATOM 2858 HA2 GLY 202 14.003 -12.927 -2.323 1.00 0.00 PRO +ATOM 2859 C GLY 202 13.715 -11.874 -0.559 1.00 0.00 PRO +ATOM 2860 O GLY 202 13.003 -10.882 -0.377 1.00 0.00 PRO +ATOM 2861 N ILE 203 13.886 -12.815 0.364 1.00 0.00 PRO +ATOM 2862 HN ILE 203 14.468 -13.606 0.155 1.00 0.00 PRO +ATOM 2863 CA ILE 203 13.266 -12.786 1.670 1.00 0.00 PRO +ATOM 2864 HA ILE 203 12.772 -11.838 1.837 1.00 0.00 PRO +ATOM 2865 CB ILE 203 12.252 -13.920 1.841 1.00 0.00 PRO +ATOM 2866 HB ILE 203 12.745 -14.883 1.571 1.00 0.00 PRO +ATOM 2867 CG2 ILE 203 11.773 -14.015 3.308 1.00 0.00 PRO +ATOM 2868 HG21 ILE 203 11.313 -13.060 3.624 1.00 0.00 PRO +ATOM 2869 HG22 ILE 203 12.609 -14.254 3.997 1.00 0.00 PRO +ATOM 2870 HG23 ILE 203 11.016 -14.818 3.428 1.00 0.00 PRO +ATOM 2871 CG1 ILE 203 11.066 -13.706 0.864 1.00 0.00 PRO +ATOM 2872 HG11 ILE 203 11.456 -13.612 -0.174 1.00 0.00 PRO +ATOM 2873 HG12 ILE 203 10.577 -12.740 1.118 1.00 0.00 PRO +ATOM 2874 CD ILE 203 10.031 -14.839 0.881 1.00 0.00 PRO +ATOM 2875 HD1 ILE 203 9.524 -14.905 1.868 1.00 0.00 PRO +ATOM 2876 HD2 ILE 203 10.521 -15.815 0.676 1.00 0.00 PRO +ATOM 2877 HD3 ILE 203 9.249 -14.669 0.114 1.00 0.00 PRO +ATOM 2878 C ILE 203 14.390 -12.894 2.673 1.00 0.00 PRO +ATOM 2879 O ILE 203 15.137 -13.860 2.675 1.00 0.00 PRO +ATOM 2880 N GLY 204 14.547 -11.858 3.531 1.00 0.00 PRO +ATOM 2881 HN GLY 204 13.947 -11.056 3.469 1.00 0.00 PRO +ATOM 2882 CA GLY 204 15.533 -11.851 4.597 1.00 0.00 PRO +ATOM 2883 HA1 GLY 204 15.756 -10.816 4.808 1.00 0.00 PRO +ATOM 2884 HA2 GLY 204 16.417 -12.384 4.280 1.00 0.00 PRO +ATOM 2885 C GLY 204 15.079 -12.484 5.880 1.00 0.00 PRO +ATOM 2886 O GLY 204 14.002 -13.121 5.987 1.00 0.00 PRO +ATOM 2887 N GLY 205 15.885 -12.331 6.930 1.00 0.00 PRO +ATOM 2888 HN GLY 205 16.737 -11.798 6.826 1.00 0.00 PRO +ATOM 2889 CA GLY 205 15.645 -12.927 8.237 1.00 0.00 PRO +ATOM 2890 HA1 GLY 205 16.598 -12.994 8.736 1.00 0.00 PRO +ATOM 2891 HA2 GLY 205 15.175 -13.891 8.102 1.00 0.00 PRO +ATOM 2892 C GLY 205 14.752 -12.111 9.124 1.00 0.00 PRO +ATOM 2893 O GLY 205 14.113 -12.654 10.035 1.00 0.00 PRO +ATOM 2894 N HSD 206 14.690 -10.793 8.912 1.00 0.00 PRO +ATOM 2895 HN HSD 206 15.223 -10.376 8.165 1.00 0.00 PRO +ATOM 2896 CA HSD 206 13.889 -9.879 9.699 1.00 0.00 PRO +ATOM 2897 HA HSD 206 13.482 -10.385 10.566 1.00 0.00 PRO +ATOM 2898 CB HSD 206 14.705 -8.647 10.160 1.00 0.00 PRO +ATOM 2899 HB1 HSD 206 14.072 -7.969 10.772 1.00 0.00 PRO +ATOM 2900 HB2 HSD 206 15.048 -8.090 9.259 1.00 0.00 PRO +ATOM 2901 ND1 HSD 206 17.103 -8.318 10.922 1.00 0.00 PRO +ATOM 2902 HD1 HSD 206 17.304 -7.536 10.329 1.00 0.00 PRO +ATOM 2903 CG HSD 206 15.917 -9.009 10.973 1.00 0.00 PRO +ATOM 2904 CE1 HSD 206 17.977 -8.961 11.738 1.00 0.00 PRO +ATOM 2905 HE1 HSD 206 18.987 -8.613 11.936 1.00 0.00 PRO +ATOM 2906 NE2 HSD 206 17.437 -10.028 12.286 1.00 0.00 PRO +ATOM 2907 CD2 HSD 206 16.130 -10.053 11.829 1.00 0.00 PRO +ATOM 2908 HD2 HSD 206 15.442 -10.814 12.171 1.00 0.00 PRO +ATOM 2909 C HSD 206 12.728 -9.371 8.880 1.00 0.00 PRO +ATOM 2910 O HSD 206 12.794 -9.326 7.650 1.00 0.00 PRO +ATOM 2911 N GLY 207 11.642 -8.964 9.559 1.00 0.00 PRO +ATOM 2912 HN GLY 207 11.620 -9.059 10.556 1.00 0.00 PRO +ATOM 2913 CA GLY 207 10.499 -8.286 8.955 1.00 0.00 PRO +ATOM 2914 HA1 GLY 207 9.638 -8.929 9.047 1.00 0.00 PRO +ATOM 2915 HA2 GLY 207 10.725 -8.013 7.937 1.00 0.00 PRO +ATOM 2916 C GLY 207 10.220 -7.014 9.708 1.00 0.00 PRO +ATOM 2917 O GLY 207 10.867 -6.704 10.691 1.00 0.00 PRO +ATOM 2918 N SER 208 9.218 -6.236 9.242 1.00 0.00 PRO +ATOM 2919 HN SER 208 8.705 -6.508 8.433 1.00 0.00 PRO +ATOM 2920 CA SER 208 8.900 -4.954 9.864 1.00 0.00 PRO +ATOM 2921 HA SER 208 9.293 -4.918 10.871 1.00 0.00 PRO +ATOM 2922 CB SER 208 9.524 -3.801 9.028 1.00 0.00 PRO +ATOM 2923 HB1 SER 208 9.031 -3.751 8.030 1.00 0.00 PRO +ATOM 2924 HB2 SER 208 10.593 -4.058 8.857 1.00 0.00 PRO +ATOM 2925 OG SER 208 9.476 -2.518 9.664 1.00 0.00 PRO +ATOM 2926 HG1 SER 208 9.386 -1.890 8.923 1.00 0.00 PRO +ATOM 2927 C SER 208 7.398 -4.799 9.980 1.00 0.00 PRO +ATOM 2928 O SER 208 6.710 -4.471 8.998 1.00 0.00 PRO +ATOM 2929 N CYS 209 6.827 -5.026 11.169 1.00 0.00 PRO +ATOM 2930 HN CYS 209 7.410 -5.186 11.972 1.00 0.00 PRO +ATOM 2931 CA CYS 209 5.396 -4.981 11.430 1.00 0.00 PRO +ATOM 2932 HA CYS 209 4.848 -5.295 10.552 1.00 0.00 PRO +ATOM 2933 CB CYS 209 5.000 -5.848 12.665 1.00 0.00 PRO +ATOM 2934 HB1 CYS 209 3.953 -5.630 12.961 1.00 0.00 PRO +ATOM 2935 HB2 CYS 209 5.640 -5.550 13.525 1.00 0.00 PRO +ATOM 2936 SG CYS 209 5.118 -7.653 12.472 1.00 0.00 PRO +ATOM 2937 C CYS 209 4.958 -3.569 11.789 1.00 0.00 PRO +ATOM 2938 O CYS 209 5.651 -2.871 12.510 1.00 0.00 PRO +ATOM 2939 N CYS 210 3.756 -3.153 11.320 1.00 0.00 PRO +ATOM 2940 HN CYS 210 3.260 -3.659 10.614 1.00 0.00 PRO +ATOM 2941 CA CYS 210 3.012 -2.079 11.955 1.00 0.00 PRO +ATOM 2942 HA CYS 210 3.004 -2.286 13.017 1.00 0.00 PRO +ATOM 2943 CB CYS 210 3.571 -0.640 11.761 1.00 0.00 PRO +ATOM 2944 HB1 CYS 210 4.605 -0.640 12.153 1.00 0.00 PRO +ATOM 2945 HB2 CYS 210 3.001 0.069 12.395 1.00 0.00 PRO +ATOM 2946 SG CYS 210 3.588 -0.011 10.060 1.00 0.00 PRO +ATOM 2947 C CYS 210 1.568 -2.131 11.517 1.00 0.00 PRO +ATOM 2948 O CYS 210 1.216 -2.835 10.568 1.00 0.00 PRO +ATOM 2949 N SER 211 0.682 -1.407 12.226 1.00 0.00 PRO +ATOM 2950 HN SER 211 1.010 -0.849 12.989 1.00 0.00 PRO +ATOM 2951 CA SER 211 -0.725 -1.256 11.863 1.00 0.00 PRO +ATOM 2952 HA SER 211 -1.147 -2.249 11.770 1.00 0.00 PRO +ATOM 2953 CB SER 211 -1.540 -0.460 12.911 1.00 0.00 PRO +ATOM 2954 HB1 SER 211 -2.606 -0.385 12.598 1.00 0.00 PRO +ATOM 2955 HB2 SER 211 -1.119 0.569 12.994 1.00 0.00 PRO +ATOM 2956 OG SER 211 -1.484 -1.095 14.191 1.00 0.00 PRO +ATOM 2957 HG1 SER 211 -0.541 -1.152 14.388 1.00 0.00 PRO +ATOM 2958 C SER 211 -0.935 -0.561 10.529 1.00 0.00 PRO +ATOM 2959 O SER 211 -0.180 0.337 10.157 1.00 0.00 PRO +ATOM 2960 N GLU 212 -1.998 -0.954 9.805 1.00 0.00 PRO +ATOM 2961 HN GLU 212 -2.642 -1.643 10.135 1.00 0.00 PRO +ATOM 2962 CA GLU 212 -2.195 -0.559 8.429 1.00 0.00 PRO +ATOM 2963 HA GLU 212 -1.694 0.381 8.239 1.00 0.00 PRO +ATOM 2964 CB GLU 212 -1.594 -1.626 7.490 1.00 0.00 PRO +ATOM 2965 HB1 GLU 212 -1.920 -2.635 7.828 1.00 0.00 PRO +ATOM 2966 HB2 GLU 212 -0.488 -1.585 7.620 1.00 0.00 PRO +ATOM 2967 CG GLU 212 -1.933 -1.521 5.986 1.00 0.00 PRO +ATOM 2968 HG1 GLU 212 -1.799 -0.482 5.617 1.00 0.00 PRO +ATOM 2969 HG2 GLU 212 -2.972 -1.842 5.765 1.00 0.00 PRO +ATOM 2970 CD GLU 212 -0.985 -2.427 5.206 1.00 0.00 PRO +ATOM 2971 OE1 GLU 212 -0.867 -3.638 5.565 1.00 0.00 PRO +ATOM 2972 OE2 GLU 212 -0.284 -1.900 4.308 1.00 0.00 PRO +ATOM 2973 C GLU 212 -3.657 -0.323 8.130 1.00 0.00 PRO +ATOM 2974 O GLU 212 -4.547 -1.002 8.649 1.00 0.00 PRO +ATOM 2975 N MET 213 -3.948 0.707 7.323 1.00 0.00 PRO +ATOM 2976 HN MET 213 -3.192 1.232 6.912 1.00 0.00 PRO +ATOM 2977 CA MET 213 -5.281 1.007 6.867 1.00 0.00 PRO +ATOM 2978 HA MET 213 -5.977 0.239 7.178 1.00 0.00 PRO +ATOM 2979 CB MET 213 -5.725 2.410 7.371 1.00 0.00 PRO +ATOM 2980 HB1 MET 213 -5.047 3.179 6.947 1.00 0.00 PRO +ATOM 2981 HB2 MET 213 -5.575 2.466 8.466 1.00 0.00 PRO +ATOM 2982 CG MET 213 -7.176 2.784 7.013 1.00 0.00 PRO +ATOM 2983 HG1 MET 213 -7.275 2.825 5.906 1.00 0.00 PRO +ATOM 2984 HG2 MET 213 -7.364 3.813 7.390 1.00 0.00 PRO +ATOM 2985 SD MET 213 -8.412 1.652 7.713 1.00 0.00 PRO +ATOM 2986 CE MET 213 -9.222 1.209 6.160 1.00 0.00 PRO +ATOM 2987 HE1 MET 213 -8.539 0.605 5.526 1.00 0.00 PRO +ATOM 2988 HE2 MET 213 -9.520 2.108 5.582 1.00 0.00 PRO +ATOM 2989 HE3 MET 213 -10.127 0.590 6.340 1.00 0.00 PRO +ATOM 2990 C MET 213 -5.272 1.052 5.356 1.00 0.00 PRO +ATOM 2991 O MET 213 -4.835 2.042 4.770 1.00 0.00 PRO +ATOM 2992 N ASP 214 -5.834 0.028 4.688 1.00 0.00 PRO +ATOM 2993 HN ASP 214 -6.181 -0.801 5.135 1.00 0.00 PRO +ATOM 2994 CA ASP 214 -6.030 0.063 3.257 1.00 0.00 PRO +ATOM 2995 HA ASP 214 -5.225 0.619 2.798 1.00 0.00 PRO +ATOM 2996 CB ASP 214 -6.103 -1.342 2.629 1.00 0.00 PRO +ATOM 2997 HB1 ASP 214 -6.657 -1.332 1.664 1.00 0.00 PRO +ATOM 2998 HB2 ASP 214 -6.578 -2.073 3.305 1.00 0.00 PRO +ATOM 2999 CG ASP 214 -4.709 -1.801 2.267 1.00 0.00 PRO +ATOM 3000 OD1 ASP 214 -4.076 -1.059 1.457 1.00 0.00 PRO +ATOM 3001 OD2 ASP 214 -4.306 -2.894 2.691 1.00 0.00 PRO +ATOM 3002 C ASP 214 -7.294 0.814 2.953 1.00 0.00 PRO +ATOM 3003 O ASP 214 -8.418 0.309 3.045 1.00 0.00 PRO +ATOM 3004 N ILE 215 -7.151 2.095 2.585 1.00 0.00 PRO +ATOM 3005 HN ILE 215 -6.225 2.472 2.558 1.00 0.00 PRO +ATOM 3006 CA ILE 215 -8.230 2.892 2.054 1.00 0.00 PRO +ATOM 3007 HA ILE 215 -9.058 2.848 2.751 1.00 0.00 PRO +ATOM 3008 CB ILE 215 -7.800 4.342 1.818 1.00 0.00 PRO +ATOM 3009 HB ILE 215 -6.980 4.350 1.062 1.00 0.00 PRO +ATOM 3010 CG2 ILE 215 -8.967 5.168 1.234 1.00 0.00 PRO +ATOM 3011 HG21 ILE 215 -9.858 5.075 1.886 1.00 0.00 PRO +ATOM 3012 HG22 ILE 215 -9.235 4.815 0.216 1.00 0.00 PRO +ATOM 3013 HG23 ILE 215 -8.673 6.235 1.159 1.00 0.00 PRO +ATOM 3014 CG1 ILE 215 -7.209 5.003 3.086 1.00 0.00 PRO +ATOM 3015 HG11 ILE 215 -6.762 5.973 2.772 1.00 0.00 PRO +ATOM 3016 HG12 ILE 215 -6.374 4.383 3.481 1.00 0.00 PRO +ATOM 3017 CD ILE 215 -8.229 5.256 4.199 1.00 0.00 PRO +ATOM 3018 HD1 ILE 215 -8.738 4.307 4.477 1.00 0.00 PRO +ATOM 3019 HD2 ILE 215 -8.995 5.991 3.879 1.00 0.00 PRO +ATOM 3020 HD3 ILE 215 -7.715 5.654 5.101 1.00 0.00 PRO +ATOM 3021 C ILE 215 -8.732 2.316 0.735 1.00 0.00 PRO +ATOM 3022 O ILE 215 -9.911 2.244 0.457 1.00 0.00 PRO +ATOM 3023 N TRP 216 -7.753 1.940 -0.114 1.00 0.00 PRO +ATOM 3024 HN TRP 216 -6.792 1.973 0.146 1.00 0.00 PRO +ATOM 3025 CA TRP 216 -8.029 1.563 -1.466 1.00 0.00 PRO +ATOM 3026 HA TRP 216 -9.008 1.116 -1.545 1.00 0.00 PRO +ATOM 3027 CB TRP 216 -7.870 2.833 -2.343 1.00 0.00 PRO +ATOM 3028 HB1 TRP 216 -6.810 3.166 -2.294 1.00 0.00 PRO +ATOM 3029 HB2 TRP 216 -8.472 3.624 -1.850 1.00 0.00 PRO +ATOM 3030 CG TRP 216 -8.296 2.750 -3.772 1.00 0.00 PRO +ATOM 3031 CD1 TRP 216 -7.503 2.867 -4.884 1.00 0.00 PRO +ATOM 3032 HD1 TRP 216 -6.418 2.873 -4.855 1.00 0.00 PRO +ATOM 3033 NE1 TRP 216 -8.292 2.871 -6.012 1.00 0.00 PRO +ATOM 3034 HE1 TRP 216 -7.982 2.756 -6.929 1.00 0.00 PRO +ATOM 3035 CE2 TRP 216 -9.602 2.719 -5.649 1.00 0.00 PRO +ATOM 3036 CD2 TRP 216 -9.647 2.629 -4.240 1.00 0.00 PRO +ATOM 3037 CE3 TRP 216 -10.871 2.450 -3.597 1.00 0.00 PRO +ATOM 3038 HE3 TRP 216 -10.928 2.327 -2.526 1.00 0.00 PRO +ATOM 3039 CZ3 TRP 216 -12.021 2.340 -4.379 1.00 0.00 PRO +ATOM 3040 HZ3 TRP 216 -12.966 2.115 -3.900 1.00 0.00 PRO +ATOM 3041 CZ2 TRP 216 -10.749 2.633 -6.424 1.00 0.00 PRO +ATOM 3042 HZ2 TRP 216 -10.714 2.659 -7.500 1.00 0.00 PRO +ATOM 3043 CH2 TRP 216 -11.964 2.429 -5.766 1.00 0.00 PRO +ATOM 3044 HH2 TRP 216 -12.870 2.292 -6.340 1.00 0.00 PRO +ATOM 3045 C TRP 216 -7.000 0.549 -1.900 1.00 0.00 PRO +ATOM 3046 O TRP 216 -5.812 0.775 -1.814 1.00 0.00 PRO +ATOM 3047 N GLU 217 -7.501 -0.567 -2.444 1.00 0.00 PRO +ATOM 3048 HN GLU 217 -8.475 -0.750 -2.429 1.00 0.00 PRO +ATOM 3049 CA GLU 217 -6.718 -1.494 -3.211 1.00 0.00 PRO +ATOM 3050 HA GLU 217 -5.806 -1.048 -3.583 1.00 0.00 PRO +ATOM 3051 CB GLU 217 -6.458 -2.797 -2.438 1.00 0.00 PRO +ATOM 3052 HB1 GLU 217 -6.037 -3.561 -3.132 1.00 0.00 PRO +ATOM 3053 HB2 GLU 217 -7.432 -3.194 -2.058 1.00 0.00 PRO +ATOM 3054 CG GLU 217 -5.522 -2.613 -1.242 1.00 0.00 PRO +ATOM 3055 HG1 GLU 217 -5.964 -1.933 -0.475 1.00 0.00 PRO +ATOM 3056 HG2 GLU 217 -4.545 -2.167 -1.540 1.00 0.00 PRO +ATOM 3057 CD GLU 217 -5.287 -3.942 -0.615 1.00 0.00 PRO +ATOM 3058 OE1 GLU 217 -6.152 -4.588 0.065 1.00 0.00 PRO +ATOM 3059 OE2 GLU 217 -4.075 -4.497 -0.867 1.00 0.00 PRO +ATOM 3060 HE2 GLU 217 -3.925 -5.179 -0.215 1.00 0.00 PRO +ATOM 3061 C GLU 217 -7.631 -1.799 -4.354 1.00 0.00 PRO +ATOM 3062 O GLU 217 -8.729 -2.284 -4.139 1.00 0.00 PRO +ATOM 3063 N ALA 218 -7.237 -1.477 -5.595 1.00 0.00 PRO +ATOM 3064 HN ALA 218 -6.336 -1.096 -5.788 1.00 0.00 PRO +ATOM 3065 CA ALA 218 -8.169 -1.672 -6.667 1.00 0.00 PRO +ATOM 3066 HA ALA 218 -8.663 -2.628 -6.529 1.00 0.00 PRO +ATOM 3067 CB ALA 218 -9.235 -0.554 -6.721 1.00 0.00 PRO +ATOM 3068 HB1 ALA 218 -8.776 0.415 -6.995 1.00 0.00 PRO +ATOM 3069 HB2 ALA 218 -9.721 -0.437 -5.729 1.00 0.00 PRO +ATOM 3070 HB3 ALA 218 -10.032 -0.800 -7.454 1.00 0.00 PRO +ATOM 3071 C ALA 218 -7.497 -1.744 -8.006 1.00 0.00 PRO +ATOM 3072 O ALA 218 -6.381 -1.267 -8.249 1.00 0.00 PRO +ATOM 3073 N ASN 219 -8.236 -2.329 -8.941 1.00 0.00 PRO +ATOM 3074 HN ASN 219 -9.110 -2.747 -8.669 1.00 0.00 PRO +ATOM 3075 CA ASN 219 -7.976 -2.247 -10.347 1.00 0.00 PRO +ATOM 3076 HA ASN 219 -7.337 -1.395 -10.538 1.00 0.00 PRO +ATOM 3077 CB ASN 219 -7.272 -3.527 -10.886 1.00 0.00 PRO +ATOM 3078 HB1 ASN 219 -6.261 -3.537 -10.428 1.00 0.00 PRO +ATOM 3079 HB2 ASN 219 -7.138 -3.488 -11.983 1.00 0.00 PRO +ATOM 3080 CG ASN 219 -7.994 -4.839 -10.542 1.00 0.00 PRO +ATOM 3081 OD1 ASN 219 -9.201 -4.893 -10.390 1.00 0.00 PRO +ATOM 3082 ND2 ASN 219 -7.182 -5.935 -10.440 1.00 0.00 PRO +ATOM 3083 HD21 ASN 219 -7.561 -6.837 -10.254 1.00 0.00 PRO +ATOM 3084 HD22 ASN 219 -6.191 -5.805 -10.465 1.00 0.00 PRO +ATOM 3085 C ASN 219 -9.318 -1.901 -10.967 1.00 0.00 PRO +ATOM 3086 O ASN 219 -10.216 -1.384 -10.310 1.00 0.00 PRO +ATOM 3087 N SER 220 -9.494 -2.144 -12.278 1.00 0.00 PRO +ATOM 3088 HN SER 220 -8.750 -2.497 -12.839 1.00 0.00 PRO +ATOM 3089 CA SER 220 -10.762 -1.850 -12.927 1.00 0.00 PRO +ATOM 3090 HA SER 220 -11.125 -0.906 -12.541 1.00 0.00 PRO +ATOM 3091 CB SER 220 -10.628 -1.696 -14.469 1.00 0.00 PRO +ATOM 3092 HB1 SER 220 -9.897 -0.880 -14.666 1.00 0.00 PRO +ATOM 3093 HB2 SER 220 -11.602 -1.390 -14.910 1.00 0.00 PRO +ATOM 3094 OG SER 220 -10.165 -2.881 -15.122 1.00 0.00 PRO +ATOM 3095 HG1 SER 220 -9.247 -3.003 -14.823 1.00 0.00 PRO +ATOM 3096 C SER 220 -11.853 -2.867 -12.638 1.00 0.00 PRO +ATOM 3097 O SER 220 -13.017 -2.611 -12.939 1.00 0.00 PRO +ATOM 3098 N ILE 221 -11.501 -4.036 -12.062 1.00 0.00 PRO +ATOM 3099 HN ILE 221 -10.561 -4.198 -11.755 1.00 0.00 PRO +ATOM 3100 CA ILE 221 -12.417 -5.143 -11.861 1.00 0.00 PRO +ATOM 3101 HA ILE 221 -13.277 -5.023 -12.501 1.00 0.00 PRO +ATOM 3102 CB ILE 221 -11.741 -6.475 -12.206 1.00 0.00 PRO +ATOM 3103 HB ILE 221 -10.853 -6.621 -11.543 1.00 0.00 PRO +ATOM 3104 CG2 ILE 221 -12.707 -7.657 -11.949 1.00 0.00 PRO +ATOM 3105 HG21 ILE 221 -13.674 -7.489 -12.464 1.00 0.00 PRO +ATOM 3106 HG22 ILE 221 -12.899 -7.779 -10.861 1.00 0.00 PRO +ATOM 3107 HG23 ILE 221 -12.262 -8.603 -12.320 1.00 0.00 PRO +ATOM 3108 CG1 ILE 221 -11.212 -6.475 -13.668 1.00 0.00 PRO +ATOM 3109 HG11 ILE 221 -10.766 -7.469 -13.872 1.00 0.00 PRO +ATOM 3110 HG12 ILE 221 -10.386 -5.734 -13.757 1.00 0.00 PRO +ATOM 3111 CD ILE 221 -12.269 -6.182 -14.740 1.00 0.00 PRO +ATOM 3112 HD1 ILE 221 -12.695 -5.167 -14.594 1.00 0.00 PRO +ATOM 3113 HD2 ILE 221 -13.093 -6.926 -14.694 1.00 0.00 PRO +ATOM 3114 HD3 ILE 221 -11.815 -6.217 -15.753 1.00 0.00 PRO +ATOM 3115 C ILE 221 -12.975 -5.155 -10.446 1.00 0.00 PRO +ATOM 3116 O ILE 221 -14.184 -5.271 -10.260 1.00 0.00 PRO +ATOM 3117 N SER 222 -12.108 -4.995 -9.425 1.00 0.00 PRO +ATOM 3118 HN SER 222 -11.130 -4.852 -9.587 1.00 0.00 PRO +ATOM 3119 CA SER 222 -12.518 -5.104 -8.031 1.00 0.00 PRO +ATOM 3120 HA SER 222 -13.570 -4.869 -7.948 1.00 0.00 PRO +ATOM 3121 CB SER 222 -12.274 -6.512 -7.415 1.00 0.00 PRO +ATOM 3122 HB1 SER 222 -12.549 -6.518 -6.337 1.00 0.00 PRO +ATOM 3123 HB2 SER 222 -11.196 -6.774 -7.503 1.00 0.00 PRO +ATOM 3124 OG SER 222 -13.056 -7.521 -8.062 1.00 0.00 PRO +ATOM 3125 HG1 SER 222 -13.131 -8.247 -7.418 1.00 0.00 PRO +ATOM 3126 C SER 222 -11.799 -4.077 -7.182 1.00 0.00 PRO +ATOM 3127 O SER 222 -10.811 -3.473 -7.615 1.00 0.00 PRO +ATOM 3128 N GLU 223 -12.310 -3.837 -5.960 1.00 0.00 PRO +ATOM 3129 HN GLU 223 -13.098 -4.337 -5.602 1.00 0.00 PRO +ATOM 3130 CA GLU 223 -11.771 -2.889 -5.006 1.00 0.00 PRO +ATOM 3131 HA GLU 223 -10.703 -2.862 -5.142 1.00 0.00 PRO +ATOM 3132 CB GLU 223 -12.361 -1.458 -5.173 1.00 0.00 PRO +ATOM 3133 HB1 GLU 223 -12.105 -1.158 -6.215 1.00 0.00 PRO +ATOM 3134 HB2 GLU 223 -11.834 -0.744 -4.504 1.00 0.00 PRO +ATOM 3135 CG GLU 223 -13.907 -1.324 -5.010 1.00 0.00 PRO +ATOM 3136 HG1 GLU 223 -14.392 -2.315 -5.118 1.00 0.00 PRO +ATOM 3137 HG2 GLU 223 -14.265 -0.692 -5.852 1.00 0.00 PRO +ATOM 3138 CD GLU 223 -14.464 -0.638 -3.754 1.00 0.00 PRO +ATOM 3139 OE1 GLU 223 -13.678 -0.136 -2.874 1.00 0.00 PRO +ATOM 3140 OE2 GLU 223 -15.694 -0.504 -3.664 1.00 0.00 PRO +ATOM 3141 C GLU 223 -12.028 -3.414 -3.605 1.00 0.00 PRO +ATOM 3142 O GLU 223 -12.875 -4.278 -3.407 1.00 0.00 PRO +ATOM 3143 N ALA 224 -11.257 -2.929 -2.611 1.00 0.00 PRO +ATOM 3144 HN ALA 224 -10.550 -2.253 -2.792 1.00 0.00 PRO +ATOM 3145 CA ALA 224 -11.386 -3.360 -1.239 1.00 0.00 PRO +ATOM 3146 HA ALA 224 -12.427 -3.585 -1.049 1.00 0.00 PRO +ATOM 3147 CB ALA 224 -10.533 -4.617 -0.957 1.00 0.00 PRO +ATOM 3148 HB1 ALA 224 -9.454 -4.409 -1.118 1.00 0.00 PRO +ATOM 3149 HB2 ALA 224 -10.835 -5.438 -1.641 1.00 0.00 PRO +ATOM 3150 HB3 ALA 224 -10.668 -4.973 0.087 1.00 0.00 PRO +ATOM 3151 C ALA 224 -11.010 -2.237 -0.282 1.00 0.00 PRO +ATOM 3152 O ALA 224 -10.278 -1.300 -0.624 1.00 0.00 PRO +ATOM 3153 N LEU 225 -11.564 -2.306 0.940 1.00 0.00 PRO +ATOM 3154 HN LEU 225 -12.169 -3.078 1.139 1.00 0.00 PRO +ATOM 3155 CA LEU 225 -11.334 -1.396 2.041 1.00 0.00 PRO +ATOM 3156 HA LEU 225 -10.453 -0.796 1.856 1.00 0.00 PRO +ATOM 3157 CB LEU 225 -12.604 -0.512 2.230 1.00 0.00 PRO +ATOM 3158 HB1 LEU 225 -13.478 -1.197 2.143 1.00 0.00 PRO +ATOM 3159 HB2 LEU 225 -12.652 0.189 1.371 1.00 0.00 PRO +ATOM 3160 CG LEU 225 -12.761 0.268 3.556 1.00 0.00 PRO +ATOM 3161 HG LEU 225 -12.708 -0.458 4.404 1.00 0.00 PRO +ATOM 3162 CD1 LEU 225 -11.655 1.308 3.757 1.00 0.00 PRO +ATOM 3163 HD11 LEU 225 -11.659 2.056 2.943 1.00 0.00 PRO +ATOM 3164 HD12 LEU 225 -10.665 0.806 3.756 1.00 0.00 PRO +ATOM 3165 HD13 LEU 225 -11.783 1.828 4.729 1.00 0.00 PRO +ATOM 3166 CD2 LEU 225 -14.145 0.935 3.630 1.00 0.00 PRO +ATOM 3167 HD21 LEU 225 -14.937 0.161 3.546 1.00 0.00 PRO +ATOM 3168 HD22 LEU 225 -14.264 1.662 2.800 1.00 0.00 PRO +ATOM 3169 HD23 LEU 225 -14.266 1.462 4.599 1.00 0.00 PRO +ATOM 3170 C LEU 225 -11.074 -2.234 3.280 1.00 0.00 PRO +ATOM 3171 O LEU 225 -11.973 -2.939 3.737 1.00 0.00 PRO +ATOM 3172 N THR 226 -9.850 -2.181 3.845 1.00 0.00 PRO +ATOM 3173 HN THR 226 -9.135 -1.586 3.474 1.00 0.00 PRO +ATOM 3174 CA THR 226 -9.416 -3.170 4.833 1.00 0.00 PRO +ATOM 3175 HA THR 226 -10.278 -3.706 5.210 1.00 0.00 PRO +ATOM 3176 CB THR 226 -8.490 -4.234 4.242 1.00 0.00 PRO +ATOM 3177 HB THR 226 -7.453 -3.853 4.086 1.00 0.00 PRO +ATOM 3178 OG1 THR 226 -8.965 -4.687 2.983 1.00 0.00 PRO +ATOM 3179 HG1 THR 226 -8.242 -5.230 2.634 1.00 0.00 PRO +ATOM 3180 CG2 THR 226 -8.447 -5.442 5.177 1.00 0.00 PRO +ATOM 3181 HG21 THR 226 -9.458 -5.851 5.361 1.00 0.00 PRO +ATOM 3182 HG22 THR 226 -7.980 -5.168 6.144 1.00 0.00 PRO +ATOM 3183 HG23 THR 226 -7.825 -6.247 4.729 1.00 0.00 PRO +ATOM 3184 C THR 226 -8.700 -2.513 5.995 1.00 0.00 PRO +ATOM 3185 O THR 226 -7.634 -1.880 5.786 1.00 0.00 PRO +ATOM 3186 N PRO 227 -9.141 -2.565 7.241 1.00 0.00 PRO +ATOM 3187 CD PRO 227 -10.566 -2.663 7.585 1.00 0.00 PRO +ATOM 3188 HD1 PRO 227 -10.972 -3.651 7.286 1.00 0.00 PRO +ATOM 3189 HD2 PRO 227 -11.120 -1.851 7.065 1.00 0.00 PRO +ATOM 3190 CA PRO 227 -8.318 -2.215 8.389 1.00 0.00 PRO +ATOM 3191 HA PRO 227 -7.585 -1.461 8.130 1.00 0.00 PRO +ATOM 3192 CB PRO 227 -9.337 -1.715 9.427 1.00 0.00 PRO +ATOM 3193 HB1 PRO 227 -9.505 -0.630 9.260 1.00 0.00 PRO +ATOM 3194 HB2 PRO 227 -9.000 -1.864 10.473 1.00 0.00 PRO +ATOM 3195 CG PRO 227 -10.627 -2.477 9.104 1.00 0.00 PRO +ATOM 3196 HG1 PRO 227 -10.603 -3.480 9.585 1.00 0.00 PRO +ATOM 3197 HG2 PRO 227 -11.535 -1.934 9.430 1.00 0.00 PRO +ATOM 3198 C PRO 227 -7.572 -3.435 8.913 1.00 0.00 PRO +ATOM 3199 O PRO 227 -8.130 -4.526 8.947 1.00 0.00 PRO +ATOM 3200 N HSD 228 -6.312 -3.247 9.359 1.00 0.00 PRO +ATOM 3201 HN HSD 228 -5.864 -2.357 9.272 1.00 0.00 PRO +ATOM 3202 CA HSD 228 -5.486 -4.314 9.901 1.00 0.00 PRO +ATOM 3203 HA HSD 228 -6.047 -5.237 9.951 1.00 0.00 PRO +ATOM 3204 CB HSD 228 -4.264 -4.585 9.005 1.00 0.00 PRO +ATOM 3205 HB1 HSD 228 -3.568 -5.309 9.480 1.00 0.00 PRO +ATOM 3206 HB2 HSD 228 -3.715 -3.641 8.808 1.00 0.00 PRO +ATOM 3207 ND1 HSD 228 -4.611 -6.492 7.387 1.00 0.00 PRO +ATOM 3208 HD1 HSD 228 -4.247 -7.211 7.982 1.00 0.00 PRO +ATOM 3209 CG HSD 228 -4.676 -5.145 7.691 1.00 0.00 PRO +ATOM 3210 CE1 HSD 228 -4.935 -6.610 6.083 1.00 0.00 PRO +ATOM 3211 HE1 HSD 228 -4.933 -7.557 5.536 1.00 0.00 PRO +ATOM 3212 NE2 HSD 228 -5.202 -5.447 5.540 1.00 0.00 PRO +ATOM 3213 CD2 HSD 228 -5.013 -4.522 6.536 1.00 0.00 PRO +ATOM 3214 HD2 HSD 228 -5.115 -3.464 6.311 1.00 0.00 PRO +ATOM 3215 C HSD 228 -4.955 -3.943 11.275 1.00 0.00 PRO +ATOM 3216 O HSD 228 -4.140 -3.011 11.386 1.00 0.00 PRO +ATOM 3217 N PRO 229 -5.334 -4.601 12.363 1.00 0.00 PRO +ATOM 3218 CD PRO 229 -6.539 -5.430 12.448 1.00 0.00 PRO +ATOM 3219 HD1 PRO 229 -6.473 -6.313 11.771 1.00 0.00 PRO +ATOM 3220 HD2 PRO 229 -7.417 -4.806 12.179 1.00 0.00 PRO +ATOM 3221 CA PRO 229 -4.763 -4.332 13.665 1.00 0.00 PRO +ATOM 3222 HA PRO 229 -4.495 -3.288 13.760 1.00 0.00 PRO +ATOM 3223 CB PRO 229 -5.870 -4.756 14.649 1.00 0.00 PRO +ATOM 3224 HB1 PRO 229 -6.562 -3.902 14.806 1.00 0.00 PRO +ATOM 3225 HB2 PRO 229 -5.487 -5.087 15.636 1.00 0.00 PRO +ATOM 3226 CG PRO 229 -6.618 -5.870 13.912 1.00 0.00 PRO +ATOM 3227 HG1 PRO 229 -6.073 -6.834 14.015 1.00 0.00 PRO +ATOM 3228 HG2 PRO 229 -7.661 -6.007 14.259 1.00 0.00 PRO +ATOM 3229 C PRO 229 -3.511 -5.153 13.876 1.00 0.00 PRO +ATOM 3230 O PRO 229 -3.330 -6.235 13.307 1.00 0.00 PRO +ATOM 3231 N CYS 230 -2.612 -4.652 14.722 1.00 0.00 PRO +ATOM 3232 HN CYS 230 -2.748 -3.757 15.141 1.00 0.00 PRO +ATOM 3233 CA CYS 230 -1.453 -5.385 15.153 1.00 0.00 PRO +ATOM 3234 HA CYS 230 -1.587 -6.445 14.971 1.00 0.00 PRO +ATOM 3235 CB CYS 230 -0.141 -4.880 14.503 1.00 0.00 PRO +ATOM 3236 HB1 CYS 230 0.720 -5.482 14.864 1.00 0.00 PRO +ATOM 3237 HB2 CYS 230 0.033 -3.824 14.803 1.00 0.00 PRO +ATOM 3238 SG CYS 230 -0.193 -4.908 12.688 1.00 0.00 PRO +ATOM 3239 C CYS 230 -1.381 -5.180 16.640 1.00 0.00 PRO +ATOM 3240 O CYS 230 -1.865 -4.171 17.174 1.00 0.00 PRO +ATOM 3241 N THR 231 -0.785 -6.125 17.382 1.00 0.00 PRO +ATOM 3242 HN THR 231 -0.419 -6.958 16.949 1.00 0.00 PRO +ATOM 3243 CA THR 231 -0.644 -6.022 18.834 1.00 0.00 PRO +ATOM 3244 HA THR 231 -1.634 -5.859 19.234 1.00 0.00 PRO +ATOM 3245 CB THR 231 -0.101 -7.292 19.475 1.00 0.00 PRO +ATOM 3246 HB THR 231 -0.022 -7.176 20.583 1.00 0.00 PRO +ATOM 3247 OG1 THR 231 1.162 -7.665 18.937 1.00 0.00 PRO +ATOM 3248 HG1 THR 231 1.810 -7.005 19.217 1.00 0.00 PRO +ATOM 3249 CG2 THR 231 -1.075 -8.445 19.172 1.00 0.00 PRO +ATOM 3250 HG21 THR 231 -1.117 -8.657 18.084 1.00 0.00 PRO +ATOM 3251 HG22 THR 231 -2.100 -8.199 19.523 1.00 0.00 PRO +ATOM 3252 HG23 THR 231 -0.743 -9.372 19.685 1.00 0.00 PRO +ATOM 3253 C THR 231 0.193 -4.816 19.251 1.00 0.00 PRO +ATOM 3254 O THR 231 -0.126 -4.077 20.185 1.00 0.00 PRO +ATOM 3255 N THR 232 1.267 -4.564 18.481 1.00 0.00 PRO +ATOM 3256 HN THR 232 1.453 -5.142 17.691 1.00 0.00 PRO +ATOM 3257 CA THR 232 2.132 -3.405 18.607 1.00 0.00 PRO +ATOM 3258 HA THR 232 1.956 -2.918 19.555 1.00 0.00 PRO +ATOM 3259 CB THR 232 3.619 -3.728 18.509 1.00 0.00 PRO +ATOM 3260 HB THR 232 3.841 -4.249 17.546 1.00 0.00 PRO +ATOM 3261 OG1 THR 232 4.004 -4.574 19.585 1.00 0.00 PRO +ATOM 3262 HG1 THR 232 4.858 -4.982 19.302 1.00 0.00 PRO +ATOM 3263 CG2 THR 232 4.467 -2.453 18.629 1.00 0.00 PRO +ATOM 3264 HG21 THR 232 4.238 -1.910 19.568 1.00 0.00 PRO +ATOM 3265 HG22 THR 232 4.313 -1.780 17.760 1.00 0.00 PRO +ATOM 3266 HG23 THR 232 5.544 -2.728 18.647 1.00 0.00 PRO +ATOM 3267 C THR 232 1.729 -2.459 17.503 1.00 0.00 PRO +ATOM 3268 O THR 232 1.774 -2.799 16.320 1.00 0.00 PRO +ATOM 3269 N VAL 233 1.230 -1.262 17.859 1.00 0.00 PRO +ATOM 3270 HN VAL 233 1.208 -1.014 18.817 1.00 0.00 PRO +ATOM 3271 CA VAL 233 0.650 -0.307 16.920 1.00 0.00 PRO +ATOM 3272 HA VAL 233 -0.128 -0.819 16.375 1.00 0.00 PRO +ATOM 3273 CB VAL 233 0.008 0.860 17.681 1.00 0.00 PRO +ATOM 3274 HB VAL 233 0.759 1.307 18.373 1.00 0.00 PRO +ATOM 3275 CG1 VAL 233 -0.499 1.965 16.729 1.00 0.00 PRO +ATOM 3276 HG11 VAL 233 -1.159 1.524 15.950 1.00 0.00 PRO +ATOM 3277 HG12 VAL 233 0.333 2.487 16.210 1.00 0.00 PRO +ATOM 3278 HG13 VAL 233 -1.086 2.725 17.285 1.00 0.00 PRO +ATOM 3279 CG2 VAL 233 -1.180 0.312 18.497 1.00 0.00 PRO +ATOM 3280 HG21 VAL 233 -0.869 -0.480 19.201 1.00 0.00 PRO +ATOM 3281 HG22 VAL 233 -1.937 -0.127 17.807 1.00 0.00 PRO +ATOM 3282 HG23 VAL 233 -1.668 1.130 19.067 1.00 0.00 PRO +ATOM 3283 C VAL 233 1.619 0.208 15.869 1.00 0.00 PRO +ATOM 3284 O VAL 233 1.291 0.258 14.676 1.00 0.00 PRO +ATOM 3285 N GLY 234 2.838 0.588 16.285 1.00 0.00 PRO +ATOM 3286 HN GLY 234 3.127 0.380 17.217 1.00 0.00 PRO +ATOM 3287 CA GLY 234 3.828 1.210 15.419 1.00 0.00 PRO +ATOM 3288 HA1 GLY 234 4.373 1.903 16.024 1.00 0.00 PRO +ATOM 3289 HA2 GLY 234 3.353 1.679 14.568 1.00 0.00 PRO +ATOM 3290 C GLY 234 4.843 0.251 14.900 1.00 0.00 PRO +ATOM 3291 O GLY 234 4.731 -0.954 15.071 1.00 0.00 PRO +ATOM 3292 N GLN 235 5.899 0.803 14.271 1.00 0.00 PRO +ATOM 3293 HN GLN 235 5.932 1.782 14.099 1.00 0.00 PRO +ATOM 3294 CA GLN 235 6.985 0.042 13.688 1.00 0.00 PRO +ATOM 3295 HA GLN 235 6.549 -0.632 12.968 1.00 0.00 PRO +ATOM 3296 CB GLN 235 7.923 1.011 12.921 1.00 0.00 PRO +ATOM 3297 HB1 GLN 235 8.426 1.713 13.620 1.00 0.00 PRO +ATOM 3298 HB2 GLN 235 7.255 1.631 12.274 1.00 0.00 PRO +ATOM 3299 CG GLN 235 8.958 0.351 11.973 1.00 0.00 PRO +ATOM 3300 HG1 GLN 235 9.308 1.121 11.249 1.00 0.00 PRO +ATOM 3301 HG2 GLN 235 8.439 -0.438 11.390 1.00 0.00 PRO +ATOM 3302 CD GLN 235 10.196 -0.231 12.670 1.00 0.00 PRO +ATOM 3303 OE1 GLN 235 10.847 0.381 13.524 1.00 0.00 PRO +ATOM 3304 NE2 GLN 235 10.584 -1.451 12.244 1.00 0.00 PRO +ATOM 3305 HE21 GLN 235 11.439 -1.825 12.628 1.00 0.00 PRO +ATOM 3306 HE22 GLN 235 10.078 -1.925 11.526 1.00 0.00 PRO +ATOM 3307 C GLN 235 7.735 -0.814 14.713 1.00 0.00 PRO +ATOM 3308 O GLN 235 8.165 -0.361 15.764 1.00 0.00 PRO +ATOM 3309 N GLU 236 7.875 -2.115 14.378 1.00 0.00 PRO +ATOM 3310 HN GLU 236 7.459 -2.461 13.537 1.00 0.00 PRO +ATOM 3311 CA GLU 236 8.437 -3.118 15.246 1.00 0.00 PRO +ATOM 3312 HA GLU 236 9.162 -2.657 15.901 1.00 0.00 PRO +ATOM 3313 CB GLU 236 7.314 -3.807 16.076 1.00 0.00 PRO +ATOM 3314 HB1 GLU 236 6.555 -4.206 15.363 1.00 0.00 PRO +ATOM 3315 HB2 GLU 236 6.803 -3.015 16.668 1.00 0.00 PRO +ATOM 3316 CG GLU 236 7.755 -4.954 17.025 1.00 0.00 PRO +ATOM 3317 HG1 GLU 236 8.494 -4.583 17.759 1.00 0.00 PRO +ATOM 3318 HG2 GLU 236 8.204 -5.785 16.445 1.00 0.00 PRO +ATOM 3319 CD GLU 236 6.592 -5.552 17.822 1.00 0.00 PRO +ATOM 3320 OE1 GLU 236 5.660 -6.140 17.200 1.00 0.00 PRO +ATOM 3321 OE2 GLU 236 6.609 -5.437 19.070 1.00 0.00 PRO +ATOM 3322 C GLU 236 9.172 -4.120 14.382 1.00 0.00 PRO +ATOM 3323 O GLU 236 8.729 -4.460 13.275 1.00 0.00 PRO +ATOM 3324 N ILE 237 10.338 -4.614 14.823 1.00 0.00 PRO +ATOM 3325 HN ILE 237 10.681 -4.389 15.727 1.00 0.00 PRO +ATOM 3326 CA ILE 237 11.070 -5.654 14.119 1.00 0.00 PRO +ATOM 3327 HA ILE 237 10.832 -5.596 13.063 1.00 0.00 PRO +ATOM 3328 CB ILE 237 12.582 -5.500 14.260 1.00 0.00 PRO +ATOM 3329 HB ILE 237 12.795 -4.440 14.003 1.00 0.00 PRO +ATOM 3330 CG2 ILE 237 13.033 -5.780 15.713 1.00 0.00 PRO +ATOM 3331 HG21 ILE 237 12.933 -6.866 15.938 1.00 0.00 PRO +ATOM 3332 HG22 ILE 237 12.421 -5.216 16.445 1.00 0.00 PRO +ATOM 3333 HG23 ILE 237 14.099 -5.514 15.848 1.00 0.00 PRO +ATOM 3334 CG1 ILE 237 13.366 -6.356 13.234 1.00 0.00 PRO +ATOM 3335 HG11 ILE 237 12.895 -6.230 12.232 1.00 0.00 PRO +ATOM 3336 HG12 ILE 237 13.295 -7.436 13.503 1.00 0.00 PRO +ATOM 3337 CD ILE 237 14.846 -5.970 13.122 1.00 0.00 PRO +ATOM 3338 HD1 ILE 237 15.381 -6.190 14.070 1.00 0.00 PRO +ATOM 3339 HD2 ILE 237 14.959 -4.895 12.877 1.00 0.00 PRO +ATOM 3340 HD3 ILE 237 15.333 -6.565 12.319 1.00 0.00 PRO +ATOM 3341 C ILE 237 10.606 -7.009 14.614 1.00 0.00 PRO +ATOM 3342 O ILE 237 10.209 -7.178 15.766 1.00 0.00 PRO +ATOM 3343 N CYS 238 10.635 -8.011 13.735 1.00 0.00 PRO +ATOM 3344 HN CYS 238 11.008 -7.883 12.819 1.00 0.00 PRO +ATOM 3345 CA CYS 238 10.148 -9.340 14.026 1.00 0.00 PRO +ATOM 3346 HA CYS 238 10.222 -9.528 15.085 1.00 0.00 PRO +ATOM 3347 CB CYS 238 8.676 -9.539 13.590 1.00 0.00 PRO +ATOM 3348 HB1 CYS 238 8.027 -9.083 14.371 1.00 0.00 PRO +ATOM 3349 HB2 CYS 238 8.416 -10.619 13.545 1.00 0.00 PRO +ATOM 3350 SG CYS 238 8.325 -8.729 12.004 1.00 0.00 PRO +ATOM 3351 HG1 CYS 238 8.454 -7.491 12.465 1.00 0.00 PRO +ATOM 3352 C CYS 238 11.073 -10.335 13.362 1.00 0.00 PRO +ATOM 3353 O CYS 238 11.843 -9.993 12.484 1.00 0.00 PRO +ATOM 3354 N GLU 239 11.006 -11.606 13.831 1.00 0.00 PRO +ATOM 3355 HN GLU 239 10.316 -11.893 14.485 1.00 0.00 PRO +ATOM 3356 CA GLU 239 12.035 -12.576 13.540 1.00 0.00 PRO +ATOM 3357 HA GLU 239 12.847 -12.115 12.988 1.00 0.00 PRO +ATOM 3358 CB GLU 239 12.597 -13.178 14.857 1.00 0.00 PRO +ATOM 3359 HB1 GLU 239 13.399 -13.893 14.580 1.00 0.00 PRO +ATOM 3360 HB2 GLU 239 11.794 -13.739 15.387 1.00 0.00 PRO +ATOM 3361 CG GLU 239 13.201 -12.158 15.852 1.00 0.00 PRO +ATOM 3362 HG1 GLU 239 13.643 -12.695 16.717 1.00 0.00 PRO +ATOM 3363 HG2 GLU 239 12.425 -11.465 16.231 1.00 0.00 PRO +ATOM 3364 CD GLU 239 14.326 -11.343 15.235 1.00 0.00 PRO +ATOM 3365 OE1 GLU 239 15.311 -11.987 14.806 1.00 0.00 PRO +ATOM 3366 OE2 GLU 239 14.236 -10.084 15.269 1.00 0.00 PRO +ATOM 3367 C GLU 239 11.517 -13.734 12.711 1.00 0.00 PRO +ATOM 3368 O GLU 239 10.505 -14.380 13.058 1.00 0.00 PRO +ATOM 3369 N GLY 240 12.216 -14.092 11.623 1.00 0.00 PRO +ATOM 3370 HN GLY 240 12.970 -13.495 11.309 1.00 0.00 PRO +ATOM 3371 CA GLY 240 11.984 -15.276 10.794 1.00 0.00 PRO +ATOM 3372 HA1 GLY 240 12.283 -16.133 11.381 1.00 0.00 PRO +ATOM 3373 HA2 GLY 240 12.577 -15.155 9.903 1.00 0.00 PRO +ATOM 3374 C GLY 240 10.559 -15.497 10.352 1.00 0.00 PRO +ATOM 3375 O GLY 240 9.867 -14.585 9.916 1.00 0.00 PRO +ATOM 3376 N ASP 241 10.043 -16.729 10.485 1.00 0.00 PRO +ATOM 3377 HN ASP 241 10.613 -17.511 10.718 1.00 0.00 PRO +ATOM 3378 CA ASP 241 8.680 -17.055 10.093 1.00 0.00 PRO +ATOM 3379 HA ASP 241 8.373 -16.403 9.286 1.00 0.00 PRO +ATOM 3380 CB ASP 241 8.605 -18.525 9.597 1.00 0.00 PRO +ATOM 3381 HB1 ASP 241 7.566 -18.771 9.295 1.00 0.00 PRO +ATOM 3382 HB2 ASP 241 8.901 -19.225 10.406 1.00 0.00 PRO +ATOM 3383 CG ASP 241 9.547 -18.740 8.419 1.00 0.00 PRO +ATOM 3384 OD1 ASP 241 9.078 -18.607 7.219 1.00 0.00 PRO +ATOM 3385 OD2 ASP 241 10.745 -18.910 8.627 1.00 0.00 PRO +ATOM 3386 C ASP 241 7.724 -16.793 11.260 1.00 0.00 PRO +ATOM 3387 O ASP 241 6.531 -17.136 11.236 1.00 0.00 PRO +ATOM 3388 N GLY 242 8.211 -16.102 12.307 1.00 0.00 PRO +ATOM 3389 HN GLY 242 9.179 -15.830 12.296 1.00 0.00 PRO +ATOM 3390 CA GLY 242 7.427 -15.515 13.382 1.00 0.00 PRO +ATOM 3391 HA1 GLY 242 8.084 -15.363 14.224 1.00 0.00 PRO +ATOM 3392 HA2 GLY 242 6.578 -16.149 13.602 1.00 0.00 PRO +ATOM 3393 C GLY 242 6.910 -14.159 12.999 1.00 0.00 PRO +ATOM 3394 O GLY 242 6.048 -13.611 13.697 1.00 0.00 PRO +ATOM 3395 N CYS 243 7.425 -13.575 11.901 1.00 0.00 PRO +ATOM 3396 HN CYS 243 8.180 -14.022 11.418 1.00 0.00 PRO +ATOM 3397 CA CYS 243 6.928 -12.358 11.271 1.00 0.00 PRO +ATOM 3398 HA CYS 243 6.934 -11.566 12.005 1.00 0.00 PRO +ATOM 3399 CB CYS 243 7.794 -11.942 10.049 1.00 0.00 PRO +ATOM 3400 HB1 CYS 243 7.361 -11.023 9.591 1.00 0.00 PRO +ATOM 3401 HB2 CYS 243 7.741 -12.744 9.281 1.00 0.00 PRO +ATOM 3402 SG CYS 243 9.533 -11.616 10.476 1.00 0.00 PRO +ATOM 3403 HG1 CYS 243 9.859 -12.882 10.712 1.00 0.00 PRO +ATOM 3404 C CYS 243 5.502 -12.501 10.786 1.00 0.00 PRO +ATOM 3405 O CYS 243 4.678 -11.606 10.968 1.00 0.00 PRO +ATOM 3406 N GLY 244 5.180 -13.664 10.188 1.00 0.00 PRO +ATOM 3407 HN GLY 244 5.879 -14.368 10.089 1.00 0.00 PRO +ATOM 3408 CA GLY 244 3.914 -13.913 9.522 1.00 0.00 PRO +ATOM 3409 HA1 GLY 244 3.107 -13.557 10.148 1.00 0.00 PRO +ATOM 3410 HA2 GLY 244 3.866 -14.968 9.321 1.00 0.00 PRO +ATOM 3411 C GLY 244 3.790 -13.238 8.187 1.00 0.00 PRO +ATOM 3412 O GLY 244 4.783 -12.942 7.521 1.00 0.00 PRO +ATOM 3413 N GLY 245 2.527 -13.067 7.752 1.00 0.00 PRO +ATOM 3414 HN GLY 245 1.776 -13.412 8.322 1.00 0.00 PRO +ATOM 3415 CA GLY 245 2.150 -12.504 6.470 1.00 0.00 PRO +ATOM 3416 HA1 GLY 245 2.579 -11.515 6.417 1.00 0.00 PRO +ATOM 3417 HA2 GLY 245 1.072 -12.489 6.419 1.00 0.00 PRO +ATOM 3418 C GLY 245 2.635 -13.260 5.271 1.00 0.00 PRO +ATOM 3419 O GLY 245 2.949 -14.456 5.312 1.00 0.00 PRO +ATOM 3420 N THR 246 2.674 -12.565 4.136 1.00 0.00 PRO +ATOM 3421 HN THR 246 2.355 -11.614 4.176 1.00 0.00 PRO +ATOM 3422 CA THR 246 2.970 -13.089 2.804 1.00 0.00 PRO +ATOM 3423 HA THR 246 2.237 -13.849 2.584 1.00 0.00 PRO +ATOM 3424 CB THR 246 2.832 -11.987 1.768 1.00 0.00 PRO +ATOM 3425 HB THR 246 3.484 -11.116 2.026 1.00 0.00 PRO +ATOM 3426 OG1 THR 246 1.465 -11.585 1.754 1.00 0.00 PRO +ATOM 3427 HG1 THR 246 1.313 -11.000 2.513 1.00 0.00 PRO +ATOM 3428 CG2 THR 246 3.181 -12.457 0.346 1.00 0.00 PRO +ATOM 3429 HG21 THR 246 2.570 -13.338 0.065 1.00 0.00 PRO +ATOM 3430 HG22 THR 246 4.257 -12.713 0.245 1.00 0.00 PRO +ATOM 3431 HG23 THR 246 2.968 -11.641 -0.380 1.00 0.00 PRO +ATOM 3432 C THR 246 4.315 -13.764 2.678 1.00 0.00 PRO +ATOM 3433 O THR 246 4.475 -14.792 2.006 1.00 0.00 PRO +ATOM 3434 N TYR 247 5.329 -13.212 3.355 1.00 0.00 PRO +ATOM 3435 HN TYR 247 5.145 -12.423 3.940 1.00 0.00 PRO +ATOM 3436 CA TYR 247 6.710 -13.604 3.215 1.00 0.00 PRO +ATOM 3437 HA TYR 247 6.865 -14.026 2.229 1.00 0.00 PRO +ATOM 3438 CB TYR 247 7.633 -12.365 3.390 1.00 0.00 PRO +ATOM 3439 HB1 TYR 247 8.698 -12.648 3.240 1.00 0.00 PRO +ATOM 3440 HB2 TYR 247 7.517 -11.930 4.406 1.00 0.00 PRO +ATOM 3441 CG TYR 247 7.288 -11.313 2.368 1.00 0.00 PRO +ATOM 3442 CD1 TYR 247 7.801 -11.423 1.068 1.00 0.00 PRO +ATOM 3443 HD1 TYR 247 8.415 -12.267 0.798 1.00 0.00 PRO +ATOM 3444 CE1 TYR 247 7.529 -10.445 0.105 1.00 0.00 PRO +ATOM 3445 HE1 TYR 247 7.939 -10.529 -0.889 1.00 0.00 PRO +ATOM 3446 CZ TYR 247 6.727 -9.352 0.429 1.00 0.00 PRO +ATOM 3447 OH TYR 247 6.543 -8.366 -0.562 1.00 0.00 PRO +ATOM 3448 HH TYR 247 7.430 -8.024 -0.778 1.00 0.00 PRO +ATOM 3449 CD2 TYR 247 6.483 -10.202 2.691 1.00 0.00 PRO +ATOM 3450 HD2 TYR 247 6.080 -10.097 3.687 1.00 0.00 PRO +ATOM 3451 CE2 TYR 247 6.191 -9.230 1.716 1.00 0.00 PRO +ATOM 3452 HE2 TYR 247 5.574 -8.375 1.962 1.00 0.00 PRO +ATOM 3453 C TYR 247 7.136 -14.672 4.221 1.00 0.00 PRO +ATOM 3454 O TYR 247 8.310 -14.919 4.404 1.00 0.00 PRO +ATOM 3455 N SER 248 6.165 -15.331 4.904 1.00 0.00 PRO +ATOM 3456 HN SER 248 5.202 -15.112 4.766 1.00 0.00 PRO +ATOM 3457 CA SER 248 6.473 -16.406 5.838 1.00 0.00 PRO +ATOM 3458 HA SER 248 7.504 -16.718 5.722 1.00 0.00 PRO +ATOM 3459 CB SER 248 6.244 -15.997 7.315 1.00 0.00 PRO +ATOM 3460 HB1 SER 248 6.530 -16.827 7.998 1.00 0.00 PRO +ATOM 3461 HB2 SER 248 5.165 -15.771 7.478 1.00 0.00 PRO +ATOM 3462 OG SER 248 7.017 -14.835 7.634 1.00 0.00 PRO +ATOM 3463 HG1 SER 248 6.478 -14.085 7.317 1.00 0.00 PRO +ATOM 3464 C SER 248 5.643 -17.635 5.556 1.00 0.00 PRO +ATOM 3465 O SER 248 4.549 -17.545 4.951 1.00 0.00 PRO +ATOM 3466 N ASP 249 6.104 -18.835 5.948 1.00 0.00 PRO +ATOM 3467 HN ASP 249 6.990 -18.911 6.431 1.00 0.00 PRO +ATOM 3468 CA ASP 249 5.394 -20.092 5.721 1.00 0.00 PRO +ATOM 3469 HA ASP 249 5.148 -20.094 4.668 1.00 0.00 PRO +ATOM 3470 CB ASP 249 6.304 -21.341 5.970 1.00 0.00 PRO +ATOM 3471 HB1 ASP 249 7.291 -21.154 5.505 1.00 0.00 PRO +ATOM 3472 HB2 ASP 249 5.835 -22.203 5.454 1.00 0.00 PRO +ATOM 3473 CG ASP 249 6.540 -21.776 7.416 1.00 0.00 PRO +ATOM 3474 OD1 ASP 249 6.505 -20.941 8.332 1.00 0.00 PRO +ATOM 3475 OD2 ASP 249 6.895 -22.992 7.574 1.00 0.00 PRO +ATOM 3476 C ASP 249 4.057 -20.170 6.455 1.00 0.00 PRO +ATOM 3477 O ASP 249 3.042 -20.667 5.928 1.00 0.00 PRO +ATOM 3478 N ASN 250 4.023 -19.659 7.685 1.00 0.00 PRO +ATOM 3479 HN ASN 250 4.903 -19.368 8.073 1.00 0.00 PRO +ATOM 3480 CA ASN 250 2.852 -19.542 8.509 1.00 0.00 PRO +ATOM 3481 HA ASN 250 2.055 -20.145 8.099 1.00 0.00 PRO +ATOM 3482 CB ASN 250 3.174 -20.022 9.951 1.00 0.00 PRO +ATOM 3483 HB1 ASN 250 4.032 -19.437 10.344 1.00 0.00 PRO +ATOM 3484 HB2 ASN 250 3.471 -21.092 9.906 1.00 0.00 PRO +ATOM 3485 CG ASN 250 1.967 -19.875 10.872 1.00 0.00 PRO +ATOM 3486 OD1 ASN 250 0.840 -19.681 10.443 1.00 0.00 PRO +ATOM 3487 ND2 ASN 250 2.220 -19.920 12.205 1.00 0.00 PRO +ATOM 3488 HD21 ASN 250 1.433 -19.755 12.797 1.00 0.00 PRO +ATOM 3489 HD22 ASN 250 3.161 -19.964 12.512 1.00 0.00 PRO +ATOM 3490 C ASN 250 2.410 -18.085 8.476 1.00 0.00 PRO +ATOM 3491 O ASN 250 2.988 -17.216 9.092 1.00 0.00 PRO +ATOM 3492 N ARG 251 1.311 -17.832 7.728 1.00 0.00 PRO +ATOM 3493 HN ARG 251 0.845 -18.583 7.289 1.00 0.00 PRO +ATOM 3494 CA ARG 251 0.784 -16.504 7.493 1.00 0.00 PRO +ATOM 3495 HA ARG 251 1.593 -15.901 7.101 1.00 0.00 PRO +ATOM 3496 CB ARG 251 -0.319 -16.593 6.407 1.00 0.00 PRO +ATOM 3497 HB1 ARG 251 -1.117 -17.289 6.747 1.00 0.00 PRO +ATOM 3498 HB2 ARG 251 0.166 -17.026 5.503 1.00 0.00 PRO +ATOM 3499 CG ARG 251 -0.962 -15.247 6.015 1.00 0.00 PRO +ATOM 3500 HG1 ARG 251 -0.147 -14.513 5.826 1.00 0.00 PRO +ATOM 3501 HG2 ARG 251 -1.575 -14.873 6.865 1.00 0.00 PRO +ATOM 3502 CD ARG 251 -1.867 -15.321 4.772 1.00 0.00 PRO +ATOM 3503 HD1 ARG 251 -2.753 -15.965 4.977 1.00 0.00 PRO +ATOM 3504 HD2 ARG 251 -1.310 -15.760 3.909 1.00 0.00 PRO +ATOM 3505 NE ARG 251 -2.342 -13.951 4.449 1.00 0.00 PRO +ATOM 3506 HE ARG 251 -3.248 -13.606 4.823 1.00 0.00 PRO +ATOM 3507 CZ ARG 251 -1.762 -13.077 3.625 1.00 0.00 PRO +ATOM 3508 NH1 ARG 251 -0.647 -13.396 2.952 1.00 0.00 PRO +ATOM 3509 HH11 ARG 251 -0.250 -14.274 3.084 1.00 0.00 PRO +ATOM 3510 HH12 ARG 251 -0.249 -12.685 2.367 1.00 0.00 PRO +ATOM 3511 NH2 ARG 251 -2.273 -11.908 3.466 1.00 0.00 PRO +ATOM 3512 HH21 ARG 251 -3.085 -11.648 4.020 1.00 0.00 PRO +ATOM 3513 HH22 ARG 251 -1.844 -11.219 2.878 1.00 0.00 PRO +ATOM 3514 C ARG 251 0.303 -15.794 8.753 1.00 0.00 PRO +ATOM 3515 O ARG 251 0.521 -14.605 8.952 1.00 0.00 PRO +ATOM 3516 N TYR 252 -0.333 -16.537 9.675 1.00 0.00 PRO +ATOM 3517 HN TYR 252 -0.429 -17.520 9.549 1.00 0.00 PRO +ATOM 3518 CA TYR 252 -1.034 -15.968 10.817 1.00 0.00 PRO +ATOM 3519 HA TYR 252 -1.201 -14.909 10.656 1.00 0.00 PRO +ATOM 3520 CB TYR 252 -2.400 -16.672 11.013 1.00 0.00 PRO +ATOM 3521 HB1 TYR 252 -3.008 -16.146 11.782 1.00 0.00 PRO +ATOM 3522 HB2 TYR 252 -2.267 -17.732 11.322 1.00 0.00 PRO +ATOM 3523 CG TYR 252 -3.159 -16.641 9.712 1.00 0.00 PRO +ATOM 3524 CD1 TYR 252 -3.805 -15.463 9.308 1.00 0.00 PRO +ATOM 3525 HD1 TYR 252 -3.765 -14.579 9.926 1.00 0.00 PRO +ATOM 3526 CE1 TYR 252 -4.514 -15.416 8.104 1.00 0.00 PRO +ATOM 3527 HE1 TYR 252 -5.016 -14.502 7.822 1.00 0.00 PRO +ATOM 3528 CZ TYR 252 -4.589 -16.545 7.286 1.00 0.00 PRO +ATOM 3529 OH TYR 252 -5.338 -16.500 6.093 1.00 0.00 PRO +ATOM 3530 HH TYR 252 -5.690 -15.576 5.985 1.00 0.00 PRO +ATOM 3531 CD2 TYR 252 -3.228 -17.774 8.880 1.00 0.00 PRO +ATOM 3532 HD2 TYR 252 -2.730 -18.684 9.182 1.00 0.00 PRO +ATOM 3533 CE2 TYR 252 -3.934 -17.725 7.668 1.00 0.00 PRO +ATOM 3534 HE2 TYR 252 -3.990 -18.597 7.034 1.00 0.00 PRO +ATOM 3535 C TYR 252 -0.193 -16.113 12.074 1.00 0.00 PRO +ATOM 3536 O TYR 252 -0.675 -16.023 13.209 1.00 0.00 PRO +ATOM 3537 N GLY 253 1.121 -16.353 11.900 1.00 0.00 PRO +ATOM 3538 HN GLY 253 1.461 -16.429 10.959 1.00 0.00 PRO +ATOM 3539 CA GLY 253 2.075 -16.527 12.986 1.00 0.00 PRO +ATOM 3540 HA1 GLY 253 2.986 -16.905 12.545 1.00 0.00 PRO +ATOM 3541 HA2 GLY 253 1.651 -17.196 13.719 1.00 0.00 PRO +ATOM 3542 C GLY 253 2.440 -15.252 13.697 1.00 0.00 PRO +ATOM 3543 O GLY 253 2.830 -15.275 14.865 1.00 0.00 PRO +ATOM 3544 N GLY 254 2.348 -14.115 12.986 1.00 0.00 PRO +ATOM 3545 HN GLY 254 1.949 -14.133 12.071 1.00 0.00 PRO +ATOM 3546 CA GLY 254 2.837 -12.823 13.436 1.00 0.00 PRO +ATOM 3547 HA1 GLY 254 2.921 -12.201 12.558 1.00 0.00 PRO +ATOM 3548 HA2 GLY 254 3.788 -12.984 13.916 1.00 0.00 PRO +ATOM 3549 C GLY 254 2.010 -12.065 14.434 1.00 0.00 PRO +ATOM 3550 O GLY 254 0.935 -12.480 14.891 1.00 0.00 PRO +ATOM 3551 N THR 255 2.533 -10.881 14.801 1.00 0.00 PRO +ATOM 3552 HN THR 255 3.414 -10.568 14.441 1.00 0.00 PRO +ATOM 3553 CA THR 255 1.919 -9.917 15.706 1.00 0.00 PRO +ATOM 3554 HA THR 255 1.410 -10.461 16.487 1.00 0.00 PRO +ATOM 3555 CB THR 255 2.934 -8.966 16.354 1.00 0.00 PRO +ATOM 3556 HB THR 255 2.495 -7.968 16.597 1.00 0.00 PRO +ATOM 3557 OG1 THR 255 4.083 -8.792 15.534 1.00 0.00 PRO +ATOM 3558 HG1 THR 255 4.529 -7.990 15.862 1.00 0.00 PRO +ATOM 3559 CG2 THR 255 3.431 -9.602 17.659 1.00 0.00 PRO +ATOM 3560 HG21 THR 255 3.851 -10.611 17.467 1.00 0.00 PRO +ATOM 3561 HG22 THR 255 2.593 -9.698 18.380 1.00 0.00 PRO +ATOM 3562 HG23 THR 255 4.213 -8.958 18.117 1.00 0.00 PRO +ATOM 3563 C THR 255 0.865 -9.086 15.014 1.00 0.00 PRO +ATOM 3564 O THR 255 -0.028 -8.533 15.658 1.00 0.00 PRO +ATOM 3565 N CYS 256 0.925 -9.011 13.676 1.00 0.00 PRO +ATOM 3566 HN CYS 256 1.665 -9.465 13.185 1.00 0.00 PRO +ATOM 3567 CA CYS 256 -0.067 -8.359 12.849 1.00 0.00 PRO +ATOM 3568 HA CYS 256 -0.632 -7.655 13.440 1.00 0.00 PRO +ATOM 3569 CB CYS 256 0.573 -7.614 11.656 1.00 0.00 PRO +ATOM 3570 HB1 CYS 256 -0.193 -7.349 10.894 1.00 0.00 PRO +ATOM 3571 HB2 CYS 256 1.311 -8.278 11.156 1.00 0.00 PRO +ATOM 3572 SG CYS 256 1.375 -6.068 12.148 1.00 0.00 PRO +ATOM 3573 C CYS 256 -1.069 -9.348 12.311 1.00 0.00 PRO +ATOM 3574 O CYS 256 -0.822 -10.554 12.227 1.00 0.00 PRO +ATOM 3575 N ASP 257 -2.249 -8.842 11.948 1.00 0.00 PRO +ATOM 3576 HN ASP 257 -2.466 -7.872 12.073 1.00 0.00 PRO +ATOM 3577 CA ASP 257 -3.255 -9.552 11.205 1.00 0.00 PRO +ATOM 3578 HA ASP 257 -3.196 -10.611 11.399 1.00 0.00 PRO +ATOM 3579 CB ASP 257 -4.632 -9.037 11.677 1.00 0.00 PRO +ATOM 3580 HB1 ASP 257 -4.610 -7.924 11.680 1.00 0.00 PRO +ATOM 3581 HB2 ASP 257 -4.846 -9.377 12.709 1.00 0.00 PRO +ATOM 3582 CG ASP 257 -5.792 -9.441 10.789 1.00 0.00 PRO +ATOM 3583 OD1 ASP 257 -5.701 -10.520 10.107 1.00 0.00 PRO +ATOM 3584 OD2 ASP 257 -6.802 -8.739 10.836 1.00 0.00 PRO +ATOM 3585 C ASP 257 -3.021 -9.242 9.718 1.00 0.00 PRO +ATOM 3586 O ASP 257 -3.034 -8.070 9.376 1.00 0.00 PRO +ATOM 3587 N PRO 258 -2.809 -10.199 8.821 1.00 0.00 PRO +ATOM 3588 CD PRO 258 -2.486 -11.584 9.172 1.00 0.00 PRO +ATOM 3589 HD1 PRO 258 -3.395 -12.104 9.549 1.00 0.00 PRO +ATOM 3590 HD2 PRO 258 -1.682 -11.598 9.943 1.00 0.00 PRO +ATOM 3591 CA PRO 258 -2.387 -9.862 7.467 1.00 0.00 PRO +ATOM 3592 HA PRO 258 -1.950 -8.873 7.409 1.00 0.00 PRO +ATOM 3593 CB PRO 258 -1.402 -10.994 7.135 1.00 0.00 PRO +ATOM 3594 HB1 PRO 258 -0.406 -10.717 7.540 1.00 0.00 PRO +ATOM 3595 HB2 PRO 258 -1.301 -11.174 6.045 1.00 0.00 PRO +ATOM 3596 CG PRO 258 -1.971 -12.204 7.877 1.00 0.00 PRO +ATOM 3597 HG1 PRO 258 -2.830 -12.625 7.304 1.00 0.00 PRO +ATOM 3598 HG2 PRO 258 -1.217 -12.993 8.050 1.00 0.00 PRO +ATOM 3599 C PRO 258 -3.565 -9.911 6.522 1.00 0.00 PRO +ATOM 3600 O PRO 258 -3.359 -9.617 5.339 1.00 0.00 PRO +ATOM 3601 N ASP 259 -4.765 -10.309 6.968 1.00 0.00 PRO +ATOM 3602 HN ASP 259 -4.911 -10.546 7.931 1.00 0.00 PRO +ATOM 3603 CA ASP 259 -5.912 -10.437 6.085 1.00 0.00 PRO +ATOM 3604 HA ASP 259 -5.610 -10.369 5.049 1.00 0.00 PRO +ATOM 3605 CB ASP 259 -6.639 -11.802 6.306 1.00 0.00 PRO +ATOM 3606 HB1 ASP 259 -7.629 -11.770 5.802 1.00 0.00 PRO +ATOM 3607 HB2 ASP 259 -6.822 -11.952 7.389 1.00 0.00 PRO +ATOM 3608 CG ASP 259 -5.870 -13.004 5.755 1.00 0.00 PRO +ATOM 3609 OD1 ASP 259 -4.703 -12.885 5.295 1.00 0.00 PRO +ATOM 3610 OD2 ASP 259 -6.434 -14.137 5.809 1.00 0.00 PRO +ATOM 3611 C ASP 259 -6.851 -9.262 6.314 1.00 0.00 PRO +ATOM 3612 O ASP 259 -7.370 -8.686 5.346 1.00 0.00 PRO +ATOM 3613 N GLY 260 -7.021 -8.813 7.576 1.00 0.00 PRO +ATOM 3614 HN GLY 260 -6.575 -9.271 8.350 1.00 0.00 PRO +ATOM 3615 CA GLY 260 -7.945 -7.753 7.953 1.00 0.00 PRO +ATOM 3616 HA1 GLY 260 -7.709 -6.879 7.365 1.00 0.00 PRO +ATOM 3617 HA2 GLY 260 -7.817 -7.570 9.005 1.00 0.00 PRO +ATOM 3618 C GLY 260 -9.402 -8.069 7.754 1.00 0.00 PRO +ATOM 3619 O GLY 260 -9.796 -9.194 7.435 1.00 0.00 PRO +ATOM 3620 N CYS 261 -10.264 -7.075 7.983 1.00 0.00 PRO +ATOM 3621 HN CYS 261 -9.896 -6.181 8.228 1.00 0.00 PRO +ATOM 3622 CA CYS 261 -11.707 -7.191 7.833 1.00 0.00 PRO +ATOM 3623 HA CYS 261 -12.007 -8.228 7.747 1.00 0.00 PRO +ATOM 3624 CB CYS 261 -12.397 -6.540 9.071 1.00 0.00 PRO +ATOM 3625 HB1 CYS 261 -11.990 -5.516 9.202 1.00 0.00 PRO +ATOM 3626 HB2 CYS 261 -12.085 -7.140 9.953 1.00 0.00 PRO +ATOM 3627 SG CYS 261 -14.213 -6.448 9.028 1.00 0.00 PRO +ATOM 3628 C CYS 261 -12.084 -6.512 6.529 1.00 0.00 PRO +ATOM 3629 O CYS 261 -12.555 -5.377 6.516 1.00 0.00 PRO +ATOM 3630 N ASP 262 -11.773 -7.170 5.385 1.00 0.00 PRO +ATOM 3631 HN ASP 262 -11.470 -8.125 5.381 1.00 0.00 PRO +ATOM 3632 CA ASP 262 -11.914 -6.579 4.077 1.00 0.00 PRO +ATOM 3633 HA ASP 262 -11.525 -5.570 4.170 1.00 0.00 PRO +ATOM 3634 CB ASP 262 -11.018 -7.247 2.977 1.00 0.00 PRO +ATOM 3635 HB1 ASP 262 -9.977 -7.251 3.369 1.00 0.00 PRO +ATOM 3636 HB2 ASP 262 -11.026 -6.624 2.062 1.00 0.00 PRO +ATOM 3637 CG ASP 262 -11.344 -8.688 2.599 1.00 0.00 PRO +ATOM 3638 OD1 ASP 262 -11.258 -9.575 3.474 1.00 0.00 PRO +ATOM 3639 OD2 ASP 262 -11.594 -8.974 1.387 1.00 0.00 PRO +ATOM 3640 C ASP 262 -13.354 -6.396 3.640 1.00 0.00 PRO +ATOM 3641 O ASP 262 -14.209 -7.300 3.669 1.00 0.00 PRO +ATOM 3642 N TRP 263 -13.709 -5.198 3.185 1.00 0.00 PRO +ATOM 3643 HN TRP 263 -13.048 -4.437 3.241 1.00 0.00 PRO +ATOM 3644 CA TRP 263 -14.993 -4.965 2.578 1.00 0.00 PRO +ATOM 3645 HA TRP 263 -15.661 -5.803 2.744 1.00 0.00 PRO +ATOM 3646 CB TRP 263 -15.662 -3.684 3.143 1.00 0.00 PRO +ATOM 3647 HB1 TRP 263 -15.055 -2.794 2.875 1.00 0.00 PRO +ATOM 3648 HB2 TRP 263 -15.610 -3.792 4.251 1.00 0.00 PRO +ATOM 3649 CG TRP 263 -17.095 -3.472 2.752 1.00 0.00 PRO +ATOM 3650 CD1 TRP 263 -17.606 -3.306 1.486 1.00 0.00 PRO +ATOM 3651 HD1 TRP 263 -16.996 -3.272 0.590 1.00 0.00 PRO +ATOM 3652 NE1 TRP 263 -18.975 -3.208 1.551 1.00 0.00 PRO +ATOM 3653 HE1 TRP 263 -19.599 -3.140 0.800 1.00 0.00 PRO +ATOM 3654 CE2 TRP 263 -19.379 -3.297 2.850 1.00 0.00 PRO +ATOM 3655 CD2 TRP 263 -18.219 -3.440 3.647 1.00 0.00 PRO +ATOM 3656 CE3 TRP 263 -18.345 -3.515 5.033 1.00 0.00 PRO +ATOM 3657 HE3 TRP 263 -17.475 -3.647 5.659 1.00 0.00 PRO +ATOM 3658 CZ3 TRP 263 -19.624 -3.482 5.594 1.00 0.00 PRO +ATOM 3659 HZ3 TRP 263 -19.733 -3.581 6.666 1.00 0.00 PRO +ATOM 3660 CZ2 TRP 263 -20.648 -3.278 3.406 1.00 0.00 PRO +ATOM 3661 HZ2 TRP 263 -21.530 -3.218 2.788 1.00 0.00 PRO +ATOM 3662 CH2 TRP 263 -20.757 -3.384 4.794 1.00 0.00 PRO +ATOM 3663 HH2 TRP 263 -21.733 -3.410 5.260 1.00 0.00 PRO +ATOM 3664 C TRP 263 -14.747 -4.839 1.092 1.00 0.00 PRO +ATOM 3665 O TRP 263 -14.223 -3.845 0.610 1.00 0.00 PRO +ATOM 3666 N ASN 264 -15.168 -5.862 0.328 1.00 0.00 PRO +ATOM 3667 HN ASN 264 -15.548 -6.672 0.765 1.00 0.00 PRO +ATOM 3668 CA ASN 264 -15.092 -5.865 -1.116 1.00 0.00 PRO +ATOM 3669 HA ASN 264 -14.710 -4.924 -1.478 1.00 0.00 PRO +ATOM 3670 CB ASN 264 -14.083 -6.957 -1.592 1.00 0.00 PRO +ATOM 3671 HB1 ASN 264 -14.324 -7.911 -1.084 1.00 0.00 PRO +ATOM 3672 HB2 ASN 264 -13.074 -6.642 -1.248 1.00 0.00 PRO +ATOM 3673 CG ASN 264 -14.055 -7.227 -3.103 1.00 0.00 PRO +ATOM 3674 OD1 ASN 264 -14.990 -7.007 -3.854 1.00 0.00 PRO +ATOM 3675 ND2 ASN 264 -12.899 -7.786 -3.565 1.00 0.00 PRO +ATOM 3676 HD21 ASN 264 -12.819 -7.962 -4.539 1.00 0.00 PRO +ATOM 3677 HD22 ASN 264 -12.143 -7.941 -2.935 1.00 0.00 PRO +ATOM 3678 C ASN 264 -16.532 -6.077 -1.592 1.00 0.00 PRO +ATOM 3679 O ASN 264 -17.110 -7.109 -1.274 1.00 0.00 PRO +ATOM 3680 N PRO 265 -17.177 -5.169 -2.336 1.00 0.00 PRO +ATOM 3681 CD PRO 265 -16.729 -3.777 -2.473 1.00 0.00 PRO +ATOM 3682 HD1 PRO 265 -16.029 -3.707 -3.335 1.00 0.00 PRO +ATOM 3683 HD2 PRO 265 -16.207 -3.399 -1.564 1.00 0.00 PRO +ATOM 3684 CA PRO 265 -18.606 -5.303 -2.614 1.00 0.00 PRO +ATOM 3685 HA PRO 265 -19.116 -5.427 -1.670 1.00 0.00 PRO +ATOM 3686 CB PRO 265 -18.963 -3.990 -3.331 1.00 0.00 PRO +ATOM 3687 HB1 PRO 265 -20.028 -3.718 -3.199 1.00 0.00 PRO +ATOM 3688 HB2 PRO 265 -18.733 -4.067 -4.418 1.00 0.00 PRO +ATOM 3689 CG PRO 265 -18.005 -2.965 -2.719 1.00 0.00 PRO +ATOM 3690 HG1 PRO 265 -17.806 -2.100 -3.386 1.00 0.00 PRO +ATOM 3691 HG2 PRO 265 -18.400 -2.591 -1.750 1.00 0.00 PRO +ATOM 3692 C PRO 265 -18.946 -6.496 -3.485 1.00 0.00 PRO +ATOM 3693 O PRO 265 -20.034 -7.064 -3.319 1.00 0.00 PRO +ATOM 3694 N TYR 266 -18.057 -6.893 -4.420 1.00 0.00 PRO +ATOM 3695 HN TYR 266 -17.192 -6.385 -4.517 1.00 0.00 PRO +ATOM 3696 CA TYR 266 -18.222 -8.076 -5.252 1.00 0.00 PRO +ATOM 3697 HA TYR 266 -19.173 -7.987 -5.757 1.00 0.00 PRO +ATOM 3698 CB TYR 266 -17.067 -8.185 -6.289 1.00 0.00 PRO +ATOM 3699 HB1 TYR 266 -16.123 -8.541 -5.820 1.00 0.00 PRO +ATOM 3700 HB2 TYR 266 -16.855 -7.167 -6.684 1.00 0.00 PRO +ATOM 3701 CG TYR 266 -17.415 -9.093 -7.454 1.00 0.00 PRO +ATOM 3702 CD1 TYR 266 -17.378 -10.496 -7.345 1.00 0.00 PRO +ATOM 3703 HD1 TYR 266 -17.120 -10.950 -6.399 1.00 0.00 PRO +ATOM 3704 CE1 TYR 266 -17.663 -11.309 -8.454 1.00 0.00 PRO +ATOM 3705 HE1 TYR 266 -17.647 -12.382 -8.352 1.00 0.00 PRO +ATOM 3706 CZ TYR 266 -17.951 -10.728 -9.693 1.00 0.00 PRO +ATOM 3707 OH TYR 266 -18.203 -11.550 -10.811 1.00 0.00 PRO +ATOM 3708 HH TYR 266 -18.226 -12.451 -10.483 1.00 0.00 PRO +ATOM 3709 CD2 TYR 266 -17.729 -8.530 -8.704 1.00 0.00 PRO +ATOM 3710 HD2 TYR 266 -17.765 -7.457 -8.803 1.00 0.00 PRO +ATOM 3711 CE2 TYR 266 -17.987 -9.338 -9.819 1.00 0.00 PRO +ATOM 3712 HE2 TYR 266 -18.218 -8.887 -10.772 1.00 0.00 PRO +ATOM 3713 C TYR 266 -18.257 -9.333 -4.390 1.00 0.00 PRO +ATOM 3714 O TYR 266 -19.099 -10.214 -4.558 1.00 0.00 PRO +ATOM 3715 N ARG 267 -17.355 -9.398 -3.388 1.00 0.00 PRO +ATOM 3716 HN ARG 267 -16.752 -8.610 -3.243 1.00 0.00 PRO +ATOM 3717 CA ARG 267 -17.162 -10.528 -2.495 1.00 0.00 PRO +ATOM 3718 HA ARG 267 -17.077 -11.424 -3.092 1.00 0.00 PRO +ATOM 3719 CB ARG 267 -15.861 -10.300 -1.677 1.00 0.00 PRO +ATOM 3720 HB1 ARG 267 -16.011 -9.450 -0.974 1.00 0.00 PRO +ATOM 3721 HB2 ARG 267 -15.062 -10.000 -2.393 1.00 0.00 PRO +ATOM 3722 CG ARG 267 -15.359 -11.528 -0.887 1.00 0.00 PRO +ATOM 3723 HG1 ARG 267 -15.191 -12.355 -1.612 1.00 0.00 PRO +ATOM 3724 HG2 ARG 267 -16.151 -11.853 -0.175 1.00 0.00 PRO +ATOM 3725 CD ARG 267 -14.072 -11.261 -0.075 1.00 0.00 PRO +ATOM 3726 HD1 ARG 267 -14.269 -10.504 0.717 1.00 0.00 PRO +ATOM 3727 HD2 ARG 267 -13.249 -10.892 -0.728 1.00 0.00 PRO +ATOM 3728 NE ARG 267 -13.668 -12.580 0.505 1.00 0.00 PRO +ATOM 3729 HE ARG 267 -13.830 -13.419 0.018 1.00 0.00 PRO +ATOM 3730 CZ ARG 267 -13.100 -12.691 1.734 1.00 0.00 PRO +ATOM 3731 NH1 ARG 267 -12.771 -11.712 2.484 1.00 0.00 PRO +ATOM 3732 HH11 ARG 267 -12.396 -11.778 3.425 1.00 0.00 PRO +ATOM 3733 HH12 ARG 267 -12.737 -10.730 2.220 1.00 0.00 PRO +ATOM 3734 NH2 ARG 267 -12.901 -13.934 2.162 1.00 0.00 PRO +ATOM 3735 HH21 ARG 267 -13.214 -14.692 1.639 1.00 0.00 PRO +ATOM 3736 HH22 ARG 267 -12.471 -14.001 3.070 1.00 0.00 PRO +ATOM 3737 C ARG 267 -18.357 -10.710 -1.564 1.00 0.00 PRO +ATOM 3738 O ARG 267 -18.687 -11.810 -1.129 1.00 0.00 PRO +ATOM 3739 N LEU 268 -19.093 -9.609 -1.318 1.00 0.00 PRO +ATOM 3740 HN LEU 268 -18.777 -8.730 -1.674 1.00 0.00 PRO +ATOM 3741 CA LEU 268 -20.270 -9.578 -0.479 1.00 0.00 PRO +ATOM 3742 HA LEU 268 -20.247 -10.410 0.210 1.00 0.00 PRO +ATOM 3743 CB LEU 268 -20.280 -8.258 0.328 1.00 0.00 PRO +ATOM 3744 HB1 LEU 268 -21.225 -8.164 0.903 1.00 0.00 PRO +ATOM 3745 HB2 LEU 268 -20.215 -7.402 -0.378 1.00 0.00 PRO +ATOM 3746 CG LEU 268 -19.104 -8.157 1.324 1.00 0.00 PRO +ATOM 3747 HG LEU 268 -18.148 -8.372 0.788 1.00 0.00 PRO +ATOM 3748 CD1 LEU 268 -18.970 -6.735 1.886 1.00 0.00 PRO +ATOM 3749 HD11 LEU 268 -19.830 -6.475 2.534 1.00 0.00 PRO +ATOM 3750 HD12 LEU 268 -18.891 -5.995 1.065 1.00 0.00 PRO +ATOM 3751 HD13 LEU 268 -18.050 -6.654 2.504 1.00 0.00 PRO +ATOM 3752 CD2 LEU 268 -19.236 -9.185 2.458 1.00 0.00 PRO +ATOM 3753 HD21 LEU 268 -19.236 -10.221 2.067 1.00 0.00 PRO +ATOM 3754 HD22 LEU 268 -20.170 -9.016 3.032 1.00 0.00 PRO +ATOM 3755 HD23 LEU 268 -18.376 -9.097 3.157 1.00 0.00 PRO +ATOM 3756 C LEU 268 -21.550 -9.742 -1.294 1.00 0.00 PRO +ATOM 3757 O LEU 268 -22.657 -9.772 -0.776 1.00 0.00 PRO +ATOM 3758 N GLY 269 -21.406 -9.947 -2.624 1.00 0.00 PRO +ATOM 3759 HN GLY 269 -20.493 -9.860 -3.028 1.00 0.00 PRO +ATOM 3760 CA GLY 269 -22.469 -10.450 -3.483 1.00 0.00 PRO +ATOM 3761 HA1 GLY 269 -23.282 -10.835 -2.883 1.00 0.00 PRO +ATOM 3762 HA2 GLY 269 -22.033 -11.216 -4.110 1.00 0.00 PRO +ATOM 3763 C GLY 269 -23.081 -9.436 -4.404 1.00 0.00 PRO +ATOM 3764 O GLY 269 -23.983 -9.755 -5.163 1.00 0.00 PRO +ATOM 3765 N ASN 270 -22.609 -8.169 -4.370 1.00 0.00 PRO +ATOM 3766 HN ASN 270 -21.858 -7.917 -3.759 1.00 0.00 PRO +ATOM 3767 CA ASN 270 -23.082 -7.166 -5.305 1.00 0.00 PRO +ATOM 3768 HA ASN 270 -24.029 -7.486 -5.723 1.00 0.00 PRO +ATOM 3769 CB ASN 270 -23.316 -5.800 -4.605 1.00 0.00 PRO +ATOM 3770 HB1 ASN 270 -22.344 -5.347 -4.317 1.00 0.00 PRO +ATOM 3771 HB2 ASN 270 -23.907 -5.983 -3.684 1.00 0.00 PRO +ATOM 3772 CG ASN 270 -24.095 -4.840 -5.507 1.00 0.00 PRO +ATOM 3773 OD1 ASN 270 -24.391 -5.101 -6.671 1.00 0.00 PRO +ATOM 3774 ND2 ASN 270 -24.486 -3.685 -4.923 1.00 0.00 PRO +ATOM 3775 HD21 ASN 270 -24.926 -3.004 -5.526 1.00 0.00 PRO +ATOM 3776 HD22 ASN 270 -24.209 -3.490 -3.998 1.00 0.00 PRO +ATOM 3777 C ASN 270 -22.104 -7.062 -6.462 1.00 0.00 PRO +ATOM 3778 O ASN 270 -21.100 -6.345 -6.417 1.00 0.00 PRO +ATOM 3779 N THR 271 -22.397 -7.748 -7.570 1.00 0.00 PRO +ATOM 3780 HN THR 271 -23.214 -8.324 -7.617 1.00 0.00 PRO +ATOM 3781 CA THR 271 -21.454 -7.926 -8.668 1.00 0.00 PRO +ATOM 3782 HA THR 271 -20.441 -7.806 -8.308 1.00 0.00 PRO +ATOM 3783 CB THR 271 -21.601 -9.307 -9.287 1.00 0.00 PRO +ATOM 3784 HB THR 271 -20.891 -9.446 -10.140 1.00 0.00 PRO +ATOM 3785 OG1 THR 271 -22.941 -9.554 -9.709 1.00 0.00 PRO +ATOM 3786 HG1 THR 271 -23.122 -8.922 -10.410 1.00 0.00 PRO +ATOM 3787 CG2 THR 271 -21.271 -10.359 -8.222 1.00 0.00 PRO +ATOM 3788 HG21 THR 271 -22.023 -10.368 -7.406 1.00 0.00 PRO +ATOM 3789 HG22 THR 271 -20.273 -10.172 -7.774 1.00 0.00 PRO +ATOM 3790 HG23 THR 271 -21.260 -11.362 -8.696 1.00 0.00 PRO +ATOM 3791 C THR 271 -21.691 -6.907 -9.755 1.00 0.00 PRO +ATOM 3792 O THR 271 -21.091 -6.960 -10.835 1.00 0.00 PRO +ATOM 3793 N SER 272 -22.616 -5.970 -9.525 1.00 0.00 PRO +ATOM 3794 HN SER 272 -23.124 -5.998 -8.662 1.00 0.00 PRO +ATOM 3795 CA SER 272 -22.973 -4.936 -10.481 1.00 0.00 PRO +ATOM 3796 HA SER 272 -22.416 -5.057 -11.401 1.00 0.00 PRO +ATOM 3797 CB SER 272 -24.489 -4.961 -10.816 1.00 0.00 PRO +ATOM 3798 HB1 SER 272 -24.754 -4.135 -11.514 1.00 0.00 PRO +ATOM 3799 HB2 SER 272 -25.079 -4.823 -9.880 1.00 0.00 PRO +ATOM 3800 OG SER 272 -24.851 -6.208 -11.421 1.00 0.00 PRO +ATOM 3801 HG1 SER 272 -24.337 -6.265 -12.238 1.00 0.00 PRO +ATOM 3802 C SER 272 -22.624 -3.568 -9.947 1.00 0.00 PRO +ATOM 3803 O SER 272 -22.855 -2.560 -10.612 1.00 0.00 PRO +ATOM 3804 N PHE 273 -22.043 -3.473 -8.733 1.00 0.00 PRO +ATOM 3805 HN PHE 273 -21.828 -4.288 -8.199 1.00 0.00 PRO +ATOM 3806 CA PHE 273 -21.651 -2.193 -8.173 1.00 0.00 PRO +ATOM 3807 HA PHE 273 -22.496 -1.528 -8.296 1.00 0.00 PRO +ATOM 3808 CB PHE 273 -21.360 -2.314 -6.649 1.00 0.00 PRO +ATOM 3809 HB1 PHE 273 -20.514 -3.013 -6.463 1.00 0.00 PRO +ATOM 3810 HB2 PHE 273 -22.254 -2.709 -6.130 1.00 0.00 PRO +ATOM 3811 CG PHE 273 -21.040 -0.968 -6.040 1.00 0.00 PRO +ATOM 3812 CD1 PHE 273 -22.000 0.059 -6.085 1.00 0.00 PRO +ATOM 3813 HD1 PHE 273 -22.958 -0.125 -6.548 1.00 0.00 PRO +ATOM 3814 CE1 PHE 273 -21.723 1.320 -5.547 1.00 0.00 PRO +ATOM 3815 HE1 PHE 273 -22.462 2.107 -5.596 1.00 0.00 PRO +ATOM 3816 CZ PHE 273 -20.485 1.559 -4.942 1.00 0.00 PRO +ATOM 3817 HZ PHE 273 -20.269 2.530 -4.526 1.00 0.00 PRO +ATOM 3818 CD2 PHE 273 -19.800 -0.714 -5.431 1.00 0.00 PRO +ATOM 3819 HD2 PHE 273 -19.046 -1.486 -5.387 1.00 0.00 PRO +ATOM 3820 CE2 PHE 273 -19.521 0.544 -4.884 1.00 0.00 PRO +ATOM 3821 HE2 PHE 273 -18.557 0.725 -4.423 1.00 0.00 PRO +ATOM 3822 C PHE 273 -20.489 -1.517 -8.904 1.00 0.00 PRO +ATOM 3823 O PHE 273 -20.505 -0.325 -9.181 1.00 0.00 PRO +ATOM 3824 N TYR 274 -19.449 -2.289 -9.242 1.00 0.00 PRO +ATOM 3825 HN TYR 274 -19.466 -3.277 -9.126 1.00 0.00 PRO +ATOM 3826 CA TYR 274 -18.179 -1.722 -9.622 1.00 0.00 PRO +ATOM 3827 HA TYR 274 -18.306 -0.727 -10.033 1.00 0.00 PRO +ATOM 3828 CB TYR 274 -17.260 -1.683 -8.367 1.00 0.00 PRO +ATOM 3829 HB1 TYR 274 -17.140 -2.703 -7.950 1.00 0.00 PRO +ATOM 3830 HB2 TYR 274 -17.755 -1.072 -7.582 1.00 0.00 PRO +ATOM 3831 CG TYR 274 -15.887 -1.109 -8.604 1.00 0.00 PRO +ATOM 3832 CD1 TYR 274 -15.658 0.259 -8.385 1.00 0.00 PRO +ATOM 3833 HD1 TYR 274 -16.482 0.902 -8.114 1.00 0.00 PRO +ATOM 3834 CE1 TYR 274 -14.362 0.787 -8.461 1.00 0.00 PRO +ATOM 3835 HE1 TYR 274 -14.192 1.835 -8.273 1.00 0.00 PRO +ATOM 3836 CZ TYR 274 -13.284 -0.054 -8.754 1.00 0.00 PRO +ATOM 3837 OH TYR 274 -11.979 0.462 -8.818 1.00 0.00 PRO +ATOM 3838 HH TYR 274 -11.386 -0.282 -8.996 1.00 0.00 PRO +ATOM 3839 CD2 TYR 274 -14.794 -1.941 -8.908 1.00 0.00 PRO +ATOM 3840 HD2 TYR 274 -14.942 -3.001 -9.053 1.00 0.00 PRO +ATOM 3841 CE2 TYR 274 -13.497 -1.415 -8.987 1.00 0.00 PRO +ATOM 3842 HE2 TYR 274 -12.662 -2.064 -9.206 1.00 0.00 PRO +ATOM 3843 C TYR 274 -17.610 -2.586 -10.715 1.00 0.00 PRO +ATOM 3844 O TYR 274 -17.636 -3.818 -10.612 1.00 0.00 PRO +ATOM 3845 N GLY 275 -17.110 -1.974 -11.795 1.00 0.00 PRO +ATOM 3846 HN GLY 275 -17.156 -0.978 -11.889 1.00 0.00 PRO +ATOM 3847 CA GLY 275 -16.546 -2.708 -12.911 1.00 0.00 PRO +ATOM 3848 HA1 GLY 275 -17.100 -3.623 -13.064 1.00 0.00 PRO +ATOM 3849 HA2 GLY 275 -15.503 -2.855 -12.680 1.00 0.00 PRO +ATOM 3850 C GLY 275 -16.645 -1.893 -14.181 1.00 0.00 PRO +ATOM 3851 O GLY 275 -17.125 -0.776 -14.159 1.00 0.00 PRO +ATOM 3852 N PRO 276 -16.167 -2.412 -15.315 1.00 0.00 PRO +ATOM 3853 CD PRO 276 -15.390 -3.646 -15.406 1.00 0.00 PRO +ATOM 3854 HD1 PRO 276 -16.022 -4.409 -15.909 1.00 0.00 PRO +ATOM 3855 HD2 PRO 276 -15.033 -4.047 -14.429 1.00 0.00 PRO +ATOM 3856 CA PRO 276 -15.941 -1.545 -16.468 1.00 0.00 PRO +ATOM 3857 HA PRO 276 -15.670 -0.553 -16.141 1.00 0.00 PRO +ATOM 3858 CB PRO 276 -14.777 -2.213 -17.236 1.00 0.00 PRO +ATOM 3859 HB1 PRO 276 -14.013 -1.459 -17.521 1.00 0.00 PRO +ATOM 3860 HB2 PRO 276 -15.117 -2.742 -18.150 1.00 0.00 PRO +ATOM 3861 CG PRO 276 -14.198 -3.257 -16.277 1.00 0.00 PRO +ATOM 3862 HG1 PRO 276 -13.751 -4.123 -16.804 1.00 0.00 PRO +ATOM 3863 HG2 PRO 276 -13.422 -2.780 -15.639 1.00 0.00 PRO +ATOM 3864 C PRO 276 -17.154 -1.437 -17.361 1.00 0.00 PRO +ATOM 3865 O PRO 276 -17.628 -2.448 -17.875 1.00 0.00 PRO +ATOM 3866 N GLY 277 -17.628 -0.206 -17.638 1.00 0.00 PRO +ATOM 3867 HN GLY 277 -17.258 0.615 -17.194 1.00 0.00 PRO +ATOM 3868 CA GLY 277 -18.750 0.020 -18.529 1.00 0.00 PRO +ATOM 3869 HA1 GLY 277 -19.044 -0.895 -19.026 1.00 0.00 PRO +ATOM 3870 HA2 GLY 277 -18.459 0.801 -19.216 1.00 0.00 PRO +ATOM 3871 C GLY 277 -19.951 0.506 -17.793 1.00 0.00 PRO +ATOM 3872 O GLY 277 -20.017 0.563 -16.560 1.00 0.00 PRO +ATOM 3873 N SER 278 -21.002 0.846 -18.538 1.00 0.00 PRO +ATOM 3874 HN SER 278 -20.981 0.751 -19.535 1.00 0.00 PRO +ATOM 3875 CA SER 278 -22.183 1.496 -18.004 1.00 0.00 PRO +ATOM 3876 HA SER 278 -21.905 2.080 -17.135 1.00 0.00 PRO +ATOM 3877 CB SER 278 -22.793 2.447 -19.058 1.00 0.00 PRO +ATOM 3878 HB1 SER 278 -22.045 3.250 -19.254 1.00 0.00 PRO +ATOM 3879 HB2 SER 278 -23.724 2.929 -18.686 1.00 0.00 PRO +ATOM 3880 OG SER 278 -23.031 1.765 -20.290 1.00 0.00 PRO +ATOM 3881 HG1 SER 278 -23.795 1.193 -20.138 1.00 0.00 PRO +ATOM 3882 C SER 278 -23.229 0.495 -17.547 1.00 0.00 PRO +ATOM 3883 O SER 278 -24.392 0.812 -17.343 1.00 0.00 PRO +ATOM 3884 N SER 279 -22.796 -0.761 -17.350 1.00 0.00 PRO +ATOM 3885 HN SER 279 -21.857 -1.009 -17.578 1.00 0.00 PRO +ATOM 3886 CA SER 279 -23.573 -1.840 -16.784 1.00 0.00 PRO +ATOM 3887 HA SER 279 -24.628 -1.655 -16.924 1.00 0.00 PRO +ATOM 3888 CB SER 279 -23.165 -3.182 -17.445 1.00 0.00 PRO +ATOM 3889 HB1 SER 279 -23.566 -3.189 -18.484 1.00 0.00 PRO +ATOM 3890 HB2 SER 279 -23.591 -4.056 -16.908 1.00 0.00 PRO +ATOM 3891 OG SER 279 -21.743 -3.314 -17.531 1.00 0.00 PRO +ATOM 3892 HG1 SER 279 -21.413 -3.589 -16.665 1.00 0.00 PRO +ATOM 3893 C SER 279 -23.328 -1.959 -15.298 1.00 0.00 PRO +ATOM 3894 O SER 279 -23.937 -2.786 -14.627 1.00 0.00 PRO +ATOM 3895 N PHE 280 -22.445 -1.091 -14.769 1.00 0.00 PRO +ATOM 3896 HN PHE 280 -21.989 -0.422 -15.350 1.00 0.00 PRO +ATOM 3897 CA PHE 280 -22.041 -1.048 -13.388 1.00 0.00 PRO +ATOM 3898 HA PHE 280 -22.579 -1.803 -12.835 1.00 0.00 PRO +ATOM 3899 CB PHE 280 -20.516 -1.268 -13.212 1.00 0.00 PRO +ATOM 3900 HB1 PHE 280 -20.215 -1.191 -12.144 1.00 0.00 PRO +ATOM 3901 HB2 PHE 280 -19.932 -0.514 -13.786 1.00 0.00 PRO +ATOM 3902 CG PHE 280 -20.147 -2.639 -13.712 1.00 0.00 PRO +ATOM 3903 CD1 PHE 280 -20.101 -3.730 -12.829 1.00 0.00 PRO +ATOM 3904 HD1 PHE 280 -20.339 -3.580 -11.787 1.00 0.00 PRO +ATOM 3905 CE1 PHE 280 -19.699 -4.995 -13.274 1.00 0.00 PRO +ATOM 3906 HE1 PHE 280 -19.626 -5.813 -12.573 1.00 0.00 PRO +ATOM 3907 CZ PHE 280 -19.354 -5.184 -14.618 1.00 0.00 PRO +ATOM 3908 HZ PHE 280 -19.033 -6.154 -14.963 1.00 0.00 PRO +ATOM 3909 CD2 PHE 280 -19.778 -2.840 -15.053 1.00 0.00 PRO +ATOM 3910 HD2 PHE 280 -19.771 -1.999 -15.731 1.00 0.00 PRO +ATOM 3911 CE2 PHE 280 -19.395 -4.106 -15.509 1.00 0.00 PRO +ATOM 3912 HE2 PHE 280 -19.108 -4.242 -16.543 1.00 0.00 PRO +ATOM 3913 C PHE 280 -22.435 0.289 -12.804 1.00 0.00 PRO +ATOM 3914 O PHE 280 -22.525 1.308 -13.502 1.00 0.00 PRO +ATOM 3915 N THR 281 -22.738 0.309 -11.496 1.00 0.00 PRO +ATOM 3916 HN THR 281 -22.710 -0.546 -10.966 1.00 0.00 PRO +ATOM 3917 CA THR 281 -23.115 1.502 -10.746 1.00 0.00 PRO +ATOM 3918 HA THR 281 -23.970 1.936 -11.238 1.00 0.00 PRO +ATOM 3919 CB THR 281 -23.493 1.171 -9.310 1.00 0.00 PRO +ATOM 3920 HB THR 281 -22.590 0.865 -8.733 1.00 0.00 PRO +ATOM 3921 OG1 THR 281 -24.417 0.092 -9.254 1.00 0.00 PRO +ATOM 3922 HG1 THR 281 -25.125 0.278 -9.893 1.00 0.00 PRO +ATOM 3923 CG2 THR 281 -24.148 2.362 -8.610 1.00 0.00 PRO +ATOM 3924 HG21 THR 281 -25.024 2.722 -9.189 1.00 0.00 PRO +ATOM 3925 HG22 THR 281 -23.422 3.197 -8.501 1.00 0.00 PRO +ATOM 3926 HG23 THR 281 -24.485 2.067 -7.594 1.00 0.00 PRO +ATOM 3927 C THR 281 -22.024 2.562 -10.754 1.00 0.00 PRO +ATOM 3928 O THR 281 -22.274 3.735 -11.003 1.00 0.00 PRO +ATOM 3929 N LEU 282 -20.768 2.121 -10.556 1.00 0.00 PRO +ATOM 3930 HN LEU 282 -20.606 1.164 -10.306 1.00 0.00 PRO +ATOM 3931 CA LEU 282 -19.576 2.916 -10.727 1.00 0.00 PRO +ATOM 3932 HA LEU 282 -19.832 3.940 -10.960 1.00 0.00 PRO +ATOM 3933 CB LEU 282 -18.669 2.871 -9.471 1.00 0.00 PRO +ATOM 3934 HB1 LEU 282 -17.741 3.452 -9.652 1.00 0.00 PRO +ATOM 3935 HB2 LEU 282 -18.379 1.813 -9.276 1.00 0.00 PRO +ATOM 3936 CG LEU 282 -19.298 3.429 -8.180 1.00 0.00 PRO +ATOM 3937 HG LEU 282 -20.244 2.873 -7.974 1.00 0.00 PRO +ATOM 3938 CD1 LEU 282 -18.347 3.188 -7.000 1.00 0.00 PRO +ATOM 3939 HD11 LEU 282 -17.386 3.722 -7.148 1.00 0.00 PRO +ATOM 3940 HD12 LEU 282 -18.130 2.104 -6.891 1.00 0.00 PRO +ATOM 3941 HD13 LEU 282 -18.807 3.542 -6.056 1.00 0.00 PRO +ATOM 3942 CD2 LEU 282 -19.617 4.927 -8.295 1.00 0.00 PRO +ATOM 3943 HD21 LEU 282 -20.392 5.103 -9.071 1.00 0.00 PRO +ATOM 3944 HD22 LEU 282 -18.700 5.494 -8.564 1.00 0.00 PRO +ATOM 3945 HD23 LEU 282 -19.994 5.305 -7.323 1.00 0.00 PRO +ATOM 3946 C LEU 282 -18.822 2.343 -11.912 1.00 0.00 PRO +ATOM 3947 O LEU 282 -18.414 1.182 -11.922 1.00 0.00 PRO +ATOM 3948 N ASP 283 -18.624 3.161 -12.960 1.00 0.00 PRO +ATOM 3949 HN ASP 283 -18.894 4.126 -12.905 1.00 0.00 PRO +ATOM 3950 CA ASP 283 -18.010 2.757 -14.205 1.00 0.00 PRO +ATOM 3951 HA ASP 283 -18.158 1.692 -14.362 1.00 0.00 PRO +ATOM 3952 CB ASP 283 -18.693 3.548 -15.358 1.00 0.00 PRO +ATOM 3953 HB1 ASP 283 -18.632 4.632 -15.124 1.00 0.00 PRO +ATOM 3954 HB2 ASP 283 -19.767 3.262 -15.380 1.00 0.00 PRO +ATOM 3955 CG ASP 283 -18.143 3.361 -16.759 1.00 0.00 PRO +ATOM 3956 OD1 ASP 283 -17.074 2.697 -16.962 1.00 0.00 PRO +ATOM 3957 OD2 ASP 283 -18.740 3.953 -17.677 1.00 0.00 PRO +ATOM 3958 C ASP 283 -16.515 3.012 -14.099 1.00 0.00 PRO +ATOM 3959 O ASP 283 -16.078 4.142 -13.864 1.00 0.00 PRO +ATOM 3960 N THR 284 -15.673 1.977 -14.242 1.00 0.00 PRO +ATOM 3961 HN THR 284 -16.022 1.052 -14.425 1.00 0.00 PRO +ATOM 3962 CA THR 284 -14.241 2.076 -13.954 1.00 0.00 PRO +ATOM 3963 HA THR 284 -14.080 2.840 -13.207 1.00 0.00 PRO +ATOM 3964 CB THR 284 -13.643 0.781 -13.419 1.00 0.00 PRO +ATOM 3965 HB THR 284 -12.546 0.874 -13.261 1.00 0.00 PRO +ATOM 3966 OG1 THR 284 -13.884 -0.308 -14.298 1.00 0.00 PRO +ATOM 3967 HG1 THR 284 -13.581 -1.102 -13.834 1.00 0.00 PRO +ATOM 3968 CG2 THR 284 -14.301 0.441 -12.077 1.00 0.00 PRO +ATOM 3969 HG21 THR 284 -15.408 0.408 -12.156 1.00 0.00 PRO +ATOM 3970 HG22 THR 284 -14.022 1.191 -11.308 1.00 0.00 PRO +ATOM 3971 HG23 THR 284 -13.960 -0.550 -11.709 1.00 0.00 PRO +ATOM 3972 C THR 284 -13.455 2.510 -15.169 1.00 0.00 PRO +ATOM 3973 O THR 284 -12.225 2.574 -15.154 1.00 0.00 PRO +ATOM 3974 N THR 285 -14.151 2.917 -16.245 1.00 0.00 PRO +ATOM 3975 HN THR 285 -15.154 2.827 -16.252 1.00 0.00 PRO +ATOM 3976 CA THR 285 -13.525 3.508 -17.424 1.00 0.00 PRO +ATOM 3977 HA THR 285 -12.507 3.156 -17.498 1.00 0.00 PRO +ATOM 3978 CB THR 285 -14.244 3.152 -18.729 1.00 0.00 PRO +ATOM 3979 HB THR 285 -13.635 3.520 -19.588 1.00 0.00 PRO +ATOM 3980 OG1 THR 285 -15.557 3.711 -18.847 1.00 0.00 PRO +ATOM 3981 HG1 THR 285 -16.104 3.269 -18.156 1.00 0.00 PRO +ATOM 3982 CG2 THR 285 -14.354 1.622 -18.843 1.00 0.00 PRO +ATOM 3983 HG21 THR 285 -15.012 1.208 -18.050 1.00 0.00 PRO +ATOM 3984 HG22 THR 285 -13.352 1.151 -18.740 1.00 0.00 PRO +ATOM 3985 HG23 THR 285 -14.776 1.337 -19.829 1.00 0.00 PRO +ATOM 3986 C THR 285 -13.480 5.015 -17.270 1.00 0.00 PRO +ATOM 3987 O THR 285 -13.001 5.743 -18.151 1.00 0.00 PRO +ATOM 3988 N LYS 286 -13.963 5.515 -16.123 1.00 0.00 PRO +ATOM 3989 HN LYS 286 -14.277 4.885 -15.409 1.00 0.00 PRO +ATOM 3990 CA LYS 286 -14.104 6.908 -15.796 1.00 0.00 PRO +ATOM 3991 HA LYS 286 -13.515 7.505 -16.477 1.00 0.00 PRO +ATOM 3992 CB LYS 286 -15.600 7.331 -15.831 1.00 0.00 PRO +ATOM 3993 HB1 LYS 286 -15.711 8.388 -15.506 1.00 0.00 PRO +ATOM 3994 HB2 LYS 286 -16.155 6.691 -15.105 1.00 0.00 PRO +ATOM 3995 CG LYS 286 -16.249 7.146 -17.215 1.00 0.00 PRO +ATOM 3996 HG1 LYS 286 -16.031 6.113 -17.567 1.00 0.00 PRO +ATOM 3997 HG2 LYS 286 -15.779 7.858 -17.928 1.00 0.00 PRO +ATOM 3998 CD LYS 286 -17.777 7.325 -17.198 1.00 0.00 PRO +ATOM 3999 HD1 LYS 286 -18.009 8.322 -16.761 1.00 0.00 PRO +ATOM 4000 HD2 LYS 286 -18.218 6.555 -16.523 1.00 0.00 PRO +ATOM 4001 CE LYS 286 -18.435 7.223 -18.586 1.00 0.00 PRO +ATOM 4002 HE1 LYS 286 -18.058 8.041 -19.237 1.00 0.00 PRO +ATOM 4003 HE2 LYS 286 -19.539 7.320 -18.491 1.00 0.00 PRO +ATOM 4004 NZ LYS 286 -18.140 5.924 -19.230 1.00 0.00 PRO +ATOM 4005 HZ1 LYS 286 -18.475 5.143 -18.585 1.00 0.00 PRO +ATOM 4006 HZ2 LYS 286 -17.125 5.745 -19.335 1.00 0.00 PRO +ATOM 4007 HZ3 LYS 286 -18.644 5.783 -20.133 1.00 0.00 PRO +ATOM 4008 C LYS 286 -13.558 7.114 -14.396 1.00 0.00 PRO +ATOM 4009 O LYS 286 -13.616 6.243 -13.547 1.00 0.00 PRO +ATOM 4010 N LYS 287 -12.995 8.317 -14.142 1.00 0.00 PRO +ATOM 4011 HN LYS 287 -12.891 8.976 -14.868 1.00 0.00 PRO +ATOM 4012 CA LYS 287 -12.528 8.720 -12.828 1.00 0.00 PRO +ATOM 4013 HA LYS 287 -11.836 7.963 -12.485 1.00 0.00 PRO +ATOM 4014 CB LYS 287 -11.788 10.087 -12.929 1.00 0.00 PRO +ATOM 4015 HB1 LYS 287 -12.529 10.885 -13.129 1.00 0.00 PRO +ATOM 4016 HB2 LYS 287 -11.102 10.023 -13.805 1.00 0.00 PRO +ATOM 4017 CG LYS 287 -10.933 10.457 -11.703 1.00 0.00 PRO +ATOM 4018 HG1 LYS 287 -10.149 9.675 -11.594 1.00 0.00 PRO +ATOM 4019 HG2 LYS 287 -11.554 10.443 -10.779 1.00 0.00 PRO +ATOM 4020 CD LYS 287 -10.215 11.817 -11.802 1.00 0.00 PRO +ATOM 4021 HD1 LYS 287 -9.571 11.817 -12.711 1.00 0.00 PRO +ATOM 4022 HD2 LYS 287 -9.538 11.895 -10.921 1.00 0.00 PRO +ATOM 4023 CE LYS 287 -11.167 13.020 -11.838 1.00 0.00 PRO +ATOM 4024 HE1 LYS 287 -11.965 12.906 -11.072 1.00 0.00 PRO +ATOM 4025 HE2 LYS 287 -11.635 13.115 -12.842 1.00 0.00 PRO +ATOM 4026 NZ LYS 287 -10.438 14.272 -11.539 1.00 0.00 PRO +ATOM 4027 HZ1 LYS 287 -9.530 14.268 -12.048 1.00 0.00 PRO +ATOM 4028 HZ2 LYS 287 -10.295 14.333 -10.498 1.00 0.00 PRO +ATOM 4029 HZ3 LYS 287 -10.998 15.088 -11.861 1.00 0.00 PRO +ATOM 4030 C LYS 287 -13.677 8.785 -11.816 1.00 0.00 PRO +ATOM 4031 O LYS 287 -14.813 9.114 -12.141 1.00 0.00 PRO +ATOM 4032 N LEU 288 -13.387 8.443 -10.551 1.00 0.00 PRO +ATOM 4033 HN LEU 288 -12.470 8.135 -10.293 1.00 0.00 PRO +ATOM 4034 CA LEU 288 -14.358 8.470 -9.486 1.00 0.00 PRO +ATOM 4035 HA LEU 288 -15.173 9.134 -9.746 1.00 0.00 PRO +ATOM 4036 CB LEU 288 -14.939 7.072 -9.126 1.00 0.00 PRO +ATOM 4037 HB1 LEU 288 -15.479 6.667 -10.007 1.00 0.00 PRO +ATOM 4038 HB2 LEU 288 -15.699 7.205 -8.323 1.00 0.00 PRO +ATOM 4039 CG LEU 288 -13.938 5.989 -8.651 1.00 0.00 PRO +ATOM 4040 HG LEU 288 -13.201 6.438 -7.945 1.00 0.00 PRO +ATOM 4041 CD1 LEU 288 -14.688 4.900 -7.866 1.00 0.00 PRO +ATOM 4042 HD11 LEU 288 -15.449 4.409 -8.510 1.00 0.00 PRO +ATOM 4043 HD12 LEU 288 -15.196 5.337 -6.982 1.00 0.00 PRO +ATOM 4044 HD13 LEU 288 -13.978 4.124 -7.511 1.00 0.00 PRO +ATOM 4045 CD2 LEU 288 -13.157 5.347 -9.811 1.00 0.00 PRO +ATOM 4046 HD21 LEU 288 -12.431 6.056 -10.253 1.00 0.00 PRO +ATOM 4047 HD22 LEU 288 -13.853 5.026 -10.614 1.00 0.00 PRO +ATOM 4048 HD23 LEU 288 -12.594 4.459 -9.455 1.00 0.00 PRO +ATOM 4049 C LEU 288 -13.702 9.071 -8.275 1.00 0.00 PRO +ATOM 4050 O LEU 288 -12.471 9.139 -8.174 1.00 0.00 PRO +ATOM 4051 N THR 289 -14.522 9.541 -7.333 1.00 0.00 PRO +ATOM 4052 HN THR 289 -15.515 9.536 -7.478 1.00 0.00 PRO +ATOM 4053 CA THR 289 -14.082 10.091 -6.065 1.00 0.00 PRO +ATOM 4054 HA THR 289 -13.012 10.205 -6.055 1.00 0.00 PRO +ATOM 4055 CB THR 289 -14.743 11.425 -5.738 1.00 0.00 PRO +ATOM 4056 HB THR 289 -15.834 11.271 -5.582 1.00 0.00 PRO +ATOM 4057 OG1 THR 289 -14.570 12.356 -6.805 1.00 0.00 PRO +ATOM 4058 HG1 THR 289 -13.609 12.556 -6.810 1.00 0.00 PRO +ATOM 4059 CG2 THR 289 -14.131 12.077 -4.492 1.00 0.00 PRO +ATOM 4060 HG21 THR 289 -13.038 12.222 -4.637 1.00 0.00 PRO +ATOM 4061 HG22 THR 289 -14.288 11.462 -3.582 1.00 0.00 PRO +ATOM 4062 HG23 THR 289 -14.596 13.070 -4.321 1.00 0.00 PRO +ATOM 4063 C THR 289 -14.475 9.081 -5.009 1.00 0.00 PRO +ATOM 4064 O THR 289 -15.553 8.526 -5.034 1.00 0.00 PRO +ATOM 4065 N VAL 290 -13.545 8.827 -4.062 1.00 0.00 PRO +ATOM 4066 HN VAL 290 -12.670 9.308 -4.067 1.00 0.00 PRO +ATOM 4067 CA VAL 290 -13.700 7.833 -3.022 1.00 0.00 PRO +ATOM 4068 HA VAL 290 -14.692 7.400 -3.038 1.00 0.00 PRO +ATOM 4069 CB VAL 290 -12.653 6.729 -3.159 1.00 0.00 PRO +ATOM 4070 HB VAL 290 -11.634 7.174 -3.072 1.00 0.00 PRO +ATOM 4071 CG1 VAL 290 -12.837 5.657 -2.069 1.00 0.00 PRO +ATOM 4072 HG11 VAL 290 -13.853 5.213 -2.128 1.00 0.00 PRO +ATOM 4073 HG12 VAL 290 -12.676 6.068 -1.052 1.00 0.00 PRO +ATOM 4074 HG13 VAL 290 -12.102 4.836 -2.225 1.00 0.00 PRO +ATOM 4075 CG2 VAL 290 -12.748 6.083 -4.558 1.00 0.00 PRO +ATOM 4076 HG21 VAL 290 -12.507 6.811 -5.360 1.00 0.00 PRO +ATOM 4077 HG22 VAL 290 -13.763 5.677 -4.738 1.00 0.00 PRO +ATOM 4078 HG23 VAL 290 -12.021 5.245 -4.639 1.00 0.00 PRO +ATOM 4079 C VAL 290 -13.528 8.569 -1.711 1.00 0.00 PRO +ATOM 4080 O VAL 290 -12.517 9.257 -1.500 1.00 0.00 PRO +ATOM 4081 N VAL 291 -14.515 8.498 -0.801 1.00 0.00 PRO +ATOM 4082 HN VAL 291 -15.352 7.969 -0.975 1.00 0.00 PRO +ATOM 4083 CA VAL 291 -14.479 9.214 0.463 1.00 0.00 PRO +ATOM 4084 HA VAL 291 -13.523 9.697 0.588 1.00 0.00 PRO +ATOM 4085 CB VAL 291 -15.569 10.274 0.601 1.00 0.00 PRO +ATOM 4086 HB VAL 291 -16.574 9.792 0.623 1.00 0.00 PRO +ATOM 4087 CG1 VAL 291 -15.356 11.080 1.904 1.00 0.00 PRO +ATOM 4088 HG11 VAL 291 -14.334 11.514 1.936 1.00 0.00 PRO +ATOM 4089 HG12 VAL 291 -15.503 10.450 2.805 1.00 0.00 PRO +ATOM 4090 HG13 VAL 291 -16.080 11.920 1.957 1.00 0.00 PRO +ATOM 4091 CG2 VAL 291 -15.521 11.207 -0.626 1.00 0.00 PRO +ATOM 4092 HG21 VAL 291 -15.819 10.664 -1.548 1.00 0.00 PRO +ATOM 4093 HG22 VAL 291 -14.497 11.606 -0.770 1.00 0.00 PRO +ATOM 4094 HG23 VAL 291 -16.217 12.060 -0.488 1.00 0.00 PRO +ATOM 4095 C VAL 291 -14.638 8.195 1.573 1.00 0.00 PRO +ATOM 4096 O VAL 291 -15.562 7.410 1.608 1.00 0.00 PRO +ATOM 4097 N THR 292 -13.676 8.196 2.522 1.00 0.00 PRO +ATOM 4098 HN THR 292 -12.950 8.885 2.501 1.00 0.00 PRO +ATOM 4099 CA THR 292 -13.651 7.224 3.606 1.00 0.00 PRO +ATOM 4100 HA THR 292 -14.531 6.593 3.581 1.00 0.00 PRO +ATOM 4101 CB THR 292 -12.418 6.336 3.561 1.00 0.00 PRO +ATOM 4102 HB THR 292 -11.499 6.911 3.831 1.00 0.00 PRO +ATOM 4103 OG1 THR 292 -12.263 5.834 2.237 1.00 0.00 PRO +ATOM 4104 HG1 THR 292 -12.079 6.620 1.704 1.00 0.00 PRO +ATOM 4105 CG2 THR 292 -12.565 5.129 4.492 1.00 0.00 PRO +ATOM 4106 HG21 THR 292 -13.466 4.533 4.230 1.00 0.00 PRO +ATOM 4107 HG22 THR 292 -12.645 5.446 5.553 1.00 0.00 PRO +ATOM 4108 HG23 THR 292 -11.676 4.467 4.402 1.00 0.00 PRO +ATOM 4109 C THR 292 -13.688 8.005 4.885 1.00 0.00 PRO +ATOM 4110 O THR 292 -12.901 8.952 5.060 1.00 0.00 PRO +ATOM 4111 N GLN 293 -14.618 7.691 5.790 1.00 0.00 PRO +ATOM 4112 HN GLN 293 -15.200 6.876 5.661 1.00 0.00 PRO +ATOM 4113 CA GLN 293 -14.892 8.479 6.976 1.00 0.00 PRO +ATOM 4114 HA GLN 293 -14.233 9.332 7.028 1.00 0.00 PRO +ATOM 4115 CB GLN 293 -16.379 8.941 7.017 1.00 0.00 PRO +ATOM 4116 HB1 GLN 293 -16.515 9.644 7.869 1.00 0.00 PRO +ATOM 4117 HB2 GLN 293 -17.019 8.053 7.210 1.00 0.00 PRO +ATOM 4118 CG GLN 293 -16.873 9.606 5.705 1.00 0.00 PRO +ATOM 4119 HG1 GLN 293 -16.749 8.911 4.849 1.00 0.00 PRO +ATOM 4120 HG2 GLN 293 -16.265 10.513 5.502 1.00 0.00 PRO +ATOM 4121 CD GLN 293 -18.358 9.976 5.763 1.00 0.00 PRO +ATOM 4122 OE1 GLN 293 -19.257 9.127 5.808 1.00 0.00 PRO +ATOM 4123 NE2 GLN 293 -18.654 11.296 5.737 1.00 0.00 PRO +ATOM 4124 HE21 GLN 293 -17.895 11.963 5.668 1.00 0.00 PRO +ATOM 4125 HE22 GLN 293 -19.586 11.577 5.928 1.00 0.00 PRO +ATOM 4126 C GLN 293 -14.635 7.584 8.177 1.00 0.00 PRO +ATOM 4127 O GLN 293 -15.100 6.470 8.228 1.00 0.00 PRO +ATOM 4128 N PHE 294 -13.874 8.097 9.177 1.00 0.00 PRO +ATOM 4129 HN PHE 294 -13.472 9.007 9.131 1.00 0.00 PRO +ATOM 4130 CA PHE 294 -13.542 7.321 10.359 1.00 0.00 PRO +ATOM 4131 HA PHE 294 -13.894 6.297 10.279 1.00 0.00 PRO +ATOM 4132 CB PHE 294 -12.016 7.345 10.628 1.00 0.00 PRO +ATOM 4133 HB1 PHE 294 -11.768 6.821 11.577 1.00 0.00 PRO +ATOM 4134 HB2 PHE 294 -11.656 8.392 10.695 1.00 0.00 PRO +ATOM 4135 CG PHE 294 -11.269 6.685 9.511 1.00 0.00 PRO +ATOM 4136 CD1 PHE 294 -10.881 7.395 8.359 1.00 0.00 PRO +ATOM 4137 HD1 PHE 294 -11.139 8.439 8.265 1.00 0.00 PRO +ATOM 4138 CE1 PHE 294 -10.180 6.752 7.330 1.00 0.00 PRO +ATOM 4139 HE1 PHE 294 -9.896 7.296 6.442 1.00 0.00 PRO +ATOM 4140 CZ PHE 294 -9.847 5.398 7.461 1.00 0.00 PRO +ATOM 4141 HZ PHE 294 -9.313 4.885 6.678 1.00 0.00 PRO +ATOM 4142 CD2 PHE 294 -10.901 5.341 9.640 1.00 0.00 PRO +ATOM 4143 HD2 PHE 294 -11.172 4.789 10.528 1.00 0.00 PRO +ATOM 4144 CE2 PHE 294 -10.198 4.699 8.620 1.00 0.00 PRO +ATOM 4145 HE2 PHE 294 -9.938 3.660 8.735 1.00 0.00 PRO +ATOM 4146 C PHE 294 -14.207 7.944 11.556 1.00 0.00 PRO +ATOM 4147 O PHE 294 -13.733 8.973 12.086 1.00 0.00 PRO +ATOM 4148 N GLU 295 -15.302 7.373 12.067 1.00 0.00 PRO +ATOM 4149 HN GLU 295 -15.639 6.485 11.719 1.00 0.00 PRO +ATOM 4150 CA GLU 295 -16.007 7.969 13.179 1.00 0.00 PRO +ATOM 4151 HA GLU 295 -15.861 9.041 13.122 1.00 0.00 PRO +ATOM 4152 CB GLU 295 -17.545 7.774 13.147 1.00 0.00 PRO +ATOM 4153 HB1 GLU 295 -17.936 8.087 12.152 1.00 0.00 PRO +ATOM 4154 HB2 GLU 295 -17.979 8.481 13.893 1.00 0.00 PRO +ATOM 4155 CG GLU 295 -18.073 6.355 13.457 1.00 0.00 PRO +ATOM 4156 HG1 GLU 295 -17.359 5.804 14.106 1.00 0.00 PRO +ATOM 4157 HG2 GLU 295 -18.185 5.765 12.525 1.00 0.00 PRO +ATOM 4158 CD GLU 295 -19.395 6.407 14.219 1.00 0.00 PRO +ATOM 4159 OE1 GLU 295 -20.413 7.004 13.689 1.00 0.00 PRO +ATOM 4160 OE2 GLU 295 -19.409 5.944 15.356 1.00 0.00 PRO +ATOM 4161 C GLU 295 -15.421 7.547 14.514 1.00 0.00 PRO +ATOM 4162 O GLU 295 -14.529 6.696 14.629 1.00 0.00 PRO +ATOM 4163 N THR 296 -15.885 8.169 15.601 1.00 0.00 PRO +ATOM 4164 HN THR 296 -16.661 8.797 15.540 1.00 0.00 PRO +ATOM 4165 CA THR 296 -15.246 8.104 16.905 1.00 0.00 PRO +ATOM 4166 HA THR 296 -14.178 8.090 16.741 1.00 0.00 PRO +ATOM 4167 CB THR 296 -15.547 9.316 17.769 1.00 0.00 PRO +ATOM 4168 HB THR 296 -15.143 9.200 18.800 1.00 0.00 PRO +ATOM 4169 OG1 THR 296 -16.952 9.582 17.845 1.00 0.00 PRO +ATOM 4170 HG1 THR 296 -17.045 10.508 18.062 1.00 0.00 PRO +ATOM 4171 CG2 THR 296 -14.861 10.521 17.106 1.00 0.00 PRO +ATOM 4172 HG21 THR 296 -15.283 10.724 16.099 1.00 0.00 PRO +ATOM 4173 HG22 THR 296 -13.778 10.304 16.972 1.00 0.00 PRO +ATOM 4174 HG23 THR 296 -14.970 11.436 17.723 1.00 0.00 PRO +ATOM 4175 C THR 296 -15.543 6.849 17.690 1.00 0.00 PRO +ATOM 4176 O THR 296 -14.888 6.579 18.705 1.00 0.00 PRO +ATOM 4177 N SER 297 -16.511 6.016 17.265 1.00 0.00 PRO +ATOM 4178 HN SER 297 -17.090 6.244 16.475 1.00 0.00 PRO +ATOM 4179 CA SER 297 -16.638 4.664 17.791 1.00 0.00 PRO +ATOM 4180 HA SER 297 -16.686 4.736 18.869 1.00 0.00 PRO +ATOM 4181 CB SER 297 -17.930 3.954 17.313 1.00 0.00 PRO +ATOM 4182 HB1 SER 297 -18.803 4.577 17.609 1.00 0.00 PRO +ATOM 4183 HB2 SER 297 -18.035 2.956 17.785 1.00 0.00 PRO +ATOM 4184 OG SER 297 -17.983 3.826 15.883 1.00 0.00 PRO +ATOM 4185 HG1 SER 297 -18.569 4.544 15.573 1.00 0.00 PRO +ATOM 4186 C SER 297 -15.416 3.804 17.477 1.00 0.00 PRO +ATOM 4187 O SER 297 -14.833 3.184 18.363 1.00 0.00 PRO +ATOM 4188 N GLY 298 -14.973 3.877 16.201 1.00 0.00 PRO +ATOM 4189 HN GLY 298 -15.419 4.525 15.587 1.00 0.00 PRO +ATOM 4190 CA GLY 298 -13.936 3.067 15.578 1.00 0.00 PRO +ATOM 4191 HA1 GLY 298 -13.652 2.246 16.221 1.00 0.00 PRO +ATOM 4192 HA2 GLY 298 -13.116 3.718 15.311 1.00 0.00 PRO +ATOM 4193 C GLY 298 -14.450 2.465 14.298 1.00 0.00 PRO +ATOM 4194 O GLY 298 -13.730 1.736 13.623 1.00 0.00 PRO +ATOM 4195 N ALA 299 -15.712 2.761 13.929 1.00 0.00 PRO +ATOM 4196 HN ALA 299 -16.308 3.311 14.508 1.00 0.00 PRO +ATOM 4197 CA ALA 299 -16.324 2.327 12.695 1.00 0.00 PRO +ATOM 4198 HA ALA 299 -15.978 1.322 12.477 1.00 0.00 PRO +ATOM 4199 CB ALA 299 -17.860 2.303 12.822 1.00 0.00 PRO +ATOM 4200 HB1 ALA 299 -18.260 3.323 13.004 1.00 0.00 PRO +ATOM 4201 HB2 ALA 299 -18.164 1.655 13.669 1.00 0.00 PRO +ATOM 4202 HB3 ALA 299 -18.331 1.902 11.898 1.00 0.00 PRO +ATOM 4203 C ALA 299 -15.933 3.184 11.508 1.00 0.00 PRO +ATOM 4204 O ALA 299 -15.571 4.369 11.638 1.00 0.00 PRO +ATOM 4205 N ILE 300 -15.993 2.591 10.312 1.00 0.00 PRO +ATOM 4206 HN ILE 300 -16.329 1.644 10.235 1.00 0.00 PRO +ATOM 4207 CA ILE 300 -15.553 3.211 9.084 1.00 0.00 PRO +ATOM 4208 HA ILE 300 -15.275 4.236 9.274 1.00 0.00 PRO +ATOM 4209 CB ILE 300 -14.340 2.505 8.470 1.00 0.00 PRO +ATOM 4210 HB ILE 300 -14.634 1.484 8.144 1.00 0.00 PRO +ATOM 4211 CG2 ILE 300 -13.855 3.297 7.233 1.00 0.00 PRO +ATOM 4212 HG21 ILE 300 -13.539 4.320 7.529 1.00 0.00 PRO +ATOM 4213 HG22 ILE 300 -14.647 3.376 6.461 1.00 0.00 PRO +ATOM 4214 HG23 ILE 300 -12.988 2.788 6.762 1.00 0.00 PRO +ATOM 4215 CG1 ILE 300 -13.207 2.331 9.519 1.00 0.00 PRO +ATOM 4216 HG11 ILE 300 -13.598 1.814 10.424 1.00 0.00 PRO +ATOM 4217 HG12 ILE 300 -12.864 3.338 9.839 1.00 0.00 PRO +ATOM 4218 CD ILE 300 -12.018 1.501 9.019 1.00 0.00 PRO +ATOM 4219 HD1 ILE 300 -11.519 1.987 8.156 1.00 0.00 PRO +ATOM 4220 HD2 ILE 300 -12.355 0.490 8.703 1.00 0.00 PRO +ATOM 4221 HD3 ILE 300 -11.264 1.376 9.826 1.00 0.00 PRO +ATOM 4222 C ILE 300 -16.740 3.224 8.128 1.00 0.00 PRO +ATOM 4223 O ILE 300 -17.380 2.227 7.854 1.00 0.00 PRO +ATOM 4224 N ASN 301 -17.065 4.430 7.603 1.00 0.00 PRO +ATOM 4225 HN ASN 301 -16.501 5.221 7.833 1.00 0.00 PRO +ATOM 4226 CA ASN 301 -18.099 4.597 6.605 1.00 0.00 PRO +ATOM 4227 HA ASN 301 -18.632 3.663 6.466 1.00 0.00 PRO +ATOM 4228 CB ASN 301 -19.118 5.717 6.952 1.00 0.00 PRO +ATOM 4229 HB1 ASN 301 -19.916 5.790 6.188 1.00 0.00 PRO +ATOM 4230 HB2 ASN 301 -18.595 6.694 6.996 1.00 0.00 PRO +ATOM 4231 CG ASN 301 -19.772 5.523 8.324 1.00 0.00 PRO +ATOM 4232 OD1 ASN 301 -19.560 6.336 9.217 1.00 0.00 PRO +ATOM 4233 ND2 ASN 301 -20.632 4.487 8.443 1.00 0.00 PRO +ATOM 4234 HD21 ASN 301 -20.999 4.282 9.374 1.00 0.00 PRO +ATOM 4235 HD22 ASN 301 -20.767 3.842 7.714 1.00 0.00 PRO +ATOM 4236 C ASN 301 -17.455 4.934 5.275 1.00 0.00 PRO +ATOM 4237 O ASN 301 -16.297 5.386 5.202 1.00 0.00 PRO +ATOM 4238 N ARG 302 -18.181 4.735 4.176 1.00 0.00 PRO +ATOM 4239 HN ARG 302 -19.115 4.383 4.221 1.00 0.00 PRO +ATOM 4240 CA ARG 302 -17.660 4.928 2.843 1.00 0.00 PRO +ATOM 4241 HA ARG 302 -16.903 5.697 2.864 1.00 0.00 PRO +ATOM 4242 CB ARG 302 -17.016 3.606 2.335 1.00 0.00 PRO +ATOM 4243 HB1 ARG 302 -17.678 2.771 2.663 1.00 0.00 PRO +ATOM 4244 HB2 ARG 302 -16.050 3.463 2.869 1.00 0.00 PRO +ATOM 4245 CG ARG 302 -16.803 3.430 0.814 1.00 0.00 PRO +ATOM 4246 HG1 ARG 302 -17.784 3.505 0.295 1.00 0.00 PRO +ATOM 4247 HG2 ARG 302 -16.449 2.389 0.638 1.00 0.00 PRO +ATOM 4248 CD ARG 302 -15.817 4.382 0.125 1.00 0.00 PRO +ATOM 4249 HD1 ARG 302 -16.085 5.438 0.305 1.00 0.00 PRO +ATOM 4250 HD2 ARG 302 -15.800 4.234 -0.973 1.00 0.00 PRO +ATOM 4251 NE ARG 302 -14.438 4.147 0.687 1.00 0.00 PRO +ATOM 4252 HE ARG 302 -14.064 4.777 1.355 1.00 0.00 PRO +ATOM 4253 CZ ARG 302 -13.612 3.221 0.235 1.00 0.00 PRO +ATOM 4254 NH1 ARG 302 -13.886 2.322 -0.664 1.00 0.00 PRO +ATOM 4255 HH11 ARG 302 -14.832 2.212 -1.013 1.00 0.00 PRO +ATOM 4256 HH12 ARG 302 -13.244 1.620 -0.961 1.00 0.00 PRO +ATOM 4257 NH2 ARG 302 -12.376 3.268 0.762 1.00 0.00 PRO +ATOM 4258 HH21 ARG 302 -12.167 3.967 1.425 1.00 0.00 PRO +ATOM 4259 HH22 ARG 302 -11.676 2.611 0.476 1.00 0.00 PRO +ATOM 4260 C ARG 302 -18.763 5.433 1.923 1.00 0.00 PRO +ATOM 4261 O ARG 302 -19.892 5.004 1.975 1.00 0.00 PRO +ATOM 4262 N TYR 303 -18.402 6.401 1.041 1.00 0.00 PRO +ATOM 4263 HN TYR 303 -17.487 6.793 1.036 1.00 0.00 PRO +ATOM 4264 CA TYR 303 -19.256 6.773 -0.059 1.00 0.00 PRO +ATOM 4265 HA TYR 303 -19.813 5.898 -0.376 1.00 0.00 PRO +ATOM 4266 CB TYR 303 -20.279 7.906 0.273 1.00 0.00 PRO +ATOM 4267 HB1 TYR 303 -20.845 7.609 1.181 1.00 0.00 PRO +ATOM 4268 HB2 TYR 303 -21.018 7.993 -0.552 1.00 0.00 PRO +ATOM 4269 CG TYR 303 -19.692 9.279 0.505 1.00 0.00 PRO +ATOM 4270 CD1 TYR 303 -19.559 10.185 -0.564 1.00 0.00 PRO +ATOM 4271 HD1 TYR 303 -19.792 9.864 -1.569 1.00 0.00 PRO +ATOM 4272 CE1 TYR 303 -19.146 11.505 -0.336 1.00 0.00 PRO +ATOM 4273 HE1 TYR 303 -19.047 12.194 -1.162 1.00 0.00 PRO +ATOM 4274 CZ TYR 303 -18.858 11.931 0.963 1.00 0.00 PRO +ATOM 4275 OH TYR 303 -18.481 13.271 1.193 1.00 0.00 PRO +ATOM 4276 HH TYR 303 -18.154 13.336 2.096 1.00 0.00 PRO +ATOM 4277 CD2 TYR 303 -19.389 9.717 1.804 1.00 0.00 PRO +ATOM 4278 HD2 TYR 303 -19.499 9.031 2.632 1.00 0.00 PRO +ATOM 4279 CE2 TYR 303 -18.966 11.036 2.033 1.00 0.00 PRO +ATOM 4280 HE2 TYR 303 -18.730 11.359 3.033 1.00 0.00 PRO +ATOM 4281 C TYR 303 -18.368 7.121 -1.228 1.00 0.00 PRO +ATOM 4282 O TYR 303 -17.143 7.327 -1.083 1.00 0.00 PRO +ATOM 4283 N TYR 304 -18.944 7.157 -2.418 1.00 0.00 PRO +ATOM 4284 HN TYR 304 -19.937 6.982 -2.496 1.00 0.00 PRO +ATOM 4285 CA TYR 304 -18.260 7.380 -3.665 1.00 0.00 PRO +ATOM 4286 HA TYR 304 -17.258 7.742 -3.480 1.00 0.00 PRO +ATOM 4287 CB TYR 304 -18.251 6.126 -4.590 1.00 0.00 PRO +ATOM 4288 HB1 TYR 304 -17.590 6.310 -5.466 1.00 0.00 PRO +ATOM 4289 HB2 TYR 304 -19.272 5.906 -4.967 1.00 0.00 PRO +ATOM 4290 CG TYR 304 -17.775 4.878 -3.878 1.00 0.00 PRO +ATOM 4291 CD1 TYR 304 -18.642 4.149 -3.039 1.00 0.00 PRO +ATOM 4292 HD1 TYR 304 -19.649 4.499 -2.875 1.00 0.00 PRO +ATOM 4293 CE1 TYR 304 -18.195 2.975 -2.406 1.00 0.00 PRO +ATOM 4294 HE1 TYR 304 -18.849 2.439 -1.733 1.00 0.00 PRO +ATOM 4295 CZ TYR 304 -16.909 2.502 -2.643 1.00 0.00 PRO +ATOM 4296 OH TYR 304 -16.384 1.394 -1.918 1.00 0.00 PRO +ATOM 4297 HH TYR 304 -16.023 0.741 -2.539 1.00 0.00 PRO +ATOM 4298 CD2 TYR 304 -16.495 4.365 -4.128 1.00 0.00 PRO +ATOM 4299 HD2 TYR 304 -15.830 4.882 -4.804 1.00 0.00 PRO +ATOM 4300 CE2 TYR 304 -16.062 3.172 -3.524 1.00 0.00 PRO +ATOM 4301 HE2 TYR 304 -15.074 2.790 -3.710 1.00 0.00 PRO +ATOM 4302 C TYR 304 -19.058 8.461 -4.362 1.00 0.00 PRO +ATOM 4303 O TYR 304 -20.248 8.622 -4.144 1.00 0.00 PRO +ATOM 4304 N VAL 305 -18.393 9.234 -5.243 1.00 0.00 PRO +ATOM 4305 HN VAL 305 -17.415 9.091 -5.400 1.00 0.00 PRO +ATOM 4306 CA VAL 305 -19.086 10.193 -6.079 1.00 0.00 PRO +ATOM 4307 HA VAL 305 -20.143 9.975 -6.083 1.00 0.00 PRO +ATOM 4308 CB VAL 305 -18.899 11.660 -5.674 1.00 0.00 PRO +ATOM 4309 HB VAL 305 -17.835 11.961 -5.803 1.00 0.00 PRO +ATOM 4310 CG1 VAL 305 -19.774 12.581 -6.555 1.00 0.00 PRO +ATOM 4311 HG11 VAL 305 -20.845 12.306 -6.454 1.00 0.00 PRO +ATOM 4312 HG12 VAL 305 -19.477 12.514 -7.621 1.00 0.00 PRO +ATOM 4313 HG13 VAL 305 -19.639 13.634 -6.232 1.00 0.00 PRO +ATOM 4314 CG2 VAL 305 -19.262 11.843 -4.186 1.00 0.00 PRO +ATOM 4315 HG21 VAL 305 -18.553 11.282 -3.540 1.00 0.00 PRO +ATOM 4316 HG22 VAL 305 -20.289 11.475 -3.982 1.00 0.00 PRO +ATOM 4317 HG23 VAL 305 -19.200 12.914 -3.901 1.00 0.00 PRO +ATOM 4318 C VAL 305 -18.588 9.972 -7.481 1.00 0.00 PRO +ATOM 4319 O VAL 305 -17.372 9.989 -7.737 1.00 0.00 PRO +ATOM 4320 N GLN 306 -19.483 9.748 -8.447 1.00 0.00 PRO +ATOM 4321 HN GLN 306 -20.463 9.658 -8.228 1.00 0.00 PRO +ATOM 4322 CA GLN 306 -19.093 9.728 -9.838 1.00 0.00 PRO +ATOM 4323 HA GLN 306 -18.166 10.277 -9.956 1.00 0.00 PRO +ATOM 4324 CB GLN 306 -18.861 8.305 -10.396 1.00 0.00 PRO +ATOM 4325 HB1 GLN 306 -19.789 7.701 -10.284 1.00 0.00 PRO +ATOM 4326 HB2 GLN 306 -18.075 7.826 -9.766 1.00 0.00 PRO +ATOM 4327 CG GLN 306 -18.401 8.303 -11.874 1.00 0.00 PRO +ATOM 4328 HG1 GLN 306 -17.531 8.983 -12.004 1.00 0.00 PRO +ATOM 4329 HG2 GLN 306 -19.221 8.656 -12.532 1.00 0.00 PRO +ATOM 4330 CD GLN 306 -18.022 6.898 -12.346 1.00 0.00 PRO +ATOM 4331 OE1 GLN 306 -18.902 6.092 -12.690 1.00 0.00 PRO +ATOM 4332 NE2 GLN 306 -16.715 6.603 -12.394 1.00 0.00 PRO +ATOM 4333 HE21 GLN 306 -16.435 5.681 -12.700 1.00 0.00 PRO +ATOM 4334 HE22 GLN 306 -16.025 7.281 -12.145 1.00 0.00 PRO +ATOM 4335 C GLN 306 -20.127 10.469 -10.651 1.00 0.00 PRO +ATOM 4336 O GLN 306 -21.324 10.219 -10.582 1.00 0.00 PRO +ATOM 4337 N ASN 307 -19.670 11.476 -11.419 1.00 0.00 PRO +ATOM 4338 HN ASN 307 -18.688 11.651 -11.403 1.00 0.00 PRO +ATOM 4339 CA ASN 307 -20.495 12.301 -12.292 1.00 0.00 PRO +ATOM 4340 HA ASN 307 -19.818 13.011 -12.740 1.00 0.00 PRO +ATOM 4341 CB ASN 307 -21.185 11.504 -13.437 1.00 0.00 PRO +ATOM 4342 HB1 ASN 307 -21.764 12.187 -14.092 1.00 0.00 PRO +ATOM 4343 HB2 ASN 307 -21.877 10.748 -13.012 1.00 0.00 PRO +ATOM 4344 CG ASN 307 -20.134 10.825 -14.311 1.00 0.00 PRO +ATOM 4345 OD1 ASN 307 -18.980 11.244 -14.373 1.00 0.00 PRO +ATOM 4346 ND2 ASN 307 -20.549 9.746 -15.013 1.00 0.00 PRO +ATOM 4347 HD21 ASN 307 -19.838 9.183 -15.448 1.00 0.00 PRO +ATOM 4348 HD22 ASN 307 -21.492 9.439 -14.954 1.00 0.00 PRO +ATOM 4349 C ASN 307 -21.492 13.167 -11.533 1.00 0.00 PRO +ATOM 4350 O ASN 307 -22.537 13.556 -12.048 1.00 0.00 PRO +ATOM 4351 N GLY 308 -21.144 13.499 -10.270 1.00 0.00 PRO +ATOM 4352 HN GLY 308 -20.286 13.134 -9.915 1.00 0.00 PRO +ATOM 4353 CA GLY 308 -21.920 14.355 -9.380 1.00 0.00 PRO +ATOM 4354 HA1 GLY 308 -22.458 15.094 -9.958 1.00 0.00 PRO +ATOM 4355 HA2 GLY 308 -21.223 14.781 -8.679 1.00 0.00 PRO +ATOM 4356 C GLY 308 -22.934 13.600 -8.573 1.00 0.00 PRO +ATOM 4357 O GLY 308 -23.652 14.168 -7.759 1.00 0.00 PRO +ATOM 4358 N VAL 309 -22.976 12.273 -8.766 1.00 0.00 PRO +ATOM 4359 HN VAL 309 -22.323 11.823 -9.370 1.00 0.00 PRO +ATOM 4360 CA VAL 309 -23.968 11.395 -8.198 1.00 0.00 PRO +ATOM 4361 HA VAL 309 -24.809 11.966 -7.824 1.00 0.00 PRO +ATOM 4362 CB VAL 309 -24.458 10.362 -9.203 1.00 0.00 PRO +ATOM 4363 HB VAL 309 -23.605 9.715 -9.522 1.00 0.00 PRO +ATOM 4364 CG1 VAL 309 -25.545 9.478 -8.563 1.00 0.00 PRO +ATOM 4365 HG11 VAL 309 -26.390 10.095 -8.188 1.00 0.00 PRO +ATOM 4366 HG12 VAL 309 -25.146 8.864 -7.727 1.00 0.00 PRO +ATOM 4367 HG13 VAL 309 -25.945 8.776 -9.322 1.00 0.00 PRO +ATOM 4368 CG2 VAL 309 -25.017 11.061 -10.462 1.00 0.00 PRO +ATOM 4369 HG21 VAL 309 -24.354 11.872 -10.822 1.00 0.00 PRO +ATOM 4370 HG22 VAL 309 -26.028 11.467 -10.251 1.00 0.00 PRO +ATOM 4371 HG23 VAL 309 -25.117 10.309 -11.274 1.00 0.00 PRO +ATOM 4372 C VAL 309 -23.305 10.697 -7.046 1.00 0.00 PRO +ATOM 4373 O VAL 309 -22.235 10.095 -7.197 1.00 0.00 PRO +ATOM 4374 N THR 310 -23.896 10.800 -5.851 1.00 0.00 PRO +ATOM 4375 HN THR 310 -24.783 11.247 -5.763 1.00 0.00 PRO +ATOM 4376 CA THR 310 -23.333 10.220 -4.644 1.00 0.00 PRO +ATOM 4377 HA THR 310 -22.266 10.095 -4.766 1.00 0.00 PRO +ATOM 4378 CB THR 310 -23.552 11.101 -3.425 1.00 0.00 PRO +ATOM 4379 HB THR 310 -24.641 11.267 -3.260 1.00 0.00 PRO +ATOM 4380 OG1 THR 310 -22.934 12.366 -3.639 1.00 0.00 PRO +ATOM 4381 HG1 THR 310 -23.159 12.623 -4.535 1.00 0.00 PRO +ATOM 4382 CG2 THR 310 -22.922 10.500 -2.161 1.00 0.00 PRO +ATOM 4383 HG21 THR 310 -21.860 10.237 -2.349 1.00 0.00 PRO +ATOM 4384 HG22 THR 310 -23.461 9.587 -1.832 1.00 0.00 PRO +ATOM 4385 HG23 THR 310 -22.955 11.234 -1.328 1.00 0.00 PRO +ATOM 4386 C THR 310 -23.934 8.846 -4.412 1.00 0.00 PRO +ATOM 4387 O THR 310 -25.135 8.646 -4.405 1.00 0.00 PRO +ATOM 4388 N PHE 311 -23.042 7.853 -4.213 1.00 0.00 PRO +ATOM 4389 HN PHE 311 -22.059 8.036 -4.221 1.00 0.00 PRO +ATOM 4390 CA PHE 311 -23.421 6.493 -3.915 1.00 0.00 PRO +ATOM 4391 HA PHE 311 -24.496 6.392 -3.843 1.00 0.00 PRO +ATOM 4392 CB PHE 311 -22.865 5.470 -4.939 1.00 0.00 PRO +ATOM 4393 HB1 PHE 311 -23.181 4.435 -4.679 1.00 0.00 PRO +ATOM 4394 HB2 PHE 311 -21.753 5.492 -4.954 1.00 0.00 PRO +ATOM 4395 CG PHE 311 -23.356 5.786 -6.325 1.00 0.00 PRO +ATOM 4396 CD1 PHE 311 -24.584 5.276 -6.774 1.00 0.00 PRO +ATOM 4397 HD1 PHE 311 -25.191 4.680 -6.110 1.00 0.00 PRO +ATOM 4398 CE1 PHE 311 -25.017 5.510 -8.086 1.00 0.00 PRO +ATOM 4399 HE1 PHE 311 -25.960 5.105 -8.422 1.00 0.00 PRO +ATOM 4400 CZ PHE 311 -24.210 6.237 -8.969 1.00 0.00 PRO +ATOM 4401 HZ PHE 311 -24.525 6.387 -9.991 1.00 0.00 PRO +ATOM 4402 CD2 PHE 311 -22.567 6.536 -7.214 1.00 0.00 PRO +ATOM 4403 HD2 PHE 311 -21.618 6.929 -6.880 1.00 0.00 PRO +ATOM 4404 CE2 PHE 311 -22.986 6.757 -8.531 1.00 0.00 PRO +ATOM 4405 HE2 PHE 311 -22.359 7.316 -9.211 1.00 0.00 PRO +ATOM 4406 C PHE 311 -22.827 6.181 -2.569 1.00 0.00 PRO +ATOM 4407 O PHE 311 -21.616 6.330 -2.358 1.00 0.00 PRO +ATOM 4408 N GLN 312 -23.640 5.747 -1.601 1.00 0.00 PRO +ATOM 4409 HN GLN 312 -24.613 5.629 -1.769 1.00 0.00 PRO +ATOM 4410 CA GLN 312 -23.143 5.163 -0.371 1.00 0.00 PRO +ATOM 4411 HA GLN 312 -22.349 5.785 0.018 1.00 0.00 PRO +ATOM 4412 CB GLN 312 -24.292 5.019 0.665 1.00 0.00 PRO +ATOM 4413 HB1 GLN 312 -24.986 4.209 0.341 1.00 0.00 PRO +ATOM 4414 HB2 GLN 312 -24.874 5.969 0.656 1.00 0.00 PRO +ATOM 4415 CG GLN 312 -23.847 4.746 2.125 1.00 0.00 PRO +ATOM 4416 HG1 GLN 312 -23.238 3.819 2.169 1.00 0.00 PRO +ATOM 4417 HG2 GLN 312 -24.755 4.592 2.743 1.00 0.00 PRO +ATOM 4418 CD GLN 312 -23.065 5.909 2.743 1.00 0.00 PRO +ATOM 4419 OE1 GLN 312 -23.066 7.045 2.285 1.00 0.00 PRO +ATOM 4420 NE2 GLN 312 -22.402 5.629 3.895 1.00 0.00 PRO +ATOM 4421 HE21 GLN 312 -21.806 6.345 4.237 1.00 0.00 PRO +ATOM 4422 HE22 GLN 312 -22.340 4.683 4.203 1.00 0.00 PRO +ATOM 4423 C GLN 312 -22.574 3.788 -0.708 1.00 0.00 PRO +ATOM 4424 O GLN 312 -23.001 3.175 -1.680 1.00 0.00 PRO +ATOM 4425 N GLN 313 -21.595 3.286 0.082 1.00 0.00 PRO +ATOM 4426 HN GLN 313 -21.177 3.851 0.789 1.00 0.00 PRO +ATOM 4427 CA GLN 313 -21.215 1.874 0.132 1.00 0.00 PRO +ATOM 4428 HA GLN 313 -20.559 1.693 -0.699 1.00 0.00 PRO +ATOM 4429 CB GLN 313 -20.454 1.620 1.464 1.00 0.00 PRO +ATOM 4430 HB1 GLN 313 -21.154 1.804 2.309 1.00 0.00 PRO +ATOM 4431 HB2 GLN 313 -19.650 2.385 1.538 1.00 0.00 PRO +ATOM 4432 CG GLN 313 -19.819 0.221 1.661 1.00 0.00 PRO +ATOM 4433 HG1 GLN 313 -20.544 -0.583 1.417 1.00 0.00 PRO +ATOM 4434 HG2 GLN 313 -19.523 0.086 2.722 1.00 0.00 PRO +ATOM 4435 CD GLN 313 -18.602 0.031 0.754 1.00 0.00 PRO +ATOM 4436 OE1 GLN 313 -18.746 -0.053 -0.460 1.00 0.00 PRO +ATOM 4437 NE2 GLN 313 -17.378 -0.019 1.338 1.00 0.00 PRO +ATOM 4438 HE21 GLN 313 -16.608 -0.206 0.739 1.00 0.00 PRO +ATOM 4439 HE22 GLN 313 -17.305 -0.070 2.331 1.00 0.00 PRO +ATOM 4440 C GLN 313 -22.441 0.935 0.039 1.00 0.00 PRO +ATOM 4441 O GLN 313 -23.400 1.177 0.748 1.00 0.00 PRO +ATOM 4442 N PRO 314 -22.507 -0.088 -0.826 1.00 0.00 PRO +ATOM 4443 CD PRO 314 -21.607 -0.335 -1.945 1.00 0.00 PRO +ATOM 4444 HD1 PRO 314 -20.725 -0.908 -1.581 1.00 0.00 PRO +ATOM 4445 HD2 PRO 314 -21.275 0.607 -2.435 1.00 0.00 PRO +ATOM 4446 CA PRO 314 -23.643 -0.996 -0.847 1.00 0.00 PRO +ATOM 4447 HA PRO 314 -24.508 -0.398 -1.087 1.00 0.00 PRO +ATOM 4448 CB PRO 314 -23.306 -2.011 -1.948 1.00 0.00 PRO +ATOM 4449 HB1 PRO 314 -24.219 -2.407 -2.432 1.00 0.00 PRO +ATOM 4450 HB2 PRO 314 -22.703 -2.857 -1.541 1.00 0.00 PRO +ATOM 4451 CG PRO 314 -22.429 -1.204 -2.899 1.00 0.00 PRO +ATOM 4452 HG1 PRO 314 -21.786 -1.840 -3.539 1.00 0.00 PRO +ATOM 4453 HG2 PRO 314 -23.058 -0.543 -3.536 1.00 0.00 PRO +ATOM 4454 C PRO 314 -23.917 -1.671 0.468 1.00 0.00 PRO +ATOM 4455 O PRO 314 -22.988 -1.979 1.211 1.00 0.00 PRO +ATOM 4456 N ASN 315 -25.196 -1.937 0.780 1.00 0.00 PRO +ATOM 4457 HN ASN 315 -25.942 -1.577 0.242 1.00 0.00 PRO +ATOM 4458 CA ASN 315 -25.536 -2.890 1.806 1.00 0.00 PRO +ATOM 4459 HA ASN 315 -25.002 -2.595 2.699 1.00 0.00 PRO +ATOM 4460 CB ASN 315 -27.056 -2.955 2.107 1.00 0.00 PRO +ATOM 4461 HB1 ASN 315 -27.302 -3.883 2.672 1.00 0.00 PRO +ATOM 4462 HB2 ASN 315 -27.626 -2.981 1.157 1.00 0.00 PRO +ATOM 4463 CG ASN 315 -27.478 -1.738 2.923 1.00 0.00 PRO +ATOM 4464 OD1 ASN 315 -27.342 -0.577 2.515 1.00 0.00 PRO +ATOM 4465 ND2 ASN 315 -28.063 -1.995 4.108 1.00 0.00 PRO +ATOM 4466 HD21 ASN 315 -28.348 -1.242 4.697 1.00 0.00 PRO +ATOM 4467 HD22 ASN 315 -28.315 -2.931 4.361 1.00 0.00 PRO +ATOM 4468 C ASN 315 -25.031 -4.277 1.468 1.00 0.00 PRO +ATOM 4469 O ASN 315 -25.069 -4.709 0.304 1.00 0.00 PRO +ATOM 4470 N ALA 316 -24.550 -4.963 2.497 1.00 0.00 PRO +ATOM 4471 HN ALA 316 -24.501 -4.548 3.411 1.00 0.00 PRO +ATOM 4472 CA ALA 316 -24.106 -6.322 2.457 1.00 0.00 PRO +ATOM 4473 HA ALA 316 -24.353 -6.784 1.513 1.00 0.00 PRO +ATOM 4474 CB ALA 316 -22.596 -6.385 2.740 1.00 0.00 PRO +ATOM 4475 HB1 ALA 316 -22.347 -5.876 3.697 1.00 0.00 PRO +ATOM 4476 HB2 ALA 316 -22.042 -5.864 1.929 1.00 0.00 PRO +ATOM 4477 HB3 ALA 316 -22.234 -7.433 2.794 1.00 0.00 PRO +ATOM 4478 C ALA 316 -24.886 -7.002 3.565 1.00 0.00 PRO +ATOM 4479 O ALA 316 -25.066 -6.471 4.634 1.00 0.00 PRO +ATOM 4480 N GLU 317 -25.403 -8.217 3.263 1.00 0.00 PRO +ATOM 4481 HN GLU 317 -25.288 -8.634 2.375 1.00 0.00 PRO +ATOM 4482 CA GLU 317 -26.099 -9.003 4.251 1.00 0.00 PRO +ATOM 4483 HA GLU 317 -26.126 -8.494 5.207 1.00 0.00 PRO +ATOM 4484 CB GLU 317 -27.548 -9.339 3.823 1.00 0.00 PRO +ATOM 4485 HB1 GLU 317 -28.028 -9.875 4.676 1.00 0.00 PRO +ATOM 4486 HB2 GLU 317 -27.541 -10.011 2.938 1.00 0.00 PRO +ATOM 4487 CG GLU 317 -28.373 -8.069 3.482 1.00 0.00 PRO +ATOM 4488 HG1 GLU 317 -28.071 -7.675 2.492 1.00 0.00 PRO +ATOM 4489 HG2 GLU 317 -28.162 -7.294 4.247 1.00 0.00 PRO +ATOM 4490 CD GLU 317 -29.878 -8.306 3.489 1.00 0.00 PRO +ATOM 4491 OE1 GLU 317 -30.400 -8.595 4.580 1.00 0.00 PRO +ATOM 4492 OE2 GLU 317 -30.532 -8.122 2.409 1.00 0.00 PRO +ATOM 4493 C GLU 317 -25.273 -10.240 4.434 1.00 0.00 PRO +ATOM 4494 O GLU 317 -25.070 -11.031 3.484 1.00 0.00 PRO +ATOM 4495 N LEU 318 -24.704 -10.417 5.616 1.00 0.00 PRO +ATOM 4496 HN LEU 318 -24.946 -9.810 6.385 1.00 0.00 PRO +ATOM 4497 CA LEU 318 -23.709 -11.422 5.879 1.00 0.00 PRO +ATOM 4498 HA LEU 318 -23.803 -12.233 5.171 1.00 0.00 PRO +ATOM 4499 CB LEU 318 -22.304 -10.767 5.785 1.00 0.00 PRO +ATOM 4500 HB1 LEU 318 -22.198 -9.994 6.576 1.00 0.00 PRO +ATOM 4501 HB2 LEU 318 -22.247 -10.236 4.807 1.00 0.00 PRO +ATOM 4502 CG LEU 318 -21.095 -11.719 5.844 1.00 0.00 PRO +ATOM 4503 HG LEU 318 -21.128 -12.303 6.795 1.00 0.00 PRO +ATOM 4504 CD1 LEU 318 -21.083 -12.705 4.666 1.00 0.00 PRO +ATOM 4505 HD11 LEU 318 -21.069 -12.153 3.702 1.00 0.00 PRO +ATOM 4506 HD12 LEU 318 -21.968 -13.372 4.685 1.00 0.00 PRO +ATOM 4507 HD13 LEU 318 -20.169 -13.335 4.717 1.00 0.00 PRO +ATOM 4508 CD2 LEU 318 -19.797 -10.898 5.849 1.00 0.00 PRO +ATOM 4509 HD21 LEU 318 -19.691 -10.319 6.792 1.00 0.00 PRO +ATOM 4510 HD22 LEU 318 -19.778 -10.181 5.004 1.00 0.00 PRO +ATOM 4511 HD23 LEU 318 -18.910 -11.556 5.741 1.00 0.00 PRO +ATOM 4512 C LEU 318 -23.997 -11.947 7.274 1.00 0.00 PRO +ATOM 4513 O LEU 318 -23.936 -11.233 8.253 1.00 0.00 PRO +ATOM 4514 N GLY 319 -24.365 -13.248 7.398 1.00 0.00 PRO +ATOM 4515 HN GLY 319 -24.399 -13.841 6.605 1.00 0.00 PRO +ATOM 4516 CA GLY 319 -24.720 -13.823 8.698 1.00 0.00 PRO +ATOM 4517 HA1 GLY 319 -23.860 -13.719 9.342 1.00 0.00 PRO +ATOM 4518 HA2 GLY 319 -24.975 -14.857 8.522 1.00 0.00 PRO +ATOM 4519 C GLY 319 -25.912 -13.192 9.393 1.00 0.00 PRO +ATOM 4520 O GLY 319 -27.051 -13.272 8.950 1.00 0.00 PRO +ATOM 4521 N SER 320 -25.675 -12.568 10.566 1.00 0.00 PRO +ATOM 4522 HN SER 320 -24.755 -12.583 10.948 1.00 0.00 PRO +ATOM 4523 CA SER 320 -26.689 -11.830 11.304 1.00 0.00 PRO +ATOM 4524 HA SER 320 -27.678 -12.094 10.953 1.00 0.00 PRO +ATOM 4525 CB SER 320 -26.612 -12.117 12.832 1.00 0.00 PRO +ATOM 4526 HB1 SER 320 -26.814 -13.202 12.959 1.00 0.00 PRO +ATOM 4527 HB2 SER 320 -27.395 -11.556 13.386 1.00 0.00 PRO +ATOM 4528 OG SER 320 -25.322 -11.847 13.394 1.00 0.00 PRO +ATOM 4529 HG1 SER 320 -25.090 -10.940 13.159 1.00 0.00 PRO +ATOM 4530 C SER 320 -26.564 -10.329 11.116 1.00 0.00 PRO +ATOM 4531 O SER 320 -27.287 -9.553 11.710 1.00 0.00 PRO +ATOM 4532 N TYR 321 -25.592 -9.918 10.270 1.00 0.00 PRO +ATOM 4533 HN TYR 321 -25.064 -10.576 9.736 1.00 0.00 PRO +ATOM 4534 CA TYR 321 -25.324 -8.546 9.937 1.00 0.00 PRO +ATOM 4535 HA TYR 321 -25.680 -7.915 10.744 1.00 0.00 PRO +ATOM 4536 CB TYR 321 -23.784 -8.310 9.805 1.00 0.00 PRO +ATOM 4537 HB1 TYR 321 -23.350 -9.049 9.101 1.00 0.00 PRO +ATOM 4538 HB2 TYR 321 -23.291 -8.460 10.789 1.00 0.00 PRO +ATOM 4539 CG TYR 321 -23.430 -6.940 9.291 1.00 0.00 PRO +ATOM 4540 CD1 TYR 321 -23.271 -6.702 7.912 1.00 0.00 PRO +ATOM 4541 HD1 TYR 321 -23.368 -7.519 7.210 1.00 0.00 PRO +ATOM 4542 CE1 TYR 321 -23.034 -5.400 7.440 1.00 0.00 PRO +ATOM 4543 HE1 TYR 321 -22.934 -5.225 6.377 1.00 0.00 PRO +ATOM 4544 CZ TYR 321 -22.921 -4.347 8.351 1.00 0.00 PRO +ATOM 4545 OH TYR 321 -22.700 -3.015 7.952 1.00 0.00 PRO +ATOM 4546 HH TYR 321 -22.092 -2.639 8.595 1.00 0.00 PRO +ATOM 4547 CD2 TYR 321 -23.282 -5.877 10.189 1.00 0.00 PRO +ATOM 4548 HD2 TYR 321 -23.375 -6.048 11.251 1.00 0.00 PRO +ATOM 4549 CE2 TYR 321 -23.013 -4.586 9.722 1.00 0.00 PRO +ATOM 4550 HE2 TYR 321 -22.887 -3.778 10.423 1.00 0.00 PRO +ATOM 4551 C TYR 321 -26.098 -8.120 8.702 1.00 0.00 PRO +ATOM 4552 O TYR 321 -26.293 -8.893 7.740 1.00 0.00 PRO +ATOM 4553 N SER 322 -26.543 -6.873 8.682 1.00 0.00 PRO +ATOM 4554 HN SER 322 -26.322 -6.267 9.444 1.00 0.00 PRO +ATOM 4555 CA SER 322 -27.066 -6.202 7.513 1.00 0.00 PRO +ATOM 4556 HA SER 322 -26.586 -6.581 6.624 1.00 0.00 PRO +ATOM 4557 CB SER 322 -28.609 -6.287 7.391 1.00 0.00 PRO +ATOM 4558 HB1 SER 322 -29.096 -5.798 8.262 1.00 0.00 PRO +ATOM 4559 HB2 SER 322 -28.906 -7.361 7.387 1.00 0.00 PRO +ATOM 4560 OG SER 322 -29.074 -5.682 6.181 1.00 0.00 PRO +ATOM 4561 HG1 SER 322 -29.317 -6.411 5.589 1.00 0.00 PRO +ATOM 4562 C SER 322 -26.656 -4.761 7.738 1.00 0.00 PRO +ATOM 4563 O SER 322 -26.688 -4.281 8.853 1.00 0.00 PRO +ATOM 4564 N GLY 323 -26.214 -4.077 6.649 1.00 0.00 PRO +ATOM 4565 HN GLY 323 -26.070 -4.557 5.791 1.00 0.00 PRO +ATOM 4566 CA GLY 323 -25.780 -2.690 6.725 1.00 0.00 PRO +ATOM 4567 HA1 GLY 323 -25.329 -2.495 7.687 1.00 0.00 PRO +ATOM 4568 HA2 GLY 323 -26.632 -2.062 6.515 1.00 0.00 PRO +ATOM 4569 C GLY 323 -24.737 -2.399 5.689 1.00 0.00 PRO +ATOM 4570 O GLY 323 -24.404 -3.258 4.865 1.00 0.00 PRO +ATOM 4571 N ASN 324 -24.226 -1.162 5.674 1.00 0.00 PRO +ATOM 4572 HN ASN 324 -24.569 -0.476 6.318 1.00 0.00 PRO +ATOM 4573 CA ASN 324 -23.205 -0.688 4.746 1.00 0.00 PRO +ATOM 4574 HA ASN 324 -22.799 -1.527 4.193 1.00 0.00 PRO +ATOM 4575 CB ASN 324 -23.834 0.303 3.740 1.00 0.00 PRO +ATOM 4576 HB1 ASN 324 -24.543 -0.272 3.108 1.00 0.00 PRO +ATOM 4577 HB2 ASN 324 -23.040 0.705 3.079 1.00 0.00 PRO +ATOM 4578 CG ASN 324 -24.581 1.469 4.382 1.00 0.00 PRO +ATOM 4579 OD1 ASN 324 -24.463 1.836 5.560 1.00 0.00 PRO +ATOM 4580 ND2 ASN 324 -25.467 2.086 3.573 1.00 0.00 PRO +ATOM 4581 HD21 ASN 324 -25.538 1.768 2.628 1.00 0.00 PRO +ATOM 4582 HD22 ASN 324 -26.045 2.791 3.971 1.00 0.00 PRO +ATOM 4583 C ASN 324 -22.029 -0.054 5.474 1.00 0.00 PRO +ATOM 4584 O ASN 324 -21.295 0.789 4.915 1.00 0.00 PRO +ATOM 4585 N GLU 325 -21.831 -0.394 6.743 1.00 0.00 PRO +ATOM 4586 HN GLU 325 -22.364 -1.156 7.122 1.00 0.00 PRO +ATOM 4587 CA GLU 325 -20.855 0.216 7.619 1.00 0.00 PRO +ATOM 4588 HA GLU 325 -20.266 0.943 7.081 1.00 0.00 PRO +ATOM 4589 CB GLU 325 -21.570 0.914 8.807 1.00 0.00 PRO +ATOM 4590 HB1 GLU 325 -22.292 0.185 9.243 1.00 0.00 PRO +ATOM 4591 HB2 GLU 325 -22.161 1.760 8.394 1.00 0.00 PRO +ATOM 4592 CG GLU 325 -20.665 1.425 9.956 1.00 0.00 PRO +ATOM 4593 HG1 GLU 325 -19.903 2.138 9.587 1.00 0.00 PRO +ATOM 4594 HG2 GLU 325 -20.123 0.576 10.421 1.00 0.00 PRO +ATOM 4595 CD GLU 325 -21.504 2.102 11.038 1.00 0.00 PRO +ATOM 4596 OE1 GLU 325 -21.571 1.541 12.164 1.00 0.00 PRO +ATOM 4597 OE2 GLU 325 -22.135 3.159 10.746 1.00 0.00 PRO +ATOM 4598 C GLU 325 -19.902 -0.840 8.136 1.00 0.00 PRO +ATOM 4599 O GLU 325 -20.315 -1.828 8.705 1.00 0.00 PRO +ATOM 4600 N LEU 326 -18.576 -0.608 7.938 1.00 0.00 PRO +ATOM 4601 HN LEU 326 -18.243 0.224 7.516 1.00 0.00 PRO +ATOM 4602 CA LEU 326 -17.554 -1.491 8.461 1.00 0.00 PRO +ATOM 4603 HA LEU 326 -17.859 -2.516 8.297 1.00 0.00 PRO +ATOM 4604 CB LEU 326 -16.219 -1.247 7.711 1.00 0.00 PRO +ATOM 4605 HB1 LEU 326 -15.760 -0.293 8.033 1.00 0.00 PRO +ATOM 4606 HB2 LEU 326 -16.482 -1.136 6.632 1.00 0.00 PRO +ATOM 4607 CG LEU 326 -15.166 -2.378 7.769 1.00 0.00 PRO +ATOM 4608 HG LEU 326 -15.670 -3.346 7.527 1.00 0.00 PRO +ATOM 4609 CD1 LEU 326 -14.104 -2.149 6.681 1.00 0.00 PRO +ATOM 4610 HD11 LEU 326 -13.533 -1.218 6.871 1.00 0.00 PRO +ATOM 4611 HD12 LEU 326 -14.569 -2.085 5.675 1.00 0.00 PRO +ATOM 4612 HD13 LEU 326 -13.390 -3.002 6.657 1.00 0.00 PRO +ATOM 4613 CD2 LEU 326 -14.480 -2.528 9.135 1.00 0.00 PRO +ATOM 4614 HD21 LEU 326 -15.202 -2.820 9.923 1.00 0.00 PRO +ATOM 4615 HD22 LEU 326 -13.980 -1.582 9.429 1.00 0.00 PRO +ATOM 4616 HD23 LEU 326 -13.709 -3.329 9.074 1.00 0.00 PRO +ATOM 4617 C LEU 326 -17.446 -1.234 9.958 1.00 0.00 PRO +ATOM 4618 O LEU 326 -17.042 -0.160 10.421 1.00 0.00 PRO +ATOM 4619 N ASN 327 -17.873 -2.216 10.761 1.00 0.00 PRO +ATOM 4620 HN ASN 327 -18.183 -3.082 10.370 1.00 0.00 PRO +ATOM 4621 CA ASN 327 -18.011 -2.095 12.189 1.00 0.00 PRO +ATOM 4622 HA ASN 327 -17.226 -1.446 12.551 1.00 0.00 PRO +ATOM 4623 CB ASN 327 -19.386 -1.479 12.617 1.00 0.00 PRO +ATOM 4624 HB1 ASN 327 -19.429 -0.442 12.224 1.00 0.00 PRO +ATOM 4625 HB2 ASN 327 -19.449 -1.424 13.722 1.00 0.00 PRO +ATOM 4626 CG ASN 327 -20.624 -2.241 12.125 1.00 0.00 PRO +ATOM 4627 OD1 ASN 327 -20.594 -3.413 11.764 1.00 0.00 PRO +ATOM 4628 ND2 ASN 327 -21.772 -1.523 12.137 1.00 0.00 PRO +ATOM 4629 HD21 ASN 327 -21.749 -0.548 12.341 1.00 0.00 PRO +ATOM 4630 HD22 ASN 327 -22.614 -2.002 11.855 1.00 0.00 PRO +ATOM 4631 C ASN 327 -17.754 -3.462 12.789 1.00 0.00 PRO +ATOM 4632 O ASN 327 -17.570 -4.451 12.065 1.00 0.00 PRO +ATOM 4633 N ASP 328 -17.700 -3.579 14.127 1.00 0.00 PRO +ATOM 4634 HN ASP 328 -17.793 -2.786 14.727 1.00 0.00 PRO +ATOM 4635 CA ASP 328 -17.409 -4.826 14.811 1.00 0.00 PRO +ATOM 4636 HA ASP 328 -16.443 -5.166 14.458 1.00 0.00 PRO +ATOM 4637 CB ASP 328 -17.349 -4.615 16.347 1.00 0.00 PRO +ATOM 4638 HB1 ASP 328 -17.187 -5.587 16.858 1.00 0.00 PRO +ATOM 4639 HB2 ASP 328 -18.307 -4.181 16.698 1.00 0.00 PRO +ATOM 4640 CG ASP 328 -16.224 -3.681 16.766 1.00 0.00 PRO +ATOM 4641 OD1 ASP 328 -15.041 -4.143 16.809 1.00 0.00 PRO +ATOM 4642 OD2 ASP 328 -16.525 -2.501 17.056 1.00 0.00 PRO +ATOM 4643 C ASP 328 -18.410 -5.939 14.480 1.00 0.00 PRO +ATOM 4644 O ASP 328 -18.015 -7.105 14.321 1.00 0.00 PRO +ATOM 4645 N ASP 329 -19.716 -5.612 14.343 1.00 0.00 PRO +ATOM 4646 HN ASP 329 -20.019 -4.676 14.487 1.00 0.00 PRO +ATOM 4647 CA ASP 329 -20.764 -6.542 13.935 1.00 0.00 PRO +ATOM 4648 HA ASP 329 -20.734 -7.373 14.623 1.00 0.00 PRO +ATOM 4649 CB ASP 329 -22.198 -5.902 13.969 1.00 0.00 PRO +ATOM 4650 HB1 ASP 329 -22.918 -6.620 13.521 1.00 0.00 PRO +ATOM 4651 HB2 ASP 329 -22.210 -4.973 13.365 1.00 0.00 PRO +ATOM 4652 CG ASP 329 -22.758 -5.590 15.358 1.00 0.00 PRO +ATOM 4653 OD1 ASP 329 -22.107 -5.965 16.379 1.00 0.00 PRO +ATOM 4654 OD2 ASP 329 -23.889 -5.045 15.432 1.00 0.00 PRO +ATOM 4655 C ASP 329 -20.505 -7.121 12.545 1.00 0.00 PRO +ATOM 4656 O ASP 329 -20.646 -8.354 12.359 1.00 0.00 PRO +ATOM 4657 N TYR 330 -20.087 -6.320 11.551 1.00 0.00 PRO +ATOM 4658 HN TYR 330 -20.010 -5.322 11.704 1.00 0.00 PRO +ATOM 4659 CA TYR 330 -19.672 -6.781 10.232 1.00 0.00 PRO +ATOM 4660 HA TYR 330 -20.487 -7.356 9.812 1.00 0.00 PRO +ATOM 4661 CB TYR 330 -19.384 -5.579 9.268 1.00 0.00 PRO +ATOM 4662 HB1 TYR 330 -18.697 -4.867 9.769 1.00 0.00 PRO +ATOM 4663 HB2 TYR 330 -20.321 -5.035 9.039 1.00 0.00 PRO +ATOM 4664 CG TYR 330 -18.746 -6.004 7.959 1.00 0.00 PRO +ATOM 4665 CD1 TYR 330 -19.493 -6.699 6.992 1.00 0.00 PRO +ATOM 4666 HD1 TYR 330 -20.541 -6.884 7.154 1.00 0.00 PRO +ATOM 4667 CE1 TYR 330 -18.869 -7.201 5.839 1.00 0.00 PRO +ATOM 4668 HE1 TYR 330 -19.435 -7.756 5.108 1.00 0.00 PRO +ATOM 4669 CZ TYR 330 -17.495 -7.027 5.651 1.00 0.00 PRO +ATOM 4670 OH TYR 330 -16.870 -7.585 4.517 1.00 0.00 PRO +ATOM 4671 HH TYR 330 -15.917 -7.709 4.694 1.00 0.00 PRO +ATOM 4672 CD2 TYR 330 -17.377 -5.787 7.728 1.00 0.00 PRO +ATOM 4673 HD2 TYR 330 -16.782 -5.270 8.465 1.00 0.00 PRO +ATOM 4674 CE2 TYR 330 -16.747 -6.313 6.589 1.00 0.00 PRO +ATOM 4675 HE2 TYR 330 -15.681 -6.200 6.442 1.00 0.00 PRO +ATOM 4676 C TYR 330 -18.485 -7.743 10.289 1.00 0.00 PRO +ATOM 4677 O TYR 330 -18.527 -8.833 9.742 1.00 0.00 PRO +ATOM 4678 N CYS 331 -17.421 -7.362 11.021 1.00 0.00 PRO +ATOM 4679 HN CYS 331 -17.424 -6.477 11.481 1.00 0.00 PRO +ATOM 4680 CA CYS 331 -16.193 -8.150 11.080 1.00 0.00 PRO +ATOM 4681 HA CYS 331 -15.909 -8.396 10.066 1.00 0.00 PRO +ATOM 4682 CB CYS 331 -15.063 -7.336 11.754 1.00 0.00 PRO +ATOM 4683 HB1 CYS 331 -14.133 -7.947 11.763 1.00 0.00 PRO +ATOM 4684 HB2 CYS 331 -15.352 -7.101 12.797 1.00 0.00 PRO +ATOM 4685 SG CYS 331 -14.737 -5.786 10.869 1.00 0.00 PRO +ATOM 4686 C CYS 331 -16.380 -9.454 11.807 1.00 0.00 PRO +ATOM 4687 O CYS 331 -15.837 -10.511 11.412 1.00 0.00 PRO +ATOM 4688 N THR 332 -17.177 -9.463 12.874 1.00 0.00 PRO +ATOM 4689 HN THR 332 -17.606 -8.591 13.147 1.00 0.00 PRO +ATOM 4690 CA THR 332 -17.567 -10.668 13.602 1.00 0.00 PRO +ATOM 4691 HA THR 332 -16.662 -11.179 13.902 1.00 0.00 PRO +ATOM 4692 CB THR 332 -18.407 -10.352 14.840 1.00 0.00 PRO +ATOM 4693 HB THR 332 -19.358 -9.853 14.536 1.00 0.00 PRO +ATOM 4694 OG1 THR 332 -17.713 -9.473 15.720 1.00 0.00 PRO +ATOM 4695 HG1 THR 332 -17.637 -8.633 15.235 1.00 0.00 PRO +ATOM 4696 CG2 THR 332 -18.719 -11.625 15.641 1.00 0.00 PRO +ATOM 4697 HG21 THR 332 -17.771 -12.113 15.953 1.00 0.00 PRO +ATOM 4698 HG22 THR 332 -19.288 -12.354 15.030 1.00 0.00 PRO +ATOM 4699 HG23 THR 332 -19.304 -11.376 16.549 1.00 0.00 PRO +ATOM 4700 C THR 332 -18.365 -11.605 12.717 1.00 0.00 PRO +ATOM 4701 O THR 332 -18.158 -12.841 12.712 1.00 0.00 PRO +ATOM 4702 N ALA 333 -19.311 -11.074 11.935 1.00 0.00 PRO +ATOM 4703 HN ALA 333 -19.465 -10.078 11.927 1.00 0.00 PRO +ATOM 4704 CA ALA 333 -20.070 -11.816 10.946 1.00 0.00 PRO +ATOM 4705 HA ALA 333 -20.529 -12.653 11.446 1.00 0.00 PRO +ATOM 4706 CB ALA 333 -21.162 -10.917 10.333 1.00 0.00 PRO +ATOM 4707 HB1 ALA 333 -20.710 -10.051 9.802 1.00 0.00 PRO +ATOM 4708 HB2 ALA 333 -21.827 -10.522 11.127 1.00 0.00 PRO +ATOM 4709 HB3 ALA 333 -21.772 -11.489 9.602 1.00 0.00 PRO +ATOM 4710 C ALA 333 -19.205 -12.375 9.841 1.00 0.00 PRO +ATOM 4711 O ALA 333 -19.368 -13.565 9.463 1.00 0.00 PRO +ATOM 4712 N GLU 334 -18.262 -11.613 9.308 1.00 0.00 PRO +ATOM 4713 HN GLU 334 -18.162 -10.639 9.590 1.00 0.00 PRO +ATOM 4714 CA GLU 334 -17.356 -12.020 8.263 1.00 0.00 PRO +ATOM 4715 HA GLU 334 -17.953 -12.356 7.427 1.00 0.00 PRO +ATOM 4716 CB GLU 334 -16.499 -10.834 7.796 1.00 0.00 PRO +ATOM 4717 HB1 GLU 334 -15.835 -10.478 8.614 1.00 0.00 PRO +ATOM 4718 HB2 GLU 334 -17.167 -9.981 7.529 1.00 0.00 PRO +ATOM 4719 CG GLU 334 -15.653 -11.186 6.555 1.00 0.00 PRO +ATOM 4720 HG1 GLU 334 -16.332 -11.480 5.729 1.00 0.00 PRO +ATOM 4721 HG2 GLU 334 -14.937 -12.008 6.742 1.00 0.00 PRO +ATOM 4722 CD GLU 334 -14.848 -9.992 6.063 1.00 0.00 PRO +ATOM 4723 OE1 GLU 334 -14.656 -9.029 6.800 1.00 0.00 PRO +ATOM 4724 OE2 GLU 334 -14.459 -10.099 4.844 1.00 0.00 PRO +ATOM 4725 C GLU 334 -16.478 -13.203 8.649 1.00 0.00 PRO +ATOM 4726 O GLU 334 -16.394 -14.193 7.935 1.00 0.00 PRO +ATOM 4727 N GLU 335 -15.886 -13.161 9.865 1.00 0.00 PRO +ATOM 4728 HN GLU 335 -15.936 -12.332 10.419 1.00 0.00 PRO +ATOM 4729 CA GLU 335 -15.135 -14.278 10.427 1.00 0.00 PRO +ATOM 4730 HA GLU 335 -14.354 -14.531 9.724 1.00 0.00 PRO +ATOM 4731 CB GLU 335 -14.479 -13.897 11.782 1.00 0.00 PRO +ATOM 4732 HB1 GLU 335 -14.058 -14.815 12.252 1.00 0.00 PRO +ATOM 4733 HB2 GLU 335 -15.260 -13.482 12.457 1.00 0.00 PRO +ATOM 4734 CG GLU 335 -13.304 -12.881 11.685 1.00 0.00 PRO +ATOM 4735 HG1 GLU 335 -13.673 -11.926 11.262 1.00 0.00 PRO +ATOM 4736 HG2 GLU 335 -12.517 -13.274 11.012 1.00 0.00 PRO +ATOM 4737 CD GLU 335 -12.713 -12.598 13.068 1.00 0.00 PRO +ATOM 4738 OE1 GLU 335 -13.464 -12.573 14.043 1.00 0.00 PRO +ATOM 4739 OE2 GLU 335 -11.441 -12.424 13.194 1.00 0.00 PRO +ATOM 4740 C GLU 335 -15.986 -15.525 10.625 1.00 0.00 PRO +ATOM 4741 O GLU 335 -15.536 -16.676 10.447 1.00 0.00 PRO +ATOM 4742 N ALA 336 -17.251 -15.395 11.031 1.00 0.00 PRO +ATOM 4743 HN ALA 336 -17.615 -14.469 11.186 1.00 0.00 PRO +ATOM 4744 CA ALA 336 -18.184 -16.507 11.103 1.00 0.00 PRO +ATOM 4745 HA ALA 336 -17.710 -17.289 11.673 1.00 0.00 PRO +ATOM 4746 CB ALA 336 -19.465 -16.069 11.837 1.00 0.00 PRO +ATOM 4747 HB1 ALA 336 -20.023 -15.322 11.232 1.00 0.00 PRO +ATOM 4748 HB2 ALA 336 -19.201 -15.598 12.808 1.00 0.00 PRO +ATOM 4749 HB3 ALA 336 -20.121 -16.945 12.025 1.00 0.00 PRO +ATOM 4750 C ALA 336 -18.532 -17.133 9.764 1.00 0.00 PRO +ATOM 4751 O ALA 336 -18.599 -18.384 9.660 1.00 0.00 PRO +ATOM 4752 N GLU 337 -18.763 -16.340 8.723 1.00 0.00 PRO +ATOM 4753 HN GLU 337 -18.693 -15.336 8.835 1.00 0.00 PRO +ATOM 4754 CA GLU 337 -19.268 -16.804 7.445 1.00 0.00 PRO +ATOM 4755 HA GLU 337 -19.892 -17.671 7.607 1.00 0.00 PRO +ATOM 4756 CB GLU 337 -20.133 -15.701 6.783 1.00 0.00 PRO +ATOM 4757 HB1 GLU 337 -20.388 -15.983 5.737 1.00 0.00 PRO +ATOM 4758 HB2 GLU 337 -19.530 -14.763 6.737 1.00 0.00 PRO +ATOM 4759 CG GLU 337 -21.461 -15.402 7.534 1.00 0.00 PRO +ATOM 4760 HG1 GLU 337 -21.940 -14.527 7.052 1.00 0.00 PRO +ATOM 4761 HG2 GLU 337 -21.247 -15.134 8.589 1.00 0.00 PRO +ATOM 4762 CD GLU 337 -22.470 -16.552 7.528 1.00 0.00 PRO +ATOM 4763 OE1 GLU 337 -22.960 -16.892 6.396 1.00 0.00 PRO +ATOM 4764 OE2 GLU 337 -22.810 -17.085 8.597 1.00 0.00 PRO +ATOM 4765 C GLU 337 -18.165 -17.210 6.491 1.00 0.00 PRO +ATOM 4766 O GLU 337 -18.293 -18.251 5.801 1.00 0.00 PRO +ATOM 4767 N PHE 338 -17.064 -16.458 6.416 1.00 0.00 PRO +ATOM 4768 HN PHE 338 -16.965 -15.623 6.986 1.00 0.00 PRO +ATOM 4769 CA PHE 338 -15.954 -16.678 5.493 1.00 0.00 PRO +ATOM 4770 HA PHE 338 -16.252 -17.368 4.714 1.00 0.00 PRO +ATOM 4771 CB PHE 338 -15.445 -15.350 4.855 1.00 0.00 PRO +ATOM 4772 HB1 PHE 338 -14.587 -15.572 4.184 1.00 0.00 PRO +ATOM 4773 HB2 PHE 338 -15.092 -14.664 5.659 1.00 0.00 PRO +ATOM 4774 CG PHE 338 -16.438 -14.583 4.014 1.00 0.00 PRO +ATOM 4775 CD1 PHE 338 -17.664 -15.108 3.562 1.00 0.00 PRO +ATOM 4776 HD1 PHE 338 -17.959 -16.104 3.844 1.00 0.00 PRO +ATOM 4777 CE1 PHE 338 -18.505 -14.352 2.734 1.00 0.00 PRO +ATOM 4778 HE1 PHE 338 -19.448 -14.759 2.406 1.00 0.00 PRO +ATOM 4779 CZ PHE 338 -18.124 -13.064 2.336 1.00 0.00 PRO +ATOM 4780 HZ PHE 338 -18.764 -12.477 1.694 1.00 0.00 PRO +ATOM 4781 CD2 PHE 338 -16.082 -13.283 3.617 1.00 0.00 PRO +ATOM 4782 HD2 PHE 338 -15.153 -12.848 3.966 1.00 0.00 PRO +ATOM 4783 CE2 PHE 338 -16.912 -12.527 2.784 1.00 0.00 PRO +ATOM 4784 HE2 PHE 338 -16.610 -11.525 2.508 1.00 0.00 PRO +ATOM 4785 C PHE 338 -14.779 -17.304 6.209 1.00 0.00 PRO +ATOM 4786 O PHE 338 -13.755 -17.644 5.583 1.00 0.00 PRO +ATOM 4787 N GLY 339 -14.868 -17.526 7.522 1.00 0.00 PRO +ATOM 4788 HN GLY 339 -15.660 -17.173 8.028 1.00 0.00 PRO +ATOM 4789 CA GLY 339 -13.798 -18.112 8.308 1.00 0.00 PRO +ATOM 4790 HA1 GLY 339 -13.359 -18.918 7.737 1.00 0.00 PRO +ATOM 4791 HA2 GLY 339 -14.225 -18.444 9.239 1.00 0.00 PRO +ATOM 4792 C GLY 339 -12.675 -17.180 8.653 1.00 0.00 PRO +ATOM 4793 O GLY 339 -12.599 -16.031 8.215 1.00 0.00 PRO +ATOM 4794 N GLY 340 -11.754 -17.692 9.483 1.00 0.00 PRO +ATOM 4795 HN GLY 340 -11.918 -18.602 9.859 1.00 0.00 PRO +ATOM 4796 CA GLY 340 -10.633 -16.937 10.014 1.00 0.00 PRO +ATOM 4797 HA1 GLY 340 -10.441 -16.058 9.409 1.00 0.00 PRO +ATOM 4798 HA2 GLY 340 -9.789 -17.609 10.059 1.00 0.00 PRO +ATOM 4799 C GLY 340 -10.883 -16.480 11.420 1.00 0.00 PRO +ATOM 4800 O GLY 340 -11.902 -16.777 12.052 1.00 0.00 PRO +ATOM 4801 N SER 341 -9.886 -15.781 11.969 1.00 0.00 PRO +ATOM 4802 HN SER 341 -9.089 -15.549 11.423 1.00 0.00 PRO +ATOM 4803 CA SER 341 -9.946 -15.289 13.330 1.00 0.00 PRO +ATOM 4804 HA SER 341 -10.877 -14.755 13.452 1.00 0.00 PRO +ATOM 4805 CB SER 341 -9.846 -16.416 14.406 1.00 0.00 PRO +ATOM 4806 HB1 SER 341 -10.686 -17.122 14.228 1.00 0.00 PRO +ATOM 4807 HB2 SER 341 -9.966 -15.969 15.418 1.00 0.00 PRO +ATOM 4808 OG SER 341 -8.627 -17.168 14.372 1.00 0.00 PRO +ATOM 4809 HG1 SER 341 -7.912 -16.516 14.433 1.00 0.00 PRO +ATOM 4810 C SER 341 -8.836 -14.309 13.615 1.00 0.00 PRO +ATOM 4811 O SER 341 -8.726 -13.784 14.719 1.00 0.00 PRO +ATOM 4812 N SER 342 -7.950 -14.034 12.646 1.00 0.00 PRO +ATOM 4813 HN SER 342 -8.019 -14.377 11.712 1.00 0.00 PRO +ATOM 4814 CA SER 342 -6.803 -13.169 12.824 1.00 0.00 PRO +ATOM 4815 HA SER 342 -6.247 -13.566 13.661 1.00 0.00 PRO +ATOM 4816 CB SER 342 -5.860 -13.240 11.602 1.00 0.00 PRO +ATOM 4817 HB1 SER 342 -5.387 -14.248 11.605 1.00 0.00 PRO +ATOM 4818 HB2 SER 342 -5.053 -12.479 11.648 1.00 0.00 PRO +ATOM 4819 OG SER 342 -6.582 -13.107 10.378 1.00 0.00 PRO +ATOM 4820 HG1 SER 342 -6.554 -12.154 10.148 1.00 0.00 PRO +ATOM 4821 C SER 342 -7.138 -11.741 13.217 1.00 0.00 PRO +ATOM 4822 O SER 342 -6.462 -11.169 14.079 1.00 0.00 PRO +ATOM 4823 N PHE 343 -8.212 -11.151 12.649 1.00 0.00 PRO +ATOM 4824 HN PHE 343 -8.746 -11.633 11.955 1.00 0.00 PRO +ATOM 4825 CA PHE 343 -8.688 -9.821 13.004 1.00 0.00 PRO +ATOM 4826 HA PHE 343 -7.857 -9.141 12.888 1.00 0.00 PRO +ATOM 4827 CB PHE 343 -9.835 -9.396 12.033 1.00 0.00 PRO +ATOM 4828 HB1 PHE 343 -10.711 -10.071 12.140 1.00 0.00 PRO +ATOM 4829 HB2 PHE 343 -9.464 -9.504 10.986 1.00 0.00 PRO +ATOM 4830 CG PHE 343 -10.283 -7.960 12.209 1.00 0.00 PRO +ATOM 4831 CD1 PHE 343 -9.555 -6.930 11.593 1.00 0.00 PRO +ATOM 4832 HD1 PHE 343 -8.661 -7.177 11.039 1.00 0.00 PRO +ATOM 4833 CE1 PHE 343 -9.993 -5.603 11.644 1.00 0.00 PRO +ATOM 4834 HE1 PHE 343 -9.430 -4.835 11.134 1.00 0.00 PRO +ATOM 4835 CZ PHE 343 -11.174 -5.286 12.316 1.00 0.00 PRO +ATOM 4836 HZ PHE 343 -11.523 -4.267 12.319 1.00 0.00 PRO +ATOM 4837 CD2 PHE 343 -11.477 -7.630 12.876 1.00 0.00 PRO +ATOM 4838 HD2 PHE 343 -12.065 -8.422 13.316 1.00 0.00 PRO +ATOM 4839 CE2 PHE 343 -11.919 -6.298 12.931 1.00 0.00 PRO +ATOM 4840 HE2 PHE 343 -12.853 -6.051 13.407 1.00 0.00 PRO +ATOM 4841 C PHE 343 -9.129 -9.730 14.464 1.00 0.00 PRO +ATOM 4842 O PHE 343 -8.741 -8.832 15.220 1.00 0.00 PRO +ATOM 4843 N SER 344 -9.928 -10.711 14.931 1.00 0.00 PRO +ATOM 4844 HN SER 344 -10.268 -11.419 14.291 1.00 0.00 PRO +ATOM 4845 CA SER 344 -10.355 -10.807 16.321 1.00 0.00 PRO +ATOM 4846 HA SER 344 -10.705 -9.821 16.592 1.00 0.00 PRO +ATOM 4847 CB SER 344 -11.552 -11.762 16.552 1.00 0.00 PRO +ATOM 4848 HB1 SER 344 -12.419 -11.371 15.972 1.00 0.00 PRO +ATOM 4849 HB2 SER 344 -11.839 -11.771 17.624 1.00 0.00 PRO +ATOM 4850 OG SER 344 -11.289 -13.092 16.107 1.00 0.00 PRO +ATOM 4851 HG1 SER 344 -11.369 -13.030 15.132 1.00 0.00 PRO +ATOM 4852 C SER 344 -9.246 -11.120 17.313 1.00 0.00 PRO +ATOM 4853 O SER 344 -9.230 -10.566 18.416 1.00 0.00 PRO +ATOM 4854 N ASP 345 -8.269 -11.976 16.918 1.00 0.00 PRO +ATOM 4855 HN ASP 345 -8.380 -12.445 16.034 1.00 0.00 PRO +ATOM 4856 CA ASP 345 -7.073 -12.333 17.673 1.00 0.00 PRO +ATOM 4857 HA ASP 345 -7.387 -12.746 18.621 1.00 0.00 PRO +ATOM 4858 CB ASP 345 -6.167 -13.365 16.910 1.00 0.00 PRO +ATOM 4859 HB1 ASP 345 -5.197 -13.458 17.442 1.00 0.00 PRO +ATOM 4860 HB2 ASP 345 -5.975 -12.981 15.888 1.00 0.00 PRO +ATOM 4861 CG ASP 345 -6.706 -14.794 16.796 1.00 0.00 PRO +ATOM 4862 OD1 ASP 345 -7.641 -15.191 17.526 1.00 0.00 PRO +ATOM 4863 OD2 ASP 345 -6.047 -15.583 16.040 1.00 0.00 PRO +ATOM 4864 C ASP 345 -6.223 -11.097 17.984 1.00 0.00 PRO +ATOM 4865 O ASP 345 -5.651 -10.951 19.067 1.00 0.00 PRO +ATOM 4866 N LYS 346 -6.129 -10.157 17.023 1.00 0.00 PRO +ATOM 4867 HN LYS 346 -6.581 -10.309 16.138 1.00 0.00 PRO +ATOM 4868 CA LYS 346 -5.344 -8.941 17.146 1.00 0.00 PRO +ATOM 4869 HA LYS 346 -4.563 -9.094 17.878 1.00 0.00 PRO +ATOM 4870 CB LYS 346 -4.644 -8.584 15.809 1.00 0.00 PRO +ATOM 4871 HB1 LYS 346 -4.439 -7.490 15.745 1.00 0.00 PRO +ATOM 4872 HB2 LYS 346 -5.328 -8.835 14.967 1.00 0.00 PRO +ATOM 4873 CG LYS 346 -3.286 -9.281 15.602 1.00 0.00 PRO +ATOM 4874 HG1 LYS 346 -2.585 -8.925 16.388 1.00 0.00 PRO +ATOM 4875 HG2 LYS 346 -2.879 -8.942 14.622 1.00 0.00 PRO +ATOM 4876 CD LYS 346 -3.328 -10.819 15.615 1.00 0.00 PRO +ATOM 4877 HD1 LYS 346 -4.018 -11.152 14.807 1.00 0.00 PRO +ATOM 4878 HD2 LYS 346 -3.740 -11.164 16.588 1.00 0.00 PRO +ATOM 4879 CE LYS 346 -1.941 -11.430 15.414 1.00 0.00 PRO +ATOM 4880 HE1 LYS 346 -1.271 -11.138 16.254 1.00 0.00 PRO +ATOM 4881 HE2 LYS 346 -1.489 -11.083 14.467 1.00 0.00 PRO +ATOM 4882 NZ LYS 346 -2.009 -12.900 15.369 1.00 0.00 PRO +ATOM 4883 HZ1 LYS 346 -2.640 -13.231 14.603 1.00 0.00 PRO +ATOM 4884 HZ2 LYS 346 -2.402 -13.259 16.255 1.00 0.00 PRO +ATOM 4885 HZ3 LYS 346 -1.049 -13.279 15.205 1.00 0.00 PRO +ATOM 4886 C LYS 346 -6.155 -7.780 17.691 1.00 0.00 PRO +ATOM 4887 O LYS 346 -5.679 -6.653 17.797 1.00 0.00 PRO +ATOM 4888 N GLY 347 -7.401 -8.046 18.125 1.00 0.00 PRO +ATOM 4889 HN GLY 347 -7.761 -8.968 17.973 1.00 0.00 PRO +ATOM 4890 CA GLY 347 -8.162 -7.140 18.975 1.00 0.00 PRO +ATOM 4891 HA1 GLY 347 -7.486 -6.478 19.495 1.00 0.00 PRO +ATOM 4892 HA2 GLY 347 -8.719 -7.763 19.655 1.00 0.00 PRO +ATOM 4893 C GLY 347 -9.153 -6.290 18.236 1.00 0.00 PRO +ATOM 4894 O GLY 347 -9.722 -5.356 18.813 1.00 0.00 PRO +ATOM 4895 N GLY 348 -9.403 -6.615 16.952 1.00 0.00 PRO +ATOM 4896 HN GLY 348 -8.893 -7.378 16.535 1.00 0.00 PRO +ATOM 4897 CA GLY 348 -10.326 -5.949 16.041 1.00 0.00 PRO +ATOM 4898 HA1 GLY 348 -11.327 -6.216 16.356 1.00 0.00 PRO +ATOM 4899 HA2 GLY 348 -10.094 -6.319 15.052 1.00 0.00 PRO +ATOM 4900 C GLY 348 -10.256 -4.447 15.972 1.00 0.00 PRO +ATOM 4901 O GLY 348 -9.182 -3.826 16.132 1.00 0.00 PRO +ATOM 4902 N LEU 349 -11.390 -3.769 15.755 1.00 0.00 PRO +ATOM 4903 HN LEU 349 -12.273 -4.238 15.661 1.00 0.00 PRO +ATOM 4904 CA LEU 349 -11.442 -2.324 15.578 1.00 0.00 PRO +ATOM 4905 HA LEU 349 -10.733 -2.075 14.808 1.00 0.00 PRO +ATOM 4906 CB LEU 349 -12.840 -1.838 15.139 1.00 0.00 PRO +ATOM 4907 HB1 LEU 349 -12.886 -0.725 15.159 1.00 0.00 PRO +ATOM 4908 HB2 LEU 349 -13.604 -2.222 15.854 1.00 0.00 PRO +ATOM 4909 CG LEU 349 -13.247 -2.258 13.713 1.00 0.00 PRO +ATOM 4910 HG LEU 349 -13.191 -3.369 13.633 1.00 0.00 PRO +ATOM 4911 CD1 LEU 349 -14.700 -1.848 13.457 1.00 0.00 PRO +ATOM 4912 HD11 LEU 349 -14.799 -0.742 13.476 1.00 0.00 PRO +ATOM 4913 HD12 LEU 349 -15.355 -2.277 14.244 1.00 0.00 PRO +ATOM 4914 HD13 LEU 349 -15.031 -2.216 12.463 1.00 0.00 PRO +ATOM 4915 CD2 LEU 349 -12.347 -1.633 12.636 1.00 0.00 PRO +ATOM 4916 HD21 LEU 349 -11.291 -1.956 12.744 1.00 0.00 PRO +ATOM 4917 HD22 LEU 349 -12.388 -0.524 12.693 1.00 0.00 PRO +ATOM 4918 HD23 LEU 349 -12.696 -1.938 11.626 1.00 0.00 PRO +ATOM 4919 C LEU 349 -11.034 -1.568 16.825 1.00 0.00 PRO +ATOM 4920 O LEU 349 -10.520 -0.438 16.772 1.00 0.00 PRO +ATOM 4921 N THR 350 -11.219 -2.157 18.007 1.00 0.00 PRO +ATOM 4922 HN THR 350 -11.600 -3.084 17.993 1.00 0.00 PRO +ATOM 4923 CA THR 350 -10.762 -1.587 19.271 1.00 0.00 PRO +ATOM 4924 HA THR 350 -11.160 -0.588 19.326 1.00 0.00 PRO +ATOM 4925 CB THR 350 -11.281 -2.381 20.457 1.00 0.00 PRO +ATOM 4926 HB THR 350 -11.106 -3.469 20.271 1.00 0.00 PRO +ATOM 4927 OG1 THR 350 -12.669 -2.112 20.607 1.00 0.00 PRO +ATOM 4928 HG1 THR 350 -13.108 -2.472 19.820 1.00 0.00 PRO +ATOM 4929 CG2 THR 350 -10.631 -1.998 21.798 1.00 0.00 PRO +ATOM 4930 HG21 THR 350 -10.722 -0.910 21.985 1.00 0.00 PRO +ATOM 4931 HG22 THR 350 -9.556 -2.273 21.828 1.00 0.00 PRO +ATOM 4932 HG23 THR 350 -11.132 -2.548 22.624 1.00 0.00 PRO +ATOM 4933 C THR 350 -9.268 -1.425 19.376 1.00 0.00 PRO +ATOM 4934 O THR 350 -8.777 -0.359 19.806 1.00 0.00 PRO +ATOM 4935 N GLN 351 -8.486 -2.434 18.982 1.00 0.00 PRO +ATOM 4936 HN GLN 351 -8.886 -3.289 18.627 1.00 0.00 PRO +ATOM 4937 CA GLN 351 -7.045 -2.320 18.867 1.00 0.00 PRO +ATOM 4938 HA GLN 351 -6.678 -1.901 19.791 1.00 0.00 PRO +ATOM 4939 CB GLN 351 -6.394 -3.697 18.623 1.00 0.00 PRO +ATOM 4940 HB1 GLN 351 -6.815 -4.152 17.695 1.00 0.00 PRO +ATOM 4941 HB2 GLN 351 -6.672 -4.373 19.461 1.00 0.00 PRO +ATOM 4942 CG GLN 351 -4.850 -3.668 18.499 1.00 0.00 PRO +ATOM 4943 HG1 GLN 351 -4.560 -3.113 17.581 1.00 0.00 PRO +ATOM 4944 HG2 GLN 351 -4.457 -4.699 18.389 1.00 0.00 PRO +ATOM 4945 CD GLN 351 -4.165 -3.034 19.715 1.00 0.00 PRO +ATOM 4946 OE1 GLN 351 -4.689 -2.857 20.804 1.00 0.00 PRO +ATOM 4947 NE2 GLN 351 -2.870 -2.683 19.512 1.00 0.00 PRO +ATOM 4948 HE21 GLN 351 -2.454 -2.913 18.630 1.00 0.00 PRO +ATOM 4949 HE22 GLN 351 -2.334 -2.407 20.302 1.00 0.00 PRO +ATOM 4950 C GLN 351 -6.629 -1.375 17.764 1.00 0.00 PRO +ATOM 4951 O GLN 351 -5.738 -0.522 17.944 1.00 0.00 PRO +ATOM 4952 N PHE 352 -7.303 -1.473 16.614 1.00 0.00 PRO +ATOM 4953 HN PHE 352 -8.013 -2.182 16.520 1.00 0.00 PRO +ATOM 4954 CA PHE 352 -7.058 -0.706 15.410 1.00 0.00 PRO +ATOM 4955 HA PHE 352 -6.030 -0.881 15.128 1.00 0.00 PRO +ATOM 4956 CB PHE 352 -8.017 -1.208 14.299 1.00 0.00 PRO +ATOM 4957 HB1 PHE 352 -9.065 -0.953 14.546 1.00 0.00 PRO +ATOM 4958 HB2 PHE 352 -7.939 -2.307 14.162 1.00 0.00 PRO +ATOM 4959 CG PHE 352 -7.656 -0.561 13.006 1.00 0.00 PRO +ATOM 4960 CD1 PHE 352 -6.393 -0.819 12.460 1.00 0.00 PRO +ATOM 4961 HD1 PHE 352 -5.731 -1.531 12.928 1.00 0.00 PRO +ATOM 4962 CE1 PHE 352 -5.960 -0.129 11.330 1.00 0.00 PRO +ATOM 4963 HE1 PHE 352 -4.975 -0.323 10.931 1.00 0.00 PRO +ATOM 4964 CZ PHE 352 -6.804 0.802 10.724 1.00 0.00 PRO +ATOM 4965 HZ PHE 352 -6.471 1.308 9.839 1.00 0.00 PRO +ATOM 4966 CD2 PHE 352 -8.508 0.366 12.384 1.00 0.00 PRO +ATOM 4967 HD2 PHE 352 -9.481 0.572 12.802 1.00 0.00 PRO +ATOM 4968 CE2 PHE 352 -8.079 1.053 11.244 1.00 0.00 PRO +ATOM 4969 HE2 PHE 352 -8.728 1.770 10.763 1.00 0.00 PRO +ATOM 4970 C PHE 352 -7.218 0.794 15.641 1.00 0.00 PRO +ATOM 4971 O PHE 352 -6.465 1.633 15.120 1.00 0.00 PRO +ATOM 4972 N LYS 353 -8.179 1.180 16.481 1.00 0.00 PRO +ATOM 4973 HN LYS 353 -8.772 0.467 16.871 1.00 0.00 PRO +ATOM 4974 CA LYS 353 -8.528 2.546 16.810 1.00 0.00 PRO +ATOM 4975 HA LYS 353 -8.809 3.029 15.885 1.00 0.00 PRO +ATOM 4976 CB LYS 353 -9.741 2.525 17.766 1.00 0.00 PRO +ATOM 4977 HB1 LYS 353 -9.491 1.896 18.651 1.00 0.00 PRO +ATOM 4978 HB2 LYS 353 -10.572 2.017 17.225 1.00 0.00 PRO +ATOM 4979 CG LYS 353 -10.232 3.896 18.243 1.00 0.00 PRO +ATOM 4980 HG1 LYS 353 -10.418 4.539 17.352 1.00 0.00 PRO +ATOM 4981 HG2 LYS 353 -9.455 4.392 18.868 1.00 0.00 PRO +ATOM 4982 CD LYS 353 -11.519 3.745 19.063 1.00 0.00 PRO +ATOM 4983 HD1 LYS 353 -11.265 3.147 19.967 1.00 0.00 PRO +ATOM 4984 HD2 LYS 353 -12.252 3.168 18.452 1.00 0.00 PRO +ATOM 4985 CE LYS 353 -12.138 5.079 19.465 1.00 0.00 PRO +ATOM 4986 HE1 LYS 353 -12.503 5.619 18.564 1.00 0.00 PRO +ATOM 4987 HE2 LYS 353 -11.402 5.723 19.981 1.00 0.00 PRO +ATOM 4988 NZ LYS 353 -13.285 4.839 20.364 1.00 0.00 PRO +ATOM 4989 HZ1 LYS 353 -12.983 4.431 21.274 1.00 0.00 PRO +ATOM 4990 HZ2 LYS 353 -13.939 4.182 19.880 1.00 0.00 PRO +ATOM 4991 HZ3 LYS 353 -13.778 5.741 20.516 1.00 0.00 PRO +ATOM 4992 C LYS 353 -7.382 3.345 17.408 1.00 0.00 PRO +ATOM 4993 O LYS 353 -7.293 4.579 17.259 1.00 0.00 PRO +ATOM 4994 N LYS 354 -6.458 2.672 18.105 1.00 0.00 PRO +ATOM 4995 HN LYS 354 -6.551 1.675 18.181 1.00 0.00 PRO +ATOM 4996 CA LYS 354 -5.214 3.233 18.595 1.00 0.00 PRO +ATOM 4997 HA LYS 354 -5.459 4.084 19.212 1.00 0.00 PRO +ATOM 4998 CB LYS 354 -4.441 2.191 19.437 1.00 0.00 PRO +ATOM 4999 HB1 LYS 354 -3.514 2.661 19.840 1.00 0.00 PRO +ATOM 5000 HB2 LYS 354 -4.135 1.347 18.776 1.00 0.00 PRO +ATOM 5001 CG LYS 354 -5.254 1.616 20.608 1.00 0.00 PRO +ATOM 5002 HG1 LYS 354 -6.199 1.170 20.218 1.00 0.00 PRO +ATOM 5003 HG2 LYS 354 -5.531 2.435 21.306 1.00 0.00 PRO +ATOM 5004 CD LYS 354 -4.478 0.512 21.344 1.00 0.00 PRO +ATOM 5005 HD1 LYS 354 -3.537 0.942 21.755 1.00 0.00 PRO +ATOM 5006 HD2 LYS 354 -4.202 -0.255 20.583 1.00 0.00 PRO +ATOM 5007 CE LYS 354 -5.286 -0.152 22.464 1.00 0.00 PRO +ATOM 5008 HE1 LYS 354 -6.240 -0.553 22.053 1.00 0.00 PRO +ATOM 5009 HE2 LYS 354 -5.511 0.588 23.262 1.00 0.00 PRO +ATOM 5010 NZ LYS 354 -4.526 -1.276 23.049 1.00 0.00 PRO +ATOM 5011 HZ1 LYS 354 -3.548 -0.969 23.291 1.00 0.00 PRO +ATOM 5012 HZ2 LYS 354 -4.451 -2.033 22.318 1.00 0.00 PRO +ATOM 5013 HZ3 LYS 354 -4.988 -1.683 23.888 1.00 0.00 PRO +ATOM 5014 C LYS 354 -4.313 3.726 17.477 1.00 0.00 PRO +ATOM 5015 O LYS 354 -3.732 4.826 17.591 1.00 0.00 PRO +ATOM 5016 N ALA 355 -4.187 2.985 16.368 1.00 0.00 PRO +ATOM 5017 HN ALA 355 -4.721 2.138 16.254 1.00 0.00 PRO +ATOM 5018 CA ALA 355 -3.439 3.372 15.185 1.00 0.00 PRO +ATOM 5019 HA ALA 355 -2.422 3.588 15.483 1.00 0.00 PRO +ATOM 5020 CB ALA 355 -3.429 2.230 14.150 1.00 0.00 PRO +ATOM 5021 HB1 ALA 355 -4.439 2.043 13.728 1.00 0.00 PRO +ATOM 5022 HB2 ALA 355 -3.073 1.286 14.615 1.00 0.00 PRO +ATOM 5023 HB3 ALA 355 -2.745 2.474 13.307 1.00 0.00 PRO +ATOM 5024 C ALA 355 -3.987 4.637 14.549 1.00 0.00 PRO +ATOM 5025 O ALA 355 -3.254 5.578 14.249 1.00 0.00 PRO +ATOM 5026 N THR 356 -5.323 4.735 14.422 1.00 0.00 PRO +ATOM 5027 HN THR 356 -5.909 3.957 14.657 1.00 0.00 PRO +ATOM 5028 CA THR 356 -5.975 5.899 13.827 1.00 0.00 PRO +ATOM 5029 HA THR 356 -5.390 6.199 12.968 1.00 0.00 PRO +ATOM 5030 CB THR 356 -7.398 5.614 13.350 1.00 0.00 PRO +ATOM 5031 HB THR 356 -7.886 6.542 12.968 1.00 0.00 PRO +ATOM 5032 OG1 THR 356 -8.213 5.043 14.370 1.00 0.00 PRO +ATOM 5033 HG1 THR 356 -8.179 5.629 15.130 1.00 0.00 PRO +ATOM 5034 CG2 THR 356 -7.340 4.608 12.191 1.00 0.00 PRO +ATOM 5035 HG21 THR 356 -6.901 3.641 12.519 1.00 0.00 PRO +ATOM 5036 HG22 THR 356 -6.722 5.002 11.358 1.00 0.00 PRO +ATOM 5037 HG23 THR 356 -8.360 4.404 11.804 1.00 0.00 PRO +ATOM 5038 C THR 356 -6.022 7.090 14.763 1.00 0.00 PRO +ATOM 5039 O THR 356 -6.259 8.229 14.331 1.00 0.00 PRO +ATOM 5040 N SER 357 -5.825 6.873 16.075 1.00 0.00 PRO +ATOM 5041 HN SER 357 -5.697 5.927 16.383 1.00 0.00 PRO +ATOM 5042 CA SER 357 -5.686 7.930 17.076 1.00 0.00 PRO +ATOM 5043 HA SER 357 -6.381 8.724 16.847 1.00 0.00 PRO +ATOM 5044 CB SER 357 -5.934 7.437 18.526 1.00 0.00 PRO +ATOM 5045 HB1 SER 357 -5.818 8.286 19.238 1.00 0.00 PRO +ATOM 5046 HB2 SER 357 -5.194 6.651 18.800 1.00 0.00 PRO +ATOM 5047 OG SER 357 -7.249 6.910 18.679 1.00 0.00 PRO +ATOM 5048 HG1 SER 357 -7.289 6.096 18.142 1.00 0.00 PRO +ATOM 5049 C SER 357 -4.295 8.521 17.090 1.00 0.00 PRO +ATOM 5050 O SER 357 -4.093 9.656 17.548 1.00 0.00 PRO +ATOM 5051 N GLY 358 -3.299 7.764 16.608 1.00 0.00 PRO +ATOM 5052 HN GLY 358 -3.500 6.836 16.279 1.00 0.00 PRO +ATOM 5053 CA GLY 358 -1.940 8.223 16.378 1.00 0.00 PRO +ATOM 5054 HA1 GLY 358 -1.297 7.356 16.426 1.00 0.00 PRO +ATOM 5055 HA2 GLY 358 -1.686 8.985 17.101 1.00 0.00 PRO +ATOM 5056 C GLY 358 -1.765 8.842 15.023 1.00 0.00 PRO +ATOM 5057 O GLY 358 -2.716 9.314 14.391 1.00 0.00 PRO +ATOM 5058 N GLY 359 -0.514 8.885 14.549 1.00 0.00 PRO +ATOM 5059 HN GLY 359 0.250 8.535 15.089 1.00 0.00 PRO +ATOM 5060 CA GLY 359 -0.175 9.283 13.193 1.00 0.00 PRO +ATOM 5061 HA1 GLY 359 0.782 9.781 13.224 1.00 0.00 PRO +ATOM 5062 HA2 GLY 359 -0.962 9.886 12.767 1.00 0.00 PRO +ATOM 5063 C GLY 359 -0.001 8.064 12.335 1.00 0.00 PRO +ATOM 5064 O GLY 359 0.370 6.998 12.791 1.00 0.00 PRO +ATOM 5065 N MET 360 -0.291 8.240 11.035 1.00 0.00 PRO +ATOM 5066 HN MET 360 -0.646 9.096 10.695 1.00 0.00 PRO +ATOM 5067 CA MET 360 -0.053 7.232 10.043 1.00 0.00 PRO +ATOM 5068 HA MET 360 0.782 6.613 10.350 1.00 0.00 PRO +ATOM 5069 CB MET 360 -1.313 6.366 9.757 1.00 0.00 PRO +ATOM 5070 HB1 MET 360 -1.000 5.542 9.080 1.00 0.00 PRO +ATOM 5071 HB2 MET 360 -2.077 6.988 9.238 1.00 0.00 PRO +ATOM 5072 CG MET 360 -1.983 5.751 11.006 1.00 0.00 PRO +ATOM 5073 HG1 MET 360 -2.331 6.580 11.661 1.00 0.00 PRO +ATOM 5074 HG2 MET 360 -1.210 5.198 11.579 1.00 0.00 PRO +ATOM 5075 SD MET 360 -3.399 4.655 10.661 1.00 0.00 PRO +ATOM 5076 CE MET 360 -2.476 3.191 10.104 1.00 0.00 PRO +ATOM 5077 HE1 MET 360 -1.816 2.793 10.905 1.00 0.00 PRO +ATOM 5078 HE2 MET 360 -1.837 3.422 9.227 1.00 0.00 PRO +ATOM 5079 HE3 MET 360 -3.167 2.375 9.802 1.00 0.00 PRO +ATOM 5080 C MET 360 0.370 7.968 8.790 1.00 0.00 PRO +ATOM 5081 O MET 360 -0.174 9.038 8.456 1.00 0.00 PRO +ATOM 5082 N VAL 361 1.356 7.424 8.073 1.00 0.00 PRO +ATOM 5083 HN VAL 361 1.738 6.540 8.364 1.00 0.00 PRO +ATOM 5084 CA VAL 361 1.956 7.996 6.888 1.00 0.00 PRO +ATOM 5085 HA VAL 361 1.879 9.075 6.938 1.00 0.00 PRO +ATOM 5086 CB VAL 361 3.435 7.624 6.781 1.00 0.00 PRO +ATOM 5087 HB VAL 361 3.542 6.514 6.857 1.00 0.00 PRO +ATOM 5088 CG1 VAL 361 4.058 8.076 5.441 1.00 0.00 PRO +ATOM 5089 HG11 VAL 361 3.882 9.158 5.266 1.00 0.00 PRO +ATOM 5090 HG12 VAL 361 3.643 7.499 4.587 1.00 0.00 PRO +ATOM 5091 HG13 VAL 361 5.155 7.895 5.461 1.00 0.00 PRO +ATOM 5092 CG2 VAL 361 4.179 8.268 7.968 1.00 0.00 PRO +ATOM 5093 HG21 VAL 361 3.815 7.876 8.943 1.00 0.00 PRO +ATOM 5094 HG22 VAL 361 4.033 9.368 7.979 1.00 0.00 PRO +ATOM 5095 HG23 VAL 361 5.268 8.059 7.908 1.00 0.00 PRO +ATOM 5096 C VAL 361 1.187 7.529 5.670 1.00 0.00 PRO +ATOM 5097 O VAL 361 0.930 6.341 5.499 1.00 0.00 PRO +ATOM 5098 N LEU 362 0.758 8.474 4.804 1.00 0.00 PRO +ATOM 5099 HN LEU 362 0.940 9.429 5.001 1.00 0.00 PRO +ATOM 5100 CA LEU 362 0.132 8.163 3.528 1.00 0.00 PRO +ATOM 5101 HA LEU 362 -0.673 7.464 3.720 1.00 0.00 PRO +ATOM 5102 CB LEU 362 -0.448 9.443 2.867 1.00 0.00 PRO +ATOM 5103 HB1 LEU 362 0.384 10.170 2.750 1.00 0.00 PRO +ATOM 5104 HB2 LEU 362 -1.186 9.888 3.567 1.00 0.00 PRO +ATOM 5105 CG LEU 362 -1.127 9.266 1.488 1.00 0.00 PRO +ATOM 5106 HG LEU 362 -0.389 8.838 0.767 1.00 0.00 PRO +ATOM 5107 CD1 LEU 362 -2.330 8.318 1.540 1.00 0.00 PRO +ATOM 5108 HD11 LEU 362 -3.099 8.687 2.248 1.00 0.00 PRO +ATOM 5109 HD12 LEU 362 -2.028 7.298 1.853 1.00 0.00 PRO +ATOM 5110 HD13 LEU 362 -2.790 8.237 0.534 1.00 0.00 PRO +ATOM 5111 CD2 LEU 362 -1.583 10.620 0.926 1.00 0.00 PRO +ATOM 5112 HD21 LEU 362 -0.713 11.293 0.791 1.00 0.00 PRO +ATOM 5113 HD22 LEU 362 -2.309 11.096 1.619 1.00 0.00 PRO +ATOM 5114 HD23 LEU 362 -2.074 10.470 -0.059 1.00 0.00 PRO +ATOM 5115 C LEU 362 1.085 7.487 2.552 1.00 0.00 PRO +ATOM 5116 O LEU 362 2.184 7.977 2.293 1.00 0.00 PRO +ATOM 5117 N VAL 363 0.634 6.365 1.964 1.00 0.00 PRO +ATOM 5118 HN VAL 363 -0.264 5.978 2.202 1.00 0.00 PRO +ATOM 5119 CA VAL 363 1.364 5.583 0.998 1.00 0.00 PRO +ATOM 5120 HA VAL 363 2.292 6.081 0.759 1.00 0.00 PRO +ATOM 5121 CB VAL 363 1.661 4.166 1.477 1.00 0.00 PRO +ATOM 5122 HB VAL 363 0.738 3.539 1.449 1.00 0.00 PRO +ATOM 5123 CG1 VAL 363 2.741 3.532 0.577 1.00 0.00 PRO +ATOM 5124 HG11 VAL 363 3.611 4.208 0.459 1.00 0.00 PRO +ATOM 5125 HG12 VAL 363 2.333 3.284 -0.424 1.00 0.00 PRO +ATOM 5126 HG13 VAL 363 3.102 2.589 1.039 1.00 0.00 PRO +ATOM 5127 CG2 VAL 363 2.121 4.178 2.946 1.00 0.00 PRO +ATOM 5128 HG21 VAL 363 1.282 4.462 3.618 1.00 0.00 PRO +ATOM 5129 HG22 VAL 363 2.955 4.883 3.115 1.00 0.00 PRO +ATOM 5130 HG23 VAL 363 2.451 3.159 3.242 1.00 0.00 PRO +ATOM 5131 C VAL 363 0.515 5.516 -0.255 1.00 0.00 PRO +ATOM 5132 O VAL 363 -0.720 5.450 -0.198 1.00 0.00 PRO +ATOM 5133 N MET 364 1.146 5.563 -1.433 1.00 0.00 PRO +ATOM 5134 HN MET 364 2.148 5.644 -1.448 1.00 0.00 PRO +ATOM 5135 CA MET 364 0.484 5.357 -2.703 1.00 0.00 PRO +ATOM 5136 HA MET 364 -0.420 4.783 -2.552 1.00 0.00 PRO +ATOM 5137 CB MET 364 0.151 6.687 -3.435 1.00 0.00 PRO +ATOM 5138 HB1 MET 364 -0.203 6.459 -4.466 1.00 0.00 PRO +ATOM 5139 HB2 MET 364 1.087 7.279 -3.512 1.00 0.00 PRO +ATOM 5140 CG MET 364 -0.953 7.511 -2.736 1.00 0.00 PRO +ATOM 5141 HG1 MET 364 -0.734 7.577 -1.649 1.00 0.00 PRO +ATOM 5142 HG2 MET 364 -1.897 6.928 -2.829 1.00 0.00 PRO +ATOM 5143 SD MET 364 -1.193 9.195 -3.385 1.00 0.00 PRO +ATOM 5144 CE MET 364 0.270 9.906 -2.571 1.00 0.00 PRO +ATOM 5145 HE1 MET 364 1.205 9.418 -2.922 1.00 0.00 PRO +ATOM 5146 HE2 MET 364 0.218 9.769 -1.469 1.00 0.00 PRO +ATOM 5147 HE3 MET 364 0.357 10.992 -2.777 1.00 0.00 PRO +ATOM 5148 C MET 364 1.409 4.507 -3.546 1.00 0.00 PRO +ATOM 5149 O MET 364 2.606 4.745 -3.612 1.00 0.00 PRO +ATOM 5150 N SER 365 0.866 3.456 -4.185 1.00 0.00 PRO +ATOM 5151 HN SER 365 -0.110 3.238 -4.123 1.00 0.00 PRO +ATOM 5152 CA SER 365 1.696 2.478 -4.855 1.00 0.00 PRO +ATOM 5153 HA SER 365 2.600 2.959 -5.204 1.00 0.00 PRO +ATOM 5154 CB SER 365 2.104 1.280 -3.938 1.00 0.00 PRO +ATOM 5155 HB1 SER 365 2.632 1.692 -3.050 1.00 0.00 PRO +ATOM 5156 HB2 SER 365 2.809 0.595 -4.459 1.00 0.00 PRO +ATOM 5157 OG SER 365 0.973 0.532 -3.492 1.00 0.00 PRO +ATOM 5158 HG1 SER 365 1.305 -0.191 -2.925 1.00 0.00 PRO +ATOM 5159 C SER 365 1.024 1.951 -6.094 1.00 0.00 PRO +ATOM 5160 O SER 365 -0.163 2.208 -6.374 1.00 0.00 PRO +ATOM 5161 N LEU 366 1.786 1.223 -6.904 1.00 0.00 PRO +ATOM 5162 HN LEU 366 2.755 1.078 -6.682 1.00 0.00 PRO +ATOM 5163 CA LEU 366 1.284 0.444 -8.005 1.00 0.00 PRO +ATOM 5164 HA LEU 366 0.263 0.151 -7.811 1.00 0.00 PRO +ATOM 5165 CB LEU 366 1.419 1.211 -9.344 1.00 0.00 PRO +ATOM 5166 HB1 LEU 366 2.478 1.528 -9.467 1.00 0.00 PRO +ATOM 5167 HB2 LEU 366 0.805 2.133 -9.263 1.00 0.00 PRO +ATOM 5168 CG LEU 366 0.991 0.440 -10.611 1.00 0.00 PRO +ATOM 5169 HG LEU 366 1.671 -0.437 -10.739 1.00 0.00 PRO +ATOM 5170 CD1 LEU 366 -0.447 -0.089 -10.527 1.00 0.00 PRO +ATOM 5171 HD11 LEU 366 -1.163 0.743 -10.362 1.00 0.00 PRO +ATOM 5172 HD12 LEU 366 -0.556 -0.817 -9.697 1.00 0.00 PRO +ATOM 5173 HD13 LEU 366 -0.715 -0.612 -11.468 1.00 0.00 PRO +ATOM 5174 CD2 LEU 366 1.144 1.335 -11.847 1.00 0.00 PRO +ATOM 5175 HD21 LEU 366 2.188 1.701 -11.937 1.00 0.00 PRO +ATOM 5176 HD22 LEU 366 0.472 2.214 -11.775 1.00 0.00 PRO +ATOM 5177 HD23 LEU 366 0.883 0.772 -12.766 1.00 0.00 PRO +ATOM 5178 C LEU 366 2.155 -0.791 -8.012 1.00 0.00 PRO +ATOM 5179 O LEU 366 3.360 -0.690 -7.913 1.00 0.00 PRO +ATOM 5180 N TRP 367 1.531 -1.988 -8.089 1.00 0.00 PRO +ATOM 5181 HN TRP 367 0.540 -2.079 -8.125 1.00 0.00 PRO +ATOM 5182 CA TRP 367 2.274 -3.218 -7.958 1.00 0.00 PRO +ATOM 5183 HA TRP 367 3.209 -3.129 -8.497 1.00 0.00 PRO +ATOM 5184 CB TRP 367 2.567 -3.558 -6.457 1.00 0.00 PRO +ATOM 5185 HB1 TRP 367 3.179 -2.726 -6.045 1.00 0.00 PRO +ATOM 5186 HB2 TRP 367 3.210 -4.466 -6.415 1.00 0.00 PRO +ATOM 5187 CG TRP 367 1.389 -3.762 -5.549 1.00 0.00 PRO +ATOM 5188 CD1 TRP 367 0.550 -2.788 -5.056 1.00 0.00 PRO +ATOM 5189 HD1 TRP 367 0.590 -1.741 -5.333 1.00 0.00 PRO +ATOM 5190 NE1 TRP 367 -0.329 -3.343 -4.154 1.00 0.00 PRO +ATOM 5191 HE1 TRP 367 -0.898 -2.883 -3.495 1.00 0.00 PRO +ATOM 5192 CE2 TRP 367 -0.082 -4.676 -4.038 1.00 0.00 PRO +ATOM 5193 CD2 TRP 367 0.998 -4.988 -4.889 1.00 0.00 PRO +ATOM 5194 CE3 TRP 367 1.498 -6.293 -4.906 1.00 0.00 PRO +ATOM 5195 HE3 TRP 367 2.349 -6.563 -5.506 1.00 0.00 PRO +ATOM 5196 CZ3 TRP 367 0.896 -7.254 -4.087 1.00 0.00 PRO +ATOM 5197 HZ3 TRP 367 1.285 -8.267 -4.066 1.00 0.00 PRO +ATOM 5198 CZ2 TRP 367 -0.679 -5.626 -3.223 1.00 0.00 PRO +ATOM 5199 HZ2 TRP 367 -1.474 -5.364 -2.543 1.00 0.00 PRO +ATOM 5200 CH2 TRP 367 -0.171 -6.925 -3.259 1.00 0.00 PRO +ATOM 5201 HH2 TRP 367 -0.590 -7.687 -2.613 1.00 0.00 PRO +ATOM 5202 C TRP 367 1.510 -4.342 -8.620 1.00 0.00 PRO +ATOM 5203 O TRP 367 0.296 -4.225 -8.887 1.00 0.00 PRO +ATOM 5204 N ASP 368 2.202 -5.444 -8.909 1.00 0.00 PRO +ATOM 5205 HN ASP 368 3.203 -5.512 -8.841 1.00 0.00 PRO +ATOM 5206 CA ASP 368 1.636 -6.716 -9.268 1.00 0.00 PRO +ATOM 5207 HA ASP 368 0.567 -6.677 -9.124 1.00 0.00 PRO +ATOM 5208 CB ASP 368 1.898 -7.096 -10.751 1.00 0.00 PRO +ATOM 5209 HB1 ASP 368 1.477 -6.307 -11.404 1.00 0.00 PRO +ATOM 5210 HB2 ASP 368 1.378 -8.046 -10.986 1.00 0.00 PRO +ATOM 5211 CG ASP 368 3.368 -7.265 -11.117 1.00 0.00 PRO +ATOM 5212 OD1 ASP 368 4.252 -6.803 -10.404 1.00 0.00 PRO +ATOM 5213 OD2 ASP 368 3.564 -7.828 -12.257 1.00 0.00 PRO +ATOM 5214 C ASP 368 2.190 -7.724 -8.254 1.00 0.00 PRO +ATOM 5215 O ASP 368 3.166 -7.509 -7.569 1.00 0.00 PRO +ATOM 5216 N ASP 369 1.444 -8.847 -8.101 1.00 0.00 PRO +ATOM 5217 HN ASP 369 0.681 -9.019 -8.705 1.00 0.00 PRO +ATOM 5218 CA ASP 369 1.644 -9.774 -7.015 1.00 0.00 PRO +ATOM 5219 HA ASP 369 2.247 -9.301 -6.239 1.00 0.00 PRO +ATOM 5220 CB ASP 369 0.268 -10.114 -6.387 1.00 0.00 PRO +ATOM 5221 HB1 ASP 369 -0.375 -10.522 -7.192 1.00 0.00 PRO +ATOM 5222 HB2 ASP 369 -0.203 -9.181 -6.011 1.00 0.00 PRO +ATOM 5223 CG ASP 369 0.228 -11.125 -5.256 1.00 0.00 PRO +ATOM 5224 OD1 ASP 369 1.332 -11.684 -4.881 1.00 0.00 PRO +ATOM 5225 OD2 ASP 369 -0.863 -11.477 -4.837 1.00 0.00 PRO +ATOM 5226 C ASP 369 2.418 -10.995 -7.467 1.00 0.00 PRO +ATOM 5227 O ASP 369 1.978 -11.768 -8.380 1.00 0.00 PRO +ATOM 5228 N TYR 370 3.549 -11.264 -6.849 1.00 0.00 PRO +ATOM 5229 HN TYR 370 3.783 -10.673 -6.062 1.00 0.00 PRO +ATOM 5230 CA TYR 370 4.461 -12.348 -7.151 1.00 0.00 PRO +ATOM 5231 HA TYR 370 4.288 -12.675 -8.169 1.00 0.00 PRO +ATOM 5232 CB TYR 370 5.933 -11.880 -6.981 1.00 0.00 PRO +ATOM 5233 HB1 TYR 370 6.618 -12.724 -6.750 1.00 0.00 PRO +ATOM 5234 HB2 TYR 370 5.998 -11.157 -6.139 1.00 0.00 PRO +ATOM 5235 CG TYR 370 6.452 -11.212 -8.231 1.00 0.00 PRO +ATOM 5236 CD1 TYR 370 6.187 -9.862 -8.517 1.00 0.00 PRO +ATOM 5237 HD1 TYR 370 5.532 -9.288 -7.876 1.00 0.00 PRO +ATOM 5238 CE1 TYR 370 6.751 -9.244 -9.648 1.00 0.00 PRO +ATOM 5239 HE1 TYR 370 6.520 -8.212 -9.871 1.00 0.00 PRO +ATOM 5240 CZ TYR 370 7.602 -9.969 -10.490 1.00 0.00 PRO +ATOM 5241 OH TYR 370 8.209 -9.343 -11.607 1.00 0.00 PRO +ATOM 5242 HH TYR 370 7.603 -8.673 -11.966 1.00 0.00 PRO +ATOM 5243 CD2 TYR 370 7.275 -11.938 -9.111 1.00 0.00 PRO +ATOM 5244 HD2 TYR 370 7.479 -12.978 -8.916 1.00 0.00 PRO +ATOM 5245 CE2 TYR 370 7.852 -11.318 -10.230 1.00 0.00 PRO +ATOM 5246 HE2 TYR 370 8.484 -11.888 -10.897 1.00 0.00 PRO +ATOM 5247 C TYR 370 4.216 -13.573 -6.287 1.00 0.00 PRO +ATOM 5248 O TYR 370 4.971 -14.558 -6.368 1.00 0.00 PRO +ATOM 5249 N TYR 371 3.181 -13.566 -5.436 1.00 0.00 PRO +ATOM 5250 HN TYR 371 2.588 -12.741 -5.347 1.00 0.00 PRO +ATOM 5251 CA TYR 371 2.933 -14.617 -4.467 1.00 0.00 PRO +ATOM 5252 HA TYR 371 3.631 -15.425 -4.623 1.00 0.00 PRO +ATOM 5253 CB TYR 371 3.083 -14.074 -3.025 1.00 0.00 PRO +ATOM 5254 HB1 TYR 371 2.714 -14.801 -2.271 1.00 0.00 PRO +ATOM 5255 HB2 TYR 371 2.511 -13.124 -2.908 1.00 0.00 PRO +ATOM 5256 CG TYR 371 4.538 -13.811 -2.755 1.00 0.00 PRO +ATOM 5257 CD1 TYR 371 5.130 -12.596 -3.127 1.00 0.00 PRO +ATOM 5258 HD1 TYR 371 4.526 -11.862 -3.634 1.00 0.00 PRO +ATOM 5259 CE1 TYR 371 6.489 -12.358 -2.899 1.00 0.00 PRO +ATOM 5260 HE1 TYR 371 6.932 -11.419 -3.197 1.00 0.00 PRO +ATOM 5261 CZ TYR 371 7.272 -13.340 -2.287 1.00 0.00 PRO +ATOM 5262 OH TYR 371 8.643 -13.092 -2.085 1.00 0.00 PRO +ATOM 5263 HH TYR 371 9.015 -13.833 -1.605 1.00 0.00 PRO +ATOM 5264 CD2 TYR 371 5.329 -14.786 -2.132 1.00 0.00 PRO +ATOM 5265 HD2 TYR 371 4.867 -15.719 -1.854 1.00 0.00 PRO +ATOM 5266 CE2 TYR 371 6.693 -14.556 -1.895 1.00 0.00 PRO +ATOM 5267 HE2 TYR 371 7.292 -15.315 -1.417 1.00 0.00 PRO +ATOM 5268 C TYR 371 1.572 -15.249 -4.601 1.00 0.00 PRO +ATOM 5269 O TYR 371 1.449 -16.478 -4.422 1.00 0.00 PRO +ATOM 5270 N ALA 372 0.522 -14.476 -4.892 1.00 0.00 PRO +ATOM 5271 HN ALA 372 0.623 -13.464 -4.884 1.00 0.00 PRO +ATOM 5272 CA ALA 372 -0.812 -15.018 -5.073 1.00 0.00 PRO +ATOM 5273 HA ALA 372 -0.772 -16.096 -5.152 1.00 0.00 PRO +ATOM 5274 CB ALA 372 -1.676 -14.624 -3.863 1.00 0.00 PRO +ATOM 5275 HB1 ALA 372 -1.713 -13.517 -3.774 1.00 0.00 PRO +ATOM 5276 HB2 ALA 372 -1.218 -15.024 -2.936 1.00 0.00 PRO +ATOM 5277 HB3 ALA 372 -2.709 -15.016 -3.962 1.00 0.00 PRO +ATOM 5278 C ALA 372 -1.463 -14.535 -6.349 1.00 0.00 PRO +ATOM 5279 O ALA 372 -2.578 -14.983 -6.682 1.00 0.00 PRO +ATOM 5280 N ASN 373 -0.818 -13.637 -7.105 1.00 0.00 PRO +ATOM 5281 HN ASN 373 0.013 -13.219 -6.727 1.00 0.00 PRO +ATOM 5282 CA ASN 373 -1.198 -13.207 -8.445 1.00 0.00 PRO +ATOM 5283 HA ASN 373 -0.398 -12.573 -8.797 1.00 0.00 PRO +ATOM 5284 CB ASN 373 -1.339 -14.395 -9.454 1.00 0.00 PRO +ATOM 5285 HB1 ASN 373 -1.585 -14.013 -10.464 1.00 0.00 PRO +ATOM 5286 HB2 ASN 373 -2.163 -15.067 -9.148 1.00 0.00 PRO +ATOM 5287 CG ASN 373 -0.069 -15.233 -9.562 1.00 0.00 PRO +ATOM 5288 OD1 ASN 373 -0.121 -16.466 -9.728 1.00 0.00 PRO +ATOM 5289 ND2 ASN 373 1.122 -14.610 -9.422 1.00 0.00 PRO +ATOM 5290 HD21 ASN 373 1.145 -13.621 -9.227 1.00 0.00 PRO +ATOM 5291 HD22 ASN 373 1.948 -15.152 -9.442 1.00 0.00 PRO +ATOM 5292 C ASN 373 -2.398 -12.272 -8.442 1.00 0.00 PRO +ATOM 5293 O ASN 373 -3.028 -12.044 -9.479 1.00 0.00 PRO +ATOM 5294 N MET 374 -2.727 -11.697 -7.266 1.00 0.00 PRO +ATOM 5295 HN MET 374 -2.146 -11.882 -6.462 1.00 0.00 PRO +ATOM 5296 CA MET 374 -3.760 -10.698 -7.043 1.00 0.00 PRO +ATOM 5297 HA MET 374 -3.603 -10.333 -6.041 1.00 0.00 PRO +ATOM 5298 CB MET 374 -3.662 -9.494 -8.019 1.00 0.00 PRO +ATOM 5299 HB1 MET 374 -4.329 -9.655 -8.893 1.00 0.00 PRO +ATOM 5300 HB2 MET 374 -2.621 -9.444 -8.409 1.00 0.00 PRO +ATOM 5301 CG MET 374 -3.997 -8.145 -7.354 1.00 0.00 PRO +ATOM 5302 HG1 MET 374 -4.998 -8.237 -6.880 1.00 0.00 PRO +ATOM 5303 HG2 MET 374 -4.088 -7.368 -8.144 1.00 0.00 PRO +ATOM 5304 SD MET 374 -2.788 -7.606 -6.105 1.00 0.00 PRO +ATOM 5305 CE MET 374 -1.517 -7.056 -7.275 1.00 0.00 PRO +ATOM 5306 HE1 MET 374 -1.909 -6.283 -7.964 1.00 0.00 PRO +ATOM 5307 HE2 MET 374 -1.149 -7.897 -7.897 1.00 0.00 PRO +ATOM 5308 HE3 MET 374 -0.645 -6.621 -6.741 1.00 0.00 PRO +ATOM 5309 C MET 374 -5.152 -11.322 -7.049 1.00 0.00 PRO +ATOM 5310 O MET 374 -6.180 -10.657 -7.028 1.00 0.00 PRO +ATOM 5311 N LEU 375 -5.212 -12.669 -6.973 1.00 0.00 PRO +ATOM 5312 HN LEU 375 -4.364 -13.189 -6.948 1.00 0.00 PRO +ATOM 5313 CA LEU 375 -6.441 -13.422 -7.139 1.00 0.00 PRO +ATOM 5314 HA LEU 375 -6.967 -13.028 -7.999 1.00 0.00 PRO +ATOM 5315 CB LEU 375 -6.106 -14.924 -7.342 1.00 0.00 PRO +ATOM 5316 HB1 LEU 375 -7.038 -15.526 -7.407 1.00 0.00 PRO +ATOM 5317 HB2 LEU 375 -5.532 -15.264 -6.451 1.00 0.00 PRO +ATOM 5318 CG LEU 375 -5.237 -15.239 -8.582 1.00 0.00 PRO +ATOM 5319 HG LEU 375 -4.321 -14.603 -8.542 1.00 0.00 PRO +ATOM 5320 CD1 LEU 375 -4.779 -16.705 -8.562 1.00 0.00 PRO +ATOM 5321 HD11 LEU 375 -5.656 -17.377 -8.636 1.00 0.00 PRO +ATOM 5322 HD12 LEU 375 -4.226 -16.927 -7.624 1.00 0.00 PRO +ATOM 5323 HD13 LEU 375 -4.106 -16.903 -9.423 1.00 0.00 PRO +ATOM 5324 CD2 LEU 375 -5.948 -14.930 -9.906 1.00 0.00 PRO +ATOM 5325 HD21 LEU 375 -6.218 -13.852 -9.964 1.00 0.00 PRO +ATOM 5326 HD22 LEU 375 -6.870 -15.537 -10.006 1.00 0.00 PRO +ATOM 5327 HD23 LEU 375 -5.275 -15.158 -10.760 1.00 0.00 PRO +ATOM 5328 C LEU 375 -7.352 -13.266 -5.937 1.00 0.00 PRO +ATOM 5329 O LEU 375 -8.569 -13.488 -6.004 1.00 0.00 PRO +ATOM 5330 N TRP 376 -6.789 -12.828 -4.801 1.00 0.00 PRO +ATOM 5331 HN TRP 376 -5.818 -12.591 -4.809 1.00 0.00 PRO +ATOM 5332 CA TRP 376 -7.494 -12.537 -3.575 1.00 0.00 PRO +ATOM 5333 HA TRP 376 -8.185 -13.343 -3.382 1.00 0.00 PRO +ATOM 5334 CB TRP 376 -6.498 -12.448 -2.383 1.00 0.00 PRO +ATOM 5335 HB1 TRP 376 -6.070 -13.464 -2.233 1.00 0.00 PRO +ATOM 5336 HB2 TRP 376 -7.046 -12.188 -1.450 1.00 0.00 PRO +ATOM 5337 CG TRP 376 -5.369 -11.483 -2.569 1.00 0.00 PRO +ATOM 5338 CD1 TRP 376 -4.130 -11.773 -3.084 1.00 0.00 PRO +ATOM 5339 HD1 TRP 376 -3.792 -12.767 -3.338 1.00 0.00 PRO +ATOM 5340 NE1 TRP 376 -3.403 -10.617 -3.231 1.00 0.00 PRO +ATOM 5341 HE1 TRP 376 -2.494 -10.546 -3.612 1.00 0.00 PRO +ATOM 5342 CE2 TRP 376 -4.156 -9.557 -2.803 1.00 0.00 PRO +ATOM 5343 CD2 TRP 376 -5.401 -10.059 -2.361 1.00 0.00 PRO +ATOM 5344 CE3 TRP 376 -6.367 -9.182 -1.856 1.00 0.00 PRO +ATOM 5345 HE3 TRP 376 -7.318 -9.528 -1.475 1.00 0.00 PRO +ATOM 5346 CZ3 TRP 376 -6.088 -7.813 -1.865 1.00 0.00 PRO +ATOM 5347 HZ3 TRP 376 -6.830 -7.113 -1.492 1.00 0.00 PRO +ATOM 5348 CZ2 TRP 376 -3.877 -8.201 -2.792 1.00 0.00 PRO +ATOM 5349 HZ2 TRP 376 -2.936 -7.815 -3.147 1.00 0.00 PRO +ATOM 5350 CH2 TRP 376 -4.878 -7.335 -2.351 1.00 0.00 PRO +ATOM 5351 HH2 TRP 376 -4.719 -6.269 -2.398 1.00 0.00 PRO +ATOM 5352 C TRP 376 -8.324 -11.264 -3.689 1.00 0.00 PRO +ATOM 5353 O TRP 376 -9.291 -11.095 -2.949 1.00 0.00 PRO +ATOM 5354 N LEU 377 -7.987 -10.384 -4.656 1.00 0.00 PRO +ATOM 5355 HN LEU 377 -7.220 -10.572 -5.270 1.00 0.00 PRO +ATOM 5356 CA LEU 377 -8.672 -9.133 -4.894 1.00 0.00 PRO +ATOM 5357 HA LEU 377 -9.153 -8.802 -3.983 1.00 0.00 PRO +ATOM 5358 CB LEU 377 -7.656 -8.056 -5.374 1.00 0.00 PRO +ATOM 5359 HB1 LEU 377 -7.131 -8.431 -6.280 1.00 0.00 PRO +ATOM 5360 HB2 LEU 377 -6.886 -7.929 -4.583 1.00 0.00 PRO +ATOM 5361 CG LEU 377 -8.237 -6.661 -5.719 1.00 0.00 PRO +ATOM 5362 HG LEU 377 -8.946 -6.772 -6.574 1.00 0.00 PRO +ATOM 5363 CD1 LEU 377 -9.007 -6.039 -4.543 1.00 0.00 PRO +ATOM 5364 HD11 LEU 377 -8.338 -5.920 -3.663 1.00 0.00 PRO +ATOM 5365 HD12 LEU 377 -9.868 -6.673 -4.248 1.00 0.00 PRO +ATOM 5366 HD13 LEU 377 -9.394 -5.035 -4.820 1.00 0.00 PRO +ATOM 5367 CD2 LEU 377 -7.122 -5.708 -6.184 1.00 0.00 PRO +ATOM 5368 HD21 LEU 377 -6.584 -6.130 -7.059 1.00 0.00 PRO +ATOM 5369 HD22 LEU 377 -6.391 -5.543 -5.364 1.00 0.00 PRO +ATOM 5370 HD23 LEU 377 -7.550 -4.726 -6.473 1.00 0.00 PRO +ATOM 5371 C LEU 377 -9.735 -9.308 -5.962 1.00 0.00 PRO +ATOM 5372 O LEU 377 -10.882 -8.888 -5.791 1.00 0.00 PRO +ATOM 5373 N ASP 378 -9.372 -9.921 -7.108 1.00 0.00 PRO +ATOM 5374 HN ASP 378 -8.448 -10.287 -7.234 1.00 0.00 PRO +ATOM 5375 CA ASP 378 -10.150 -9.794 -8.331 1.00 0.00 PRO +ATOM 5376 HA ASP 378 -11.057 -9.250 -8.118 1.00 0.00 PRO +ATOM 5377 CB ASP 378 -9.314 -8.946 -9.336 1.00 0.00 PRO +ATOM 5378 HB1 ASP 378 -8.999 -8.017 -8.817 1.00 0.00 PRO +ATOM 5379 HB2 ASP 378 -9.957 -8.662 -10.193 1.00 0.00 PRO +ATOM 5380 CG ASP 378 -8.049 -9.579 -9.918 1.00 0.00 PRO +ATOM 5381 OD1 ASP 378 -7.880 -10.841 -9.772 1.00 0.00 PRO +ATOM 5382 OD2 ASP 378 -7.297 -8.854 -10.584 1.00 0.00 PRO +ATOM 5383 C ASP 378 -10.613 -11.123 -8.900 1.00 0.00 PRO +ATOM 5384 O ASP 378 -11.245 -11.160 -9.992 1.00 0.00 PRO +ATOM 5385 N SER 379 -10.409 -12.247 -8.225 1.00 0.00 PRO +ATOM 5386 HN SER 379 -9.953 -12.221 -7.326 1.00 0.00 PRO +ATOM 5387 CA SER 379 -10.651 -13.553 -8.811 1.00 0.00 PRO +ATOM 5388 HA SER 379 -11.397 -13.469 -9.587 1.00 0.00 PRO +ATOM 5389 CB SER 379 -9.360 -14.163 -9.423 1.00 0.00 PRO +ATOM 5390 HB1 SER 379 -8.650 -14.442 -8.614 1.00 0.00 PRO +ATOM 5391 HB2 SER 379 -8.853 -13.378 -10.034 1.00 0.00 PRO +ATOM 5392 OG SER 379 -9.633 -15.304 -10.250 1.00 0.00 PRO +ATOM 5393 HG1 SER 379 -10.057 -14.956 -11.058 1.00 0.00 PRO +ATOM 5394 C SER 379 -11.249 -14.460 -7.743 1.00 0.00 PRO +ATOM 5395 O SER 379 -11.638 -14.076 -6.684 1.00 0.00 PRO +ATOM 5396 N THR 380 -11.368 -15.768 -8.111 1.00 0.00 PRO +ATOM 5397 HN THR 380 -10.986 -16.022 -8.989 1.00 0.00 PRO +ATOM 5398 CA THR 380 -11.717 -16.807 -7.155 1.00 0.00 PRO +ATOM 5399 HA THR 380 -12.365 -16.394 -6.396 1.00 0.00 PRO +ATOM 5400 CB THR 380 -12.418 -17.997 -7.790 1.00 0.00 PRO +ATOM 5401 HB THR 380 -11.716 -18.559 -8.447 1.00 0.00 PRO +ATOM 5402 OG1 THR 380 -13.492 -17.546 -8.609 1.00 0.00 PRO +ATOM 5403 HG1 THR 380 -13.182 -16.723 -9.002 1.00 0.00 PRO +ATOM 5404 CG2 THR 380 -12.986 -18.938 -6.716 1.00 0.00 PRO +ATOM 5405 HG21 THR 380 -13.652 -18.386 -6.019 1.00 0.00 PRO +ATOM 5406 HG22 THR 380 -12.170 -19.404 -6.123 1.00 0.00 PRO +ATOM 5407 HG23 THR 380 -13.573 -19.756 -7.184 1.00 0.00 PRO +ATOM 5408 C THR 380 -10.464 -17.276 -6.471 1.00 0.00 PRO +ATOM 5409 O THR 380 -9.496 -17.720 -7.149 1.00 0.00 PRO +ATOM 5410 N TYR 381 -10.391 -17.196 -5.152 1.00 0.00 PRO +ATOM 5411 HN TYR 381 -11.193 -16.883 -4.616 1.00 0.00 PRO +ATOM 5412 CA TYR 381 -9.207 -17.512 -4.394 1.00 0.00 PRO +ATOM 5413 HA TYR 381 -8.586 -18.174 -4.968 1.00 0.00 PRO +ATOM 5414 CB TYR 381 -8.389 -16.231 -4.088 1.00 0.00 PRO +ATOM 5415 HB1 TYR 381 -8.958 -15.535 -3.437 1.00 0.00 PRO +ATOM 5416 HB2 TYR 381 -8.198 -15.716 -5.052 1.00 0.00 PRO +ATOM 5417 CG TYR 381 -7.051 -16.534 -3.461 1.00 0.00 PRO +ATOM 5418 CD1 TYR 381 -5.985 -16.962 -4.270 1.00 0.00 PRO +ATOM 5419 HD1 TYR 381 -6.144 -17.089 -5.331 1.00 0.00 PRO +ATOM 5420 CE1 TYR 381 -4.717 -17.198 -3.722 1.00 0.00 PRO +ATOM 5421 HE1 TYR 381 -3.904 -17.493 -4.371 1.00 0.00 PRO +ATOM 5422 CZ TYR 381 -4.513 -17.043 -2.346 1.00 0.00 PRO +ATOM 5423 OH TYR 381 -3.242 -17.311 -1.796 1.00 0.00 PRO +ATOM 5424 HH TYR 381 -2.637 -17.450 -2.531 1.00 0.00 PRO +ATOM 5425 CD2 TYR 381 -6.831 -16.362 -2.085 1.00 0.00 PRO +ATOM 5426 HD2 TYR 381 -7.634 -16.017 -1.447 1.00 0.00 PRO +ATOM 5427 CE2 TYR 381 -5.574 -16.640 -1.528 1.00 0.00 PRO +ATOM 5428 HE2 TYR 381 -5.427 -16.526 -0.466 1.00 0.00 PRO +ATOM 5429 C TYR 381 -9.655 -18.164 -3.074 1.00 0.00 PRO +ATOM 5430 O TYR 381 -10.542 -17.678 -2.435 1.00 0.00 PRO +ATOM 5431 N PRO 382 -9.005 -19.264 -2.646 1.00 0.00 PRO +ATOM 5432 CD PRO 382 -9.223 -19.685 -1.263 1.00 0.00 PRO +ATOM 5433 HD1 PRO 382 -10.252 -20.091 -1.185 1.00 0.00 PRO +ATOM 5434 HD2 PRO 382 -9.080 -18.842 -0.552 1.00 0.00 PRO +ATOM 5435 CA PRO 382 -8.247 -20.249 -3.398 1.00 0.00 PRO +ATOM 5436 HA PRO 382 -7.303 -19.776 -3.636 1.00 0.00 PRO +ATOM 5437 CB PRO 382 -8.081 -21.432 -2.432 1.00 0.00 PRO +ATOM 5438 HB1 PRO 382 -7.131 -21.975 -2.595 1.00 0.00 PRO +ATOM 5439 HB2 PRO 382 -8.921 -22.153 -2.548 1.00 0.00 PRO +ATOM 5440 CG PRO 382 -8.185 -20.787 -1.047 1.00 0.00 PRO +ATOM 5441 HG1 PRO 382 -8.500 -21.503 -0.259 1.00 0.00 PRO +ATOM 5442 HG2 PRO 382 -7.219 -20.315 -0.760 1.00 0.00 PRO +ATOM 5443 C PRO 382 -8.813 -20.680 -4.742 1.00 0.00 PRO +ATOM 5444 O PRO 382 -10.030 -20.635 -4.953 1.00 0.00 PRO +ATOM 5445 N THR 383 -7.960 -21.084 -5.682 1.00 0.00 PRO +ATOM 5446 HN THR 383 -6.980 -21.203 -5.508 1.00 0.00 PRO +ATOM 5447 CA THR 383 -8.322 -21.337 -7.071 1.00 0.00 PRO +ATOM 5448 HA THR 383 -8.989 -20.550 -7.396 1.00 0.00 PRO +ATOM 5449 CB THR 383 -7.096 -21.344 -7.972 1.00 0.00 PRO +ATOM 5450 HB THR 383 -7.351 -21.672 -9.008 1.00 0.00 PRO +ATOM 5451 OG1 THR 383 -6.078 -22.168 -7.412 1.00 0.00 PRO +ATOM 5452 HG1 THR 383 -5.396 -22.311 -8.080 1.00 0.00 PRO +ATOM 5453 CG2 THR 383 -6.537 -19.915 -8.015 1.00 0.00 PRO +ATOM 5454 HG21 THR 383 -6.195 -19.589 -7.010 1.00 0.00 PRO +ATOM 5455 HG22 THR 383 -7.314 -19.197 -8.355 1.00 0.00 PRO +ATOM 5456 HG23 THR 383 -5.669 -19.845 -8.703 1.00 0.00 PRO +ATOM 5457 C THR 383 -9.071 -22.638 -7.257 1.00 0.00 PRO +ATOM 5458 O THR 383 -9.711 -22.856 -8.290 1.00 0.00 PRO +ATOM 5459 N ASN 384 -9.041 -23.522 -6.245 1.00 0.00 PRO +ATOM 5460 HN ASN 384 -8.493 -23.332 -5.429 1.00 0.00 PRO +ATOM 5461 CA ASN 384 -9.754 -24.782 -6.243 1.00 0.00 PRO +ATOM 5462 HA ASN 384 -9.928 -25.094 -7.263 1.00 0.00 PRO +ATOM 5463 CB ASN 384 -8.922 -25.884 -5.521 1.00 0.00 PRO +ATOM 5464 HB1 ASN 384 -7.942 -25.970 -6.036 1.00 0.00 PRO +ATOM 5465 HB2 ASN 384 -9.439 -26.863 -5.608 1.00 0.00 PRO +ATOM 5466 CG ASN 384 -8.653 -25.577 -4.052 1.00 0.00 PRO +ATOM 5467 OD1 ASN 384 -7.933 -24.577 -3.742 1.00 0.00 PRO +ATOM 5468 ND2 ASN 384 -9.160 -26.374 -3.128 1.00 0.00 PRO +ATOM 5469 HD21 ASN 384 -9.036 -26.132 -2.156 1.00 0.00 PRO +ATOM 5470 HD22 ASN 384 -9.747 -27.145 -3.389 1.00 0.00 PRO +ATOM 5471 C ASN 384 -11.114 -24.630 -5.589 1.00 0.00 PRO +ATOM 5472 O ASN 384 -11.891 -25.596 -5.581 1.00 0.00 PRO +ATOM 5473 N GLU 385 -11.474 -23.440 -5.084 1.00 0.00 PRO +ATOM 5474 HN GLU 385 -10.869 -22.641 -5.142 1.00 0.00 PRO +ATOM 5475 CA GLU 385 -12.780 -23.184 -4.531 1.00 0.00 PRO +ATOM 5476 HA GLU 385 -13.124 -24.094 -4.046 1.00 0.00 PRO +ATOM 5477 CB GLU 385 -12.797 -22.068 -3.451 1.00 0.00 PRO +ATOM 5478 HB1 GLU 385 -13.843 -21.838 -3.145 1.00 0.00 PRO +ATOM 5479 HB2 GLU 385 -12.368 -21.142 -3.892 1.00 0.00 PRO +ATOM 5480 CG GLU 385 -12.021 -22.436 -2.159 1.00 0.00 PRO +ATOM 5481 HG1 GLU 385 -11.950 -21.535 -1.516 1.00 0.00 PRO +ATOM 5482 HG2 GLU 385 -10.997 -22.769 -2.413 1.00 0.00 PRO +ATOM 5483 CD GLU 385 -12.681 -23.515 -1.297 1.00 0.00 PRO +ATOM 5484 OE1 GLU 385 -13.830 -23.945 -1.659 1.00 0.00 PRO +ATOM 5485 OE2 GLU 385 -12.100 -23.874 -0.252 1.00 0.00 PRO +ATOM 5486 C GLU 385 -13.805 -22.885 -5.593 1.00 0.00 PRO +ATOM 5487 O GLU 385 -13.487 -22.545 -6.766 1.00 0.00 PRO +ATOM 5488 N THR 386 -15.070 -23.021 -5.251 1.00 0.00 PRO +ATOM 5489 HN THR 386 -15.255 -23.243 -4.287 1.00 0.00 PRO +ATOM 5490 CA THR 386 -16.203 -22.856 -6.152 1.00 0.00 PRO +ATOM 5491 HA THR 386 -15.840 -22.741 -7.162 1.00 0.00 PRO +ATOM 5492 CB THR 386 -17.181 -24.027 -6.116 1.00 0.00 PRO +ATOM 5493 HB THR 386 -17.943 -23.912 -6.925 1.00 0.00 PRO +ATOM 5494 OG1 THR 386 -17.870 -24.142 -4.868 1.00 0.00 PRO +ATOM 5495 HG1 THR 386 -17.182 -24.056 -4.187 1.00 0.00 PRO +ATOM 5496 CG2 THR 386 -16.419 -25.330 -6.401 1.00 0.00 PRO +ATOM 5497 HG21 THR 386 -15.690 -25.565 -5.598 1.00 0.00 PRO +ATOM 5498 HG22 THR 386 -15.858 -25.241 -7.356 1.00 0.00 PRO +ATOM 5499 HG23 THR 386 -17.122 -26.186 -6.492 1.00 0.00 PRO +ATOM 5500 C THR 386 -16.924 -21.574 -5.761 1.00 0.00 PRO +ATOM 5501 O THR 386 -16.661 -20.942 -4.797 1.00 0.00 PRO +ATOM 5502 N SER 387 -17.958 -21.214 -6.586 1.00 0.00 PRO +ATOM 5503 HN SER 387 -18.165 -21.685 -7.421 1.00 0.00 PRO +ATOM 5504 CA SER 387 -18.789 -20.068 -6.272 1.00 0.00 PRO +ATOM 5505 HA SER 387 -18.174 -19.269 -5.882 1.00 0.00 PRO +ATOM 5506 CB SER 387 -19.522 -19.567 -7.545 1.00 0.00 PRO +ATOM 5507 HB1 SER 387 -18.734 -19.253 -8.269 1.00 0.00 PRO +ATOM 5508 HB2 SER 387 -20.139 -18.668 -7.323 1.00 0.00 PRO +ATOM 5509 OG SER 387 -20.307 -20.597 -8.163 1.00 0.00 PRO +ATOM 5510 HG1 SER 387 -20.889 -20.989 -7.499 1.00 0.00 PRO +ATOM 5511 C SER 387 -19.855 -20.353 -5.219 1.00 0.00 PRO +ATOM 5512 O SER 387 -20.571 -19.482 -4.795 1.00 0.00 PRO +ATOM 5513 N SER 388 -19.982 -21.648 -4.806 1.00 0.00 PRO +ATOM 5514 HN SER 388 -19.395 -22.355 -5.172 1.00 0.00 PRO +ATOM 5515 CA SER 388 -20.873 -22.012 -3.715 1.00 0.00 PRO +ATOM 5516 HA SER 388 -21.723 -21.352 -3.730 1.00 0.00 PRO +ATOM 5517 CB SER 388 -21.441 -23.460 -3.836 1.00 0.00 PRO +ATOM 5518 HB1 SER 388 -21.910 -23.572 -4.838 1.00 0.00 PRO +ATOM 5519 HB2 SER 388 -22.243 -23.584 -3.072 1.00 0.00 PRO +ATOM 5520 OG SER 388 -20.477 -24.503 -3.642 1.00 0.00 PRO +ATOM 5521 HG1 SER 388 -19.738 -24.393 -4.259 1.00 0.00 PRO +ATOM 5522 C SER 388 -20.212 -21.831 -2.351 1.00 0.00 PRO +ATOM 5523 O SER 388 -20.859 -21.768 -1.337 1.00 0.00 PRO +ATOM 5524 N THR 389 -18.856 -21.705 -2.357 1.00 0.00 PRO +ATOM 5525 HN THR 389 -18.341 -21.729 -3.198 1.00 0.00 PRO +ATOM 5526 CA THR 389 -18.059 -21.500 -1.156 1.00 0.00 PRO +ATOM 5527 HA THR 389 -18.447 -22.155 -0.396 1.00 0.00 PRO +ATOM 5528 CB THR 389 -16.586 -21.874 -1.356 1.00 0.00 PRO +ATOM 5529 HB THR 389 -16.118 -21.189 -2.095 1.00 0.00 PRO +ATOM 5530 OG1 THR 389 -16.431 -23.205 -1.869 1.00 0.00 PRO +ATOM 5531 HG1 THR 389 -15.489 -23.437 -1.719 1.00 0.00 PRO +ATOM 5532 CG2 THR 389 -15.841 -21.808 -0.015 1.00 0.00 PRO +ATOM 5533 HG21 THR 389 -16.334 -22.447 0.746 1.00 0.00 PRO +ATOM 5534 HG22 THR 389 -15.797 -20.767 0.371 1.00 0.00 PRO +ATOM 5535 HG23 THR 389 -14.794 -22.158 -0.130 1.00 0.00 PRO +ATOM 5536 C THR 389 -18.148 -20.035 -0.713 1.00 0.00 PRO +ATOM 5537 O THR 389 -17.818 -19.156 -1.526 1.00 0.00 PRO +ATOM 5538 N PRO 390 -18.590 -19.665 0.498 1.00 0.00 PRO +ATOM 5539 CD PRO 390 -19.120 -20.587 1.509 1.00 0.00 PRO +ATOM 5540 HD1 PRO 390 -18.262 -21.030 2.063 1.00 0.00 PRO +ATOM 5541 HD2 PRO 390 -19.753 -21.384 1.060 1.00 0.00 PRO +ATOM 5542 CA PRO 390 -18.727 -18.273 0.930 1.00 0.00 PRO +ATOM 5543 HA PRO 390 -19.475 -17.817 0.297 1.00 0.00 PRO +ATOM 5544 CB PRO 390 -19.203 -18.372 2.389 1.00 0.00 PRO +ATOM 5545 HB1 PRO 390 -19.823 -17.504 2.687 1.00 0.00 PRO +ATOM 5546 HB2 PRO 390 -18.331 -18.442 3.083 1.00 0.00 PRO +ATOM 5547 CG PRO 390 -19.957 -19.700 2.431 1.00 0.00 PRO +ATOM 5548 HG1 PRO 390 -20.036 -20.112 3.456 1.00 0.00 PRO +ATOM 5549 HG2 PRO 390 -20.969 -19.579 1.985 1.00 0.00 PRO +ATOM 5550 C PRO 390 -17.477 -17.419 0.807 1.00 0.00 PRO +ATOM 5551 O PRO 390 -16.452 -17.744 1.402 1.00 0.00 PRO +ATOM 5552 N GLY 391 -17.533 -16.308 0.045 1.00 0.00 PRO +ATOM 5553 HN GLY 391 -18.371 -16.092 -0.449 1.00 0.00 PRO +ATOM 5554 CA GLY 391 -16.449 -15.332 -0.033 1.00 0.00 PRO +ATOM 5555 HA1 GLY 391 -16.116 -15.110 0.973 1.00 0.00 PRO +ATOM 5556 HA2 GLY 391 -16.831 -14.455 -0.534 1.00 0.00 PRO +ATOM 5557 C GLY 391 -15.235 -15.792 -0.802 1.00 0.00 PRO +ATOM 5558 O GLY 391 -14.204 -15.123 -0.800 1.00 0.00 PRO +ATOM 5559 N ALA 392 -15.325 -16.954 -1.488 1.00 0.00 PRO +ATOM 5560 HN ALA 392 -16.144 -17.518 -1.391 1.00 0.00 PRO +ATOM 5561 CA ALA 392 -14.280 -17.471 -2.356 1.00 0.00 PRO +ATOM 5562 HA ALA 392 -13.355 -17.477 -1.799 1.00 0.00 PRO +ATOM 5563 CB ALA 392 -14.604 -18.907 -2.802 1.00 0.00 PRO +ATOM 5564 HB1 ALA 392 -15.564 -18.959 -3.359 1.00 0.00 PRO +ATOM 5565 HB2 ALA 392 -14.676 -19.565 -1.911 1.00 0.00 PRO +ATOM 5566 HB3 ALA 392 -13.795 -19.304 -3.455 1.00 0.00 PRO +ATOM 5567 C ALA 392 -14.063 -16.618 -3.581 1.00 0.00 PRO +ATOM 5568 O ALA 392 -12.923 -16.411 -4.031 1.00 0.00 PRO +ATOM 5569 N VAL 393 -15.144 -16.094 -4.159 1.00 0.00 PRO +ATOM 5570 HN VAL 393 -16.037 -16.248 -3.742 1.00 0.00 PRO +ATOM 5571 CA VAL 393 -15.112 -15.284 -5.358 1.00 0.00 PRO +ATOM 5572 HA VAL 393 -14.234 -15.520 -5.932 1.00 0.00 PRO +ATOM 5573 CB VAL 393 -16.341 -15.513 -6.235 1.00 0.00 PRO +ATOM 5574 HB VAL 393 -17.260 -15.175 -5.708 1.00 0.00 PRO +ATOM 5575 CG1 VAL 393 -16.184 -14.738 -7.558 1.00 0.00 PRO +ATOM 5576 HG11 VAL 393 -15.265 -15.067 -8.089 1.00 0.00 PRO +ATOM 5577 HG12 VAL 393 -16.114 -13.644 -7.387 1.00 0.00 PRO +ATOM 5578 HG13 VAL 393 -17.054 -14.931 -8.219 1.00 0.00 PRO +ATOM 5579 CG2 VAL 393 -16.505 -17.020 -6.513 1.00 0.00 PRO +ATOM 5580 HG21 VAL 393 -16.714 -17.584 -5.581 1.00 0.00 PRO +ATOM 5581 HG22 VAL 393 -15.584 -17.431 -6.977 1.00 0.00 PRO +ATOM 5582 HG23 VAL 393 -17.351 -17.187 -7.214 1.00 0.00 PRO +ATOM 5583 C VAL 393 -15.060 -13.819 -4.938 1.00 0.00 PRO +ATOM 5584 O VAL 393 -15.914 -13.340 -4.249 1.00 0.00 PRO +ATOM 5585 N ARG 394 -13.992 -13.097 -5.397 1.00 0.00 PRO +ATOM 5586 HN ARG 394 -13.256 -13.514 -5.918 1.00 0.00 PRO +ATOM 5587 CA ARG 394 -13.813 -11.701 -5.053 1.00 0.00 PRO +ATOM 5588 HA ARG 394 -14.607 -11.348 -4.409 1.00 0.00 PRO +ATOM 5589 CB ARG 394 -12.452 -11.496 -4.331 1.00 0.00 PRO +ATOM 5590 HB1 ARG 394 -12.392 -10.433 -4.005 1.00 0.00 PRO +ATOM 5591 HB2 ARG 394 -11.611 -11.661 -5.042 1.00 0.00 PRO +ATOM 5592 CG ARG 394 -12.231 -12.391 -3.088 1.00 0.00 PRO +ATOM 5593 HG1 ARG 394 -13.212 -12.705 -2.673 1.00 0.00 PRO +ATOM 5594 HG2 ARG 394 -11.725 -11.773 -2.311 1.00 0.00 PRO +ATOM 5595 CD ARG 394 -11.348 -13.621 -3.356 1.00 0.00 PRO +ATOM 5596 HD1 ARG 394 -10.335 -13.332 -3.702 1.00 0.00 PRO +ATOM 5597 HD2 ARG 394 -11.807 -14.226 -4.178 1.00 0.00 PRO +ATOM 5598 NE ARG 394 -11.289 -14.492 -2.158 1.00 0.00 PRO +ATOM 5599 HE ARG 394 -11.767 -15.338 -2.142 1.00 0.00 PRO +ATOM 5600 CZ ARG 394 -10.466 -14.251 -1.059 1.00 0.00 PRO +ATOM 5601 NH1 ARG 394 -9.753 -13.216 -0.940 1.00 0.00 PRO +ATOM 5602 HH11 ARG 394 -9.844 -12.417 -1.546 1.00 0.00 PRO +ATOM 5603 HH12 ARG 394 -9.318 -13.006 -0.028 1.00 0.00 PRO +ATOM 5604 NH2 ARG 394 -10.445 -15.197 -0.149 1.00 0.00 PRO +ATOM 5605 HH21 ARG 394 -10.876 -16.058 -0.288 1.00 0.00 PRO +ATOM 5606 HH22 ARG 394 -9.774 -15.065 0.613 1.00 0.00 PRO +ATOM 5607 C ARG 394 -13.848 -10.811 -6.302 1.00 0.00 PRO +ATOM 5608 O ARG 394 -13.781 -9.613 -6.250 1.00 0.00 PRO +ATOM 5609 N GLY 395 -14.014 -11.442 -7.494 1.00 0.00 PRO +ATOM 5610 HN GLY 395 -14.071 -12.424 -7.564 1.00 0.00 PRO +ATOM 5611 CA GLY 395 -14.111 -10.675 -8.720 1.00 0.00 PRO +ATOM 5612 HA1 GLY 395 -13.176 -10.162 -8.888 1.00 0.00 PRO +ATOM 5613 HA2 GLY 395 -14.946 -9.994 -8.648 1.00 0.00 PRO +ATOM 5614 C GLY 395 -14.370 -11.562 -9.888 1.00 0.00 PRO +ATOM 5615 O GLY 395 -14.707 -12.762 -9.731 1.00 0.00 PRO +ATOM 5616 N SER 396 -14.261 -11.032 -11.100 1.00 0.00 PRO +ATOM 5617 HN SER 396 -13.974 -10.072 -11.196 1.00 0.00 PRO +ATOM 5618 CA SER 396 -14.614 -11.733 -12.327 1.00 0.00 PRO +ATOM 5619 HA SER 396 -15.155 -12.637 -12.080 1.00 0.00 PRO +ATOM 5620 CB SER 396 -15.530 -10.866 -13.235 1.00 0.00 PRO +ATOM 5621 HB1 SER 396 -16.429 -10.596 -12.635 1.00 0.00 PRO +ATOM 5622 HB2 SER 396 -15.872 -11.451 -14.118 1.00 0.00 PRO +ATOM 5623 OG SER 396 -14.919 -9.646 -13.671 1.00 0.00 PRO +ATOM 5624 HG1 SER 396 -14.121 -9.887 -14.162 1.00 0.00 PRO +ATOM 5625 C SER 396 -13.404 -12.154 -13.123 1.00 0.00 PRO +ATOM 5626 O SER 396 -13.556 -12.766 -14.203 1.00 0.00 PRO +ATOM 5627 N CYS 397 -12.178 -11.863 -12.679 1.00 0.00 PRO +ATOM 5628 HN CYS 397 -12.040 -11.396 -11.790 1.00 0.00 PRO +ATOM 5629 CA CYS 397 -10.957 -12.295 -13.328 1.00 0.00 PRO +ATOM 5630 HA CYS 397 -11.045 -12.010 -14.369 1.00 0.00 PRO +ATOM 5631 CB CYS 397 -9.682 -11.628 -12.767 1.00 0.00 PRO +ATOM 5632 HB1 CYS 397 -8.779 -12.006 -13.288 1.00 0.00 PRO +ATOM 5633 HB2 CYS 397 -9.558 -11.889 -11.693 1.00 0.00 PRO +ATOM 5634 SG CYS 397 -9.724 -9.822 -12.938 1.00 0.00 PRO +ATOM 5635 C CYS 397 -10.758 -13.800 -13.309 1.00 0.00 PRO +ATOM 5636 O CYS 397 -11.146 -14.509 -12.377 1.00 0.00 PRO +ATOM 5637 N SER 398 -10.119 -14.332 -14.360 1.00 0.00 PRO +ATOM 5638 HN SER 398 -9.791 -13.723 -15.071 1.00 0.00 PRO +ATOM 5639 CA SER 398 -9.748 -15.741 -14.453 1.00 0.00 PRO +ATOM 5640 HA SER 398 -10.645 -16.326 -14.326 1.00 0.00 PRO +ATOM 5641 CB SER 398 -9.082 -16.076 -15.820 1.00 0.00 PRO +ATOM 5642 HB1 SER 398 -8.107 -15.542 -15.891 1.00 0.00 PRO +ATOM 5643 HB2 SER 398 -9.757 -15.675 -16.605 1.00 0.00 PRO +ATOM 5644 OG SER 398 -8.902 -17.488 -16.025 1.00 0.00 PRO +ATOM 5645 HG1 SER 398 -8.103 -17.649 -16.550 1.00 0.00 PRO +ATOM 5646 C SER 398 -8.748 -16.129 -13.372 1.00 0.00 PRO +ATOM 5647 O SER 398 -7.880 -15.378 -13.011 1.00 0.00 PRO +ATOM 5648 N THR 399 -8.832 -17.404 -12.908 1.00 0.00 PRO +ATOM 5649 HN THR 399 -9.548 -18.018 -13.212 1.00 0.00 PRO +ATOM 5650 CA THR 399 -7.912 -17.955 -11.916 1.00 0.00 PRO +ATOM 5651 HA THR 399 -7.830 -17.253 -11.097 1.00 0.00 PRO +ATOM 5652 CB THR 399 -8.389 -19.294 -11.365 1.00 0.00 PRO +ATOM 5653 HB THR 399 -7.596 -19.789 -10.754 1.00 0.00 PRO +ATOM 5654 OG1 THR 399 -8.817 -20.171 -12.406 1.00 0.00 PRO +ATOM 5655 HG1 THR 399 -9.095 -20.969 -11.945 1.00 0.00 PRO +ATOM 5656 CG2 THR 399 -9.591 -19.025 -10.450 1.00 0.00 PRO +ATOM 5657 HG21 THR 399 -10.422 -18.548 -11.010 1.00 0.00 PRO +ATOM 5658 HG22 THR 399 -9.289 -18.330 -9.635 1.00 0.00 PRO +ATOM 5659 HG23 THR 399 -9.958 -19.963 -9.985 1.00 0.00 PRO +ATOM 5660 C THR 399 -6.504 -18.171 -12.443 1.00 0.00 PRO +ATOM 5661 O THR 399 -5.583 -18.489 -11.716 1.00 0.00 PRO +ATOM 5662 N SER 400 -6.348 -18.006 -13.775 1.00 0.00 PRO +ATOM 5663 HN SER 400 -7.152 -17.795 -14.314 1.00 0.00 PRO +ATOM 5664 CA SER 400 -5.085 -18.122 -14.476 1.00 0.00 PRO +ATOM 5665 HA SER 400 -4.374 -18.661 -13.865 1.00 0.00 PRO +ATOM 5666 CB SER 400 -5.312 -18.856 -15.834 1.00 0.00 PRO +ATOM 5667 HB1 SER 400 -5.846 -19.809 -15.621 1.00 0.00 PRO +ATOM 5668 HB2 SER 400 -4.319 -19.121 -16.265 1.00 0.00 PRO +ATOM 5669 OG SER 400 -6.067 -18.080 -16.784 1.00 0.00 PRO +ATOM 5670 HG1 SER 400 -5.411 -17.448 -17.111 1.00 0.00 PRO +ATOM 5671 C SER 400 -4.499 -16.758 -14.788 1.00 0.00 PRO +ATOM 5672 O SER 400 -3.550 -16.651 -15.568 1.00 0.00 PRO +ATOM 5673 N SER 401 -5.094 -15.668 -14.279 1.00 0.00 PRO +ATOM 5674 HN SER 401 -5.825 -15.764 -13.602 1.00 0.00 PRO +ATOM 5675 CA SER 401 -4.641 -14.313 -14.564 1.00 0.00 PRO +ATOM 5676 HA SER 401 -4.140 -14.314 -15.521 1.00 0.00 PRO +ATOM 5677 CB SER 401 -5.802 -13.281 -14.665 1.00 0.00 PRO +ATOM 5678 HB1 SER 401 -6.552 -13.648 -15.395 1.00 0.00 PRO +ATOM 5679 HB2 SER 401 -5.411 -12.310 -15.042 1.00 0.00 PRO +ATOM 5680 OG SER 401 -6.462 -13.019 -13.430 1.00 0.00 PRO +ATOM 5681 HG1 SER 401 -6.789 -13.845 -13.030 1.00 0.00 PRO +ATOM 5682 C SER 401 -3.612 -13.841 -13.554 1.00 0.00 PRO +ATOM 5683 O SER 401 -3.380 -14.462 -12.533 1.00 0.00 PRO +ATOM 5684 N GLY 402 -2.940 -12.709 -13.875 1.00 0.00 PRO +ATOM 5685 HN GLY 402 -3.085 -12.260 -14.746 1.00 0.00 PRO +ATOM 5686 CA GLY 402 -2.129 -11.983 -12.907 1.00 0.00 PRO +ATOM 5687 HA1 GLY 402 -2.641 -11.963 -11.953 1.00 0.00 PRO +ATOM 5688 HA2 GLY 402 -1.972 -10.996 -13.307 1.00 0.00 PRO +ATOM 5689 C GLY 402 -0.760 -12.544 -12.668 1.00 0.00 PRO +ATOM 5690 O GLY 402 -0.115 -12.249 -11.684 1.00 0.00 PRO +ATOM 5691 N VAL 403 -0.271 -13.375 -13.613 1.00 0.00 PRO +ATOM 5692 HN VAL 403 -0.846 -13.653 -14.365 1.00 0.00 PRO +ATOM 5693 CA VAL 403 1.100 -13.851 -13.611 1.00 0.00 PRO +ATOM 5694 HA VAL 403 1.306 -14.239 -12.625 1.00 0.00 PRO +ATOM 5695 CB VAL 403 1.292 -14.997 -14.604 1.00 0.00 PRO +ATOM 5696 HB VAL 403 0.956 -14.671 -15.617 1.00 0.00 PRO +ATOM 5697 CG1 VAL 403 2.775 -15.424 -14.690 1.00 0.00 PRO +ATOM 5698 HG11 VAL 403 3.163 -15.686 -13.682 1.00 0.00 PRO +ATOM 5699 HG12 VAL 403 3.409 -14.619 -15.117 1.00 0.00 PRO +ATOM 5700 HG13 VAL 403 2.873 -16.314 -15.347 1.00 0.00 PRO +ATOM 5701 CG2 VAL 403 0.413 -16.188 -14.167 1.00 0.00 PRO +ATOM 5702 HG21 VAL 403 -0.665 -15.919 -14.173 1.00 0.00 PRO +ATOM 5703 HG22 VAL 403 0.683 -16.512 -13.140 1.00 0.00 PRO +ATOM 5704 HG23 VAL 403 0.558 -17.041 -14.864 1.00 0.00 PRO +ATOM 5705 C VAL 403 2.047 -12.703 -13.946 1.00 0.00 PRO +ATOM 5706 O VAL 403 1.925 -12.199 -15.088 1.00 0.00 PRO +ATOM 5707 N PRO 404 2.961 -12.234 -13.090 1.00 0.00 PRO +ATOM 5708 CD PRO 404 3.185 -12.796 -11.747 1.00 0.00 PRO +ATOM 5709 HD1 PRO 404 3.735 -13.758 -11.834 1.00 0.00 PRO +ATOM 5710 HD2 PRO 404 2.229 -12.938 -11.200 1.00 0.00 PRO +ATOM 5711 CA PRO 404 3.768 -11.026 -13.278 1.00 0.00 PRO +ATOM 5712 HA PRO 404 3.112 -10.178 -13.135 1.00 0.00 PRO +ATOM 5713 CB PRO 404 4.800 -11.076 -12.156 1.00 0.00 PRO +ATOM 5714 HB1 PRO 404 5.128 -10.050 -11.876 1.00 0.00 PRO +ATOM 5715 HB2 PRO 404 5.690 -11.687 -12.422 1.00 0.00 PRO +ATOM 5716 CG PRO 404 4.034 -11.755 -11.024 1.00 0.00 PRO +ATOM 5717 HG1 PRO 404 4.699 -12.196 -10.259 1.00 0.00 PRO +ATOM 5718 HG2 PRO 404 3.367 -11.003 -10.540 1.00 0.00 PRO +ATOM 5719 C PRO 404 4.376 -10.828 -14.651 1.00 0.00 PRO +ATOM 5720 O PRO 404 4.104 -9.851 -15.335 1.00 0.00 PRO +ATOM 5721 N ALA 405 5.144 -11.834 -15.125 1.00 0.00 PRO +ATOM 5722 HN ALA 405 5.329 -12.610 -14.534 1.00 0.00 PRO +ATOM 5723 CA ALA 405 5.828 -11.756 -16.398 1.00 0.00 PRO +ATOM 5724 HA ALA 405 6.492 -10.905 -16.341 1.00 0.00 PRO +ATOM 5725 CB ALA 405 6.628 -13.057 -16.636 1.00 0.00 PRO +ATOM 5726 HB1 ALA 405 5.958 -13.943 -16.637 1.00 0.00 PRO +ATOM 5727 HB2 ALA 405 7.376 -13.187 -15.825 1.00 0.00 PRO +ATOM 5728 HB3 ALA 405 7.165 -13.022 -17.604 1.00 0.00 PRO +ATOM 5729 C ALA 405 4.891 -11.543 -17.574 1.00 0.00 PRO +ATOM 5730 O ALA 405 5.196 -10.785 -18.520 1.00 0.00 PRO +ATOM 5731 N GLN 406 3.734 -12.218 -17.562 1.00 0.00 PRO +ATOM 5732 HN GLN 406 3.503 -12.758 -16.750 1.00 0.00 PRO +ATOM 5733 CA GLN 406 2.689 -12.055 -18.542 1.00 0.00 PRO +ATOM 5734 HA GLN 406 3.154 -12.142 -19.513 1.00 0.00 PRO +ATOM 5735 CB GLN 406 1.633 -13.183 -18.421 1.00 0.00 PRO +ATOM 5736 HB1 GLN 406 1.154 -13.138 -17.417 1.00 0.00 PRO +ATOM 5737 HB2 GLN 406 2.175 -14.154 -18.483 1.00 0.00 PRO +ATOM 5738 CG GLN 406 0.540 -13.124 -19.517 1.00 0.00 PRO +ATOM 5739 HG1 GLN 406 1.035 -13.027 -20.507 1.00 0.00 PRO +ATOM 5740 HG2 GLN 406 -0.115 -12.244 -19.356 1.00 0.00 PRO +ATOM 5741 CD GLN 406 -0.334 -14.376 -19.513 1.00 0.00 PRO +ATOM 5742 OE1 GLN 406 -0.485 -15.086 -18.530 1.00 0.00 PRO +ATOM 5743 NE2 GLN 406 -0.954 -14.694 -20.691 1.00 0.00 PRO +ATOM 5744 HE21 GLN 406 -0.748 -14.123 -21.505 1.00 0.00 PRO +ATOM 5745 HE22 GLN 406 -1.431 -15.538 -20.724 1.00 0.00 PRO +ATOM 5746 C GLN 406 2.014 -10.691 -18.512 1.00 0.00 PRO +ATOM 5747 O GLN 406 1.835 -10.070 -19.567 1.00 0.00 PRO +ATOM 5748 N VAL 407 1.632 -10.171 -17.327 1.00 0.00 PRO +ATOM 5749 HN VAL 407 1.844 -10.635 -16.459 1.00 0.00 PRO +ATOM 5750 CA VAL 407 0.955 -8.880 -17.213 1.00 0.00 PRO +ATOM 5751 HA VAL 407 0.206 -8.861 -17.992 1.00 0.00 PRO +ATOM 5752 CB VAL 407 0.184 -8.666 -15.909 1.00 0.00 PRO +ATOM 5753 HB VAL 407 -0.308 -7.665 -15.941 1.00 0.00 PRO +ATOM 5754 CG1 VAL 407 -0.919 -9.741 -15.798 1.00 0.00 PRO +ATOM 5755 HG11 VAL 407 -0.465 -10.742 -15.633 1.00 0.00 PRO +ATOM 5756 HG12 VAL 407 -1.543 -9.781 -16.713 1.00 0.00 PRO +ATOM 5757 HG13 VAL 407 -1.574 -9.510 -14.931 1.00 0.00 PRO +ATOM 5758 CG2 VAL 407 1.089 -8.685 -14.667 1.00 0.00 PRO +ATOM 5759 HG21 VAL 407 1.901 -7.930 -14.722 1.00 0.00 PRO +ATOM 5760 HG22 VAL 407 1.551 -9.681 -14.529 1.00 0.00 PRO +ATOM 5761 HG23 VAL 407 0.500 -8.459 -13.751 1.00 0.00 PRO +ATOM 5762 C VAL 407 1.861 -7.710 -17.537 1.00 0.00 PRO +ATOM 5763 O VAL 407 1.461 -6.768 -18.233 1.00 0.00 PRO +ATOM 5764 N GLU 408 3.139 -7.764 -17.131 1.00 0.00 PRO +ATOM 5765 HN GLU 408 3.449 -8.499 -16.508 1.00 0.00 PRO +ATOM 5766 CA GLU 408 4.147 -6.787 -17.499 1.00 0.00 PRO +ATOM 5767 HA GLU 408 3.831 -5.813 -17.163 1.00 0.00 PRO +ATOM 5768 CB GLU 408 5.484 -7.160 -16.831 1.00 0.00 PRO +ATOM 5769 HB1 GLU 408 6.329 -6.599 -17.284 1.00 0.00 PRO +ATOM 5770 HB2 GLU 408 5.628 -8.248 -17.041 1.00 0.00 PRO +ATOM 5771 CG GLU 408 5.558 -6.934 -15.295 1.00 0.00 PRO +ATOM 5772 HG1 GLU 408 4.617 -7.244 -14.789 1.00 0.00 PRO +ATOM 5773 HG2 GLU 408 5.715 -5.860 -15.065 1.00 0.00 PRO +ATOM 5774 CD GLU 408 6.708 -7.746 -14.691 1.00 0.00 PRO +ATOM 5775 OE1 GLU 408 7.384 -8.444 -15.522 1.00 0.00 PRO +ATOM 5776 OE2 GLU 408 7.043 -7.658 -13.501 1.00 0.00 PRO +ATOM 5777 C GLU 408 4.379 -6.714 -18.999 1.00 0.00 PRO +ATOM 5778 O GLU 408 4.539 -5.643 -19.596 1.00 0.00 PRO +ATOM 5779 N SER 409 4.431 -7.877 -19.665 1.00 0.00 PRO +ATOM 5780 HN SER 409 4.318 -8.726 -19.138 1.00 0.00 PRO +ATOM 5781 CA SER 409 4.604 -7.978 -21.103 1.00 0.00 PRO +ATOM 5782 HA SER 409 5.401 -7.306 -21.384 1.00 0.00 PRO +ATOM 5783 CB SER 409 4.987 -9.424 -21.505 1.00 0.00 PRO +ATOM 5784 HB1 SER 409 4.143 -10.120 -21.291 1.00 0.00 PRO +ATOM 5785 HB2 SER 409 5.842 -9.740 -20.865 1.00 0.00 PRO +ATOM 5786 OG SER 409 5.388 -9.523 -22.873 1.00 0.00 PRO +ATOM 5787 HG1 SER 409 4.598 -9.381 -23.421 1.00 0.00 PRO +ATOM 5788 C SER 409 3.395 -7.542 -21.916 1.00 0.00 PRO +ATOM 5789 O SER 409 3.527 -6.960 -22.985 1.00 0.00 PRO +ATOM 5790 N GLN 410 2.176 -7.847 -21.433 1.00 0.00 PRO +ATOM 5791 HN GLN 410 2.082 -8.320 -20.555 1.00 0.00 PRO +ATOM 5792 CA GLN 410 0.960 -7.601 -22.188 1.00 0.00 PRO +ATOM 5793 HA GLN 410 1.181 -7.626 -23.246 1.00 0.00 PRO +ATOM 5794 CB GLN 410 -0.084 -8.702 -21.880 1.00 0.00 PRO +ATOM 5795 HB1 GLN 410 -1.080 -8.390 -22.272 1.00 0.00 PRO +ATOM 5796 HB2 GLN 410 -0.159 -8.789 -20.771 1.00 0.00 PRO +ATOM 5797 CG GLN 410 0.268 -10.078 -22.512 1.00 0.00 PRO +ATOM 5798 HG1 GLN 410 1.241 -10.434 -22.114 1.00 0.00 PRO +ATOM 5799 HG2 GLN 410 0.351 -9.957 -23.612 1.00 0.00 PRO +ATOM 5800 CD GLN 410 -0.774 -11.145 -22.231 1.00 0.00 PRO +ATOM 5801 OE1 GLN 410 -0.775 -12.254 -22.845 1.00 0.00 PRO +ATOM 5802 NE2 GLN 410 -1.729 -10.919 -21.316 1.00 0.00 PRO +ATOM 5803 HE21 GLN 410 -2.297 -11.630 -20.986 1.00 0.00 PRO +ATOM 5804 HE22 GLN 410 -1.733 -9.984 -20.883 1.00 0.00 PRO +ATOM 5805 C GLN 410 0.332 -6.248 -21.929 1.00 0.00 PRO +ATOM 5806 O GLN 410 -0.429 -5.736 -22.765 1.00 0.00 PRO +ATOM 5807 N SER 411 0.664 -5.613 -20.797 1.00 0.00 PRO +ATOM 5808 HN SER 411 1.249 -6.049 -20.104 1.00 0.00 PRO +ATOM 5809 CA SER 411 0.110 -4.321 -20.440 1.00 0.00 PRO +ATOM 5810 HA SER 411 -0.179 -3.799 -21.337 1.00 0.00 PRO +ATOM 5811 CB SER 411 -1.159 -4.454 -19.546 1.00 0.00 PRO +ATOM 5812 HB1 SER 411 -1.532 -3.456 -19.229 1.00 0.00 PRO +ATOM 5813 HB2 SER 411 -0.902 -5.032 -18.626 1.00 0.00 PRO +ATOM 5814 OG SER 411 -2.214 -5.130 -20.246 1.00 0.00 PRO +ATOM 5815 HG1 SER 411 -2.518 -4.556 -20.957 1.00 0.00 PRO +ATOM 5816 C SER 411 1.136 -3.422 -19.769 1.00 0.00 PRO +ATOM 5817 O SER 411 0.891 -2.962 -18.657 1.00 0.00 PRO +ATOM 5818 N PRO 412 2.272 -3.067 -20.386 1.00 0.00 PRO +ATOM 5819 CD PRO 412 2.631 -3.415 -21.767 1.00 0.00 PRO +ATOM 5820 HD1 PRO 412 1.795 -3.214 -22.471 1.00 0.00 PRO +ATOM 5821 HD2 PRO 412 2.915 -4.491 -21.805 1.00 0.00 PRO +ATOM 5822 CA PRO 412 3.313 -2.268 -19.742 1.00 0.00 PRO +ATOM 5823 HA PRO 412 3.516 -2.659 -18.753 1.00 0.00 PRO +ATOM 5824 CB PRO 412 4.504 -2.374 -20.714 1.00 0.00 PRO +ATOM 5825 HB1 PRO 412 5.079 -3.291 -20.453 1.00 0.00 PRO +ATOM 5826 HB2 PRO 412 5.186 -1.500 -20.655 1.00 0.00 PRO +ATOM 5827 CG PRO 412 3.856 -2.556 -22.090 1.00 0.00 PRO +ATOM 5828 HG1 PRO 412 3.527 -1.573 -22.493 1.00 0.00 PRO +ATOM 5829 HG2 PRO 412 4.518 -3.055 -22.826 1.00 0.00 PRO +ATOM 5830 C PRO 412 2.893 -0.822 -19.577 1.00 0.00 PRO +ATOM 5831 O PRO 412 3.456 -0.116 -18.753 1.00 0.00 PRO +ATOM 5832 N ASN 413 1.926 -0.360 -20.394 1.00 0.00 PRO +ATOM 5833 HN ASN 413 1.513 -0.989 -21.040 1.00 0.00 PRO +ATOM 5834 CA ASN 413 1.483 1.019 -20.432 1.00 0.00 PRO +ATOM 5835 HA ASN 413 2.268 1.658 -20.044 1.00 0.00 PRO +ATOM 5836 CB ASN 413 1.120 1.438 -21.884 1.00 0.00 PRO +ATOM 5837 HB1 ASN 413 0.827 2.508 -21.920 1.00 0.00 PRO +ATOM 5838 HB2 ASN 413 0.271 0.832 -22.265 1.00 0.00 PRO +ATOM 5839 CG ASN 413 2.301 1.222 -22.825 1.00 0.00 PRO +ATOM 5840 OD1 ASN 413 2.240 0.421 -23.765 1.00 0.00 PRO +ATOM 5841 ND2 ASN 413 3.425 1.924 -22.581 1.00 0.00 PRO +ATOM 5842 HD21 ASN 413 4.217 1.756 -23.159 1.00 0.00 PRO +ATOM 5843 HD22 ASN 413 3.538 2.438 -21.723 1.00 0.00 PRO +ATOM 5844 C ASN 413 0.278 1.215 -19.524 1.00 0.00 PRO +ATOM 5845 O ASN 413 -0.385 2.250 -19.563 1.00 0.00 PRO +ATOM 5846 N ALA 414 -0.015 0.211 -18.672 1.00 0.00 PRO +ATOM 5847 HN ALA 414 0.539 -0.618 -18.675 1.00 0.00 PRO +ATOM 5848 CA ALA 414 -0.919 0.312 -17.551 1.00 0.00 PRO +ATOM 5849 HA ALA 414 -1.884 0.618 -17.926 1.00 0.00 PRO +ATOM 5850 CB ALA 414 -1.043 -1.054 -16.850 1.00 0.00 PRO +ATOM 5851 HB1 ALA 414 -0.049 -1.417 -16.512 1.00 0.00 PRO +ATOM 5852 HB2 ALA 414 -1.466 -1.807 -17.547 1.00 0.00 PRO +ATOM 5853 HB3 ALA 414 -1.713 -0.991 -15.967 1.00 0.00 PRO +ATOM 5854 C ALA 414 -0.453 1.358 -16.542 1.00 0.00 PRO +ATOM 5855 O ALA 414 0.731 1.591 -16.354 1.00 0.00 PRO +ATOM 5856 N LYS 415 -1.404 2.032 -15.872 1.00 0.00 PRO +ATOM 5857 HN LYS 415 -2.371 1.823 -15.958 1.00 0.00 PRO +ATOM 5858 CA LYS 415 -1.024 3.045 -14.920 1.00 0.00 PRO +ATOM 5859 HA LYS 415 -0.208 2.670 -14.314 1.00 0.00 PRO +ATOM 5860 CB LYS 415 -0.601 4.387 -15.582 1.00 0.00 PRO +ATOM 5861 HB1 LYS 415 0.262 4.189 -16.258 1.00 0.00 PRO +ATOM 5862 HB2 LYS 415 -0.215 5.071 -14.794 1.00 0.00 PRO +ATOM 5863 CG LYS 415 -1.688 5.130 -16.374 1.00 0.00 PRO +ATOM 5864 HG1 LYS 415 -2.600 5.250 -15.748 1.00 0.00 PRO +ATOM 5865 HG2 LYS 415 -1.962 4.531 -17.272 1.00 0.00 PRO +ATOM 5866 CD LYS 415 -1.187 6.524 -16.789 1.00 0.00 PRO +ATOM 5867 HD1 LYS 415 -0.316 6.390 -17.474 1.00 0.00 PRO +ATOM 5868 HD2 LYS 415 -0.801 7.028 -15.872 1.00 0.00 PRO +ATOM 5869 CE LYS 415 -2.272 7.375 -17.443 1.00 0.00 PRO +ATOM 5870 HE1 LYS 415 -3.163 7.443 -16.779 1.00 0.00 PRO +ATOM 5871 HE2 LYS 415 -2.577 6.931 -18.415 1.00 0.00 PRO +ATOM 5872 NZ LYS 415 -1.766 8.744 -17.677 1.00 0.00 PRO +ATOM 5873 HZ1 LYS 415 -0.898 8.712 -18.253 1.00 0.00 PRO +ATOM 5874 HZ2 LYS 415 -1.519 9.175 -16.763 1.00 0.00 PRO +ATOM 5875 HZ3 LYS 415 -2.490 9.319 -18.153 1.00 0.00 PRO +ATOM 5876 C LYS 415 -2.167 3.304 -13.980 1.00 0.00 PRO +ATOM 5877 O LYS 415 -3.328 2.985 -14.265 1.00 0.00 PRO +ATOM 5878 N VAL 416 -1.862 3.927 -12.841 1.00 0.00 PRO +ATOM 5879 HN VAL 416 -0.905 4.171 -12.653 1.00 0.00 PRO +ATOM 5880 CA VAL 416 -2.843 4.419 -11.900 1.00 0.00 PRO +ATOM 5881 HA VAL 416 -3.837 4.286 -12.306 1.00 0.00 PRO +ATOM 5882 CB VAL 416 -2.785 3.709 -10.549 1.00 0.00 PRO +ATOM 5883 HB VAL 416 -2.834 2.613 -10.756 1.00 0.00 PRO +ATOM 5884 CG1 VAL 416 -1.461 3.977 -9.807 1.00 0.00 PRO +ATOM 5885 HG11 VAL 416 -1.375 5.038 -9.497 1.00 0.00 PRO +ATOM 5886 HG12 VAL 416 -0.593 3.719 -10.447 1.00 0.00 PRO +ATOM 5887 HG13 VAL 416 -1.407 3.348 -8.890 1.00 0.00 PRO +ATOM 5888 CG2 VAL 416 -4.011 4.081 -9.685 1.00 0.00 PRO +ATOM 5889 HG21 VAL 416 -4.957 3.888 -10.233 1.00 0.00 PRO +ATOM 5890 HG22 VAL 416 -3.981 5.146 -9.376 1.00 0.00 PRO +ATOM 5891 HG23 VAL 416 -4.019 3.470 -8.757 1.00 0.00 PRO +ATOM 5892 C VAL 416 -2.597 5.907 -11.790 1.00 0.00 PRO +ATOM 5893 O VAL 416 -1.481 6.401 -11.913 1.00 0.00 PRO +ATOM 5894 N THR 417 -3.677 6.695 -11.629 1.00 0.00 PRO +ATOM 5895 HN THR 417 -4.589 6.292 -11.551 1.00 0.00 PRO +ATOM 5896 CA THR 417 -3.538 8.119 -11.374 1.00 0.00 PRO +ATOM 5897 HA THR 417 -2.519 8.351 -11.097 1.00 0.00 PRO +ATOM 5898 CB THR 417 -3.931 9.009 -12.549 1.00 0.00 PRO +ATOM 5899 HB THR 417 -4.997 8.831 -12.822 1.00 0.00 PRO +ATOM 5900 OG1 THR 417 -3.116 8.712 -13.679 1.00 0.00 PRO +ATOM 5901 HG1 THR 417 -3.152 7.748 -13.731 1.00 0.00 PRO +ATOM 5902 CG2 THR 417 -3.716 10.495 -12.231 1.00 0.00 PRO +ATOM 5903 HG21 THR 417 -2.674 10.678 -11.897 1.00 0.00 PRO +ATOM 5904 HG22 THR 417 -4.401 10.841 -11.429 1.00 0.00 PRO +ATOM 5905 HG23 THR 417 -3.901 11.110 -13.134 1.00 0.00 PRO +ATOM 5906 C THR 417 -4.391 8.445 -10.182 1.00 0.00 PRO +ATOM 5907 O THR 417 -5.595 8.196 -10.178 1.00 0.00 PRO +ATOM 5908 N PHE 418 -3.773 9.031 -9.146 1.00 0.00 PRO +ATOM 5909 HN PHE 418 -2.799 9.261 -9.210 1.00 0.00 PRO +ATOM 5910 CA PHE 418 -4.441 9.517 -7.961 1.00 0.00 PRO +ATOM 5911 HA PHE 418 -5.470 9.174 -7.936 1.00 0.00 PRO +ATOM 5912 CB PHE 418 -3.717 9.122 -6.645 1.00 0.00 PRO +ATOM 5913 HB1 PHE 418 -4.265 9.506 -5.758 1.00 0.00 PRO +ATOM 5914 HB2 PHE 418 -2.688 9.539 -6.633 1.00 0.00 PRO +ATOM 5915 CG PHE 418 -3.620 7.628 -6.510 1.00 0.00 PRO +ATOM 5916 CD1 PHE 418 -4.744 6.885 -6.112 1.00 0.00 PRO +ATOM 5917 HD1 PHE 418 -5.684 7.385 -5.935 1.00 0.00 PRO +ATOM 5918 CE1 PHE 418 -4.657 5.499 -5.938 1.00 0.00 PRO +ATOM 5919 HE1 PHE 418 -5.525 4.934 -5.630 1.00 0.00 PRO +ATOM 5920 CZ PHE 418 -3.438 4.845 -6.147 1.00 0.00 PRO +ATOM 5921 HZ PHE 418 -3.363 3.777 -5.999 1.00 0.00 PRO +ATOM 5922 CD2 PHE 418 -2.397 6.960 -6.704 1.00 0.00 PRO +ATOM 5923 HD2 PHE 418 -1.517 7.519 -6.984 1.00 0.00 PRO +ATOM 5924 CE2 PHE 418 -2.306 5.574 -6.526 1.00 0.00 PRO +ATOM 5925 HE2 PHE 418 -1.365 5.059 -6.667 1.00 0.00 PRO +ATOM 5926 C PHE 418 -4.446 11.021 -8.071 1.00 0.00 PRO +ATOM 5927 O PHE 418 -3.532 11.630 -8.650 1.00 0.00 PRO +ATOM 5928 N SER 419 -5.481 11.692 -7.569 1.00 0.00 PRO +ATOM 5929 HN SER 419 -6.260 11.225 -7.125 1.00 0.00 PRO +ATOM 5930 CA SER 419 -5.507 13.137 -7.609 1.00 0.00 PRO +ATOM 5931 HA SER 419 -4.533 13.481 -7.292 1.00 0.00 PRO +ATOM 5932 CB SER 419 -5.828 13.729 -9.018 1.00 0.00 PRO +ATOM 5933 HB1 SER 419 -4.998 13.454 -9.705 1.00 0.00 PRO +ATOM 5934 HB2 SER 419 -5.872 14.840 -8.986 1.00 0.00 PRO +ATOM 5935 OG SER 419 -7.042 13.207 -9.568 1.00 0.00 PRO +ATOM 5936 HG1 SER 419 -6.959 12.249 -9.499 1.00 0.00 PRO +ATOM 5937 C SER 419 -6.480 13.655 -6.585 1.00 0.00 PRO +ATOM 5938 O SER 419 -7.253 12.907 -6.007 1.00 0.00 PRO +ATOM 5939 N ASN 420 -6.434 14.975 -6.304 1.00 0.00 PRO +ATOM 5940 HN ASN 420 -5.702 15.513 -6.715 1.00 0.00 PRO +ATOM 5941 CA ASN 420 -7.458 15.669 -5.535 1.00 0.00 PRO +ATOM 5942 HA ASN 420 -7.122 16.691 -5.460 1.00 0.00 PRO +ATOM 5943 CB ASN 420 -8.823 15.633 -6.290 1.00 0.00 PRO +ATOM 5944 HB1 ASN 420 -9.281 14.629 -6.167 1.00 0.00 PRO +ATOM 5945 HB2 ASN 420 -8.629 15.781 -7.371 1.00 0.00 PRO +ATOM 5946 CG ASN 420 -9.823 16.703 -5.848 1.00 0.00 PRO +ATOM 5947 OD1 ASN 420 -9.509 17.734 -5.252 1.00 0.00 PRO +ATOM 5948 ND2 ASN 420 -11.111 16.457 -6.186 1.00 0.00 PRO +ATOM 5949 HD21 ASN 420 -11.326 15.595 -6.654 1.00 0.00 PRO +ATOM 5950 HD22 ASN 420 -11.842 16.955 -5.713 1.00 0.00 PRO +ATOM 5951 C ASN 420 -7.587 15.174 -4.098 1.00 0.00 PRO +ATOM 5952 O ASN 420 -8.680 14.958 -3.588 1.00 0.00 PRO +ATOM 5953 N ILE 421 -6.446 14.982 -3.407 1.00 0.00 PRO +ATOM 5954 HN ILE 421 -5.560 15.105 -3.838 1.00 0.00 PRO +ATOM 5955 CA ILE 421 -6.437 14.599 -2.008 1.00 0.00 PRO +ATOM 5956 HA ILE 421 -7.110 13.755 -1.900 1.00 0.00 PRO +ATOM 5957 CB ILE 421 -5.063 14.120 -1.538 1.00 0.00 PRO +ATOM 5958 HB ILE 421 -4.307 14.898 -1.794 1.00 0.00 PRO +ATOM 5959 CG2 ILE 421 -5.056 13.910 -0.003 1.00 0.00 PRO +ATOM 5960 HG21 ILE 421 -5.899 13.247 0.287 1.00 0.00 PRO +ATOM 5961 HG22 ILE 421 -5.159 14.865 0.551 1.00 0.00 PRO +ATOM 5962 HG23 ILE 421 -4.111 13.436 0.330 1.00 0.00 PRO +ATOM 5963 CG1 ILE 421 -4.683 12.815 -2.286 1.00 0.00 PRO +ATOM 5964 HG11 ILE 421 -4.916 12.911 -3.369 1.00 0.00 PRO +ATOM 5965 HG12 ILE 421 -5.316 11.988 -1.891 1.00 0.00 PRO +ATOM 5966 CD ILE 421 -3.203 12.438 -2.155 1.00 0.00 PRO +ATOM 5967 HD1 ILE 421 -2.911 12.338 -1.089 1.00 0.00 PRO +ATOM 5968 HD2 ILE 421 -2.554 13.211 -2.622 1.00 0.00 PRO +ATOM 5969 HD3 ILE 421 -3.011 11.461 -2.647 1.00 0.00 PRO +ATOM 5970 C ILE 421 -6.992 15.697 -1.124 1.00 0.00 PRO +ATOM 5971 O ILE 421 -6.553 16.863 -1.177 1.00 0.00 PRO +ATOM 5972 N LYS 422 -7.971 15.370 -0.281 1.00 0.00 PRO +ATOM 5973 HN LYS 422 -8.325 14.424 -0.262 1.00 0.00 PRO +ATOM 5974 CA LYS 422 -8.581 16.311 0.622 1.00 0.00 PRO +ATOM 5975 HA LYS 422 -7.892 17.113 0.821 1.00 0.00 PRO +ATOM 5976 CB LYS 422 -9.944 16.865 0.119 1.00 0.00 PRO +ATOM 5977 HB1 LYS 422 -10.230 17.700 0.793 1.00 0.00 PRO +ATOM 5978 HB2 LYS 422 -10.719 16.074 0.204 1.00 0.00 PRO +ATOM 5979 CG LYS 422 -9.949 17.325 -1.350 1.00 0.00 PRO +ATOM 5980 HG1 LYS 422 -9.812 16.426 -1.995 1.00 0.00 PRO +ATOM 5981 HG2 LYS 422 -9.084 17.991 -1.552 1.00 0.00 PRO +ATOM 5982 CD LYS 422 -11.254 18.021 -1.786 1.00 0.00 PRO +ATOM 5983 HD1 LYS 422 -12.086 17.287 -1.674 1.00 0.00 PRO +ATOM 5984 HD2 LYS 422 -11.156 18.253 -2.872 1.00 0.00 PRO +ATOM 5985 CE LYS 422 -11.579 19.299 -0.997 1.00 0.00 PRO +ATOM 5986 HE1 LYS 422 -10.746 20.029 -1.081 1.00 0.00 PRO +ATOM 5987 HE2 LYS 422 -11.751 19.062 0.074 1.00 0.00 PRO +ATOM 5988 NZ LYS 422 -12.813 19.923 -1.512 1.00 0.00 PRO +ATOM 5989 HZ1 LYS 422 -13.605 19.252 -1.393 1.00 0.00 PRO +ATOM 5990 HZ2 LYS 422 -12.706 20.153 -2.517 1.00 0.00 PRO +ATOM 5991 HZ3 LYS 422 -13.072 20.792 -0.989 1.00 0.00 PRO +ATOM 5992 C LYS 422 -8.805 15.557 1.915 1.00 0.00 PRO +ATOM 5993 O LYS 422 -9.210 14.422 1.944 1.00 0.00 PRO +ATOM 5994 N PHE 423 -8.493 16.238 3.037 1.00 0.00 PRO +ATOM 5995 HN PHE 423 -8.125 17.160 3.001 1.00 0.00 PRO +ATOM 5996 CA PHE 423 -8.543 15.616 4.332 1.00 0.00 PRO +ATOM 5997 HA PHE 423 -9.261 14.801 4.335 1.00 0.00 PRO +ATOM 5998 CB PHE 423 -7.131 15.060 4.673 1.00 0.00 PRO +ATOM 5999 HB1 PHE 423 -6.372 15.837 4.435 1.00 0.00 PRO +ATOM 6000 HB2 PHE 423 -6.920 14.181 4.026 1.00 0.00 PRO +ATOM 6001 CG PHE 423 -6.972 14.648 6.111 1.00 0.00 PRO +ATOM 6002 CD1 PHE 423 -7.505 13.434 6.567 1.00 0.00 PRO +ATOM 6003 HD1 PHE 423 -8.046 12.794 5.884 1.00 0.00 PRO +ATOM 6004 CE1 PHE 423 -7.346 13.045 7.902 1.00 0.00 PRO +ATOM 6005 HE1 PHE 423 -7.764 12.108 8.242 1.00 0.00 PRO +ATOM 6006 CZ PHE 423 -6.639 13.865 8.788 1.00 0.00 PRO +ATOM 6007 HZ PHE 423 -6.506 13.548 9.809 1.00 0.00 PRO +ATOM 6008 CD2 PHE 423 -6.260 15.464 7.007 1.00 0.00 PRO +ATOM 6009 HD2 PHE 423 -5.831 16.386 6.647 1.00 0.00 PRO +ATOM 6010 CE2 PHE 423 -6.090 15.075 8.342 1.00 0.00 PRO +ATOM 6011 HE2 PHE 423 -5.519 15.690 9.020 1.00 0.00 PRO +ATOM 6012 C PHE 423 -9.060 16.631 5.322 1.00 0.00 PRO +ATOM 6013 O PHE 423 -8.576 17.782 5.374 1.00 0.00 PRO +ATOM 6014 N GLY 424 -10.056 16.292 6.131 1.00 0.00 PRO +ATOM 6015 HN GLY 424 -10.461 15.365 6.112 1.00 0.00 PRO +ATOM 6016 CA GLY 424 -10.594 17.216 7.110 1.00 0.00 PRO +ATOM 6017 HA1 GLY 424 -11.230 17.916 6.598 1.00 0.00 PRO +ATOM 6018 HA2 GLY 424 -9.781 17.676 7.645 1.00 0.00 PRO +ATOM 6019 C GLY 424 -11.441 16.434 8.077 1.00 0.00 PRO +ATOM 6020 O GLY 424 -11.534 15.239 7.952 1.00 0.00 PRO +ATOM 6021 N PRO 425 -12.072 17.107 9.046 1.00 0.00 PRO +ATOM 6022 CD PRO 425 -11.780 18.485 9.414 1.00 0.00 PRO +ATOM 6023 HD1 PRO 425 -12.186 19.166 8.631 1.00 0.00 PRO +ATOM 6024 HD2 PRO 425 -10.688 18.654 9.539 1.00 0.00 PRO +ATOM 6025 CA PRO 425 -13.217 16.577 9.787 1.00 0.00 PRO +ATOM 6026 HA PRO 425 -12.825 15.810 10.440 1.00 0.00 PRO +ATOM 6027 CB PRO 425 -13.760 17.802 10.544 1.00 0.00 PRO +ATOM 6028 HB1 PRO 425 -14.229 17.509 11.507 1.00 0.00 PRO +ATOM 6029 HB2 PRO 425 -14.504 18.350 9.922 1.00 0.00 PRO +ATOM 6030 CG PRO 425 -12.523 18.679 10.735 1.00 0.00 PRO +ATOM 6031 HG1 PRO 425 -12.771 19.736 10.947 1.00 0.00 PRO +ATOM 6032 HG2 PRO 425 -11.910 18.262 11.568 1.00 0.00 PRO +ATOM 6033 C PRO 425 -14.295 15.925 8.950 1.00 0.00 PRO +ATOM 6034 O PRO 425 -14.425 16.243 7.760 1.00 0.00 PRO +ATOM 6035 N ILE 426 -15.093 15.024 9.532 1.00 0.00 PRO +ATOM 6036 HN ILE 426 -14.949 14.797 10.492 1.00 0.00 PRO +ATOM 6037 CA ILE 426 -16.196 14.371 8.836 1.00 0.00 PRO +ATOM 6038 HA ILE 426 -15.777 13.891 7.961 1.00 0.00 PRO +ATOM 6039 CB ILE 426 -16.837 13.274 9.683 1.00 0.00 PRO +ATOM 6040 HB ILE 426 -17.153 13.712 10.654 1.00 0.00 PRO +ATOM 6041 CG2 ILE 426 -18.102 12.695 9.006 1.00 0.00 PRO +ATOM 6042 HG21 ILE 426 -17.841 12.288 8.009 1.00 0.00 PRO +ATOM 6043 HG22 ILE 426 -18.900 13.456 8.882 1.00 0.00 PRO +ATOM 6044 HG23 ILE 426 -18.535 11.874 9.612 1.00 0.00 PRO +ATOM 6045 CG1 ILE 426 -15.787 12.171 9.950 1.00 0.00 PRO +ATOM 6046 HG11 ILE 426 -14.830 12.614 10.302 1.00 0.00 PRO +ATOM 6047 HG12 ILE 426 -15.568 11.656 8.987 1.00 0.00 PRO +ATOM 6048 CD ILE 426 -16.223 11.139 10.990 1.00 0.00 PRO +ATOM 6049 HD1 ILE 426 -17.128 10.587 10.659 1.00 0.00 PRO +ATOM 6050 HD2 ILE 426 -16.423 11.621 11.969 1.00 0.00 PRO +ATOM 6051 HD3 ILE 426 -15.411 10.398 11.126 1.00 0.00 PRO +ATOM 6052 C ILE 426 -17.240 15.352 8.320 1.00 0.00 PRO +ATOM 6053 O ILE 426 -17.806 16.140 9.088 1.00 0.00 PRO +ATOM 6054 N GLY 427 -17.507 15.322 7.001 1.00 0.00 PRO +ATOM 6055 HN GLY 427 -17.022 14.658 6.407 1.00 0.00 PRO +ATOM 6056 CA GLY 427 -18.448 16.213 6.332 1.00 0.00 PRO +ATOM 6057 HA1 GLY 427 -19.271 16.427 6.998 1.00 0.00 PRO +ATOM 6058 HA2 GLY 427 -18.758 15.717 5.424 1.00 0.00 PRO +ATOM 6059 C GLY 427 -17.838 17.523 5.929 1.00 0.00 PRO +ATOM 6060 O GLY 427 -18.547 18.537 5.799 1.00 0.00 PRO +ATOM 6061 N SER 428 -16.514 17.581 5.720 1.00 0.00 PRO +ATOM 6062 HN SER 428 -15.971 16.736 5.811 1.00 0.00 PRO +ATOM 6063 CA SER 428 -15.853 18.823 5.334 1.00 0.00 PRO +ATOM 6064 HA SER 428 -16.587 19.602 5.234 1.00 0.00 PRO +ATOM 6065 CB SER 428 -14.825 19.327 6.382 1.00 0.00 PRO +ATOM 6066 HB1 SER 428 -15.333 19.417 7.368 1.00 0.00 PRO +ATOM 6067 HB2 SER 428 -14.475 20.341 6.087 1.00 0.00 PRO +ATOM 6068 OG SER 428 -13.686 18.477 6.508 1.00 0.00 PRO +ATOM 6069 HG1 SER 428 -14.008 17.629 6.885 1.00 0.00 PRO +ATOM 6070 C SER 428 -15.163 18.746 3.998 1.00 0.00 PRO +ATOM 6071 O SER 428 -14.811 19.795 3.428 1.00 0.00 PRO +ATOM 6072 N THR 429 -14.974 17.563 3.401 1.00 0.00 PRO +ATOM 6073 HN THR 429 -15.286 16.702 3.844 1.00 0.00 PRO +ATOM 6074 CA THR 429 -14.129 17.431 2.213 1.00 0.00 PRO +ATOM 6075 HA THR 429 -13.385 18.214 2.230 1.00 0.00 PRO +ATOM 6076 CB THR 429 -13.364 16.116 2.140 1.00 0.00 PRO +ATOM 6077 HB THR 429 -12.773 16.063 1.196 1.00 0.00 PRO +ATOM 6078 OG1 THR 429 -14.221 14.983 2.187 1.00 0.00 PRO +ATOM 6079 HG1 THR 429 -14.666 14.985 3.063 1.00 0.00 PRO +ATOM 6080 CG2 THR 429 -12.375 16.026 3.315 1.00 0.00 PRO +ATOM 6081 HG21 THR 429 -12.912 16.025 4.288 1.00 0.00 PRO +ATOM 6082 HG22 THR 429 -11.671 16.883 3.305 1.00 0.00 PRO +ATOM 6083 HG23 THR 429 -11.786 15.085 3.249 1.00 0.00 PRO +ATOM 6084 C THR 429 -14.904 17.632 0.929 1.00 0.00 PRO +ATOM 6085 O THR 429 -14.319 17.765 -0.160 1.00 0.00 PRO +ATOM 6086 N GLY 430 -16.240 17.758 1.021 1.00 0.00 PRO +ATOM 6087 HN GLY 430 -16.678 17.614 1.916 1.00 0.00 PRO +ATOM 6088 CA GLY 430 -17.099 18.153 -0.091 1.00 0.00 PRO +ATOM 6089 HA1 GLY 430 -18.118 17.954 0.201 1.00 0.00 PRO +ATOM 6090 HA2 GLY 430 -16.801 17.624 -0.982 1.00 0.00 PRO +ATOM 6091 C GLY 430 -17.021 19.623 -0.365 1.00 0.00 PRO +ATOM 6092 O GLY 430 -17.146 20.075 -1.511 1.00 0.00 PRO +ATOM 6093 N ASN 431 -16.801 20.413 0.694 1.00 0.00 PRO +ATOM 6094 HN ASN 431 -16.650 19.987 1.584 1.00 0.00 PRO +ATOM 6095 CA ASN 431 -16.760 21.860 0.667 1.00 0.00 PRO +ATOM 6096 HA ASN 431 -17.708 22.144 0.233 1.00 0.00 PRO +ATOM 6097 CB ASN 431 -16.677 22.443 2.105 1.00 0.00 PRO +ATOM 6098 HB1 ASN 431 -16.700 23.552 2.075 1.00 0.00 PRO +ATOM 6099 HB2 ASN 431 -15.734 22.119 2.588 1.00 0.00 PRO +ATOM 6100 CG ASN 431 -17.890 21.995 2.924 1.00 0.00 PRO +ATOM 6101 OD1 ASN 431 -19.020 21.926 2.447 1.00 0.00 PRO +ATOM 6102 ND2 ASN 431 -17.661 21.655 4.208 1.00 0.00 PRO +ATOM 6103 HD21 ASN 431 -18.440 21.253 4.711 1.00 0.00 PRO +ATOM 6104 HD22 ASN 431 -16.751 21.707 4.585 1.00 0.00 PRO +ATOM 6105 C ASN 431 -15.641 22.407 -0.236 1.00 0.00 PRO +ATOM 6106 O ASN 431 -14.598 21.738 -0.381 1.00 0.00 PRO +ATOM 6107 N PRO 432 -15.820 23.549 -0.911 1.00 0.00 PRO +ATOM 6108 CD PRO 432 -16.998 24.419 -0.758 1.00 0.00 PRO +ATOM 6109 HD1 PRO 432 -16.958 24.910 0.241 1.00 0.00 PRO +ATOM 6110 HD2 PRO 432 -17.952 23.862 -0.877 1.00 0.00 PRO +ATOM 6111 CA PRO 432 -14.864 24.140 -1.845 1.00 0.00 PRO +ATOM 6112 HA PRO 432 -14.974 23.564 -2.753 1.00 0.00 PRO +ATOM 6113 CB PRO 432 -15.347 25.585 -2.027 1.00 0.00 PRO +ATOM 6114 HB1 PRO 432 -15.054 26.012 -3.006 1.00 0.00 PRO +ATOM 6115 HB2 PRO 432 -14.945 26.231 -1.210 1.00 0.00 PRO +ATOM 6116 CG PRO 432 -16.861 25.471 -1.863 1.00 0.00 PRO +ATOM 6117 HG1 PRO 432 -17.335 26.434 -1.583 1.00 0.00 PRO +ATOM 6118 HG2 PRO 432 -17.321 25.083 -2.799 1.00 0.00 PRO +ATOM 6119 C PRO 432 -13.384 24.071 -1.508 1.00 0.00 PRO +ATOM 6120 O PRO 432 -12.971 24.361 -0.391 1.00 0.00 PRO +ATOM 6121 N SER 433 -12.553 23.689 -2.494 1.00 0.00 PRO +ATOM 6122 HN SER 433 -12.913 23.428 -3.383 1.00 0.00 PRO +ATOM 6123 CA SER 433 -11.108 23.792 -2.389 1.00 0.00 PRO +ATOM 6124 HA SER 433 -10.806 23.324 -1.462 1.00 0.00 PRO +ATOM 6125 CB SER 433 -10.391 23.061 -3.543 1.00 0.00 PRO +ATOM 6126 HB1 SER 433 -9.287 23.131 -3.397 1.00 0.00 PRO +ATOM 6127 HB2 SER 433 -10.643 23.550 -4.513 1.00 0.00 PRO +ATOM 6128 OG SER 433 -10.784 21.685 -3.602 1.00 0.00 PRO +ATOM 6129 HG1 SER 433 -10.177 21.307 -4.255 1.00 0.00 PRO +ATOM 6130 C SER 433 -10.601 25.222 -2.349 1.00 0.00 PRO +ATOM 6131 O SER 433 -11.169 26.103 -3.025 1.00 0.00 PRO +ATOM 6132 N GLY 434 -9.519 25.491 -1.606 1.00 0.00 PRO +ATOM 6133 HN GLY 434 -9.031 24.759 -1.116 1.00 0.00 PRO +ATOM 6134 CA GLY 434 -8.861 26.788 -1.527 1.00 0.00 PRO +ATOM 6135 HA1 GLY 434 -9.182 27.268 -0.613 1.00 0.00 PRO +ATOM 6136 HA2 GLY 434 -9.096 27.367 -2.410 1.00 0.00 PRO +ATOM 6137 C GLY 434 -7.329 26.609 -1.489 1.00 0.00 PRO +ATOM 6138 OT1 GLY 434 -6.790 25.853 -2.343 1.00 0.00 PRO +ATOM 6139 OT2 GLY 434 -6.658 27.228 -0.616 1.00 0.00 PRO +ATOM 6140 C1 BGLC 1 -7.057 -14.261 1.889 1.00 0.00 HET +ATOM 6141 H1 BGLC 1 -6.905 -14.342 2.994 1.00 0.00 HET +ATOM 6142 O1 BGLC 1 -7.529 -15.489 1.392 1.00 0.00 HET +ATOM 6143 HO1 BGLC 1 -6.909 -16.131 1.751 1.00 0.00 HET +ATOM 6144 C5 BGLC 1 -7.626 -12.012 2.244 1.00 0.00 HET +ATOM 6145 H5 BGLC 1 -7.455 -12.220 3.330 1.00 0.00 HET +ATOM 6146 O5 BGLC 1 -7.991 -13.235 1.575 1.00 0.00 HET +ATOM 6147 C2 BGLC 1 -5.758 -13.890 1.191 1.00 0.00 HET +ATOM 6148 H2 BGLC 1 -5.996 -13.783 0.108 1.00 0.00 HET +ATOM 6149 O2 BGLC 1 -4.734 -14.900 1.288 1.00 0.00 HET +ATOM 6150 HO2 BGLC 1 -3.952 -14.498 0.903 1.00 0.00 HET +ATOM 6151 C3 BGLC 1 -5.238 -12.549 1.673 1.00 0.00 HET +ATOM 6152 H3 BGLC 1 -4.902 -12.673 2.732 1.00 0.00 HET +ATOM 6153 O3 BGLC 1 -4.106 -12.150 0.893 1.00 0.00 HET +ATOM 6154 HO3 BGLC 1 -3.740 -11.338 1.282 1.00 0.00 HET +ATOM 6155 C4 BGLC 1 -6.316 -11.483 1.663 1.00 0.00 HET +ATOM 6156 H4 BGLC 1 -6.526 -11.156 0.619 1.00 0.00 HET +ATOM 6157 O4 BGLC 1 -5.904 -10.375 2.468 1.00 0.00 HET +ATOM 6158 C6 BGLC 1 -8.797 -11.049 2.184 1.00 0.00 HET +ATOM 6159 H61 BGLC 1 -8.547 -10.112 2.736 1.00 0.00 HET +ATOM 6160 H62 BGLC 1 -9.666 -11.503 2.715 1.00 0.00 HET +ATOM 6161 O6 BGLC 1 -9.218 -10.717 0.851 1.00 0.00 HET +ATOM 6162 HO6 BGLC 1 -9.900 -10.025 0.963 1.00 0.00 HET +ATOM 6163 C1 BGLC 2 -5.227 -9.332 1.808 1.00 0.00 HET +ATOM 6164 H1 BGLC 2 -5.553 -9.258 0.748 1.00 0.00 HET +ATOM 6165 C5 BGLC 2 -3.093 -8.501 1.195 1.00 0.00 HET +ATOM 6166 H5 BGLC 2 -3.496 -8.433 0.156 1.00 0.00 HET +ATOM 6167 O5 BGLC 2 -3.809 -9.531 1.898 1.00 0.00 HET +ATOM 6168 C2 BGLC 2 -5.559 -8.035 2.516 1.00 0.00 HET +ATOM 6169 H2 BGLC 2 -5.211 -8.115 3.574 1.00 0.00 HET +ATOM 6170 O2 BGLC 2 -6.978 -7.830 2.541 1.00 0.00 HET +ATOM 6171 HO2 BGLC 2 -7.274 -7.893 3.465 1.00 0.00 HET +ATOM 6172 C3 BGLC 2 -4.810 -6.871 1.875 1.00 0.00 HET +ATOM 6173 H3 BGLC 2 -5.161 -6.785 0.821 1.00 0.00 HET +ATOM 6174 O3 BGLC 2 -5.124 -5.656 2.546 1.00 0.00 HET +ATOM 6175 HO3 BGLC 2 -4.839 -4.825 2.132 1.00 0.00 HET +ATOM 6176 C4 BGLC 2 -3.320 -7.152 1.879 1.00 0.00 HET +ATOM 6177 H4 BGLC 2 -2.952 -7.206 2.931 1.00 0.00 HET +ATOM 6178 O4 BGLC 2 -2.571 -6.174 1.146 1.00 0.00 HET +ATOM 6179 C6 BGLC 2 -1.638 -8.915 1.077 1.00 0.00 HET +ATOM 6180 H61 BGLC 2 -1.163 -8.857 2.077 1.00 0.00 HET +ATOM 6181 H62 BGLC 2 -1.091 -8.209 0.409 1.00 0.00 HET +ATOM 6182 O6 BGLC 2 -1.493 -10.254 0.585 1.00 0.00 HET +ATOM 6183 HO6 BGLC 2 -1.693 -10.265 -0.361 1.00 0.00 HET +ATOM 6184 C1 BGLC 3 -2.037 -5.067 1.866 1.00 0.00 HET +ATOM 6185 H1 BGLC 3 -2.699 -4.816 2.728 1.00 0.00 HET +ATOM 6186 C5 BGLC 3 -0.976 -3.087 0.892 1.00 0.00 HET +ATOM 6187 H5 BGLC 3 -0.887 -2.476 1.824 1.00 0.00 HET +ATOM 6188 O5 BGLC 3 -2.119 -3.947 0.974 1.00 0.00 HET +ATOM 6189 C2 BGLC 3 -0.660 -5.483 2.425 1.00 0.00 HET +ATOM 6190 H2 BGLC 3 -0.440 -6.473 1.955 1.00 0.00 HET +ATOM 6191 O2 BGLC 3 -0.695 -5.734 3.835 1.00 0.00 HET +ATOM 6192 HO2 BGLC 3 -0.784 -4.880 4.323 1.00 0.00 HET +ATOM 6193 C3 BGLC 3 0.524 -4.606 2.044 1.00 0.00 HET +ATOM 6194 H3 BGLC 3 0.639 -3.796 2.807 1.00 0.00 HET +ATOM 6195 O3 BGLC 3 1.738 -5.368 2.037 1.00 0.00 HET +ATOM 6196 HO3 BGLC 3 2.325 -5.034 2.747 1.00 0.00 HET +ATOM 6197 C4 BGLC 3 0.257 -3.940 0.716 1.00 0.00 HET +ATOM 6198 H4 BGLC 3 0.032 -4.728 -0.043 1.00 0.00 HET +ATOM 6199 O4 BGLC 3 1.340 -3.109 0.267 1.00 0.00 HET +ATOM 6200 C6 BGLC 3 -1.251 -2.131 -0.259 1.00 0.00 HET +ATOM 6201 H61 BGLC 3 -0.359 -1.508 -0.469 1.00 0.00 HET +ATOM 6202 H62 BGLC 3 -2.075 -1.445 0.049 1.00 0.00 HET +ATOM 6203 O6 BGLC 3 -1.653 -2.816 -1.452 1.00 0.00 HET +ATOM 6204 HO6 BGLC 3 -2.433 -3.319 -1.160 1.00 0.00 HET +ATOM 6205 C1 BGLC 4 1.965 -3.637 -0.872 1.00 0.00 HET +ATOM 6206 H1 BGLC 4 1.210 -3.896 -1.650 1.00 0.00 HET +ATOM 6207 C5 BGLC 4 3.270 -5.479 -1.623 1.00 0.00 HET +ATOM 6208 H5 BGLC 4 2.444 -5.731 -2.324 1.00 0.00 HET +ATOM 6209 O5 BGLC 4 2.770 -4.756 -0.502 1.00 0.00 HET +ATOM 6210 C2 BGLC 4 2.946 -2.619 -1.399 1.00 0.00 HET +ATOM 6211 H2 BGLC 4 3.685 -2.430 -0.585 1.00 0.00 HET +ATOM 6212 O2 BGLC 4 2.324 -1.362 -1.719 1.00 0.00 HET +ATOM 6213 HO2 BGLC 4 2.107 -0.930 -0.871 1.00 0.00 HET +ATOM 6214 C3 BGLC 4 3.682 -3.211 -2.591 1.00 0.00 HET +ATOM 6215 H3 BGLC 4 2.914 -3.357 -3.388 1.00 0.00 HET +ATOM 6216 O3 BGLC 4 4.690 -2.337 -3.103 1.00 0.00 HET +ATOM 6217 HO3 BGLC 4 4.852 -2.622 -4.012 1.00 0.00 HET +ATOM 6218 C4 BGLC 4 4.282 -4.572 -2.299 1.00 0.00 HET +ATOM 6219 H4 BGLC 4 5.138 -4.441 -1.595 1.00 0.00 HET +ATOM 6220 O4 BGLC 4 4.721 -5.128 -3.546 1.00 0.00 HET +ATOM 6221 C6 BGLC 4 3.849 -6.755 -1.052 1.00 0.00 HET +ATOM 6222 H61 BGLC 4 4.605 -6.510 -0.269 1.00 0.00 HET +ATOM 6223 H62 BGLC 4 4.353 -7.337 -1.851 1.00 0.00 HET +ATOM 6224 O6 BGLC 4 2.842 -7.579 -0.460 1.00 0.00 HET +ATOM 6225 HO6 BGLC 4 2.434 -7.071 0.260 1.00 0.00 HET +ATOM 6226 C1 BGLC 5 6.039 -5.612 -3.575 1.00 0.00 HET +ATOM 6227 H1 BGLC 5 6.135 -6.484 -2.889 1.00 0.00 HET +ATOM 6228 C5 BGLC 5 8.314 -5.090 -3.209 1.00 0.00 HET +ATOM 6229 H5 BGLC 5 8.354 -6.091 -2.722 1.00 0.00 HET +ATOM 6230 O5 BGLC 5 6.971 -4.589 -3.188 1.00 0.00 HET +ATOM 6231 C2 BGLC 5 6.315 -6.050 -5.014 1.00 0.00 HET +ATOM 6232 H2 BGLC 5 6.073 -5.176 -5.668 1.00 0.00 HET +ATOM 6233 O2 BGLC 5 5.488 -7.153 -5.413 1.00 0.00 HET +ATOM 6234 HO2 BGLC 5 4.855 -6.896 -6.107 1.00 0.00 HET +ATOM 6235 C3 BGLC 5 7.787 -6.384 -5.214 1.00 0.00 HET +ATOM 6236 H3 BGLC 5 8.011 -7.308 -4.630 1.00 0.00 HET +ATOM 6237 O3 BGLC 5 8.091 -6.679 -6.579 1.00 0.00 HET +ATOM 6238 HO3 BGLC 5 7.487 -7.359 -6.886 1.00 0.00 HET +ATOM 6239 C4 BGLC 5 8.662 -5.274 -4.675 1.00 0.00 HET +ATOM 6240 H4 BGLC 5 8.424 -4.337 -5.236 1.00 0.00 HET +ATOM 6241 O4 BGLC 5 10.058 -5.584 -4.794 1.00 0.00 HET +ATOM 6242 C6 BGLC 5 9.246 -4.185 -2.423 1.00 0.00 HET +ATOM 6243 H61 BGLC 5 9.190 -3.151 -2.826 1.00 0.00 HET +ATOM 6244 H62 BGLC 5 10.290 -4.546 -2.552 1.00 0.00 HET +ATOM 6245 O6 BGLC 5 8.948 -4.165 -1.017 1.00 0.00 HET +ATOM 6246 HO6 BGLC 5 9.040 -5.070 -0.644 1.00 0.00 HET +ATOM 6247 C1 BGLC 6 10.796 -4.538 -5.370 1.00 0.00 HET +ATOM 6248 H1 BGLC 6 10.515 -3.573 -4.890 1.00 0.00 HET +ATOM 6249 C5 BGLC 6 11.159 -3.313 -7.355 1.00 0.00 HET +ATOM 6250 H5 BGLC 6 10.800 -2.433 -6.771 1.00 0.00 HET +ATOM 6251 O5 BGLC 6 10.584 -4.490 -6.783 1.00 0.00 HET +ATOM 6252 C2 BGLC 6 12.284 -4.789 -5.190 1.00 0.00 HET +ATOM 6253 H2 BGLC 6 12.533 -5.713 -5.767 1.00 0.00 HET +ATOM 6254 O2 BGLC 6 12.646 -5.006 -3.821 1.00 0.00 HET +ATOM 6255 HO2 BGLC 6 13.261 -5.747 -3.795 1.00 0.00 HET +ATOM 6256 C3 BGLC 6 13.069 -3.635 -5.783 1.00 0.00 HET +ATOM 6257 H3 BGLC 6 12.794 -2.717 -5.208 1.00 0.00 HET +ATOM 6258 O3 BGLC 6 14.486 -3.806 -5.664 1.00 0.00 HET +ATOM 6259 HO3 BGLC 6 14.889 -2.981 -5.975 1.00 0.00 HET +ATOM 6260 C4 BGLC 6 12.668 -3.410 -7.220 1.00 0.00 HET +ATOM 6261 H4 BGLC 6 13.012 -4.270 -7.840 1.00 0.00 HET +ATOM 6262 O4 BGLC 6 13.196 -2.175 -7.698 1.00 0.00 HET +ATOM 6263 C6 BGLC 6 10.644 -3.128 -8.774 1.00 0.00 HET +ATOM 6264 H61 BGLC 6 10.759 -2.062 -9.076 1.00 0.00 HET +ATOM 6265 H62 BGLC 6 9.553 -3.361 -8.793 1.00 0.00 HET +ATOM 6266 O6 BGLC 6 11.319 -3.945 -9.737 1.00 0.00 HET +ATOM 6267 HO6 BGLC 6 12.117 -3.504 -10.043 1.00 0.00 HET +ATOM 6268 C1 BGLC 7 14.394 -2.240 -8.422 1.00 0.00 HET +ATOM 6269 H1 BGLC 7 14.460 -3.176 -9.022 1.00 0.00 HET +ATOM 6270 C5 BGLC 7 16.755 -2.151 -8.244 1.00 0.00 HET +ATOM 6271 H5 BGLC 7 16.777 -3.050 -8.906 1.00 0.00 HET +ATOM 6272 O5 BGLC 7 15.513 -2.099 -7.535 1.00 0.00 HET +ATOM 6273 C2 BGLC 7 14.330 -1.031 -9.328 1.00 0.00 HET +ATOM 6274 H2 BGLC 7 14.073 -0.152 -8.686 1.00 0.00 HET +ATOM 6275 O2 BGLC 7 13.293 -1.202 -10.307 1.00 0.00 HET +ATOM 6276 HO2 BGLC 7 12.637 -0.483 -10.255 1.00 0.00 HET +ATOM 6277 C3 BGLC 7 15.655 -0.734 -10.005 1.00 0.00 HET +ATOM 6278 H3 BGLC 7 15.767 -1.468 -10.843 1.00 0.00 HET +ATOM 6279 O3 BGLC 7 15.641 0.584 -10.551 1.00 0.00 HET +ATOM 6280 HO3 BGLC 7 16.292 0.643 -11.262 1.00 0.00 HET +ATOM 6281 C4 BGLC 7 16.852 -0.899 -9.099 1.00 0.00 HET +ATOM 6282 H4 BGLC 7 16.918 -0.021 -8.413 1.00 0.00 HET +ATOM 6283 O4 BGLC 7 18.036 -1.018 -9.897 1.00 0.00 HET +ATOM 6284 C6 BGLC 7 17.893 -2.248 -7.238 1.00 0.00 HET +ATOM 6285 H61 BGLC 7 17.795 -1.400 -6.522 1.00 0.00 HET +ATOM 6286 H62 BGLC 7 18.867 -2.145 -7.769 1.00 0.00 HET +ATOM 6287 O6 BGLC 7 17.911 -3.473 -6.490 1.00 0.00 HET +ATOM 6288 HO6 BGLC 7 18.114 -4.209 -7.084 1.00 0.00 HET +ATOM 6289 C1 BGLC 8 18.905 0.089 -9.875 1.00 0.00 HET +ATOM 6290 H1 BGLC 8 19.091 0.413 -8.825 1.00 0.00 HET +ATOM 6291 C5 BGLC 8 19.214 2.320 -10.609 1.00 0.00 HET +ATOM 6292 H5 BGLC 8 19.419 2.553 -9.538 1.00 0.00 HET +ATOM 6293 O5 BGLC 8 18.379 1.155 -10.673 1.00 0.00 HET +ATOM 6294 C2 BGLC 8 20.205 -0.353 -10.525 1.00 0.00 HET +ATOM 6295 H2 BGLC 8 19.950 -0.709 -11.553 1.00 0.00 HET +ATOM 6296 O2 BGLC 8 20.795 -1.448 -9.812 1.00 0.00 HET +ATOM 6297 HO2 BGLC 8 21.376 -1.931 -10.416 1.00 0.00 HET +ATOM 6298 C3 BGLC 8 21.182 0.805 -10.664 1.00 0.00 HET +ATOM 6299 H3 BGLC 8 21.504 1.099 -9.636 1.00 0.00 HET +ATOM 6300 O3 BGLC 8 22.350 0.416 -11.389 1.00 0.00 HET +ATOM 6301 HO3 BGLC 8 22.991 1.137 -11.322 1.00 0.00 HET +ATOM 6302 C4 BGLC 8 20.525 2.011 -11.308 1.00 0.00 HET +ATOM 6303 H4 BGLC 8 20.311 1.760 -12.376 1.00 0.00 HET +ATOM 6304 O4 BGLC 8 21.380 3.149 -11.272 1.00 0.00 HET +ATOM 6305 HO4 BGLC 8 21.138 3.747 -11.993 1.00 0.00 HET +ATOM 6306 C6 BGLC 8 18.470 3.511 -11.179 1.00 0.00 HET +ATOM 6307 H61 BGLC 8 19.012 4.444 -10.896 1.00 0.00 HET +ATOM 6308 H62 BGLC 8 17.454 3.573 -10.729 1.00 0.00 HET +ATOM 6309 O6 BGLC 8 18.378 3.468 -12.607 1.00 0.00 HET +ATOM 6310 HO6 BGLC 8 17.735 2.794 -12.895 1.00 0.00 HET +ATOM 6311 OH2 TIP3 1 -31.585 -33.719 -36.287 1.00 0.00 WAT +ATOM 6312 H1 TIP3 1 -31.615 -32.747 -36.203 1.00 0.00 WAT +ATOM 6313 H2 TIP3 1 -32.365 -33.868 -36.836 1.00 0.00 WAT +ATOM 6314 OH2 TIP3 2 -32.762 -34.228 -33.205 1.00 0.00 WAT +ATOM 6315 H1 TIP3 2 -32.764 -34.771 -32.399 1.00 0.00 WAT +ATOM 6316 H2 TIP3 2 -33.032 -34.872 -33.874 1.00 0.00 WAT +ATOM 6317 OH2 TIP3 3 -40.277 -34.631 -31.562 1.00 0.00 WAT +ATOM 6318 H1 TIP3 3 -40.327 -35.368 -30.925 1.00 0.00 WAT +ATOM 6319 H2 TIP3 3 -39.590 -34.083 -31.158 1.00 0.00 WAT +ATOM 6320 OH2 TIP3 4 -29.281 -31.664 -34.525 1.00 0.00 WAT +ATOM 6321 H1 TIP3 4 -29.541 -32.334 -33.871 1.00 0.00 WAT +ATOM 6322 H2 TIP3 4 -28.393 -31.414 -34.243 1.00 0.00 WAT +ATOM 6323 OH2 TIP3 5 -39.590 -30.011 -33.075 1.00 0.00 WAT +ATOM 6324 H1 TIP3 5 -39.880 -30.910 -33.315 1.00 0.00 WAT +ATOM 6325 H2 TIP3 5 -38.667 -30.171 -32.832 1.00 0.00 WAT +ATOM 6326 OH2 TIP3 6 -42.133 -36.145 -38.719 1.00 0.00 WAT +ATOM 6327 H1 TIP3 6 -42.314 -35.329 -38.229 1.00 0.00 WAT +ATOM 6328 H2 TIP3 6 -43.028 -36.406 -38.969 1.00 0.00 WAT +ATOM 6329 OH2 TIP3 7 -42.056 -34.290 -36.043 1.00 0.00 WAT +ATOM 6330 H1 TIP3 7 -41.879 -34.885 -35.295 1.00 0.00 WAT +ATOM 6331 H2 TIP3 7 -41.212 -33.838 -36.153 1.00 0.00 WAT +ATOM 6332 OH2 TIP3 8 -31.982 -27.379 -33.750 1.00 0.00 WAT +ATOM 6333 H1 TIP3 8 -32.200 -26.865 -34.194 1.00 0.00 WAT +ATOM 6334 H2 TIP3 8 -32.869 -27.566 -33.287 1.00 0.00 WAT +ATOM 6335 OH2 TIP3 9 -34.253 -31.706 -32.656 1.00 0.00 WAT +ATOM 6336 H1 TIP3 9 -33.923 -32.445 -33.194 1.00 0.00 WAT +ATOM 6337 H2 TIP3 9 -33.453 -31.555 -32.113 1.00 0.00 WAT +ATOM 6338 OH2 TIP3 10 -25.716 -40.157 -32.075 1.00 0.00 WAT +ATOM 6339 H1 TIP3 10 -25.371 -39.737 -31.269 1.00 0.00 WAT +ATOM 6340 H2 TIP3 10 -25.046 -39.870 -32.722 1.00 0.00 WAT +ATOM 6341 OH2 TIP3 11 -30.980 -37.399 -32.120 1.00 0.00 WAT +ATOM 6342 H1 TIP3 11 -30.776 -38.350 -32.094 1.00 0.00 WAT +ATOM 6343 H2 TIP3 11 -31.064 -37.251 -33.075 1.00 0.00 WAT +ATOM 6344 OH2 TIP3 12 -38.025 -39.413 -35.019 1.00 0.00 WAT +ATOM 6345 H1 TIP3 12 -37.837 -38.567 -35.473 1.00 0.00 WAT +ATOM 6346 H2 TIP3 12 -38.332 -39.951 -35.773 1.00 0.00 WAT +ATOM 6347 OH2 TIP3 13 -30.129 -39.228 -36.710 1.00 0.00 WAT +ATOM 6348 H1 TIP3 13 -29.534 -39.664 -36.066 1.00 0.00 WAT +ATOM 6349 H2 TIP3 13 -29.488 -38.782 -37.282 1.00 0.00 WAT +ATOM 6350 OH2 TIP3 14 -41.386 -36.627 -34.514 1.00 0.00 WAT +ATOM 6351 H1 TIP3 14 -40.803 -37.052 -33.861 1.00 0.00 WAT +ATOM 6352 H2 TIP3 14 -41.202 -37.167 -35.301 1.00 0.00 WAT +ATOM 6353 OH2 TIP3 15 -35.925 -35.257 -35.085 1.00 0.00 WAT +ATOM 6354 H1 TIP3 15 -35.214 -35.801 -34.693 1.00 0.00 WAT +ATOM 6355 H2 TIP3 15 -36.429 -35.933 -35.574 1.00 0.00 WAT +ATOM 6356 OH2 TIP3 16 -24.775 -38.484 -29.435 1.00 0.00 WAT +ATOM 6357 H1 TIP3 16 -25.542 -37.975 -29.745 1.00 0.00 WAT +ATOM 6358 H2 TIP3 16 -25.122 -38.885 -28.630 1.00 0.00 WAT +ATOM 6359 OH2 TIP3 17 -39.174 -40.517 -30.825 1.00 0.00 WAT +ATOM 6360 H1 TIP3 17 -39.573 -40.078 -31.592 1.00 0.00 WAT +ATOM 6361 H2 TIP3 17 -39.865 -40.348 -30.154 1.00 0.00 WAT +ATOM 6362 OH2 TIP3 18 -31.868 -31.112 -37.449 1.00 0.00 WAT +ATOM 6363 H1 TIP3 18 -31.978 -31.215 -38.402 1.00 0.00 WAT +ATOM 6364 H2 TIP3 18 -32.203 -30.223 -37.292 1.00 0.00 WAT +ATOM 6365 OH2 TIP3 19 -36.264 -32.700 -30.779 1.00 0.00 WAT +ATOM 6366 H1 TIP3 19 -36.985 -32.098 -30.498 1.00 0.00 WAT +ATOM 6367 H2 TIP3 19 -35.627 -32.084 -31.185 1.00 0.00 WAT +ATOM 6368 OH2 TIP3 20 -28.247 -40.121 -34.675 1.00 0.00 WAT +ATOM 6369 H1 TIP3 20 -28.710 -40.608 -33.982 1.00 0.00 WAT +ATOM 6370 H2 TIP3 20 -27.714 -39.502 -34.148 1.00 0.00 WAT +ATOM 6371 OH2 TIP3 21 -39.585 -38.509 -32.949 1.00 0.00 WAT +ATOM 6372 H1 TIP3 21 -38.937 -37.929 -32.498 1.00 0.00 WAT +ATOM 6373 H2 TIP3 21 -39.021 -38.879 -33.664 1.00 0.00 WAT +ATOM 6374 OH2 TIP3 22 -38.283 -30.836 -30.053 1.00 0.00 WAT +ATOM 6375 H1 TIP3 22 -38.294 -29.903 -30.340 1.00 0.00 WAT +ATOM 6376 H2 TIP3 22 -39.160 -30.889 -29.628 1.00 0.00 WAT +ATOM 6377 OH2 TIP3 23 -41.826 -31.196 -39.166 1.00 0.00 WAT +ATOM 6378 H1 TIP3 23 -42.606 -30.999 -39.730 1.00 0.00 WAT +ATOM 6379 H2 TIP3 23 -41.956 -30.584 -38.425 1.00 0.00 WAT +ATOM 6380 OH2 TIP3 24 -28.435 -29.598 -32.132 1.00 0.00 WAT +ATOM 6381 H1 TIP3 24 -29.380 -29.695 -32.358 1.00 0.00 WAT +ATOM 6382 H2 TIP3 24 -28.206 -28.852 -32.706 1.00 0.00 WAT +ATOM 6383 OH2 TIP3 25 -28.083 -41.099 -30.657 1.00 0.00 WAT +ATOM 6384 H1 TIP3 25 -28.885 -40.772 -31.096 1.00 0.00 WAT +ATOM 6385 H2 TIP3 25 -27.416 -40.968 -31.356 1.00 0.00 WAT +ATOM 6386 OH2 TIP3 26 -34.967 43.818 -33.589 1.00 0.00 WAT +ATOM 6387 H1 TIP3 26 -35.004 42.855 -33.551 1.00 0.00 WAT +ATOM 6388 H2 TIP3 26 -35.866 44.106 -33.338 1.00 0.00 WAT +ATOM 6389 OH2 TIP3 27 -30.096 -26.828 -36.101 1.00 0.00 WAT +ATOM 6390 H1 TIP3 27 -30.683 -27.493 -36.421 1.00 0.00 WAT +ATOM 6391 H2 TIP3 27 -29.422 -26.738 -36.820 1.00 0.00 WAT +ATOM 6392 OH2 TIP3 28 -28.384 -30.716 -36.882 1.00 0.00 WAT +ATOM 6393 H1 TIP3 28 -29.222 -30.509 -36.992 1.00 0.00 WAT +ATOM 6394 H2 TIP3 28 -28.349 -31.521 -36.469 1.00 0.00 WAT +ATOM 6395 OH2 TIP3 29 -27.218 -31.045 -28.713 1.00 0.00 WAT +ATOM 6396 H1 TIP3 29 -27.323 -31.691 -29.434 1.00 0.00 WAT +ATOM 6397 H2 TIP3 29 -27.103 -30.211 -29.206 1.00 0.00 WAT +ATOM 6398 OH2 TIP3 30 -32.923 -34.185 -39.060 1.00 0.00 WAT +ATOM 6399 H1 TIP3 30 -33.585 -33.564 -39.415 1.00 0.00 WAT +ATOM 6400 H2 TIP3 30 -32.194 -34.094 -39.693 1.00 0.00 WAT +ATOM 6401 OH2 TIP3 31 -32.750 -35.941 -42.043 1.00 0.00 WAT +ATOM 6402 H1 TIP3 31 -32.069 -35.621 -41.426 1.00 0.00 WAT +ATOM 6403 H2 TIP3 31 -32.206 -36.547 -42.594 1.00 0.00 WAT +ATOM 6404 OH2 TIP3 32 -25.464 -34.884 -30.768 1.00 0.00 WAT +ATOM 6405 H1 TIP3 32 -26.183 -34.227 -30.683 1.00 0.00 WAT +ATOM 6406 H2 TIP3 32 -24.984 -34.538 -31.545 1.00 0.00 WAT +ATOM 6407 OH2 TIP3 33 -29.548 -34.624 -37.972 1.00 0.00 WAT +ATOM 6408 H1 TIP3 33 -30.193 -34.307 -37.304 1.00 0.00 WAT +ATOM 6409 H2 TIP3 33 -28.830 -34.967 -37.407 1.00 0.00 WAT +ATOM 6410 OH2 TIP3 34 -29.606 -35.622 -29.106 1.00 0.00 WAT +ATOM 6411 H1 TIP3 34 -29.542 -34.821 -28.559 1.00 0.00 WAT +ATOM 6412 H2 TIP3 34 -30.236 -35.297 -29.772 1.00 0.00 WAT +ATOM 6413 OH2 TIP3 35 -37.800 -33.353 -36.181 1.00 0.00 WAT +ATOM 6414 H1 TIP3 35 -38.152 -33.803 -36.972 1.00 0.00 WAT +ATOM 6415 H2 TIP3 35 -37.185 -34.021 -35.826 1.00 0.00 WAT +ATOM 6416 OH2 TIP3 36 -36.437 -29.972 -33.448 1.00 0.00 WAT +ATOM 6417 H1 TIP3 36 -36.575 -30.423 -34.285 1.00 0.00 WAT +ATOM 6418 H2 TIP3 36 -35.663 -30.448 -33.082 1.00 0.00 WAT +ATOM 6419 OH2 TIP3 37 -37.282 -34.532 -32.689 1.00 0.00 WAT +ATOM 6420 H1 TIP3 37 -36.680 -34.525 -33.457 1.00 0.00 WAT +ATOM 6421 H2 TIP3 37 -36.864 -33.894 -32.079 1.00 0.00 WAT +ATOM 6422 OH2 TIP3 38 -31.293 -29.219 -31.966 1.00 0.00 WAT +ATOM 6423 H1 TIP3 38 -31.230 -28.466 -31.341 1.00 0.00 WAT +ATOM 6424 H2 TIP3 38 -31.524 -30.011 -31.506 1.00 0.00 WAT +ATOM 6425 OH2 TIP3 39 -36.423 -30.254 -27.839 1.00 0.00 WAT +ATOM 6426 H1 TIP3 39 -36.926 -29.585 -27.340 1.00 0.00 WAT +ATOM 6427 H2 TIP3 39 -37.070 -30.502 -28.526 1.00 0.00 WAT +ATOM 6428 OH2 TIP3 40 -30.399 -34.656 -40.622 1.00 0.00 WAT +ATOM 6429 H1 TIP3 40 -29.981 -34.528 -39.741 1.00 0.00 WAT +ATOM 6430 H2 TIP3 40 -29.721 -34.252 -41.204 1.00 0.00 WAT +ATOM 6431 OH2 TIP3 41 -39.561 -33.900 -28.676 1.00 0.00 WAT +ATOM 6432 H1 TIP3 41 -39.472 -33.287 -27.924 1.00 0.00 WAT +ATOM 6433 H2 TIP3 41 -40.530 -33.928 -28.782 1.00 0.00 WAT +ATOM 6434 OH2 TIP3 42 -32.896 -27.759 -36.926 1.00 0.00 WAT +ATOM 6435 H1 TIP3 42 -32.847 -28.057 -36.015 1.00 0.00 WAT +ATOM 6436 H2 TIP3 42 -33.769 -27.345 -36.992 1.00 0.00 WAT +ATOM 6437 OH2 TIP3 43 -38.353 -28.105 -27.003 1.00 0.00 WAT +ATOM 6438 H1 TIP3 43 -38.439 -28.043 -27.970 1.00 0.00 WAT +ATOM 6439 H2 TIP3 43 -39.270 -28.259 -26.712 1.00 0.00 WAT +ATOM 6440 OH2 TIP3 44 -27.166 -43.358 -41.277 1.00 0.00 WAT +ATOM 6441 H1 TIP3 44 -27.628 -43.320 -40.427 1.00 0.00 WAT +ATOM 6442 H2 TIP3 44 -26.507 -42.664 -41.137 1.00 0.00 WAT +ATOM 6443 OH2 TIP3 45 -38.926 -34.642 -38.664 1.00 0.00 WAT +ATOM 6444 H1 TIP3 45 -39.194 -33.871 -39.192 1.00 0.00 WAT +ATOM 6445 H2 TIP3 45 -39.632 -35.274 -38.868 1.00 0.00 WAT +ATOM 6446 OH2 TIP3 46 -25.339 -29.008 -43.102 1.00 0.00 WAT +ATOM 6447 H1 TIP3 46 -25.076 -28.112 -42.872 1.00 0.00 WAT +ATOM 6448 H2 TIP3 46 -24.893 -29.533 -42.410 1.00 0.00 WAT +ATOM 6449 OH2 TIP3 47 -42.660 -31.812 -30.103 1.00 0.00 WAT +ATOM 6450 H1 TIP3 47 -42.881 -32.145 -30.988 1.00 0.00 WAT +ATOM 6451 H2 TIP3 47 -43.072 -32.488 -29.536 1.00 0.00 WAT +ATOM 6452 OH2 TIP3 48 -42.811 -29.017 -33.133 1.00 0.00 WAT +ATOM 6453 H1 TIP3 48 -41.961 -29.423 -32.926 1.00 0.00 WAT +ATOM 6454 H2 TIP3 48 -43.008 -28.525 -32.328 1.00 0.00 WAT +ATOM 6455 OH2 TIP3 49 -24.425 -28.424 -27.200 1.00 0.00 WAT +ATOM 6456 H1 TIP3 49 -24.541 -29.376 -27.366 1.00 0.00 WAT +ATOM 6457 H2 TIP3 49 -25.331 -28.178 -26.907 1.00 0.00 WAT +ATOM 6458 OH2 TIP3 50 -33.784 -29.186 -28.405 1.00 0.00 WAT +ATOM 6459 H1 TIP3 50 -33.694 -28.373 -27.864 1.00 0.00 WAT +ATOM 6460 H2 TIP3 50 -34.679 -29.489 -28.159 1.00 0.00 WAT +ATOM 6461 OH2 TIP3 51 -39.725 -26.278 -36.791 1.00 0.00 WAT +ATOM 6462 H1 TIP3 51 -39.538 -26.670 -35.911 1.00 0.00 WAT +ATOM 6463 H2 TIP3 51 -40.526 -26.782 -37.018 1.00 0.00 WAT +ATOM 6464 OH2 TIP3 52 -29.630 -28.569 -38.929 1.00 0.00 WAT +ATOM 6465 H1 TIP3 52 -29.498 -29.329 -39.514 1.00 0.00 WAT +ATOM 6466 H2 TIP3 52 -28.897 -28.708 -38.325 1.00 0.00 WAT +ATOM 6467 OH2 TIP3 53 -32.157 -24.765 -37.673 1.00 0.00 WAT +ATOM 6468 H1 TIP3 53 -32.552 -25.474 -38.119 1.00 0.00 WAT +ATOM 6469 H2 TIP3 53 -31.271 -25.166 -37.430 1.00 0.00 WAT +ATOM 6470 OH2 TIP3 54 -27.632 -37.086 -26.799 1.00 0.00 WAT +ATOM 6471 H1 TIP3 54 -28.136 -36.689 -27.522 1.00 0.00 WAT +ATOM 6472 H2 TIP3 54 -27.557 -38.013 -27.093 1.00 0.00 WAT +ATOM 6473 OH2 TIP3 55 -40.704 -30.414 -28.638 1.00 0.00 WAT +ATOM 6474 H1 TIP3 55 -40.421 -30.972 -27.891 1.00 0.00 WAT +ATOM 6475 H2 TIP3 55 -41.466 -30.905 -29.016 1.00 0.00 WAT +ATOM 6476 OH2 TIP3 56 -37.522 -42.217 -32.729 1.00 0.00 WAT +ATOM 6477 H1 TIP3 56 -38.379 -42.303 -33.171 1.00 0.00 WAT +ATOM 6478 H2 TIP3 56 -37.636 -41.354 -32.304 1.00 0.00 WAT +ATOM 6479 OH2 TIP3 57 -32.911 -42.614 -29.167 1.00 0.00 WAT +ATOM 6480 H1 TIP3 57 -32.698 -43.098 -28.363 1.00 0.00 WAT +ATOM 6481 H2 TIP3 57 -33.859 -42.775 -29.247 1.00 0.00 WAT +ATOM 6482 OH2 TIP3 58 -29.949 -38.633 -28.759 1.00 0.00 WAT +ATOM 6483 H1 TIP3 58 -30.511 -38.749 -27.971 1.00 0.00 WAT +ATOM 6484 H2 TIP3 58 -29.985 -37.674 -28.917 1.00 0.00 WAT +ATOM 6485 OH2 TIP3 59 -28.288 -33.830 -42.476 1.00 0.00 WAT +ATOM 6486 H1 TIP3 59 -28.463 -34.109 -43.382 1.00 0.00 WAT +ATOM 6487 H2 TIP3 59 -27.788 -33.013 -42.622 1.00 0.00 WAT +ATOM 6488 OH2 TIP3 60 -33.287 -39.972 -42.133 1.00 0.00 WAT +ATOM 6489 H1 TIP3 60 -33.843 -39.958 -41.331 1.00 0.00 WAT +ATOM 6490 H2 TIP3 60 -33.776 -40.616 -42.659 1.00 0.00 WAT +ATOM 6491 OH2 TIP3 61 -37.618 -37.146 -31.483 1.00 0.00 WAT +ATOM 6492 H1 TIP3 61 -38.204 -37.031 -30.716 1.00 0.00 WAT +ATOM 6493 H2 TIP3 61 -37.552 -36.235 -31.836 1.00 0.00 WAT +ATOM 6494 OH2 TIP3 62 -37.694 -37.092 -36.591 1.00 0.00 WAT +ATOM 6495 H1 TIP3 62 -38.649 -37.163 -36.770 1.00 0.00 WAT +ATOM 6496 H2 TIP3 62 -37.333 -37.269 -37.483 1.00 0.00 WAT +ATOM 6497 OH2 TIP3 63 -32.073 -36.571 -37.868 1.00 0.00 WAT +ATOM 6498 H1 TIP3 63 -32.452 -35.726 -38.189 1.00 0.00 WAT +ATOM 6499 H2 TIP3 63 -31.349 -36.701 -38.502 1.00 0.00 WAT +ATOM 6500 OH2 TIP3 64 -32.871 -36.323 -26.497 1.00 0.00 WAT +ATOM 6501 H1 TIP3 64 -33.377 -37.064 -26.110 1.00 0.00 WAT +ATOM 6502 H2 TIP3 64 -32.002 -36.425 -26.061 1.00 0.00 WAT +ATOM 6503 OH2 TIP3 65 -31.204 -37.117 -35.053 1.00 0.00 WAT +ATOM 6504 H1 TIP3 65 -31.493 -36.545 -35.789 1.00 0.00 WAT +ATOM 6505 H2 TIP3 65 -31.004 -37.934 -35.553 1.00 0.00 WAT +ATOM 6506 OH2 TIP3 66 -40.260 -36.973 -29.650 1.00 0.00 WAT +ATOM 6507 H1 TIP3 66 -39.953 -36.621 -28.807 1.00 0.00 WAT +ATOM 6508 H2 TIP3 66 -40.522 -37.881 -29.405 1.00 0.00 WAT +ATOM 6509 OH2 TIP3 67 -36.526 -39.612 -43.148 1.00 0.00 WAT +ATOM 6510 H1 TIP3 67 -36.850 -39.866 -42.267 1.00 0.00 WAT +ATOM 6511 H2 TIP3 67 -37.275 -39.075 -43.477 1.00 0.00 WAT +ATOM 6512 OH2 TIP3 68 -43.215 -39.423 -36.012 1.00 0.00 WAT +ATOM 6513 H1 TIP3 68 -43.031 -39.705 -35.095 1.00 0.00 WAT +ATOM 6514 H2 TIP3 68 -42.866 -40.152 -36.533 1.00 0.00 WAT +ATOM 6515 OH2 TIP3 69 -42.064 -38.936 -40.205 1.00 0.00 WAT +ATOM 6516 H1 TIP3 69 -41.474 -38.679 -40.930 1.00 0.00 WAT +ATOM 6517 H2 TIP3 69 -42.889 -38.506 -40.449 1.00 0.00 WAT +ATOM 6518 OH2 TIP3 70 -32.147 -35.438 -30.602 1.00 0.00 WAT +ATOM 6519 H1 TIP3 70 -31.685 -36.161 -31.086 1.00 0.00 WAT +ATOM 6520 H2 TIP3 70 -32.425 -35.893 -29.796 1.00 0.00 WAT +ATOM 6521 OH2 TIP3 71 -34.900 -39.405 -35.597 1.00 0.00 WAT +ATOM 6522 H1 TIP3 71 -35.828 -39.605 -35.392 1.00 0.00 WAT +ATOM 6523 H2 TIP3 71 -34.452 -39.726 -34.796 1.00 0.00 WAT +ATOM 6524 OH2 TIP3 72 -40.398 -38.225 -36.952 1.00 0.00 WAT +ATOM 6525 H1 TIP3 72 -41.146 -38.084 -37.548 1.00 0.00 WAT +ATOM 6526 H2 TIP3 72 -40.025 -39.060 -37.296 1.00 0.00 WAT +ATOM 6527 OH2 TIP3 73 -36.745 -37.861 -39.213 1.00 0.00 WAT +ATOM 6528 H1 TIP3 73 -35.772 -37.844 -39.165 1.00 0.00 WAT +ATOM 6529 H2 TIP3 73 -36.954 -37.274 -39.958 1.00 0.00 WAT +ATOM 6530 OH2 TIP3 74 -30.565 -40.319 -32.559 1.00 0.00 WAT +ATOM 6531 H1 TIP3 74 -31.194 -40.348 -31.808 1.00 0.00 WAT +ATOM 6532 H2 TIP3 74 -31.144 -40.634 -33.273 1.00 0.00 WAT +ATOM 6533 OH2 TIP3 75 -38.138 -36.717 -41.601 1.00 0.00 WAT +ATOM 6534 H1 TIP3 75 -38.754 -37.224 -42.157 1.00 0.00 WAT +ATOM 6535 H2 TIP3 75 -37.383 -36.569 -42.186 1.00 0.00 WAT +ATOM 6536 OH2 TIP3 76 -27.514 -24.565 -25.904 1.00 0.00 WAT +ATOM 6537 H1 TIP3 76 -27.252 -24.115 -26.723 1.00 0.00 WAT +ATOM 6538 H2 TIP3 76 -26.847 -24.237 -25.276 1.00 0.00 WAT +ATOM 6539 OH2 TIP3 77 -39.532 -31.969 -26.470 1.00 0.00 WAT +ATOM 6540 H1 TIP3 77 -38.898 -31.922 -25.722 1.00 0.00 WAT +ATOM 6541 H2 TIP3 77 -40.370 -31.842 -25.975 1.00 0.00 WAT +ATOM 6542 OH2 TIP3 78 -33.884 -36.934 -33.745 1.00 0.00 WAT +ATOM 6543 H1 TIP3 78 -33.167 -37.379 -34.220 1.00 0.00 WAT +ATOM 6544 H2 TIP3 78 -34.050 -37.556 -33.010 1.00 0.00 WAT +ATOM 6545 OH2 TIP3 79 -38.773 -40.596 -37.536 1.00 0.00 WAT +ATOM 6546 H1 TIP3 79 -39.209 -41.456 -37.424 1.00 0.00 WAT +ATOM 6547 H2 TIP3 79 -37.913 -40.853 -37.901 1.00 0.00 WAT +ATOM 6548 OH2 TIP3 80 -34.926 -38.494 -31.488 1.00 0.00 WAT +ATOM 6549 H1 TIP3 80 -35.677 -37.878 -31.486 1.00 0.00 WAT +ATOM 6550 H2 TIP3 80 -34.422 -38.229 -30.692 1.00 0.00 WAT +ATOM 6551 OH2 TIP3 81 -34.775 -32.077 -39.607 1.00 0.00 WAT +ATOM 6552 H1 TIP3 81 -35.534 -32.598 -39.941 1.00 0.00 WAT +ATOM 6553 H2 TIP3 81 -34.946 -32.051 -38.637 1.00 0.00 WAT +ATOM 6554 OH2 TIP3 82 -27.544 -32.941 -30.866 1.00 0.00 WAT +ATOM 6555 H1 TIP3 82 -27.062 -32.385 -31.516 1.00 0.00 WAT +ATOM 6556 H2 TIP3 82 -28.411 -33.052 -31.302 1.00 0.00 WAT +ATOM 6557 OH2 TIP3 83 -30.606 -39.309 -41.893 1.00 0.00 WAT +ATOM 6558 H1 TIP3 83 -31.586 -39.358 -41.863 1.00 0.00 WAT +ATOM 6559 H2 TIP3 83 -30.389 -38.588 -41.266 1.00 0.00 WAT +ATOM 6560 OH2 TIP3 84 -33.165 -32.096 -28.291 1.00 0.00 WAT +ATOM 6561 H1 TIP3 84 -33.411 -32.403 -27.409 1.00 0.00 WAT +ATOM 6562 H2 TIP3 84 -33.438 -31.165 -28.275 1.00 0.00 WAT +ATOM 6563 OH2 TIP3 85 -29.997 -37.503 -39.900 1.00 0.00 WAT +ATOM 6564 H1 TIP3 85 -29.151 -37.649 -39.429 1.00 0.00 WAT +ATOM 6565 H2 TIP3 85 -29.863 -36.616 -40.279 1.00 0.00 WAT +ATOM 6566 OH2 TIP3 86 -39.779 -32.799 -33.913 1.00 0.00 WAT +ATOM 6567 H1 TIP3 86 -39.085 -32.865 -34.591 1.00 0.00 WAT +ATOM 6568 H2 TIP3 86 -39.616 -33.596 -33.380 1.00 0.00 WAT +ATOM 6569 OH2 TIP3 87 -32.343 -30.721 -40.644 1.00 0.00 WAT +ATOM 6570 H1 TIP3 87 -32.656 -29.865 -40.296 1.00 0.00 WAT +ATOM 6571 H2 TIP3 87 -33.089 -31.301 -40.407 1.00 0.00 WAT +ATOM 6572 OH2 TIP3 88 -42.385 -34.259 -28.231 1.00 0.00 WAT +ATOM 6573 H1 TIP3 88 -42.305 -34.920 -27.523 1.00 0.00 WAT +ATOM 6574 H2 TIP3 88 -42.864 -34.762 -28.928 1.00 0.00 WAT +ATOM 6575 OH2 TIP3 89 -35.408 -34.938 -26.531 1.00 0.00 WAT +ATOM 6576 H1 TIP3 89 -35.737 -35.178 -27.414 1.00 0.00 WAT +ATOM 6577 H2 TIP3 89 -34.472 -35.198 -26.613 1.00 0.00 WAT +ATOM 6578 OH2 TIP3 90 -30.884 -29.497 -28.814 1.00 0.00 WAT +ATOM 6579 H1 TIP3 90 -31.852 -29.402 -28.860 1.00 0.00 WAT +ATOM 6580 H2 TIP3 90 -30.700 -29.238 -27.899 1.00 0.00 WAT +ATOM 6581 OH2 TIP3 91 -25.296 -37.363 -40.005 1.00 0.00 WAT +ATOM 6582 H1 TIP3 91 -25.937 -37.557 -40.712 1.00 0.00 WAT +ATOM 6583 H2 TIP3 91 -25.176 -36.410 -40.176 1.00 0.00 WAT +ATOM 6584 OH2 TIP3 92 -24.893 -31.405 -27.241 1.00 0.00 WAT +ATOM 6585 H1 TIP3 92 -25.831 -31.184 -27.425 1.00 0.00 WAT +ATOM 6586 H2 TIP3 92 -24.565 -31.580 -28.144 1.00 0.00 WAT +ATOM 6587 OH2 TIP3 93 -27.247 -28.699 -40.536 1.00 0.00 WAT +ATOM 6588 H1 TIP3 93 -28.101 -28.453 -40.908 1.00 0.00 WAT +ATOM 6589 H2 TIP3 93 -26.632 -28.130 -41.000 1.00 0.00 WAT +ATOM 6590 OH2 TIP3 94 -29.925 -33.588 -32.492 1.00 0.00 WAT +ATOM 6591 H1 TIP3 94 -30.861 -33.721 -32.748 1.00 0.00 WAT +ATOM 6592 H2 TIP3 94 -29.497 -34.316 -32.986 1.00 0.00 WAT +ATOM 6593 OH2 TIP3 95 -37.259 -29.416 -36.634 1.00 0.00 WAT +ATOM 6594 H1 TIP3 95 -36.876 -28.538 -36.558 1.00 0.00 WAT +ATOM 6595 H2 TIP3 95 -38.206 -29.224 -36.718 1.00 0.00 WAT +ATOM 6596 OH2 TIP3 96 -41.487 -34.628 -41.675 1.00 0.00 WAT +ATOM 6597 H1 TIP3 96 -40.781 -34.001 -41.427 1.00 0.00 WAT +ATOM 6598 H2 TIP3 96 -42.219 -34.014 -41.834 1.00 0.00 WAT +ATOM 6599 OH2 TIP3 97 -35.442 -31.702 -36.895 1.00 0.00 WAT +ATOM 6600 H1 TIP3 97 -35.814 -30.817 -36.756 1.00 0.00 WAT +ATOM 6601 H2 TIP3 97 -36.128 -32.256 -36.485 1.00 0.00 WAT +ATOM 6602 OH2 TIP3 98 -35.281 -27.541 -30.555 1.00 0.00 WAT +ATOM 6603 H1 TIP3 98 -34.804 -26.733 -30.778 1.00 0.00 WAT +ATOM 6604 H2 TIP3 98 -34.658 -27.980 -29.952 1.00 0.00 WAT +ATOM 6605 OH2 TIP3 99 -36.706 -26.173 -37.371 1.00 0.00 WAT +ATOM 6606 H1 TIP3 99 -37.649 -26.363 -37.236 1.00 0.00 WAT +ATOM 6607 H2 TIP3 99 -36.523 -25.616 -36.597 1.00 0.00 WAT +ATOM 6608 OH2 TIP3 100 -31.870 -31.739 -30.990 1.00 0.00 WAT +ATOM 6609 H1 TIP3 100 -32.134 -31.998 -30.090 1.00 0.00 WAT +ATOM 6610 H2 TIP3 100 -31.121 -32.330 -31.162 1.00 0.00 WAT +ATOM 6611 OH2 TIP3 101 -30.069 -30.644 -42.352 1.00 0.00 WAT +ATOM 6612 H1 TIP3 101 -29.980 -31.598 -42.465 1.00 0.00 WAT +ATOM 6613 H2 TIP3 101 -30.554 -30.599 -41.510 1.00 0.00 WAT +ATOM 6614 OH2 TIP3 102 -28.919 -27.152 -28.578 1.00 0.00 WAT +ATOM 6615 H1 TIP3 102 -29.668 -27.612 -29.005 1.00 0.00 WAT +ATOM 6616 H2 TIP3 102 -28.825 -26.361 -29.135 1.00 0.00 WAT +ATOM 6617 OH2 TIP3 103 -24.854 -26.017 -41.517 1.00 0.00 WAT +ATOM 6618 H1 TIP3 103 -24.104 -25.386 -41.482 1.00 0.00 WAT +ATOM 6619 H2 TIP3 103 -25.606 -25.401 -41.400 1.00 0.00 WAT +ATOM 6620 OH2 TIP3 104 -41.059 -39.573 -28.892 1.00 0.00 WAT +ATOM 6621 H1 TIP3 104 -41.956 -39.240 -29.063 1.00 0.00 WAT +ATOM 6622 H2 TIP3 104 -41.236 -40.453 -28.487 1.00 0.00 WAT +ATOM 6623 OH2 TIP3 105 -28.807 -31.836 -39.721 1.00 0.00 WAT +ATOM 6624 H1 TIP3 105 -28.871 -32.528 -39.055 1.00 0.00 WAT +ATOM 6625 H2 TIP3 105 -27.851 -31.657 -39.722 1.00 0.00 WAT +ATOM 6626 OH2 TIP3 106 -41.276 -28.004 -30.461 1.00 0.00 WAT +ATOM 6627 H1 TIP3 106 -41.081 -28.942 -30.332 1.00 0.00 WAT +ATOM 6628 H2 TIP3 106 -40.969 -27.644 -29.622 1.00 0.00 WAT +ATOM 6629 OH2 TIP3 107 -35.181 -29.350 -43.194 1.00 0.00 WAT +ATOM 6630 H1 TIP3 107 -34.786 -30.169 -43.538 1.00 0.00 WAT +ATOM 6631 H2 TIP3 107 -35.781 -29.708 -42.510 1.00 0.00 WAT +ATOM 6632 OH2 TIP3 108 -36.650 -29.841 -40.755 1.00 0.00 WAT +ATOM 6633 H1 TIP3 108 -36.159 -30.417 -40.148 1.00 0.00 WAT +ATOM 6634 H2 TIP3 108 -36.431 -28.948 -40.435 1.00 0.00 WAT +ATOM 6635 OH2 TIP3 109 -39.848 -32.473 -40.409 1.00 0.00 WAT +ATOM 6636 H1 TIP3 109 -40.583 -32.079 -39.877 1.00 0.00 WAT +ATOM 6637 H2 TIP3 109 -39.386 -31.657 -40.653 1.00 0.00 WAT +ATOM 6638 OH2 TIP3 110 -32.160 -40.073 -30.262 1.00 0.00 WAT +ATOM 6639 H1 TIP3 110 -31.520 -39.802 -29.587 1.00 0.00 WAT +ATOM 6640 H2 TIP3 110 -32.501 -40.919 -29.916 1.00 0.00 WAT +ATOM 6641 OH2 TIP3 111 -31.367 -40.495 -39.216 1.00 0.00 WAT +ATOM 6642 H1 TIP3 111 -31.178 -39.895 -39.953 1.00 0.00 WAT +ATOM 6643 H2 TIP3 111 -30.998 -40.006 -38.464 1.00 0.00 WAT +ATOM 6644 OH2 TIP3 112 -33.691 -28.210 -40.151 1.00 0.00 WAT +ATOM 6645 H1 TIP3 112 -34.551 -27.759 -40.101 1.00 0.00 WAT +ATOM 6646 H2 TIP3 112 -33.223 -27.681 -40.806 1.00 0.00 WAT +ATOM 6647 OH2 TIP3 113 -34.057 -38.513 -38.130 1.00 0.00 WAT +ATOM 6648 H1 TIP3 113 -33.300 -37.901 -38.008 1.00 0.00 WAT +ATOM 6649 H2 TIP3 113 -34.334 -38.670 -37.204 1.00 0.00 WAT +ATOM 6650 OH2 TIP3 114 -33.704 -37.616 -28.993 1.00 0.00 WAT +ATOM 6651 H1 TIP3 114 -33.606 -37.099 -28.174 1.00 0.00 WAT +ATOM 6652 H2 TIP3 114 -33.123 -38.368 -28.826 1.00 0.00 WAT +ATOM 6653 OH2 TIP3 115 -33.278 -41.713 -37.144 1.00 0.00 WAT +ATOM 6654 H1 TIP3 115 -33.610 -40.970 -36.614 1.00 0.00 WAT +ATOM 6655 H2 TIP3 115 -32.741 -41.256 -37.815 1.00 0.00 WAT +ATOM 6656 OH2 TIP3 116 -36.383 -27.054 -40.199 1.00 0.00 WAT +ATOM 6657 H1 TIP3 116 -36.532 -26.230 -40.686 1.00 0.00 WAT +ATOM 6658 H2 TIP3 116 -36.666 -26.798 -39.301 1.00 0.00 WAT +ATOM 6659 OH2 TIP3 117 -37.746 -40.439 -40.720 1.00 0.00 WAT +ATOM 6660 H1 TIP3 117 -37.775 -39.649 -40.154 1.00 0.00 WAT +ATOM 6661 H2 TIP3 117 -36.902 -40.833 -40.429 1.00 0.00 WAT +ATOM 6662 OH2 TIP3 118 -27.317 -39.619 -28.178 1.00 0.00 WAT +ATOM 6663 H1 TIP3 118 -28.283 -39.529 -28.278 1.00 0.00 WAT +ATOM 6664 H2 TIP3 118 -27.104 -39.889 -29.083 1.00 0.00 WAT +ATOM 6665 OH2 TIP3 119 -28.900 -35.737 -34.086 1.00 0.00 WAT +ATOM 6666 H1 TIP3 119 -29.713 -36.204 -34.355 1.00 0.00 WAT +ATOM 6667 H2 TIP3 119 -28.401 -36.444 -33.617 1.00 0.00 WAT +ATOM 6668 OH2 TIP3 120 -39.312 -29.504 -41.550 1.00 0.00 WAT +ATOM 6669 H1 TIP3 120 -38.452 -29.340 -41.126 1.00 0.00 WAT +ATOM 6670 H2 TIP3 120 -39.027 -29.998 -42.335 1.00 0.00 WAT +ATOM 6671 OH2 TIP3 121 -40.983 -37.295 -42.682 1.00 0.00 WAT +ATOM 6672 H1 TIP3 121 -41.034 -36.401 -42.291 1.00 0.00 WAT +ATOM 6673 H2 TIP3 121 -41.910 -37.505 -42.881 1.00 0.00 WAT +ATOM 6674 OH2 TIP3 122 -27.906 -26.823 -32.690 1.00 0.00 WAT +ATOM 6675 H1 TIP3 122 -27.979 -26.005 -33.216 1.00 0.00 WAT +ATOM 6676 H2 TIP3 122 -26.978 -26.793 -32.422 1.00 0.00 WAT +ATOM 6677 OH2 TIP3 123 -40.796 -42.358 -33.523 1.00 0.00 WAT +ATOM 6678 H1 TIP3 123 -40.621 -42.503 -34.465 1.00 0.00 WAT +ATOM 6679 H2 TIP3 123 -40.984 -43.265 -33.241 1.00 0.00 WAT +ATOM 6680 OH2 TIP3 124 -41.330 -28.747 -37.437 1.00 0.00 WAT +ATOM 6681 H1 TIP3 124 -42.269 -28.503 -37.360 1.00 0.00 WAT +ATOM 6682 H2 TIP3 124 -41.091 -28.411 -38.308 1.00 0.00 WAT +ATOM 6683 OH2 TIP3 125 -42.141 -26.046 -26.233 1.00 0.00 WAT +ATOM 6684 H1 TIP3 125 -41.508 -26.040 -25.491 1.00 0.00 WAT +ATOM 6685 H2 TIP3 125 -42.160 -27.007 -26.375 1.00 0.00 WAT +ATOM 6686 OH2 TIP3 126 -37.281 -26.921 -24.507 1.00 0.00 WAT +ATOM 6687 H1 TIP3 126 -36.578 -27.553 -24.291 1.00 0.00 WAT +ATOM 6688 H2 TIP3 126 -37.502 -27.192 -25.411 1.00 0.00 WAT +ATOM 6689 OH2 TIP3 127 -33.067 -27.542 -43.177 1.00 0.00 WAT +ATOM 6690 H1 TIP3 127 -33.879 -28.094 -43.220 1.00 0.00 WAT +ATOM 6691 H2 TIP3 127 -32.420 -28.197 -43.478 1.00 0.00 WAT +ATOM 6692 OH2 TIP3 128 -30.796 -28.643 -25.915 1.00 0.00 WAT +ATOM 6693 H1 TIP3 128 -31.173 -29.458 -25.538 1.00 0.00 WAT +ATOM 6694 H2 TIP3 128 -30.097 -28.424 -25.271 1.00 0.00 WAT +ATOM 6695 OH2 TIP3 129 -27.914 -22.458 39.010 1.00 0.00 WAT +ATOM 6696 H1 TIP3 129 -28.584 -22.805 39.611 1.00 0.00 WAT +ATOM 6697 H2 TIP3 129 -27.116 -22.495 39.575 1.00 0.00 WAT +ATOM 6698 OH2 TIP3 130 -42.000 -32.014 -25.597 1.00 0.00 WAT +ATOM 6699 H1 TIP3 130 -41.898 -32.883 -26.011 1.00 0.00 WAT +ATOM 6700 H2 TIP3 130 -42.861 -31.722 -25.933 1.00 0.00 WAT +ATOM 6701 OH2 TIP3 131 -37.724 -31.773 -43.110 1.00 0.00 WAT +ATOM 6702 H1 TIP3 131 -37.632 -32.454 -42.428 1.00 0.00 WAT +ATOM 6703 H2 TIP3 131 -37.018 -32.004 -43.729 1.00 0.00 WAT +ATOM 6704 OH2 TIP3 132 -35.397 -32.159 -25.819 1.00 0.00 WAT +ATOM 6705 H1 TIP3 132 -35.688 -31.829 -26.686 1.00 0.00 WAT +ATOM 6706 H2 TIP3 132 -35.308 -33.122 -25.971 1.00 0.00 WAT +ATOM 6707 OH2 TIP3 133 -32.591 -30.765 -43.506 1.00 0.00 WAT +ATOM 6708 H1 TIP3 133 -32.286 -30.584 -42.598 1.00 0.00 WAT +ATOM 6709 H2 TIP3 133 -31.922 -31.402 -43.799 1.00 0.00 WAT +ATOM 6710 OH2 TIP3 134 -30.017 -32.537 -28.449 1.00 0.00 WAT +ATOM 6711 H1 TIP3 134 -29.227 -32.006 -28.627 1.00 0.00 WAT +ATOM 6712 H2 TIP3 134 -30.704 -31.851 -28.449 1.00 0.00 WAT +ATOM 6713 OH2 TIP3 135 -41.354 -35.334 -25.833 1.00 0.00 WAT +ATOM 6714 H1 TIP3 135 -40.531 -35.843 -25.966 1.00 0.00 WAT +ATOM 6715 H2 TIP3 135 -41.213 -34.983 -24.944 1.00 0.00 WAT +ATOM 6716 OH2 TIP3 136 -36.740 -33.831 -40.896 1.00 0.00 WAT +ATOM 6717 H1 TIP3 136 -37.354 -34.291 -40.301 1.00 0.00 WAT +ATOM 6718 H2 TIP3 136 -36.386 -34.568 -41.426 1.00 0.00 WAT +ATOM 6719 OH2 TIP3 137 -37.515 -36.088 -28.572 1.00 0.00 WAT +ATOM 6720 H1 TIP3 137 -38.044 -35.292 -28.380 1.00 0.00 WAT +ATOM 6721 H2 TIP3 137 -36.835 -35.732 -29.174 1.00 0.00 WAT +ATOM 6722 OH2 TIP3 138 -35.539 -35.716 -42.771 1.00 0.00 WAT +ATOM 6723 H1 TIP3 138 -35.472 -36.006 -43.693 1.00 0.00 WAT +ATOM 6724 H2 TIP3 138 -34.594 -35.755 -42.508 1.00 0.00 WAT +ATOM 6725 OH2 TIP3 139 -32.201 -33.381 -25.023 1.00 0.00 WAT +ATOM 6726 H1 TIP3 139 -31.288 -33.554 -25.298 1.00 0.00 WAT +ATOM 6727 H2 TIP3 139 -32.430 -34.211 -24.583 1.00 0.00 WAT +ATOM 6728 OH2 TIP3 140 -36.944 -38.814 -27.449 1.00 0.00 WAT +ATOM 6729 H1 TIP3 140 -36.817 -39.444 -28.177 1.00 0.00 WAT +ATOM 6730 H2 TIP3 140 -37.109 -37.985 -27.932 1.00 0.00 WAT +ATOM 6731 OH2 TIP3 141 -36.514 -40.380 -30.030 1.00 0.00 WAT +ATOM 6732 H1 TIP3 141 -35.990 -39.816 -30.638 1.00 0.00 WAT +ATOM 6733 H2 TIP3 141 -37.429 -40.261 -30.363 1.00 0.00 WAT +ATOM 6734 OH2 TIP3 142 -35.030 -34.885 -29.572 1.00 0.00 WAT +ATOM 6735 H1 TIP3 142 -34.179 -34.965 -30.031 1.00 0.00 WAT +ATOM 6736 H2 TIP3 142 -35.322 -34.001 -29.869 1.00 0.00 WAT +ATOM 6737 OH2 TIP3 143 -30.452 -36.935 -24.800 1.00 0.00 WAT +ATOM 6738 H1 TIP3 143 -30.237 -37.863 -24.618 1.00 0.00 WAT +ATOM 6739 H2 TIP3 143 -29.568 -36.535 -24.820 1.00 0.00 WAT +ATOM 6740 OH2 TIP3 144 -29.473 -34.155 -26.308 1.00 0.00 WAT +ATOM 6741 H1 TIP3 144 -29.813 -33.533 -26.985 1.00 0.00 WAT +ATOM 6742 H2 TIP3 144 -28.572 -34.301 -26.657 1.00 0.00 WAT +ATOM 6743 OH2 TIP3 145 -38.816 -36.913 -25.656 1.00 0.00 WAT +ATOM 6744 H1 TIP3 145 -39.281 -37.768 -25.652 1.00 0.00 WAT +ATOM 6745 H2 TIP3 145 -37.971 -37.154 -26.068 1.00 0.00 WAT +ATOM 6746 OH2 TIP3 146 -36.053 -42.771 -28.786 1.00 0.00 WAT +ATOM 6747 H1 TIP3 146 -35.915 -41.870 -29.146 1.00 0.00 WAT +ATOM 6748 H2 TIP3 146 -36.967 -42.906 -29.062 1.00 0.00 WAT +ATOM 6749 OH2 TIP3 147 -34.570 -38.440 -25.855 1.00 0.00 WAT +ATOM 6750 H1 TIP3 147 -34.867 -38.706 -24.968 1.00 0.00 WAT +ATOM 6751 H2 TIP3 147 -35.382 -38.636 -26.364 1.00 0.00 WAT +ATOM 6752 OH2 TIP3 148 -31.977 -39.453 -26.872 1.00 0.00 WAT +ATOM 6753 H1 TIP3 148 -32.863 -39.311 -26.492 1.00 0.00 WAT +ATOM 6754 H2 TIP3 148 -31.597 -40.100 -26.250 1.00 0.00 WAT +ATOM 6755 OH2 TIP3 149 -30.285 -41.362 -25.197 1.00 0.00 WAT +ATOM 6756 H1 TIP3 149 -30.380 -42.237 -24.800 1.00 0.00 WAT +ATOM 6757 H2 TIP3 149 -30.386 -40.768 -24.434 1.00 0.00 WAT +ATOM 6758 OH2 TIP3 150 -40.040 -39.515 -25.772 1.00 0.00 WAT +ATOM 6759 H1 TIP3 150 -40.225 -40.184 -26.452 1.00 0.00 WAT +ATOM 6760 H2 TIP3 150 -40.390 -39.932 -24.966 1.00 0.00 WAT +ATOM 6761 OH2 TIP3 151 -34.949 -41.466 -24.743 1.00 0.00 WAT +ATOM 6762 H1 TIP3 151 -35.166 -42.289 -25.219 1.00 0.00 WAT +ATOM 6763 H2 TIP3 151 -35.799 -40.998 -24.707 1.00 0.00 WAT +ATOM 6764 OH2 TIP3 152 -35.718 -24.035 -41.556 1.00 0.00 WAT +ATOM 6765 H1 TIP3 152 -34.931 -24.563 -41.758 1.00 0.00 WAT +ATOM 6766 H2 TIP3 152 -36.151 -23.920 -42.419 1.00 0.00 WAT +ATOM 6767 OH2 TIP3 153 -41.888 -30.102 -42.388 1.00 0.00 WAT +ATOM 6768 H1 TIP3 153 -41.047 -29.959 -41.907 1.00 0.00 WAT +ATOM 6769 H2 TIP3 153 -41.773 -30.989 -42.751 1.00 0.00 WAT +ATOM 6770 OH2 TIP3 154 -42.711 -26.904 -35.239 1.00 0.00 WAT +ATOM 6771 H1 TIP3 154 -42.758 -27.798 -34.856 1.00 0.00 WAT +ATOM 6772 H2 TIP3 154 -42.444 -26.402 -34.455 1.00 0.00 WAT +ATOM 6773 OH2 TIP3 155 -25.156 -25.674 -32.193 1.00 0.00 WAT +ATOM 6774 H1 TIP3 155 -24.993 -25.751 -31.237 1.00 0.00 WAT +ATOM 6775 H2 TIP3 155 -24.278 -25.438 -32.519 1.00 0.00 WAT +ATOM 6776 OH2 TIP3 156 -25.257 -26.277 -29.332 1.00 0.00 WAT +ATOM 6777 H1 TIP3 156 -25.775 -27.037 -29.664 1.00 0.00 WAT +ATOM 6778 H2 TIP3 156 -24.709 -26.726 -28.669 1.00 0.00 WAT +ATOM 6779 OH2 TIP3 157 -27.262 -30.847 -25.032 1.00 0.00 WAT +ATOM 6780 H1 TIP3 157 -28.142 -30.768 -24.624 1.00 0.00 WAT +ATOM 6781 H2 TIP3 157 -26.807 -30.047 -24.718 1.00 0.00 WAT +ATOM 6782 OH2 TIP3 158 -25.783 -32.165 -39.387 1.00 0.00 WAT +ATOM 6783 H1 TIP3 158 -24.950 -31.687 -39.221 1.00 0.00 WAT +ATOM 6784 H2 TIP3 158 -25.856 -32.683 -38.564 1.00 0.00 WAT +ATOM 6785 OH2 TIP3 159 -25.431 -33.986 -37.277 1.00 0.00 WAT +ATOM 6786 H1 TIP3 159 -26.059 -34.590 -36.837 1.00 0.00 WAT +ATOM 6787 H2 TIP3 159 -24.714 -33.875 -36.624 1.00 0.00 WAT +ATOM 6788 OH2 TIP3 160 -25.714 -31.496 -32.393 1.00 0.00 WAT +ATOM 6789 H1 TIP3 160 -25.029 -31.970 -32.890 1.00 0.00 WAT +ATOM 6790 H2 TIP3 160 -25.531 -30.570 -32.630 1.00 0.00 WAT +ATOM 6791 OH2 TIP3 161 -26.930 -28.527 -30.077 1.00 0.00 WAT +ATOM 6792 H1 TIP3 161 -27.672 -28.164 -29.562 1.00 0.00 WAT +ATOM 6793 H2 TIP3 161 -27.408 -28.916 -30.844 1.00 0.00 WAT +ATOM 6794 OH2 TIP3 162 -25.163 -34.351 -41.073 1.00 0.00 WAT +ATOM 6795 H1 TIP3 162 -25.694 -33.965 -41.783 1.00 0.00 WAT +ATOM 6796 H2 TIP3 162 -25.305 -33.664 -40.390 1.00 0.00 WAT +ATOM 6797 OH2 TIP3 163 -26.947 -36.956 -42.214 1.00 0.00 WAT +ATOM 6798 H1 TIP3 163 -26.557 -36.210 -42.698 1.00 0.00 WAT +ATOM 6799 H2 TIP3 163 -26.474 -37.702 -42.592 1.00 0.00 WAT +ATOM 6800 OH2 TIP3 164 -27.455 -35.850 -36.476 1.00 0.00 WAT +ATOM 6801 H1 TIP3 164 -27.539 -36.794 -36.684 1.00 0.00 WAT +ATOM 6802 H2 TIP3 164 -27.835 -35.794 -35.576 1.00 0.00 WAT +ATOM 6803 OH2 TIP3 165 -42.567 -33.355 -32.537 1.00 0.00 WAT +ATOM 6804 H1 TIP3 165 -42.221 -33.129 -33.412 1.00 0.00 WAT +ATOM 6805 H2 TIP3 165 -41.773 -33.767 -32.128 1.00 0.00 WAT +ATOM 6806 OH2 TIP3 166 -26.864 -33.930 -27.363 1.00 0.00 WAT +ATOM 6807 H1 TIP3 166 -26.127 -34.546 -27.183 1.00 0.00 WAT +ATOM 6808 H2 TIP3 166 -26.403 -33.098 -27.537 1.00 0.00 WAT +ATOM 6809 OH2 TIP3 167 -25.306 -35.834 -26.151 1.00 0.00 WAT +ATOM 6810 H1 TIP3 167 -26.096 -36.372 -26.371 1.00 0.00 WAT +ATOM 6811 H2 TIP3 167 -24.607 -36.513 -26.159 1.00 0.00 WAT +ATOM 6812 OH2 TIP3 168 -27.668 -40.281 -43.413 1.00 0.00 WAT +ATOM 6813 H1 TIP3 168 -27.082 -40.424 -42.660 1.00 0.00 WAT +ATOM 6814 H2 TIP3 168 -28.555 -40.448 -43.063 1.00 0.00 WAT +ATOM 6815 OH2 TIP3 169 -27.689 -38.256 -38.350 1.00 0.00 WAT +ATOM 6816 H1 TIP3 169 -27.488 -39.219 -38.267 1.00 0.00 WAT +ATOM 6817 H2 TIP3 169 -26.851 -37.933 -38.719 1.00 0.00 WAT +ATOM 6818 OH2 TIP3 170 -27.375 -37.720 -32.919 1.00 0.00 WAT +ATOM 6819 H1 TIP3 170 -26.397 -37.675 -32.933 1.00 0.00 WAT +ATOM 6820 H2 TIP3 170 -27.519 -37.760 -31.958 1.00 0.00 WAT +ATOM 6821 OH2 TIP3 171 -27.233 -37.061 -30.065 1.00 0.00 WAT +ATOM 6822 H1 TIP3 171 -28.071 -36.636 -29.803 1.00 0.00 WAT +ATOM 6823 H2 TIP3 171 -26.675 -36.290 -30.277 1.00 0.00 WAT +ATOM 6824 OH2 TIP3 172 -42.823 -38.381 -26.274 1.00 0.00 WAT +ATOM 6825 H1 TIP3 172 -41.994 -38.803 -26.535 1.00 0.00 WAT +ATOM 6826 H2 TIP3 172 -43.463 -39.109 -26.260 1.00 0.00 WAT +ATOM 6827 OH2 TIP3 173 -25.081 -42.784 -24.294 1.00 0.00 WAT +ATOM 6828 H1 TIP3 173 -24.527 -43.543 -24.503 1.00 0.00 WAT +ATOM 6829 H2 TIP3 173 -25.031 -42.181 -25.070 1.00 0.00 WAT +ATOM 6830 OH2 TIP3 174 -27.338 -40.966 -38.225 1.00 0.00 WAT +ATOM 6831 H1 TIP3 174 -27.066 -41.471 -37.444 1.00 0.00 WAT +ATOM 6832 H2 TIP3 174 -27.952 -41.595 -38.648 1.00 0.00 WAT +ATOM 6833 OH2 TIP3 175 -41.939 -39.879 -33.371 1.00 0.00 WAT +ATOM 6834 H1 TIP3 175 -41.617 -40.802 -33.296 1.00 0.00 WAT +ATOM 6835 H2 TIP3 175 -41.140 -39.373 -33.141 1.00 0.00 WAT +ATOM 6836 OH2 TIP3 176 -43.341 -37.270 -32.451 1.00 0.00 WAT +ATOM 6837 H1 TIP3 176 -42.938 -37.771 -33.177 1.00 0.00 WAT +ATOM 6838 H2 TIP3 176 -43.164 -36.361 -32.722 1.00 0.00 WAT +ATOM 6839 OH2 TIP3 177 -25.269 -41.111 -26.449 1.00 0.00 WAT +ATOM 6840 H1 TIP3 177 -26.123 -40.646 -26.365 1.00 0.00 WAT +ATOM 6841 H2 TIP3 177 -25.373 -41.473 -27.346 1.00 0.00 WAT +ATOM 6842 OH2 TIP3 178 -25.147 -40.721 -41.747 1.00 0.00 WAT +ATOM 6843 H1 TIP3 178 -24.884 -41.458 -42.310 1.00 0.00 WAT +ATOM 6844 H2 TIP3 178 -24.335 -40.191 -41.710 1.00 0.00 WAT +ATOM 6845 OH2 TIP3 179 -43.147 -41.048 -38.874 1.00 0.00 WAT +ATOM 6846 H1 TIP3 179 -43.975 -40.736 -39.261 1.00 0.00 WAT +ATOM 6847 H2 TIP3 179 -42.527 -40.378 -39.241 1.00 0.00 WAT +ATOM 6848 OH2 TIP3 180 -27.723 -25.603 -36.775 1.00 0.00 WAT +ATOM 6849 H1 TIP3 180 -26.958 -25.648 -36.118 1.00 0.00 WAT +ATOM 6850 H2 TIP3 180 -28.426 -25.229 -36.185 1.00 0.00 WAT +ATOM 6851 OH2 TIP3 181 -42.919 -41.643 -30.526 1.00 0.00 WAT +ATOM 6852 H1 TIP3 181 -43.511 -42.244 -30.024 1.00 0.00 WAT +ATOM 6853 H2 TIP3 181 -43.290 -41.661 -31.418 1.00 0.00 WAT +ATOM 6854 OH2 TIP3 182 -41.167 -28.633 -25.892 1.00 0.00 WAT +ATOM 6855 H1 TIP3 182 -41.709 -29.242 -26.401 1.00 0.00 WAT +ATOM 6856 H2 TIP3 182 -41.324 -28.961 -24.976 1.00 0.00 WAT +ATOM 6857 OH2 TIP3 183 -38.025 -27.982 -29.982 1.00 0.00 WAT +ATOM 6858 H1 TIP3 183 -38.337 -27.138 -30.354 1.00 0.00 WAT +ATOM 6859 H2 TIP3 183 -37.065 -27.888 -30.158 1.00 0.00 WAT +ATOM 6860 OH2 TIP3 184 -33.504 -26.703 -26.995 1.00 0.00 WAT +ATOM 6861 H1 TIP3 184 -33.388 -26.846 -26.043 1.00 0.00 WAT +ATOM 6862 H2 TIP3 184 -32.690 -26.214 -27.225 1.00 0.00 WAT +ATOM 6863 OH2 TIP3 185 -31.179 -25.234 -27.763 1.00 0.00 WAT +ATOM 6864 H1 TIP3 185 -30.500 -25.926 -27.884 1.00 0.00 WAT +ATOM 6865 H2 TIP3 185 -30.905 -24.859 -26.897 1.00 0.00 WAT +ATOM 6866 OH2 TIP3 186 -26.652 -42.754 -28.541 1.00 0.00 WAT +ATOM 6867 H1 TIP3 186 -27.160 -42.152 -29.112 1.00 0.00 WAT +ATOM 6868 H2 TIP3 186 -26.411 -43.431 -29.194 1.00 0.00 WAT +ATOM 6869 OH2 TIP3 187 -40.699 -24.921 -29.747 1.00 0.00 WAT +ATOM 6870 H1 TIP3 187 -41.389 -24.421 -30.223 1.00 0.00 WAT +ATOM 6871 H2 TIP3 187 -40.999 -24.832 -28.835 1.00 0.00 WAT +ATOM 6872 OH2 TIP3 188 -38.196 -25.256 -31.107 1.00 0.00 WAT +ATOM 6873 H1 TIP3 188 -39.055 -25.062 -30.682 1.00 0.00 WAT +ATOM 6874 H2 TIP3 188 -38.158 -24.589 -31.811 1.00 0.00 WAT +ATOM 6875 OH2 TIP3 189 -33.527 -24.002 -31.827 1.00 0.00 WAT +ATOM 6876 H1 TIP3 189 -33.947 -23.496 -31.657 1.00 0.00 WAT +ATOM 6877 H2 TIP3 189 -33.030 -24.391 -31.094 1.00 0.00 WAT +ATOM 6878 OH2 TIP3 190 -31.087 -26.500 -30.519 1.00 0.00 WAT +ATOM 6879 H1 TIP3 190 -31.811 -26.288 -31.138 1.00 0.00 WAT +ATOM 6880 H2 TIP3 190 -30.474 -25.776 -30.656 1.00 0.00 WAT +ATOM 6881 OH2 TIP3 191 -28.589 -24.800 -30.459 1.00 0.00 WAT +ATOM 6882 H1 TIP3 191 -28.580 -23.848 -30.683 1.00 0.00 WAT +ATOM 6883 H2 TIP3 191 -28.262 -25.188 -31.289 1.00 0.00 WAT +ATOM 6884 OH2 TIP3 192 -41.248 -26.160 -32.760 1.00 0.00 WAT +ATOM 6885 H1 TIP3 192 -41.349 -26.613 -31.898 1.00 0.00 WAT +ATOM 6886 H2 TIP3 192 -40.489 -26.639 -33.133 1.00 0.00 WAT +ATOM 6887 OH2 TIP3 193 -39.073 -27.456 -34.305 1.00 0.00 WAT +ATOM 6888 H1 TIP3 193 -39.263 -28.360 -33.977 1.00 0.00 WAT +ATOM 6889 H2 TIP3 193 -38.192 -27.283 -33.903 1.00 0.00 WAT +ATOM 6890 OH2 TIP3 194 -36.432 -27.184 -33.403 1.00 0.00 WAT +ATOM 6891 H1 TIP3 194 -36.157 -28.105 -33.517 1.00 0.00 WAT +ATOM 6892 H2 TIP3 194 -36.232 -27.022 -32.470 1.00 0.00 WAT +ATOM 6893 OH2 TIP3 195 -33.012 -41.122 -34.124 1.00 0.00 WAT +ATOM 6894 H1 TIP3 195 -33.622 -41.827 -33.828 1.00 0.00 WAT +ATOM 6895 H2 TIP3 195 -32.392 -41.616 -34.683 1.00 0.00 WAT +ATOM 6896 OH2 TIP3 196 -27.712 -43.291 -33.645 1.00 0.00 WAT +ATOM 6897 H1 TIP3 196 -27.116 -42.895 -34.303 1.00 0.00 WAT +ATOM 6898 H2 TIP3 196 -28.586 -43.053 -33.979 1.00 0.00 WAT +ATOM 6899 OH2 TIP3 197 -25.782 -42.235 -35.837 1.00 0.00 WAT +ATOM 6900 H1 TIP3 197 -25.215 -42.470 -36.577 1.00 0.00 WAT +ATOM 6901 H2 TIP3 197 -25.566 -41.293 -35.703 1.00 0.00 WAT +ATOM 6902 OH2 TIP3 198 -40.758 -42.789 -36.680 1.00 0.00 WAT +ATOM 6903 H1 TIP3 198 -41.581 -43.130 -37.055 1.00 0.00 WAT +ATOM 6904 H2 TIP3 198 -40.250 -43.589 -36.511 1.00 0.00 WAT +ATOM 6905 OH2 TIP3 199 -41.983 -42.895 -40.749 1.00 0.00 WAT +ATOM 6906 H1 TIP3 199 -41.642 -42.232 -41.379 1.00 0.00 WAT +ATOM 6907 H2 TIP3 199 -42.514 -42.342 -40.148 1.00 0.00 WAT +ATOM 6908 OH2 TIP3 200 -36.134 -42.216 -36.500 1.00 0.00 WAT +ATOM 6909 H1 TIP3 200 -35.197 -42.334 -36.713 1.00 0.00 WAT +ATOM 6910 H2 TIP3 200 -36.326 -42.963 -35.923 1.00 0.00 WAT +ATOM 6911 OH2 TIP3 201 -30.608 -42.642 -35.164 1.00 0.00 WAT +ATOM 6912 H1 TIP3 201 -30.258 -42.620 -36.063 1.00 0.00 WAT +ATOM 6913 H2 TIP3 201 -30.725 -43.587 -34.991 1.00 0.00 WAT +ATOM 6914 OH2 TIP3 202 -29.527 -42.708 -39.152 1.00 0.00 WAT +ATOM 6915 H1 TIP3 202 -30.269 -42.146 -39.445 1.00 0.00 WAT +ATOM 6916 H2 TIP3 202 -29.895 -43.599 -39.195 1.00 0.00 WAT +ATOM 6917 OH2 TIP3 203 -41.785 -26.883 -39.866 1.00 0.00 WAT +ATOM 6918 H1 TIP3 203 -42.605 -27.074 -40.335 1.00 0.00 WAT +ATOM 6919 H2 TIP3 203 -41.860 -25.933 -39.713 1.00 0.00 WAT +ATOM 6920 OH2 TIP3 204 -40.119 -41.114 -42.239 1.00 0.00 WAT +ATOM 6921 H1 TIP3 204 -39.575 -41.599 -42.871 1.00 0.00 WAT +ATOM 6922 H2 TIP3 204 -39.437 -40.631 -41.738 1.00 0.00 WAT +ATOM 6923 OH2 TIP3 205 -34.945 -40.566 -39.846 1.00 0.00 WAT +ATOM 6924 H1 TIP3 205 -34.818 -41.417 -39.380 1.00 0.00 WAT +ATOM 6925 H2 TIP3 205 -34.695 -39.906 -39.168 1.00 0.00 WAT +ATOM 6926 OH2 TIP3 206 -32.982 -25.295 -41.334 1.00 0.00 WAT +ATOM 6927 H1 TIP3 206 -32.054 -25.073 -41.468 1.00 0.00 WAT +ATOM 6928 H2 TIP3 206 -33.114 -25.964 -42.028 1.00 0.00 WAT +ATOM 6929 OH2 TIP3 207 -26.168 -26.113 -38.990 1.00 0.00 WAT +ATOM 6930 H1 TIP3 207 -26.542 -26.919 -39.370 1.00 0.00 WAT +ATOM 6931 H2 TIP3 207 -26.505 -25.413 -39.601 1.00 0.00 WAT +ATOM 6932 OH2 TIP3 208 -41.107 -41.765 -27.334 1.00 0.00 WAT +ATOM 6933 H1 TIP3 208 -41.591 -42.448 -26.826 1.00 0.00 WAT +ATOM 6934 H2 TIP3 208 -40.272 -42.239 -27.472 1.00 0.00 WAT +ATOM 6935 OH2 TIP3 209 -38.086 -42.776 -24.727 1.00 0.00 WAT +ATOM 6936 H1 TIP3 209 -37.220 -43.028 -25.122 1.00 0.00 WAT +ATOM 6937 H2 TIP3 209 -38.266 -43.547 -24.177 1.00 0.00 WAT +ATOM 6938 OH2 TIP3 210 -39.612 -25.832 -42.380 1.00 0.00 WAT +ATOM 6939 H1 TIP3 210 -40.211 -25.636 -41.648 1.00 0.00 WAT +ATOM 6940 H2 TIP3 210 -39.285 -26.713 -42.177 1.00 0.00 WAT +ATOM 6941 OH2 TIP3 211 -26.924 -27.335 -26.432 1.00 0.00 WAT +ATOM 6942 H1 TIP3 211 -27.684 -27.535 -27.007 1.00 0.00 WAT +ATOM 6943 H2 TIP3 211 -27.114 -26.407 -26.197 1.00 0.00 WAT +ATOM 6944 OH2 TIP3 212 -12.732 -33.666 -36.292 1.00 0.00 WAT +ATOM 6945 H1 TIP3 212 -12.761 -32.703 -36.165 1.00 0.00 WAT +ATOM 6946 H2 TIP3 212 -13.518 -33.808 -36.836 1.00 0.00 WAT +ATOM 6947 OH2 TIP3 213 -13.877 -34.226 -33.204 1.00 0.00 WAT +ATOM 6948 H1 TIP3 213 -13.907 -34.782 -32.409 1.00 0.00 WAT +ATOM 6949 H2 TIP3 213 -14.173 -34.850 -33.884 1.00 0.00 WAT +ATOM 6950 OH2 TIP3 214 -21.415 -34.640 -31.534 1.00 0.00 WAT +ATOM 6951 H1 TIP3 214 -21.437 -35.390 -30.910 1.00 0.00 WAT +ATOM 6952 H2 TIP3 214 -20.718 -34.096 -31.140 1.00 0.00 WAT +ATOM 6953 OH2 TIP3 215 -10.188 -31.496 -34.881 1.00 0.00 WAT +ATOM 6954 H1 TIP3 215 -10.592 -32.196 -34.350 1.00 0.00 WAT +ATOM 6955 H2 TIP3 215 -9.948 -30.856 -34.197 1.00 0.00 WAT +ATOM 6956 OH2 TIP3 216 -20.764 -29.994 -33.038 1.00 0.00 WAT +ATOM 6957 H1 TIP3 216 -21.000 -30.914 -33.285 1.00 0.00 WAT +ATOM 6958 H2 TIP3 216 -19.834 -30.121 -32.798 1.00 0.00 WAT +ATOM 6959 OH2 TIP3 217 -23.763 -36.622 -37.626 1.00 0.00 WAT +ATOM 6960 H1 TIP3 217 -24.145 -35.737 -37.521 1.00 0.00 WAT +ATOM 6961 H2 TIP3 217 -24.482 -37.092 -38.067 1.00 0.00 WAT +ATOM 6962 OH2 TIP3 218 -22.972 -34.150 -35.798 1.00 0.00 WAT +ATOM 6963 H1 TIP3 218 -22.807 -34.975 -35.299 1.00 0.00 WAT +ATOM 6964 H2 TIP3 218 -22.129 -34.026 -36.253 1.00 0.00 WAT +ATOM 6965 OH2 TIP3 219 -13.140 -26.115 -34.315 1.00 0.00 WAT +ATOM 6966 H1 TIP3 219 -12.566 -26.839 -34.632 1.00 0.00 WAT +ATOM 6967 H2 TIP3 219 -13.433 -26.453 -33.459 1.00 0.00 WAT +ATOM 6968 OH2 TIP3 220 -15.406 -31.711 -32.639 1.00 0.00 WAT +ATOM 6969 H1 TIP3 220 -15.084 -32.432 -33.208 1.00 0.00 WAT +ATOM 6970 H2 TIP3 220 -14.596 -31.561 -32.114 1.00 0.00 WAT +ATOM 6971 OH2 TIP3 221 -6.870 -40.126 -32.086 1.00 0.00 WAT +ATOM 6972 H1 TIP3 221 -6.512 -39.765 -31.259 1.00 0.00 WAT +ATOM 6973 H2 TIP3 221 -6.165 -39.880 -32.711 1.00 0.00 WAT +ATOM 6974 OH2 TIP3 222 -12.112 -37.396 -32.120 1.00 0.00 WAT +ATOM 6975 H1 TIP3 222 -11.927 -38.351 -32.096 1.00 0.00 WAT +ATOM 6976 H2 TIP3 222 -12.214 -37.249 -33.074 1.00 0.00 WAT +ATOM 6977 OH2 TIP3 223 -19.169 -39.411 -35.022 1.00 0.00 WAT +ATOM 6978 H1 TIP3 223 -18.989 -38.565 -35.476 1.00 0.00 WAT +ATOM 6979 H2 TIP3 223 -19.490 -39.946 -35.772 1.00 0.00 WAT +ATOM 6980 OH2 TIP3 224 -11.276 -39.225 -36.707 1.00 0.00 WAT +ATOM 6981 H1 TIP3 224 -10.681 -39.666 -36.066 1.00 0.00 WAT +ATOM 6982 H2 TIP3 224 -10.634 -38.779 -37.278 1.00 0.00 WAT +ATOM 6983 OH2 TIP3 225 -22.440 -36.622 -34.546 1.00 0.00 WAT +ATOM 6984 H1 TIP3 225 -21.836 -37.109 -33.963 1.00 0.00 WAT +ATOM 6985 H2 TIP3 225 -22.363 -37.128 -35.373 1.00 0.00 WAT +ATOM 6986 OH2 TIP3 226 -17.059 -35.252 -35.089 1.00 0.00 WAT +ATOM 6987 H1 TIP3 226 -16.360 -35.806 -34.690 1.00 0.00 WAT +ATOM 6988 H2 TIP3 226 -17.569 -35.921 -35.583 1.00 0.00 WAT +ATOM 6989 OH2 TIP3 227 -5.910 -38.455 -29.417 1.00 0.00 WAT +ATOM 6990 H1 TIP3 227 -6.698 -37.984 -29.739 1.00 0.00 WAT +ATOM 6991 H2 TIP3 227 -6.271 -38.924 -28.656 1.00 0.00 WAT +ATOM 6992 OH2 TIP3 228 -20.344 -40.563 -30.874 1.00 0.00 WAT +ATOM 6993 H1 TIP3 228 -20.688 -40.005 -31.591 1.00 0.00 WAT +ATOM 6994 H2 TIP3 228 -21.010 -40.374 -30.181 1.00 0.00 WAT +ATOM 6995 OH2 TIP3 229 -12.831 -30.813 -37.511 1.00 0.00 WAT +ATOM 6996 H1 TIP3 229 -13.145 -31.023 -38.396 1.00 0.00 WAT +ATOM 6997 H2 TIP3 229 -13.296 -29.979 -37.320 1.00 0.00 WAT +ATOM 6998 OH2 TIP3 230 -17.399 -32.694 -30.764 1.00 0.00 WAT +ATOM 6999 H1 TIP3 230 -18.141 -32.106 -30.505 1.00 0.00 WAT +ATOM 7000 H2 TIP3 230 -16.787 -32.075 -31.200 1.00 0.00 WAT +ATOM 7001 OH2 TIP3 231 -9.381 -40.119 -34.676 1.00 0.00 WAT +ATOM 7002 H1 TIP3 231 -9.849 -40.623 -33.999 1.00 0.00 WAT +ATOM 7003 H2 TIP3 231 -8.865 -39.502 -34.132 1.00 0.00 WAT +ATOM 7004 OH2 TIP3 232 -20.740 -38.548 -32.932 1.00 0.00 WAT +ATOM 7005 H1 TIP3 232 -20.105 -37.948 -32.486 1.00 0.00 WAT +ATOM 7006 H2 TIP3 232 -20.170 -38.898 -33.653 1.00 0.00 WAT +ATOM 7007 OH2 TIP3 233 -19.419 -30.832 -30.050 1.00 0.00 WAT +ATOM 7008 H1 TIP3 233 -19.450 -29.901 -30.338 1.00 0.00 WAT +ATOM 7009 H2 TIP3 233 -20.283 -30.894 -29.597 1.00 0.00 WAT +ATOM 7010 OH2 TIP3 234 -23.106 -31.126 -39.171 1.00 0.00 WAT +ATOM 7011 H1 TIP3 234 -23.272 -30.722 -40.045 1.00 0.00 WAT +ATOM 7012 H2 TIP3 234 -22.958 -30.362 -38.583 1.00 0.00 WAT +ATOM 7013 OH2 TIP3 235 -9.628 -29.680 -32.395 1.00 0.00 WAT +ATOM 7014 H1 TIP3 235 -10.599 -29.575 -32.347 1.00 0.00 WAT +ATOM 7015 H2 TIP3 235 -9.376 -28.809 -32.752 1.00 0.00 WAT +ATOM 7016 OH2 TIP3 236 -9.228 -41.083 -30.647 1.00 0.00 WAT +ATOM 7017 H1 TIP3 236 -10.039 -40.784 -31.090 1.00 0.00 WAT +ATOM 7018 H2 TIP3 236 -8.572 -40.974 -31.360 1.00 0.00 WAT +ATOM 7019 OH2 TIP3 237 -16.119 43.814 -33.634 1.00 0.00 WAT +ATOM 7020 H1 TIP3 237 -16.150 42.856 -33.533 1.00 0.00 WAT +ATOM 7021 H2 TIP3 237 -16.997 44.117 -33.325 1.00 0.00 WAT +ATOM 7022 OH2 TIP3 238 -11.347 -27.738 -35.811 1.00 0.00 WAT +ATOM 7023 H1 TIP3 238 -10.865 -28.523 -36.135 1.00 0.00 WAT +ATOM 7024 H2 TIP3 238 -10.676 -27.039 -35.932 1.00 0.00 WAT +ATOM 7025 OH2 TIP3 239 -9.882 -29.888 -37.209 1.00 0.00 WAT +ATOM 7026 H1 TIP3 239 -10.449 -30.314 -37.866 1.00 0.00 WAT +ATOM 7027 H2 TIP3 239 -9.954 -30.512 -36.461 1.00 0.00 WAT +ATOM 7028 OH2 TIP3 240 -8.330 -31.050 -28.705 1.00 0.00 WAT +ATOM 7029 H1 TIP3 240 -8.475 -31.696 -29.419 1.00 0.00 WAT +ATOM 7030 H2 TIP3 240 -8.255 -30.211 -29.198 1.00 0.00 WAT +ATOM 7031 OH2 TIP3 241 -14.067 -34.180 -39.057 1.00 0.00 WAT +ATOM 7032 H1 TIP3 241 -14.731 -33.538 -39.375 1.00 0.00 WAT +ATOM 7033 H2 TIP3 241 -13.352 -34.063 -39.699 1.00 0.00 WAT +ATOM 7034 OH2 TIP3 242 -13.879 -35.935 -42.083 1.00 0.00 WAT +ATOM 7035 H1 TIP3 242 -13.207 -35.629 -41.451 1.00 0.00 WAT +ATOM 7036 H2 TIP3 242 -13.339 -36.544 -42.634 1.00 0.00 WAT +ATOM 7037 OH2 TIP3 243 -6.511 -34.796 -30.873 1.00 0.00 WAT +ATOM 7038 H1 TIP3 243 -7.285 -34.221 -30.714 1.00 0.00 WAT +ATOM 7039 H2 TIP3 243 -6.210 -34.471 -31.733 1.00 0.00 WAT +ATOM 7040 OH2 TIP3 244 -10.575 -34.140 -37.943 1.00 0.00 WAT +ATOM 7041 H1 TIP3 244 -11.277 -33.925 -37.286 1.00 0.00 WAT +ATOM 7042 H2 TIP3 244 -10.007 -34.724 -37.411 1.00 0.00 WAT +ATOM 7043 OH2 TIP3 245 -10.734 -35.612 -29.104 1.00 0.00 WAT +ATOM 7044 H1 TIP3 245 -10.701 -34.799 -28.572 1.00 0.00 WAT +ATOM 7045 H2 TIP3 245 -11.404 -35.335 -29.755 1.00 0.00 WAT +ATOM 7046 OH2 TIP3 246 -18.990 -33.374 -36.155 1.00 0.00 WAT +ATOM 7047 H1 TIP3 246 -19.298 -33.803 -36.977 1.00 0.00 WAT +ATOM 7048 H2 TIP3 246 -18.340 -34.018 -35.822 1.00 0.00 WAT +ATOM 7049 OH2 TIP3 247 -17.622 -29.959 -33.423 1.00 0.00 WAT +ATOM 7050 H1 TIP3 247 -17.738 -30.355 -34.297 1.00 0.00 WAT +ATOM 7051 H2 TIP3 247 -16.833 -30.432 -33.094 1.00 0.00 WAT +ATOM 7052 OH2 TIP3 248 -18.395 -34.572 -32.666 1.00 0.00 WAT +ATOM 7053 H1 TIP3 248 -17.824 -34.530 -33.457 1.00 0.00 WAT +ATOM 7054 H2 TIP3 248 -18.005 -33.895 -32.082 1.00 0.00 WAT +ATOM 7055 OH2 TIP3 249 -12.421 -29.062 -32.088 1.00 0.00 WAT +ATOM 7056 H1 TIP3 249 -12.435 -28.383 -31.392 1.00 0.00 WAT +ATOM 7057 H2 TIP3 249 -12.687 -29.872 -31.618 1.00 0.00 WAT +ATOM 7058 OH2 TIP3 250 -17.560 -30.244 -27.841 1.00 0.00 WAT +ATOM 7059 H1 TIP3 250 -18.071 -29.583 -27.339 1.00 0.00 WAT +ATOM 7060 H2 TIP3 250 -18.208 -30.508 -28.520 1.00 0.00 WAT +ATOM 7061 OH2 TIP3 251 -11.494 -34.704 -40.562 1.00 0.00 WAT +ATOM 7062 H1 TIP3 251 -11.088 -34.429 -39.713 1.00 0.00 WAT +ATOM 7063 H2 TIP3 251 -10.921 -34.244 -41.201 1.00 0.00 WAT +ATOM 7064 OH2 TIP3 252 -20.627 -33.837 -28.720 1.00 0.00 WAT +ATOM 7065 H1 TIP3 252 -20.577 -33.266 -27.932 1.00 0.00 WAT +ATOM 7066 H2 TIP3 252 -21.586 -33.984 -28.790 1.00 0.00 WAT +ATOM 7067 OH2 TIP3 253 -14.184 -28.102 -36.932 1.00 0.00 WAT +ATOM 7068 H1 TIP3 253 -13.694 -27.805 -36.156 1.00 0.00 WAT +ATOM 7069 H2 TIP3 253 -14.651 -27.301 -37.213 1.00 0.00 WAT +ATOM 7070 OH2 TIP3 254 -19.460 -28.065 -27.013 1.00 0.00 WAT +ATOM 7071 H1 TIP3 254 -19.583 -28.034 -27.977 1.00 0.00 WAT +ATOM 7072 H2 TIP3 254 -20.340 -28.331 -26.684 1.00 0.00 WAT +ATOM 7073 OH2 TIP3 255 -8.274 -43.389 -41.242 1.00 0.00 WAT +ATOM 7074 H1 TIP3 255 -8.780 -43.301 -40.421 1.00 0.00 WAT +ATOM 7075 H2 TIP3 255 -7.663 -42.646 -41.153 1.00 0.00 WAT +ATOM 7076 OH2 TIP3 256 -20.055 -34.624 -38.631 1.00 0.00 WAT +ATOM 7077 H1 TIP3 256 -20.295 -33.861 -39.189 1.00 0.00 WAT +ATOM 7078 H2 TIP3 256 -20.731 -35.268 -38.880 1.00 0.00 WAT +ATOM 7079 OH2 TIP3 257 -7.078 -28.850 -42.438 1.00 0.00 WAT +ATOM 7080 H1 TIP3 257 -6.844 -27.949 -42.167 1.00 0.00 WAT +ATOM 7081 H2 TIP3 257 -6.224 -29.306 -42.406 1.00 0.00 WAT +ATOM 7082 OH2 TIP3 258 -24.012 -31.961 -29.901 1.00 0.00 WAT +ATOM 7083 H1 TIP3 258 -24.447 -31.987 -30.773 1.00 0.00 WAT +ATOM 7084 H2 TIP3 258 -23.872 -32.910 -29.716 1.00 0.00 WAT +ATOM 7085 OH2 TIP3 259 -23.953 -29.036 -32.959 1.00 0.00 WAT +ATOM 7086 H1 TIP3 259 -23.027 -29.321 -32.924 1.00 0.00 WAT +ATOM 7087 H2 TIP3 259 -23.995 -28.438 -32.198 1.00 0.00 WAT +ATOM 7088 OH2 TIP3 260 -5.570 -28.422 -27.186 1.00 0.00 WAT +ATOM 7089 H1 TIP3 260 -5.684 -29.372 -27.365 1.00 0.00 WAT +ATOM 7090 H2 TIP3 260 -6.481 -28.179 -26.908 1.00 0.00 WAT +ATOM 7091 OH2 TIP3 261 -14.925 -29.194 -28.403 1.00 0.00 WAT +ATOM 7092 H1 TIP3 261 -14.850 -28.374 -27.873 1.00 0.00 WAT +ATOM 7093 H2 TIP3 261 -15.825 -29.497 -28.169 1.00 0.00 WAT +ATOM 7094 OH2 TIP3 262 -14.591 -25.392 -38.450 1.00 0.00 WAT +ATOM 7095 H1 TIP3 262 -14.649 -25.306 -39.417 1.00 0.00 WAT +ATOM 7096 H2 TIP3 262 -14.560 -24.470 -38.153 1.00 0.00 WAT +ATOM 7097 OH2 TIP3 263 -20.849 -26.234 -36.792 1.00 0.00 WAT +ATOM 7098 H1 TIP3 263 -20.666 -26.688 -35.944 1.00 0.00 WAT +ATOM 7099 H2 TIP3 263 -21.672 -26.668 -37.055 1.00 0.00 WAT +ATOM 7100 OH2 TIP3 264 -11.375 -25.623 -41.081 1.00 0.00 WAT +ATOM 7101 H1 TIP3 264 -11.010 -26.221 -41.772 1.00 0.00 WAT +ATOM 7102 H2 TIP3 264 -11.466 -26.242 -40.328 1.00 0.00 WAT +ATOM 7103 OH2 TIP3 265 -11.921 -26.593 -38.567 1.00 0.00 WAT +ATOM 7104 H1 TIP3 265 -12.849 -26.376 -38.375 1.00 0.00 WAT +ATOM 7105 H2 TIP3 265 -11.735 -27.250 -37.880 1.00 0.00 WAT +ATOM 7106 OH2 TIP3 266 -8.760 -37.074 -26.806 1.00 0.00 WAT +ATOM 7107 H1 TIP3 266 -9.297 -36.695 -27.516 1.00 0.00 WAT +ATOM 7108 H2 TIP3 266 -8.702 -38.008 -27.081 1.00 0.00 WAT +ATOM 7109 OH2 TIP3 267 -21.812 -30.411 -28.662 1.00 0.00 WAT +ATOM 7110 H1 TIP3 267 -21.545 -30.866 -27.837 1.00 0.00 WAT +ATOM 7111 H2 TIP3 267 -22.551 -30.958 -28.983 1.00 0.00 WAT +ATOM 7112 OH2 TIP3 268 -18.604 -42.190 -32.740 1.00 0.00 WAT +ATOM 7113 H1 TIP3 268 -19.427 -42.434 -33.186 1.00 0.00 WAT +ATOM 7114 H2 TIP3 268 -18.865 -41.363 -32.307 1.00 0.00 WAT +ATOM 7115 OH2 TIP3 269 -14.056 -42.605 -29.155 1.00 0.00 WAT +ATOM 7116 H1 TIP3 269 -13.853 -43.108 -28.361 1.00 0.00 WAT +ATOM 7117 H2 TIP3 269 -15.001 -42.781 -29.256 1.00 0.00 WAT +ATOM 7118 OH2 TIP3 270 -11.067 -38.623 -28.733 1.00 0.00 WAT +ATOM 7119 H1 TIP3 270 -11.665 -38.754 -27.974 1.00 0.00 WAT +ATOM 7120 H2 TIP3 270 -11.146 -37.671 -28.914 1.00 0.00 WAT +ATOM 7121 OH2 TIP3 271 -9.173 -33.907 -42.556 1.00 0.00 WAT +ATOM 7122 H1 TIP3 271 -9.784 -34.047 -43.304 1.00 0.00 WAT +ATOM 7123 H2 TIP3 271 -9.015 -32.963 -42.671 1.00 0.00 WAT +ATOM 7124 OH2 TIP3 272 -14.415 -39.990 -42.169 1.00 0.00 WAT +ATOM 7125 H1 TIP3 272 -14.958 -39.943 -41.358 1.00 0.00 WAT +ATOM 7126 H2 TIP3 272 -14.916 -40.657 -42.651 1.00 0.00 WAT +ATOM 7127 OH2 TIP3 273 -18.765 -37.157 -31.478 1.00 0.00 WAT +ATOM 7128 H1 TIP3 273 -19.346 -37.034 -30.709 1.00 0.00 WAT +ATOM 7129 H2 TIP3 273 -18.690 -36.244 -31.831 1.00 0.00 WAT +ATOM 7130 OH2 TIP3 274 -18.819 -37.082 -36.590 1.00 0.00 WAT +ATOM 7131 H1 TIP3 274 -19.774 -37.188 -36.752 1.00 0.00 WAT +ATOM 7132 H2 TIP3 274 -18.467 -37.265 -37.485 1.00 0.00 WAT +ATOM 7133 OH2 TIP3 275 -13.130 -36.529 -37.855 1.00 0.00 WAT +ATOM 7134 H1 TIP3 275 -13.549 -35.706 -38.184 1.00 0.00 WAT +ATOM 7135 H2 TIP3 275 -12.507 -36.726 -38.574 1.00 0.00 WAT +ATOM 7136 OH2 TIP3 276 -14.014 -36.321 -26.491 1.00 0.00 WAT +ATOM 7137 H1 TIP3 276 -14.533 -37.059 -26.110 1.00 0.00 WAT +ATOM 7138 H2 TIP3 276 -13.148 -36.440 -26.054 1.00 0.00 WAT +ATOM 7139 OH2 TIP3 277 -12.341 -37.112 -35.054 1.00 0.00 WAT +ATOM 7140 H1 TIP3 277 -12.633 -36.544 -35.793 1.00 0.00 WAT +ATOM 7141 H2 TIP3 277 -12.143 -37.931 -35.552 1.00 0.00 WAT +ATOM 7142 OH2 TIP3 278 -21.401 -36.965 -29.655 1.00 0.00 WAT +ATOM 7143 H1 TIP3 278 -21.128 -36.688 -28.772 1.00 0.00 WAT +ATOM 7144 H2 TIP3 278 -21.792 -37.841 -29.464 1.00 0.00 WAT +ATOM 7145 OH2 TIP3 279 -17.690 -39.592 -43.170 1.00 0.00 WAT +ATOM 7146 H1 TIP3 279 -17.989 -39.865 -42.285 1.00 0.00 WAT +ATOM 7147 H2 TIP3 279 -18.450 -39.055 -43.463 1.00 0.00 WAT +ATOM 7148 OH2 TIP3 280 -24.603 -39.562 -36.016 1.00 0.00 WAT +ATOM 7149 H1 TIP3 280 -24.028 -39.558 -35.225 1.00 0.00 WAT +ATOM 7150 H2 TIP3 280 -24.041 -39.941 -36.703 1.00 0.00 WAT +ATOM 7151 OH2 TIP3 281 -23.033 -39.110 -40.377 1.00 0.00 WAT +ATOM 7152 H1 TIP3 281 -22.456 -38.621 -40.997 1.00 0.00 WAT +ATOM 7153 H2 TIP3 281 -23.688 -38.424 -40.158 1.00 0.00 WAT +ATOM 7154 OH2 TIP3 282 -13.239 -35.435 -30.574 1.00 0.00 WAT +ATOM 7155 H1 TIP3 282 -12.820 -36.167 -31.082 1.00 0.00 WAT +ATOM 7156 H2 TIP3 282 -13.600 -35.911 -29.813 1.00 0.00 WAT +ATOM 7157 OH2 TIP3 283 -16.045 -39.415 -35.599 1.00 0.00 WAT +ATOM 7158 H1 TIP3 283 -16.978 -39.590 -35.394 1.00 0.00 WAT +ATOM 7159 H2 TIP3 283 -15.607 -39.733 -34.792 1.00 0.00 WAT +ATOM 7160 OH2 TIP3 284 -21.467 -38.276 -36.902 1.00 0.00 WAT +ATOM 7161 H1 TIP3 284 -22.289 -38.004 -37.349 1.00 0.00 WAT +ATOM 7162 H2 TIP3 284 -21.202 -39.088 -37.375 1.00 0.00 WAT +ATOM 7163 OH2 TIP3 285 -17.885 -37.853 -39.206 1.00 0.00 WAT +ATOM 7164 H1 TIP3 285 -16.913 -37.829 -39.173 1.00 0.00 WAT +ATOM 7165 H2 TIP3 285 -18.108 -37.289 -39.967 1.00 0.00 WAT +ATOM 7166 OH2 TIP3 286 -11.708 -40.316 -32.555 1.00 0.00 WAT +ATOM 7167 H1 TIP3 286 -12.341 -40.350 -31.808 1.00 0.00 WAT +ATOM 7168 H2 TIP3 286 -12.282 -40.638 -33.272 1.00 0.00 WAT +ATOM 7169 OH2 TIP3 287 -19.262 -36.759 -41.569 1.00 0.00 WAT +ATOM 7170 H1 TIP3 287 -19.918 -37.206 -42.128 1.00 0.00 WAT +ATOM 7171 H2 TIP3 287 -18.560 -36.534 -42.196 1.00 0.00 WAT +ATOM 7172 OH2 TIP3 288 -8.644 -24.562 -25.874 1.00 0.00 WAT +ATOM 7173 H1 TIP3 288 -8.462 -24.112 -26.716 1.00 0.00 WAT +ATOM 7174 H2 TIP3 288 -7.902 -24.257 -25.325 1.00 0.00 WAT +ATOM 7175 OH2 TIP3 289 -20.743 -31.942 -26.467 1.00 0.00 WAT +ATOM 7176 H1 TIP3 289 -20.069 -31.862 -25.758 1.00 0.00 WAT +ATOM 7177 H2 TIP3 289 -21.550 -31.967 -25.914 1.00 0.00 WAT +ATOM 7178 OH2 TIP3 290 -15.020 -36.929 -33.734 1.00 0.00 WAT +ATOM 7179 H1 TIP3 290 -14.318 -37.390 -34.217 1.00 0.00 WAT +ATOM 7180 H2 TIP3 290 -15.206 -37.556 -33.007 1.00 0.00 WAT +ATOM 7181 OH2 TIP3 291 -19.885 -40.659 -37.573 1.00 0.00 WAT +ATOM 7182 H1 TIP3 291 -20.340 -41.508 -37.431 1.00 0.00 WAT +ATOM 7183 H2 TIP3 291 -19.014 -40.946 -37.884 1.00 0.00 WAT +ATOM 7184 OH2 TIP3 292 -16.060 -38.479 -31.496 1.00 0.00 WAT +ATOM 7185 H1 TIP3 292 -16.828 -37.884 -31.485 1.00 0.00 WAT +ATOM 7186 H2 TIP3 292 -15.569 -38.220 -30.690 1.00 0.00 WAT +ATOM 7187 OH2 TIP3 293 -15.909 -32.119 -39.598 1.00 0.00 WAT +ATOM 7188 H1 TIP3 293 -16.689 -32.601 -39.938 1.00 0.00 WAT +ATOM 7189 H2 TIP3 293 -16.106 -32.046 -38.635 1.00 0.00 WAT +ATOM 7190 OH2 TIP3 294 -8.682 -32.958 -30.877 1.00 0.00 WAT +ATOM 7191 H1 TIP3 294 -8.208 -32.405 -31.532 1.00 0.00 WAT +ATOM 7192 H2 TIP3 294 -9.551 -33.072 -31.311 1.00 0.00 WAT +ATOM 7193 OH2 TIP3 295 -11.706 -39.290 -41.873 1.00 0.00 WAT +ATOM 7194 H1 TIP3 295 -12.680 -39.374 -41.877 1.00 0.00 WAT +ATOM 7195 H2 TIP3 295 -11.526 -38.556 -41.256 1.00 0.00 WAT +ATOM 7196 OH2 TIP3 296 -14.263 -32.078 -28.286 1.00 0.00 WAT +ATOM 7197 H1 TIP3 296 -14.576 -32.414 -27.434 1.00 0.00 WAT +ATOM 7198 H2 TIP3 296 -14.589 -31.165 -28.281 1.00 0.00 WAT +ATOM 7199 OH2 TIP3 297 -11.153 -37.487 -39.878 1.00 0.00 WAT +ATOM 7200 H1 TIP3 297 -10.289 -37.647 -39.450 1.00 0.00 WAT +ATOM 7201 H2 TIP3 297 -11.022 -36.613 -40.290 1.00 0.00 WAT +ATOM 7202 OH2 TIP3 298 -20.780 -32.704 -33.783 1.00 0.00 WAT +ATOM 7203 H1 TIP3 298 -20.220 -32.815 -34.570 1.00 0.00 WAT +ATOM 7204 H2 TIP3 298 -20.680 -33.564 -33.341 1.00 0.00 WAT +ATOM 7205 OH2 TIP3 299 -13.426 -30.758 -40.641 1.00 0.00 WAT +ATOM 7206 H1 TIP3 299 -13.743 -29.870 -40.377 1.00 0.00 WAT +ATOM 7207 H2 TIP3 299 -14.225 -31.285 -40.469 1.00 0.00 WAT +ATOM 7208 OH2 TIP3 300 -23.534 -34.429 -28.517 1.00 0.00 WAT +ATOM 7209 H1 TIP3 300 -23.365 -34.872 -27.661 1.00 0.00 WAT +ATOM 7210 H2 TIP3 300 -24.123 -35.057 -28.968 1.00 0.00 WAT +ATOM 7211 OH2 TIP3 301 -16.549 -34.914 -26.540 1.00 0.00 WAT +ATOM 7212 H1 TIP3 301 -16.896 -35.177 -27.409 1.00 0.00 WAT +ATOM 7213 H2 TIP3 301 -15.621 -35.201 -26.622 1.00 0.00 WAT +ATOM 7214 OH2 TIP3 302 -12.008 -29.477 -28.812 1.00 0.00 WAT +ATOM 7215 H1 TIP3 302 -12.976 -29.415 -28.877 1.00 0.00 WAT +ATOM 7216 H2 TIP3 302 -11.859 -29.245 -27.880 1.00 0.00 WAT +ATOM 7217 OH2 TIP3 303 -6.404 -37.350 -39.976 1.00 0.00 WAT +ATOM 7218 H1 TIP3 303 -7.037 -37.599 -40.678 1.00 0.00 WAT +ATOM 7219 H2 TIP3 303 -6.348 -36.401 -40.178 1.00 0.00 WAT +ATOM 7220 OH2 TIP3 304 -6.025 -31.398 -27.230 1.00 0.00 WAT +ATOM 7221 H1 TIP3 304 -6.963 -31.190 -27.431 1.00 0.00 WAT +ATOM 7222 H2 TIP3 304 -5.683 -31.578 -28.125 1.00 0.00 WAT +ATOM 7223 OH2 TIP3 305 -8.175 -28.815 -39.871 1.00 0.00 WAT +ATOM 7224 H1 TIP3 305 -8.518 -29.593 -39.411 1.00 0.00 WAT +ATOM 7225 H2 TIP3 305 -7.912 -29.169 -40.737 1.00 0.00 WAT +ATOM 7226 OH2 TIP3 306 -11.032 -33.505 -32.569 1.00 0.00 WAT +ATOM 7227 H1 TIP3 306 -11.970 -33.657 -32.795 1.00 0.00 WAT +ATOM 7228 H2 TIP3 306 -10.607 -34.232 -33.064 1.00 0.00 WAT +ATOM 7229 OH2 TIP3 307 -18.404 -29.423 -36.526 1.00 0.00 WAT +ATOM 7230 H1 TIP3 307 -17.987 -28.555 -36.653 1.00 0.00 WAT +ATOM 7231 H2 TIP3 307 -19.320 -29.236 -36.763 1.00 0.00 WAT +ATOM 7232 OH2 TIP3 308 -22.340 -34.508 -41.983 1.00 0.00 WAT +ATOM 7233 H1 TIP3 308 -21.777 -33.845 -41.539 1.00 0.00 WAT +ATOM 7234 H2 TIP3 308 -23.229 -34.273 -41.657 1.00 0.00 WAT +ATOM 7235 OH2 TIP3 309 -16.574 -31.731 -36.903 1.00 0.00 WAT +ATOM 7236 H1 TIP3 309 -16.871 -30.817 -36.757 1.00 0.00 WAT +ATOM 7237 H2 TIP3 309 -17.284 -32.228 -36.471 1.00 0.00 WAT +ATOM 7238 OH2 TIP3 310 -16.409 -27.470 -30.552 1.00 0.00 WAT +ATOM 7239 H1 TIP3 310 -15.851 -26.723 -30.825 1.00 0.00 WAT +ATOM 7240 H2 TIP3 310 -15.800 -27.963 -29.977 1.00 0.00 WAT +ATOM 7241 OH2 TIP3 311 -17.962 -26.530 -37.296 1.00 0.00 WAT +ATOM 7242 H1 TIP3 311 -18.920 -26.379 -37.257 1.00 0.00 WAT +ATOM 7243 H2 TIP3 311 -17.617 -25.644 -37.078 1.00 0.00 WAT +ATOM 7244 OH2 TIP3 312 -12.998 -31.719 -30.979 1.00 0.00 WAT +ATOM 7245 H1 TIP3 312 -13.298 -31.994 -30.094 1.00 0.00 WAT +ATOM 7246 H2 TIP3 312 -12.268 -32.337 -31.144 1.00 0.00 WAT +ATOM 7247 OH2 TIP3 313 -10.858 -30.334 -41.991 1.00 0.00 WAT +ATOM 7248 H1 TIP3 313 -10.364 -30.791 -41.285 1.00 0.00 WAT +ATOM 7249 H2 TIP3 313 -11.764 -30.509 -41.679 1.00 0.00 WAT +ATOM 7250 OH2 TIP3 314 -10.039 -27.155 -28.599 1.00 0.00 WAT +ATOM 7251 H1 TIP3 314 -10.808 -27.612 -28.993 1.00 0.00 WAT +ATOM 7252 H2 TIP3 314 -9.969 -26.353 -29.148 1.00 0.00 WAT +ATOM 7253 OH2 TIP3 315 -5.944 -25.933 -41.528 1.00 0.00 WAT +ATOM 7254 H1 TIP3 315 -5.255 -25.248 -41.393 1.00 0.00 WAT +ATOM 7255 H2 TIP3 315 -6.756 -25.408 -41.366 1.00 0.00 WAT +ATOM 7256 OH2 TIP3 316 -22.189 -39.614 -28.942 1.00 0.00 WAT +ATOM 7257 H1 TIP3 316 -23.105 -39.436 -29.246 1.00 0.00 WAT +ATOM 7258 H2 TIP3 316 -22.341 -40.469 -28.483 1.00 0.00 WAT +ATOM 7259 OH2 TIP3 317 -9.833 -31.848 -39.731 1.00 0.00 WAT +ATOM 7260 H1 TIP3 317 -10.144 -32.507 -39.084 1.00 0.00 WAT +ATOM 7261 H2 TIP3 317 -8.871 -31.867 -39.579 1.00 0.00 WAT +ATOM 7262 OH2 TIP3 318 -22.436 -28.029 -30.509 1.00 0.00 WAT +ATOM 7263 H1 TIP3 318 -22.151 -28.938 -30.330 1.00 0.00 WAT +ATOM 7264 H2 TIP3 318 -22.242 -27.617 -29.657 1.00 0.00 WAT +ATOM 7265 OH2 TIP3 319 -16.270 -29.506 -43.281 1.00 0.00 WAT +ATOM 7266 H1 TIP3 319 -15.965 -30.407 -43.514 1.00 0.00 WAT +ATOM 7267 H2 TIP3 319 -16.849 -29.695 -42.522 1.00 0.00 WAT +ATOM 7268 OH2 TIP3 320 -17.793 -29.856 -40.758 1.00 0.00 WAT +ATOM 7269 H1 TIP3 320 -17.259 -30.364 -40.130 1.00 0.00 WAT +ATOM 7270 H2 TIP3 320 -17.591 -28.933 -40.501 1.00 0.00 WAT +ATOM 7271 OH2 TIP3 321 -20.910 -32.484 -40.334 1.00 0.00 WAT +ATOM 7272 H1 TIP3 321 -21.670 -32.064 -39.882 1.00 0.00 WAT +ATOM 7273 H2 TIP3 321 -20.472 -31.704 -40.712 1.00 0.00 WAT +ATOM 7274 OH2 TIP3 322 -13.296 -40.077 -30.263 1.00 0.00 WAT +ATOM 7275 H1 TIP3 322 -12.669 -39.819 -29.574 1.00 0.00 WAT +ATOM 7276 H2 TIP3 322 -13.660 -40.916 -29.924 1.00 0.00 WAT +ATOM 7277 OH2 TIP3 323 -12.525 -40.489 -39.218 1.00 0.00 WAT +ATOM 7278 H1 TIP3 323 -12.319 -39.906 -39.965 1.00 0.00 WAT +ATOM 7279 H2 TIP3 323 -12.137 -40.002 -38.474 1.00 0.00 WAT +ATOM 7280 OH2 TIP3 324 -14.825 -28.255 -40.254 1.00 0.00 WAT +ATOM 7281 H1 TIP3 324 -15.634 -27.756 -40.052 1.00 0.00 WAT +ATOM 7282 H2 TIP3 324 -14.345 -27.617 -40.797 1.00 0.00 WAT +ATOM 7283 OH2 TIP3 325 -15.183 -38.493 -38.125 1.00 0.00 WAT +ATOM 7284 H1 TIP3 325 -14.416 -37.904 -37.979 1.00 0.00 WAT +ATOM 7285 H2 TIP3 325 -15.482 -38.662 -37.208 1.00 0.00 WAT +ATOM 7286 OH2 TIP3 326 -14.813 -37.593 -29.010 1.00 0.00 WAT +ATOM 7287 H1 TIP3 326 -14.755 -37.100 -28.173 1.00 0.00 WAT +ATOM 7288 H2 TIP3 326 -14.279 -38.374 -28.819 1.00 0.00 WAT +ATOM 7289 OH2 TIP3 327 -14.416 -41.711 -37.139 1.00 0.00 WAT +ATOM 7290 H1 TIP3 327 -14.754 -40.965 -36.617 1.00 0.00 WAT +ATOM 7291 H2 TIP3 327 -13.887 -41.256 -37.818 1.00 0.00 WAT +ATOM 7292 OH2 TIP3 328 -17.556 -27.088 -40.235 1.00 0.00 WAT +ATOM 7293 H1 TIP3 328 -17.653 -26.255 -40.742 1.00 0.00 WAT +ATOM 7294 H2 TIP3 328 -17.762 -26.789 -39.332 1.00 0.00 WAT +ATOM 7295 OH2 TIP3 329 -18.889 -40.432 -40.745 1.00 0.00 WAT +ATOM 7296 H1 TIP3 329 -18.944 -39.664 -40.154 1.00 0.00 WAT +ATOM 7297 H2 TIP3 329 -18.057 -40.836 -40.437 1.00 0.00 WAT +ATOM 7298 OH2 TIP3 330 -8.451 -39.619 -28.186 1.00 0.00 WAT +ATOM 7299 H1 TIP3 330 -9.419 -39.519 -28.270 1.00 0.00 WAT +ATOM 7300 H2 TIP3 330 -8.264 -39.916 -29.089 1.00 0.00 WAT +ATOM 7301 OH2 TIP3 331 -10.020 -35.736 -34.126 1.00 0.00 WAT +ATOM 7302 H1 TIP3 331 -10.850 -36.187 -34.370 1.00 0.00 WAT +ATOM 7303 H2 TIP3 331 -9.540 -36.446 -33.642 1.00 0.00 WAT +ATOM 7304 OH2 TIP3 332 -20.557 -29.499 -41.545 1.00 0.00 WAT +ATOM 7305 H1 TIP3 332 -19.707 -29.235 -41.151 1.00 0.00 WAT +ATOM 7306 H2 TIP3 332 -20.252 -29.954 -42.346 1.00 0.00 WAT +ATOM 7307 OH2 TIP3 333 -22.279 -37.336 -42.512 1.00 0.00 WAT +ATOM 7308 H1 TIP3 333 -22.139 -36.378 -42.376 1.00 0.00 WAT +ATOM 7309 H2 TIP3 333 -23.172 -37.345 -42.896 1.00 0.00 WAT +ATOM 7310 OH2 TIP3 334 -9.007 -26.900 -32.698 1.00 0.00 WAT +ATOM 7311 H1 TIP3 334 -9.199 -26.087 -33.205 1.00 0.00 WAT +ATOM 7312 H2 TIP3 334 -8.084 -26.731 -32.448 1.00 0.00 WAT +ATOM 7313 OH2 TIP3 335 -22.208 -42.418 -33.533 1.00 0.00 WAT +ATOM 7314 H1 TIP3 335 -21.798 -42.435 -34.407 1.00 0.00 WAT +ATOM 7315 H2 TIP3 335 -22.007 -43.324 -33.250 1.00 0.00 WAT +ATOM 7316 OH2 TIP3 336 -22.500 -28.832 -37.433 1.00 0.00 WAT +ATOM 7317 H1 TIP3 336 -23.313 -28.340 -37.272 1.00 0.00 WAT +ATOM 7318 H2 TIP3 336 -22.136 -28.371 -38.202 1.00 0.00 WAT +ATOM 7319 OH2 TIP3 337 -23.107 -25.981 -26.301 1.00 0.00 WAT +ATOM 7320 H1 TIP3 337 -22.535 -26.248 -25.555 1.00 0.00 WAT +ATOM 7321 H2 TIP3 337 -23.502 -26.838 -26.557 1.00 0.00 WAT +ATOM 7322 OH2 TIP3 338 -18.394 -26.890 -24.515 1.00 0.00 WAT +ATOM 7323 H1 TIP3 338 -17.736 -27.559 -24.278 1.00 0.00 WAT +ATOM 7324 H2 TIP3 338 -18.647 -27.180 -25.407 1.00 0.00 WAT +ATOM 7325 OH2 TIP3 339 -14.182 -27.541 -43.257 1.00 0.00 WAT +ATOM 7326 H1 TIP3 339 -15.017 -28.051 -43.323 1.00 0.00 WAT +ATOM 7327 H2 TIP3 339 -13.549 -28.206 -43.560 1.00 0.00 WAT +ATOM 7328 OH2 TIP3 340 -11.925 -28.669 -25.941 1.00 0.00 WAT +ATOM 7329 H1 TIP3 340 -12.347 -29.460 -25.558 1.00 0.00 WAT +ATOM 7330 H2 TIP3 340 -11.265 -28.438 -25.265 1.00 0.00 WAT +ATOM 7331 OH2 TIP3 341 -10.569 -27.567 -42.776 1.00 0.00 WAT +ATOM 7332 H1 TIP3 341 -10.572 -28.509 -42.525 1.00 0.00 WAT +ATOM 7333 H2 TIP3 341 -9.910 -27.511 -43.472 1.00 0.00 WAT +ATOM 7334 OH2 TIP3 342 -23.151 -32.349 -25.174 1.00 0.00 WAT +ATOM 7335 H1 TIP3 342 -23.073 -33.261 -25.497 1.00 0.00 WAT +ATOM 7336 H2 TIP3 342 -23.927 -32.041 -25.681 1.00 0.00 WAT +ATOM 7337 OH2 TIP3 343 -18.994 -32.041 -43.080 1.00 0.00 WAT +ATOM 7338 H1 TIP3 343 -18.544 -32.438 -42.323 1.00 0.00 WAT +ATOM 7339 H2 TIP3 343 -18.281 -31.791 -43.702 1.00 0.00 WAT +ATOM 7340 OH2 TIP3 344 -16.505 -32.151 -25.834 1.00 0.00 WAT +ATOM 7341 H1 TIP3 344 -16.842 -31.831 -26.687 1.00 0.00 WAT +ATOM 7342 H2 TIP3 344 -16.454 -33.120 -25.972 1.00 0.00 WAT +ATOM 7343 OH2 TIP3 345 -13.349 -30.810 42.956 1.00 0.00 WAT +ATOM 7344 H1 TIP3 345 -13.457 -30.638 43.893 1.00 0.00 WAT +ATOM 7345 H2 TIP3 345 -13.421 -31.769 42.903 1.00 0.00 WAT +ATOM 7346 OH2 TIP3 346 -11.157 -32.546 -28.443 1.00 0.00 WAT +ATOM 7347 H1 TIP3 346 -10.390 -31.980 -28.618 1.00 0.00 WAT +ATOM 7348 H2 TIP3 346 -11.878 -31.895 -28.445 1.00 0.00 WAT +ATOM 7349 OH2 TIP3 347 -22.294 -35.223 -25.998 1.00 0.00 WAT +ATOM 7350 H1 TIP3 347 -21.555 -35.855 -25.983 1.00 0.00 WAT +ATOM 7351 H2 TIP3 347 -22.343 -34.990 -25.056 1.00 0.00 WAT +ATOM 7352 OH2 TIP3 348 -17.839 -33.844 -40.931 1.00 0.00 WAT +ATOM 7353 H1 TIP3 348 -18.476 -34.259 -40.329 1.00 0.00 WAT +ATOM 7354 H2 TIP3 348 -17.535 -34.612 -41.453 1.00 0.00 WAT +ATOM 7355 OH2 TIP3 349 -18.646 -36.092 -28.570 1.00 0.00 WAT +ATOM 7356 H1 TIP3 349 -19.177 -35.303 -28.355 1.00 0.00 WAT +ATOM 7357 H2 TIP3 349 -17.990 -35.723 -29.188 1.00 0.00 WAT +ATOM 7358 OH2 TIP3 350 -16.627 -35.706 -42.754 1.00 0.00 WAT +ATOM 7359 H1 TIP3 350 -16.645 -35.976 -43.684 1.00 0.00 WAT +ATOM 7360 H2 TIP3 350 -15.674 -35.809 -42.540 1.00 0.00 WAT +ATOM 7361 OH2 TIP3 351 -13.332 -33.378 -25.008 1.00 0.00 WAT +ATOM 7362 H1 TIP3 351 -12.432 -33.582 -25.300 1.00 0.00 WAT +ATOM 7363 H2 TIP3 351 -13.594 -34.211 -24.589 1.00 0.00 WAT +ATOM 7364 OH2 TIP3 352 -18.054 -38.790 -27.455 1.00 0.00 WAT +ATOM 7365 H1 TIP3 352 -17.972 -39.442 -28.170 1.00 0.00 WAT +ATOM 7366 H2 TIP3 352 -18.259 -37.976 -27.948 1.00 0.00 WAT +ATOM 7367 OH2 TIP3 353 -17.668 -40.371 -30.025 1.00 0.00 WAT +ATOM 7368 H1 TIP3 353 -17.145 -39.823 -30.645 1.00 0.00 WAT +ATOM 7369 H2 TIP3 353 -18.579 -40.269 -30.370 1.00 0.00 WAT +ATOM 7370 OH2 TIP3 354 -16.168 -34.875 -29.567 1.00 0.00 WAT +ATOM 7371 H1 TIP3 354 -15.331 -34.954 -30.047 1.00 0.00 WAT +ATOM 7372 H2 TIP3 354 -16.480 -33.999 -29.871 1.00 0.00 WAT +ATOM 7373 OH2 TIP3 355 -11.586 -36.931 -24.810 1.00 0.00 WAT +ATOM 7374 H1 TIP3 355 -11.407 -37.863 -24.604 1.00 0.00 WAT +ATOM 7375 H2 TIP3 355 -10.691 -36.560 -24.822 1.00 0.00 WAT +ATOM 7376 OH2 TIP3 356 -10.605 -34.143 -26.292 1.00 0.00 WAT +ATOM 7377 H1 TIP3 356 -10.962 -33.538 -26.976 1.00 0.00 WAT +ATOM 7378 H2 TIP3 356 -9.721 -34.315 -26.671 1.00 0.00 WAT +ATOM 7379 OH2 TIP3 357 -19.834 -36.958 -25.629 1.00 0.00 WAT +ATOM 7380 H1 TIP3 357 -20.360 -37.775 -25.608 1.00 0.00 WAT +ATOM 7381 H2 TIP3 357 -19.025 -37.261 -26.069 1.00 0.00 WAT +ATOM 7382 OH2 TIP3 358 -17.179 -42.779 -28.815 1.00 0.00 WAT +ATOM 7383 H1 TIP3 358 -17.069 -41.869 -29.163 1.00 0.00 WAT +ATOM 7384 H2 TIP3 358 -18.109 -42.917 -29.029 1.00 0.00 WAT +ATOM 7385 OH2 TIP3 359 -15.714 -38.431 -25.857 1.00 0.00 WAT +ATOM 7386 H1 TIP3 359 -16.018 -38.713 -24.975 1.00 0.00 WAT +ATOM 7387 H2 TIP3 359 -16.523 -38.633 -26.372 1.00 0.00 WAT +ATOM 7388 OH2 TIP3 360 -13.117 -39.442 -26.872 1.00 0.00 WAT +ATOM 7389 H1 TIP3 360 -14.009 -39.308 -26.500 1.00 0.00 WAT +ATOM 7390 H2 TIP3 360 -12.747 -40.097 -26.253 1.00 0.00 WAT +ATOM 7391 OH2 TIP3 361 -11.380 -41.361 -25.183 1.00 0.00 WAT +ATOM 7392 H1 TIP3 361 -11.546 -42.238 -24.814 1.00 0.00 WAT +ATOM 7393 H2 TIP3 361 -11.542 -40.774 -24.426 1.00 0.00 WAT +ATOM 7394 OH2 TIP3 362 -21.060 -39.586 -25.753 1.00 0.00 WAT +ATOM 7395 H1 TIP3 362 -21.312 -40.208 -26.457 1.00 0.00 WAT +ATOM 7396 H2 TIP3 362 -21.478 -39.983 -24.973 1.00 0.00 WAT +ATOM 7397 OH2 TIP3 363 -16.083 -41.448 -24.764 1.00 0.00 WAT +ATOM 7398 H1 TIP3 363 -16.308 -42.281 -25.220 1.00 0.00 WAT +ATOM 7399 H2 TIP3 363 -16.942 -40.999 -24.688 1.00 0.00 WAT +ATOM 7400 OH2 TIP3 364 -17.072 -24.516 -41.673 1.00 0.00 WAT +ATOM 7401 H1 TIP3 364 -16.105 -24.479 -41.660 1.00 0.00 WAT +ATOM 7402 H2 TIP3 364 -17.317 -24.001 -42.456 1.00 0.00 WAT +ATOM 7403 OH2 TIP3 365 -23.157 -30.598 -41.943 1.00 0.00 WAT +ATOM 7404 H1 TIP3 365 -22.292 -30.149 -41.960 1.00 0.00 WAT +ATOM 7405 H2 TIP3 365 -23.158 -31.071 -42.785 1.00 0.00 WAT +ATOM 7406 OH2 TIP3 366 -24.249 -24.980 -37.157 1.00 0.00 WAT +ATOM 7407 H1 TIP3 366 -24.962 -25.352 -37.708 1.00 0.00 WAT +ATOM 7408 H2 TIP3 366 -24.128 -25.683 -36.490 1.00 0.00 WAT +ATOM 7409 OH2 TIP3 367 -23.846 -26.974 -35.198 1.00 0.00 WAT +ATOM 7410 H1 TIP3 367 -24.126 -27.856 -34.902 1.00 0.00 WAT +ATOM 7411 H2 TIP3 367 -23.488 -26.635 -34.359 1.00 0.00 WAT +ATOM 7412 OH2 TIP3 368 -6.294 -25.743 -32.192 1.00 0.00 WAT +ATOM 7413 H1 TIP3 368 -6.144 -25.733 -31.235 1.00 0.00 WAT +ATOM 7414 H2 TIP3 368 -5.446 -25.416 -32.523 1.00 0.00 WAT +ATOM 7415 OH2 TIP3 369 -6.400 -26.277 -29.320 1.00 0.00 WAT +ATOM 7416 H1 TIP3 369 -6.919 -27.025 -29.670 1.00 0.00 WAT +ATOM 7417 H2 TIP3 369 -5.847 -26.739 -28.672 1.00 0.00 WAT +ATOM 7418 OH2 TIP3 370 -8.393 -30.849 -25.020 1.00 0.00 WAT +ATOM 7419 H1 TIP3 370 -9.282 -30.778 -24.632 1.00 0.00 WAT +ATOM 7420 H2 TIP3 370 -7.955 -30.038 -24.711 1.00 0.00 WAT +ATOM 7421 OH2 TIP3 371 -6.973 -32.111 -39.274 1.00 0.00 WAT +ATOM 7422 H1 TIP3 371 -6.094 -31.702 -39.136 1.00 0.00 WAT +ATOM 7423 H2 TIP3 371 -7.031 -32.666 -38.482 1.00 0.00 WAT +ATOM 7424 OH2 TIP3 372 -6.267 -34.065 -37.021 1.00 0.00 WAT +ATOM 7425 H1 TIP3 372 -7.091 -34.537 -36.789 1.00 0.00 WAT +ATOM 7426 H2 TIP3 372 -5.774 -34.095 -36.195 1.00 0.00 WAT +ATOM 7427 OH2 TIP3 373 -6.730 -31.571 -32.329 1.00 0.00 WAT +ATOM 7428 H1 TIP3 373 -6.115 -31.965 -32.967 1.00 0.00 WAT +ATOM 7429 H2 TIP3 373 -6.724 -30.638 -32.605 1.00 0.00 WAT +ATOM 7430 OH2 TIP3 374 -8.106 -28.584 -30.094 1.00 0.00 WAT +ATOM 7431 H1 TIP3 374 -8.828 -28.159 -29.596 1.00 0.00 WAT +ATOM 7432 H2 TIP3 374 -8.575 -28.921 -30.882 1.00 0.00 WAT +ATOM 7433 OH2 TIP3 375 -6.245 -34.311 -41.133 1.00 0.00 WAT +ATOM 7434 H1 TIP3 375 -6.973 -34.079 -41.732 1.00 0.00 WAT +ATOM 7435 H2 TIP3 375 -6.403 -33.656 -40.429 1.00 0.00 WAT +ATOM 7436 OH2 TIP3 376 -8.037 -36.965 -42.147 1.00 0.00 WAT +ATOM 7437 H1 TIP3 376 -7.805 -36.249 -42.760 1.00 0.00 WAT +ATOM 7438 H2 TIP3 376 -7.706 -37.740 -42.610 1.00 0.00 WAT +ATOM 7439 OH2 TIP3 377 -8.507 -35.775 -36.509 1.00 0.00 WAT +ATOM 7440 H1 TIP3 377 -8.607 -36.718 -36.723 1.00 0.00 WAT +ATOM 7441 H2 TIP3 377 -8.942 -35.715 -35.635 1.00 0.00 WAT +ATOM 7442 OH2 TIP3 378 -23.764 -33.627 -32.799 1.00 0.00 WAT +ATOM 7443 H1 TIP3 378 -23.507 -33.590 -33.735 1.00 0.00 WAT +ATOM 7444 H2 TIP3 378 -22.903 -33.858 -32.389 1.00 0.00 WAT +ATOM 7445 OH2 TIP3 379 -7.996 -33.934 -27.382 1.00 0.00 WAT +ATOM 7446 H1 TIP3 379 -7.267 -34.554 -27.192 1.00 0.00 WAT +ATOM 7447 H2 TIP3 379 -7.533 -33.099 -27.527 1.00 0.00 WAT +ATOM 7448 OH2 TIP3 380 -6.444 -35.834 -26.141 1.00 0.00 WAT +ATOM 7449 H1 TIP3 380 -7.238 -36.362 -26.375 1.00 0.00 WAT +ATOM 7450 H2 TIP3 380 -5.754 -36.523 -26.158 1.00 0.00 WAT +ATOM 7451 OH2 TIP3 381 -8.855 -40.199 -43.396 1.00 0.00 WAT +ATOM 7452 H1 TIP3 381 -8.268 -40.448 -42.675 1.00 0.00 WAT +ATOM 7453 H2 TIP3 381 -9.737 -40.479 -43.102 1.00 0.00 WAT +ATOM 7454 OH2 TIP3 382 -8.818 -38.231 -38.333 1.00 0.00 WAT +ATOM 7455 H1 TIP3 382 -8.643 -39.198 -38.248 1.00 0.00 WAT +ATOM 7456 H2 TIP3 382 -7.973 -37.933 -38.706 1.00 0.00 WAT +ATOM 7457 OH2 TIP3 383 -8.507 -37.702 -32.919 1.00 0.00 WAT +ATOM 7458 H1 TIP3 383 -7.529 -37.721 -32.924 1.00 0.00 WAT +ATOM 7459 H2 TIP3 383 -8.666 -37.770 -31.962 1.00 0.00 WAT +ATOM 7460 OH2 TIP3 384 -8.363 -37.045 -30.067 1.00 0.00 WAT +ATOM 7461 H1 TIP3 384 -9.214 -36.651 -29.798 1.00 0.00 WAT +ATOM 7462 H2 TIP3 384 -7.836 -36.258 -30.281 1.00 0.00 WAT +ATOM 7463 OH2 TIP3 385 -23.916 -38.356 -26.288 1.00 0.00 WAT +ATOM 7464 H1 TIP3 385 -22.985 -38.580 -26.426 1.00 0.00 WAT +ATOM 7465 H2 TIP3 385 -24.339 -39.229 -26.296 1.00 0.00 WAT +ATOM 7466 OH2 TIP3 386 -6.193 -42.750 -24.282 1.00 0.00 WAT +ATOM 7467 H1 TIP3 386 -5.731 -43.564 -24.513 1.00 0.00 WAT +ATOM 7468 H2 TIP3 386 -6.181 -42.181 -25.084 1.00 0.00 WAT +ATOM 7469 OH2 TIP3 387 -8.496 -40.947 -38.219 1.00 0.00 WAT +ATOM 7470 H1 TIP3 387 -8.205 -41.478 -37.463 1.00 0.00 WAT +ATOM 7471 H2 TIP3 387 -9.102 -41.574 -38.657 1.00 0.00 WAT +ATOM 7472 OH2 TIP3 388 -23.159 -39.895 -33.602 1.00 0.00 WAT +ATOM 7473 H1 TIP3 388 -22.850 -40.823 -33.496 1.00 0.00 WAT +ATOM 7474 H2 TIP3 388 -22.407 -39.401 -33.225 1.00 0.00 WAT +ATOM 7475 OH2 TIP3 389 -24.558 -37.270 -32.584 1.00 0.00 WAT +ATOM 7476 H1 TIP3 389 -23.947 -37.330 -33.334 1.00 0.00 WAT +ATOM 7477 H2 TIP3 389 -24.171 -36.542 -32.082 1.00 0.00 WAT +ATOM 7478 OH2 TIP3 390 -6.418 -41.108 -26.453 1.00 0.00 WAT +ATOM 7479 H1 TIP3 390 -7.274 -40.646 -26.375 1.00 0.00 WAT +ATOM 7480 H2 TIP3 390 -6.521 -41.480 -27.347 1.00 0.00 WAT +ATOM 7481 OH2 TIP3 391 -6.309 -40.727 -41.738 1.00 0.00 WAT +ATOM 7482 H1 TIP3 391 -6.052 -41.447 -42.325 1.00 0.00 WAT +ATOM 7483 H2 TIP3 391 -5.484 -40.215 -41.663 1.00 0.00 WAT +ATOM 7484 OH2 TIP3 392 -24.000 -41.008 -38.529 1.00 0.00 WAT +ATOM 7485 H1 TIP3 392 -24.952 -40.950 -38.717 1.00 0.00 WAT +ATOM 7486 H2 TIP3 392 -23.618 -40.331 -39.125 1.00 0.00 WAT +ATOM 7487 OH2 TIP3 393 -9.426 -25.716 -36.405 1.00 0.00 WAT +ATOM 7488 H1 TIP3 393 -8.945 -25.947 -37.216 1.00 0.00 WAT +ATOM 7489 H2 TIP3 393 -8.736 -25.303 -35.873 1.00 0.00 WAT +ATOM 7490 OH2 TIP3 394 -24.235 -41.268 -30.003 1.00 0.00 WAT +ATOM 7491 H1 TIP3 394 -24.246 -42.204 -29.721 1.00 0.00 WAT +ATOM 7492 H2 TIP3 394 -24.429 -41.356 -30.946 1.00 0.00 WAT +ATOM 7493 OH2 TIP3 395 -22.007 -28.952 -25.679 1.00 0.00 WAT +ATOM 7494 H1 TIP3 395 -22.753 -28.975 -26.296 1.00 0.00 WAT +ATOM 7495 H2 TIP3 395 -22.447 -29.028 -24.820 1.00 0.00 WAT +ATOM 7496 OH2 TIP3 396 -19.170 -27.987 -30.004 1.00 0.00 WAT +ATOM 7497 H1 TIP3 396 -19.481 -27.131 -30.344 1.00 0.00 WAT +ATOM 7498 H2 TIP3 396 -18.211 -27.892 -30.174 1.00 0.00 WAT +ATOM 7499 OH2 TIP3 397 -14.657 -26.685 -26.988 1.00 0.00 WAT +ATOM 7500 H1 TIP3 397 -14.532 -26.841 -26.038 1.00 0.00 WAT +ATOM 7501 H2 TIP3 397 -13.826 -26.228 -27.227 1.00 0.00 WAT +ATOM 7502 OH2 TIP3 398 -12.362 -25.212 -27.740 1.00 0.00 WAT +ATOM 7503 H1 TIP3 398 -11.686 -25.872 -27.955 1.00 0.00 WAT +ATOM 7504 H2 TIP3 398 -12.069 -24.918 -26.855 1.00 0.00 WAT +ATOM 7505 OH2 TIP3 399 -7.783 -42.746 -28.540 1.00 0.00 WAT +ATOM 7506 H1 TIP3 399 -8.306 -42.156 -29.111 1.00 0.00 WAT +ATOM 7507 H2 TIP3 399 -7.570 -43.442 -29.183 1.00 0.00 WAT +ATOM 7508 OH2 TIP3 400 -21.796 -25.026 -29.671 1.00 0.00 WAT +ATOM 7509 H1 TIP3 400 -22.399 -24.390 -30.096 1.00 0.00 WAT +ATOM 7510 H2 TIP3 400 -22.111 -24.986 -28.759 1.00 0.00 WAT +ATOM 7511 OH2 TIP3 401 -19.299 -25.248 -31.106 1.00 0.00 WAT +ATOM 7512 H1 TIP3 401 -20.157 -25.074 -30.670 1.00 0.00 WAT +ATOM 7513 H2 TIP3 401 -19.273 -24.558 -31.793 1.00 0.00 WAT +ATOM 7514 OH2 TIP3 402 -14.551 -25.257 -31.552 1.00 0.00 WAT +ATOM 7515 H1 TIP3 402 -14.937 -24.811 -32.328 1.00 0.00 WAT +ATOM 7516 H2 TIP3 402 -14.476 -24.515 -30.922 1.00 0.00 WAT +ATOM 7517 OH2 TIP3 403 -12.221 -26.538 -30.632 1.00 0.00 WAT +ATOM 7518 H1 TIP3 403 -13.070 -26.185 -30.960 1.00 0.00 WAT +ATOM 7519 H2 TIP3 403 -11.667 -25.745 -30.648 1.00 0.00 WAT +ATOM 7520 OH2 TIP3 404 -9.679 -24.808 -30.443 1.00 0.00 WAT +ATOM 7521 H1 TIP3 404 -9.738 -23.856 -30.657 1.00 0.00 WAT +ATOM 7522 H2 TIP3 404 -9.416 -25.166 -31.307 1.00 0.00 WAT +ATOM 7523 OH2 TIP3 405 -22.224 -26.230 -32.719 1.00 0.00 WAT +ATOM 7524 H1 TIP3 405 -22.236 -26.718 -31.865 1.00 0.00 WAT +ATOM 7525 H2 TIP3 405 -21.464 -26.665 -33.157 1.00 0.00 WAT +ATOM 7526 OH2 TIP3 406 -20.202 -27.467 -34.271 1.00 0.00 WAT +ATOM 7527 H1 TIP3 406 -20.355 -28.401 -34.017 1.00 0.00 WAT +ATOM 7528 H2 TIP3 406 -19.285 -27.326 -33.964 1.00 0.00 WAT +ATOM 7529 OH2 TIP3 407 -17.432 -27.008 -33.393 1.00 0.00 WAT +ATOM 7530 H1 TIP3 407 -17.251 -27.938 -33.618 1.00 0.00 WAT +ATOM 7531 H2 TIP3 407 -17.374 -27.047 -32.425 1.00 0.00 WAT +ATOM 7532 OH2 TIP3 408 -14.152 -41.122 -34.118 1.00 0.00 WAT +ATOM 7533 H1 TIP3 408 -14.769 -41.823 -33.828 1.00 0.00 WAT +ATOM 7534 H2 TIP3 408 -13.544 -41.617 -34.687 1.00 0.00 WAT +ATOM 7535 OH2 TIP3 409 -8.848 -43.267 -33.631 1.00 0.00 WAT +ATOM 7536 H1 TIP3 409 -8.262 -42.896 -34.312 1.00 0.00 WAT +ATOM 7537 H2 TIP3 409 -9.729 -43.073 -33.977 1.00 0.00 WAT +ATOM 7538 OH2 TIP3 410 -6.911 -42.241 -35.826 1.00 0.00 WAT +ATOM 7539 H1 TIP3 410 -6.371 -42.480 -36.588 1.00 0.00 WAT +ATOM 7540 H2 TIP3 410 -6.717 -41.294 -35.719 1.00 0.00 WAT +ATOM 7541 OH2 TIP3 411 -21.792 -42.818 -36.778 1.00 0.00 WAT +ATOM 7542 H1 TIP3 411 -22.700 -43.062 -36.988 1.00 0.00 WAT +ATOM 7543 H2 TIP3 411 -21.431 -43.635 -36.421 1.00 0.00 WAT +ATOM 7544 OH2 TIP3 412 -23.179 -42.823 -40.682 1.00 0.00 WAT +ATOM 7545 H1 TIP3 412 -22.659 -42.314 -41.338 1.00 0.00 WAT +ATOM 7546 H2 TIP3 412 -23.520 -42.113 -40.115 1.00 0.00 WAT +ATOM 7547 OH2 TIP3 413 -17.293 -42.262 -36.523 1.00 0.00 WAT +ATOM 7548 H1 TIP3 413 -16.349 -42.346 -36.720 1.00 0.00 WAT +ATOM 7549 H2 TIP3 413 -17.432 -42.928 -35.841 1.00 0.00 WAT +ATOM 7550 OH2 TIP3 414 -11.724 -42.643 -35.156 1.00 0.00 WAT +ATOM 7551 H1 TIP3 414 -11.409 -42.627 -36.069 1.00 0.00 WAT +ATOM 7552 H2 TIP3 414 -11.879 -43.584 -34.989 1.00 0.00 WAT +ATOM 7553 OH2 TIP3 415 -10.673 -42.704 -39.150 1.00 0.00 WAT +ATOM 7554 H1 TIP3 415 -11.413 -42.149 -39.461 1.00 0.00 WAT +ATOM 7555 H2 TIP3 415 -11.036 -43.598 -39.194 1.00 0.00 WAT +ATOM 7556 OH2 TIP3 416 -22.950 -26.993 -39.600 1.00 0.00 WAT +ATOM 7557 H1 TIP3 416 -23.610 -26.976 -40.314 1.00 0.00 WAT +ATOM 7558 H2 TIP3 416 -22.821 -26.048 -39.460 1.00 0.00 WAT +ATOM 7559 OH2 TIP3 417 -21.285 -41.247 -42.232 1.00 0.00 WAT +ATOM 7560 H1 TIP3 417 -20.657 -41.633 -42.860 1.00 0.00 WAT +ATOM 7561 H2 TIP3 417 -20.696 -40.630 -41.761 1.00 0.00 WAT +ATOM 7562 OH2 TIP3 418 -16.072 -40.572 -39.850 1.00 0.00 WAT +ATOM 7563 H1 TIP3 418 -15.975 -41.419 -39.366 1.00 0.00 WAT +ATOM 7564 H2 TIP3 418 -15.848 -39.906 -39.171 1.00 0.00 WAT +ATOM 7565 OH2 TIP3 419 -14.140 -25.305 -41.467 1.00 0.00 WAT +ATOM 7566 H1 TIP3 419 -13.167 -25.184 -41.453 1.00 0.00 WAT +ATOM 7567 H2 TIP3 419 -14.224 -25.935 -42.210 1.00 0.00 WAT +ATOM 7568 OH2 TIP3 420 -7.487 -26.143 -38.803 1.00 0.00 WAT +ATOM 7569 H1 TIP3 420 -7.783 -26.968 -39.242 1.00 0.00 WAT +ATOM 7570 H2 TIP3 420 -7.710 -25.468 -39.481 1.00 0.00 WAT +ATOM 7571 OH2 TIP3 421 -22.161 -41.781 -27.324 1.00 0.00 WAT +ATOM 7572 H1 TIP3 421 -22.618 -42.567 -26.992 1.00 0.00 WAT +ATOM 7573 H2 TIP3 421 -21.278 -42.166 -27.438 1.00 0.00 WAT +ATOM 7574 OH2 TIP3 422 -19.230 -42.790 -24.674 1.00 0.00 WAT +ATOM 7575 H1 TIP3 422 -18.360 -43.053 -25.050 1.00 0.00 WAT +ATOM 7576 H2 TIP3 422 -19.455 -43.571 -24.156 1.00 0.00 WAT +ATOM 7577 OH2 TIP3 423 -20.503 -25.633 -41.950 1.00 0.00 WAT +ATOM 7578 H1 TIP3 423 -21.456 -25.650 -41.820 1.00 0.00 WAT +ATOM 7579 H2 TIP3 423 -20.330 -26.466 -42.391 1.00 0.00 WAT +ATOM 7580 OH2 TIP3 424 -8.089 -27.342 -26.410 1.00 0.00 WAT +ATOM 7581 H1 TIP3 424 -8.826 -27.536 -27.019 1.00 0.00 WAT +ATOM 7582 H2 TIP3 424 -8.268 -26.405 -26.203 1.00 0.00 WAT +ATOM 7583 OH2 TIP3 425 6.139 -33.663 -36.295 1.00 0.00 WAT +ATOM 7584 H1 TIP3 425 6.108 -32.701 -36.168 1.00 0.00 WAT +ATOM 7585 H2 TIP3 425 5.350 -33.814 -36.832 1.00 0.00 WAT +ATOM 7586 OH2 TIP3 426 4.965 -34.215 -33.205 1.00 0.00 WAT +ATOM 7587 H1 TIP3 426 4.968 -34.753 -32.397 1.00 0.00 WAT +ATOM 7588 H2 TIP3 426 4.621 -34.872 -33.838 1.00 0.00 WAT +ATOM 7589 OH2 TIP3 427 -2.489 -34.524 -31.708 1.00 0.00 WAT +ATOM 7590 H1 TIP3 427 -2.613 -35.262 -31.082 1.00 0.00 WAT +ATOM 7591 H2 TIP3 427 -1.876 -33.973 -31.194 1.00 0.00 WAT +ATOM 7592 OH2 TIP3 428 8.641 -31.475 -34.880 1.00 0.00 WAT +ATOM 7593 H1 TIP3 428 8.272 -32.198 -34.355 1.00 0.00 WAT +ATOM 7594 H2 TIP3 428 8.936 -30.872 -34.184 1.00 0.00 WAT +ATOM 7595 OH2 TIP3 429 -1.847 -30.143 -33.180 1.00 0.00 WAT +ATOM 7596 H1 TIP3 429 -2.126 -31.061 -33.227 1.00 0.00 WAT +ATOM 7597 H2 TIP3 429 -0.938 -30.225 -32.843 1.00 0.00 WAT +ATOM 7598 OH2 TIP3 430 -4.978 -36.581 -37.411 1.00 0.00 WAT +ATOM 7599 H1 TIP3 430 -5.353 -35.698 -37.556 1.00 0.00 WAT +ATOM 7600 H2 TIP3 430 -5.538 -37.133 -37.970 1.00 0.00 WAT +ATOM 7601 OH2 TIP3 431 5.692 -26.129 -34.315 1.00 0.00 WAT +ATOM 7602 H1 TIP3 431 6.278 -26.841 -34.633 1.00 0.00 WAT +ATOM 7603 H2 TIP3 431 5.437 -26.458 -33.443 1.00 0.00 WAT +ATOM 7604 OH2 TIP3 432 3.445 -31.707 -32.627 1.00 0.00 WAT +ATOM 7605 H1 TIP3 432 3.768 -32.434 -33.188 1.00 0.00 WAT +ATOM 7606 H2 TIP3 432 4.260 -31.553 -32.109 1.00 0.00 WAT +ATOM 7607 OH2 TIP3 433 12.015 -40.169 -32.070 1.00 0.00 WAT +ATOM 7608 H1 TIP3 433 12.338 -39.718 -31.274 1.00 0.00 WAT +ATOM 7609 H2 TIP3 433 12.668 -39.864 -32.725 1.00 0.00 WAT +ATOM 7610 OH2 TIP3 434 6.749 -37.389 -32.116 1.00 0.00 WAT +ATOM 7611 H1 TIP3 434 6.923 -38.346 -32.103 1.00 0.00 WAT +ATOM 7612 H2 TIP3 434 6.595 -37.242 -33.064 1.00 0.00 WAT +ATOM 7613 OH2 TIP3 435 7.574 -39.222 -36.719 1.00 0.00 WAT +ATOM 7614 H1 TIP3 435 8.149 -39.678 -36.071 1.00 0.00 WAT +ATOM 7615 H2 TIP3 435 8.234 -38.777 -37.271 1.00 0.00 WAT +ATOM 7616 OH2 TIP3 436 -3.468 -36.151 -34.572 1.00 0.00 WAT +ATOM 7617 H1 TIP3 436 -2.926 -36.835 -34.146 1.00 0.00 WAT +ATOM 7618 H2 TIP3 436 -3.615 -36.559 -35.448 1.00 0.00 WAT +ATOM 7619 OH2 TIP3 437 12.948 -38.475 -29.413 1.00 0.00 WAT +ATOM 7620 H1 TIP3 437 12.188 -37.970 -29.749 1.00 0.00 WAT +ATOM 7621 H2 TIP3 437 12.560 -38.905 -28.643 1.00 0.00 WAT +ATOM 7622 OH2 TIP3 438 -1.483 -40.488 -30.958 1.00 0.00 WAT +ATOM 7623 H1 TIP3 438 -1.767 -39.915 -31.692 1.00 0.00 WAT +ATOM 7624 H2 TIP3 438 -2.159 -40.276 -30.281 1.00 0.00 WAT +ATOM 7625 OH2 TIP3 439 5.994 -30.826 -37.489 1.00 0.00 WAT +ATOM 7626 H1 TIP3 439 5.708 -31.041 -38.379 1.00 0.00 WAT +ATOM 7627 H2 TIP3 439 5.566 -29.968 -37.325 1.00 0.00 WAT +ATOM 7628 OH2 TIP3 440 1.453 -32.702 -30.730 1.00 0.00 WAT +ATOM 7629 H1 TIP3 440 0.710 -32.095 -30.537 1.00 0.00 WAT +ATOM 7630 H2 TIP3 440 2.081 -32.122 -31.198 1.00 0.00 WAT +ATOM 7631 OH2 TIP3 441 9.516 -40.113 -34.694 1.00 0.00 WAT +ATOM 7632 H1 TIP3 441 9.035 -40.667 -34.065 1.00 0.00 WAT +ATOM 7633 H2 TIP3 441 9.969 -39.491 -34.100 1.00 0.00 WAT +ATOM 7634 OH2 TIP3 442 -1.595 -38.725 -33.236 1.00 0.00 WAT +ATOM 7635 H1 TIP3 442 -1.007 -38.056 -32.824 1.00 0.00 WAT +ATOM 7636 H2 TIP3 442 -1.131 -38.789 -34.089 1.00 0.00 WAT +ATOM 7637 OH2 TIP3 443 -0.621 -30.828 -30.164 1.00 0.00 WAT +ATOM 7638 H1 TIP3 443 -0.597 -29.867 -30.337 1.00 0.00 WAT +ATOM 7639 H2 TIP3 443 -1.431 -30.889 -29.622 1.00 0.00 WAT +ATOM 7640 OH2 TIP3 444 -4.273 -31.134 -39.136 1.00 0.00 WAT +ATOM 7641 H1 TIP3 444 -4.428 -30.760 -40.029 1.00 0.00 WAT +ATOM 7642 H2 TIP3 444 -4.114 -30.347 -38.578 1.00 0.00 WAT +ATOM 7643 OH2 TIP3 445 9.200 -29.678 -32.399 1.00 0.00 WAT +ATOM 7644 H1 TIP3 445 8.234 -29.551 -32.365 1.00 0.00 WAT +ATOM 7645 H2 TIP3 445 9.485 -28.815 -32.750 1.00 0.00 WAT +ATOM 7646 OH2 TIP3 446 9.632 -41.089 -30.650 1.00 0.00 WAT +ATOM 7647 H1 TIP3 446 8.820 -40.793 -31.096 1.00 0.00 WAT +ATOM 7648 H2 TIP3 446 10.284 -40.986 -31.368 1.00 0.00 WAT +ATOM 7649 OH2 TIP3 447 2.756 43.699 -33.275 1.00 0.00 WAT +ATOM 7650 H1 TIP3 447 2.716 42.856 -33.748 1.00 0.00 WAT +ATOM 7651 H2 TIP3 447 1.856 44.070 -33.332 1.00 0.00 WAT +ATOM 7652 OH2 TIP3 448 7.489 -27.729 -35.856 1.00 0.00 WAT +ATOM 7653 H1 TIP3 448 7.982 -28.529 -36.129 1.00 0.00 WAT +ATOM 7654 H2 TIP3 448 8.193 -27.052 -35.904 1.00 0.00 WAT +ATOM 7655 OH2 TIP3 449 8.954 -29.864 -37.192 1.00 0.00 WAT +ATOM 7656 H1 TIP3 449 8.452 -30.331 -37.873 1.00 0.00 WAT +ATOM 7657 H2 TIP3 449 8.911 -30.503 -36.453 1.00 0.00 WAT +ATOM 7658 OH2 TIP3 450 10.496 -31.048 -28.707 1.00 0.00 WAT +ATOM 7659 H1 TIP3 450 10.392 -31.693 -29.431 1.00 0.00 WAT +ATOM 7660 H2 TIP3 450 10.616 -30.212 -29.196 1.00 0.00 WAT +ATOM 7661 OH2 TIP3 451 4.796 -34.154 -39.056 1.00 0.00 WAT +ATOM 7662 H1 TIP3 451 4.131 -33.553 -39.436 1.00 0.00 WAT +ATOM 7663 H2 TIP3 451 5.531 -34.076 -39.683 1.00 0.00 WAT +ATOM 7664 OH2 TIP3 452 4.942 -35.912 -42.075 1.00 0.00 WAT +ATOM 7665 H1 TIP3 452 5.612 -35.623 -41.434 1.00 0.00 WAT +ATOM 7666 H2 TIP3 452 5.485 -36.524 -42.620 1.00 0.00 WAT +ATOM 7667 OH2 TIP3 453 12.257 -34.876 -30.767 1.00 0.00 WAT +ATOM 7668 H1 TIP3 453 11.527 -34.231 -30.682 1.00 0.00 WAT +ATOM 7669 H2 TIP3 453 12.725 -34.527 -31.550 1.00 0.00 WAT +ATOM 7670 OH2 TIP3 454 8.274 -34.154 -37.949 1.00 0.00 WAT +ATOM 7671 H1 TIP3 454 7.584 -33.942 -37.278 1.00 0.00 WAT +ATOM 7672 H2 TIP3 454 8.867 -34.717 -37.419 1.00 0.00 WAT +ATOM 7673 OH2 TIP3 455 8.115 -35.619 -29.102 1.00 0.00 WAT +ATOM 7674 H1 TIP3 455 8.163 -34.808 -28.571 1.00 0.00 WAT +ATOM 7675 H2 TIP3 455 7.460 -35.328 -29.762 1.00 0.00 WAT +ATOM 7676 OH2 TIP3 456 1.205 -30.009 -33.416 1.00 0.00 WAT +ATOM 7677 H1 TIP3 456 1.212 -30.362 -34.313 1.00 0.00 WAT +ATOM 7678 H2 TIP3 456 2.002 -30.432 -33.038 1.00 0.00 WAT +ATOM 7679 OH2 TIP3 457 0.281 -33.948 -33.136 1.00 0.00 WAT +ATOM 7680 H1 TIP3 457 0.811 -34.623 -33.612 1.00 0.00 WAT +ATOM 7681 H2 TIP3 457 0.781 -33.851 -32.305 1.00 0.00 WAT +ATOM 7682 OH2 TIP3 458 6.377 -29.042 -32.096 1.00 0.00 WAT +ATOM 7683 H1 TIP3 458 6.425 -28.375 -31.389 1.00 0.00 WAT +ATOM 7684 H2 TIP3 458 6.174 -29.865 -31.616 1.00 0.00 WAT +ATOM 7685 OH2 TIP3 459 1.295 -30.243 -27.832 1.00 0.00 WAT +ATOM 7686 H1 TIP3 459 0.796 -29.574 -27.330 1.00 0.00 WAT +ATOM 7687 H2 TIP3 459 0.652 -30.497 -28.515 1.00 0.00 WAT +ATOM 7688 OH2 TIP3 460 7.349 -34.674 -40.569 1.00 0.00 WAT +ATOM 7689 H1 TIP3 460 7.763 -34.426 -39.715 1.00 0.00 WAT +ATOM 7690 H2 TIP3 460 7.965 -34.255 -41.201 1.00 0.00 WAT +ATOM 7691 OH2 TIP3 461 -1.819 -33.779 -28.802 1.00 0.00 WAT +ATOM 7692 H1 TIP3 461 -1.721 -33.273 -27.975 1.00 0.00 WAT +ATOM 7693 H2 TIP3 461 -2.765 -33.998 -28.782 1.00 0.00 WAT +ATOM 7694 OH2 TIP3 462 4.610 -28.108 -36.921 1.00 0.00 WAT +ATOM 7695 H1 TIP3 462 5.175 -27.845 -36.182 1.00 0.00 WAT +ATOM 7696 H2 TIP3 462 4.208 -27.269 -37.192 1.00 0.00 WAT +ATOM 7697 OH2 TIP3 463 -0.604 -28.066 -27.024 1.00 0.00 WAT +ATOM 7698 H1 TIP3 463 -0.718 -28.019 -27.988 1.00 0.00 WAT +ATOM 7699 H2 TIP3 463 -1.485 -28.336 -26.704 1.00 0.00 WAT +ATOM 7700 OH2 TIP3 464 10.567 -43.384 -41.258 1.00 0.00 WAT +ATOM 7701 H1 TIP3 464 9.964 -43.298 -40.500 1.00 0.00 WAT +ATOM 7702 H2 TIP3 464 11.187 -42.668 -41.066 1.00 0.00 WAT +ATOM 7703 OH2 TIP3 465 -1.291 -34.318 -38.117 1.00 0.00 WAT +ATOM 7704 H1 TIP3 465 -1.350 -33.856 -38.966 1.00 0.00 WAT +ATOM 7705 H2 TIP3 465 -1.491 -35.239 -38.339 1.00 0.00 WAT +ATOM 7706 OH2 TIP3 466 11.830 -28.760 -42.527 1.00 0.00 WAT +ATOM 7707 H1 TIP3 466 12.066 -27.922 -42.101 1.00 0.00 WAT +ATOM 7708 H2 TIP3 466 12.598 -29.330 -42.353 1.00 0.00 WAT +ATOM 7709 OH2 TIP3 467 -5.102 -31.969 -29.942 1.00 0.00 WAT +ATOM 7710 H1 TIP3 467 -5.646 -31.959 -30.756 1.00 0.00 WAT +ATOM 7711 H2 TIP3 467 -5.043 -32.922 -29.742 1.00 0.00 WAT +ATOM 7712 OH2 TIP3 468 -5.100 -29.035 -32.977 1.00 0.00 WAT +ATOM 7713 H1 TIP3 468 -4.172 -29.291 -32.894 1.00 0.00 WAT +ATOM 7714 H2 TIP3 468 -5.193 -28.417 -32.237 1.00 0.00 WAT +ATOM 7715 OH2 TIP3 469 13.291 -28.423 -27.186 1.00 0.00 WAT +ATOM 7716 H1 TIP3 469 13.169 -29.372 -27.362 1.00 0.00 WAT +ATOM 7717 H2 TIP3 469 12.385 -28.170 -26.904 1.00 0.00 WAT +ATOM 7718 OH2 TIP3 470 3.933 -29.186 -28.404 1.00 0.00 WAT +ATOM 7719 H1 TIP3 470 4.022 -28.370 -27.871 1.00 0.00 WAT +ATOM 7720 H2 TIP3 470 3.039 -29.490 -28.153 1.00 0.00 WAT +ATOM 7721 OH2 TIP3 471 4.247 -25.401 -38.472 1.00 0.00 WAT +ATOM 7722 H1 TIP3 471 4.227 -25.270 -39.436 1.00 0.00 WAT +ATOM 7723 H2 TIP3 471 4.283 -24.491 -38.135 1.00 0.00 WAT +ATOM 7724 OH2 TIP3 472 -1.977 -26.276 -36.809 1.00 0.00 WAT +ATOM 7725 H1 TIP3 472 -1.808 -26.699 -35.944 1.00 0.00 WAT +ATOM 7726 H2 TIP3 472 -2.852 -26.629 -37.017 1.00 0.00 WAT +ATOM 7727 OH2 TIP3 473 7.303 -25.656 -41.016 1.00 0.00 WAT +ATOM 7728 H1 TIP3 473 7.796 -26.014 -41.767 1.00 0.00 WAT +ATOM 7729 H2 TIP3 473 7.481 -26.297 -40.298 1.00 0.00 WAT +ATOM 7730 OH2 TIP3 474 6.975 -26.728 -38.490 1.00 0.00 WAT +ATOM 7731 H1 TIP3 474 6.072 -26.421 -38.323 1.00 0.00 WAT +ATOM 7732 H2 TIP3 474 7.144 -27.268 -37.697 1.00 0.00 WAT +ATOM 7733 OH2 TIP3 475 10.090 -37.082 -26.803 1.00 0.00 WAT +ATOM 7734 H1 TIP3 475 9.565 -36.688 -27.513 1.00 0.00 WAT +ATOM 7735 H2 TIP3 475 10.148 -38.011 -27.092 1.00 0.00 WAT +ATOM 7736 OH2 TIP3 476 -2.964 -30.405 -28.652 1.00 0.00 WAT +ATOM 7737 H1 TIP3 476 -2.685 -30.876 -27.839 1.00 0.00 WAT +ATOM 7738 H2 TIP3 476 -3.676 -30.973 -28.998 1.00 0.00 WAT +ATOM 7739 OH2 TIP3 477 0.215 -42.162 -32.769 1.00 0.00 WAT +ATOM 7740 H1 TIP3 477 -0.612 -42.443 -33.185 1.00 0.00 WAT +ATOM 7741 H2 TIP3 477 -0.074 -41.368 -32.287 1.00 0.00 WAT +ATOM 7742 OH2 TIP3 478 4.828 -42.604 -29.149 1.00 0.00 WAT +ATOM 7743 H1 TIP3 478 4.983 -43.091 -28.335 1.00 0.00 WAT +ATOM 7744 H2 TIP3 478 3.886 -42.770 -29.294 1.00 0.00 WAT +ATOM 7745 OH2 TIP3 479 7.792 -38.632 -28.728 1.00 0.00 WAT +ATOM 7746 H1 TIP3 479 7.186 -38.753 -27.974 1.00 0.00 WAT +ATOM 7747 H2 TIP3 479 7.718 -37.682 -28.921 1.00 0.00 WAT +ATOM 7748 OH2 TIP3 480 9.575 -33.857 -42.530 1.00 0.00 WAT +ATOM 7749 H1 TIP3 480 9.118 -34.031 -43.366 1.00 0.00 WAT +ATOM 7750 H2 TIP3 480 9.869 -32.951 -42.702 1.00 0.00 WAT +ATOM 7751 OH2 TIP3 481 4.419 -39.973 -42.129 1.00 0.00 WAT +ATOM 7752 H1 TIP3 481 3.870 -39.947 -41.321 1.00 0.00 WAT +ATOM 7753 H2 TIP3 481 3.937 -40.646 -42.623 1.00 0.00 WAT +ATOM 7754 OH2 TIP3 482 0.048 -37.184 -31.463 1.00 0.00 WAT +ATOM 7755 H1 TIP3 482 -0.605 -37.030 -30.760 1.00 0.00 WAT +ATOM 7756 H2 TIP3 482 0.033 -36.362 -31.971 1.00 0.00 WAT +ATOM 7757 OH2 TIP3 483 5.695 -36.544 -37.851 1.00 0.00 WAT +ATOM 7758 H1 TIP3 483 5.284 -35.718 -38.176 1.00 0.00 WAT +ATOM 7759 H2 TIP3 483 6.322 -36.742 -38.565 1.00 0.00 WAT +ATOM 7760 OH2 TIP3 484 4.834 -36.319 -26.491 1.00 0.00 WAT +ATOM 7761 H1 TIP3 484 4.329 -37.066 -26.108 1.00 0.00 WAT +ATOM 7762 H2 TIP3 484 5.703 -36.427 -26.060 1.00 0.00 WAT +ATOM 7763 OH2 TIP3 485 6.507 -37.111 -35.044 1.00 0.00 WAT +ATOM 7764 H1 TIP3 485 6.206 -36.541 -35.778 1.00 0.00 WAT +ATOM 7765 H2 TIP3 485 6.687 -37.934 -35.537 1.00 0.00 WAT +ATOM 7766 OH2 TIP3 486 -2.591 -36.914 -29.718 1.00 0.00 WAT +ATOM 7767 H1 TIP3 486 -2.207 -36.671 -28.866 1.00 0.00 WAT +ATOM 7768 H2 TIP3 486 -2.964 -37.793 -29.507 1.00 0.00 WAT +ATOM 7769 OH2 TIP3 487 1.171 -39.582 -43.124 1.00 0.00 WAT +ATOM 7770 H1 TIP3 487 0.887 -39.845 -42.234 1.00 0.00 WAT +ATOM 7771 H2 TIP3 487 0.396 -39.079 -43.438 1.00 0.00 WAT +ATOM 7772 OH2 TIP3 488 -5.662 -39.501 -36.011 1.00 0.00 WAT +ATOM 7773 H1 TIP3 488 -5.120 -39.616 -35.208 1.00 0.00 WAT +ATOM 7774 H2 TIP3 488 -5.173 -39.973 -36.700 1.00 0.00 WAT +ATOM 7775 OH2 TIP3 489 -4.245 -39.172 -40.465 1.00 0.00 WAT +ATOM 7776 H1 TIP3 489 -3.542 -38.685 -40.927 1.00 0.00 WAT +ATOM 7777 H2 TIP3 489 -4.813 -38.452 -40.137 1.00 0.00 WAT +ATOM 7778 OH2 TIP3 490 5.599 -35.435 -30.575 1.00 0.00 WAT +ATOM 7779 H1 TIP3 490 6.027 -36.153 -31.096 1.00 0.00 WAT +ATOM 7780 H2 TIP3 490 5.272 -35.925 -29.808 1.00 0.00 WAT +ATOM 7781 OH2 TIP3 491 2.548 -39.670 -35.643 1.00 0.00 WAT +ATOM 7782 H1 TIP3 491 1.692 -39.249 -35.465 1.00 0.00 WAT +ATOM 7783 H2 TIP3 491 2.931 -39.754 -34.758 1.00 0.00 WAT +ATOM 7784 OH2 TIP3 492 -2.408 -37.988 -37.357 1.00 0.00 WAT +ATOM 7785 H1 TIP3 492 -3.357 -38.078 -37.241 1.00 0.00 WAT +ATOM 7786 H2 TIP3 492 -2.042 -38.889 -37.277 1.00 0.00 WAT +ATOM 7787 OH2 TIP3 493 0.868 -38.024 -39.330 1.00 0.00 WAT +ATOM 7788 H1 TIP3 493 1.677 -37.806 -38.843 1.00 0.00 WAT +ATOM 7789 H2 TIP3 493 0.667 -37.218 -39.816 1.00 0.00 WAT +ATOM 7790 OH2 TIP3 494 7.154 -40.306 -32.538 1.00 0.00 WAT +ATOM 7791 H1 TIP3 494 6.496 -40.347 -31.818 1.00 0.00 WAT +ATOM 7792 H2 TIP3 494 6.617 -40.650 -33.274 1.00 0.00 WAT +ATOM 7793 OH2 TIP3 495 -0.503 -36.634 -41.656 1.00 0.00 WAT +ATOM 7794 H1 TIP3 495 -0.993 -37.308 -42.153 1.00 0.00 WAT +ATOM 7795 H2 TIP3 495 0.347 -36.602 -42.117 1.00 0.00 WAT +ATOM 7796 OH2 TIP3 496 10.185 -24.541 -25.889 1.00 0.00 WAT +ATOM 7797 H1 TIP3 496 10.435 -24.093 -26.717 1.00 0.00 WAT +ATOM 7798 H2 TIP3 496 10.912 -24.264 -25.301 1.00 0.00 WAT +ATOM 7799 OH2 TIP3 497 -1.885 -31.943 -26.475 1.00 0.00 WAT +ATOM 7800 H1 TIP3 497 -1.206 -31.870 -25.772 1.00 0.00 WAT +ATOM 7801 H2 TIP3 497 -2.688 -31.963 -25.921 1.00 0.00 WAT +ATOM 7802 OH2 TIP3 498 3.877 -36.768 -33.736 1.00 0.00 WAT +ATOM 7803 H1 TIP3 498 4.450 -37.285 -34.315 1.00 0.00 WAT +ATOM 7804 H2 TIP3 498 3.541 -37.434 -33.114 1.00 0.00 WAT +ATOM 7805 OH2 TIP3 499 -1.000 -40.558 -37.300 1.00 0.00 WAT +ATOM 7806 H1 TIP3 499 -1.390 -41.444 -37.303 1.00 0.00 WAT +ATOM 7807 H2 TIP3 499 -0.177 -40.680 -37.787 1.00 0.00 WAT +ATOM 7808 OH2 TIP3 500 2.787 -38.445 -31.558 1.00 0.00 WAT +ATOM 7809 H1 TIP3 500 2.018 -37.853 -31.525 1.00 0.00 WAT +ATOM 7810 H2 TIP3 500 3.290 -38.197 -30.757 1.00 0.00 WAT +ATOM 7811 OH2 TIP3 501 2.895 -32.088 -39.568 1.00 0.00 WAT +ATOM 7812 H1 TIP3 501 2.146 -32.608 -39.924 1.00 0.00 WAT +ATOM 7813 H2 TIP3 501 2.725 -32.118 -38.600 1.00 0.00 WAT +ATOM 7814 OH2 TIP3 502 10.162 -32.934 -30.867 1.00 0.00 WAT +ATOM 7815 H1 TIP3 502 10.654 -32.391 -31.520 1.00 0.00 WAT +ATOM 7816 H2 TIP3 502 9.305 -33.050 -31.322 1.00 0.00 WAT +ATOM 7817 OH2 TIP3 503 7.112 -39.284 -41.933 1.00 0.00 WAT +ATOM 7818 H1 TIP3 503 6.138 -39.382 -41.857 1.00 0.00 WAT +ATOM 7819 H2 TIP3 503 7.328 -38.595 -41.271 1.00 0.00 WAT +ATOM 7820 OH2 TIP3 504 4.539 -32.095 -28.296 1.00 0.00 WAT +ATOM 7821 H1 TIP3 504 4.310 -32.408 -27.410 1.00 0.00 WAT +ATOM 7822 H2 TIP3 504 4.282 -31.162 -28.268 1.00 0.00 WAT +ATOM 7823 OH2 TIP3 505 7.708 -37.501 -39.905 1.00 0.00 WAT +ATOM 7824 H1 TIP3 505 8.555 -37.657 -39.439 1.00 0.00 WAT +ATOM 7825 H2 TIP3 505 7.846 -36.615 -40.287 1.00 0.00 WAT +ATOM 7826 OH2 TIP3 506 5.377 -30.756 -40.701 1.00 0.00 WAT +ATOM 7827 H1 TIP3 506 5.097 -29.875 -40.381 1.00 0.00 WAT +ATOM 7828 H2 TIP3 506 4.620 -31.295 -40.409 1.00 0.00 WAT +ATOM 7829 OH2 TIP3 507 -4.691 -34.426 -28.504 1.00 0.00 WAT +ATOM 7830 H1 TIP3 507 -4.510 -34.873 -27.652 1.00 0.00 WAT +ATOM 7831 H2 TIP3 507 -5.253 -35.070 -28.964 1.00 0.00 WAT +ATOM 7832 OH2 TIP3 508 2.299 -34.928 -26.565 1.00 0.00 WAT +ATOM 7833 H1 TIP3 508 2.019 -35.165 -27.465 1.00 0.00 WAT +ATOM 7834 H2 TIP3 508 3.232 -35.211 -26.595 1.00 0.00 WAT +ATOM 7835 OH2 TIP3 509 6.836 -29.505 -28.815 1.00 0.00 WAT +ATOM 7836 H1 TIP3 509 5.871 -29.405 -28.867 1.00 0.00 WAT +ATOM 7837 H2 TIP3 509 7.015 -29.240 -27.898 1.00 0.00 WAT +ATOM 7838 OH2 TIP3 510 12.433 -37.383 -40.022 1.00 0.00 WAT +ATOM 7839 H1 TIP3 510 11.770 -37.559 -40.716 1.00 0.00 WAT +ATOM 7840 H2 TIP3 510 12.543 -36.426 -40.169 1.00 0.00 WAT +ATOM 7841 OH2 TIP3 511 12.821 -31.407 -27.240 1.00 0.00 WAT +ATOM 7842 H1 TIP3 511 11.883 -31.188 -27.422 1.00 0.00 WAT +ATOM 7843 H2 TIP3 511 13.148 -31.578 -28.144 1.00 0.00 WAT +ATOM 7844 OH2 TIP3 512 10.684 -28.814 -39.904 1.00 0.00 WAT +ATOM 7845 H1 TIP3 512 10.359 -29.574 -39.400 1.00 0.00 WAT +ATOM 7846 H2 TIP3 512 10.942 -29.212 -40.749 1.00 0.00 WAT +ATOM 7847 OH2 TIP3 513 7.815 -33.498 -32.571 1.00 0.00 WAT +ATOM 7848 H1 TIP3 513 6.882 -33.662 -32.809 1.00 0.00 WAT +ATOM 7849 H2 TIP3 513 8.254 -34.226 -33.053 1.00 0.00 WAT +ATOM 7850 OH2 TIP3 514 0.419 -29.467 -36.543 1.00 0.00 WAT +ATOM 7851 H1 TIP3 514 0.919 -28.639 -36.631 1.00 0.00 WAT +ATOM 7852 H2 TIP3 514 -0.471 -29.170 -36.773 1.00 0.00 WAT +ATOM 7853 OH2 TIP3 515 -3.627 -34.074 -42.430 1.00 0.00 WAT +ATOM 7854 H1 TIP3 515 -3.038 -33.792 -41.702 1.00 0.00 WAT +ATOM 7855 H2 TIP3 515 -4.483 -34.130 -41.951 1.00 0.00 WAT +ATOM 7856 OH2 TIP3 516 2.077 -31.904 -36.856 1.00 0.00 WAT +ATOM 7857 H1 TIP3 516 1.795 -30.984 -36.728 1.00 0.00 WAT +ATOM 7858 H2 TIP3 516 1.351 -32.398 -36.465 1.00 0.00 WAT +ATOM 7859 OH2 TIP3 517 2.446 -27.471 -30.559 1.00 0.00 WAT +ATOM 7860 H1 TIP3 517 3.007 -26.719 -30.820 1.00 0.00 WAT +ATOM 7861 H2 TIP3 517 3.058 -27.969 -29.992 1.00 0.00 WAT +ATOM 7862 OH2 TIP3 518 0.891 -26.521 -37.340 1.00 0.00 WAT +ATOM 7863 H1 TIP3 518 -0.062 -26.361 -37.243 1.00 0.00 WAT +ATOM 7864 H2 TIP3 518 1.258 -25.655 -37.076 1.00 0.00 WAT +ATOM 7865 OH2 TIP3 519 5.855 -31.717 -30.986 1.00 0.00 WAT +ATOM 7866 H1 TIP3 519 5.576 -31.998 -30.096 1.00 0.00 WAT +ATOM 7867 H2 TIP3 519 6.590 -32.327 -31.165 1.00 0.00 WAT +ATOM 7868 OH2 TIP3 520 7.956 -30.294 -42.001 1.00 0.00 WAT +ATOM 7869 H1 TIP3 520 8.524 -30.718 -41.333 1.00 0.00 WAT +ATOM 7870 H2 TIP3 520 7.089 -30.478 -41.604 1.00 0.00 WAT +ATOM 7871 OH2 TIP3 521 8.803 -27.153 -28.592 1.00 0.00 WAT +ATOM 7872 H1 TIP3 521 8.041 -27.588 -29.019 1.00 0.00 WAT +ATOM 7873 H2 TIP3 521 8.916 -26.349 -29.132 1.00 0.00 WAT +ATOM 7874 OH2 TIP3 522 12.934 -25.984 -41.596 1.00 0.00 WAT +ATOM 7875 H1 TIP3 522 13.597 -25.277 -41.452 1.00 0.00 WAT +ATOM 7876 H2 TIP3 522 12.104 -25.505 -41.401 1.00 0.00 WAT +ATOM 7877 OH2 TIP3 523 -3.324 -39.600 -28.962 1.00 0.00 WAT +ATOM 7878 H1 TIP3 523 -4.248 -39.428 -29.244 1.00 0.00 WAT +ATOM 7879 H2 TIP3 523 -3.456 -40.457 -28.502 1.00 0.00 WAT +ATOM 7880 OH2 TIP3 524 8.993 -31.825 -39.688 1.00 0.00 WAT +ATOM 7881 H1 TIP3 524 8.730 -32.529 -39.068 1.00 0.00 WAT +ATOM 7882 H2 TIP3 524 9.965 -31.855 -39.606 1.00 0.00 WAT +ATOM 7883 OH2 TIP3 525 -3.565 -28.050 -30.506 1.00 0.00 WAT +ATOM 7884 H1 TIP3 525 -3.295 -28.948 -30.263 1.00 0.00 WAT +ATOM 7885 H2 TIP3 525 -3.381 -27.582 -29.682 1.00 0.00 WAT +ATOM 7886 OH2 TIP3 526 2.472 -29.392 -43.371 1.00 0.00 WAT +ATOM 7887 H1 TIP3 526 2.891 -30.231 -43.643 1.00 0.00 WAT +ATOM 7888 H2 TIP3 526 2.003 -29.671 -42.563 1.00 0.00 WAT +ATOM 7889 OH2 TIP3 527 1.043 -29.876 -40.754 1.00 0.00 WAT +ATOM 7890 H1 TIP3 527 1.599 -30.394 -40.152 1.00 0.00 WAT +ATOM 7891 H2 TIP3 527 1.255 -28.957 -40.494 1.00 0.00 WAT +ATOM 7892 OH2 TIP3 528 -2.088 -32.511 -40.434 1.00 0.00 WAT +ATOM 7893 H1 TIP3 528 -2.822 -32.147 -39.902 1.00 0.00 WAT +ATOM 7894 H2 TIP3 528 -1.593 -31.703 -40.639 1.00 0.00 WAT +ATOM 7895 OH2 TIP3 529 5.509 -40.036 -30.221 1.00 0.00 WAT +ATOM 7896 H1 TIP3 529 6.195 -39.821 -29.575 1.00 0.00 WAT +ATOM 7897 H2 TIP3 529 5.192 -40.910 -29.922 1.00 0.00 WAT +ATOM 7898 OH2 TIP3 530 6.400 -40.502 -39.229 1.00 0.00 WAT +ATOM 7899 H1 TIP3 530 6.557 -39.854 -39.929 1.00 0.00 WAT +ATOM 7900 H2 TIP3 530 6.696 -40.020 -38.441 1.00 0.00 WAT +ATOM 7901 OH2 TIP3 531 3.987 -28.270 -40.305 1.00 0.00 WAT +ATOM 7902 H1 TIP3 531 3.250 -27.717 -40.004 1.00 0.00 WAT +ATOM 7903 H2 TIP3 531 4.559 -27.609 -40.713 1.00 0.00 WAT +ATOM 7904 OH2 TIP3 532 3.642 -38.545 -38.051 1.00 0.00 WAT +ATOM 7905 H1 TIP3 532 4.382 -37.931 -37.877 1.00 0.00 WAT +ATOM 7906 H2 TIP3 532 3.266 -38.684 -37.163 1.00 0.00 WAT +ATOM 7907 OH2 TIP3 533 4.005 -37.586 -28.994 1.00 0.00 WAT +ATOM 7908 H1 TIP3 533 4.134 -37.113 -28.154 1.00 0.00 WAT +ATOM 7909 H2 TIP3 533 4.553 -38.374 -28.874 1.00 0.00 WAT +ATOM 7910 OH2 TIP3 534 4.396 -41.656 -37.142 1.00 0.00 WAT +ATOM 7911 H1 TIP3 534 4.086 -40.900 -36.622 1.00 0.00 WAT +ATOM 7912 H2 TIP3 534 4.961 -41.244 -37.815 1.00 0.00 WAT +ATOM 7913 OH2 TIP3 535 1.172 -27.062 -40.260 1.00 0.00 WAT +ATOM 7914 H1 TIP3 535 1.271 -26.210 -40.735 1.00 0.00 WAT +ATOM 7915 H2 TIP3 535 1.094 -26.772 -39.332 1.00 0.00 WAT +ATOM 7916 OH2 TIP3 536 -0.110 -40.349 -40.571 1.00 0.00 WAT +ATOM 7917 H1 TIP3 536 -0.077 -39.530 -40.032 1.00 0.00 WAT +ATOM 7918 H2 TIP3 536 0.745 -40.736 -40.305 1.00 0.00 WAT +ATOM 7919 OH2 TIP3 537 10.407 -39.633 -28.185 1.00 0.00 WAT +ATOM 7920 H1 TIP3 537 9.439 -39.520 -28.263 1.00 0.00 WAT +ATOM 7921 H2 TIP3 537 10.588 -39.897 -29.099 1.00 0.00 WAT +ATOM 7922 OH2 TIP3 538 8.815 -35.744 -34.099 1.00 0.00 WAT +ATOM 7923 H1 TIP3 538 7.984 -36.195 -34.342 1.00 0.00 WAT +ATOM 7924 H2 TIP3 538 9.297 -36.457 -33.622 1.00 0.00 WAT +ATOM 7925 OH2 TIP3 539 -1.657 -29.552 -41.784 1.00 0.00 WAT +ATOM 7926 H1 TIP3 539 -0.968 -29.146 -41.235 1.00 0.00 WAT +ATOM 7927 H2 TIP3 539 -1.121 -30.205 -42.268 1.00 0.00 WAT +ATOM 7928 OH2 TIP3 540 -3.357 -37.325 -42.705 1.00 0.00 WAT +ATOM 7929 H1 TIP3 540 -3.274 -36.444 -42.320 1.00 0.00 WAT +ATOM 7930 H2 TIP3 540 -4.312 -37.444 -42.819 1.00 0.00 WAT +ATOM 7931 OH2 TIP3 541 9.838 -26.903 -32.715 1.00 0.00 WAT +ATOM 7932 H1 TIP3 541 9.674 -26.065 -33.192 1.00 0.00 WAT +ATOM 7933 H2 TIP3 541 10.760 -26.767 -32.443 1.00 0.00 WAT +ATOM 7934 OH2 TIP3 542 -3.378 -42.428 -33.566 1.00 0.00 WAT +ATOM 7935 H1 TIP3 542 -2.941 -42.418 -34.427 1.00 0.00 WAT +ATOM 7936 H2 TIP3 542 -3.143 -43.328 -33.284 1.00 0.00 WAT +ATOM 7937 OH2 TIP3 543 -3.680 -28.879 -37.461 1.00 0.00 WAT +ATOM 7938 H1 TIP3 543 -4.464 -28.362 -37.236 1.00 0.00 WAT +ATOM 7939 H2 TIP3 543 -3.278 -28.349 -38.163 1.00 0.00 WAT +ATOM 7940 OH2 TIP3 544 -4.251 -25.986 -26.288 1.00 0.00 WAT +ATOM 7941 H1 TIP3 544 -3.675 -26.261 -25.548 1.00 0.00 WAT +ATOM 7942 H2 TIP3 544 -4.644 -26.838 -26.562 1.00 0.00 WAT +ATOM 7943 OH2 TIP3 545 0.361 -26.949 -24.493 1.00 0.00 WAT +ATOM 7944 H1 TIP3 545 1.116 -27.520 -24.283 1.00 0.00 WAT +ATOM 7945 H2 TIP3 545 0.205 -27.187 -25.422 1.00 0.00 WAT +ATOM 7946 OH2 TIP3 546 4.679 -27.571 -43.304 1.00 0.00 WAT +ATOM 7947 H1 TIP3 546 3.865 -28.111 -43.258 1.00 0.00 WAT +ATOM 7948 H2 TIP3 546 5.317 -28.255 -43.560 1.00 0.00 WAT +ATOM 7949 OH2 TIP3 547 6.907 -28.651 -25.919 1.00 0.00 WAT +ATOM 7950 H1 TIP3 547 6.542 -29.469 -25.539 1.00 0.00 WAT +ATOM 7951 H2 TIP3 547 7.606 -28.420 -25.280 1.00 0.00 WAT +ATOM 7952 OH2 TIP3 548 8.669 -28.225 42.831 1.00 0.00 WAT +ATOM 7953 H1 TIP3 548 8.557 -28.677 43.677 1.00 0.00 WAT +ATOM 7954 H2 TIP3 548 9.577 -27.914 42.854 1.00 0.00 WAT +ATOM 7955 OH2 TIP3 549 -4.289 -32.357 -25.154 1.00 0.00 WAT +ATOM 7956 H1 TIP3 549 -4.199 -33.262 -25.495 1.00 0.00 WAT +ATOM 7957 H2 TIP3 549 -5.064 -32.051 -25.664 1.00 0.00 WAT +ATOM 7958 OH2 TIP3 550 -0.468 -31.872 -43.111 1.00 0.00 WAT +ATOM 7959 H1 TIP3 550 -0.011 -32.445 -42.474 1.00 0.00 WAT +ATOM 7960 H2 TIP3 550 0.219 -31.755 -43.796 1.00 0.00 WAT +ATOM 7961 OH2 TIP3 551 2.284 -32.165 -25.806 1.00 0.00 WAT +ATOM 7962 H1 TIP3 551 2.037 -31.838 -26.687 1.00 0.00 WAT +ATOM 7963 H2 TIP3 551 2.403 -33.125 -25.961 1.00 0.00 WAT +ATOM 7964 OH2 TIP3 552 5.270 -30.750 -43.471 1.00 0.00 WAT +ATOM 7965 H1 TIP3 552 5.416 -30.654 -42.512 1.00 0.00 WAT +ATOM 7966 H2 TIP3 552 5.897 -31.447 -43.712 1.00 0.00 WAT +ATOM 7967 OH2 TIP3 553 7.694 -32.532 -28.438 1.00 0.00 WAT +ATOM 7968 H1 TIP3 553 8.490 -32.012 -28.625 1.00 0.00 WAT +ATOM 7969 H2 TIP3 553 7.012 -31.842 -28.456 1.00 0.00 WAT +ATOM 7970 OH2 TIP3 554 -3.426 -35.209 -26.010 1.00 0.00 WAT +ATOM 7971 H1 TIP3 554 -2.693 -35.850 -26.007 1.00 0.00 WAT +ATOM 7972 H2 TIP3 554 -3.505 -35.030 -25.059 1.00 0.00 WAT +ATOM 7973 OH2 TIP3 555 0.980 -33.857 -40.838 1.00 0.00 WAT +ATOM 7974 H1 TIP3 555 0.465 -34.389 -40.220 1.00 0.00 WAT +ATOM 7975 H2 TIP3 555 1.332 -34.540 -41.439 1.00 0.00 WAT +ATOM 7976 OH2 TIP3 556 0.166 -36.110 -28.611 1.00 0.00 WAT +ATOM 7977 H1 TIP3 556 -0.268 -35.287 -28.335 1.00 0.00 WAT +ATOM 7978 H2 TIP3 556 0.876 -35.774 -29.190 1.00 0.00 WAT +ATOM 7979 OH2 TIP3 557 2.153 -35.659 -42.813 1.00 0.00 WAT +ATOM 7980 H1 TIP3 557 2.248 -35.968 -43.728 1.00 0.00 WAT +ATOM 7981 H2 TIP3 557 3.088 -35.724 -42.517 1.00 0.00 WAT +ATOM 7982 OH2 TIP3 558 5.509 -33.379 -25.020 1.00 0.00 WAT +ATOM 7983 H1 TIP3 558 6.420 -33.562 -25.297 1.00 0.00 WAT +ATOM 7984 H2 TIP3 558 5.275 -34.209 -24.579 1.00 0.00 WAT +ATOM 7985 OH2 TIP3 559 0.789 -38.801 -27.452 1.00 0.00 WAT +ATOM 7986 H1 TIP3 559 0.893 -39.458 -28.161 1.00 0.00 WAT +ATOM 7987 H2 TIP3 559 0.608 -37.992 -27.962 1.00 0.00 WAT +ATOM 7988 OH2 TIP3 560 1.186 -40.365 -30.032 1.00 0.00 WAT +ATOM 7989 H1 TIP3 560 1.722 -39.828 -30.650 1.00 0.00 WAT +ATOM 7990 H2 TIP3 560 0.283 -40.253 -30.390 1.00 0.00 WAT +ATOM 7991 OH2 TIP3 561 2.654 -34.890 -29.561 1.00 0.00 WAT +ATOM 7992 H1 TIP3 561 3.507 -34.989 -30.012 1.00 0.00 WAT +ATOM 7993 H2 TIP3 561 2.387 -33.997 -29.859 1.00 0.00 WAT +ATOM 7994 OH2 TIP3 562 7.261 -36.943 -24.799 1.00 0.00 WAT +ATOM 7995 H1 TIP3 562 7.465 -37.874 -24.612 1.00 0.00 WAT +ATOM 7996 H2 TIP3 562 8.147 -36.549 -24.808 1.00 0.00 WAT +ATOM 7997 OH2 TIP3 563 8.243 -34.152 -26.302 1.00 0.00 WAT +ATOM 7998 H1 TIP3 563 7.897 -33.537 -26.982 1.00 0.00 WAT +ATOM 7999 H2 TIP3 563 9.138 -34.309 -26.663 1.00 0.00 WAT +ATOM 8000 OH2 TIP3 564 -0.990 -36.950 -25.644 1.00 0.00 WAT +ATOM 8001 H1 TIP3 564 -1.498 -37.779 -25.620 1.00 0.00 WAT +ATOM 8002 H2 TIP3 564 -0.168 -37.245 -26.066 1.00 0.00 WAT +ATOM 8003 OH2 TIP3 565 1.729 -42.764 -28.718 1.00 0.00 WAT +ATOM 8004 H1 TIP3 565 1.749 -41.878 -29.137 1.00 0.00 WAT +ATOM 8005 H2 TIP3 565 0.963 -43.150 -29.166 1.00 0.00 WAT +ATOM 8006 OH2 TIP3 566 3.137 -38.428 -25.851 1.00 0.00 WAT +ATOM 8007 H1 TIP3 566 2.837 -38.712 -24.970 1.00 0.00 WAT +ATOM 8008 H2 TIP3 566 2.335 -38.637 -26.372 1.00 0.00 WAT +ATOM 8009 OH2 TIP3 567 5.747 -39.438 -26.861 1.00 0.00 WAT +ATOM 8010 H1 TIP3 567 4.850 -39.308 -26.504 1.00 0.00 WAT +ATOM 8011 H2 TIP3 567 6.112 -40.095 -26.243 1.00 0.00 WAT +ATOM 8012 OH2 TIP3 568 7.471 -41.357 -25.170 1.00 0.00 WAT +ATOM 8013 H1 TIP3 568 7.295 -42.227 -24.794 1.00 0.00 WAT +ATOM 8014 H2 TIP3 568 7.313 -40.760 -24.419 1.00 0.00 WAT +ATOM 8015 OH2 TIP3 569 -2.203 -39.583 -25.746 1.00 0.00 WAT +ATOM 8016 H1 TIP3 569 -2.441 -40.202 -26.459 1.00 0.00 WAT +ATOM 8017 H2 TIP3 569 -2.633 -39.989 -24.977 1.00 0.00 WAT +ATOM 8018 OH2 TIP3 570 2.759 -41.457 -24.755 1.00 0.00 WAT +ATOM 8019 H1 TIP3 570 2.545 -42.288 -25.218 1.00 0.00 WAT +ATOM 8020 H2 TIP3 570 1.904 -41.001 -24.715 1.00 0.00 WAT +ATOM 8021 OH2 TIP3 571 1.775 -24.629 -41.735 1.00 0.00 WAT +ATOM 8022 H1 TIP3 571 2.728 -24.480 -41.606 1.00 0.00 WAT +ATOM 8023 H2 TIP3 571 1.539 -23.973 -42.410 1.00 0.00 WAT +ATOM 8024 OH2 TIP3 572 -4.343 -30.620 -41.848 1.00 0.00 WAT +ATOM 8025 H1 TIP3 572 -3.509 -30.134 -41.984 1.00 0.00 WAT +ATOM 8026 H2 TIP3 572 -4.665 -30.790 -42.749 1.00 0.00 WAT +ATOM 8027 OH2 TIP3 573 -5.337 -25.028 -37.214 1.00 0.00 WAT +ATOM 8028 H1 TIP3 573 -6.070 -25.374 -37.764 1.00 0.00 WAT +ATOM 8029 H2 TIP3 573 -5.300 -25.694 -36.499 1.00 0.00 WAT +ATOM 8030 OH2 TIP3 574 -4.973 -26.993 -35.202 1.00 0.00 WAT +ATOM 8031 H1 TIP3 574 -5.289 -27.853 -34.879 1.00 0.00 WAT +ATOM 8032 H2 TIP3 574 -4.639 -26.626 -34.368 1.00 0.00 WAT +ATOM 8033 OH2 TIP3 575 12.565 -25.777 -32.206 1.00 0.00 WAT +ATOM 8034 H1 TIP3 575 12.668 -25.690 -31.245 1.00 0.00 WAT +ATOM 8035 H2 TIP3 575 13.398 -25.394 -32.510 1.00 0.00 WAT +ATOM 8036 OH2 TIP3 576 12.429 -26.269 -29.309 1.00 0.00 WAT +ATOM 8037 H1 TIP3 576 11.942 -27.034 -29.668 1.00 0.00 WAT +ATOM 8038 H2 TIP3 576 13.006 -26.714 -28.670 1.00 0.00 WAT +ATOM 8039 OH2 TIP3 577 10.454 -30.848 -25.029 1.00 0.00 WAT +ATOM 8040 H1 TIP3 577 9.572 -30.774 -24.626 1.00 0.00 WAT +ATOM 8041 H2 TIP3 577 10.904 -30.046 -24.715 1.00 0.00 WAT +ATOM 8042 OH2 TIP3 578 11.850 -32.020 -39.303 1.00 0.00 WAT +ATOM 8043 H1 TIP3 578 12.746 -31.660 -39.162 1.00 0.00 WAT +ATOM 8044 H2 TIP3 578 11.803 -32.653 -38.562 1.00 0.00 WAT +ATOM 8045 OH2 TIP3 579 12.313 -34.018 -37.324 1.00 0.00 WAT +ATOM 8046 H1 TIP3 579 11.633 -34.559 -36.874 1.00 0.00 WAT +ATOM 8047 H2 TIP3 579 12.985 -33.875 -36.629 1.00 0.00 WAT +ATOM 8048 OH2 TIP3 580 12.034 -31.489 -32.339 1.00 0.00 WAT +ATOM 8049 H1 TIP3 580 12.662 -31.975 -32.895 1.00 0.00 WAT +ATOM 8050 H2 TIP3 580 12.168 -30.573 -32.637 1.00 0.00 WAT +ATOM 8051 OH2 TIP3 581 10.752 -28.579 -30.098 1.00 0.00 WAT +ATOM 8052 H1 TIP3 581 10.029 -28.168 -29.591 1.00 0.00 WAT +ATOM 8053 H2 TIP3 581 10.281 -28.940 -30.874 1.00 0.00 WAT +ATOM 8054 OH2 TIP3 582 12.583 -34.341 -41.085 1.00 0.00 WAT +ATOM 8055 H1 TIP3 582 11.963 -34.028 -41.763 1.00 0.00 WAT +ATOM 8056 H2 TIP3 582 12.411 -33.684 -40.390 1.00 0.00 WAT +ATOM 8057 OH2 TIP3 583 10.775 -36.964 -42.189 1.00 0.00 WAT +ATOM 8058 H1 TIP3 583 11.103 -36.206 -42.702 1.00 0.00 WAT +ATOM 8059 H2 TIP3 583 11.227 -37.702 -42.606 1.00 0.00 WAT +ATOM 8060 OH2 TIP3 584 10.252 -35.851 -36.496 1.00 0.00 WAT +ATOM 8061 H1 TIP3 584 10.157 -36.801 -36.669 1.00 0.00 WAT +ATOM 8062 H2 TIP3 584 9.859 -35.765 -35.603 1.00 0.00 WAT +ATOM 8063 OH2 TIP3 585 -4.710 -33.626 -33.216 1.00 0.00 WAT +ATOM 8064 H1 TIP3 585 -4.564 -34.257 -33.931 1.00 0.00 WAT +ATOM 8065 H2 TIP3 585 -4.007 -33.885 -32.587 1.00 0.00 WAT +ATOM 8066 OH2 TIP3 586 10.853 -33.928 -27.363 1.00 0.00 WAT +ATOM 8067 H1 TIP3 586 11.586 -34.547 -27.185 1.00 0.00 WAT +ATOM 8068 H2 TIP3 586 11.316 -33.097 -27.537 1.00 0.00 WAT +ATOM 8069 OH2 TIP3 587 12.412 -35.834 -26.157 1.00 0.00 WAT +ATOM 8070 H1 TIP3 587 11.615 -36.363 -26.376 1.00 0.00 WAT +ATOM 8071 H2 TIP3 587 13.102 -36.523 -26.160 1.00 0.00 WAT +ATOM 8072 OH2 TIP3 588 10.048 -40.282 -43.405 1.00 0.00 WAT +ATOM 8073 H1 TIP3 588 10.621 -40.430 -42.643 1.00 0.00 WAT +ATOM 8074 H2 TIP3 588 9.155 -40.453 -43.068 1.00 0.00 WAT +ATOM 8075 OH2 TIP3 589 10.019 -38.263 -38.368 1.00 0.00 WAT +ATOM 8076 H1 TIP3 589 10.215 -39.225 -38.275 1.00 0.00 WAT +ATOM 8077 H2 TIP3 589 10.867 -37.943 -38.713 1.00 0.00 WAT +ATOM 8078 OH2 TIP3 590 10.342 -37.730 -32.920 1.00 0.00 WAT +ATOM 8079 H1 TIP3 590 11.319 -37.679 -32.921 1.00 0.00 WAT +ATOM 8080 H2 TIP3 590 10.180 -37.770 -31.962 1.00 0.00 WAT +ATOM 8081 OH2 TIP3 591 10.490 -37.065 -30.060 1.00 0.00 WAT +ATOM 8082 H1 TIP3 591 9.643 -36.655 -29.802 1.00 0.00 WAT +ATOM 8083 H2 TIP3 591 11.032 -36.284 -30.277 1.00 0.00 WAT +ATOM 8084 OH2 TIP3 592 -5.048 -38.351 -26.264 1.00 0.00 WAT +ATOM 8085 H1 TIP3 592 -4.126 -38.588 -26.441 1.00 0.00 WAT +ATOM 8086 H2 TIP3 592 -5.489 -39.215 -26.304 1.00 0.00 WAT +ATOM 8087 OH2 TIP3 593 12.622 -42.810 -24.299 1.00 0.00 WAT +ATOM 8088 H1 TIP3 593 13.160 -43.571 -24.537 1.00 0.00 WAT +ATOM 8089 H2 TIP3 593 12.652 -42.196 -25.068 1.00 0.00 WAT +ATOM 8090 OH2 TIP3 594 10.373 -40.974 -38.241 1.00 0.00 WAT +ATOM 8091 H1 TIP3 594 10.562 -41.475 -37.436 1.00 0.00 WAT +ATOM 8092 H2 TIP3 594 9.756 -41.580 -38.692 1.00 0.00 WAT +ATOM 8093 OH2 TIP3 595 -4.267 -39.887 -33.567 1.00 0.00 WAT +ATOM 8094 H1 TIP3 595 -4.004 -40.833 -33.474 1.00 0.00 WAT +ATOM 8095 H2 TIP3 595 -3.434 -39.446 -33.326 1.00 0.00 WAT +ATOM 8096 OH2 TIP3 596 -5.667 -37.264 -32.591 1.00 0.00 WAT +ATOM 8097 H1 TIP3 596 -5.083 -37.375 -33.349 1.00 0.00 WAT +ATOM 8098 H2 TIP3 596 -5.268 -36.530 -32.111 1.00 0.00 WAT +ATOM 8099 OH2 TIP3 597 12.439 -41.126 -26.443 1.00 0.00 WAT +ATOM 8100 H1 TIP3 597 11.592 -40.648 -26.353 1.00 0.00 WAT +ATOM 8101 H2 TIP3 597 12.329 -41.472 -27.346 1.00 0.00 WAT +ATOM 8102 OH2 TIP3 598 12.567 -40.719 -41.744 1.00 0.00 WAT +ATOM 8103 H1 TIP3 598 12.815 -41.465 -42.301 1.00 0.00 WAT +ATOM 8104 H2 TIP3 598 13.384 -40.196 -41.713 1.00 0.00 WAT +ATOM 8105 OH2 TIP3 599 -5.161 -40.972 -38.497 1.00 0.00 WAT +ATOM 8106 H1 TIP3 599 -6.103 -40.953 -38.734 1.00 0.00 WAT +ATOM 8107 H2 TIP3 599 -4.763 -40.336 -39.124 1.00 0.00 WAT +ATOM 8108 OH2 TIP3 600 9.421 -25.710 -36.416 1.00 0.00 WAT +ATOM 8109 H1 TIP3 600 9.929 -25.966 -37.202 1.00 0.00 WAT +ATOM 8110 H2 TIP3 600 10.097 -25.310 -35.856 1.00 0.00 WAT +ATOM 8111 OH2 TIP3 601 -5.408 -41.251 -30.005 1.00 0.00 WAT +ATOM 8112 H1 TIP3 601 -5.396 -42.183 -29.708 1.00 0.00 WAT +ATOM 8113 H2 TIP3 601 -5.540 -41.369 -30.953 1.00 0.00 WAT +ATOM 8114 OH2 TIP3 602 -3.160 -29.005 -25.654 1.00 0.00 WAT +ATOM 8115 H1 TIP3 602 -3.871 -28.991 -26.311 1.00 0.00 WAT +ATOM 8116 H2 TIP3 602 -3.642 -28.951 -24.821 1.00 0.00 WAT +ATOM 8117 OH2 TIP3 603 -0.309 -27.999 -30.008 1.00 0.00 WAT +ATOM 8118 H1 TIP3 603 -0.621 -27.140 -30.342 1.00 0.00 WAT +ATOM 8119 H2 TIP3 603 0.651 -27.893 -30.172 1.00 0.00 WAT +ATOM 8120 OH2 TIP3 604 4.190 -26.680 -26.981 1.00 0.00 WAT +ATOM 8121 H1 TIP3 604 4.350 -26.848 -26.037 1.00 0.00 WAT +ATOM 8122 H2 TIP3 604 5.019 -26.226 -27.239 1.00 0.00 WAT +ATOM 8123 OH2 TIP3 605 6.472 -25.229 -27.746 1.00 0.00 WAT +ATOM 8124 H1 TIP3 605 7.174 -25.859 -27.967 1.00 0.00 WAT +ATOM 8125 H2 TIP3 605 6.781 -24.904 -26.877 1.00 0.00 WAT +ATOM 8126 OH2 TIP3 606 11.077 -42.763 -28.542 1.00 0.00 WAT +ATOM 8127 H1 TIP3 606 10.562 -42.146 -29.092 1.00 0.00 WAT +ATOM 8128 H2 TIP3 606 11.256 -43.452 -29.203 1.00 0.00 WAT +ATOM 8129 OH2 TIP3 607 -2.962 -25.047 -29.664 1.00 0.00 WAT +ATOM 8130 H1 TIP3 607 -3.540 -24.396 -30.102 1.00 0.00 WAT +ATOM 8131 H2 TIP3 607 -3.269 -24.968 -28.753 1.00 0.00 WAT +ATOM 8132 OH2 TIP3 608 -0.458 -25.263 -31.122 1.00 0.00 WAT +ATOM 8133 H1 TIP3 608 -1.302 -25.053 -30.677 1.00 0.00 WAT +ATOM 8134 H2 TIP3 608 -0.402 -24.561 -31.796 1.00 0.00 WAT +ATOM 8135 OH2 TIP3 609 4.285 -25.259 -31.550 1.00 0.00 WAT +ATOM 8136 H1 TIP3 609 3.935 -24.793 -32.329 1.00 0.00 WAT +ATOM 8137 H2 TIP3 609 4.394 -24.521 -30.919 1.00 0.00 WAT +ATOM 8138 OH2 TIP3 610 6.639 -26.542 -30.644 1.00 0.00 WAT +ATOM 8139 H1 TIP3 610 5.795 -26.170 -30.961 1.00 0.00 WAT +ATOM 8140 H2 TIP3 610 7.209 -25.758 -30.643 1.00 0.00 WAT +ATOM 8141 OH2 TIP3 611 9.153 -24.818 -30.434 1.00 0.00 WAT +ATOM 8142 H1 TIP3 611 9.141 -23.857 -30.619 1.00 0.00 WAT +ATOM 8143 H2 TIP3 611 9.463 -25.159 -31.288 1.00 0.00 WAT +ATOM 8144 OH2 TIP3 612 -3.367 -26.237 -32.726 1.00 0.00 WAT +ATOM 8145 H1 TIP3 612 -3.379 -26.705 -31.864 1.00 0.00 WAT +ATOM 8146 H2 TIP3 612 -2.593 -26.662 -33.147 1.00 0.00 WAT +ATOM 8147 OH2 TIP3 613 -1.348 -27.524 -34.249 1.00 0.00 WAT +ATOM 8148 H1 TIP3 613 -1.465 -28.466 -34.006 1.00 0.00 WAT +ATOM 8149 H2 TIP3 613 -0.435 -27.352 -33.942 1.00 0.00 WAT +ATOM 8150 OH2 TIP3 614 1.385 -27.024 -33.393 1.00 0.00 WAT +ATOM 8151 H1 TIP3 614 1.623 -27.942 -33.605 1.00 0.00 WAT +ATOM 8152 H2 TIP3 614 1.489 -27.032 -32.427 1.00 0.00 WAT +ATOM 8153 OH2 TIP3 615 4.761 -41.150 -34.120 1.00 0.00 WAT +ATOM 8154 H1 TIP3 615 4.160 -41.834 -33.776 1.00 0.00 WAT +ATOM 8155 H2 TIP3 615 5.305 -41.661 -34.737 1.00 0.00 WAT +ATOM 8156 OH2 TIP3 616 9.940 -43.260 -33.596 1.00 0.00 WAT +ATOM 8157 H1 TIP3 616 10.537 -42.914 -34.278 1.00 0.00 WAT +ATOM 8158 H2 TIP3 616 9.069 -43.165 -34.020 1.00 0.00 WAT +ATOM 8159 OH2 TIP3 617 12.049 -42.282 -35.791 1.00 0.00 WAT +ATOM 8160 H1 TIP3 617 12.457 -42.451 -36.646 1.00 0.00 WAT +ATOM 8161 H2 TIP3 617 12.111 -41.317 -35.703 1.00 0.00 WAT +ATOM 8162 OH2 TIP3 618 -2.962 -42.813 -36.827 1.00 0.00 WAT +ATOM 8163 H1 TIP3 618 -3.860 -43.118 -36.990 1.00 0.00 WAT +ATOM 8164 H2 TIP3 618 -2.528 -43.593 -36.471 1.00 0.00 WAT +ATOM 8165 OH2 TIP3 619 -4.339 -42.821 -40.670 1.00 0.00 WAT +ATOM 8166 H1 TIP3 619 -3.821 -42.321 -41.332 1.00 0.00 WAT +ATOM 8167 H2 TIP3 619 -4.666 -42.106 -40.103 1.00 0.00 WAT +ATOM 8168 OH2 TIP3 620 1.707 -42.751 -36.740 1.00 0.00 WAT +ATOM 8169 H1 TIP3 620 2.590 -42.344 -36.724 1.00 0.00 WAT +ATOM 8170 H2 TIP3 620 1.497 -42.846 -35.810 1.00 0.00 WAT +ATOM 8171 OH2 TIP3 621 7.304 -42.722 -35.170 1.00 0.00 WAT +ATOM 8172 H1 TIP3 621 7.216 -42.702 -36.126 1.00 0.00 WAT +ATOM 8173 H2 TIP3 621 6.864 -43.585 -34.983 1.00 0.00 WAT +ATOM 8174 OH2 TIP3 622 8.258 -42.742 -39.324 1.00 0.00 WAT +ATOM 8175 H1 TIP3 622 7.480 -42.164 -39.457 1.00 0.00 WAT +ATOM 8176 H2 TIP3 622 7.853 -43.563 -39.003 1.00 0.00 WAT +ATOM 8177 OH2 TIP3 623 -4.014 -26.966 -39.659 1.00 0.00 WAT +ATOM 8178 H1 TIP3 623 -4.751 -26.975 -40.296 1.00 0.00 WAT +ATOM 8179 H2 TIP3 623 -4.017 -26.037 -39.404 1.00 0.00 WAT +ATOM 8180 OH2 TIP3 624 -2.383 -41.196 -42.221 1.00 0.00 WAT +ATOM 8181 H1 TIP3 624 -1.751 -41.630 -42.810 1.00 0.00 WAT +ATOM 8182 H2 TIP3 624 -1.784 -40.633 -41.697 1.00 0.00 WAT +ATOM 8183 OH2 TIP3 625 2.754 -40.579 -39.837 1.00 0.00 WAT +ATOM 8184 H1 TIP3 625 2.941 -41.442 -39.420 1.00 0.00 WAT +ATOM 8185 H2 TIP3 625 2.999 -39.937 -39.139 1.00 0.00 WAT +ATOM 8186 OH2 TIP3 626 4.604 -25.302 -41.456 1.00 0.00 WAT +ATOM 8187 H1 TIP3 626 5.570 -25.146 -41.369 1.00 0.00 WAT +ATOM 8188 H2 TIP3 626 4.600 -25.910 -42.220 1.00 0.00 WAT +ATOM 8189 OH2 TIP3 627 11.382 -26.134 -38.837 1.00 0.00 WAT +ATOM 8190 H1 TIP3 627 11.080 -26.960 -39.269 1.00 0.00 WAT +ATOM 8191 H2 TIP3 627 11.150 -25.457 -39.509 1.00 0.00 WAT +ATOM 8192 OH2 TIP3 628 -3.297 -41.768 -27.320 1.00 0.00 WAT +ATOM 8193 H1 TIP3 628 -3.758 -42.558 -27.003 1.00 0.00 WAT +ATOM 8194 H2 TIP3 628 -2.418 -42.157 -27.452 1.00 0.00 WAT +ATOM 8195 OH2 TIP3 629 -0.379 -42.778 -24.668 1.00 0.00 WAT +ATOM 8196 H1 TIP3 629 0.486 -43.044 -25.055 1.00 0.00 WAT +ATOM 8197 H2 TIP3 629 -0.627 -43.581 -24.196 1.00 0.00 WAT +ATOM 8198 OH2 TIP3 630 -2.068 -25.886 -42.312 1.00 0.00 WAT +ATOM 8199 H1 TIP3 630 -2.454 -25.610 -41.471 1.00 0.00 WAT +ATOM 8200 H2 TIP3 630 -1.362 -26.485 -42.049 1.00 0.00 WAT +ATOM 8201 OH2 TIP3 631 10.773 -27.337 -26.412 1.00 0.00 WAT +ATOM 8202 H1 TIP3 631 10.030 -27.522 -27.013 1.00 0.00 WAT +ATOM 8203 H2 TIP3 631 10.615 -26.396 -26.210 1.00 0.00 WAT +ATOM 8204 OH2 TIP3 632 24.971 -33.680 -36.283 1.00 0.00 WAT +ATOM 8205 H1 TIP3 632 24.972 -32.720 -36.137 1.00 0.00 WAT +ATOM 8206 H2 TIP3 632 24.185 -33.788 -36.834 1.00 0.00 WAT +ATOM 8207 OH2 TIP3 633 23.821 -34.225 -33.207 1.00 0.00 WAT +ATOM 8208 H1 TIP3 633 23.806 -34.772 -32.404 1.00 0.00 WAT +ATOM 8209 H2 TIP3 633 23.535 -34.861 -33.880 1.00 0.00 WAT +ATOM 8210 OH2 TIP3 634 16.312 -34.644 -31.542 1.00 0.00 WAT +ATOM 8211 H1 TIP3 634 16.275 -35.389 -30.913 1.00 0.00 WAT +ATOM 8212 H2 TIP3 634 16.992 -34.091 -31.130 1.00 0.00 WAT +ATOM 8213 OH2 TIP3 635 27.478 -31.489 -34.880 1.00 0.00 WAT +ATOM 8214 H1 TIP3 635 27.128 -32.193 -34.318 1.00 0.00 WAT +ATOM 8215 H2 TIP3 635 27.816 -30.873 -34.216 1.00 0.00 WAT +ATOM 8216 OH2 TIP3 636 16.960 -29.984 -33.058 1.00 0.00 WAT +ATOM 8217 H1 TIP3 636 16.710 -30.905 -33.285 1.00 0.00 WAT +ATOM 8218 H2 TIP3 636 17.879 -30.125 -32.787 1.00 0.00 WAT +ATOM 8219 OH2 TIP3 637 13.966 -36.592 -37.646 1.00 0.00 WAT +ATOM 8220 H1 TIP3 637 13.542 -35.729 -37.513 1.00 0.00 WAT +ATOM 8221 H2 TIP3 637 13.238 -37.106 -38.018 1.00 0.00 WAT +ATOM 8222 OH2 TIP3 638 14.757 -34.135 -35.787 1.00 0.00 WAT +ATOM 8223 H1 TIP3 638 14.895 -34.968 -35.293 1.00 0.00 WAT +ATOM 8224 H2 TIP3 638 15.600 -34.045 -36.250 1.00 0.00 WAT +ATOM 8225 OH2 TIP3 639 24.560 -26.117 -34.317 1.00 0.00 WAT +ATOM 8226 H1 TIP3 639 25.136 -26.835 -34.641 1.00 0.00 WAT +ATOM 8227 H2 TIP3 639 24.278 -26.462 -33.460 1.00 0.00 WAT +ATOM 8228 OH2 TIP3 640 22.307 -31.713 -32.646 1.00 0.00 WAT +ATOM 8229 H1 TIP3 640 22.637 -32.440 -33.202 1.00 0.00 WAT +ATOM 8230 H2 TIP3 640 23.111 -31.552 -32.117 1.00 0.00 WAT +ATOM 8231 OH2 TIP3 641 30.865 -40.175 -32.071 1.00 0.00 WAT +ATOM 8232 H1 TIP3 641 31.193 -39.719 -31.279 1.00 0.00 WAT +ATOM 8233 H2 TIP3 641 31.514 -39.868 -32.730 1.00 0.00 WAT +ATOM 8234 OH2 TIP3 642 25.591 -37.405 -32.113 1.00 0.00 WAT +ATOM 8235 H1 TIP3 642 25.785 -38.358 -32.101 1.00 0.00 WAT +ATOM 8236 H2 TIP3 642 25.504 -37.242 -33.066 1.00 0.00 WAT +ATOM 8237 OH2 TIP3 643 18.563 -39.414 -35.028 1.00 0.00 WAT +ATOM 8238 H1 TIP3 643 18.714 -38.560 -35.476 1.00 0.00 WAT +ATOM 8239 H2 TIP3 643 18.211 -39.939 -35.770 1.00 0.00 WAT +ATOM 8240 OH2 TIP3 644 26.436 -39.242 -36.725 1.00 0.00 WAT +ATOM 8241 H1 TIP3 644 27.027 -39.667 -36.070 1.00 0.00 WAT +ATOM 8242 H2 TIP3 644 27.080 -38.779 -37.281 1.00 0.00 WAT +ATOM 8243 OH2 TIP3 645 15.284 -36.605 -34.553 1.00 0.00 WAT +ATOM 8244 H1 TIP3 645 15.861 -37.110 -33.958 1.00 0.00 WAT +ATOM 8245 H2 TIP3 645 15.330 -37.132 -35.368 1.00 0.00 WAT +ATOM 8246 OH2 TIP3 646 20.658 -35.250 -35.100 1.00 0.00 WAT +ATOM 8247 H1 TIP3 646 21.351 -35.803 -34.690 1.00 0.00 WAT +ATOM 8248 H2 TIP3 646 20.137 -35.922 -35.577 1.00 0.00 WAT +ATOM 8249 OH2 TIP3 647 31.802 -38.478 -29.415 1.00 0.00 WAT +ATOM 8250 H1 TIP3 647 31.052 -37.961 -29.756 1.00 0.00 WAT +ATOM 8251 H2 TIP3 647 31.410 -38.890 -28.637 1.00 0.00 WAT +ATOM 8252 OH2 TIP3 648 17.372 -40.562 -30.869 1.00 0.00 WAT +ATOM 8253 H1 TIP3 648 17.024 -40.010 -31.589 1.00 0.00 WAT +ATOM 8254 H2 TIP3 648 16.701 -40.375 -30.180 1.00 0.00 WAT +ATOM 8255 OH2 TIP3 649 24.859 -30.830 -37.501 1.00 0.00 WAT +ATOM 8256 H1 TIP3 649 24.524 -31.039 -38.375 1.00 0.00 WAT +ATOM 8257 H2 TIP3 649 24.427 -29.980 -37.306 1.00 0.00 WAT +ATOM 8258 OH2 TIP3 650 20.308 -32.697 -30.767 1.00 0.00 WAT +ATOM 8259 H1 TIP3 650 19.569 -32.108 -30.502 1.00 0.00 WAT +ATOM 8260 H2 TIP3 650 20.924 -32.075 -31.193 1.00 0.00 WAT +ATOM 8261 OH2 TIP3 651 28.330 -40.131 -34.674 1.00 0.00 WAT +ATOM 8262 H1 TIP3 651 27.848 -40.602 -33.982 1.00 0.00 WAT +ATOM 8263 H2 TIP3 651 28.847 -39.498 -34.147 1.00 0.00 WAT +ATOM 8264 OH2 TIP3 652 16.976 -38.555 -32.930 1.00 0.00 WAT +ATOM 8265 H1 TIP3 652 17.603 -37.945 -32.486 1.00 0.00 WAT +ATOM 8266 H2 TIP3 652 17.547 -38.900 -33.651 1.00 0.00 WAT +ATOM 8267 OH2 TIP3 653 18.290 -30.832 -30.055 1.00 0.00 WAT +ATOM 8268 H1 TIP3 653 18.264 -29.896 -30.330 1.00 0.00 WAT +ATOM 8269 H2 TIP3 653 17.428 -30.892 -29.597 1.00 0.00 WAT +ATOM 8270 OH2 TIP3 654 14.618 -31.123 -39.186 1.00 0.00 WAT +ATOM 8271 H1 TIP3 654 14.402 -30.688 -40.035 1.00 0.00 WAT +ATOM 8272 H2 TIP3 654 14.761 -30.376 -38.571 1.00 0.00 WAT +ATOM 8273 OH2 TIP3 655 28.052 -29.667 -32.387 1.00 0.00 WAT +ATOM 8274 H1 TIP3 655 27.087 -29.525 -32.373 1.00 0.00 WAT +ATOM 8275 H2 TIP3 655 28.357 -28.821 -32.753 1.00 0.00 WAT +ATOM 8276 OH2 TIP3 656 28.488 -41.102 -30.657 1.00 0.00 WAT +ATOM 8277 H1 TIP3 656 27.681 -40.778 -31.091 1.00 0.00 WAT +ATOM 8278 H2 TIP3 656 29.150 -40.966 -31.360 1.00 0.00 WAT +ATOM 8279 OH2 TIP3 657 21.586 43.812 -33.645 1.00 0.00 WAT +ATOM 8280 H1 TIP3 657 21.544 42.855 -33.534 1.00 0.00 WAT +ATOM 8281 H2 TIP3 657 20.717 44.127 -33.324 1.00 0.00 WAT +ATOM 8282 OH2 TIP3 658 26.357 -27.723 -35.843 1.00 0.00 WAT +ATOM 8283 H1 TIP3 658 26.839 -28.524 -36.136 1.00 0.00 WAT +ATOM 8284 H2 TIP3 658 27.060 -27.048 -35.918 1.00 0.00 WAT +ATOM 8285 OH2 TIP3 659 27.789 -29.850 -37.190 1.00 0.00 WAT +ATOM 8286 H1 TIP3 659 27.300 -30.326 -37.874 1.00 0.00 WAT +ATOM 8287 H2 TIP3 659 27.775 -30.497 -36.459 1.00 0.00 WAT +ATOM 8288 OH2 TIP3 660 29.340 -31.051 -28.707 1.00 0.00 WAT +ATOM 8289 H1 TIP3 660 29.253 -31.699 -29.431 1.00 0.00 WAT +ATOM 8290 H2 TIP3 660 29.486 -30.220 -29.198 1.00 0.00 WAT +ATOM 8291 OH2 TIP3 661 23.640 -34.198 -39.068 1.00 0.00 WAT +ATOM 8292 H1 TIP3 661 22.978 -33.550 -39.377 1.00 0.00 WAT +ATOM 8293 H2 TIP3 661 24.372 -34.052 -39.684 1.00 0.00 WAT +ATOM 8294 OH2 TIP3 662 23.849 -35.900 -42.131 1.00 0.00 WAT +ATOM 8295 H1 TIP3 662 24.482 -35.620 -41.447 1.00 0.00 WAT +ATOM 8296 H2 TIP3 662 24.410 -36.517 -42.647 1.00 0.00 WAT +ATOM 8297 OH2 TIP3 663 31.104 -34.888 -30.768 1.00 0.00 WAT +ATOM 8298 H1 TIP3 663 30.393 -34.223 -30.691 1.00 0.00 WAT +ATOM 8299 H2 TIP3 663 31.598 -34.541 -31.539 1.00 0.00 WAT +ATOM 8300 OH2 TIP3 664 27.113 -34.174 -37.950 1.00 0.00 WAT +ATOM 8301 H1 TIP3 664 26.439 -33.945 -37.270 1.00 0.00 WAT +ATOM 8302 H2 TIP3 664 27.736 -34.701 -37.416 1.00 0.00 WAT +ATOM 8303 OH2 TIP3 665 26.966 -35.622 -29.102 1.00 0.00 WAT +ATOM 8304 H1 TIP3 665 27.025 -34.812 -28.567 1.00 0.00 WAT +ATOM 8305 H2 TIP3 665 26.319 -35.315 -29.762 1.00 0.00 WAT +ATOM 8306 OH2 TIP3 666 18.733 -33.372 -36.166 1.00 0.00 WAT +ATOM 8307 H1 TIP3 666 18.421 -33.813 -36.978 1.00 0.00 WAT +ATOM 8308 H2 TIP3 666 19.373 -34.017 -35.817 1.00 0.00 WAT +ATOM 8309 OH2 TIP3 667 20.103 -29.947 -33.433 1.00 0.00 WAT +ATOM 8310 H1 TIP3 667 19.977 -30.376 -34.289 1.00 0.00 WAT +ATOM 8311 H2 TIP3 667 20.882 -30.424 -33.087 1.00 0.00 WAT +ATOM 8312 OH2 TIP3 668 19.327 -34.576 -32.669 1.00 0.00 WAT +ATOM 8313 H1 TIP3 668 19.903 -34.518 -33.455 1.00 0.00 WAT +ATOM 8314 H2 TIP3 668 19.699 -33.894 -32.078 1.00 0.00 WAT +ATOM 8315 OH2 TIP3 669 25.233 -29.021 -32.083 1.00 0.00 WAT +ATOM 8316 H1 TIP3 669 25.301 -28.384 -31.355 1.00 0.00 WAT +ATOM 8317 H2 TIP3 669 25.027 -29.857 -31.631 1.00 0.00 WAT +ATOM 8318 OH2 TIP3 670 20.152 -30.247 -27.840 1.00 0.00 WAT +ATOM 8319 H1 TIP3 670 19.645 -29.583 -27.336 1.00 0.00 WAT +ATOM 8320 H2 TIP3 670 19.500 -30.504 -28.517 1.00 0.00 WAT +ATOM 8321 OH2 TIP3 671 26.219 -34.690 -40.574 1.00 0.00 WAT +ATOM 8322 H1 TIP3 671 26.610 -34.427 -39.713 1.00 0.00 WAT +ATOM 8323 H2 TIP3 671 26.837 -34.253 -41.193 1.00 0.00 WAT +ATOM 8324 OH2 TIP3 672 17.086 -33.850 -28.716 1.00 0.00 WAT +ATOM 8325 H1 TIP3 672 17.137 -33.267 -27.935 1.00 0.00 WAT +ATOM 8326 H2 TIP3 672 16.125 -33.983 -28.788 1.00 0.00 WAT +ATOM 8327 OH2 TIP3 673 23.505 -28.102 -36.943 1.00 0.00 WAT +ATOM 8328 H1 TIP3 673 24.036 -27.844 -36.178 1.00 0.00 WAT +ATOM 8329 H2 TIP3 673 23.053 -27.280 -37.182 1.00 0.00 WAT +ATOM 8330 OH2 TIP3 674 18.259 -28.087 -27.021 1.00 0.00 WAT +ATOM 8331 H1 TIP3 674 18.122 -28.036 -27.982 1.00 0.00 WAT +ATOM 8332 H2 TIP3 674 17.374 -28.326 -26.684 1.00 0.00 WAT +ATOM 8333 OH2 TIP3 675 29.396 -43.347 -41.280 1.00 0.00 WAT +ATOM 8334 H1 TIP3 675 28.923 -43.319 -40.435 1.00 0.00 WAT +ATOM 8335 H2 TIP3 675 30.062 -42.665 -41.117 1.00 0.00 WAT +ATOM 8336 OH2 TIP3 676 17.674 -34.641 -38.651 1.00 0.00 WAT +ATOM 8337 H1 TIP3 676 17.409 -33.873 -39.190 1.00 0.00 WAT +ATOM 8338 H2 TIP3 676 16.975 -35.275 -38.855 1.00 0.00 WAT +ATOM 8339 OH2 TIP3 677 30.692 -28.823 -42.463 1.00 0.00 WAT +ATOM 8340 H1 TIP3 677 30.952 -27.936 -42.166 1.00 0.00 WAT +ATOM 8341 H2 TIP3 677 31.514 -29.333 -42.367 1.00 0.00 WAT +ATOM 8342 OH2 TIP3 678 13.708 -31.963 -29.901 1.00 0.00 WAT +ATOM 8343 H1 TIP3 678 13.258 -31.974 -30.768 1.00 0.00 WAT +ATOM 8344 H2 TIP3 678 13.833 -32.914 -29.724 1.00 0.00 WAT +ATOM 8345 OH2 TIP3 679 13.764 -29.022 -32.980 1.00 0.00 WAT +ATOM 8346 H1 TIP3 679 14.683 -29.316 -32.897 1.00 0.00 WAT +ATOM 8347 H2 TIP3 679 13.689 -28.423 -32.223 1.00 0.00 WAT +ATOM 8348 OH2 TIP3 680 32.150 -28.398 -27.188 1.00 0.00 WAT +ATOM 8349 H1 TIP3 680 32.062 -29.341 -27.409 1.00 0.00 WAT +ATOM 8350 H2 TIP3 680 31.234 -28.188 -26.902 1.00 0.00 WAT +ATOM 8351 OH2 TIP3 681 22.790 -29.196 -28.403 1.00 0.00 WAT +ATOM 8352 H1 TIP3 681 22.871 -28.379 -27.868 1.00 0.00 WAT +ATOM 8353 H2 TIP3 681 21.890 -29.497 -28.164 1.00 0.00 WAT +ATOM 8354 OH2 TIP3 682 23.087 -25.389 -38.464 1.00 0.00 WAT +ATOM 8355 H1 TIP3 682 23.083 -25.278 -39.430 1.00 0.00 WAT +ATOM 8356 H2 TIP3 682 23.156 -24.477 -38.141 1.00 0.00 WAT +ATOM 8357 OH2 TIP3 683 16.874 -26.250 -36.798 1.00 0.00 WAT +ATOM 8358 H1 TIP3 683 17.053 -26.692 -35.941 1.00 0.00 WAT +ATOM 8359 H2 TIP3 683 16.029 -26.657 -37.032 1.00 0.00 WAT +ATOM 8360 OH2 TIP3 684 26.188 -25.668 -41.068 1.00 0.00 WAT +ATOM 8361 H1 TIP3 684 26.732 -26.083 -41.751 1.00 0.00 WAT +ATOM 8362 H2 TIP3 684 26.271 -26.285 -40.310 1.00 0.00 WAT +ATOM 8363 OH2 TIP3 685 25.806 -26.655 -38.534 1.00 0.00 WAT +ATOM 8364 H1 TIP3 685 24.893 -26.417 -38.312 1.00 0.00 WAT +ATOM 8365 H2 TIP3 685 26.025 -27.263 -37.808 1.00 0.00 WAT +ATOM 8366 OH2 TIP3 686 28.942 -37.093 -26.793 1.00 0.00 WAT +ATOM 8367 H1 TIP3 686 28.424 -36.676 -27.496 1.00 0.00 WAT +ATOM 8368 H2 TIP3 686 29.004 -38.012 -27.110 1.00 0.00 WAT +ATOM 8369 OH2 TIP3 687 15.905 -30.417 -28.668 1.00 0.00 WAT +ATOM 8370 H1 TIP3 687 16.165 -30.867 -27.838 1.00 0.00 WAT +ATOM 8371 H2 TIP3 687 15.158 -30.956 -28.984 1.00 0.00 WAT +ATOM 8372 OH2 TIP3 688 19.116 -42.189 -32.739 1.00 0.00 WAT +ATOM 8373 H1 TIP3 688 18.296 -42.460 -33.177 1.00 0.00 WAT +ATOM 8374 H2 TIP3 688 18.835 -41.366 -32.311 1.00 0.00 WAT +ATOM 8375 OH2 TIP3 689 23.666 -42.621 -29.157 1.00 0.00 WAT +ATOM 8376 H1 TIP3 689 23.838 -43.095 -28.338 1.00 0.00 WAT +ATOM 8377 H2 TIP3 689 22.718 -42.772 -29.271 1.00 0.00 WAT +ATOM 8378 OH2 TIP3 690 26.646 -38.632 -28.730 1.00 0.00 WAT +ATOM 8379 H1 TIP3 690 26.044 -38.743 -27.972 1.00 0.00 WAT +ATOM 8380 H2 TIP3 690 26.580 -37.681 -28.925 1.00 0.00 WAT +ATOM 8381 OH2 TIP3 691 28.364 -33.846 -42.522 1.00 0.00 WAT +ATOM 8382 H1 TIP3 691 28.002 -33.957 -43.410 1.00 0.00 WAT +ATOM 8383 H2 TIP3 691 28.756 -32.967 -42.613 1.00 0.00 WAT +ATOM 8384 OH2 TIP3 692 23.279 -39.976 -42.141 1.00 0.00 WAT +ATOM 8385 H1 TIP3 692 22.734 -39.950 -41.329 1.00 0.00 WAT +ATOM 8386 H2 TIP3 692 22.777 -40.630 -42.641 1.00 0.00 WAT +ATOM 8387 OH2 TIP3 693 18.953 -37.157 -31.474 1.00 0.00 WAT +ATOM 8388 H1 TIP3 693 18.356 -37.039 -30.715 1.00 0.00 WAT +ATOM 8389 H2 TIP3 693 19.021 -36.244 -31.829 1.00 0.00 WAT +ATOM 8390 OH2 TIP3 694 18.889 -37.081 -36.592 1.00 0.00 WAT +ATOM 8391 H1 TIP3 694 17.931 -37.192 -36.744 1.00 0.00 WAT +ATOM 8392 H2 TIP3 694 19.232 -37.269 -37.487 1.00 0.00 WAT +ATOM 8393 OH2 TIP3 695 24.564 -36.546 -37.865 1.00 0.00 WAT +ATOM 8394 H1 TIP3 695 24.160 -35.705 -38.170 1.00 0.00 WAT +ATOM 8395 H2 TIP3 695 25.215 -36.706 -38.566 1.00 0.00 WAT +ATOM 8396 OH2 TIP3 696 23.701 -36.329 -26.503 1.00 0.00 WAT +ATOM 8397 H1 TIP3 696 23.178 -37.054 -26.107 1.00 0.00 WAT +ATOM 8398 H2 TIP3 696 24.562 -36.433 -26.055 1.00 0.00 WAT +ATOM 8399 OH2 TIP3 697 25.364 -37.122 -35.048 1.00 0.00 WAT +ATOM 8400 H1 TIP3 697 25.084 -36.533 -35.777 1.00 0.00 WAT +ATOM 8401 H2 TIP3 697 25.557 -37.932 -35.560 1.00 0.00 WAT +ATOM 8402 OH2 TIP3 698 16.333 -36.974 -29.663 1.00 0.00 WAT +ATOM 8403 H1 TIP3 698 16.560 -36.677 -28.774 1.00 0.00 WAT +ATOM 8404 H2 TIP3 698 15.916 -37.838 -29.472 1.00 0.00 WAT +ATOM 8405 OH2 TIP3 699 20.047 -39.576 -43.154 1.00 0.00 WAT +ATOM 8406 H1 TIP3 699 19.732 -39.852 -42.275 1.00 0.00 WAT +ATOM 8407 H2 TIP3 699 19.280 -39.061 -43.472 1.00 0.00 WAT +ATOM 8408 OH2 TIP3 700 13.163 -39.459 -36.046 1.00 0.00 WAT +ATOM 8409 H1 TIP3 700 13.685 -39.565 -35.226 1.00 0.00 WAT +ATOM 8410 H2 TIP3 700 13.650 -39.975 -36.701 1.00 0.00 WAT +ATOM 8411 OH2 TIP3 701 14.686 -39.112 -40.393 1.00 0.00 WAT +ATOM 8412 H1 TIP3 701 15.258 -38.602 -40.998 1.00 0.00 WAT +ATOM 8413 H2 TIP3 701 14.022 -38.439 -40.152 1.00 0.00 WAT +ATOM 8414 OH2 TIP3 702 24.452 -35.432 -30.592 1.00 0.00 WAT +ATOM 8415 H1 TIP3 702 24.889 -36.165 -31.082 1.00 0.00 WAT +ATOM 8416 H2 TIP3 702 24.123 -35.892 -29.807 1.00 0.00 WAT +ATOM 8417 OH2 TIP3 703 21.661 -39.443 -35.613 1.00 0.00 WAT +ATOM 8418 H1 TIP3 703 20.724 -39.571 -35.390 1.00 0.00 WAT +ATOM 8419 H2 TIP3 703 22.095 -39.714 -34.787 1.00 0.00 WAT +ATOM 8420 OH2 TIP3 704 16.272 -38.263 -36.927 1.00 0.00 WAT +ATOM 8421 H1 TIP3 704 15.418 -38.011 -37.323 1.00 0.00 WAT +ATOM 8422 H2 TIP3 704 16.500 -39.094 -37.384 1.00 0.00 WAT +ATOM 8423 OH2 TIP3 705 19.835 -37.878 -39.227 1.00 0.00 WAT +ATOM 8424 H1 TIP3 705 20.804 -37.818 -39.170 1.00 0.00 WAT +ATOM 8425 H2 TIP3 705 19.603 -37.276 -39.954 1.00 0.00 WAT +ATOM 8426 OH2 TIP3 706 26.005 -40.326 -32.561 1.00 0.00 WAT +ATOM 8427 H1 TIP3 706 25.379 -40.345 -31.808 1.00 0.00 WAT +ATOM 8428 H2 TIP3 706 25.417 -40.636 -33.271 1.00 0.00 WAT +ATOM 8429 OH2 TIP3 707 18.434 -36.732 -41.579 1.00 0.00 WAT +ATOM 8430 H1 TIP3 707 17.798 -37.211 -42.133 1.00 0.00 WAT +ATOM 8431 H2 TIP3 707 19.174 -36.568 -42.178 1.00 0.00 WAT +ATOM 8432 OH2 TIP3 708 29.021 -24.483 -25.874 1.00 0.00 WAT +ATOM 8433 H1 TIP3 708 29.348 -24.225 -26.746 1.00 0.00 WAT +ATOM 8434 H2 TIP3 708 29.783 -24.290 -25.293 1.00 0.00 WAT +ATOM 8435 OH2 TIP3 709 16.971 -31.950 -26.470 1.00 0.00 WAT +ATOM 8436 H1 TIP3 709 17.641 -31.860 -25.759 1.00 0.00 WAT +ATOM 8437 H2 TIP3 709 16.162 -31.965 -25.920 1.00 0.00 WAT +ATOM 8438 OH2 TIP3 710 22.683 -36.939 -33.748 1.00 0.00 WAT +ATOM 8439 H1 TIP3 710 23.410 -37.384 -34.208 1.00 0.00 WAT +ATOM 8440 H2 TIP3 710 22.508 -37.551 -33.006 1.00 0.00 WAT +ATOM 8441 OH2 TIP3 711 17.830 -40.669 -37.583 1.00 0.00 WAT +ATOM 8442 H1 TIP3 711 17.354 -41.506 -37.438 1.00 0.00 WAT +ATOM 8443 H2 TIP3 711 18.705 -40.977 -37.862 1.00 0.00 WAT +ATOM 8444 OH2 TIP3 712 21.653 -38.478 -31.493 1.00 0.00 WAT +ATOM 8445 H1 TIP3 712 20.883 -37.884 -31.488 1.00 0.00 WAT +ATOM 8446 H2 TIP3 712 22.137 -38.213 -30.684 1.00 0.00 WAT +ATOM 8447 OH2 TIP3 713 21.821 -32.121 -39.600 1.00 0.00 WAT +ATOM 8448 H1 TIP3 713 21.037 -32.595 -39.945 1.00 0.00 WAT +ATOM 8449 H2 TIP3 713 21.608 -32.038 -38.639 1.00 0.00 WAT +ATOM 8450 OH2 TIP3 714 29.019 -32.937 -30.867 1.00 0.00 WAT +ATOM 8451 H1 TIP3 714 29.523 -32.393 -31.512 1.00 0.00 WAT +ATOM 8452 H2 TIP3 714 28.165 -33.039 -31.330 1.00 0.00 WAT +ATOM 8453 OH2 TIP3 715 25.946 -39.240 -41.968 1.00 0.00 WAT +ATOM 8454 H1 TIP3 715 24.978 -39.359 -41.860 1.00 0.00 WAT +ATOM 8455 H2 TIP3 715 26.183 -38.587 -41.276 1.00 0.00 WAT +ATOM 8456 OH2 TIP3 716 23.442 -32.078 -28.281 1.00 0.00 WAT +ATOM 8457 H1 TIP3 716 23.136 -32.406 -27.423 1.00 0.00 WAT +ATOM 8458 H2 TIP3 716 23.119 -31.164 -28.280 1.00 0.00 WAT +ATOM 8459 OH2 TIP3 717 26.568 -37.506 -39.908 1.00 0.00 WAT +ATOM 8460 H1 TIP3 717 27.416 -37.659 -39.441 1.00 0.00 WAT +ATOM 8461 H2 TIP3 717 26.700 -36.613 -40.276 1.00 0.00 WAT +ATOM 8462 OH2 TIP3 718 16.940 -32.700 -33.775 1.00 0.00 WAT +ATOM 8463 H1 TIP3 718 17.493 -32.820 -34.565 1.00 0.00 WAT +ATOM 8464 H2 TIP3 718 17.020 -33.563 -33.337 1.00 0.00 WAT +ATOM 8465 OH2 TIP3 719 24.235 -30.752 -40.705 1.00 0.00 WAT +ATOM 8466 H1 TIP3 719 23.960 -29.870 -40.378 1.00 0.00 WAT +ATOM 8467 H2 TIP3 719 23.472 -31.287 -40.416 1.00 0.00 WAT +ATOM 8468 OH2 TIP3 720 14.190 -34.437 -28.524 1.00 0.00 WAT +ATOM 8469 H1 TIP3 720 14.337 -34.874 -27.662 1.00 0.00 WAT +ATOM 8470 H2 TIP3 720 13.579 -35.047 -28.971 1.00 0.00 WAT +ATOM 8471 OH2 TIP3 721 21.162 -34.925 -26.533 1.00 0.00 WAT +ATOM 8472 H1 TIP3 721 20.805 -35.179 -27.401 1.00 0.00 WAT +ATOM 8473 H2 TIP3 721 22.094 -35.191 -26.635 1.00 0.00 WAT +ATOM 8474 OH2 TIP3 722 25.727 -29.385 -28.824 1.00 0.00 WAT +ATOM 8475 H1 TIP3 722 24.756 -29.390 -28.877 1.00 0.00 WAT +ATOM 8476 H2 TIP3 722 25.869 -29.224 -27.875 1.00 0.00 WAT +ATOM 8477 OH2 TIP3 723 31.277 -37.372 -40.012 1.00 0.00 WAT +ATOM 8478 H1 TIP3 723 30.622 -37.542 -40.714 1.00 0.00 WAT +ATOM 8479 H2 TIP3 723 31.400 -36.416 -40.158 1.00 0.00 WAT +ATOM 8480 OH2 TIP3 724 31.676 -31.419 -27.234 1.00 0.00 WAT +ATOM 8481 H1 TIP3 724 30.743 -31.189 -27.427 1.00 0.00 WAT +ATOM 8482 H2 TIP3 724 32.015 -31.583 -28.137 1.00 0.00 WAT +ATOM 8483 OH2 TIP3 725 29.386 -28.831 -39.945 1.00 0.00 WAT +ATOM 8484 H1 TIP3 725 29.276 -29.596 -39.365 1.00 0.00 WAT +ATOM 8485 H2 TIP3 725 29.851 -29.196 -40.714 1.00 0.00 WAT +ATOM 8486 OH2 TIP3 726 26.669 -33.497 -32.564 1.00 0.00 WAT +ATOM 8487 H1 TIP3 726 25.737 -33.658 -32.804 1.00 0.00 WAT +ATOM 8488 H2 TIP3 726 27.113 -34.217 -33.054 1.00 0.00 WAT +ATOM 8489 OH2 TIP3 727 19.314 -29.434 -36.566 1.00 0.00 WAT +ATOM 8490 H1 TIP3 727 19.724 -28.559 -36.646 1.00 0.00 WAT +ATOM 8491 H2 TIP3 727 18.384 -29.234 -36.734 1.00 0.00 WAT +ATOM 8492 OH2 TIP3 728 15.383 -34.514 -41.988 1.00 0.00 WAT +ATOM 8493 H1 TIP3 728 15.920 -33.849 -41.516 1.00 0.00 WAT +ATOM 8494 H2 TIP3 728 14.480 -34.307 -41.676 1.00 0.00 WAT +ATOM 8495 OH2 TIP3 729 21.132 -31.728 -36.929 1.00 0.00 WAT +ATOM 8496 H1 TIP3 729 20.834 -30.819 -36.758 1.00 0.00 WAT +ATOM 8497 H2 TIP3 729 20.439 -32.235 -36.480 1.00 0.00 WAT +ATOM 8498 OH2 TIP3 730 21.305 -27.470 -30.557 1.00 0.00 WAT +ATOM 8499 H1 TIP3 730 21.867 -26.721 -30.817 1.00 0.00 WAT +ATOM 8500 H2 TIP3 730 21.905 -27.964 -29.975 1.00 0.00 WAT +ATOM 8501 OH2 TIP3 731 19.747 -26.518 -37.352 1.00 0.00 WAT +ATOM 8502 H1 TIP3 731 18.791 -26.389 -37.236 1.00 0.00 WAT +ATOM 8503 H2 TIP3 731 20.094 -25.650 -37.078 1.00 0.00 WAT +ATOM 8504 OH2 TIP3 732 24.715 -31.712 -30.977 1.00 0.00 WAT +ATOM 8505 H1 TIP3 732 24.421 -32.001 -30.095 1.00 0.00 WAT +ATOM 8506 H2 TIP3 732 25.452 -32.320 -31.153 1.00 0.00 WAT +ATOM 8507 OH2 TIP3 733 26.839 -30.427 -41.997 1.00 0.00 WAT +ATOM 8508 H1 TIP3 733 27.392 -30.746 -41.257 1.00 0.00 WAT +ATOM 8509 H2 TIP3 733 25.967 -30.530 -41.579 1.00 0.00 WAT +ATOM 8510 OH2 TIP3 734 27.681 -27.101 -28.636 1.00 0.00 WAT +ATOM 8511 H1 TIP3 734 26.929 -27.617 -28.990 1.00 0.00 WAT +ATOM 8512 H2 TIP3 734 27.681 -26.328 -29.215 1.00 0.00 WAT +ATOM 8513 OH2 TIP3 735 31.737 -25.967 -41.608 1.00 0.00 WAT +ATOM 8514 H1 TIP3 735 32.478 -25.352 -41.398 1.00 0.00 WAT +ATOM 8515 H2 TIP3 735 30.969 -25.415 -41.374 1.00 0.00 WAT +ATOM 8516 OH2 TIP3 736 15.522 -39.613 -28.930 1.00 0.00 WAT +ATOM 8517 H1 TIP3 736 14.608 -39.425 -29.239 1.00 0.00 WAT +ATOM 8518 H2 TIP3 736 15.360 -40.474 -28.487 1.00 0.00 WAT +ATOM 8519 OH2 TIP3 737 27.846 -31.859 -39.702 1.00 0.00 WAT +ATOM 8520 H1 TIP3 737 27.604 -32.540 -39.050 1.00 0.00 WAT +ATOM 8521 H2 TIP3 737 28.817 -31.845 -39.611 1.00 0.00 WAT +ATOM 8522 OH2 TIP3 738 15.281 -28.044 -30.525 1.00 0.00 WAT +ATOM 8523 H1 TIP3 738 15.570 -28.941 -30.298 1.00 0.00 WAT +ATOM 8524 H2 TIP3 738 15.444 -27.588 -29.689 1.00 0.00 WAT +ATOM 8525 OH2 TIP3 739 21.353 -29.402 -43.278 1.00 0.00 WAT +ATOM 8526 H1 TIP3 739 21.743 -30.252 -43.538 1.00 0.00 WAT +ATOM 8527 H2 TIP3 739 20.824 -29.669 -42.500 1.00 0.00 WAT +ATOM 8528 OH2 TIP3 740 19.932 -29.845 -40.764 1.00 0.00 WAT +ATOM 8529 H1 TIP3 740 20.429 -30.369 -40.120 1.00 0.00 WAT +ATOM 8530 H2 TIP3 740 20.125 -28.928 -40.485 1.00 0.00 WAT +ATOM 8531 OH2 TIP3 741 16.787 -32.476 -40.366 1.00 0.00 WAT +ATOM 8532 H1 TIP3 741 16.030 -32.073 -39.889 1.00 0.00 WAT +ATOM 8533 H2 TIP3 741 17.250 -31.678 -40.665 1.00 0.00 WAT +ATOM 8534 OH2 TIP3 742 24.430 -40.085 -30.275 1.00 0.00 WAT +ATOM 8535 H1 TIP3 742 25.041 -39.811 -29.578 1.00 0.00 WAT +ATOM 8536 H2 TIP3 742 24.055 -40.915 -29.925 1.00 0.00 WAT +ATOM 8537 OH2 TIP3 743 25.236 -40.496 -39.229 1.00 0.00 WAT +ATOM 8538 H1 TIP3 743 25.377 -39.838 -39.924 1.00 0.00 WAT +ATOM 8539 H2 TIP3 743 25.570 -40.026 -38.448 1.00 0.00 WAT +ATOM 8540 OH2 TIP3 744 22.867 -28.268 -40.293 1.00 0.00 WAT +ATOM 8541 H1 TIP3 744 22.101 -27.745 -40.010 1.00 0.00 WAT +ATOM 8542 H2 TIP3 744 23.398 -27.595 -40.736 1.00 0.00 WAT +ATOM 8543 OH2 TIP3 745 22.541 -38.497 -38.122 1.00 0.00 WAT +ATOM 8544 H1 TIP3 745 23.292 -37.887 -37.971 1.00 0.00 WAT +ATOM 8545 H2 TIP3 745 22.234 -38.665 -37.207 1.00 0.00 WAT +ATOM 8546 OH2 TIP3 746 22.883 -37.608 -29.006 1.00 0.00 WAT +ATOM 8547 H1 TIP3 746 22.947 -37.093 -28.183 1.00 0.00 WAT +ATOM 8548 H2 TIP3 746 23.447 -38.366 -28.814 1.00 0.00 WAT +ATOM 8549 OH2 TIP3 747 23.296 -41.708 -37.120 1.00 0.00 WAT +ATOM 8550 H1 TIP3 747 22.953 -40.960 -36.605 1.00 0.00 WAT +ATOM 8551 H2 TIP3 747 23.811 -41.256 -37.809 1.00 0.00 WAT +ATOM 8552 OH2 TIP3 748 20.074 -27.069 -40.250 1.00 0.00 WAT +ATOM 8553 H1 TIP3 748 20.116 -26.211 -40.720 1.00 0.00 WAT +ATOM 8554 H2 TIP3 748 19.943 -26.791 -39.324 1.00 0.00 WAT +ATOM 8555 OH2 TIP3 749 18.824 -40.435 -40.760 1.00 0.00 WAT +ATOM 8556 H1 TIP3 749 18.749 -39.676 -40.157 1.00 0.00 WAT +ATOM 8557 H2 TIP3 749 19.652 -40.835 -40.437 1.00 0.00 WAT +ATOM 8558 OH2 TIP3 750 29.257 -39.636 -28.176 1.00 0.00 WAT +ATOM 8559 H1 TIP3 750 28.292 -39.518 -28.272 1.00 0.00 WAT +ATOM 8560 H2 TIP3 750 29.460 -39.881 -29.090 1.00 0.00 WAT +ATOM 8561 OH2 TIP3 751 27.671 -35.744 -34.087 1.00 0.00 WAT +ATOM 8562 H1 TIP3 751 26.851 -36.203 -34.347 1.00 0.00 WAT +ATOM 8563 H2 TIP3 751 28.164 -36.454 -33.617 1.00 0.00 WAT +ATOM 8564 OH2 TIP3 752 17.194 -29.497 -41.573 1.00 0.00 WAT +ATOM 8565 H1 TIP3 752 18.016 -29.222 -41.134 1.00 0.00 WAT +ATOM 8566 H2 TIP3 752 17.557 -30.021 -42.304 1.00 0.00 WAT +ATOM 8567 OH2 TIP3 753 15.469 -37.335 -42.573 1.00 0.00 WAT +ATOM 8568 H1 TIP3 753 15.582 -36.381 -42.386 1.00 0.00 WAT +ATOM 8569 H2 TIP3 753 14.549 -37.355 -42.891 1.00 0.00 WAT +ATOM 8570 OH2 TIP3 754 28.637 -26.783 -32.523 1.00 0.00 WAT +ATOM 8571 H1 TIP3 754 28.501 -26.026 -33.123 1.00 0.00 WAT +ATOM 8572 H2 TIP3 754 29.595 -26.733 -32.394 1.00 0.00 WAT +ATOM 8573 OH2 TIP3 755 15.508 -42.410 -33.529 1.00 0.00 WAT +ATOM 8574 H1 TIP3 755 15.914 -42.445 -34.403 1.00 0.00 WAT +ATOM 8575 H2 TIP3 755 15.684 -43.316 -33.234 1.00 0.00 WAT +ATOM 8576 OH2 TIP3 756 15.189 -28.858 -37.466 1.00 0.00 WAT +ATOM 8577 H1 TIP3 756 14.396 -28.355 -37.241 1.00 0.00 WAT +ATOM 8578 H2 TIP3 756 15.561 -28.349 -38.199 1.00 0.00 WAT +ATOM 8579 OH2 TIP3 757 14.580 -25.963 -26.254 1.00 0.00 WAT +ATOM 8580 H1 TIP3 757 15.152 -26.237 -25.511 1.00 0.00 WAT +ATOM 8581 H2 TIP3 757 14.189 -26.815 -26.529 1.00 0.00 WAT +ATOM 8582 OH2 TIP3 758 19.282 -26.917 -24.508 1.00 0.00 WAT +ATOM 8583 H1 TIP3 758 19.976 -27.553 -24.282 1.00 0.00 WAT +ATOM 8584 H2 TIP3 758 19.065 -27.188 -25.415 1.00 0.00 WAT +ATOM 8585 OH2 TIP3 759 23.527 -27.557 -43.300 1.00 0.00 WAT +ATOM 8586 H1 TIP3 759 22.726 -28.116 -43.248 1.00 0.00 WAT +ATOM 8587 H2 TIP3 759 24.187 -28.220 -43.555 1.00 0.00 WAT +ATOM 8588 OH2 TIP3 760 25.810 -28.673 -25.950 1.00 0.00 WAT +ATOM 8589 H1 TIP3 760 25.380 -29.453 -25.554 1.00 0.00 WAT +ATOM 8590 H2 TIP3 760 26.464 -28.434 -25.268 1.00 0.00 WAT +ATOM 8591 OH2 TIP3 761 27.068 -28.172 43.119 1.00 0.00 WAT +ATOM 8592 H1 TIP3 761 27.061 -28.914 43.744 1.00 0.00 WAT +ATOM 8593 H2 TIP3 761 27.959 -28.206 42.761 1.00 0.00 WAT +ATOM 8594 OH2 TIP3 762 14.563 -32.351 -25.172 1.00 0.00 WAT +ATOM 8595 H1 TIP3 762 14.641 -33.260 -25.504 1.00 0.00 WAT +ATOM 8596 H2 TIP3 762 13.785 -32.040 -25.673 1.00 0.00 WAT +ATOM 8597 OH2 TIP3 763 18.811 -31.797 -43.079 1.00 0.00 WAT +ATOM 8598 H1 TIP3 763 18.976 -32.452 -42.387 1.00 0.00 WAT +ATOM 8599 H2 TIP3 763 19.539 -31.939 -43.700 1.00 0.00 WAT +ATOM 8600 OH2 TIP3 764 21.207 -32.157 -25.833 1.00 0.00 WAT +ATOM 8601 H1 TIP3 764 20.869 -31.827 -26.682 1.00 0.00 WAT +ATOM 8602 H2 TIP3 764 21.251 -33.125 -25.977 1.00 0.00 WAT +ATOM 8603 OH2 TIP3 765 24.097 -30.774 -43.469 1.00 0.00 WAT +ATOM 8604 H1 TIP3 765 24.255 -30.616 -42.519 1.00 0.00 WAT +ATOM 8605 H2 TIP3 765 24.759 -31.444 -43.681 1.00 0.00 WAT +ATOM 8606 OH2 TIP3 766 26.557 -32.544 -28.441 1.00 0.00 WAT +ATOM 8607 H1 TIP3 766 27.333 -31.992 -28.627 1.00 0.00 WAT +ATOM 8608 H2 TIP3 766 25.847 -31.884 -28.435 1.00 0.00 WAT +ATOM 8609 OH2 TIP3 767 15.419 -35.222 -25.997 1.00 0.00 WAT +ATOM 8610 H1 TIP3 767 16.152 -35.859 -25.974 1.00 0.00 WAT +ATOM 8611 H2 TIP3 767 15.361 -34.986 -25.056 1.00 0.00 WAT +ATOM 8612 OH2 TIP3 768 19.837 -33.841 -40.911 1.00 0.00 WAT +ATOM 8613 H1 TIP3 768 19.222 -34.283 -40.304 1.00 0.00 WAT +ATOM 8614 H2 TIP3 768 20.183 -34.592 -41.427 1.00 0.00 WAT +ATOM 8615 OH2 TIP3 769 19.076 -36.089 -28.554 1.00 0.00 WAT +ATOM 8616 H1 TIP3 769 18.526 -35.307 -28.360 1.00 0.00 WAT +ATOM 8617 H2 TIP3 769 19.718 -35.723 -29.188 1.00 0.00 WAT +ATOM 8618 OH2 TIP3 770 21.035 -35.751 -42.734 1.00 0.00 WAT +ATOM 8619 H1 TIP3 770 21.064 -35.983 -43.672 1.00 0.00 WAT +ATOM 8620 H2 TIP3 770 21.989 -35.769 -42.506 1.00 0.00 WAT +ATOM 8621 OH2 TIP3 771 24.374 -33.379 -25.018 1.00 0.00 WAT +ATOM 8622 H1 TIP3 771 25.283 -33.564 -25.295 1.00 0.00 WAT +ATOM 8623 H2 TIP3 771 24.127 -34.208 -24.587 1.00 0.00 WAT +ATOM 8624 OH2 TIP3 772 19.669 -38.785 -27.455 1.00 0.00 WAT +ATOM 8625 H1 TIP3 772 19.736 -39.435 -28.172 1.00 0.00 WAT +ATOM 8626 H2 TIP3 772 19.453 -37.971 -27.945 1.00 0.00 WAT +ATOM 8627 OH2 TIP3 773 20.047 -40.381 -30.030 1.00 0.00 WAT +ATOM 8628 H1 TIP3 773 20.565 -39.818 -30.641 1.00 0.00 WAT +ATOM 8629 H2 TIP3 773 19.134 -40.273 -30.366 1.00 0.00 WAT +ATOM 8630 OH2 TIP3 774 21.553 -34.876 -29.569 1.00 0.00 WAT +ATOM 8631 H1 TIP3 774 22.389 -34.947 -30.053 1.00 0.00 WAT +ATOM 8632 H2 TIP3 774 21.233 -34.003 -29.868 1.00 0.00 WAT +ATOM 8633 OH2 TIP3 775 26.111 -36.932 -24.797 1.00 0.00 WAT +ATOM 8634 H1 TIP3 775 26.333 -37.861 -24.629 1.00 0.00 WAT +ATOM 8635 H2 TIP3 775 26.991 -36.524 -24.832 1.00 0.00 WAT +ATOM 8636 OH2 TIP3 776 27.107 -34.161 -26.308 1.00 0.00 WAT +ATOM 8637 H1 TIP3 776 26.748 -33.542 -26.978 1.00 0.00 WAT +ATOM 8638 H2 TIP3 776 28.009 -34.282 -26.667 1.00 0.00 WAT +ATOM 8639 OH2 TIP3 777 17.894 -36.965 -25.609 1.00 0.00 WAT +ATOM 8640 H1 TIP3 777 17.356 -37.774 -25.608 1.00 0.00 WAT +ATOM 8641 H2 TIP3 777 18.690 -37.261 -26.077 1.00 0.00 WAT +ATOM 8642 OH2 TIP3 778 20.530 -42.778 -28.809 1.00 0.00 WAT +ATOM 8643 H1 TIP3 778 20.633 -41.869 -29.160 1.00 0.00 WAT +ATOM 8644 H2 TIP3 778 19.602 -42.925 -29.034 1.00 0.00 WAT +ATOM 8645 OH2 TIP3 779 22.005 -38.451 -25.856 1.00 0.00 WAT +ATOM 8646 H1 TIP3 779 21.675 -38.705 -24.976 1.00 0.00 WAT +ATOM 8647 H2 TIP3 779 21.196 -38.629 -26.381 1.00 0.00 WAT +ATOM 8648 OH2 TIP3 780 24.582 -39.451 -26.877 1.00 0.00 WAT +ATOM 8649 H1 TIP3 780 23.689 -39.287 -26.518 1.00 0.00 WAT +ATOM 8650 H2 TIP3 780 24.935 -40.086 -26.234 1.00 0.00 WAT +ATOM 8651 OH2 TIP3 781 26.420 -41.388 -25.129 1.00 0.00 WAT +ATOM 8652 H1 TIP3 781 26.103 -42.240 -24.805 1.00 0.00 WAT +ATOM 8653 H2 TIP3 781 26.159 -40.773 -24.424 1.00 0.00 WAT +ATOM 8654 OH2 TIP3 782 16.681 -39.605 -25.749 1.00 0.00 WAT +ATOM 8655 H1 TIP3 782 16.396 -40.203 -26.462 1.00 0.00 WAT +ATOM 8656 H2 TIP3 782 16.212 -39.967 -24.982 1.00 0.00 WAT +ATOM 8657 OH2 TIP3 783 21.631 -41.461 -24.749 1.00 0.00 WAT +ATOM 8658 H1 TIP3 783 21.392 -42.280 -25.220 1.00 0.00 WAT +ATOM 8659 H2 TIP3 783 20.782 -40.986 -24.688 1.00 0.00 WAT +ATOM 8660 OH2 TIP3 784 20.628 -24.577 -41.706 1.00 0.00 WAT +ATOM 8661 H1 TIP3 784 21.591 -24.479 -41.628 1.00 0.00 WAT +ATOM 8662 H2 TIP3 784 20.398 -23.979 -42.434 1.00 0.00 WAT +ATOM 8663 OH2 TIP3 785 14.487 -30.521 -41.940 1.00 0.00 WAT +ATOM 8664 H1 TIP3 785 15.391 -30.163 -41.988 1.00 0.00 WAT +ATOM 8665 H2 TIP3 785 14.412 -31.052 -42.748 1.00 0.00 WAT +ATOM 8666 OH2 TIP3 786 13.506 -25.011 -37.199 1.00 0.00 WAT +ATOM 8667 H1 TIP3 786 12.787 -25.372 -37.757 1.00 0.00 WAT +ATOM 8668 H2 TIP3 786 13.563 -25.692 -36.497 1.00 0.00 WAT +ATOM 8669 OH2 TIP3 787 13.881 -26.982 -35.202 1.00 0.00 WAT +ATOM 8670 H1 TIP3 787 13.580 -27.853 -34.889 1.00 0.00 WAT +ATOM 8671 H2 TIP3 787 14.198 -26.623 -34.358 1.00 0.00 WAT +ATOM 8672 OH2 TIP3 788 31.381 -25.500 -32.037 1.00 0.00 WAT +ATOM 8673 H1 TIP3 788 31.716 -25.813 -31.188 1.00 0.00 WAT +ATOM 8674 H2 TIP3 788 32.184 -25.476 -32.578 1.00 0.00 WAT +ATOM 8675 OH2 TIP3 789 31.279 -26.184 -29.195 1.00 0.00 WAT +ATOM 8676 H1 TIP3 789 30.792 -26.916 -29.619 1.00 0.00 WAT +ATOM 8677 H2 TIP3 789 31.864 -26.705 -28.619 1.00 0.00 WAT +ATOM 8678 OH2 TIP3 790 29.305 -30.850 -25.022 1.00 0.00 WAT +ATOM 8679 H1 TIP3 790 28.422 -30.765 -24.623 1.00 0.00 WAT +ATOM 8680 H2 TIP3 790 29.761 -30.050 -24.709 1.00 0.00 WAT +ATOM 8681 OH2 TIP3 791 30.704 -32.020 -39.314 1.00 0.00 WAT +ATOM 8682 H1 TIP3 791 31.580 -31.597 -39.194 1.00 0.00 WAT +ATOM 8683 H2 TIP3 791 30.709 -32.632 -38.552 1.00 0.00 WAT +ATOM 8684 OH2 TIP3 792 31.162 -34.026 -37.338 1.00 0.00 WAT +ATOM 8685 H1 TIP3 792 30.506 -34.565 -36.856 1.00 0.00 WAT +ATOM 8686 H2 TIP3 792 31.853 -33.856 -36.664 1.00 0.00 WAT +ATOM 8687 OH2 TIP3 793 30.870 -31.494 -32.354 1.00 0.00 WAT +ATOM 8688 H1 TIP3 793 31.505 -31.975 -32.906 1.00 0.00 WAT +ATOM 8689 H2 TIP3 793 31.083 -30.572 -32.597 1.00 0.00 WAT +ATOM 8690 OH2 TIP3 794 29.634 -28.571 -30.085 1.00 0.00 WAT +ATOM 8691 H1 TIP3 794 28.886 -28.178 -29.603 1.00 0.00 WAT +ATOM 8692 H2 TIP3 794 29.196 -28.947 -30.874 1.00 0.00 WAT +ATOM 8693 OH2 TIP3 795 31.418 -34.358 -41.075 1.00 0.00 WAT +ATOM 8694 H1 TIP3 795 30.839 -33.988 -41.757 1.00 0.00 WAT +ATOM 8695 H2 TIP3 795 31.284 -33.702 -40.369 1.00 0.00 WAT +ATOM 8696 OH2 TIP3 796 29.627 -36.970 -42.197 1.00 0.00 WAT +ATOM 8697 H1 TIP3 796 29.986 -36.206 -42.678 1.00 0.00 WAT +ATOM 8698 H2 TIP3 796 30.110 -37.700 -42.595 1.00 0.00 WAT +ATOM 8699 OH2 TIP3 797 29.089 -35.856 -36.498 1.00 0.00 WAT +ATOM 8700 H1 TIP3 797 29.004 -36.809 -36.655 1.00 0.00 WAT +ATOM 8701 H2 TIP3 797 28.721 -35.757 -35.597 1.00 0.00 WAT +ATOM 8702 OH2 TIP3 798 13.949 -33.641 -32.801 1.00 0.00 WAT +ATOM 8703 H1 TIP3 798 14.203 -33.589 -33.737 1.00 0.00 WAT +ATOM 8704 H2 TIP3 798 14.812 -33.858 -32.393 1.00 0.00 WAT +ATOM 8705 OH2 TIP3 799 29.709 -33.928 -27.345 1.00 0.00 WAT +ATOM 8706 H1 TIP3 799 30.456 -34.536 -27.186 1.00 0.00 WAT +ATOM 8707 H2 TIP3 799 30.157 -33.097 -27.554 1.00 0.00 WAT +ATOM 8708 OH2 TIP3 800 31.265 -35.838 -26.134 1.00 0.00 WAT +ATOM 8709 H1 TIP3 800 30.472 -36.365 -26.369 1.00 0.00 WAT +ATOM 8710 H2 TIP3 800 31.962 -36.518 -26.157 1.00 0.00 WAT +ATOM 8711 OH2 TIP3 801 28.906 -40.227 -43.406 1.00 0.00 WAT +ATOM 8712 H1 TIP3 801 29.502 -40.441 -42.675 1.00 0.00 WAT +ATOM 8713 H2 TIP3 801 28.027 -40.445 -43.063 1.00 0.00 WAT +ATOM 8714 OH2 TIP3 802 28.864 -38.266 -38.366 1.00 0.00 WAT +ATOM 8715 H1 TIP3 802 29.080 -39.224 -38.279 1.00 0.00 WAT +ATOM 8716 H2 TIP3 802 29.708 -37.924 -38.703 1.00 0.00 WAT +ATOM 8717 OH2 TIP3 803 29.195 -37.741 -32.922 1.00 0.00 WAT +ATOM 8718 H1 TIP3 803 30.171 -37.666 -32.938 1.00 0.00 WAT +ATOM 8719 H2 TIP3 803 29.048 -37.754 -31.961 1.00 0.00 WAT +ATOM 8720 OH2 TIP3 804 29.342 -37.062 -30.061 1.00 0.00 WAT +ATOM 8721 H1 TIP3 804 28.501 -36.640 -29.801 1.00 0.00 WAT +ATOM 8722 H2 TIP3 804 29.893 -36.286 -30.281 1.00 0.00 WAT +ATOM 8723 OH2 TIP3 805 13.806 -38.353 -26.262 1.00 0.00 WAT +ATOM 8724 H1 TIP3 805 14.724 -38.588 -26.452 1.00 0.00 WAT +ATOM 8725 H2 TIP3 805 13.360 -39.213 -26.304 1.00 0.00 WAT +ATOM 8726 OH2 TIP3 806 31.417 -42.815 -24.327 1.00 0.00 WAT +ATOM 8727 H1 TIP3 806 32.136 -43.449 -24.474 1.00 0.00 WAT +ATOM 8728 H2 TIP3 806 31.505 -42.167 -25.067 1.00 0.00 WAT +ATOM 8729 OH2 TIP3 807 29.240 -40.972 -38.232 1.00 0.00 WAT +ATOM 8730 H1 TIP3 807 29.485 -41.464 -37.435 1.00 0.00 WAT +ATOM 8731 H2 TIP3 807 28.615 -41.594 -38.651 1.00 0.00 WAT +ATOM 8732 OH2 TIP3 808 14.558 -39.892 -33.618 1.00 0.00 WAT +ATOM 8733 H1 TIP3 808 14.856 -40.822 -33.500 1.00 0.00 WAT +ATOM 8734 H2 TIP3 808 15.299 -39.402 -33.217 1.00 0.00 WAT +ATOM 8735 OH2 TIP3 809 13.173 -37.286 -32.562 1.00 0.00 WAT +ATOM 8736 H1 TIP3 809 13.750 -37.325 -33.339 1.00 0.00 WAT +ATOM 8737 H2 TIP3 809 13.539 -36.530 -32.086 1.00 0.00 WAT +ATOM 8738 OH2 TIP3 810 31.290 -41.108 -26.444 1.00 0.00 WAT +ATOM 8739 H1 TIP3 810 30.438 -40.635 -26.385 1.00 0.00 WAT +ATOM 8740 H2 TIP3 810 31.207 -41.465 -27.346 1.00 0.00 WAT +ATOM 8741 OH2 TIP3 811 31.411 -40.724 -41.764 1.00 0.00 WAT +ATOM 8742 H1 TIP3 811 31.703 -41.464 -42.306 1.00 0.00 WAT +ATOM 8743 H2 TIP3 811 32.220 -40.192 -41.687 1.00 0.00 WAT +ATOM 8744 OH2 TIP3 812 13.716 -40.983 -38.505 1.00 0.00 WAT +ATOM 8745 H1 TIP3 812 12.765 -40.979 -38.708 1.00 0.00 WAT +ATOM 8746 H2 TIP3 812 14.077 -40.322 -39.128 1.00 0.00 WAT +ATOM 8747 OH2 TIP3 813 28.294 -25.703 -36.396 1.00 0.00 WAT +ATOM 8748 H1 TIP3 813 28.769 -25.963 -37.204 1.00 0.00 WAT +ATOM 8749 H2 TIP3 813 29.011 -25.320 -35.876 1.00 0.00 WAT +ATOM 8750 OH2 TIP3 814 13.490 -41.264 -29.997 1.00 0.00 WAT +ATOM 8751 H1 TIP3 814 13.488 -42.203 -29.727 1.00 0.00 WAT +ATOM 8752 H2 TIP3 814 13.252 -41.336 -30.932 1.00 0.00 WAT +ATOM 8753 OH2 TIP3 815 15.703 -28.973 -25.679 1.00 0.00 WAT +ATOM 8754 H1 TIP3 815 14.959 -28.961 -26.299 1.00 0.00 WAT +ATOM 8755 H2 TIP3 815 15.259 -28.998 -24.821 1.00 0.00 WAT +ATOM 8756 OH2 TIP3 816 18.544 -27.998 -30.013 1.00 0.00 WAT +ATOM 8757 H1 TIP3 816 18.219 -27.139 -30.331 1.00 0.00 WAT +ATOM 8758 H2 TIP3 816 19.502 -27.886 -30.177 1.00 0.00 WAT +ATOM 8759 OH2 TIP3 817 23.064 -26.699 -26.991 1.00 0.00 WAT +ATOM 8760 H1 TIP3 817 23.160 -26.847 -26.035 1.00 0.00 WAT +ATOM 8761 H2 TIP3 817 23.893 -26.231 -27.205 1.00 0.00 WAT +ATOM 8762 OH2 TIP3 818 25.374 -25.164 -27.765 1.00 0.00 WAT +ATOM 8763 H1 TIP3 818 26.005 -25.871 -27.963 1.00 0.00 WAT +ATOM 8764 H2 TIP3 818 25.633 -24.924 -26.852 1.00 0.00 WAT +ATOM 8765 OH2 TIP3 819 29.932 -42.770 -28.543 1.00 0.00 WAT +ATOM 8766 H1 TIP3 819 29.426 -42.137 -29.083 1.00 0.00 WAT +ATOM 8767 H2 TIP3 819 30.098 -43.452 -29.213 1.00 0.00 WAT +ATOM 8768 OH2 TIP3 820 15.904 -25.059 -29.685 1.00 0.00 WAT +ATOM 8769 H1 TIP3 820 15.305 -24.425 -30.121 1.00 0.00 WAT +ATOM 8770 H2 TIP3 820 15.664 -24.903 -28.760 1.00 0.00 WAT +ATOM 8771 OH2 TIP3 821 18.414 -25.236 -31.110 1.00 0.00 WAT +ATOM 8772 H1 TIP3 821 17.556 -25.093 -30.660 1.00 0.00 WAT +ATOM 8773 H2 TIP3 821 18.405 -24.538 -31.785 1.00 0.00 WAT +ATOM 8774 OH2 TIP3 822 23.178 -25.261 -31.554 1.00 0.00 WAT +ATOM 8775 H1 TIP3 822 22.781 -24.813 -32.320 1.00 0.00 WAT +ATOM 8776 H2 TIP3 822 23.226 -24.531 -30.907 1.00 0.00 WAT +ATOM 8777 OH2 TIP3 823 25.573 -26.442 -30.647 1.00 0.00 WAT +ATOM 8778 H1 TIP3 823 24.684 -26.199 -30.967 1.00 0.00 WAT +ATOM 8779 H2 TIP3 823 26.026 -25.595 -30.714 1.00 0.00 WAT +ATOM 8780 OH2 TIP3 824 28.054 -24.342 -30.592 1.00 0.00 WAT +ATOM 8781 H1 TIP3 824 27.807 -23.657 -31.233 1.00 0.00 WAT +ATOM 8782 H2 TIP3 824 28.311 -25.045 -31.217 1.00 0.00 WAT +ATOM 8783 OH2 TIP3 825 15.517 -26.215 -32.733 1.00 0.00 WAT +ATOM 8784 H1 TIP3 825 15.459 -26.694 -31.877 1.00 0.00 WAT +ATOM 8785 H2 TIP3 825 16.265 -26.685 -33.149 1.00 0.00 WAT +ATOM 8786 OH2 TIP3 826 17.531 -27.485 -34.306 1.00 0.00 WAT +ATOM 8787 H1 TIP3 826 17.352 -28.405 -34.014 1.00 0.00 WAT +ATOM 8788 H2 TIP3 826 18.428 -27.336 -33.951 1.00 0.00 WAT +ATOM 8789 OH2 TIP3 827 20.285 -27.003 -33.394 1.00 0.00 WAT +ATOM 8790 H1 TIP3 827 20.464 -27.936 -33.611 1.00 0.00 WAT +ATOM 8791 H2 TIP3 827 20.339 -27.039 -32.425 1.00 0.00 WAT +ATOM 8792 OH2 TIP3 828 23.569 -41.124 -34.112 1.00 0.00 WAT +ATOM 8793 H1 TIP3 828 22.945 -41.820 -33.825 1.00 0.00 WAT +ATOM 8794 H2 TIP3 828 24.171 -41.621 -34.686 1.00 0.00 WAT +ATOM 8795 OH2 TIP3 829 28.863 -43.292 -33.638 1.00 0.00 WAT +ATOM 8796 H1 TIP3 829 29.448 -42.885 -34.300 1.00 0.00 WAT +ATOM 8797 H2 TIP3 829 27.983 -43.064 -33.964 1.00 0.00 WAT +ATOM 8798 OH2 TIP3 830 30.808 -42.248 -35.828 1.00 0.00 WAT +ATOM 8799 H1 TIP3 830 31.343 -42.455 -36.600 1.00 0.00 WAT +ATOM 8800 H2 TIP3 830 31.004 -41.301 -35.692 1.00 0.00 WAT +ATOM 8801 OH2 TIP3 831 15.942 -42.835 -36.818 1.00 0.00 WAT +ATOM 8802 H1 TIP3 831 15.005 -43.003 -36.973 1.00 0.00 WAT +ATOM 8803 H2 TIP3 831 16.236 -43.656 -36.412 1.00 0.00 WAT +ATOM 8804 OH2 TIP3 832 14.555 -42.822 -40.678 1.00 0.00 WAT +ATOM 8805 H1 TIP3 832 15.045 -42.283 -41.331 1.00 0.00 WAT +ATOM 8806 H2 TIP3 832 14.160 -42.136 -40.117 1.00 0.00 WAT +ATOM 8807 OH2 TIP3 833 20.427 -42.314 -36.583 1.00 0.00 WAT +ATOM 8808 H1 TIP3 833 21.389 -42.335 -36.686 1.00 0.00 WAT +ATOM 8809 H2 TIP3 833 20.275 -42.901 -35.835 1.00 0.00 WAT +ATOM 8810 OH2 TIP3 834 25.984 -42.648 -35.154 1.00 0.00 WAT +ATOM 8811 H1 TIP3 834 26.302 -42.629 -36.065 1.00 0.00 WAT +ATOM 8812 H2 TIP3 834 25.835 -43.590 -34.989 1.00 0.00 WAT +ATOM 8813 OH2 TIP3 835 27.054 -42.709 -39.172 1.00 0.00 WAT +ATOM 8814 H1 TIP3 835 26.305 -42.139 -39.433 1.00 0.00 WAT +ATOM 8815 H2 TIP3 835 26.670 -43.595 -39.186 1.00 0.00 WAT +ATOM 8816 OH2 TIP3 836 14.831 -26.954 -39.663 1.00 0.00 WAT +ATOM 8817 H1 TIP3 836 14.111 -26.979 -40.317 1.00 0.00 WAT +ATOM 8818 H2 TIP3 836 14.815 -26.023 -39.419 1.00 0.00 WAT +ATOM 8819 OH2 TIP3 837 16.422 -41.208 -42.257 1.00 0.00 WAT +ATOM 8820 H1 TIP3 837 17.050 -41.643 -42.846 1.00 0.00 WAT +ATOM 8821 H2 TIP3 837 17.018 -40.616 -41.764 1.00 0.00 WAT +ATOM 8822 OH2 TIP3 838 21.657 -40.568 -39.859 1.00 0.00 WAT +ATOM 8823 H1 TIP3 838 21.756 -41.421 -39.390 1.00 0.00 WAT +ATOM 8824 H2 TIP3 838 21.847 -39.908 -39.165 1.00 0.00 WAT +ATOM 8825 OH2 TIP3 839 23.495 -25.294 -41.466 1.00 0.00 WAT +ATOM 8826 H1 TIP3 839 24.468 -25.174 -41.391 1.00 0.00 WAT +ATOM 8827 H2 TIP3 839 23.466 -25.914 -42.219 1.00 0.00 WAT +ATOM 8828 OH2 TIP3 840 30.220 -26.155 -38.797 1.00 0.00 WAT +ATOM 8829 H1 TIP3 840 29.937 -26.968 -39.258 1.00 0.00 WAT +ATOM 8830 H2 TIP3 840 29.996 -25.457 -39.455 1.00 0.00 WAT +ATOM 8831 OH2 TIP3 841 15.557 -41.777 -27.310 1.00 0.00 WAT +ATOM 8832 H1 TIP3 841 15.090 -42.568 -27.008 1.00 0.00 WAT +ATOM 8833 H2 TIP3 841 16.438 -42.160 -27.433 1.00 0.00 WAT +ATOM 8834 OH2 TIP3 842 18.488 -42.789 -24.679 1.00 0.00 WAT +ATOM 8835 H1 TIP3 842 19.355 -43.059 -25.055 1.00 0.00 WAT +ATOM 8836 H2 TIP3 842 18.245 -43.570 -24.171 1.00 0.00 WAT +ATOM 8837 OH2 TIP3 843 16.847 -25.870 -42.320 1.00 0.00 WAT +ATOM 8838 H1 TIP3 843 16.393 -25.646 -41.498 1.00 0.00 WAT +ATOM 8839 H2 TIP3 843 17.449 -26.574 -42.062 1.00 0.00 WAT +ATOM 8840 OH2 TIP3 844 29.626 -27.348 -26.434 1.00 0.00 WAT +ATOM 8841 H1 TIP3 844 28.886 -27.565 -27.029 1.00 0.00 WAT +ATOM 8842 H2 TIP3 844 29.392 -26.444 -26.169 1.00 0.00 WAT +ATOM 8843 OH2 TIP3 845 42.146 -34.628 -33.119 1.00 0.00 WAT +ATOM 8844 H1 TIP3 845 42.919 -34.297 -32.623 1.00 0.00 WAT +ATOM 8845 H2 TIP3 845 42.461 -34.593 -34.028 1.00 0.00 WAT +ATOM 8846 OH2 TIP3 846 35.155 -34.659 -31.527 1.00 0.00 WAT +ATOM 8847 H1 TIP3 846 35.155 -35.384 -30.876 1.00 0.00 WAT +ATOM 8848 H2 TIP3 846 35.859 -34.090 -31.184 1.00 0.00 WAT +ATOM 8849 OH2 TIP3 847 35.768 -29.988 -32.856 1.00 0.00 WAT +ATOM 8850 H1 TIP3 847 35.540 -30.818 -33.314 1.00 0.00 WAT +ATOM 8851 H2 TIP3 847 36.733 -30.014 -32.904 1.00 0.00 WAT +ATOM 8852 OH2 TIP3 848 32.817 -36.640 -37.645 1.00 0.00 WAT +ATOM 8853 H1 TIP3 848 32.467 -35.748 -37.480 1.00 0.00 WAT +ATOM 8854 H2 TIP3 848 32.060 -37.069 -38.064 1.00 0.00 WAT +ATOM 8855 OH2 TIP3 849 33.579 -34.179 -35.833 1.00 0.00 WAT +ATOM 8856 H1 TIP3 849 33.779 -34.961 -35.284 1.00 0.00 WAT +ATOM 8857 H2 TIP3 849 34.446 -33.961 -36.201 1.00 0.00 WAT +ATOM 8858 OH2 TIP3 850 41.200 -31.720 -32.527 1.00 0.00 WAT +ATOM 8859 H1 TIP3 850 41.463 -32.449 -33.109 1.00 0.00 WAT +ATOM 8860 H2 TIP3 850 42.037 -31.502 -32.099 1.00 0.00 WAT +ATOM 8861 OH2 TIP3 851 37.424 -39.419 -35.031 1.00 0.00 WAT +ATOM 8862 H1 TIP3 851 37.592 -38.555 -35.460 1.00 0.00 WAT +ATOM 8863 H2 TIP3 851 37.063 -39.915 -35.789 1.00 0.00 WAT +ATOM 8864 OH2 TIP3 852 34.115 -36.640 -34.537 1.00 0.00 WAT +ATOM 8865 H1 TIP3 852 34.735 -37.112 -33.960 1.00 0.00 WAT +ATOM 8866 H2 TIP3 852 34.208 -37.130 -35.372 1.00 0.00 WAT +ATOM 8867 OH2 TIP3 853 39.525 -35.284 -35.073 1.00 0.00 WAT +ATOM 8868 H1 TIP3 853 40.271 -35.808 -34.718 1.00 0.00 WAT +ATOM 8869 H2 TIP3 853 39.021 -35.978 -35.533 1.00 0.00 WAT +ATOM 8870 OH2 TIP3 854 36.208 -40.576 -30.876 1.00 0.00 WAT +ATOM 8871 H1 TIP3 854 35.897 -39.995 -31.590 1.00 0.00 WAT +ATOM 8872 H2 TIP3 854 35.549 -40.362 -30.184 1.00 0.00 WAT +ATOM 8873 OH2 TIP3 855 39.151 -32.752 -30.743 1.00 0.00 WAT +ATOM 8874 H1 TIP3 855 38.422 -32.145 -30.493 1.00 0.00 WAT +ATOM 8875 H2 TIP3 855 39.796 -32.139 -31.138 1.00 0.00 WAT +ATOM 8876 OH2 TIP3 856 35.841 -38.573 -32.927 1.00 0.00 WAT +ATOM 8877 H1 TIP3 856 36.457 -37.947 -32.489 1.00 0.00 WAT +ATOM 8878 H2 TIP3 856 36.414 -38.898 -33.656 1.00 0.00 WAT +ATOM 8879 OH2 TIP3 857 37.157 -30.844 -30.000 1.00 0.00 WAT +ATOM 8880 H1 TIP3 857 37.111 -29.972 -30.432 1.00 0.00 WAT +ATOM 8881 H2 TIP3 857 36.271 -30.869 -29.595 1.00 0.00 WAT +ATOM 8882 OH2 TIP3 858 33.411 -31.007 -39.166 1.00 0.00 WAT +ATOM 8883 H1 TIP3 858 33.272 -30.500 -39.984 1.00 0.00 WAT +ATOM 8884 H2 TIP3 858 33.721 -30.323 -38.534 1.00 0.00 WAT +ATOM 8885 OH2 TIP3 859 40.466 43.797 -33.629 1.00 0.00 WAT +ATOM 8886 H1 TIP3 859 40.403 42.850 -33.475 1.00 0.00 WAT +ATOM 8887 H2 TIP3 859 39.614 44.163 -33.318 1.00 0.00 WAT +ATOM 8888 OH2 TIP3 860 42.679 -34.305 -39.193 1.00 0.00 WAT +ATOM 8889 H1 TIP3 860 41.988 -33.614 -39.232 1.00 0.00 WAT +ATOM 8890 H2 TIP3 860 43.344 -33.923 -39.766 1.00 0.00 WAT +ATOM 8891 OH2 TIP3 861 42.869 -35.747 -42.128 1.00 0.00 WAT +ATOM 8892 H1 TIP3 861 43.530 -35.698 -41.418 1.00 0.00 WAT +ATOM 8893 H2 TIP3 861 42.998 -36.633 -42.467 1.00 0.00 WAT +ATOM 8894 OH2 TIP3 862 37.586 -33.407 -36.128 1.00 0.00 WAT +ATOM 8895 H1 TIP3 862 37.290 -33.813 -36.962 1.00 0.00 WAT +ATOM 8896 H2 TIP3 862 38.248 -34.046 -35.808 1.00 0.00 WAT +ATOM 8897 OH2 TIP3 863 38.977 -29.986 -33.393 1.00 0.00 WAT +ATOM 8898 H1 TIP3 863 38.855 -30.343 -34.284 1.00 0.00 WAT +ATOM 8899 H2 TIP3 863 39.769 -30.463 -33.083 1.00 0.00 WAT +ATOM 8900 OH2 TIP3 864 38.171 -34.592 -32.661 1.00 0.00 WAT +ATOM 8901 H1 TIP3 864 38.758 -34.570 -33.442 1.00 0.00 WAT +ATOM 8902 H2 TIP3 864 38.561 -33.904 -32.087 1.00 0.00 WAT +ATOM 8903 OH2 TIP3 865 39.028 -30.235 -27.842 1.00 0.00 WAT +ATOM 8904 H1 TIP3 865 38.520 -29.560 -27.360 1.00 0.00 WAT +ATOM 8905 H2 TIP3 865 38.395 -30.481 -28.545 1.00 0.00 WAT +ATOM 8906 OH2 TIP3 866 35.952 -33.894 -28.682 1.00 0.00 WAT +ATOM 8907 H1 TIP3 866 36.006 -33.270 -27.934 1.00 0.00 WAT +ATOM 8908 H2 TIP3 866 34.990 -33.969 -28.799 1.00 0.00 WAT +ATOM 8909 OH2 TIP3 867 42.570 -28.130 -37.014 1.00 0.00 WAT +ATOM 8910 H1 TIP3 867 42.997 -27.645 -36.288 1.00 0.00 WAT +ATOM 8911 H2 TIP3 867 42.012 -27.444 -37.406 1.00 0.00 WAT +ATOM 8912 OH2 TIP3 868 37.103 -28.040 -27.010 1.00 0.00 WAT +ATOM 8913 H1 TIP3 868 37.007 -28.020 -27.980 1.00 0.00 WAT +ATOM 8914 H2 TIP3 868 36.226 -28.345 -26.707 1.00 0.00 WAT +ATOM 8915 OH2 TIP3 869 36.540 -34.661 -38.669 1.00 0.00 WAT +ATOM 8916 H1 TIP3 869 36.283 -33.857 -39.156 1.00 0.00 WAT +ATOM 8917 H2 TIP3 869 35.801 -35.250 -38.862 1.00 0.00 WAT +ATOM 8918 OH2 TIP3 870 32.542 -31.961 -29.881 1.00 0.00 WAT +ATOM 8919 H1 TIP3 870 32.140 -31.935 -30.772 1.00 0.00 WAT +ATOM 8920 H2 TIP3 870 32.684 -32.916 -29.748 1.00 0.00 WAT +ATOM 8921 OH2 TIP3 871 32.591 -29.191 -32.814 1.00 0.00 WAT +ATOM 8922 H1 TIP3 871 33.526 -29.348 -33.024 1.00 0.00 WAT +ATOM 8923 H2 TIP3 871 32.651 -28.428 -32.228 1.00 0.00 WAT +ATOM 8924 OH2 TIP3 872 41.735 -29.218 -28.327 1.00 0.00 WAT +ATOM 8925 H1 TIP3 872 41.805 -28.327 -27.956 1.00 0.00 WAT +ATOM 8926 H2 TIP3 872 40.817 -29.476 -28.124 1.00 0.00 WAT +ATOM 8927 OH2 TIP3 873 41.889 -25.402 -38.452 1.00 0.00 WAT +ATOM 8928 H1 TIP3 873 42.037 -25.346 -39.406 1.00 0.00 WAT +ATOM 8929 H2 TIP3 873 42.069 -24.509 -38.132 1.00 0.00 WAT +ATOM 8930 OH2 TIP3 874 34.720 -30.390 -28.614 1.00 0.00 WAT +ATOM 8931 H1 TIP3 874 35.020 -30.903 -27.838 1.00 0.00 WAT +ATOM 8932 H2 TIP3 874 34.015 -30.944 -28.995 1.00 0.00 WAT +ATOM 8933 OH2 TIP3 875 37.982 -42.195 -32.736 1.00 0.00 WAT +ATOM 8934 H1 TIP3 875 37.160 -42.450 -33.183 1.00 0.00 WAT +ATOM 8935 H2 TIP3 875 37.724 -41.348 -32.338 1.00 0.00 WAT +ATOM 8936 OH2 TIP3 876 42.266 -43.086 -29.132 1.00 0.00 WAT +ATOM 8937 H1 TIP3 876 42.575 -43.141 -28.224 1.00 0.00 WAT +ATOM 8938 H2 TIP3 876 41.332 -42.834 -29.025 1.00 0.00 WAT +ATOM 8939 OH2 TIP3 877 42.210 -39.838 -42.046 1.00 0.00 WAT +ATOM 8940 H1 TIP3 877 41.561 -39.938 -41.331 1.00 0.00 WAT +ATOM 8941 H2 TIP3 877 41.906 -40.515 -42.662 1.00 0.00 WAT +ATOM 8942 OH2 TIP3 878 37.779 -37.149 -31.476 1.00 0.00 WAT +ATOM 8943 H1 TIP3 878 37.173 -37.013 -30.730 1.00 0.00 WAT +ATOM 8944 H2 TIP3 878 37.881 -36.241 -31.838 1.00 0.00 WAT +ATOM 8945 OH2 TIP3 879 37.746 -37.114 -36.580 1.00 0.00 WAT +ATOM 8946 H1 TIP3 879 36.788 -37.172 -36.746 1.00 0.00 WAT +ATOM 8947 H2 TIP3 879 38.093 -37.242 -37.484 1.00 0.00 WAT +ATOM 8948 OH2 TIP3 880 42.790 -36.731 -37.071 1.00 0.00 WAT +ATOM 8949 H1 TIP3 880 42.779 -35.777 -37.241 1.00 0.00 WAT +ATOM 8950 H2 TIP3 880 43.733 -36.940 -37.011 1.00 0.00 WAT +ATOM 8951 OH2 TIP3 881 42.499 -36.263 -26.283 1.00 0.00 WAT +ATOM 8952 H1 TIP3 881 41.934 -37.058 -26.166 1.00 0.00 WAT +ATOM 8953 H2 TIP3 881 43.373 -36.701 -26.253 1.00 0.00 WAT +ATOM 8954 OH2 TIP3 882 35.199 -36.979 -29.652 1.00 0.00 WAT +ATOM 8955 H1 TIP3 882 35.420 -36.667 -28.767 1.00 0.00 WAT +ATOM 8956 H2 TIP3 882 34.788 -37.843 -29.455 1.00 0.00 WAT +ATOM 8957 OH2 TIP3 883 38.894 -39.623 -43.180 1.00 0.00 WAT +ATOM 8958 H1 TIP3 883 38.611 -39.860 -42.281 1.00 0.00 WAT +ATOM 8959 H2 TIP3 883 38.156 -39.054 -43.464 1.00 0.00 WAT +ATOM 8960 OH2 TIP3 884 31.953 -39.589 -36.011 1.00 0.00 WAT +ATOM 8961 H1 TIP3 884 32.528 -39.552 -35.222 1.00 0.00 WAT +ATOM 8962 H2 TIP3 884 32.536 -39.931 -36.698 1.00 0.00 WAT +ATOM 8963 OH2 TIP3 885 33.524 -39.118 -40.390 1.00 0.00 WAT +ATOM 8964 H1 TIP3 885 34.117 -38.621 -40.988 1.00 0.00 WAT +ATOM 8965 H2 TIP3 885 32.880 -38.426 -40.153 1.00 0.00 WAT +ATOM 8966 OH2 TIP3 886 43.514 -35.726 -30.230 1.00 0.00 WAT +ATOM 8967 H1 TIP3 886 43.799 -36.391 -30.890 1.00 0.00 WAT +ATOM 8968 H2 TIP3 886 42.720 -36.148 -29.882 1.00 0.00 WAT +ATOM 8969 OH2 TIP3 887 40.479 -39.742 -35.602 1.00 0.00 WAT +ATOM 8970 H1 TIP3 887 39.561 -39.600 -35.326 1.00 0.00 WAT +ATOM 8971 H2 TIP3 887 40.949 -39.504 -34.784 1.00 0.00 WAT +ATOM 8972 OH2 TIP3 888 35.078 -38.290 -36.886 1.00 0.00 WAT +ATOM 8973 H1 TIP3 888 34.274 -37.985 -37.344 1.00 0.00 WAT +ATOM 8974 H2 TIP3 888 35.348 -39.084 -37.385 1.00 0.00 WAT +ATOM 8975 OH2 TIP3 889 38.673 -37.890 -39.236 1.00 0.00 WAT +ATOM 8976 H1 TIP3 889 39.640 -37.814 -39.179 1.00 0.00 WAT +ATOM 8977 H2 TIP3 889 38.437 -37.288 -39.965 1.00 0.00 WAT +ATOM 8978 OH2 TIP3 890 37.306 -36.774 -41.577 1.00 0.00 WAT +ATOM 8979 H1 TIP3 890 36.667 -37.219 -42.154 1.00 0.00 WAT +ATOM 8980 H2 TIP3 890 38.032 -36.555 -42.180 1.00 0.00 WAT +ATOM 8981 OH2 TIP3 891 35.818 -31.961 -26.471 1.00 0.00 WAT +ATOM 8982 H1 TIP3 891 36.501 -31.866 -25.774 1.00 0.00 WAT +ATOM 8983 H2 TIP3 891 35.017 -31.955 -25.913 1.00 0.00 WAT +ATOM 8984 OH2 TIP3 892 41.371 -37.409 -34.152 1.00 0.00 WAT +ATOM 8985 H1 TIP3 892 42.180 -37.643 -34.624 1.00 0.00 WAT +ATOM 8986 H2 TIP3 892 41.664 -37.442 -33.226 1.00 0.00 WAT +ATOM 8987 OH2 TIP3 893 36.684 -40.661 -37.555 1.00 0.00 WAT +ATOM 8988 H1 TIP3 893 36.222 -41.511 -37.441 1.00 0.00 WAT +ATOM 8989 H2 TIP3 893 37.535 -40.936 -37.922 1.00 0.00 WAT +ATOM 8990 OH2 TIP3 894 40.468 -38.608 -31.413 1.00 0.00 WAT +ATOM 8991 H1 TIP3 894 39.797 -37.935 -31.621 1.00 0.00 WAT +ATOM 8992 H2 TIP3 894 41.000 -38.153 -30.741 1.00 0.00 WAT +ATOM 8993 OH2 TIP3 895 40.724 -32.281 -39.542 1.00 0.00 WAT +ATOM 8994 H1 TIP3 895 39.916 -32.689 -39.906 1.00 0.00 WAT +ATOM 8995 H2 TIP3 895 40.486 -32.130 -38.596 1.00 0.00 WAT +ATOM 8996 OH2 TIP3 896 42.081 -32.239 -28.317 1.00 0.00 WAT +ATOM 8997 H1 TIP3 896 41.825 -32.325 -27.396 1.00 0.00 WAT +ATOM 8998 H2 TIP3 896 42.129 -31.278 -28.446 1.00 0.00 WAT +ATOM 8999 OH2 TIP3 897 35.750 -32.726 -33.783 1.00 0.00 WAT +ATOM 9000 H1 TIP3 897 36.319 -32.755 -34.569 1.00 0.00 WAT +ATOM 9001 H2 TIP3 897 35.932 -33.579 -33.363 1.00 0.00 WAT +ATOM 9002 OH2 TIP3 898 42.841 -30.813 -40.520 1.00 0.00 WAT +ATOM 9003 H1 TIP3 898 42.540 -29.905 -40.316 1.00 0.00 WAT +ATOM 9004 H2 TIP3 898 42.073 -31.334 -40.207 1.00 0.00 WAT +ATOM 9005 OH2 TIP3 899 33.036 -34.437 -28.515 1.00 0.00 WAT +ATOM 9006 H1 TIP3 899 33.200 -34.888 -27.663 1.00 0.00 WAT +ATOM 9007 H2 TIP3 899 32.442 -35.051 -28.977 1.00 0.00 WAT +ATOM 9008 OH2 TIP3 900 40.014 -34.941 -26.490 1.00 0.00 WAT +ATOM 9009 H1 TIP3 900 39.660 -35.228 -27.350 1.00 0.00 WAT +ATOM 9010 H2 TIP3 900 40.957 -35.171 -26.588 1.00 0.00 WAT +ATOM 9011 OH2 TIP3 901 38.202 -29.437 -36.501 1.00 0.00 WAT +ATOM 9012 H1 TIP3 901 38.475 -28.530 -36.700 1.00 0.00 WAT +ATOM 9013 H2 TIP3 901 37.229 -29.373 -36.636 1.00 0.00 WAT +ATOM 9014 OH2 TIP3 902 34.231 -34.499 -41.991 1.00 0.00 WAT +ATOM 9015 H1 TIP3 902 34.786 -33.844 -41.523 1.00 0.00 WAT +ATOM 9016 H2 TIP3 902 33.341 -34.286 -41.652 1.00 0.00 WAT +ATOM 9017 OH2 TIP3 903 39.949 -31.753 -36.943 1.00 0.00 WAT +ATOM 9018 H1 TIP3 903 39.697 -30.831 -36.759 1.00 0.00 WAT +ATOM 9019 H2 TIP3 903 39.242 -32.228 -36.481 1.00 0.00 WAT +ATOM 9020 OH2 TIP3 904 40.200 -27.438 -30.493 1.00 0.00 WAT +ATOM 9021 H1 TIP3 904 40.769 -26.726 -30.856 1.00 0.00 WAT +ATOM 9022 H2 TIP3 904 40.853 -27.954 -30.000 1.00 0.00 WAT +ATOM 9023 OH2 TIP3 905 38.312 -26.444 -37.405 1.00 0.00 WAT +ATOM 9024 H1 TIP3 905 37.395 -26.483 -37.106 1.00 0.00 WAT +ATOM 9025 H2 TIP3 905 38.621 -25.583 -37.068 1.00 0.00 WAT +ATOM 9026 OH2 TIP3 906 34.371 -39.617 -28.923 1.00 0.00 WAT +ATOM 9027 H1 TIP3 906 33.462 -39.423 -29.242 1.00 0.00 WAT +ATOM 9028 H2 TIP3 906 34.203 -40.481 -28.490 1.00 0.00 WAT +ATOM 9029 OH2 TIP3 907 34.072 -27.967 -30.460 1.00 0.00 WAT +ATOM 9030 H1 TIP3 907 34.374 -28.888 -30.449 1.00 0.00 WAT +ATOM 9031 H2 TIP3 907 34.424 -27.656 -29.618 1.00 0.00 WAT +ATOM 9032 OH2 TIP3 908 40.156 -29.412 -43.319 1.00 0.00 WAT +ATOM 9033 H1 TIP3 908 40.740 -30.170 -43.487 1.00 0.00 WAT +ATOM 9034 H2 TIP3 908 39.716 -29.685 -42.486 1.00 0.00 WAT +ATOM 9035 OH2 TIP3 909 38.863 -29.900 -40.782 1.00 0.00 WAT +ATOM 9036 H1 TIP3 909 39.253 -30.386 -40.042 1.00 0.00 WAT +ATOM 9037 H2 TIP3 909 38.959 -28.974 -40.481 1.00 0.00 WAT +ATOM 9038 OH2 TIP3 910 35.583 -32.452 -40.352 1.00 0.00 WAT +ATOM 9039 H1 TIP3 910 34.850 -32.037 -39.851 1.00 0.00 WAT +ATOM 9040 H2 TIP3 910 36.082 -31.659 -40.604 1.00 0.00 WAT +ATOM 9041 OH2 TIP3 911 43.290 -39.289 -29.773 1.00 0.00 WAT +ATOM 9042 H1 TIP3 911 43.917 -40.029 -29.879 1.00 0.00 WAT +ATOM 9043 H2 TIP3 911 42.696 -39.556 -30.492 1.00 0.00 WAT +ATOM 9044 OH2 TIP3 912 41.691 -28.216 -40.250 1.00 0.00 WAT +ATOM 9045 H1 TIP3 912 40.880 -27.735 -40.013 1.00 0.00 WAT +ATOM 9046 H2 TIP3 912 42.097 -27.606 -40.876 1.00 0.00 WAT +ATOM 9047 OH2 TIP3 913 41.318 -38.674 -38.147 1.00 0.00 WAT +ATOM 9048 H1 TIP3 913 41.957 -37.973 -37.876 1.00 0.00 WAT +ATOM 9049 H2 TIP3 913 40.974 -38.879 -37.256 1.00 0.00 WAT +ATOM 9050 OH2 TIP3 914 41.467 -37.634 -28.794 1.00 0.00 WAT +ATOM 9051 H1 TIP3 914 41.835 -37.015 -28.152 1.00 0.00 WAT +ATOM 9052 H2 TIP3 914 42.206 -38.260 -28.946 1.00 0.00 WAT +ATOM 9053 OH2 TIP3 915 41.978 -41.705 -36.894 1.00 0.00 WAT +ATOM 9054 H1 TIP3 915 41.710 -40.848 -36.496 1.00 0.00 WAT +ATOM 9055 H2 TIP3 915 42.705 -41.453 -37.491 1.00 0.00 WAT +ATOM 9056 OH2 TIP3 916 38.961 -27.099 -40.216 1.00 0.00 WAT +ATOM 9057 H1 TIP3 916 38.982 -26.234 -40.672 1.00 0.00 WAT +ATOM 9058 H2 TIP3 916 38.693 -26.840 -39.311 1.00 0.00 WAT +ATOM 9059 OH2 TIP3 917 37.669 -40.441 -40.727 1.00 0.00 WAT +ATOM 9060 H1 TIP3 917 37.620 -39.650 -40.165 1.00 0.00 WAT +ATOM 9061 H2 TIP3 917 38.528 -40.808 -40.454 1.00 0.00 WAT +ATOM 9062 OH2 TIP3 918 36.043 -29.497 -41.614 1.00 0.00 WAT +ATOM 9063 H1 TIP3 918 36.782 -29.163 -41.083 1.00 0.00 WAT +ATOM 9064 H2 TIP3 918 36.504 -30.035 -42.271 1.00 0.00 WAT +ATOM 9065 OH2 TIP3 919 34.311 -37.338 -42.555 1.00 0.00 WAT +ATOM 9066 H1 TIP3 919 34.448 -36.383 -42.392 1.00 0.00 WAT +ATOM 9067 H2 TIP3 919 33.396 -37.348 -42.881 1.00 0.00 WAT +ATOM 9068 OH2 TIP3 920 34.352 -42.443 -33.552 1.00 0.00 WAT +ATOM 9069 H1 TIP3 920 34.784 -42.455 -34.416 1.00 0.00 WAT +ATOM 9070 H2 TIP3 920 34.553 -43.341 -33.254 1.00 0.00 WAT +ATOM 9071 OH2 TIP3 921 33.425 -25.951 -26.252 1.00 0.00 WAT +ATOM 9072 H1 TIP3 921 34.026 -26.248 -25.541 1.00 0.00 WAT +ATOM 9073 H2 TIP3 921 33.054 -26.808 -26.549 1.00 0.00 WAT +ATOM 9074 OH2 TIP3 922 38.127 -26.914 -24.509 1.00 0.00 WAT +ATOM 9075 H1 TIP3 922 38.812 -27.564 -24.288 1.00 0.00 WAT +ATOM 9076 H2 TIP3 922 37.898 -27.187 -25.414 1.00 0.00 WAT +ATOM 9077 OH2 TIP3 923 42.316 -27.571 -43.178 1.00 0.00 WAT +ATOM 9078 H1 TIP3 923 41.516 -28.127 -43.246 1.00 0.00 WAT +ATOM 9079 H2 TIP3 923 42.974 -28.154 -43.581 1.00 0.00 WAT +ATOM 9080 OH2 TIP3 924 33.407 -32.360 -25.164 1.00 0.00 WAT +ATOM 9081 H1 TIP3 924 33.500 -33.255 -25.526 1.00 0.00 WAT +ATOM 9082 H2 TIP3 924 32.642 -32.037 -25.678 1.00 0.00 WAT +ATOM 9083 OH2 TIP3 925 37.644 -32.006 -43.174 1.00 0.00 WAT +ATOM 9084 H1 TIP3 925 37.916 -32.421 -42.341 1.00 0.00 WAT +ATOM 9085 H2 TIP3 925 38.477 -31.897 -43.659 1.00 0.00 WAT +ATOM 9086 OH2 TIP3 926 40.081 -32.143 -25.844 1.00 0.00 WAT +ATOM 9087 H1 TIP3 926 39.779 -31.807 -26.707 1.00 0.00 WAT +ATOM 9088 H2 TIP3 926 40.143 -33.109 -25.993 1.00 0.00 WAT +ATOM 9089 OH2 TIP3 927 42.719 -30.811 -43.520 1.00 0.00 WAT +ATOM 9090 H1 TIP3 927 43.220 -30.444 -42.760 1.00 0.00 WAT +ATOM 9091 H2 TIP3 927 43.330 -31.490 -43.832 1.00 0.00 WAT +ATOM 9092 OH2 TIP3 928 34.266 -35.248 -25.994 1.00 0.00 WAT +ATOM 9093 H1 TIP3 928 35.029 -35.849 -25.976 1.00 0.00 WAT +ATOM 9094 H2 TIP3 928 34.222 -34.985 -25.061 1.00 0.00 WAT +ATOM 9095 OH2 TIP3 929 38.653 -33.835 -40.945 1.00 0.00 WAT +ATOM 9096 H1 TIP3 929 38.060 -34.270 -40.311 1.00 0.00 WAT +ATOM 9097 H2 TIP3 929 39.009 -34.597 -41.432 1.00 0.00 WAT +ATOM 9098 OH2 TIP3 930 37.962 -36.044 -28.522 1.00 0.00 WAT +ATOM 9099 H1 TIP3 930 37.384 -35.271 -28.375 1.00 0.00 WAT +ATOM 9100 H2 TIP3 930 38.523 -35.732 -29.249 1.00 0.00 WAT +ATOM 9101 OH2 TIP3 931 39.985 -35.915 -42.687 1.00 0.00 WAT +ATOM 9102 H1 TIP3 931 39.810 -35.817 -43.633 1.00 0.00 WAT +ATOM 9103 H2 TIP3 931 40.902 -35.610 -42.588 1.00 0.00 WAT +ATOM 9104 OH2 TIP3 932 42.828 -33.592 -24.841 1.00 0.00 WAT +ATOM 9105 H1 TIP3 932 43.525 -33.886 -25.435 1.00 0.00 WAT +ATOM 9106 H2 TIP3 932 42.668 -34.408 -24.337 1.00 0.00 WAT +ATOM 9107 OH2 TIP3 933 38.517 -38.788 -27.424 1.00 0.00 WAT +ATOM 9108 H1 TIP3 933 38.640 -39.416 -28.153 1.00 0.00 WAT +ATOM 9109 H2 TIP3 933 38.395 -37.953 -27.910 1.00 0.00 WAT +ATOM 9110 OH2 TIP3 934 38.903 -40.413 -30.031 1.00 0.00 WAT +ATOM 9111 H1 TIP3 934 39.430 -39.807 -30.604 1.00 0.00 WAT +ATOM 9112 H2 TIP3 934 37.996 -40.263 -30.361 1.00 0.00 WAT +ATOM 9113 OH2 TIP3 935 40.679 -34.931 -29.672 1.00 0.00 WAT +ATOM 9114 H1 TIP3 935 41.359 -34.907 -30.356 1.00 0.00 WAT +ATOM 9115 H2 TIP3 935 40.284 -34.049 -29.784 1.00 0.00 WAT +ATOM 9116 OH2 TIP3 936 36.748 -36.985 -25.581 1.00 0.00 WAT +ATOM 9117 H1 TIP3 936 36.225 -37.803 -25.633 1.00 0.00 WAT +ATOM 9118 H2 TIP3 936 37.540 -37.231 -26.086 1.00 0.00 WAT +ATOM 9119 OH2 TIP3 937 39.478 -42.796 -28.864 1.00 0.00 WAT +ATOM 9120 H1 TIP3 937 39.427 -41.870 -29.203 1.00 0.00 WAT +ATOM 9121 H2 TIP3 937 38.637 -43.136 -29.198 1.00 0.00 WAT +ATOM 9122 OH2 TIP3 938 41.058 -38.565 -25.878 1.00 0.00 WAT +ATOM 9123 H1 TIP3 938 40.696 -38.869 -25.032 1.00 0.00 WAT +ATOM 9124 H2 TIP3 938 40.303 -38.745 -26.468 1.00 0.00 WAT +ATOM 9125 OH2 TIP3 939 35.523 -39.594 -25.751 1.00 0.00 WAT +ATOM 9126 H1 TIP3 939 35.258 -40.195 -26.468 1.00 0.00 WAT +ATOM 9127 H2 TIP3 939 35.064 -39.972 -24.987 1.00 0.00 WAT +ATOM 9128 OH2 TIP3 940 40.536 -41.466 -24.706 1.00 0.00 WAT +ATOM 9129 H1 TIP3 940 40.271 -42.283 -25.167 1.00 0.00 WAT +ATOM 9130 H2 TIP3 940 39.711 -40.953 -24.680 1.00 0.00 WAT +ATOM 9131 OH2 TIP3 941 39.598 -24.617 -41.721 1.00 0.00 WAT +ATOM 9132 H1 TIP3 941 40.545 -24.454 -41.628 1.00 0.00 WAT +ATOM 9133 H2 TIP3 941 39.327 -23.991 -42.410 1.00 0.00 WAT +ATOM 9134 OH2 TIP3 942 33.323 -30.529 -42.010 1.00 0.00 WAT +ATOM 9135 H1 TIP3 942 34.210 -30.130 -41.933 1.00 0.00 WAT +ATOM 9136 H2 TIP3 942 33.399 -31.056 -42.814 1.00 0.00 WAT +ATOM 9137 OH2 TIP3 943 32.359 -24.978 -37.201 1.00 0.00 WAT +ATOM 9138 H1 TIP3 943 31.653 -25.350 -37.764 1.00 0.00 WAT +ATOM 9139 H2 TIP3 943 32.424 -25.674 -36.511 1.00 0.00 WAT +ATOM 9140 OH2 TIP3 944 32.394 -26.763 -35.051 1.00 0.00 WAT +ATOM 9141 H1 TIP3 944 32.545 -27.696 -35.275 1.00 0.00 WAT +ATOM 9142 H2 TIP3 944 33.025 -26.648 -34.328 1.00 0.00 WAT +ATOM 9143 OH2 TIP3 945 32.795 -33.677 -32.795 1.00 0.00 WAT +ATOM 9144 H1 TIP3 945 33.040 -33.549 -33.726 1.00 0.00 WAT +ATOM 9145 H2 TIP3 945 33.678 -33.849 -32.407 1.00 0.00 WAT +ATOM 9146 OH2 TIP3 946 32.666 -38.363 -26.245 1.00 0.00 WAT +ATOM 9147 H1 TIP3 946 33.583 -38.580 -26.464 1.00 0.00 WAT +ATOM 9148 H2 TIP3 946 32.228 -39.225 -26.318 1.00 0.00 WAT +ATOM 9149 OH2 TIP3 947 33.415 -39.908 -33.606 1.00 0.00 WAT +ATOM 9150 H1 TIP3 947 33.729 -40.833 -33.497 1.00 0.00 WAT +ATOM 9151 H2 TIP3 947 34.162 -39.406 -33.229 1.00 0.00 WAT +ATOM 9152 OH2 TIP3 948 32.025 -37.282 -32.571 1.00 0.00 WAT +ATOM 9153 H1 TIP3 948 32.618 -37.307 -33.338 1.00 0.00 WAT +ATOM 9154 H2 TIP3 948 32.386 -36.528 -32.086 1.00 0.00 WAT +ATOM 9155 OH2 TIP3 949 32.575 -41.026 -38.543 1.00 0.00 WAT +ATOM 9156 H1 TIP3 949 31.619 -40.948 -38.705 1.00 0.00 WAT +ATOM 9157 H2 TIP3 949 32.949 -40.333 -39.125 1.00 0.00 WAT +ATOM 9158 OH2 TIP3 950 32.322 -41.265 -29.978 1.00 0.00 WAT +ATOM 9159 H1 TIP3 950 32.351 -42.210 -29.729 1.00 0.00 WAT +ATOM 9160 H2 TIP3 950 32.121 -41.325 -30.922 1.00 0.00 WAT +ATOM 9161 OH2 TIP3 951 34.559 -28.945 -25.658 1.00 0.00 WAT +ATOM 9162 H1 TIP3 951 33.842 -28.998 -26.307 1.00 0.00 WAT +ATOM 9163 H2 TIP3 951 34.086 -29.013 -24.818 1.00 0.00 WAT +ATOM 9164 OH2 TIP3 952 37.400 -27.950 -29.958 1.00 0.00 WAT +ATOM 9165 H1 TIP3 952 37.102 -27.119 -30.367 1.00 0.00 WAT +ATOM 9166 H2 TIP3 952 38.356 -27.889 -30.152 1.00 0.00 WAT +ATOM 9167 OH2 TIP3 953 42.197 -26.355 -27.098 1.00 0.00 WAT +ATOM 9168 H1 TIP3 953 42.048 -26.714 -26.209 1.00 0.00 WAT +ATOM 9169 H2 TIP3 953 43.144 -26.134 -27.035 1.00 0.00 WAT +ATOM 9170 OH2 TIP3 954 34.784 -25.013 -29.648 1.00 0.00 WAT +ATOM 9171 H1 TIP3 954 34.225 -24.381 -30.125 1.00 0.00 WAT +ATOM 9172 H2 TIP3 954 34.408 -24.976 -28.762 1.00 0.00 WAT +ATOM 9173 OH2 TIP3 955 37.320 -25.233 -31.059 1.00 0.00 WAT +ATOM 9174 H1 TIP3 955 36.449 -25.061 -30.656 1.00 0.00 WAT +ATOM 9175 H2 TIP3 955 37.348 -24.580 -31.781 1.00 0.00 WAT +ATOM 9176 OH2 TIP3 956 41.970 -25.481 -31.541 1.00 0.00 WAT +ATOM 9177 H1 TIP3 956 41.782 -25.003 -32.364 1.00 0.00 WAT +ATOM 9178 H2 TIP3 956 42.580 -24.887 -31.092 1.00 0.00 WAT +ATOM 9179 OH2 TIP3 957 34.295 -26.237 -32.696 1.00 0.00 WAT +ATOM 9180 H1 TIP3 957 34.362 -26.757 -31.867 1.00 0.00 WAT +ATOM 9181 H2 TIP3 957 35.074 -26.606 -33.184 1.00 0.00 WAT +ATOM 9182 OH2 TIP3 958 36.397 -27.185 -34.091 1.00 0.00 WAT +ATOM 9183 H1 TIP3 958 36.161 -28.042 -34.497 1.00 0.00 WAT +ATOM 9184 H2 TIP3 958 37.357 -27.256 -33.962 1.00 0.00 WAT +ATOM 9185 OH2 TIP3 959 39.209 -26.985 -33.403 1.00 0.00 WAT +ATOM 9186 H1 TIP3 959 39.347 -27.924 -33.616 1.00 0.00 WAT +ATOM 9187 H2 TIP3 959 39.198 -27.021 -32.434 1.00 0.00 WAT +ATOM 9188 OH2 TIP3 960 42.587 -41.434 -34.011 1.00 0.00 WAT +ATOM 9189 H1 TIP3 960 41.792 -41.983 -33.886 1.00 0.00 WAT +ATOM 9190 H2 TIP3 960 42.917 -41.762 -34.851 1.00 0.00 WAT +ATOM 9191 OH2 TIP3 961 34.787 -42.835 -36.782 1.00 0.00 WAT +ATOM 9192 H1 TIP3 961 33.863 -42.982 -37.012 1.00 0.00 WAT +ATOM 9193 H2 TIP3 961 35.049 -43.689 -36.426 1.00 0.00 WAT +ATOM 9194 OH2 TIP3 962 33.400 -42.821 -40.684 1.00 0.00 WAT +ATOM 9195 H1 TIP3 962 33.914 -42.301 -41.336 1.00 0.00 WAT +ATOM 9196 H2 TIP3 962 33.048 -42.119 -40.112 1.00 0.00 WAT +ATOM 9197 OH2 TIP3 963 39.339 -42.568 -36.750 1.00 0.00 WAT +ATOM 9198 H1 TIP3 963 40.256 -42.234 -36.678 1.00 0.00 WAT +ATOM 9199 H2 TIP3 963 39.183 -42.887 -35.855 1.00 0.00 WAT +ATOM 9200 OH2 TIP3 964 33.786 -26.898 -39.972 1.00 0.00 WAT +ATOM 9201 H1 TIP3 964 32.886 -26.951 -40.322 1.00 0.00 WAT +ATOM 9202 H2 TIP3 964 33.669 -26.355 -39.186 1.00 0.00 WAT +ATOM 9203 OH2 TIP3 965 35.280 -41.248 -42.240 1.00 0.00 WAT +ATOM 9204 H1 TIP3 965 35.919 -41.634 -42.857 1.00 0.00 WAT +ATOM 9205 H2 TIP3 965 35.858 -40.623 -41.767 1.00 0.00 WAT +ATOM 9206 OH2 TIP3 966 40.507 -40.654 -39.850 1.00 0.00 WAT +ATOM 9207 H1 TIP3 966 40.651 -41.468 -39.338 1.00 0.00 WAT +ATOM 9208 H2 TIP3 966 40.652 -39.946 -39.185 1.00 0.00 WAT +ATOM 9209 OH2 TIP3 967 42.699 -25.442 -41.435 1.00 0.00 WAT +ATOM 9210 H1 TIP3 967 43.554 -25.040 -41.665 1.00 0.00 WAT +ATOM 9211 H2 TIP3 967 42.518 -26.003 -42.220 1.00 0.00 WAT +ATOM 9212 OH2 TIP3 968 34.399 -41.783 -27.294 1.00 0.00 WAT +ATOM 9213 H1 TIP3 968 33.964 -42.595 -27.012 1.00 0.00 WAT +ATOM 9214 H2 TIP3 968 35.288 -42.134 -27.453 1.00 0.00 WAT +ATOM 9215 OH2 TIP3 969 37.320 -42.790 -24.673 1.00 0.00 WAT +ATOM 9216 H1 TIP3 969 38.199 -43.032 -25.041 1.00 0.00 WAT +ATOM 9217 H2 TIP3 969 37.091 -43.591 -24.188 1.00 0.00 WAT +ATOM 9218 OH2 TIP3 970 35.726 -25.844 -42.282 1.00 0.00 WAT +ATOM 9219 H1 TIP3 970 35.198 -25.706 -41.480 1.00 0.00 WAT +ATOM 9220 H2 TIP3 970 36.274 -26.595 -42.039 1.00 0.00 WAT +ATOM 9221 OH2 TIP3 971 -31.616 -14.832 -36.305 1.00 0.00 WAT +ATOM 9222 H1 TIP3 971 -31.608 -13.871 -36.163 1.00 0.00 WAT +ATOM 9223 H2 TIP3 971 -32.399 -14.930 -36.865 1.00 0.00 WAT +ATOM 9224 OH2 TIP3 972 -32.647 -15.361 -33.177 1.00 0.00 WAT +ATOM 9225 H1 TIP3 972 -32.723 -15.937 -32.401 1.00 0.00 WAT +ATOM 9226 H2 TIP3 972 -32.976 -15.936 -33.883 1.00 0.00 WAT +ATOM 9227 OH2 TIP3 973 -40.243 -15.783 -31.583 1.00 0.00 WAT +ATOM 9228 H1 TIP3 973 -40.329 -16.509 -30.939 1.00 0.00 WAT +ATOM 9229 H2 TIP3 973 -39.636 -15.193 -31.115 1.00 0.00 WAT +ATOM 9230 OH2 TIP3 974 -29.051 -12.539 -34.799 1.00 0.00 WAT +ATOM 9231 H1 TIP3 974 -29.385 -13.261 -34.254 1.00 0.00 WAT +ATOM 9232 H2 TIP3 974 -28.789 -11.899 -34.124 1.00 0.00 WAT +ATOM 9233 OH2 TIP3 975 -39.559 -11.143 -33.043 1.00 0.00 WAT +ATOM 9234 H1 TIP3 975 -39.840 -12.057 -33.217 1.00 0.00 WAT +ATOM 9235 H2 TIP3 975 -38.682 -11.284 -32.652 1.00 0.00 WAT +ATOM 9236 OH2 TIP3 976 -42.024 -18.138 -38.453 1.00 0.00 WAT +ATOM 9237 H1 TIP3 976 -42.087 -17.293 -37.992 1.00 0.00 WAT +ATOM 9238 H2 TIP3 976 -42.903 -18.501 -38.262 1.00 0.00 WAT +ATOM 9239 OH2 TIP3 977 -41.983 -15.536 -36.147 1.00 0.00 WAT +ATOM 9240 H1 TIP3 977 -41.897 -16.000 -35.297 1.00 0.00 WAT +ATOM 9241 H2 TIP3 977 -41.220 -14.943 -36.128 1.00 0.00 WAT +ATOM 9242 OH2 TIP3 978 -32.017 -7.271 -34.348 1.00 0.00 WAT +ATOM 9243 H1 TIP3 978 -31.425 -7.998 -34.616 1.00 0.00 WAT +ATOM 9244 H2 TIP3 978 -32.309 -7.548 -33.470 1.00 0.00 WAT +ATOM 9245 OH2 TIP3 979 -34.208 -12.859 -32.645 1.00 0.00 WAT +ATOM 9246 H1 TIP3 979 -33.862 -13.572 -33.207 1.00 0.00 WAT +ATOM 9247 H2 TIP3 979 -33.424 -12.669 -32.111 1.00 0.00 WAT +ATOM 9248 OH2 TIP3 980 -25.627 -21.310 -32.008 1.00 0.00 WAT +ATOM 9249 H1 TIP3 980 -25.351 -20.734 -31.274 1.00 0.00 WAT +ATOM 9250 H2 TIP3 980 -24.978 -21.055 -32.690 1.00 0.00 WAT +ATOM 9251 OH2 TIP3 981 -30.997 -18.525 -32.136 1.00 0.00 WAT +ATOM 9252 H1 TIP3 981 -30.821 -19.477 -32.064 1.00 0.00 WAT +ATOM 9253 H2 TIP3 981 -31.043 -18.408 -33.097 1.00 0.00 WAT +ATOM 9254 OH2 TIP3 982 -37.927 -20.507 -35.067 1.00 0.00 WAT +ATOM 9255 H1 TIP3 982 -37.868 -19.634 -35.501 1.00 0.00 WAT +ATOM 9256 H2 TIP3 982 -38.375 -21.017 -35.771 1.00 0.00 WAT +ATOM 9257 OH2 TIP3 983 -30.141 -20.435 -36.782 1.00 0.00 WAT +ATOM 9258 H1 TIP3 983 -29.559 -20.768 -36.059 1.00 0.00 WAT +ATOM 9259 H2 TIP3 983 -29.495 -19.936 -37.304 1.00 0.00 WAT +ATOM 9260 OH2 TIP3 984 -41.370 -17.786 -34.507 1.00 0.00 WAT +ATOM 9261 H1 TIP3 984 -40.801 -18.199 -33.838 1.00 0.00 WAT +ATOM 9262 H2 TIP3 984 -41.212 -18.362 -35.273 1.00 0.00 WAT +ATOM 9263 OH2 TIP3 985 -35.874 -16.402 -35.126 1.00 0.00 WAT +ATOM 9264 H1 TIP3 985 -35.210 -16.970 -34.689 1.00 0.00 WAT +ATOM 9265 H2 TIP3 985 -36.439 -17.064 -35.564 1.00 0.00 WAT +ATOM 9266 OH2 TIP3 986 -24.863 -19.964 -29.517 1.00 0.00 WAT +ATOM 9267 H1 TIP3 986 -25.479 -19.255 -29.775 1.00 0.00 WAT +ATOM 9268 H2 TIP3 986 -25.073 -20.046 -28.575 1.00 0.00 WAT +ATOM 9269 OH2 TIP3 987 -39.184 -21.694 -30.881 1.00 0.00 WAT +ATOM 9270 H1 TIP3 987 -39.636 -21.225 -31.598 1.00 0.00 WAT +ATOM 9271 H2 TIP3 987 -39.810 -21.539 -30.144 1.00 0.00 WAT +ATOM 9272 OH2 TIP3 988 -31.691 -11.968 -37.503 1.00 0.00 WAT +ATOM 9273 H1 TIP3 988 -32.035 -12.171 -38.377 1.00 0.00 WAT +ATOM 9274 H2 TIP3 988 -32.128 -11.120 -37.302 1.00 0.00 WAT +ATOM 9275 OH2 TIP3 989 -36.292 -13.854 -30.806 1.00 0.00 WAT +ATOM 9276 H1 TIP3 989 -37.019 -13.273 -30.489 1.00 0.00 WAT +ATOM 9277 H2 TIP3 989 -35.687 -13.204 -31.201 1.00 0.00 WAT +ATOM 9278 OH2 TIP3 990 -28.369 -21.076 -34.691 1.00 0.00 WAT +ATOM 9279 H1 TIP3 990 -28.684 -21.696 -34.021 1.00 0.00 WAT +ATOM 9280 H2 TIP3 990 -27.780 -20.513 -34.166 1.00 0.00 WAT +ATOM 9281 OH2 TIP3 991 -39.568 -19.665 -32.965 1.00 0.00 WAT +ATOM 9282 H1 TIP3 991 -38.949 -19.078 -32.486 1.00 0.00 WAT +ATOM 9283 H2 TIP3 991 -38.974 -20.032 -33.653 1.00 0.00 WAT +ATOM 9284 OH2 TIP3 992 -38.333 -11.930 -30.116 1.00 0.00 WAT +ATOM 9285 H1 TIP3 992 -38.203 -10.960 -30.163 1.00 0.00 WAT +ATOM 9286 H2 TIP3 992 -38.857 -11.964 -29.306 1.00 0.00 WAT +ATOM 9287 OH2 TIP3 993 -41.883 -12.383 -39.146 1.00 0.00 WAT +ATOM 9288 H1 TIP3 993 -42.529 -12.130 -39.835 1.00 0.00 WAT +ATOM 9289 H2 TIP3 993 -42.045 -11.723 -38.458 1.00 0.00 WAT +ATOM 9290 OH2 TIP3 994 -28.485 -10.867 -32.056 1.00 0.00 WAT +ATOM 9291 H1 TIP3 994 -29.430 -10.676 -32.217 1.00 0.00 WAT +ATOM 9292 H2 TIP3 994 -28.081 -10.036 -32.360 1.00 0.00 WAT +ATOM 9293 OH2 TIP3 995 -28.198 -21.963 -30.867 1.00 0.00 WAT +ATOM 9294 H1 TIP3 995 -28.957 -21.539 -31.305 1.00 0.00 WAT +ATOM 9295 H2 TIP3 995 -27.462 -21.756 -31.474 1.00 0.00 WAT +ATOM 9296 OH2 TIP3 996 -35.650 -24.623 -34.402 1.00 0.00 WAT +ATOM 9297 H1 TIP3 996 -34.756 -24.267 -34.340 1.00 0.00 WAT +ATOM 9298 H2 TIP3 996 -36.154 -24.040 -33.833 1.00 0.00 WAT +ATOM 9299 OH2 TIP3 997 -30.197 -8.891 -35.812 1.00 0.00 WAT +ATOM 9300 H1 TIP3 997 -29.703 -9.664 -36.144 1.00 0.00 WAT +ATOM 9301 H2 TIP3 997 -29.533 -8.182 -35.920 1.00 0.00 WAT +ATOM 9302 OH2 TIP3 998 -28.736 -11.026 -37.210 1.00 0.00 WAT +ATOM 9303 H1 TIP3 998 -29.295 -11.487 -37.849 1.00 0.00 WAT +ATOM 9304 H2 TIP3 998 -28.789 -11.623 -36.440 1.00 0.00 WAT +ATOM 9305 OH2 TIP3 999 -32.912 -15.354 -39.044 1.00 0.00 WAT +ATOM 9306 H1 TIP3 999 -33.578 -14.701 -39.339 1.00 0.00 WAT +ATOM 9307 H2 TIP3 999 -32.195 -15.206 -39.679 1.00 0.00 WAT +ATOM 9308 OH2 TIP3 1000 -32.725 -17.078 -42.063 1.00 0.00 WAT +ATOM 9309 H1 TIP3 1000 -32.057 -16.735 -41.444 1.00 0.00 WAT +ATOM 9310 H2 TIP3 1000 -32.172 -17.687 -42.599 1.00 0.00 WAT +ATOM 9311 OH2 TIP3 1001 -25.587 -15.954 -30.790 1.00 0.00 WAT +ATOM 9312 H1 TIP3 1001 -26.234 -15.237 -30.658 1.00 0.00 WAT +ATOM 9313 H2 TIP3 1001 -25.083 -15.626 -31.560 1.00 0.00 WAT +ATOM 9314 OH2 TIP3 1002 -29.448 -15.324 -37.947 1.00 0.00 WAT +ATOM 9315 H1 TIP3 1002 -30.128 -15.093 -37.273 1.00 0.00 WAT +ATOM 9316 H2 TIP3 1002 -28.826 -15.850 -37.409 1.00 0.00 WAT +ATOM 9317 OH2 TIP3 1003 -29.573 -16.794 -29.080 1.00 0.00 WAT +ATOM 9318 H1 TIP3 1003 -29.680 -16.152 -28.359 1.00 0.00 WAT +ATOM 9319 H2 TIP3 1003 -30.244 -16.472 -29.713 1.00 0.00 WAT +ATOM 9320 OH2 TIP3 1004 -37.785 -14.493 -36.182 1.00 0.00 WAT +ATOM 9321 H1 TIP3 1004 -38.148 -14.927 -36.976 1.00 0.00 WAT +ATOM 9322 H2 TIP3 1004 -37.176 -15.168 -35.837 1.00 0.00 WAT +ATOM 9323 OH2 TIP3 1005 -36.426 -11.091 -33.455 1.00 0.00 WAT +ATOM 9324 H1 TIP3 1005 -36.569 -11.532 -34.302 1.00 0.00 WAT +ATOM 9325 H2 TIP3 1005 -35.658 -11.571 -33.096 1.00 0.00 WAT +ATOM 9326 OH2 TIP3 1006 -37.265 -15.728 -32.730 1.00 0.00 WAT +ATOM 9327 H1 TIP3 1006 -36.659 -15.641 -33.488 1.00 0.00 WAT +ATOM 9328 H2 TIP3 1006 -36.943 -15.045 -32.113 1.00 0.00 WAT +ATOM 9329 OH2 TIP3 1007 -31.194 -10.242 -32.098 1.00 0.00 WAT +ATOM 9330 H1 TIP3 1007 -31.377 -9.487 -31.515 1.00 0.00 WAT +ATOM 9331 H2 TIP3 1007 -31.545 -11.010 -31.618 1.00 0.00 WAT +ATOM 9332 OH2 TIP3 1008 -30.349 -15.844 -40.577 1.00 0.00 WAT +ATOM 9333 H1 TIP3 1008 -29.943 -15.573 -39.726 1.00 0.00 WAT +ATOM 9334 H2 TIP3 1008 -29.748 -15.407 -41.213 1.00 0.00 WAT +ATOM 9335 OH2 TIP3 1009 -39.562 -15.062 -28.696 1.00 0.00 WAT +ATOM 9336 H1 TIP3 1009 -39.469 -14.483 -27.909 1.00 0.00 WAT +ATOM 9337 H2 TIP3 1009 -40.536 -15.085 -28.768 1.00 0.00 WAT +ATOM 9338 OH2 TIP3 1010 -33.016 -9.235 -36.960 1.00 0.00 WAT +ATOM 9339 H1 TIP3 1010 -32.553 -8.963 -36.158 1.00 0.00 WAT +ATOM 9340 H2 TIP3 1010 -33.511 -8.436 -37.196 1.00 0.00 WAT +ATOM 9341 OH2 TIP3 1011 -26.961 -24.124 -40.766 1.00 0.00 WAT +ATOM 9342 H1 TIP3 1011 -27.836 -23.925 -40.396 1.00 0.00 WAT +ATOM 9343 H2 TIP3 1011 -26.664 -23.255 -41.070 1.00 0.00 WAT +ATOM 9344 OH2 TIP3 1012 -38.870 -15.797 -38.699 1.00 0.00 WAT +ATOM 9345 H1 TIP3 1012 -39.164 -14.993 -39.169 1.00 0.00 WAT +ATOM 9346 H2 TIP3 1012 -39.607 -16.397 -38.872 1.00 0.00 WAT +ATOM 9347 OH2 TIP3 1013 -25.898 -9.853 -42.505 1.00 0.00 WAT +ATOM 9348 H1 TIP3 1013 -25.586 -9.048 -42.061 1.00 0.00 WAT +ATOM 9349 H2 TIP3 1013 -25.148 -10.465 -42.412 1.00 0.00 WAT +ATOM 9350 OH2 TIP3 1014 -42.754 -12.975 -30.213 1.00 0.00 WAT +ATOM 9351 H1 TIP3 1014 -42.928 -13.405 -31.066 1.00 0.00 WAT +ATOM 9352 H2 TIP3 1014 -43.133 -13.614 -29.587 1.00 0.00 WAT +ATOM 9353 OH2 TIP3 1015 -42.751 -10.083 -33.162 1.00 0.00 WAT +ATOM 9354 H1 TIP3 1015 -41.975 -10.596 -32.908 1.00 0.00 WAT +ATOM 9355 H2 TIP3 1015 -43.066 -9.731 -32.322 1.00 0.00 WAT +ATOM 9356 OH2 TIP3 1016 -24.438 -9.569 -27.215 1.00 0.00 WAT +ATOM 9357 H1 TIP3 1016 -24.547 -10.529 -27.317 1.00 0.00 WAT +ATOM 9358 H2 TIP3 1016 -25.316 -9.301 -26.864 1.00 0.00 WAT +ATOM 9359 OH2 TIP3 1017 -33.853 -10.429 -28.374 1.00 0.00 WAT +ATOM 9360 H1 TIP3 1017 -33.622 -9.605 -27.902 1.00 0.00 WAT +ATOM 9361 H2 TIP3 1017 -34.756 -10.576 -28.055 1.00 0.00 WAT +ATOM 9362 OH2 TIP3 1018 -33.460 -6.537 -38.475 1.00 0.00 WAT +ATOM 9363 H1 TIP3 1018 -33.467 -6.408 -39.439 1.00 0.00 WAT +ATOM 9364 H2 TIP3 1018 -33.432 -5.628 -38.134 1.00 0.00 WAT +ATOM 9365 OH2 TIP3 1019 -39.777 -7.392 -36.766 1.00 0.00 WAT +ATOM 9366 H1 TIP3 1019 -39.535 -7.821 -35.920 1.00 0.00 WAT +ATOM 9367 H2 TIP3 1019 -40.540 -7.951 -37.004 1.00 0.00 WAT +ATOM 9368 OH2 TIP3 1020 -30.236 -6.926 -41.388 1.00 0.00 WAT +ATOM 9369 H1 TIP3 1020 -29.785 -7.512 -42.031 1.00 0.00 WAT +ATOM 9370 H2 TIP3 1020 -30.200 -7.457 -40.576 1.00 0.00 WAT +ATOM 9371 OH2 TIP3 1021 -30.751 -7.654 -38.626 1.00 0.00 WAT +ATOM 9372 H1 TIP3 1021 -31.683 -7.480 -38.409 1.00 0.00 WAT +ATOM 9373 H2 TIP3 1021 -30.531 -8.320 -37.956 1.00 0.00 WAT +ATOM 9374 OH2 TIP3 1022 -27.618 -18.156 -26.806 1.00 0.00 WAT +ATOM 9375 H1 TIP3 1022 -28.156 -17.834 -27.539 1.00 0.00 WAT +ATOM 9376 H2 TIP3 1022 -27.610 -19.119 -26.973 1.00 0.00 WAT +ATOM 9377 OH2 TIP3 1023 -41.150 -11.452 -28.344 1.00 0.00 WAT +ATOM 9378 H1 TIP3 1023 -40.402 -11.856 -27.881 1.00 0.00 WAT +ATOM 9379 H2 TIP3 1023 -41.499 -12.140 -28.937 1.00 0.00 WAT +ATOM 9380 OH2 TIP3 1024 -37.455 -23.003 -32.874 1.00 0.00 WAT +ATOM 9381 H1 TIP3 1024 -38.276 -23.172 -33.377 1.00 0.00 WAT +ATOM 9382 H2 TIP3 1024 -37.777 -22.341 -32.243 1.00 0.00 WAT +ATOM 9383 OH2 TIP3 1025 -33.354 -23.821 -28.855 1.00 0.00 WAT +ATOM 9384 H1 TIP3 1025 -32.686 -24.281 -28.707 1.00 0.00 WAT +ATOM 9385 H2 TIP3 1025 -33.194 -22.962 -28.173 1.00 0.00 WAT +ATOM 9386 OH2 TIP3 1026 -30.005 -19.727 -28.764 1.00 0.00 WAT +ATOM 9387 H1 TIP3 1026 -30.533 -19.899 -27.961 1.00 0.00 WAT +ATOM 9388 H2 TIP3 1026 -30.018 -18.758 -28.835 1.00 0.00 WAT +ATOM 9389 OH2 TIP3 1027 -28.140 -15.043 -42.519 1.00 0.00 WAT +ATOM 9390 H1 TIP3 1027 -28.605 -15.173 -43.360 1.00 0.00 WAT +ATOM 9391 H2 TIP3 1027 -27.826 -14.138 -42.650 1.00 0.00 WAT +ATOM 9392 OH2 TIP3 1028 -33.343 -21.228 -41.909 1.00 0.00 WAT +ATOM 9393 H1 TIP3 1028 -33.925 -21.034 -41.171 1.00 0.00 WAT +ATOM 9394 H2 TIP3 1028 -33.883 -21.825 -42.446 1.00 0.00 WAT +ATOM 9395 OH2 TIP3 1029 -37.604 -18.297 -31.468 1.00 0.00 WAT +ATOM 9396 H1 TIP3 1029 -38.213 -18.195 -30.715 1.00 0.00 WAT +ATOM 9397 H2 TIP3 1029 -37.573 -17.387 -31.834 1.00 0.00 WAT +ATOM 9398 OH2 TIP3 1030 -37.689 -18.209 -36.609 1.00 0.00 WAT +ATOM 9399 H1 TIP3 1030 -38.654 -18.293 -36.733 1.00 0.00 WAT +ATOM 9400 H2 TIP3 1030 -37.377 -18.375 -37.515 1.00 0.00 WAT +ATOM 9401 OH2 TIP3 1031 -32.209 -17.821 -37.969 1.00 0.00 WAT +ATOM 9402 H1 TIP3 1031 -32.530 -16.923 -38.206 1.00 0.00 WAT +ATOM 9403 H2 TIP3 1031 -31.442 -17.901 -38.560 1.00 0.00 WAT +ATOM 9404 OH2 TIP3 1032 -32.793 -17.511 -26.493 1.00 0.00 WAT +ATOM 9405 H1 TIP3 1032 -33.358 -18.203 -26.095 1.00 0.00 WAT +ATOM 9406 H2 TIP3 1032 -31.953 -17.646 -26.010 1.00 0.00 WAT +ATOM 9407 OH2 TIP3 1033 -31.222 -18.265 -35.071 1.00 0.00 WAT +ATOM 9408 H1 TIP3 1033 -31.526 -17.675 -35.785 1.00 0.00 WAT +ATOM 9409 H2 TIP3 1033 -31.018 -19.068 -35.588 1.00 0.00 WAT +ATOM 9410 OH2 TIP3 1034 -40.192 -18.155 -29.663 1.00 0.00 WAT +ATOM 9411 H1 TIP3 1034 -40.023 -17.728 -28.815 1.00 0.00 WAT +ATOM 9412 H2 TIP3 1034 -40.514 -19.029 -29.384 1.00 0.00 WAT +ATOM 9413 OH2 TIP3 1035 -36.520 -20.763 -43.084 1.00 0.00 WAT +ATOM 9414 H1 TIP3 1035 -36.990 -21.009 -42.277 1.00 0.00 WAT +ATOM 9415 H2 TIP3 1035 -37.204 -20.208 -43.520 1.00 0.00 WAT +ATOM 9416 OH2 TIP3 1036 -43.210 -20.461 -35.961 1.00 0.00 WAT +ATOM 9417 H1 TIP3 1036 -43.051 -20.758 -35.046 1.00 0.00 WAT +ATOM 9418 H2 TIP3 1036 -42.869 -21.197 -36.474 1.00 0.00 WAT +ATOM 9419 OH2 TIP3 1037 -42.070 -20.280 -40.425 1.00 0.00 WAT +ATOM 9420 H1 TIP3 1037 -41.479 -19.854 -41.065 1.00 0.00 WAT +ATOM 9421 H2 TIP3 1037 -42.750 -19.607 -40.316 1.00 0.00 WAT +ATOM 9422 OH2 TIP3 1038 -32.061 -16.574 -30.531 1.00 0.00 WAT +ATOM 9423 H1 TIP3 1038 -31.653 -17.298 -31.059 1.00 0.00 WAT +ATOM 9424 H2 TIP3 1038 -32.478 -17.077 -29.814 1.00 0.00 WAT +ATOM 9425 OH2 TIP3 1039 -35.044 -20.721 -35.720 1.00 0.00 WAT +ATOM 9426 H1 TIP3 1039 -35.947 -20.671 -35.354 1.00 0.00 WAT +ATOM 9427 H2 TIP3 1039 -34.512 -20.842 -34.916 1.00 0.00 WAT +ATOM 9428 OH2 TIP3 1040 -40.294 -19.448 -36.821 1.00 0.00 WAT +ATOM 9429 H1 TIP3 1040 -41.027 -19.153 -37.403 1.00 0.00 WAT +ATOM 9430 H2 TIP3 1040 -40.029 -20.278 -37.252 1.00 0.00 WAT +ATOM 9431 OH2 TIP3 1041 -36.688 -19.087 -39.302 1.00 0.00 WAT +ATOM 9432 H1 TIP3 1041 -35.749 -18.869 -39.238 1.00 0.00 WAT +ATOM 9433 H2 TIP3 1041 -37.024 -18.445 -39.960 1.00 0.00 WAT +ATOM 9434 OH2 TIP3 1042 -30.568 -21.500 -32.602 1.00 0.00 WAT +ATOM 9435 H1 TIP3 1042 -31.153 -21.515 -31.814 1.00 0.00 WAT +ATOM 9436 H2 TIP3 1042 -31.189 -21.787 -33.287 1.00 0.00 WAT +ATOM 9437 OH2 TIP3 1043 -38.087 -17.943 -41.556 1.00 0.00 WAT +ATOM 9438 H1 TIP3 1043 -38.761 -18.346 -42.132 1.00 0.00 WAT +ATOM 9439 H2 TIP3 1043 -37.407 -17.670 -42.190 1.00 0.00 WAT +ATOM 9440 OH2 TIP3 1044 -27.422 -5.819 -25.919 1.00 0.00 WAT +ATOM 9441 H1 TIP3 1044 -27.311 -5.237 -26.689 1.00 0.00 WAT +ATOM 9442 H2 TIP3 1044 -26.916 -5.332 -25.248 1.00 0.00 WAT +ATOM 9443 OH2 TIP3 1045 -39.657 -13.423 -26.390 1.00 0.00 WAT +ATOM 9444 H1 TIP3 1045 -38.947 -12.930 -25.931 1.00 0.00 WAT +ATOM 9445 H2 TIP3 1045 -40.417 -13.025 -25.930 1.00 0.00 WAT +ATOM 9446 OH2 TIP3 1046 -33.901 -18.106 -33.773 1.00 0.00 WAT +ATOM 9447 H1 TIP3 1046 -33.123 -18.513 -34.181 1.00 0.00 WAT +ATOM 9448 H2 TIP3 1046 -34.064 -18.689 -33.004 1.00 0.00 WAT +ATOM 9449 OH2 TIP3 1047 -38.682 -21.760 -37.511 1.00 0.00 WAT +ATOM 9450 H1 TIP3 1047 -39.262 -22.538 -37.497 1.00 0.00 WAT +ATOM 9451 H2 TIP3 1047 -38.099 -21.939 -38.259 1.00 0.00 WAT +ATOM 9452 OH2 TIP3 1048 -34.882 -19.606 -31.512 1.00 0.00 WAT +ATOM 9453 H1 TIP3 1048 -35.687 -19.058 -31.483 1.00 0.00 WAT +ATOM 9454 H2 TIP3 1048 -34.428 -19.358 -30.679 1.00 0.00 WAT +ATOM 9455 OH2 TIP3 1049 -34.724 -13.295 -39.587 1.00 0.00 WAT +ATOM 9456 H1 TIP3 1049 -35.521 -13.731 -39.952 1.00 0.00 WAT +ATOM 9457 H2 TIP3 1049 -34.963 -13.181 -38.636 1.00 0.00 WAT +ATOM 9458 OH2 TIP3 1050 -27.634 -13.833 -30.580 1.00 0.00 WAT +ATOM 9459 H1 TIP3 1050 -27.116 -13.291 -31.207 1.00 0.00 WAT +ATOM 9460 H2 TIP3 1050 -28.433 -14.016 -31.105 1.00 0.00 WAT +ATOM 9461 OH2 TIP3 1051 -30.696 -20.574 -41.719 1.00 0.00 WAT +ATOM 9462 H1 TIP3 1051 -31.664 -20.467 -41.826 1.00 0.00 WAT +ATOM 9463 H2 TIP3 1051 -30.432 -19.766 -41.233 1.00 0.00 WAT +ATOM 9464 OH2 TIP3 1052 -33.002 -13.258 -28.289 1.00 0.00 WAT +ATOM 9465 H1 TIP3 1052 -33.422 -13.585 -27.475 1.00 0.00 WAT +ATOM 9466 H2 TIP3 1052 -33.330 -12.341 -28.302 1.00 0.00 WAT +ATOM 9467 OH2 TIP3 1053 -30.018 -18.627 -39.880 1.00 0.00 WAT +ATOM 9468 H1 TIP3 1053 -29.155 -18.797 -39.451 1.00 0.00 WAT +ATOM 9469 H2 TIP3 1053 -29.884 -17.742 -40.266 1.00 0.00 WAT +ATOM 9470 OH2 TIP3 1054 -39.821 -13.978 -33.935 1.00 0.00 WAT +ATOM 9471 H1 TIP3 1054 -39.086 -13.991 -34.571 1.00 0.00 WAT +ATOM 9472 H2 TIP3 1054 -39.627 -14.750 -33.376 1.00 0.00 WAT +ATOM 9473 OH2 TIP3 1055 -32.335 -11.902 -40.691 1.00 0.00 WAT +ATOM 9474 H1 TIP3 1055 -32.619 -11.015 -40.385 1.00 0.00 WAT +ATOM 9475 H2 TIP3 1055 -33.106 -12.433 -40.417 1.00 0.00 WAT +ATOM 9476 OH2 TIP3 1056 -42.337 -15.427 -28.239 1.00 0.00 WAT +ATOM 9477 H1 TIP3 1056 -42.328 -16.052 -27.493 1.00 0.00 WAT +ATOM 9478 H2 TIP3 1056 -42.864 -15.919 -28.909 1.00 0.00 WAT +ATOM 9479 OH2 TIP3 1057 -35.425 -16.068 -26.495 1.00 0.00 WAT +ATOM 9480 H1 TIP3 1057 -35.777 -16.317 -27.366 1.00 0.00 WAT +ATOM 9481 H2 TIP3 1057 -34.483 -16.277 -26.602 1.00 0.00 WAT +ATOM 9482 OH2 TIP3 1058 -25.302 -18.505 -39.979 1.00 0.00 WAT +ATOM 9483 H1 TIP3 1058 -25.923 -18.702 -40.703 1.00 0.00 WAT +ATOM 9484 H2 TIP3 1058 -25.168 -17.557 -40.157 1.00 0.00 WAT +ATOM 9485 OH2 TIP3 1059 -25.145 -12.548 -27.458 1.00 0.00 WAT +ATOM 9486 H1 TIP3 1059 -26.038 -12.352 -27.757 1.00 0.00 WAT +ATOM 9487 H2 TIP3 1059 -24.678 -12.715 -28.308 1.00 0.00 WAT +ATOM 9488 OH2 TIP3 1060 -27.083 -9.967 -39.922 1.00 0.00 WAT +ATOM 9489 H1 TIP3 1060 -27.356 -10.725 -39.386 1.00 0.00 WAT +ATOM 9490 H2 TIP3 1060 -26.728 -10.384 -40.721 1.00 0.00 WAT +ATOM 9491 OH2 TIP3 1061 -29.844 -14.683 -32.424 1.00 0.00 WAT +ATOM 9492 H1 TIP3 1061 -30.755 -14.843 -32.731 1.00 0.00 WAT +ATOM 9493 H2 TIP3 1061 -29.361 -15.358 -32.940 1.00 0.00 WAT +ATOM 9494 OH2 TIP3 1062 -37.253 -10.579 -36.584 1.00 0.00 WAT +ATOM 9495 H1 TIP3 1062 -36.869 -9.690 -36.628 1.00 0.00 WAT +ATOM 9496 H2 TIP3 1062 -38.194 -10.394 -36.712 1.00 0.00 WAT +ATOM 9497 OH2 TIP3 1063 -41.577 -15.627 -41.912 1.00 0.00 WAT +ATOM 9498 H1 TIP3 1063 -40.835 -15.044 -41.671 1.00 0.00 WAT +ATOM 9499 H2 TIP3 1063 -42.324 -15.059 -41.697 1.00 0.00 WAT +ATOM 9500 OH2 TIP3 1064 -35.430 -12.869 -36.921 1.00 0.00 WAT +ATOM 9501 H1 TIP3 1064 -35.733 -11.959 -36.760 1.00 0.00 WAT +ATOM 9502 H2 TIP3 1064 -36.147 -13.374 -36.503 1.00 0.00 WAT +ATOM 9503 OH2 TIP3 1065 -35.224 -8.631 -30.570 1.00 0.00 WAT +ATOM 9504 H1 TIP3 1065 -34.679 -7.863 -30.802 1.00 0.00 WAT +ATOM 9505 H2 TIP3 1065 -34.674 -9.083 -29.913 1.00 0.00 WAT +ATOM 9506 OH2 TIP3 1066 -36.813 -7.658 -37.366 1.00 0.00 WAT +ATOM 9507 H1 TIP3 1066 -37.767 -7.545 -37.232 1.00 0.00 WAT +ATOM 9508 H2 TIP3 1066 -36.470 -6.794 -37.070 1.00 0.00 WAT +ATOM 9509 OH2 TIP3 1067 -31.557 -12.804 -30.701 1.00 0.00 WAT +ATOM 9510 H1 TIP3 1067 -32.066 -13.173 -29.949 1.00 0.00 WAT +ATOM 9511 H2 TIP3 1067 -31.063 -13.574 -31.028 1.00 0.00 WAT +ATOM 9512 OH2 TIP3 1068 -29.695 -11.616 -41.946 1.00 0.00 WAT +ATOM 9513 H1 TIP3 1068 -29.214 -12.042 -41.211 1.00 0.00 WAT +ATOM 9514 H2 TIP3 1068 -30.598 -11.668 -41.594 1.00 0.00 WAT +ATOM 9515 OH2 TIP3 1069 -29.082 -8.615 -28.798 1.00 0.00 WAT +ATOM 9516 H1 TIP3 1069 -29.858 -8.486 -29.386 1.00 0.00 WAT +ATOM 9517 H2 TIP3 1069 -28.594 -7.804 -29.035 1.00 0.00 WAT +ATOM 9518 OH2 TIP3 1070 -24.799 -7.121 -41.597 1.00 0.00 WAT +ATOM 9519 H1 TIP3 1070 -24.105 -6.444 -41.442 1.00 0.00 WAT +ATOM 9520 H2 TIP3 1070 -25.600 -6.615 -41.345 1.00 0.00 WAT +ATOM 9521 OH2 TIP3 1071 -41.000 -20.857 -28.878 1.00 0.00 WAT +ATOM 9522 H1 TIP3 1071 -41.864 -20.461 -29.096 1.00 0.00 WAT +ATOM 9523 H2 TIP3 1071 -41.229 -21.703 -28.453 1.00 0.00 WAT +ATOM 9524 OH2 TIP3 1072 -28.712 -12.995 -39.698 1.00 0.00 WAT +ATOM 9525 H1 TIP3 1072 -28.975 -13.680 -39.059 1.00 0.00 WAT +ATOM 9526 H2 TIP3 1072 -27.742 -12.998 -39.595 1.00 0.00 WAT +ATOM 9527 OH2 TIP3 1073 -41.215 -9.041 -30.323 1.00 0.00 WAT +ATOM 9528 H1 TIP3 1073 -41.115 -9.994 -30.452 1.00 0.00 WAT +ATOM 9529 H2 TIP3 1073 -40.802 -8.986 -29.452 1.00 0.00 WAT +ATOM 9530 OH2 TIP3 1074 -35.197 -10.540 -43.261 1.00 0.00 WAT +ATOM 9531 H1 TIP3 1074 -34.837 -11.399 -43.536 1.00 0.00 WAT +ATOM 9532 H2 TIP3 1074 -35.749 -10.806 -42.498 1.00 0.00 WAT +ATOM 9533 OH2 TIP3 1075 -36.630 -10.992 -40.774 1.00 0.00 WAT +ATOM 9534 H1 TIP3 1075 -36.165 -11.500 -40.096 1.00 0.00 WAT +ATOM 9535 H2 TIP3 1075 -36.462 -10.069 -40.495 1.00 0.00 WAT +ATOM 9536 OH2 TIP3 1076 -39.832 -13.633 -40.348 1.00 0.00 WAT +ATOM 9537 H1 TIP3 1076 -40.603 -13.229 -39.880 1.00 0.00 WAT +ATOM 9538 H2 TIP3 1076 -39.412 -12.821 -40.665 1.00 0.00 WAT +ATOM 9539 OH2 TIP3 1077 -32.055 -21.184 -30.375 1.00 0.00 WAT +ATOM 9540 H1 TIP3 1077 -31.487 -20.768 -29.696 1.00 0.00 WAT +ATOM 9541 H2 TIP3 1077 -32.634 -21.758 -29.863 1.00 0.00 WAT +ATOM 9542 OH2 TIP3 1078 -31.632 -21.755 -39.146 1.00 0.00 WAT +ATOM 9543 H1 TIP3 1078 -31.357 -21.258 -39.940 1.00 0.00 WAT +ATOM 9544 H2 TIP3 1078 -31.158 -21.266 -38.446 1.00 0.00 WAT +ATOM 9545 OH2 TIP3 1079 -33.685 -9.412 -40.294 1.00 0.00 WAT +ATOM 9546 H1 TIP3 1079 -34.461 -8.904 -40.009 1.00 0.00 WAT +ATOM 9547 H2 TIP3 1079 -33.167 -8.726 -40.732 1.00 0.00 WAT +ATOM 9548 OH2 TIP3 1080 -33.983 -20.150 -38.217 1.00 0.00 WAT +ATOM 9549 H1 TIP3 1080 -33.382 -19.374 -38.228 1.00 0.00 WAT +ATOM 9550 H2 TIP3 1080 -34.434 -20.019 -37.353 1.00 0.00 WAT +ATOM 9551 OH2 TIP3 1081 -33.610 -18.742 -29.006 1.00 0.00 WAT +ATOM 9552 H1 TIP3 1081 -33.648 -18.216 -28.187 1.00 0.00 WAT +ATOM 9553 H2 TIP3 1081 -33.131 -19.518 -28.694 1.00 0.00 WAT +ATOM 9554 OH2 TIP3 1082 -36.481 -8.219 -40.246 1.00 0.00 WAT +ATOM 9555 H1 TIP3 1082 -36.451 -7.360 -40.714 1.00 0.00 WAT +ATOM 9556 H2 TIP3 1082 -36.629 -7.944 -39.321 1.00 0.00 WAT +ATOM 9557 OH2 TIP3 1083 -37.610 -21.620 -40.539 1.00 0.00 WAT +ATOM 9558 H1 TIP3 1083 -37.572 -20.746 -40.109 1.00 0.00 WAT +ATOM 9559 H2 TIP3 1083 -36.700 -21.941 -40.494 1.00 0.00 WAT +ATOM 9560 OH2 TIP3 1084 -27.404 -20.696 -28.141 1.00 0.00 WAT +ATOM 9561 H1 TIP3 1084 -28.366 -20.612 -28.259 1.00 0.00 WAT +ATOM 9562 H2 TIP3 1084 -27.158 -20.960 -29.037 1.00 0.00 WAT +ATOM 9563 OH2 TIP3 1085 -28.890 -16.877 -34.092 1.00 0.00 WAT +ATOM 9564 H1 TIP3 1085 -29.716 -17.324 -34.346 1.00 0.00 WAT +ATOM 9565 H2 TIP3 1085 -28.408 -17.586 -33.612 1.00 0.00 WAT +ATOM 9566 OH2 TIP3 1086 -39.342 -10.602 -41.618 1.00 0.00 WAT +ATOM 9567 H1 TIP3 1086 -38.533 -10.379 -41.131 1.00 0.00 WAT +ATOM 9568 H2 TIP3 1086 -38.984 -11.199 -42.294 1.00 0.00 WAT +ATOM 9569 OH2 TIP3 1087 -40.989 -18.477 -42.604 1.00 0.00 WAT +ATOM 9570 H1 TIP3 1087 -41.046 -17.528 -42.389 1.00 0.00 WAT +ATOM 9571 H2 TIP3 1087 -41.892 -18.675 -42.912 1.00 0.00 WAT +ATOM 9572 OH2 TIP3 1088 -27.794 -8.050 -32.614 1.00 0.00 WAT +ATOM 9573 H1 TIP3 1088 -28.069 -7.288 -33.161 1.00 0.00 WAT +ATOM 9574 H2 TIP3 1088 -26.863 -7.809 -32.466 1.00 0.00 WAT +ATOM 9575 OH2 TIP3 1089 -40.233 -23.635 -33.744 1.00 0.00 WAT +ATOM 9576 H1 TIP3 1089 -40.598 -23.625 -34.646 1.00 0.00 WAT +ATOM 9577 H2 TIP3 1089 -40.685 -24.410 -33.351 1.00 0.00 WAT +ATOM 9578 OH2 TIP3 1090 -41.321 -9.841 -37.414 1.00 0.00 WAT +ATOM 9579 H1 TIP3 1090 -42.277 -9.664 -37.364 1.00 0.00 WAT +ATOM 9580 H2 TIP3 1090 -41.094 -9.567 -38.310 1.00 0.00 WAT +ATOM 9581 OH2 TIP3 1091 -42.130 -7.108 -26.345 1.00 0.00 WAT +ATOM 9582 H1 TIP3 1091 -41.461 -7.044 -25.630 1.00 0.00 WAT +ATOM 9583 H2 TIP3 1091 -42.148 -8.075 -26.424 1.00 0.00 WAT +ATOM 9584 OH2 TIP3 1092 -37.043 -7.924 -24.611 1.00 0.00 WAT +ATOM 9585 H1 TIP3 1092 -36.545 -8.660 -24.235 1.00 0.00 WAT +ATOM 9586 H2 TIP3 1092 -37.444 -8.364 -25.376 1.00 0.00 WAT +ATOM 9587 OH2 TIP3 1093 -33.053 -8.699 -43.334 1.00 0.00 WAT +ATOM 9588 H1 TIP3 1093 -33.859 -9.251 -43.257 1.00 0.00 WAT +ATOM 9589 H2 TIP3 1093 -32.396 -9.387 -43.517 1.00 0.00 WAT +ATOM 9590 OH2 TIP3 1094 -30.442 -10.176 -26.313 1.00 0.00 WAT +ATOM 9591 H1 TIP3 1094 -31.171 -10.671 -25.878 1.00 0.00 WAT +ATOM 9592 H2 TIP3 1094 -30.128 -9.645 -25.554 1.00 0.00 WAT +ATOM 9593 OH2 TIP3 1095 -29.179 -9.001 -42.892 1.00 0.00 WAT +ATOM 9594 H1 TIP3 1095 -28.929 -9.807 -42.418 1.00 0.00 WAT +ATOM 9595 H2 TIP3 1095 -28.327 -8.606 -43.154 1.00 0.00 WAT +ATOM 9596 OH2 TIP3 1096 -42.156 -13.222 -25.479 1.00 0.00 WAT +ATOM 9597 H1 TIP3 1096 -41.825 -13.938 -26.038 1.00 0.00 WAT +ATOM 9598 H2 TIP3 1096 -42.756 -12.747 -26.074 1.00 0.00 WAT +ATOM 9599 OH2 TIP3 1097 -37.754 -12.965 -43.067 1.00 0.00 WAT +ATOM 9600 H1 TIP3 1097 -37.537 -13.593 -42.364 1.00 0.00 WAT +ATOM 9601 H2 TIP3 1097 -37.029 -13.060 -43.701 1.00 0.00 WAT +ATOM 9602 OH2 TIP3 1098 -35.255 -13.171 -26.137 1.00 0.00 WAT +ATOM 9603 H1 TIP3 1098 -35.977 -12.917 -26.729 1.00 0.00 WAT +ATOM 9604 H2 TIP3 1098 -35.343 -14.139 -26.072 1.00 0.00 WAT +ATOM 9605 OH2 TIP3 1099 -32.448 -11.902 -43.479 1.00 0.00 WAT +ATOM 9606 H1 TIP3 1099 -32.306 -11.771 -42.523 1.00 0.00 WAT +ATOM 9607 H2 TIP3 1099 -31.797 -12.583 -43.698 1.00 0.00 WAT +ATOM 9608 OH2 TIP3 1100 -41.391 -16.612 -25.829 1.00 0.00 WAT +ATOM 9609 H1 TIP3 1100 -40.524 -17.040 -25.955 1.00 0.00 WAT +ATOM 9610 H2 TIP3 1100 -41.215 -16.070 -25.046 1.00 0.00 WAT +ATOM 9611 OH2 TIP3 1101 -36.737 -14.977 -40.908 1.00 0.00 WAT +ATOM 9612 H1 TIP3 1101 -37.367 -15.404 -40.305 1.00 0.00 WAT +ATOM 9613 H2 TIP3 1101 -36.410 -15.732 -41.431 1.00 0.00 WAT +ATOM 9614 OH2 TIP3 1102 -37.474 -17.226 -28.528 1.00 0.00 WAT +ATOM 9615 H1 TIP3 1102 -38.060 -16.468 -28.346 1.00 0.00 WAT +ATOM 9616 H2 TIP3 1102 -36.857 -16.846 -29.176 1.00 0.00 WAT +ATOM 9617 OH2 TIP3 1103 -35.529 -16.951 -42.696 1.00 0.00 WAT +ATOM 9618 H1 TIP3 1103 -35.560 -17.082 -43.654 1.00 0.00 WAT +ATOM 9619 H2 TIP3 1103 -34.565 -16.905 -42.531 1.00 0.00 WAT +ATOM 9620 OH2 TIP3 1104 -32.277 -14.562 -25.023 1.00 0.00 WAT +ATOM 9621 H1 TIP3 1104 -31.370 -14.727 -25.309 1.00 0.00 WAT +ATOM 9622 H2 TIP3 1104 -32.465 -15.359 -24.499 1.00 0.00 WAT +ATOM 9623 OH2 TIP3 1105 -36.899 -19.937 -27.406 1.00 0.00 WAT +ATOM 9624 H1 TIP3 1105 -36.841 -20.593 -28.123 1.00 0.00 WAT +ATOM 9625 H2 TIP3 1105 -37.122 -19.125 -27.895 1.00 0.00 WAT +ATOM 9626 OH2 TIP3 1106 -36.559 -21.458 -29.972 1.00 0.00 WAT +ATOM 9627 H1 TIP3 1106 -36.076 -20.929 -30.626 1.00 0.00 WAT +ATOM 9628 H2 TIP3 1106 -37.482 -21.442 -30.308 1.00 0.00 WAT +ATOM 9629 OH2 TIP3 1107 -35.006 -16.011 -29.570 1.00 0.00 WAT +ATOM 9630 H1 TIP3 1107 -34.176 -16.071 -30.060 1.00 0.00 WAT +ATOM 9631 H2 TIP3 1107 -35.356 -15.153 -29.883 1.00 0.00 WAT +ATOM 9632 OH2 TIP3 1108 -30.418 -18.259 -24.854 1.00 0.00 WAT +ATOM 9633 H1 TIP3 1108 -30.280 -19.179 -24.588 1.00 0.00 WAT +ATOM 9634 H2 TIP3 1108 -29.584 -17.863 -24.562 1.00 0.00 WAT +ATOM 9635 OH2 TIP3 1109 -29.568 -15.116 -26.567 1.00 0.00 WAT +ATOM 9636 H1 TIP3 1109 -29.743 -14.354 -27.122 1.00 0.00 WAT +ATOM 9637 H2 TIP3 1109 -28.621 -15.286 -26.748 1.00 0.00 WAT +ATOM 9638 OH2 TIP3 1110 -38.813 -18.048 -25.645 1.00 0.00 WAT +ATOM 9639 H1 TIP3 1110 -39.301 -18.891 -25.655 1.00 0.00 WAT +ATOM 9640 H2 TIP3 1110 -37.974 -18.295 -26.061 1.00 0.00 WAT +ATOM 9641 OH2 TIP3 1111 -36.036 -24.197 -29.618 1.00 0.00 WAT +ATOM 9642 H1 TIP3 1111 -36.082 -23.248 -29.763 1.00 0.00 WAT +ATOM 9643 H2 TIP3 1111 -36.707 -24.566 -30.236 1.00 0.00 WAT +ATOM 9644 OH2 TIP3 1112 -34.563 -19.560 -25.840 1.00 0.00 WAT +ATOM 9645 H1 TIP3 1112 -34.861 -19.778 -24.938 1.00 0.00 WAT +ATOM 9646 H2 TIP3 1112 -35.383 -19.763 -26.335 1.00 0.00 WAT +ATOM 9647 OH2 TIP3 1113 -32.017 -20.636 -26.925 1.00 0.00 WAT +ATOM 9648 H1 TIP3 1113 -32.891 -20.487 -26.521 1.00 0.00 WAT +ATOM 9649 H2 TIP3 1113 -31.544 -21.048 -26.176 1.00 0.00 WAT +ATOM 9650 OH2 TIP3 1114 -30.296 -21.653 -24.626 1.00 0.00 WAT +ATOM 9651 H1 TIP3 1114 -30.406 -22.620 -24.689 1.00 0.00 WAT +ATOM 9652 H2 TIP3 1114 -30.656 -21.464 -23.746 1.00 0.00 WAT +ATOM 9653 OH2 TIP3 1115 -40.166 -20.588 -25.794 1.00 0.00 WAT +ATOM 9654 H1 TIP3 1115 -40.158 -21.320 -26.431 1.00 0.00 WAT +ATOM 9655 H2 TIP3 1115 -40.319 -21.055 -24.950 1.00 0.00 WAT +ATOM 9656 OH2 TIP3 1116 -36.005 -24.625 -26.773 1.00 0.00 WAT +ATOM 9657 H1 TIP3 1116 -35.406 -25.389 -26.732 1.00 0.00 WAT +ATOM 9658 H2 TIP3 1116 -36.000 -24.462 -27.738 1.00 0.00 WAT +ATOM 9659 OH2 TIP3 1117 -35.004 -22.757 -24.907 1.00 0.00 WAT +ATOM 9660 H1 TIP3 1117 -35.325 -23.353 -25.614 1.00 0.00 WAT +ATOM 9661 H2 TIP3 1117 -35.700 -22.083 -24.862 1.00 0.00 WAT +ATOM 9662 OH2 TIP3 1118 -35.942 -5.730 -41.723 1.00 0.00 WAT +ATOM 9663 H1 TIP3 1118 -34.990 -5.596 -41.603 1.00 0.00 WAT +ATOM 9664 H2 TIP3 1118 -36.164 -5.125 -42.448 1.00 0.00 WAT +ATOM 9665 OH2 TIP3 1119 -41.867 -11.612 -41.928 1.00 0.00 WAT +ATOM 9666 H1 TIP3 1119 -41.050 -11.089 -41.793 1.00 0.00 WAT +ATOM 9667 H2 TIP3 1119 -41.886 -11.727 -42.880 1.00 0.00 WAT +ATOM 9668 OH2 TIP3 1120 -42.718 -8.012 -35.215 1.00 0.00 WAT +ATOM 9669 H1 TIP3 1120 -42.752 -8.926 -34.878 1.00 0.00 WAT +ATOM 9670 H2 TIP3 1120 -42.453 -7.552 -34.409 1.00 0.00 WAT +ATOM 9671 OH2 TIP3 1121 -25.133 -6.930 -32.227 1.00 0.00 WAT +ATOM 9672 H1 TIP3 1121 -25.062 -6.876 -31.261 1.00 0.00 WAT +ATOM 9673 H2 TIP3 1121 -24.294 -6.535 -32.500 1.00 0.00 WAT +ATOM 9674 OH2 TIP3 1122 -25.493 -7.642 -29.419 1.00 0.00 WAT +ATOM 9675 H1 TIP3 1122 -25.952 -8.429 -29.726 1.00 0.00 WAT +ATOM 9676 H2 TIP3 1122 -24.865 -8.014 -28.780 1.00 0.00 WAT +ATOM 9677 OH2 TIP3 1123 -27.429 -11.860 -25.211 1.00 0.00 WAT +ATOM 9678 H1 TIP3 1123 -28.199 -11.908 -24.610 1.00 0.00 WAT +ATOM 9679 H2 TIP3 1123 -26.863 -11.213 -24.753 1.00 0.00 WAT +ATOM 9680 OH2 TIP3 1124 -25.863 -13.155 -39.303 1.00 0.00 WAT +ATOM 9681 H1 TIP3 1124 -24.965 -12.795 -39.169 1.00 0.00 WAT +ATOM 9682 H2 TIP3 1124 -25.902 -13.789 -38.562 1.00 0.00 WAT +ATOM 9683 OH2 TIP3 1125 -25.409 -15.149 -37.318 1.00 0.00 WAT +ATOM 9684 H1 TIP3 1125 -26.069 -15.708 -36.866 1.00 0.00 WAT +ATOM 9685 H2 TIP3 1125 -24.718 -15.018 -36.638 1.00 0.00 WAT +ATOM 9686 OH2 TIP3 1126 -25.663 -12.645 -32.351 1.00 0.00 WAT +ATOM 9687 H1 TIP3 1126 -25.049 -13.144 -32.912 1.00 0.00 WAT +ATOM 9688 H2 TIP3 1126 -25.529 -11.737 -32.673 1.00 0.00 WAT +ATOM 9689 OH2 TIP3 1127 -25.145 -15.495 -41.071 1.00 0.00 WAT +ATOM 9690 H1 TIP3 1127 -25.740 -15.168 -41.763 1.00 0.00 WAT +ATOM 9691 H2 TIP3 1127 -25.299 -14.824 -40.385 1.00 0.00 WAT +ATOM 9692 OH2 TIP3 1128 -26.937 -18.098 -42.156 1.00 0.00 WAT +ATOM 9693 H1 TIP3 1128 -26.604 -17.307 -42.614 1.00 0.00 WAT +ATOM 9694 H2 TIP3 1128 -26.421 -18.798 -42.570 1.00 0.00 WAT +ATOM 9695 OH2 TIP3 1129 -27.502 -17.002 -36.510 1.00 0.00 WAT +ATOM 9696 H1 TIP3 1129 -27.538 -17.963 -36.643 1.00 0.00 WAT +ATOM 9697 H2 TIP3 1129 -27.847 -16.905 -35.600 1.00 0.00 WAT +ATOM 9698 OH2 TIP3 1130 -42.568 -14.511 -32.558 1.00 0.00 WAT +ATOM 9699 H1 TIP3 1130 -42.200 -14.264 -33.417 1.00 0.00 WAT +ATOM 9700 H2 TIP3 1130 -41.783 -14.927 -32.139 1.00 0.00 WAT +ATOM 9701 OH2 TIP3 1131 -26.894 -14.994 -27.340 1.00 0.00 WAT +ATOM 9702 H1 TIP3 1131 -26.285 -15.750 -27.210 1.00 0.00 WAT +ATOM 9703 H2 TIP3 1131 -26.261 -14.286 -27.509 1.00 0.00 WAT +ATOM 9704 OH2 TIP3 1132 -25.292 -16.932 -26.273 1.00 0.00 WAT +ATOM 9705 H1 TIP3 1132 -26.066 -17.512 -26.444 1.00 0.00 WAT +ATOM 9706 H2 TIP3 1132 -24.577 -17.594 -26.202 1.00 0.00 WAT +ATOM 9707 OH2 TIP3 1133 -27.655 -21.452 -43.357 1.00 0.00 WAT +ATOM 9708 H1 TIP3 1133 -26.994 -21.488 -42.652 1.00 0.00 WAT +ATOM 9709 H2 TIP3 1133 -28.503 -21.607 -42.923 1.00 0.00 WAT +ATOM 9710 OH2 TIP3 1134 -27.680 -19.468 -38.378 1.00 0.00 WAT +ATOM 9711 H1 TIP3 1134 -27.393 -20.405 -38.281 1.00 0.00 WAT +ATOM 9712 H2 TIP3 1134 -26.862 -19.072 -38.719 1.00 0.00 WAT +ATOM 9713 OH2 TIP3 1135 -27.370 -18.873 -32.893 1.00 0.00 WAT +ATOM 9714 H1 TIP3 1135 -26.396 -18.775 -32.914 1.00 0.00 WAT +ATOM 9715 H2 TIP3 1135 -27.508 -18.861 -31.929 1.00 0.00 WAT +ATOM 9716 OH2 TIP3 1136 -27.202 -18.202 -30.102 1.00 0.00 WAT +ATOM 9717 H1 TIP3 1136 -28.048 -17.821 -29.802 1.00 0.00 WAT +ATOM 9718 H2 TIP3 1136 -26.680 -17.400 -30.300 1.00 0.00 WAT +ATOM 9719 OH2 TIP3 1137 -42.849 -19.591 -26.501 1.00 0.00 WAT +ATOM 9720 H1 TIP3 1137 -41.949 -19.945 -26.421 1.00 0.00 WAT +ATOM 9721 H2 TIP3 1137 -43.421 -20.327 -26.244 1.00 0.00 WAT +ATOM 9722 OH2 TIP3 1138 -24.640 -24.028 -24.790 1.00 0.00 WAT +ATOM 9723 H1 TIP3 1138 -24.240 -24.731 -25.333 1.00 0.00 WAT +ATOM 9724 H2 TIP3 1138 -24.591 -23.256 -25.384 1.00 0.00 WAT +ATOM 9725 OH2 TIP3 1139 -27.147 -22.186 -38.293 1.00 0.00 WAT +ATOM 9726 H1 TIP3 1139 -26.916 -22.596 -37.433 1.00 0.00 WAT +ATOM 9727 H2 TIP3 1139 -27.871 -22.769 -38.595 1.00 0.00 WAT +ATOM 9728 OH2 TIP3 1140 -41.943 -20.992 -33.335 1.00 0.00 WAT +ATOM 9729 H1 TIP3 1140 -41.606 -21.898 -33.299 1.00 0.00 WAT +ATOM 9730 H2 TIP3 1140 -41.158 -20.463 -33.106 1.00 0.00 WAT +ATOM 9731 OH2 TIP3 1141 -43.316 -18.398 -32.441 1.00 0.00 WAT +ATOM 9732 H1 TIP3 1141 -42.926 -18.858 -33.197 1.00 0.00 WAT +ATOM 9733 H2 TIP3 1141 -43.287 -17.474 -32.725 1.00 0.00 WAT +ATOM 9734 OH2 TIP3 1142 -25.158 -22.005 -26.629 1.00 0.00 WAT +ATOM 9735 H1 TIP3 1142 -26.028 -21.637 -26.373 1.00 0.00 WAT +ATOM 9736 H2 TIP3 1142 -25.409 -22.556 -27.394 1.00 0.00 WAT +ATOM 9737 OH2 TIP3 1143 -25.132 -21.813 -41.796 1.00 0.00 WAT +ATOM 9738 H1 TIP3 1143 -24.846 -22.572 -42.319 1.00 0.00 WAT +ATOM 9739 H2 TIP3 1143 -24.285 -21.346 -41.688 1.00 0.00 WAT +ATOM 9740 OH2 TIP3 1144 -43.156 -22.258 -38.945 1.00 0.00 WAT +ATOM 9741 H1 TIP3 1144 -44.012 -21.991 -39.315 1.00 0.00 WAT +ATOM 9742 H2 TIP3 1144 -42.578 -21.579 -39.364 1.00 0.00 WAT +ATOM 9743 OH2 TIP3 1145 -28.298 -6.869 -36.426 1.00 0.00 WAT +ATOM 9744 H1 TIP3 1145 -27.756 -7.094 -37.198 1.00 0.00 WAT +ATOM 9745 H2 TIP3 1145 -27.663 -6.422 -35.850 1.00 0.00 WAT +ATOM 9746 OH2 TIP3 1146 -42.919 -23.320 -30.585 1.00 0.00 WAT +ATOM 9747 H1 TIP3 1146 -43.592 -23.390 -29.867 1.00 0.00 WAT +ATOM 9748 H2 TIP3 1146 -43.356 -22.804 -31.278 1.00 0.00 WAT +ATOM 9749 OH2 TIP3 1147 -38.084 -9.099 -30.209 1.00 0.00 WAT +ATOM 9750 H1 TIP3 1147 -38.301 -8.174 -30.404 1.00 0.00 WAT +ATOM 9751 H2 TIP3 1147 -37.134 -9.025 -30.030 1.00 0.00 WAT +ATOM 9752 OH2 TIP3 1148 -33.455 -7.877 -27.031 1.00 0.00 WAT +ATOM 9753 H1 TIP3 1148 -33.437 -7.969 -26.065 1.00 0.00 WAT +ATOM 9754 H2 TIP3 1148 -32.659 -7.338 -27.204 1.00 0.00 WAT +ATOM 9755 OH2 TIP3 1149 -31.160 -6.417 -27.791 1.00 0.00 WAT +ATOM 9756 H1 TIP3 1149 -30.491 -7.104 -27.887 1.00 0.00 WAT +ATOM 9757 H2 TIP3 1149 -30.898 -6.021 -26.936 1.00 0.00 WAT +ATOM 9758 OH2 TIP3 1150 -26.391 -23.765 -28.583 1.00 0.00 WAT +ATOM 9759 H1 TIP3 1150 -27.215 -23.594 -29.070 1.00 0.00 WAT +ATOM 9760 H2 TIP3 1150 -26.172 -24.670 -28.888 1.00 0.00 WAT +ATOM 9761 OH2 TIP3 1151 -40.760 -5.604 -29.352 1.00 0.00 WAT +ATOM 9762 H1 TIP3 1151 -41.373 -5.544 -30.103 1.00 0.00 WAT +ATOM 9763 H2 TIP3 1151 -41.053 -6.400 -28.895 1.00 0.00 WAT +ATOM 9764 OH2 TIP3 1152 -38.188 -6.352 -31.113 1.00 0.00 WAT +ATOM 9765 H1 TIP3 1152 -39.006 -6.118 -30.652 1.00 0.00 WAT +ATOM 9766 H2 TIP3 1152 -38.153 -5.690 -31.827 1.00 0.00 WAT +ATOM 9767 OH2 TIP3 1153 -33.378 -6.398 -31.564 1.00 0.00 WAT +ATOM 9768 H1 TIP3 1153 -33.790 -5.932 -32.313 1.00 0.00 WAT +ATOM 9769 H2 TIP3 1153 -33.316 -5.674 -30.906 1.00 0.00 WAT +ATOM 9770 OH2 TIP3 1154 -31.074 -7.725 -30.623 1.00 0.00 WAT +ATOM 9771 H1 TIP3 1154 -31.923 -7.340 -30.926 1.00 0.00 WAT +ATOM 9772 H2 TIP3 1154 -30.523 -6.923 -30.616 1.00 0.00 WAT +ATOM 9773 OH2 TIP3 1155 -28.542 -5.976 -30.430 1.00 0.00 WAT +ATOM 9774 H1 TIP3 1155 -28.582 -5.009 -30.578 1.00 0.00 WAT +ATOM 9775 H2 TIP3 1155 -28.266 -6.275 -31.311 1.00 0.00 WAT +ATOM 9776 OH2 TIP3 1156 -41.161 -7.263 -32.668 1.00 0.00 WAT +ATOM 9777 H1 TIP3 1156 -41.321 -7.826 -31.883 1.00 0.00 WAT +ATOM 9778 H2 TIP3 1156 -40.494 -7.797 -33.137 1.00 0.00 WAT +ATOM 9779 OH2 TIP3 1157 -39.094 -8.619 -34.256 1.00 0.00 WAT +ATOM 9780 H1 TIP3 1157 -39.274 -9.533 -33.944 1.00 0.00 WAT +ATOM 9781 H2 TIP3 1157 -38.213 -8.458 -33.872 1.00 0.00 WAT +ATOM 9782 OH2 TIP3 1158 -36.270 -8.158 -33.388 1.00 0.00 WAT +ATOM 9783 H1 TIP3 1158 -36.150 -9.102 -33.599 1.00 0.00 WAT +ATOM 9784 H2 TIP3 1158 -36.251 -8.201 -32.417 1.00 0.00 WAT +ATOM 9785 OH2 TIP3 1159 -32.951 -22.261 -34.390 1.00 0.00 WAT +ATOM 9786 H1 TIP3 1159 -33.507 -22.908 -33.941 1.00 0.00 WAT +ATOM 9787 H2 TIP3 1159 -32.194 -22.798 -34.685 1.00 0.00 WAT +ATOM 9788 OH2 TIP3 1160 -28.016 -24.213 -33.616 1.00 0.00 WAT +ATOM 9789 H1 TIP3 1160 -27.216 -23.857 -34.038 1.00 0.00 WAT +ATOM 9790 H2 TIP3 1160 -28.738 -23.814 -34.134 1.00 0.00 WAT +ATOM 9791 OH2 TIP3 1161 -25.960 -23.046 -35.773 1.00 0.00 WAT +ATOM 9792 H1 TIP3 1161 -25.268 -23.570 -36.209 1.00 0.00 WAT +ATOM 9793 H2 TIP3 1161 -25.536 -22.166 -35.701 1.00 0.00 WAT +ATOM 9794 OH2 TIP3 1162 -41.008 -23.676 -36.608 1.00 0.00 WAT +ATOM 9795 H1 TIP3 1162 -41.798 -23.942 -37.098 1.00 0.00 WAT +ATOM 9796 H2 TIP3 1162 -40.470 -24.486 -36.646 1.00 0.00 WAT +ATOM 9797 OH2 TIP3 1163 -41.771 -23.999 -40.812 1.00 0.00 WAT +ATOM 9798 H1 TIP3 1163 -41.336 -23.300 -41.339 1.00 0.00 WAT +ATOM 9799 H2 TIP3 1163 -42.301 -23.463 -40.195 1.00 0.00 WAT +ATOM 9800 OH2 TIP3 1164 -30.466 -23.683 -35.203 1.00 0.00 WAT +ATOM 9801 H1 TIP3 1164 -30.416 -23.684 -36.178 1.00 0.00 WAT +ATOM 9802 H2 TIP3 1164 -30.739 -24.576 -34.981 1.00 0.00 WAT +ATOM 9803 OH2 TIP3 1165 -29.430 -23.647 -39.247 1.00 0.00 WAT +ATOM 9804 H1 TIP3 1165 -30.226 -23.130 -39.455 1.00 0.00 WAT +ATOM 9805 H2 TIP3 1165 -29.735 -24.558 -39.326 1.00 0.00 WAT +ATOM 9806 OH2 TIP3 1166 -41.779 -8.043 -39.924 1.00 0.00 WAT +ATOM 9807 H1 TIP3 1166 -42.657 -8.254 -40.269 1.00 0.00 WAT +ATOM 9808 H2 TIP3 1166 -41.860 -7.107 -39.712 1.00 0.00 WAT +ATOM 9809 OH2 TIP3 1167 -40.011 -22.193 -42.330 1.00 0.00 WAT +ATOM 9810 H1 TIP3 1167 -39.499 -22.898 -42.745 1.00 0.00 WAT +ATOM 9811 H2 TIP3 1167 -39.393 -21.843 -41.670 1.00 0.00 WAT +ATOM 9812 OH2 TIP3 1168 -32.976 -6.465 -41.463 1.00 0.00 WAT +ATOM 9813 H1 TIP3 1168 -32.002 -6.337 -41.500 1.00 0.00 WAT +ATOM 9814 H2 TIP3 1168 -33.081 -7.078 -42.214 1.00 0.00 WAT +ATOM 9815 OH2 TIP3 1169 -26.332 -7.273 -38.851 1.00 0.00 WAT +ATOM 9816 H1 TIP3 1169 -26.657 -8.099 -39.267 1.00 0.00 WAT +ATOM 9817 H2 TIP3 1169 -26.576 -6.603 -39.522 1.00 0.00 WAT +ATOM 9818 OH2 TIP3 1170 -40.787 -23.297 -27.030 1.00 0.00 WAT +ATOM 9819 H1 TIP3 1170 -41.245 -24.052 -26.625 1.00 0.00 WAT +ATOM 9820 H2 TIP3 1170 -39.876 -23.448 -26.723 1.00 0.00 WAT +ATOM 9821 OH2 TIP3 1171 -38.449 -23.922 -25.271 1.00 0.00 WAT +ATOM 9822 H1 TIP3 1171 -37.618 -24.264 -25.663 1.00 0.00 WAT +ATOM 9823 H2 TIP3 1171 -38.776 -24.719 -24.818 1.00 0.00 WAT +ATOM 9824 OH2 TIP3 1172 -39.799 -7.026 -42.447 1.00 0.00 WAT +ATOM 9825 H1 TIP3 1172 -40.203 -6.787 -41.602 1.00 0.00 WAT +ATOM 9826 H2 TIP3 1172 -39.175 -7.717 -42.198 1.00 0.00 WAT +ATOM 9827 OH2 TIP3 1173 -30.310 -24.601 -25.089 1.00 0.00 WAT +ATOM 9828 H1 TIP3 1173 -30.288 -25.068 -24.232 1.00 0.00 WAT +ATOM 9829 H2 TIP3 1173 -29.369 -24.642 -25.347 1.00 0.00 WAT +ATOM 9830 OH2 TIP3 1174 -26.927 -8.489 -26.492 1.00 0.00 WAT +ATOM 9831 H1 TIP3 1174 -27.784 -8.588 -26.919 1.00 0.00 WAT +ATOM 9832 H2 TIP3 1174 -26.992 -7.554 -26.191 1.00 0.00 WAT +ATOM 9833 OH2 TIP3 1175 -12.737 -14.819 -36.285 1.00 0.00 WAT +ATOM 9834 H1 TIP3 1175 -12.755 -13.859 -36.144 1.00 0.00 WAT +ATOM 9835 H2 TIP3 1175 -13.515 -14.949 -36.844 1.00 0.00 WAT +ATOM 9836 OH2 TIP3 1176 -13.901 -15.366 -33.204 1.00 0.00 WAT +ATOM 9837 H1 TIP3 1176 -13.905 -15.918 -32.405 1.00 0.00 WAT +ATOM 9838 H2 TIP3 1176 -14.171 -16.004 -33.881 1.00 0.00 WAT +ATOM 9839 OH2 TIP3 1177 -21.417 -15.784 -31.524 1.00 0.00 WAT +ATOM 9840 H1 TIP3 1177 -21.429 -16.538 -30.905 1.00 0.00 WAT +ATOM 9841 H2 TIP3 1177 -20.706 -15.247 -31.144 1.00 0.00 WAT +ATOM 9842 OH2 TIP3 1178 -10.217 -12.616 -34.882 1.00 0.00 WAT +ATOM 9843 H1 TIP3 1178 -10.584 -13.337 -34.352 1.00 0.00 WAT +ATOM 9844 H2 TIP3 1178 -9.926 -12.008 -34.188 1.00 0.00 WAT +ATOM 9845 OH2 TIP3 1179 -20.766 -11.137 -33.045 1.00 0.00 WAT +ATOM 9846 H1 TIP3 1179 -21.000 -12.059 -33.286 1.00 0.00 WAT +ATOM 9847 H2 TIP3 1179 -19.840 -11.264 -32.792 1.00 0.00 WAT +ATOM 9848 OH2 TIP3 1180 -23.763 -17.738 -37.632 1.00 0.00 WAT +ATOM 9849 H1 TIP3 1180 -24.172 -16.865 -37.527 1.00 0.00 WAT +ATOM 9850 H2 TIP3 1180 -24.464 -18.234 -38.076 1.00 0.00 WAT +ATOM 9851 OH2 TIP3 1181 -22.967 -15.291 -35.788 1.00 0.00 WAT +ATOM 9852 H1 TIP3 1181 -22.815 -16.122 -35.296 1.00 0.00 WAT +ATOM 9853 H2 TIP3 1181 -22.123 -15.185 -36.247 1.00 0.00 WAT +ATOM 9854 OH2 TIP3 1182 -13.146 -7.261 -34.320 1.00 0.00 WAT +ATOM 9855 H1 TIP3 1182 -12.570 -7.987 -34.627 1.00 0.00 WAT +ATOM 9856 H2 TIP3 1182 -13.428 -7.584 -33.454 1.00 0.00 WAT +ATOM 9857 OH2 TIP3 1183 -15.405 -12.856 -32.644 1.00 0.00 WAT +ATOM 9858 H1 TIP3 1183 -15.076 -13.588 -33.195 1.00 0.00 WAT +ATOM 9859 H2 TIP3 1183 -14.600 -12.701 -32.111 1.00 0.00 WAT +ATOM 9860 OH2 TIP3 1184 -6.735 -21.346 -31.994 1.00 0.00 WAT +ATOM 9861 H1 TIP3 1184 -6.499 -20.728 -31.281 1.00 0.00 WAT +ATOM 9862 H2 TIP3 1184 -6.127 -21.052 -32.697 1.00 0.00 WAT +ATOM 9863 OH2 TIP3 1185 -12.098 -18.522 -32.127 1.00 0.00 WAT +ATOM 9864 H1 TIP3 1185 -11.974 -19.484 -32.063 1.00 0.00 WAT +ATOM 9865 H2 TIP3 1185 -12.199 -18.407 -33.085 1.00 0.00 WAT +ATOM 9866 OH2 TIP3 1186 -19.140 -20.517 -35.047 1.00 0.00 WAT +ATOM 9867 H1 TIP3 1186 -18.994 -19.665 -35.502 1.00 0.00 WAT +ATOM 9868 H2 TIP3 1186 -19.488 -21.045 -35.790 1.00 0.00 WAT +ATOM 9869 OH2 TIP3 1187 -11.303 -20.355 -36.740 1.00 0.00 WAT +ATOM 9870 H1 TIP3 1187 -10.728 -20.797 -36.079 1.00 0.00 WAT +ATOM 9871 H2 TIP3 1187 -10.639 -19.922 -37.296 1.00 0.00 WAT +ATOM 9872 OH2 TIP3 1188 -22.445 -17.783 -34.537 1.00 0.00 WAT +ATOM 9873 H1 TIP3 1188 -21.815 -18.256 -33.967 1.00 0.00 WAT +ATOM 9874 H2 TIP3 1188 -22.356 -18.276 -35.372 1.00 0.00 WAT +ATOM 9875 OH2 TIP3 1189 -17.063 -16.395 -35.087 1.00 0.00 WAT +ATOM 9876 H1 TIP3 1189 -16.361 -16.945 -34.688 1.00 0.00 WAT +ATOM 9877 H2 TIP3 1189 -17.568 -17.065 -35.585 1.00 0.00 WAT +ATOM 9878 OH2 TIP3 1190 -6.015 -19.974 -29.515 1.00 0.00 WAT +ATOM 9879 H1 TIP3 1190 -6.601 -19.251 -29.801 1.00 0.00 WAT +ATOM 9880 H2 TIP3 1190 -6.198 -19.983 -28.565 1.00 0.00 WAT +ATOM 9881 OH2 TIP3 1191 -20.326 -21.723 -30.893 1.00 0.00 WAT +ATOM 9882 H1 TIP3 1191 -20.749 -21.221 -31.605 1.00 0.00 WAT +ATOM 9883 H2 TIP3 1191 -20.983 -21.605 -30.176 1.00 0.00 WAT +ATOM 9884 OH2 TIP3 1192 -12.811 -11.935 -37.520 1.00 0.00 WAT +ATOM 9885 H1 TIP3 1192 -13.200 -12.208 -38.354 1.00 0.00 WAT +ATOM 9886 H2 TIP3 1192 -13.293 -11.114 -37.318 1.00 0.00 WAT +ATOM 9887 OH2 TIP3 1193 -17.402 -13.840 -30.770 1.00 0.00 WAT +ATOM 9888 H1 TIP3 1193 -18.141 -13.247 -30.513 1.00 0.00 WAT +ATOM 9889 H2 TIP3 1193 -16.780 -13.223 -31.195 1.00 0.00 WAT +ATOM 9890 OH2 TIP3 1194 -9.449 -21.104 -34.700 1.00 0.00 WAT +ATOM 9891 H1 TIP3 1194 -9.866 -21.689 -34.055 1.00 0.00 WAT +ATOM 9892 H2 TIP3 1194 -8.941 -20.504 -34.127 1.00 0.00 WAT +ATOM 9893 OH2 TIP3 1195 -20.744 -19.665 -32.957 1.00 0.00 WAT +ATOM 9894 H1 TIP3 1195 -20.092 -19.106 -32.481 1.00 0.00 WAT +ATOM 9895 H2 TIP3 1195 -20.165 -20.044 -33.655 1.00 0.00 WAT +ATOM 9896 OH2 TIP3 1196 -19.429 -11.974 -30.059 1.00 0.00 WAT +ATOM 9897 H1 TIP3 1196 -19.453 -11.038 -30.333 1.00 0.00 WAT +ATOM 9898 H2 TIP3 1196 -20.281 -12.037 -29.588 1.00 0.00 WAT +ATOM 9899 OH2 TIP3 1197 -23.117 -12.263 -39.186 1.00 0.00 WAT +ATOM 9900 H1 TIP3 1197 -23.304 -11.819 -40.035 1.00 0.00 WAT +ATOM 9901 H2 TIP3 1197 -22.947 -11.523 -38.568 1.00 0.00 WAT +ATOM 9902 OH2 TIP3 1198 -9.658 -10.826 -32.400 1.00 0.00 WAT +ATOM 9903 H1 TIP3 1198 -10.626 -10.697 -32.358 1.00 0.00 WAT +ATOM 9904 H2 TIP3 1198 -9.377 -9.961 -32.750 1.00 0.00 WAT +ATOM 9905 OH2 TIP3 1199 -9.326 -21.946 -30.849 1.00 0.00 WAT +ATOM 9906 H1 TIP3 1199 -10.099 -21.559 -31.302 1.00 0.00 WAT +ATOM 9907 H2 TIP3 1199 -8.605 -21.760 -31.479 1.00 0.00 WAT +ATOM 9908 OH2 TIP3 1200 -16.192 -24.234 -33.797 1.00 0.00 WAT +ATOM 9909 H1 TIP3 1200 -16.424 -25.180 -33.848 1.00 0.00 WAT +ATOM 9910 H2 TIP3 1200 -17.015 -23.850 -33.426 1.00 0.00 WAT +ATOM 9911 OH2 TIP3 1201 -11.362 -8.875 -35.832 1.00 0.00 WAT +ATOM 9912 H1 TIP3 1201 -10.879 -9.672 -36.125 1.00 0.00 WAT +ATOM 9913 H2 TIP3 1201 -10.675 -8.189 -35.921 1.00 0.00 WAT +ATOM 9914 OH2 TIP3 1202 -9.889 -11.012 -37.219 1.00 0.00 WAT +ATOM 9915 H1 TIP3 1202 -10.437 -11.479 -37.865 1.00 0.00 WAT +ATOM 9916 H2 TIP3 1202 -9.936 -11.628 -36.462 1.00 0.00 WAT +ATOM 9917 OH2 TIP3 1203 -8.354 -12.191 -28.704 1.00 0.00 WAT +ATOM 9918 H1 TIP3 1203 -8.463 -12.838 -29.425 1.00 0.00 WAT +ATOM 9919 H2 TIP3 1203 -8.240 -11.356 -29.196 1.00 0.00 WAT +ATOM 9920 OH2 TIP3 1204 -14.059 -15.308 -39.047 1.00 0.00 WAT +ATOM 9921 H1 TIP3 1204 -14.734 -14.700 -39.402 1.00 0.00 WAT +ATOM 9922 H2 TIP3 1204 -13.344 -15.225 -39.696 1.00 0.00 WAT +ATOM 9923 OH2 TIP3 1205 -13.890 -17.057 -42.074 1.00 0.00 WAT +ATOM 9924 H1 TIP3 1205 -13.214 -16.764 -41.441 1.00 0.00 WAT +ATOM 9925 H2 TIP3 1205 -13.353 -17.674 -42.619 1.00 0.00 WAT +ATOM 9926 OH2 TIP3 1206 -6.601 -16.021 -30.761 1.00 0.00 WAT +ATOM 9927 H1 TIP3 1206 -7.322 -15.366 -30.679 1.00 0.00 WAT +ATOM 9928 H2 TIP3 1206 -6.121 -15.673 -31.538 1.00 0.00 WAT +ATOM 9929 OH2 TIP3 1207 -10.582 -15.288 -37.947 1.00 0.00 WAT +ATOM 9930 H1 TIP3 1207 -11.274 -15.087 -37.275 1.00 0.00 WAT +ATOM 9931 H2 TIP3 1207 -9.988 -15.858 -37.424 1.00 0.00 WAT +ATOM 9932 OH2 TIP3 1208 -10.746 -16.751 -29.094 1.00 0.00 WAT +ATOM 9933 H1 TIP3 1208 -10.689 -15.927 -28.582 1.00 0.00 WAT +ATOM 9934 H2 TIP3 1208 -11.397 -16.465 -29.760 1.00 0.00 WAT +ATOM 9935 OH2 TIP3 1209 -18.988 -14.518 -36.161 1.00 0.00 WAT +ATOM 9936 H1 TIP3 1209 -19.295 -14.959 -36.976 1.00 0.00 WAT +ATOM 9937 H2 TIP3 1209 -18.344 -15.161 -35.815 1.00 0.00 WAT +ATOM 9938 OH2 TIP3 1210 -17.617 -11.102 -33.431 1.00 0.00 WAT +ATOM 9939 H1 TIP3 1210 -17.728 -11.523 -34.293 1.00 0.00 WAT +ATOM 9940 H2 TIP3 1210 -16.833 -11.571 -33.084 1.00 0.00 WAT +ATOM 9941 OH2 TIP3 1211 -18.407 -15.697 -32.674 1.00 0.00 WAT +ATOM 9942 H1 TIP3 1211 -17.821 -15.675 -33.454 1.00 0.00 WAT +ATOM 9943 H2 TIP3 1211 -17.998 -15.040 -32.079 1.00 0.00 WAT +ATOM 9944 OH2 TIP3 1212 -12.449 -10.196 -32.095 1.00 0.00 WAT +ATOM 9945 H1 TIP3 1212 -12.436 -9.520 -31.395 1.00 0.00 WAT +ATOM 9946 H2 TIP3 1212 -12.684 -11.011 -31.617 1.00 0.00 WAT +ATOM 9947 OH2 TIP3 1213 -17.558 -11.389 -27.839 1.00 0.00 WAT +ATOM 9948 H1 TIP3 1213 -18.063 -10.726 -27.334 1.00 0.00 WAT +ATOM 9949 H2 TIP3 1213 -18.207 -11.648 -28.518 1.00 0.00 WAT +ATOM 9950 OH2 TIP3 1214 -11.510 -15.815 -40.570 1.00 0.00 WAT +ATOM 9951 H1 TIP3 1214 -11.091 -15.572 -39.717 1.00 0.00 WAT +ATOM 9952 H2 TIP3 1214 -10.887 -15.412 -41.206 1.00 0.00 WAT +ATOM 9953 OH2 TIP3 1215 -20.635 -14.956 -28.734 1.00 0.00 WAT +ATOM 9954 H1 TIP3 1215 -20.581 -14.417 -27.923 1.00 0.00 WAT +ATOM 9955 H2 TIP3 1215 -21.587 -15.144 -28.780 1.00 0.00 WAT +ATOM 9956 OH2 TIP3 1216 -14.176 -9.232 -36.962 1.00 0.00 WAT +ATOM 9957 H1 TIP3 1216 -13.683 -8.982 -36.171 1.00 0.00 WAT +ATOM 9958 H2 TIP3 1216 -14.653 -8.419 -37.184 1.00 0.00 WAT +ATOM 9959 OH2 TIP3 1217 -19.451 -9.215 -27.019 1.00 0.00 WAT +ATOM 9960 H1 TIP3 1217 -19.578 -9.171 -27.982 1.00 0.00 WAT +ATOM 9961 H2 TIP3 1217 -20.332 -9.471 -26.687 1.00 0.00 WAT +ATOM 9962 OH2 TIP3 1218 -8.111 -24.159 -40.567 1.00 0.00 WAT +ATOM 9963 H1 TIP3 1218 -9.076 -24.076 -40.473 1.00 0.00 WAT +ATOM 9964 H2 TIP3 1218 -7.900 -23.361 -41.070 1.00 0.00 WAT +ATOM 9965 OH2 TIP3 1219 -20.062 -15.767 -38.621 1.00 0.00 WAT +ATOM 9966 H1 TIP3 1219 -20.297 -15.020 -39.200 1.00 0.00 WAT +ATOM 9967 H2 TIP3 1219 -20.718 -16.429 -38.875 1.00 0.00 WAT +ATOM 9968 OH2 TIP3 1220 -7.006 -9.823 -42.560 1.00 0.00 WAT +ATOM 9969 H1 TIP3 1220 -6.719 -9.059 -42.034 1.00 0.00 WAT +ATOM 9970 H2 TIP3 1220 -6.302 -10.477 -42.391 1.00 0.00 WAT +ATOM 9971 OH2 TIP3 1221 -24.047 -13.115 -29.906 1.00 0.00 WAT +ATOM 9972 H1 TIP3 1221 -24.422 -13.143 -30.809 1.00 0.00 WAT +ATOM 9973 H2 TIP3 1221 -23.847 -14.057 -29.740 1.00 0.00 WAT +ATOM 9974 OH2 TIP3 1222 -23.945 -10.187 -32.951 1.00 0.00 WAT +ATOM 9975 H1 TIP3 1222 -23.018 -10.471 -32.925 1.00 0.00 WAT +ATOM 9976 H2 TIP3 1222 -23.958 -9.525 -32.245 1.00 0.00 WAT +ATOM 9977 OH2 TIP3 1223 -5.570 -9.548 -27.209 1.00 0.00 WAT +ATOM 9978 H1 TIP3 1223 -5.669 -10.499 -27.385 1.00 0.00 WAT +ATOM 9979 H2 TIP3 1223 -6.477 -9.319 -26.907 1.00 0.00 WAT +ATOM 9980 OH2 TIP3 1224 -14.925 -10.333 -28.407 1.00 0.00 WAT +ATOM 9981 H1 TIP3 1224 -14.840 -9.518 -27.870 1.00 0.00 WAT +ATOM 9982 H2 TIP3 1224 -15.822 -10.636 -28.161 1.00 0.00 WAT +ATOM 9983 OH2 TIP3 1225 -14.607 -6.536 -38.471 1.00 0.00 WAT +ATOM 9984 H1 TIP3 1225 -14.621 -6.417 -39.435 1.00 0.00 WAT +ATOM 9985 H2 TIP3 1225 -14.573 -5.625 -38.139 1.00 0.00 WAT +ATOM 9986 OH2 TIP3 1226 -20.832 -7.408 -36.809 1.00 0.00 WAT +ATOM 9987 H1 TIP3 1226 -20.657 -7.834 -35.944 1.00 0.00 WAT +ATOM 9988 H2 TIP3 1226 -21.696 -7.785 -37.023 1.00 0.00 WAT +ATOM 9989 OH2 TIP3 1227 -11.379 -6.914 -41.327 1.00 0.00 WAT +ATOM 9990 H1 TIP3 1227 -10.938 -7.520 -41.960 1.00 0.00 WAT +ATOM 9991 H2 TIP3 1227 -11.381 -7.444 -40.510 1.00 0.00 WAT +ATOM 9992 OH2 TIP3 1228 -11.897 -7.660 -38.618 1.00 0.00 WAT +ATOM 9993 H1 TIP3 1228 -12.831 -7.493 -38.399 1.00 0.00 WAT +ATOM 9994 H2 TIP3 1228 -11.680 -8.341 -37.962 1.00 0.00 WAT +ATOM 9995 OH2 TIP3 1229 -8.781 -18.205 -26.772 1.00 0.00 WAT +ATOM 9996 H1 TIP3 1229 -9.303 -17.810 -27.485 1.00 0.00 WAT +ATOM 9997 H2 TIP3 1229 -8.736 -19.137 -27.057 1.00 0.00 WAT +ATOM 9998 OH2 TIP3 1230 -21.841 -11.553 -28.632 1.00 0.00 WAT +ATOM 9999 H1 TIP3 1230 -21.543 -12.019 -27.823 1.00 0.00 WAT +ATOM 10000 H2 TIP3 1230 -22.538 -12.135 -28.979 1.00 0.00 WAT +ATOM 10001 OH2 TIP3 1231 -18.616 -23.079 -32.890 1.00 0.00 WAT +ATOM 10002 H1 TIP3 1231 -19.438 -23.146 -33.407 1.00 0.00 WAT +ATOM 10003 H2 TIP3 1231 -18.856 -22.359 -32.286 1.00 0.00 WAT +ATOM 10004 OH2 TIP3 1232 -14.247 -23.507 -29.248 1.00 0.00 WAT +ATOM 10005 H1 TIP3 1232 -13.728 -24.032 -28.608 1.00 0.00 WAT +ATOM 10006 H2 TIP3 1232 -15.156 -23.840 -29.119 1.00 0.00 WAT +ATOM 10007 OH2 TIP3 1233 -11.082 -19.707 -28.716 1.00 0.00 WAT +ATOM 10008 H1 TIP3 1233 -11.700 -19.867 -27.978 1.00 0.00 WAT +ATOM 10009 H2 TIP3 1233 -11.162 -18.750 -28.870 1.00 0.00 WAT +ATOM 10010 OH2 TIP3 1234 -9.289 -15.025 -42.501 1.00 0.00 WAT +ATOM 10011 H1 TIP3 1234 -9.759 -15.199 -43.333 1.00 0.00 WAT +ATOM 10012 H2 TIP3 1234 -8.956 -14.138 -42.682 1.00 0.00 WAT +ATOM 10013 OH2 TIP3 1235 -14.418 -21.123 -42.159 1.00 0.00 WAT +ATOM 10014 H1 TIP3 1235 -14.970 -21.092 -41.366 1.00 0.00 WAT +ATOM 10015 H2 TIP3 1235 -14.876 -21.807 -42.663 1.00 0.00 WAT +ATOM 10016 OH2 TIP3 1236 -18.770 -18.301 -31.498 1.00 0.00 WAT +ATOM 10017 H1 TIP3 1236 -19.307 -18.183 -30.697 1.00 0.00 WAT +ATOM 10018 H2 TIP3 1236 -18.691 -17.383 -31.835 1.00 0.00 WAT +ATOM 10019 OH2 TIP3 1237 -18.819 -18.213 -36.606 1.00 0.00 WAT +ATOM 10020 H1 TIP3 1237 -19.773 -18.331 -36.766 1.00 0.00 WAT +ATOM 10021 H2 TIP3 1237 -18.465 -18.419 -37.496 1.00 0.00 WAT +ATOM 10022 OH2 TIP3 1238 -13.137 -17.677 -37.854 1.00 0.00 WAT +ATOM 10023 H1 TIP3 1238 -13.546 -16.850 -38.184 1.00 0.00 WAT +ATOM 10024 H2 TIP3 1238 -12.504 -17.877 -38.564 1.00 0.00 WAT +ATOM 10025 OH2 TIP3 1239 -14.023 -17.453 -26.469 1.00 0.00 WAT +ATOM 10026 H1 TIP3 1239 -14.529 -18.209 -26.107 1.00 0.00 WAT +ATOM 10027 H2 TIP3 1239 -13.147 -17.588 -26.061 1.00 0.00 WAT +ATOM 10028 OH2 TIP3 1240 -12.354 -18.267 -35.054 1.00 0.00 WAT +ATOM 10029 H1 TIP3 1240 -12.631 -17.694 -35.796 1.00 0.00 WAT +ATOM 10030 H2 TIP3 1240 -12.142 -19.080 -35.556 1.00 0.00 WAT +ATOM 10031 OH2 TIP3 1241 -21.455 -18.114 -29.627 1.00 0.00 WAT +ATOM 10032 H1 TIP3 1241 -21.106 -17.850 -28.767 1.00 0.00 WAT +ATOM 10033 H2 TIP3 1241 -21.766 -19.018 -29.439 1.00 0.00 WAT +ATOM 10034 OH2 TIP3 1242 -17.642 -20.656 -43.111 1.00 0.00 WAT +ATOM 10035 H1 TIP3 1242 -18.010 -20.998 -42.273 1.00 0.00 WAT +ATOM 10036 H2 TIP3 1242 -18.427 -20.206 -43.478 1.00 0.00 WAT +ATOM 10037 OH2 TIP3 1243 -24.559 -20.643 -36.007 1.00 0.00 WAT +ATOM 10038 H1 TIP3 1243 -23.945 -20.687 -35.252 1.00 0.00 WAT +ATOM 10039 H2 TIP3 1243 -24.062 -21.053 -36.734 1.00 0.00 WAT +ATOM 10040 OH2 TIP3 1244 -23.012 -20.231 -40.376 1.00 0.00 WAT +ATOM 10041 H1 TIP3 1244 -22.425 -19.777 -41.012 1.00 0.00 WAT +ATOM 10042 H2 TIP3 1244 -23.664 -19.539 -40.176 1.00 0.00 WAT +ATOM 10043 OH2 TIP3 1245 -13.257 -16.583 -30.587 1.00 0.00 WAT +ATOM 10044 H1 TIP3 1245 -12.816 -17.307 -31.088 1.00 0.00 WAT +ATOM 10045 H2 TIP3 1245 -13.590 -17.061 -29.814 1.00 0.00 WAT +ATOM 10046 OH2 TIP3 1246 -16.044 -20.626 -35.573 1.00 0.00 WAT +ATOM 10047 H1 TIP3 1246 -16.989 -20.680 -35.353 1.00 0.00 WAT +ATOM 10048 H2 TIP3 1246 -15.633 -20.827 -34.715 1.00 0.00 WAT +ATOM 10049 OH2 TIP3 1247 -21.474 -19.406 -36.898 1.00 0.00 WAT +ATOM 10050 H1 TIP3 1247 -22.294 -19.151 -37.358 1.00 0.00 WAT +ATOM 10051 H2 TIP3 1247 -21.182 -20.200 -37.384 1.00 0.00 WAT +ATOM 10052 OH2 TIP3 1248 -17.874 -18.987 -39.202 1.00 0.00 WAT +ATOM 10053 H1 TIP3 1248 -16.902 -18.976 -39.159 1.00 0.00 WAT +ATOM 10054 H2 TIP3 1248 -18.086 -18.433 -39.970 1.00 0.00 WAT +ATOM 10055 OH2 TIP3 1249 -11.658 -21.494 -32.558 1.00 0.00 WAT +ATOM 10056 H1 TIP3 1249 -12.295 -21.485 -31.810 1.00 0.00 WAT +ATOM 10057 H2 TIP3 1249 -12.240 -21.829 -33.262 1.00 0.00 WAT +ATOM 10058 OH2 TIP3 1250 -19.303 -17.843 -41.598 1.00 0.00 WAT +ATOM 10059 H1 TIP3 1250 -19.905 -18.390 -42.131 1.00 0.00 WAT +ATOM 10060 H2 TIP3 1250 -18.538 -17.736 -42.179 1.00 0.00 WAT +ATOM 10061 OH2 TIP3 1251 -8.656 -5.723 -25.903 1.00 0.00 WAT +ATOM 10062 H1 TIP3 1251 -8.416 -5.246 -26.715 1.00 0.00 WAT +ATOM 10063 H2 TIP3 1251 -8.005 -5.380 -25.269 1.00 0.00 WAT +ATOM 10064 OH2 TIP3 1252 -20.752 -13.097 -26.469 1.00 0.00 WAT +ATOM 10065 H1 TIP3 1252 -20.081 -13.017 -25.757 1.00 0.00 WAT +ATOM 10066 H2 TIP3 1252 -21.564 -13.088 -25.926 1.00 0.00 WAT +ATOM 10067 OH2 TIP3 1253 -15.031 -18.084 -33.746 1.00 0.00 WAT +ATOM 10068 H1 TIP3 1253 -14.301 -18.525 -34.204 1.00 0.00 WAT +ATOM 10069 H2 TIP3 1253 -15.199 -18.693 -32.998 1.00 0.00 WAT +ATOM 10070 OH2 TIP3 1254 -19.719 -21.667 -37.619 1.00 0.00 WAT +ATOM 10071 H1 TIP3 1254 -20.275 -22.450 -37.476 1.00 0.00 WAT +ATOM 10072 H2 TIP3 1254 -18.900 -22.057 -37.956 1.00 0.00 WAT +ATOM 10073 OH2 TIP3 1255 -16.053 -19.618 -31.512 1.00 0.00 WAT +ATOM 10074 H1 TIP3 1255 -16.838 -19.046 -31.486 1.00 0.00 WAT +ATOM 10075 H2 TIP3 1255 -15.575 -19.375 -30.693 1.00 0.00 WAT +ATOM 10076 OH2 TIP3 1256 -15.908 -13.244 -39.606 1.00 0.00 WAT +ATOM 10077 H1 TIP3 1256 -16.677 -13.741 -39.954 1.00 0.00 WAT +ATOM 10078 H2 TIP3 1256 -16.111 -13.191 -38.643 1.00 0.00 WAT +ATOM 10079 OH2 TIP3 1257 -8.693 -14.079 -30.870 1.00 0.00 WAT +ATOM 10080 H1 TIP3 1257 -8.199 -13.533 -31.519 1.00 0.00 WAT +ATOM 10081 H2 TIP3 1257 -9.551 -14.188 -31.325 1.00 0.00 WAT +ATOM 10082 OH2 TIP3 1258 -11.749 -20.472 -41.831 1.00 0.00 WAT +ATOM 10083 H1 TIP3 1258 -12.728 -20.509 -41.863 1.00 0.00 WAT +ATOM 10084 H2 TIP3 1258 -11.557 -19.709 -41.250 1.00 0.00 WAT +ATOM 10085 OH2 TIP3 1259 -14.288 -13.232 -28.287 1.00 0.00 WAT +ATOM 10086 H1 TIP3 1259 -14.575 -13.551 -27.420 1.00 0.00 WAT +ATOM 10087 H2 TIP3 1259 -14.583 -12.308 -28.278 1.00 0.00 WAT +ATOM 10088 OH2 TIP3 1260 -11.153 -18.614 -39.879 1.00 0.00 WAT +ATOM 10089 H1 TIP3 1260 -10.291 -18.797 -39.454 1.00 0.00 WAT +ATOM 10090 H2 TIP3 1260 -11.000 -17.746 -40.293 1.00 0.00 WAT +ATOM 10091 OH2 TIP3 1261 -20.788 -13.852 -33.783 1.00 0.00 WAT +ATOM 10092 H1 TIP3 1261 -20.221 -13.959 -34.565 1.00 0.00 WAT +ATOM 10093 H2 TIP3 1261 -20.673 -14.706 -33.335 1.00 0.00 WAT +ATOM 10094 OH2 TIP3 1262 -13.482 -11.894 -40.720 1.00 0.00 WAT +ATOM 10095 H1 TIP3 1262 -13.764 -11.020 -40.378 1.00 0.00 WAT +ATOM 10096 H2 TIP3 1262 -14.232 -12.443 -40.423 1.00 0.00 WAT +ATOM 10097 OH2 TIP3 1263 -23.565 -15.572 -28.531 1.00 0.00 WAT +ATOM 10098 H1 TIP3 1263 -23.375 -16.003 -27.672 1.00 0.00 WAT +ATOM 10099 H2 TIP3 1263 -24.150 -16.218 -28.958 1.00 0.00 WAT +ATOM 10100 OH2 TIP3 1264 -16.548 -16.061 -26.545 1.00 0.00 WAT +ATOM 10101 H1 TIP3 1264 -16.882 -16.321 -27.419 1.00 0.00 WAT +ATOM 10102 H2 TIP3 1264 -15.619 -16.345 -26.615 1.00 0.00 WAT +ATOM 10103 OH2 TIP3 1265 -12.017 -10.638 -28.816 1.00 0.00 WAT +ATOM 10104 H1 TIP3 1265 -12.984 -10.551 -28.868 1.00 0.00 WAT +ATOM 10105 H2 TIP3 1265 -11.847 -10.389 -27.891 1.00 0.00 WAT +ATOM 10106 OH2 TIP3 1266 -6.441 -18.514 -39.990 1.00 0.00 WAT +ATOM 10107 H1 TIP3 1266 -7.069 -18.715 -40.711 1.00 0.00 WAT +ATOM 10108 H2 TIP3 1266 -6.320 -17.565 -40.170 1.00 0.00 WAT +ATOM 10109 OH2 TIP3 1267 -6.033 -12.551 -27.226 1.00 0.00 WAT +ATOM 10110 H1 TIP3 1267 -6.968 -12.330 -27.424 1.00 0.00 WAT +ATOM 10111 H2 TIP3 1267 -5.693 -12.720 -28.126 1.00 0.00 WAT +ATOM 10112 OH2 TIP3 1268 -8.208 -9.962 -39.931 1.00 0.00 WAT +ATOM 10113 H1 TIP3 1268 -8.524 -10.693 -39.377 1.00 0.00 WAT +ATOM 10114 H2 TIP3 1268 -7.865 -10.423 -40.707 1.00 0.00 WAT +ATOM 10115 OH2 TIP3 1269 -11.036 -14.640 -32.571 1.00 0.00 WAT +ATOM 10116 H1 TIP3 1269 -11.971 -14.801 -32.799 1.00 0.00 WAT +ATOM 10117 H2 TIP3 1269 -10.601 -15.368 -33.057 1.00 0.00 WAT +ATOM 10118 OH2 TIP3 1270 -18.401 -10.574 -36.553 1.00 0.00 WAT +ATOM 10119 H1 TIP3 1270 -17.984 -9.703 -36.645 1.00 0.00 WAT +ATOM 10120 H2 TIP3 1270 -19.326 -10.372 -36.744 1.00 0.00 WAT +ATOM 10121 OH2 TIP3 1271 -22.336 -15.654 -41.996 1.00 0.00 WAT +ATOM 10122 H1 TIP3 1271 -21.777 -15.008 -41.524 1.00 0.00 WAT +ATOM 10123 H2 TIP3 1271 -23.228 -15.437 -41.665 1.00 0.00 WAT +ATOM 10124 OH2 TIP3 1272 -16.574 -12.866 -36.916 1.00 0.00 WAT +ATOM 10125 H1 TIP3 1272 -16.890 -11.961 -36.757 1.00 0.00 WAT +ATOM 10126 H2 TIP3 1272 -17.264 -13.383 -36.473 1.00 0.00 WAT +ATOM 10127 OH2 TIP3 1273 -16.409 -8.616 -30.554 1.00 0.00 WAT +ATOM 10128 H1 TIP3 1273 -15.851 -7.865 -30.816 1.00 0.00 WAT +ATOM 10129 H2 TIP3 1273 -15.802 -9.108 -29.976 1.00 0.00 WAT +ATOM 10130 OH2 TIP3 1274 -17.963 -7.661 -37.353 1.00 0.00 WAT +ATOM 10131 H1 TIP3 1274 -18.919 -7.529 -37.237 1.00 0.00 WAT +ATOM 10132 H2 TIP3 1274 -17.614 -6.793 -37.076 1.00 0.00 WAT +ATOM 10133 OH2 TIP3 1275 -13.006 -12.866 -30.984 1.00 0.00 WAT +ATOM 10134 H1 TIP3 1275 -13.288 -13.135 -30.091 1.00 0.00 WAT +ATOM 10135 H2 TIP3 1275 -12.262 -13.468 -31.148 1.00 0.00 WAT +ATOM 10136 OH2 TIP3 1276 -10.815 -11.521 -41.944 1.00 0.00 WAT +ATOM 10137 H1 TIP3 1276 -10.349 -12.000 -41.230 1.00 0.00 WAT +ATOM 10138 H2 TIP3 1276 -11.728 -11.646 -41.634 1.00 0.00 WAT +ATOM 10139 OH2 TIP3 1277 -10.045 -8.305 -28.598 1.00 0.00 WAT +ATOM 10140 H1 TIP3 1277 -10.814 -8.749 -29.004 1.00 0.00 WAT +ATOM 10141 H2 TIP3 1277 -9.961 -7.497 -29.136 1.00 0.00 WAT +ATOM 10142 OH2 TIP3 1278 -5.952 -7.123 -41.610 1.00 0.00 WAT +ATOM 10143 H1 TIP3 1278 -5.244 -6.458 -41.462 1.00 0.00 WAT +ATOM 10144 H2 TIP3 1278 -6.738 -6.601 -41.347 1.00 0.00 WAT +ATOM 10145 OH2 TIP3 1279 -22.202 -20.927 -28.916 1.00 0.00 WAT +ATOM 10146 H1 TIP3 1279 -23.118 -20.674 -29.140 1.00 0.00 WAT +ATOM 10147 H2 TIP3 1279 -22.341 -21.782 -28.468 1.00 0.00 WAT +ATOM 10148 OH2 TIP3 1280 -9.849 -12.973 -39.701 1.00 0.00 WAT +ATOM 10149 H1 TIP3 1280 -10.135 -13.665 -39.077 1.00 0.00 WAT +ATOM 10150 H2 TIP3 1280 -8.881 -13.005 -39.587 1.00 0.00 WAT +ATOM 10151 OH2 TIP3 1281 -22.469 -9.177 -30.491 1.00 0.00 WAT +ATOM 10152 H1 TIP3 1281 -22.129 -10.067 -30.315 1.00 0.00 WAT +ATOM 10153 H2 TIP3 1281 -22.243 -8.734 -29.663 1.00 0.00 WAT +ATOM 10154 OH2 TIP3 1282 -16.340 -10.537 -43.251 1.00 0.00 WAT +ATOM 10155 H1 TIP3 1282 -15.976 -11.388 -43.551 1.00 0.00 WAT +ATOM 10156 H2 TIP3 1282 -16.901 -10.832 -42.507 1.00 0.00 WAT +ATOM 10157 OH2 TIP3 1283 -17.808 -10.985 -40.740 1.00 0.00 WAT +ATOM 10158 H1 TIP3 1283 -17.278 -11.525 -40.136 1.00 0.00 WAT +ATOM 10159 H2 TIP3 1283 -17.579 -10.073 -40.472 1.00 0.00 WAT +ATOM 10160 OH2 TIP3 1284 -20.937 -13.624 -40.376 1.00 0.00 WAT +ATOM 10161 H1 TIP3 1284 -21.675 -13.209 -39.883 1.00 0.00 WAT +ATOM 10162 H2 TIP3 1284 -20.447 -12.838 -40.666 1.00 0.00 WAT +ATOM 10163 OH2 TIP3 1285 -13.226 -21.092 -30.362 1.00 0.00 WAT +ATOM 10164 H1 TIP3 1285 -12.624 -20.824 -29.653 1.00 0.00 WAT +ATOM 10165 H2 TIP3 1285 -13.731 -21.822 -29.952 1.00 0.00 WAT +ATOM 10166 OH2 TIP3 1286 -12.655 -21.522 -39.209 1.00 0.00 WAT +ATOM 10167 H1 TIP3 1286 -12.333 -21.036 -39.984 1.00 0.00 WAT +ATOM 10168 H2 TIP3 1286 -12.127 -21.136 -38.493 1.00 0.00 WAT +ATOM 10169 OH2 TIP3 1287 -14.835 -9.402 -40.290 1.00 0.00 WAT +ATOM 10170 H1 TIP3 1287 -15.611 -8.890 -40.012 1.00 0.00 WAT +ATOM 10171 H2 TIP3 1287 -14.318 -8.727 -40.744 1.00 0.00 WAT +ATOM 10172 OH2 TIP3 1288 -15.211 -19.612 -38.151 1.00 0.00 WAT +ATOM 10173 H1 TIP3 1288 -14.414 -19.063 -38.004 1.00 0.00 WAT +ATOM 10174 H2 TIP3 1288 -15.491 -19.801 -37.235 1.00 0.00 WAT +ATOM 10175 OH2 TIP3 1289 -14.813 -18.737 -28.999 1.00 0.00 WAT +ATOM 10176 H1 TIP3 1289 -14.779 -18.223 -28.175 1.00 0.00 WAT +ATOM 10177 H2 TIP3 1289 -14.289 -19.514 -28.762 1.00 0.00 WAT +ATOM 10178 OH2 TIP3 1290 -14.561 -22.610 -37.231 1.00 0.00 WAT +ATOM 10179 H1 TIP3 1290 -14.766 -21.920 -36.573 1.00 0.00 WAT +ATOM 10180 H2 TIP3 1290 -13.856 -22.174 -37.752 1.00 0.00 WAT +ATOM 10181 OH2 TIP3 1291 -17.634 -8.208 -40.248 1.00 0.00 WAT +ATOM 10182 H1 TIP3 1291 -17.594 -7.351 -40.719 1.00 0.00 WAT +ATOM 10183 H2 TIP3 1291 -17.767 -7.932 -39.323 1.00 0.00 WAT +ATOM 10184 OH2 TIP3 1292 -18.858 -21.525 -40.814 1.00 0.00 WAT +ATOM 10185 H1 TIP3 1292 -18.902 -20.844 -40.123 1.00 0.00 WAT +ATOM 10186 H2 TIP3 1292 -18.139 -22.095 -40.480 1.00 0.00 WAT +ATOM 10187 OH2 TIP3 1293 -8.554 -20.727 -28.097 1.00 0.00 WAT +ATOM 10188 H1 TIP3 1293 -9.511 -20.597 -28.254 1.00 0.00 WAT +ATOM 10189 H2 TIP3 1293 -8.290 -20.947 -29.004 1.00 0.00 WAT +ATOM 10190 OH2 TIP3 1294 -10.036 -16.891 -34.091 1.00 0.00 WAT +ATOM 10191 H1 TIP3 1294 -10.860 -17.343 -34.351 1.00 0.00 WAT +ATOM 10192 H2 TIP3 1294 -9.557 -17.602 -33.612 1.00 0.00 WAT +ATOM 10193 OH2 TIP3 1295 -20.524 -10.643 -41.577 1.00 0.00 WAT +ATOM 10194 H1 TIP3 1295 -19.702 -10.379 -41.130 1.00 0.00 WAT +ATOM 10195 H2 TIP3 1295 -20.153 -11.173 -42.300 1.00 0.00 WAT +ATOM 10196 OH2 TIP3 1296 -22.260 -18.470 -42.561 1.00 0.00 WAT +ATOM 10197 H1 TIP3 1296 -22.135 -17.515 -42.393 1.00 0.00 WAT +ATOM 10198 H2 TIP3 1296 -23.173 -18.500 -42.888 1.00 0.00 WAT +ATOM 10199 OH2 TIP3 1297 -9.017 -8.047 -32.721 1.00 0.00 WAT +ATOM 10200 H1 TIP3 1297 -9.182 -7.209 -33.195 1.00 0.00 WAT +ATOM 10201 H2 TIP3 1297 -8.101 -7.906 -32.435 1.00 0.00 WAT +ATOM 10202 OH2 TIP3 1298 -21.413 -23.521 -33.708 1.00 0.00 WAT +ATOM 10203 H1 TIP3 1298 -21.584 -23.553 -34.671 1.00 0.00 WAT +ATOM 10204 H2 TIP3 1298 -21.743 -24.386 -33.403 1.00 0.00 WAT +ATOM 10205 OH2 TIP3 1299 -22.542 -10.020 -37.478 1.00 0.00 WAT +ATOM 10206 H1 TIP3 1299 -23.311 -9.487 -37.237 1.00 0.00 WAT +ATOM 10207 H2 TIP3 1299 -22.133 -9.495 -38.179 1.00 0.00 WAT +ATOM 10208 OH2 TIP3 1300 -23.048 -7.136 -26.355 1.00 0.00 WAT +ATOM 10209 H1 TIP3 1300 -22.540 -7.358 -25.550 1.00 0.00 WAT +ATOM 10210 H2 TIP3 1300 -23.467 -7.987 -26.578 1.00 0.00 WAT +ATOM 10211 OH2 TIP3 1301 -18.402 -8.044 -24.485 1.00 0.00 WAT +ATOM 10212 H1 TIP3 1301 -17.720 -8.700 -24.273 1.00 0.00 WAT +ATOM 10213 H2 TIP3 1301 -18.635 -8.306 -25.390 1.00 0.00 WAT +ATOM 10214 OH2 TIP3 1302 -14.193 -8.706 -43.334 1.00 0.00 WAT +ATOM 10215 H1 TIP3 1302 -15.006 -9.248 -43.254 1.00 0.00 WAT +ATOM 10216 H2 TIP3 1302 -13.550 -9.407 -43.518 1.00 0.00 WAT +ATOM 10217 OH2 TIP3 1303 -11.929 -9.808 -25.940 1.00 0.00 WAT +ATOM 10218 H1 TIP3 1303 -12.337 -10.600 -25.546 1.00 0.00 WAT +ATOM 10219 H2 TIP3 1303 -11.260 -9.565 -25.274 1.00 0.00 WAT +ATOM 10220 OH2 TIP3 1304 -10.228 -8.863 -42.883 1.00 0.00 WAT +ATOM 10221 H1 TIP3 1304 -10.240 -9.750 -42.478 1.00 0.00 WAT +ATOM 10222 H2 TIP3 1304 -9.357 -8.846 -43.284 1.00 0.00 WAT +ATOM 10223 OH2 TIP3 1305 -23.290 -13.416 -25.358 1.00 0.00 WAT +ATOM 10224 H1 TIP3 1305 -23.176 -14.350 -25.599 1.00 0.00 WAT +ATOM 10225 H2 TIP3 1305 -24.048 -13.159 -25.911 1.00 0.00 WAT +ATOM 10226 OH2 TIP3 1306 -18.883 -12.884 -43.059 1.00 0.00 WAT +ATOM 10227 H1 TIP3 1306 -18.783 -13.613 -42.432 1.00 0.00 WAT +ATOM 10228 H2 TIP3 1306 -18.231 -13.106 -43.739 1.00 0.00 WAT +ATOM 10229 OH2 TIP3 1307 -16.512 -13.299 -25.828 1.00 0.00 WAT +ATOM 10230 H1 TIP3 1307 -16.834 -12.973 -26.684 1.00 0.00 WAT +ATOM 10231 H2 TIP3 1307 -16.455 -14.267 -25.971 1.00 0.00 WAT +ATOM 10232 OH2 TIP3 1308 -13.567 -11.875 -43.482 1.00 0.00 WAT +ATOM 10233 H1 TIP3 1308 -13.463 -11.800 -42.514 1.00 0.00 WAT +ATOM 10234 H2 TIP3 1308 -12.964 -12.596 -43.710 1.00 0.00 WAT +ATOM 10235 OH2 TIP3 1309 -11.158 -13.688 -28.439 1.00 0.00 WAT +ATOM 10236 H1 TIP3 1309 -10.376 -13.144 -28.622 1.00 0.00 WAT +ATOM 10237 H2 TIP3 1309 -11.858 -13.014 -28.444 1.00 0.00 WAT +ATOM 10238 OH2 TIP3 1310 -22.307 -16.313 -26.011 1.00 0.00 WAT +ATOM 10239 H1 TIP3 1310 -21.588 -16.970 -25.999 1.00 0.00 WAT +ATOM 10240 H2 TIP3 1310 -22.351 -16.094 -25.063 1.00 0.00 WAT +ATOM 10241 OH2 TIP3 1311 -17.864 -14.990 -40.888 1.00 0.00 WAT +ATOM 10242 H1 TIP3 1311 -18.477 -15.462 -40.303 1.00 0.00 WAT +ATOM 10243 H2 TIP3 1311 -17.516 -15.717 -41.437 1.00 0.00 WAT +ATOM 10244 OH2 TIP3 1312 -18.664 -17.242 -28.604 1.00 0.00 WAT +ATOM 10245 H1 TIP3 1312 -19.162 -16.447 -28.342 1.00 0.00 WAT +ATOM 10246 H2 TIP3 1312 -17.979 -16.865 -29.184 1.00 0.00 WAT +ATOM 10247 OH2 TIP3 1313 -16.679 -16.851 -42.768 1.00 0.00 WAT +ATOM 10248 H1 TIP3 1313 -16.624 -17.158 -43.685 1.00 0.00 WAT +ATOM 10249 H2 TIP3 1313 -15.733 -16.899 -42.511 1.00 0.00 WAT +ATOM 10250 OH2 TIP3 1314 -13.332 -14.518 -25.006 1.00 0.00 WAT +ATOM 10251 H1 TIP3 1314 -12.435 -14.716 -25.312 1.00 0.00 WAT +ATOM 10252 H2 TIP3 1314 -13.594 -15.359 -24.607 1.00 0.00 WAT +ATOM 10253 OH2 TIP3 1315 -18.030 -19.918 -27.422 1.00 0.00 WAT +ATOM 10254 H1 TIP3 1315 -17.982 -20.594 -28.123 1.00 0.00 WAT +ATOM 10255 H2 TIP3 1315 -18.259 -19.122 -27.933 1.00 0.00 WAT +ATOM 10256 OH2 TIP3 1316 -17.714 -21.467 -29.967 1.00 0.00 WAT +ATOM 10257 H1 TIP3 1316 -17.200 -20.949 -30.615 1.00 0.00 WAT +ATOM 10258 H2 TIP3 1316 -18.625 -21.438 -30.326 1.00 0.00 WAT +ATOM 10259 OH2 TIP3 1317 -16.177 -16.025 -29.567 1.00 0.00 WAT +ATOM 10260 H1 TIP3 1317 -15.334 -16.111 -30.037 1.00 0.00 WAT +ATOM 10261 H2 TIP3 1317 -16.471 -15.143 -29.868 1.00 0.00 WAT +ATOM 10262 OH2 TIP3 1318 -11.592 -18.078 -24.794 1.00 0.00 WAT +ATOM 10263 H1 TIP3 1318 -11.373 -19.009 -24.637 1.00 0.00 WAT +ATOM 10264 H2 TIP3 1318 -10.708 -17.682 -24.857 1.00 0.00 WAT +ATOM 10265 OH2 TIP3 1319 -10.614 -15.289 -26.283 1.00 0.00 WAT +ATOM 10266 H1 TIP3 1319 -10.964 -14.683 -26.969 1.00 0.00 WAT +ATOM 10267 H2 TIP3 1319 -9.722 -15.448 -26.649 1.00 0.00 WAT +ATOM 10268 OH2 TIP3 1320 -19.846 -18.069 -25.654 1.00 0.00 WAT +ATOM 10269 H1 TIP3 1320 -20.386 -18.878 -25.606 1.00 0.00 WAT +ATOM 10270 H2 TIP3 1320 -19.034 -18.402 -26.064 1.00 0.00 WAT +ATOM 10271 OH2 TIP3 1321 -16.987 -24.137 -29.618 1.00 0.00 WAT +ATOM 10272 H1 TIP3 1321 -17.171 -23.185 -29.773 1.00 0.00 WAT +ATOM 10273 H2 TIP3 1321 -17.693 -24.556 -30.147 1.00 0.00 WAT +ATOM 10274 OH2 TIP3 1322 -15.730 -19.567 -25.819 1.00 0.00 WAT +ATOM 10275 H1 TIP3 1322 -16.100 -19.785 -24.944 1.00 0.00 WAT +ATOM 10276 H2 TIP3 1322 -16.517 -19.763 -26.371 1.00 0.00 WAT +ATOM 10277 OH2 TIP3 1323 -13.190 -20.520 -26.963 1.00 0.00 WAT +ATOM 10278 H1 TIP3 1323 -14.076 -20.468 -26.557 1.00 0.00 WAT +ATOM 10279 H2 TIP3 1323 -12.740 -21.153 -26.373 1.00 0.00 WAT +ATOM 10280 OH2 TIP3 1324 -11.301 -22.039 -25.197 1.00 0.00 WAT +ATOM 10281 H1 TIP3 1324 -11.514 -22.983 -25.056 1.00 0.00 WAT +ATOM 10282 H2 TIP3 1324 -11.543 -21.622 -24.350 1.00 0.00 WAT +ATOM 10283 OH2 TIP3 1325 -21.168 -20.631 -25.792 1.00 0.00 WAT +ATOM 10284 H1 TIP3 1325 -21.262 -21.346 -26.441 1.00 0.00 WAT +ATOM 10285 H2 TIP3 1325 -21.389 -21.094 -24.961 1.00 0.00 WAT +ATOM 10286 OH2 TIP3 1326 -17.144 -24.642 -26.798 1.00 0.00 WAT +ATOM 10287 H1 TIP3 1326 -16.566 -25.420 -26.745 1.00 0.00 WAT +ATOM 10288 H2 TIP3 1326 -17.177 -24.499 -27.764 1.00 0.00 WAT +ATOM 10289 OH2 TIP3 1327 -16.191 -22.763 -24.965 1.00 0.00 WAT +ATOM 10290 H1 TIP3 1327 -16.509 -23.373 -25.663 1.00 0.00 WAT +ATOM 10291 H2 TIP3 1327 -16.907 -22.113 -24.914 1.00 0.00 WAT +ATOM 10292 OH2 TIP3 1328 -17.079 -5.744 -41.725 1.00 0.00 WAT +ATOM 10293 H1 TIP3 1328 -16.129 -5.593 -41.606 1.00 0.00 WAT +ATOM 10294 H2 TIP3 1328 -17.318 -5.124 -42.431 1.00 0.00 WAT +ATOM 10295 OH2 TIP3 1329 -23.241 -11.678 -41.973 1.00 0.00 WAT +ATOM 10296 H1 TIP3 1329 -22.339 -11.310 -41.971 1.00 0.00 WAT +ATOM 10297 H2 TIP3 1329 -23.246 -12.224 -42.773 1.00 0.00 WAT +ATOM 10298 OH2 TIP3 1330 -24.173 -6.178 -37.223 1.00 0.00 WAT +ATOM 10299 H1 TIP3 1330 -24.924 -6.513 -37.754 1.00 0.00 WAT +ATOM 10300 H2 TIP3 1330 -24.145 -6.830 -36.494 1.00 0.00 WAT +ATOM 10301 OH2 TIP3 1331 -23.826 -8.137 -35.208 1.00 0.00 WAT +ATOM 10302 H1 TIP3 1331 -24.133 -9.001 -34.888 1.00 0.00 WAT +ATOM 10303 H2 TIP3 1331 -23.518 -7.761 -34.368 1.00 0.00 WAT +ATOM 10304 OH2 TIP3 1332 -6.297 -6.851 -32.198 1.00 0.00 WAT +ATOM 10305 H1 TIP3 1332 -6.150 -6.877 -31.239 1.00 0.00 WAT +ATOM 10306 H2 TIP3 1332 -5.426 -6.577 -32.515 1.00 0.00 WAT +ATOM 10307 OH2 TIP3 1333 -6.406 -7.424 -29.322 1.00 0.00 WAT +ATOM 10308 H1 TIP3 1333 -6.920 -8.177 -29.668 1.00 0.00 WAT +ATOM 10309 H2 TIP3 1333 -5.843 -7.884 -28.681 1.00 0.00 WAT +ATOM 10310 OH2 TIP3 1334 -8.397 -11.979 -25.021 1.00 0.00 WAT +ATOM 10311 H1 TIP3 1334 -9.282 -11.903 -24.624 1.00 0.00 WAT +ATOM 10312 H2 TIP3 1334 -7.943 -11.185 -24.694 1.00 0.00 WAT +ATOM 10313 OH2 TIP3 1335 -7.003 -13.146 -39.304 1.00 0.00 WAT +ATOM 10314 H1 TIP3 1335 -6.099 -12.806 -39.158 1.00 0.00 WAT +ATOM 10315 H2 TIP3 1335 -7.058 -13.787 -38.570 1.00 0.00 WAT +ATOM 10316 OH2 TIP3 1336 -6.554 -15.142 -37.321 1.00 0.00 WAT +ATOM 10317 H1 TIP3 1336 -7.217 -15.706 -36.876 1.00 0.00 WAT +ATOM 10318 H2 TIP3 1336 -5.865 -15.021 -36.638 1.00 0.00 WAT +ATOM 10319 OH2 TIP3 1337 -6.822 -12.634 -32.343 1.00 0.00 WAT +ATOM 10320 H1 TIP3 1337 -6.195 -13.125 -32.897 1.00 0.00 WAT +ATOM 10321 H2 TIP3 1337 -6.682 -11.719 -32.641 1.00 0.00 WAT +ATOM 10322 OH2 TIP3 1338 -8.101 -9.711 -30.103 1.00 0.00 WAT +ATOM 10323 H1 TIP3 1338 -8.829 -9.311 -29.593 1.00 0.00 WAT +ATOM 10324 H2 TIP3 1338 -8.571 -10.083 -30.874 1.00 0.00 WAT +ATOM 10325 OH2 TIP3 1339 -6.264 -15.482 -41.077 1.00 0.00 WAT +ATOM 10326 H1 TIP3 1339 -6.901 -15.200 -41.750 1.00 0.00 WAT +ATOM 10327 H2 TIP3 1339 -6.447 -14.830 -40.381 1.00 0.00 WAT +ATOM 10328 OH2 TIP3 1340 -8.065 -18.099 -42.168 1.00 0.00 WAT +ATOM 10329 H1 TIP3 1340 -7.744 -17.361 -42.710 1.00 0.00 WAT +ATOM 10330 H2 TIP3 1340 -7.647 -18.853 -42.595 1.00 0.00 WAT +ATOM 10331 OH2 TIP3 1341 -8.621 -17.004 -36.505 1.00 0.00 WAT +ATOM 10332 H1 TIP3 1341 -8.700 -17.959 -36.659 1.00 0.00 WAT +ATOM 10333 H2 TIP3 1341 -8.997 -16.909 -35.606 1.00 0.00 WAT +ATOM 10334 OH2 TIP3 1342 -23.758 -14.801 -32.780 1.00 0.00 WAT +ATOM 10335 H1 TIP3 1342 -23.508 -14.751 -33.718 1.00 0.00 WAT +ATOM 10336 H2 TIP3 1342 -22.892 -15.029 -32.380 1.00 0.00 WAT +ATOM 10337 OH2 TIP3 1343 -8.005 -15.070 -27.369 1.00 0.00 WAT +ATOM 10338 H1 TIP3 1343 -7.273 -15.689 -27.185 1.00 0.00 WAT +ATOM 10339 H2 TIP3 1343 -7.539 -14.242 -27.546 1.00 0.00 WAT +ATOM 10340 OH2 TIP3 1344 -6.451 -16.961 -26.136 1.00 0.00 WAT +ATOM 10341 H1 TIP3 1344 -7.239 -17.504 -26.355 1.00 0.00 WAT +ATOM 10342 H2 TIP3 1344 -5.744 -17.632 -26.160 1.00 0.00 WAT +ATOM 10343 OH2 TIP3 1345 -8.806 -21.341 -43.402 1.00 0.00 WAT +ATOM 10344 H1 TIP3 1345 -8.232 -21.551 -42.657 1.00 0.00 WAT +ATOM 10345 H2 TIP3 1345 -9.689 -21.631 -43.123 1.00 0.00 WAT +ATOM 10346 OH2 TIP3 1346 -8.819 -19.464 -38.369 1.00 0.00 WAT +ATOM 10347 H1 TIP3 1346 -8.561 -20.411 -38.286 1.00 0.00 WAT +ATOM 10348 H2 TIP3 1346 -7.996 -19.090 -38.724 1.00 0.00 WAT +ATOM 10349 OH2 TIP3 1347 -8.508 -18.892 -32.888 1.00 0.00 WAT +ATOM 10350 H1 TIP3 1347 -7.535 -18.784 -32.910 1.00 0.00 WAT +ATOM 10351 H2 TIP3 1347 -8.657 -18.865 -31.927 1.00 0.00 WAT +ATOM 10352 OH2 TIP3 1348 -8.345 -18.199 -30.074 1.00 0.00 WAT +ATOM 10353 H1 TIP3 1348 -9.197 -17.813 -29.797 1.00 0.00 WAT +ATOM 10354 H2 TIP3 1348 -7.820 -17.401 -30.275 1.00 0.00 WAT +ATOM 10355 OH2 TIP3 1349 -23.841 -19.414 -26.420 1.00 0.00 WAT +ATOM 10356 H1 TIP3 1349 -22.909 -19.680 -26.334 1.00 0.00 WAT +ATOM 10357 H2 TIP3 1349 -24.288 -20.277 -26.349 1.00 0.00 WAT +ATOM 10358 OH2 TIP3 1350 -5.792 -24.053 -24.779 1.00 0.00 WAT +ATOM 10359 H1 TIP3 1350 -5.365 -24.734 -25.332 1.00 0.00 WAT +ATOM 10360 H2 TIP3 1350 -5.745 -23.267 -25.359 1.00 0.00 WAT +ATOM 10361 OH2 TIP3 1351 -8.308 -22.195 -38.272 1.00 0.00 WAT +ATOM 10362 H1 TIP3 1351 -8.179 -22.593 -37.395 1.00 0.00 WAT +ATOM 10363 H2 TIP3 1351 -9.027 -22.757 -38.629 1.00 0.00 WAT +ATOM 10364 OH2 TIP3 1352 -23.093 -21.088 -33.581 1.00 0.00 WAT +ATOM 10365 H1 TIP3 1352 -22.641 -21.948 -33.517 1.00 0.00 WAT +ATOM 10366 H2 TIP3 1352 -22.394 -20.494 -33.246 1.00 0.00 WAT +ATOM 10367 OH2 TIP3 1353 -24.556 -18.368 -32.547 1.00 0.00 WAT +ATOM 10368 H1 TIP3 1353 -23.957 -18.479 -33.302 1.00 0.00 WAT +ATOM 10369 H2 TIP3 1353 -24.158 -17.603 -32.112 1.00 0.00 WAT +ATOM 10370 OH2 TIP3 1354 -6.416 -22.004 -26.525 1.00 0.00 WAT +ATOM 10371 H1 TIP3 1354 -7.286 -21.565 -26.494 1.00 0.00 WAT +ATOM 10372 H2 TIP3 1354 -6.531 -22.545 -27.327 1.00 0.00 WAT +ATOM 10373 OH2 TIP3 1355 -6.272 -21.804 -41.767 1.00 0.00 WAT +ATOM 10374 H1 TIP3 1355 -6.047 -22.557 -42.325 1.00 0.00 WAT +ATOM 10375 H2 TIP3 1355 -5.419 -21.343 -41.700 1.00 0.00 WAT +ATOM 10376 OH2 TIP3 1356 -24.037 -22.040 -38.497 1.00 0.00 WAT +ATOM 10377 H1 TIP3 1356 -24.982 -22.044 -38.722 1.00 0.00 WAT +ATOM 10378 H2 TIP3 1356 -23.645 -21.478 -39.194 1.00 0.00 WAT +ATOM 10379 OH2 TIP3 1357 -9.433 -6.827 -36.423 1.00 0.00 WAT +ATOM 10380 H1 TIP3 1357 -8.920 -7.105 -37.197 1.00 0.00 WAT +ATOM 10381 H2 TIP3 1357 -8.752 -6.452 -35.851 1.00 0.00 WAT +ATOM 10382 OH2 TIP3 1358 -23.996 -23.195 -30.350 1.00 0.00 WAT +ATOM 10383 H1 TIP3 1358 -24.687 -23.477 -29.734 1.00 0.00 WAT +ATOM 10384 H2 TIP3 1358 -24.514 -22.696 -31.003 1.00 0.00 WAT +ATOM 10385 OH2 TIP3 1359 -21.988 -10.159 -25.663 1.00 0.00 WAT +ATOM 10386 H1 TIP3 1359 -22.718 -10.091 -26.291 1.00 0.00 WAT +ATOM 10387 H2 TIP3 1359 -22.430 -10.114 -24.805 1.00 0.00 WAT +ATOM 10388 OH2 TIP3 1360 -19.176 -9.136 -30.015 1.00 0.00 WAT +ATOM 10389 H1 TIP3 1360 -19.475 -8.269 -30.341 1.00 0.00 WAT +ATOM 10390 H2 TIP3 1360 -18.214 -9.043 -30.171 1.00 0.00 WAT +ATOM 10391 OH2 TIP3 1361 -14.655 -7.830 -26.987 1.00 0.00 WAT +ATOM 10392 H1 TIP3 1361 -14.526 -7.981 -26.036 1.00 0.00 WAT +ATOM 10393 H2 TIP3 1361 -13.827 -7.367 -27.226 1.00 0.00 WAT +ATOM 10394 OH2 TIP3 1362 -12.363 -6.360 -27.745 1.00 0.00 WAT +ATOM 10395 H1 TIP3 1362 -11.679 -7.016 -27.945 1.00 0.00 WAT +ATOM 10396 H2 TIP3 1362 -12.069 -6.046 -26.866 1.00 0.00 WAT +ATOM 10397 OH2 TIP3 1363 -7.536 -23.763 -28.555 1.00 0.00 WAT +ATOM 10398 H1 TIP3 1363 -8.341 -23.562 -29.062 1.00 0.00 WAT +ATOM 10399 H2 TIP3 1363 -7.323 -24.661 -28.884 1.00 0.00 WAT +ATOM 10400 OH2 TIP3 1364 -21.820 -6.187 -29.670 1.00 0.00 WAT +ATOM 10401 H1 TIP3 1364 -22.421 -5.541 -30.087 1.00 0.00 WAT +ATOM 10402 H2 TIP3 1364 -22.091 -6.104 -28.745 1.00 0.00 WAT +ATOM 10403 OH2 TIP3 1365 -19.309 -6.400 -31.117 1.00 0.00 WAT +ATOM 10404 H1 TIP3 1365 -20.159 -6.210 -30.672 1.00 0.00 WAT +ATOM 10405 H2 TIP3 1365 -19.273 -5.700 -31.793 1.00 0.00 WAT +ATOM 10406 OH2 TIP3 1366 -14.556 -6.399 -31.557 1.00 0.00 WAT +ATOM 10407 H1 TIP3 1366 -14.939 -5.936 -32.322 1.00 0.00 WAT +ATOM 10408 H2 TIP3 1366 -14.476 -5.670 -30.911 1.00 0.00 WAT +ATOM 10409 OH2 TIP3 1367 -12.221 -7.686 -30.646 1.00 0.00 WAT +ATOM 10410 H1 TIP3 1367 -13.070 -7.320 -30.958 1.00 0.00 WAT +ATOM 10411 H2 TIP3 1367 -11.664 -6.895 -30.632 1.00 0.00 WAT +ATOM 10412 OH2 TIP3 1368 -9.694 -5.953 -30.442 1.00 0.00 WAT +ATOM 10413 H1 TIP3 1368 -9.738 -4.999 -30.649 1.00 0.00 WAT +ATOM 10414 H2 TIP3 1368 -9.410 -6.310 -31.299 1.00 0.00 WAT +ATOM 10415 OH2 TIP3 1369 -22.207 -7.381 -32.727 1.00 0.00 WAT +ATOM 10416 H1 TIP3 1369 -22.228 -7.844 -31.862 1.00 0.00 WAT +ATOM 10417 H2 TIP3 1369 -21.438 -7.814 -33.147 1.00 0.00 WAT +ATOM 10418 OH2 TIP3 1370 -20.186 -8.624 -34.296 1.00 0.00 WAT +ATOM 10419 H1 TIP3 1370 -20.347 -9.549 -34.014 1.00 0.00 WAT +ATOM 10420 H2 TIP3 1370 -19.281 -8.469 -33.960 1.00 0.00 WAT +ATOM 10421 OH2 TIP3 1371 -17.440 -8.164 -33.399 1.00 0.00 WAT +ATOM 10422 H1 TIP3 1371 -17.252 -9.098 -33.603 1.00 0.00 WAT +ATOM 10423 H2 TIP3 1371 -17.369 -8.181 -32.431 1.00 0.00 WAT +ATOM 10424 OH2 TIP3 1372 -14.111 -22.267 -34.090 1.00 0.00 WAT +ATOM 10425 H1 TIP3 1372 -14.801 -22.942 -33.941 1.00 0.00 WAT +ATOM 10426 H2 TIP3 1372 -13.516 -22.726 -34.703 1.00 0.00 WAT +ATOM 10427 OH2 TIP3 1373 -9.162 -24.249 -33.625 1.00 0.00 WAT +ATOM 10428 H1 TIP3 1373 -8.407 -23.800 -34.045 1.00 0.00 WAT +ATOM 10429 H2 TIP3 1373 -9.911 -23.955 -34.171 1.00 0.00 WAT +ATOM 10430 OH2 TIP3 1374 -7.074 -23.154 -35.749 1.00 0.00 WAT +ATOM 10431 H1 TIP3 1374 -6.366 -23.551 -36.285 1.00 0.00 WAT +ATOM 10432 H2 TIP3 1374 -6.767 -22.229 -35.668 1.00 0.00 WAT +ATOM 10433 OH2 TIP3 1375 -21.759 -23.551 -36.524 1.00 0.00 WAT +ATOM 10434 H1 TIP3 1375 -22.619 -23.689 -36.969 1.00 0.00 WAT +ATOM 10435 H2 TIP3 1375 -21.332 -24.414 -36.681 1.00 0.00 WAT +ATOM 10436 OH2 TIP3 1376 -23.037 -23.975 -40.842 1.00 0.00 WAT +ATOM 10437 H1 TIP3 1376 -22.364 -23.391 -41.260 1.00 0.00 WAT +ATOM 10438 H2 TIP3 1376 -23.276 -23.460 -40.057 1.00 0.00 WAT +ATOM 10439 OH2 TIP3 1377 -17.290 -23.712 -36.654 1.00 0.00 WAT +ATOM 10440 H1 TIP3 1377 -16.371 -23.428 -36.791 1.00 0.00 WAT +ATOM 10441 H2 TIP3 1377 -17.312 -23.823 -35.697 1.00 0.00 WAT +ATOM 10442 OH2 TIP3 1378 -11.668 -23.690 -35.235 1.00 0.00 WAT +ATOM 10443 H1 TIP3 1378 -11.448 -23.827 -36.168 1.00 0.00 WAT +ATOM 10444 H2 TIP3 1378 -12.080 -24.543 -35.000 1.00 0.00 WAT +ATOM 10445 OH2 TIP3 1379 -10.657 -23.649 -39.141 1.00 0.00 WAT +ATOM 10446 H1 TIP3 1379 -11.446 -23.192 -39.476 1.00 0.00 WAT +ATOM 10447 H2 TIP3 1379 -10.924 -24.576 -39.282 1.00 0.00 WAT +ATOM 10448 OH2 TIP3 1380 -22.879 -8.097 -39.672 1.00 0.00 WAT +ATOM 10449 H1 TIP3 1380 -23.611 -8.110 -40.312 1.00 0.00 WAT +ATOM 10450 H2 TIP3 1380 -22.893 -7.172 -39.399 1.00 0.00 WAT +ATOM 10451 OH2 TIP3 1381 -21.291 -22.247 -42.228 1.00 0.00 WAT +ATOM 10452 H1 TIP3 1381 -20.801 -22.841 -42.810 1.00 0.00 WAT +ATOM 10453 H2 TIP3 1381 -20.567 -21.815 -41.742 1.00 0.00 WAT +ATOM 10454 OH2 TIP3 1382 -16.161 -22.074 -39.590 1.00 0.00 WAT +ATOM 10455 H1 TIP3 1382 -15.783 -22.631 -38.894 1.00 0.00 WAT +ATOM 10456 H2 TIP3 1382 -15.920 -21.197 -39.256 1.00 0.00 WAT +ATOM 10457 OH2 TIP3 1383 -14.122 -6.465 -41.461 1.00 0.00 WAT +ATOM 10458 H1 TIP3 1383 -13.149 -6.337 -41.490 1.00 0.00 WAT +ATOM 10459 H2 TIP3 1383 -14.228 -7.074 -42.214 1.00 0.00 WAT +ATOM 10460 OH2 TIP3 1384 -7.475 -7.272 -38.855 1.00 0.00 WAT +ATOM 10461 H1 TIP3 1384 -7.791 -8.106 -39.259 1.00 0.00 WAT +ATOM 10462 H2 TIP3 1384 -7.723 -6.612 -39.533 1.00 0.00 WAT +ATOM 10463 OH2 TIP3 1385 -21.934 -23.321 -27.025 1.00 0.00 WAT +ATOM 10464 H1 TIP3 1385 -22.365 -24.112 -26.654 1.00 0.00 WAT +ATOM 10465 H2 TIP3 1385 -21.023 -23.451 -26.714 1.00 0.00 WAT +ATOM 10466 OH2 TIP3 1386 -19.577 -23.933 -25.273 1.00 0.00 WAT +ATOM 10467 H1 TIP3 1386 -18.761 -24.299 -25.668 1.00 0.00 WAT +ATOM 10468 H2 TIP3 1386 -19.935 -24.720 -24.828 1.00 0.00 WAT +ATOM 10469 OH2 TIP3 1387 -20.879 -7.023 -42.321 1.00 0.00 WAT +ATOM 10470 H1 TIP3 1387 -21.303 -6.790 -41.486 1.00 0.00 WAT +ATOM 10471 H2 TIP3 1387 -20.250 -7.706 -42.069 1.00 0.00 WAT +ATOM 10472 OH2 TIP3 1388 -11.461 -24.837 -25.086 1.00 0.00 WAT +ATOM 10473 H1 TIP3 1388 -11.432 -25.245 -24.197 1.00 0.00 WAT +ATOM 10474 H2 TIP3 1388 -10.521 -24.866 -25.341 1.00 0.00 WAT +ATOM 10475 OH2 TIP3 1389 -8.080 -8.487 -26.403 1.00 0.00 WAT +ATOM 10476 H1 TIP3 1389 -8.822 -8.680 -27.004 1.00 0.00 WAT +ATOM 10477 H2 TIP3 1389 -8.258 -7.550 -26.193 1.00 0.00 WAT +ATOM 10478 OH2 TIP3 1390 6.109 -14.816 -36.272 1.00 0.00 WAT +ATOM 10479 H1 TIP3 1390 6.095 -13.851 -36.174 1.00 0.00 WAT +ATOM 10480 H2 TIP3 1390 5.364 -14.958 -36.875 1.00 0.00 WAT +ATOM 10481 OH2 TIP3 1391 4.960 -15.363 -33.194 1.00 0.00 WAT +ATOM 10482 H1 TIP3 1391 4.951 -15.932 -32.407 1.00 0.00 WAT +ATOM 10483 H2 TIP3 1391 4.697 -15.984 -33.889 1.00 0.00 WAT +ATOM 10484 OH2 TIP3 1392 -2.563 -15.773 -31.518 1.00 0.00 WAT +ATOM 10485 H1 TIP3 1392 -2.577 -16.523 -30.894 1.00 0.00 WAT +ATOM 10486 H2 TIP3 1392 -1.855 -15.232 -31.137 1.00 0.00 WAT +ATOM 10487 OH2 TIP3 1393 8.656 -12.623 -34.881 1.00 0.00 WAT +ATOM 10488 H1 TIP3 1393 8.268 -13.339 -34.361 1.00 0.00 WAT +ATOM 10489 H2 TIP3 1393 8.922 -12.006 -34.185 1.00 0.00 WAT +ATOM 10490 OH2 TIP3 1394 -1.910 -11.136 -33.053 1.00 0.00 WAT +ATOM 10491 H1 TIP3 1394 -2.145 -12.058 -33.292 1.00 0.00 WAT +ATOM 10492 H2 TIP3 1394 -0.987 -11.267 -32.788 1.00 0.00 WAT +ATOM 10493 OH2 TIP3 1395 -4.903 -17.744 -37.638 1.00 0.00 WAT +ATOM 10494 H1 TIP3 1395 -5.311 -16.872 -37.521 1.00 0.00 WAT +ATOM 10495 H2 TIP3 1395 -5.615 -18.236 -38.069 1.00 0.00 WAT +ATOM 10496 OH2 TIP3 1396 -4.108 -15.290 -35.794 1.00 0.00 WAT +ATOM 10497 H1 TIP3 1396 -3.959 -16.117 -35.297 1.00 0.00 WAT +ATOM 10498 H2 TIP3 1396 -3.261 -15.185 -36.249 1.00 0.00 WAT +ATOM 10499 OH2 TIP3 1397 5.712 -7.258 -34.319 1.00 0.00 WAT +ATOM 10500 H1 TIP3 1397 6.287 -7.985 -34.631 1.00 0.00 WAT +ATOM 10501 H2 TIP3 1397 5.428 -7.587 -33.457 1.00 0.00 WAT +ATOM 10502 OH2 TIP3 1398 3.449 -12.855 -32.640 1.00 0.00 WAT +ATOM 10503 H1 TIP3 1398 3.774 -13.579 -33.205 1.00 0.00 WAT +ATOM 10504 H2 TIP3 1398 4.258 -12.705 -32.113 1.00 0.00 WAT +ATOM 10505 OH2 TIP3 1399 12.073 -21.330 -32.053 1.00 0.00 WAT +ATOM 10506 H1 TIP3 1399 12.272 -20.819 -31.240 1.00 0.00 WAT +ATOM 10507 H2 TIP3 1399 12.746 -20.986 -32.663 1.00 0.00 WAT +ATOM 10508 OH2 TIP3 1400 6.748 -18.517 -32.134 1.00 0.00 WAT +ATOM 10509 H1 TIP3 1400 6.883 -19.477 -32.059 1.00 0.00 WAT +ATOM 10510 H2 TIP3 1400 6.653 -18.411 -33.094 1.00 0.00 WAT +ATOM 10511 OH2 TIP3 1401 -0.284 -20.519 -35.047 1.00 0.00 WAT +ATOM 10512 H1 TIP3 1401 -0.131 -19.662 -35.492 1.00 0.00 WAT +ATOM 10513 H2 TIP3 1401 -0.640 -21.032 -35.796 1.00 0.00 WAT +ATOM 10514 OH2 TIP3 1402 7.544 -20.359 -36.718 1.00 0.00 WAT +ATOM 10515 H1 TIP3 1402 8.153 -20.787 -36.081 1.00 0.00 WAT +ATOM 10516 H2 TIP3 1402 8.170 -19.914 -37.308 1.00 0.00 WAT +ATOM 10517 OH2 TIP3 1403 -3.594 -17.786 -34.538 1.00 0.00 WAT +ATOM 10518 H1 TIP3 1403 -2.959 -18.249 -33.968 1.00 0.00 WAT +ATOM 10519 H2 TIP3 1403 -3.496 -18.276 -35.374 1.00 0.00 WAT +ATOM 10520 OH2 TIP3 1404 1.783 -16.394 -35.079 1.00 0.00 WAT +ATOM 10521 H1 TIP3 1404 2.497 -16.938 -34.692 1.00 0.00 WAT +ATOM 10522 H2 TIP3 1404 1.291 -17.064 -35.588 1.00 0.00 WAT +ATOM 10523 OH2 TIP3 1405 12.546 -20.246 -29.573 1.00 0.00 WAT +ATOM 10524 H1 TIP3 1405 12.163 -19.358 -29.682 1.00 0.00 WAT +ATOM 10525 H2 TIP3 1405 12.943 -20.195 -28.695 1.00 0.00 WAT +ATOM 10526 OH2 TIP3 1406 -1.487 -21.736 -30.891 1.00 0.00 WAT +ATOM 10527 H1 TIP3 1406 -1.884 -21.220 -31.608 1.00 0.00 WAT +ATOM 10528 H2 TIP3 1406 -2.138 -21.584 -30.176 1.00 0.00 WAT +ATOM 10529 OH2 TIP3 1407 6.031 -11.946 -37.500 1.00 0.00 WAT +ATOM 10530 H1 TIP3 1407 5.701 -12.217 -38.360 1.00 0.00 WAT +ATOM 10531 H2 TIP3 1407 5.547 -11.119 -37.333 1.00 0.00 WAT +ATOM 10532 OH2 TIP3 1408 1.446 -13.837 -30.771 1.00 0.00 WAT +ATOM 10533 H1 TIP3 1408 0.710 -13.240 -30.518 1.00 0.00 WAT +ATOM 10534 H2 TIP3 1408 2.073 -13.223 -31.194 1.00 0.00 WAT +ATOM 10535 OH2 TIP3 1409 9.447 -21.120 -34.691 1.00 0.00 WAT +ATOM 10536 H1 TIP3 1409 8.986 -21.682 -34.054 1.00 0.00 WAT +ATOM 10537 H2 TIP3 1409 9.914 -20.501 -34.103 1.00 0.00 WAT +ATOM 10538 OH2 TIP3 1410 -1.883 -19.679 -32.946 1.00 0.00 WAT +ATOM 10539 H1 TIP3 1410 -1.237 -19.107 -32.477 1.00 0.00 WAT +ATOM 10540 H2 TIP3 1410 -1.307 -20.041 -33.655 1.00 0.00 WAT +ATOM 10541 OH2 TIP3 1411 -0.568 -11.954 -30.074 1.00 0.00 WAT +ATOM 10542 H1 TIP3 1411 -0.588 -11.007 -30.305 1.00 0.00 WAT +ATOM 10543 H2 TIP3 1411 -1.416 -12.037 -29.601 1.00 0.00 WAT +ATOM 10544 OH2 TIP3 1412 -4.259 -12.256 -39.194 1.00 0.00 WAT +ATOM 10545 H1 TIP3 1412 -4.458 -11.795 -40.028 1.00 0.00 WAT +ATOM 10546 H2 TIP3 1412 -4.088 -11.529 -38.560 1.00 0.00 WAT +ATOM 10547 OH2 TIP3 1413 9.211 -10.819 -32.380 1.00 0.00 WAT +ATOM 10548 H1 TIP3 1413 8.240 -10.708 -32.350 1.00 0.00 WAT +ATOM 10549 H2 TIP3 1413 9.476 -9.957 -32.749 1.00 0.00 WAT +ATOM 10550 OH2 TIP3 1414 9.512 -21.984 -30.871 1.00 0.00 WAT +ATOM 10551 H1 TIP3 1414 8.756 -21.563 -31.319 1.00 0.00 WAT +ATOM 10552 H2 TIP3 1414 10.256 -21.753 -31.459 1.00 0.00 WAT +ATOM 10553 OH2 TIP3 1415 2.654 -24.225 -33.820 1.00 0.00 WAT +ATOM 10554 H1 TIP3 1415 2.437 -25.174 -33.851 1.00 0.00 WAT +ATOM 10555 H2 TIP3 1415 1.838 -23.847 -33.429 1.00 0.00 WAT +ATOM 10556 OH2 TIP3 1416 7.499 -8.879 -35.814 1.00 0.00 WAT +ATOM 10557 H1 TIP3 1416 7.972 -9.674 -36.131 1.00 0.00 WAT +ATOM 10558 H2 TIP3 1416 8.181 -8.192 -35.934 1.00 0.00 WAT +ATOM 10559 OH2 TIP3 1417 8.951 -11.003 -37.202 1.00 0.00 WAT +ATOM 10560 H1 TIP3 1417 8.446 -11.475 -37.880 1.00 0.00 WAT +ATOM 10561 H2 TIP3 1417 8.905 -11.641 -36.464 1.00 0.00 WAT +ATOM 10562 OH2 TIP3 1418 10.502 -12.221 -28.707 1.00 0.00 WAT +ATOM 10563 H1 TIP3 1418 10.387 -12.847 -29.446 1.00 0.00 WAT +ATOM 10564 H2 TIP3 1418 10.609 -11.373 -29.177 1.00 0.00 WAT +ATOM 10565 OH2 TIP3 1419 4.809 -15.253 -39.015 1.00 0.00 WAT +ATOM 10566 H1 TIP3 1419 4.134 -14.707 -39.453 1.00 0.00 WAT +ATOM 10567 H2 TIP3 1419 5.502 -15.299 -39.695 1.00 0.00 WAT +ATOM 10568 OH2 TIP3 1420 5.264 -17.576 -41.552 1.00 0.00 WAT +ATOM 10569 H1 TIP3 1420 5.911 -16.877 -41.375 1.00 0.00 WAT +ATOM 10570 H2 TIP3 1420 5.210 -17.508 -42.521 1.00 0.00 WAT +ATOM 10571 OH2 TIP3 1421 12.282 -16.006 -30.777 1.00 0.00 WAT +ATOM 10572 H1 TIP3 1421 11.552 -15.364 -30.690 1.00 0.00 WAT +ATOM 10573 H2 TIP3 1421 12.760 -15.648 -31.548 1.00 0.00 WAT +ATOM 10574 OH2 TIP3 1422 8.295 -15.257 -37.927 1.00 0.00 WAT +ATOM 10575 H1 TIP3 1422 7.578 -15.070 -37.280 1.00 0.00 WAT +ATOM 10576 H2 TIP3 1422 8.840 -15.880 -37.416 1.00 0.00 WAT +ATOM 10577 OH2 TIP3 1423 8.119 -16.728 -29.088 1.00 0.00 WAT +ATOM 10578 H1 TIP3 1423 8.141 -15.903 -28.577 1.00 0.00 WAT +ATOM 10579 H2 TIP3 1423 7.458 -16.469 -29.756 1.00 0.00 WAT +ATOM 10580 OH2 TIP3 1424 -0.140 -14.521 -36.157 1.00 0.00 WAT +ATOM 10581 H1 TIP3 1424 -0.441 -14.962 -36.976 1.00 0.00 WAT +ATOM 10582 H2 TIP3 1424 0.516 -15.156 -35.817 1.00 0.00 WAT +ATOM 10583 OH2 TIP3 1425 1.243 -11.099 -33.432 1.00 0.00 WAT +ATOM 10584 H1 TIP3 1425 1.130 -11.520 -34.295 1.00 0.00 WAT +ATOM 10585 H2 TIP3 1425 2.025 -11.572 -33.086 1.00 0.00 WAT +ATOM 10586 OH2 TIP3 1426 0.447 -15.704 -32.668 1.00 0.00 WAT +ATOM 10587 H1 TIP3 1426 1.026 -15.680 -33.455 1.00 0.00 WAT +ATOM 10588 H2 TIP3 1426 0.855 -15.040 -32.080 1.00 0.00 WAT +ATOM 10589 OH2 TIP3 1427 6.420 -10.201 -32.088 1.00 0.00 WAT +ATOM 10590 H1 TIP3 1427 6.420 -9.525 -31.389 1.00 0.00 WAT +ATOM 10591 H2 TIP3 1427 6.168 -11.015 -31.618 1.00 0.00 WAT +ATOM 10592 OH2 TIP3 1428 1.300 -11.325 -27.812 1.00 0.00 WAT +ATOM 10593 H1 TIP3 1428 0.782 -10.642 -27.341 1.00 0.00 WAT +ATOM 10594 H2 TIP3 1428 0.666 -11.604 -28.496 1.00 0.00 WAT +ATOM 10595 OH2 TIP3 1429 7.330 -15.781 -40.562 1.00 0.00 WAT +ATOM 10596 H1 TIP3 1429 7.802 -15.549 -39.738 1.00 0.00 WAT +ATOM 10597 H2 TIP3 1429 7.911 -15.393 -41.242 1.00 0.00 WAT +ATOM 10598 OH2 TIP3 1430 -1.802 -14.871 -28.717 1.00 0.00 WAT +ATOM 10599 H1 TIP3 1430 -1.715 -14.439 -27.852 1.00 0.00 WAT +ATOM 10600 H2 TIP3 1430 -2.748 -15.099 -28.741 1.00 0.00 WAT +ATOM 10601 OH2 TIP3 1431 4.677 -9.228 -36.959 1.00 0.00 WAT +ATOM 10602 H1 TIP3 1431 5.175 -8.980 -36.170 1.00 0.00 WAT +ATOM 10603 H2 TIP3 1431 4.202 -8.415 -37.184 1.00 0.00 WAT +ATOM 10604 OH2 TIP3 1432 -0.487 -9.272 -26.881 1.00 0.00 WAT +ATOM 10605 H1 TIP3 1432 -0.619 -9.039 -27.811 1.00 0.00 WAT +ATOM 10606 H2 TIP3 1432 -1.391 -9.375 -26.537 1.00 0.00 WAT +ATOM 10607 OH2 TIP3 1433 10.792 -24.088 -40.581 1.00 0.00 WAT +ATOM 10608 H1 TIP3 1433 9.834 -23.986 -40.434 1.00 0.00 WAT +ATOM 10609 H2 TIP3 1433 11.014 -23.236 -40.982 1.00 0.00 WAT +ATOM 10610 OH2 TIP3 1434 -1.221 -15.769 -38.604 1.00 0.00 WAT +ATOM 10611 H1 TIP3 1434 -1.426 -15.029 -39.201 1.00 0.00 WAT +ATOM 10612 H2 TIP3 1434 -1.872 -16.429 -38.876 1.00 0.00 WAT +ATOM 10613 OH2 TIP3 1435 11.803 -9.836 -42.515 1.00 0.00 WAT +ATOM 10614 H1 TIP3 1435 12.129 -9.051 -42.047 1.00 0.00 WAT +ATOM 10615 H2 TIP3 1435 12.535 -10.470 -42.422 1.00 0.00 WAT +ATOM 10616 OH2 TIP3 1436 -5.150 -13.106 -29.900 1.00 0.00 WAT +ATOM 10617 H1 TIP3 1436 -5.593 -13.119 -30.771 1.00 0.00 WAT +ATOM 10618 H2 TIP3 1436 -5.009 -14.056 -29.730 1.00 0.00 WAT +ATOM 10619 OH2 TIP3 1437 -5.090 -10.158 -32.977 1.00 0.00 WAT +ATOM 10620 H1 TIP3 1437 -4.174 -10.468 -32.919 1.00 0.00 WAT +ATOM 10621 H2 TIP3 1437 -5.143 -9.580 -32.203 1.00 0.00 WAT +ATOM 10622 OH2 TIP3 1438 13.269 -9.568 -27.188 1.00 0.00 WAT +ATOM 10623 H1 TIP3 1438 13.167 -10.521 -27.369 1.00 0.00 WAT +ATOM 10624 H2 TIP3 1438 12.360 -9.336 -26.902 1.00 0.00 WAT +ATOM 10625 OH2 TIP3 1439 3.925 -10.255 -28.389 1.00 0.00 WAT +ATOM 10626 H1 TIP3 1439 4.015 -9.505 -27.766 1.00 0.00 WAT +ATOM 10627 H2 TIP3 1439 3.037 -10.592 -28.158 1.00 0.00 WAT +ATOM 10628 OH2 TIP3 1440 4.211 -6.529 -38.469 1.00 0.00 WAT +ATOM 10629 H1 TIP3 1440 4.247 -6.426 -39.435 1.00 0.00 WAT +ATOM 10630 H2 TIP3 1440 4.297 -5.618 -38.148 1.00 0.00 WAT +ATOM 10631 OH2 TIP3 1441 -1.992 -7.393 -36.798 1.00 0.00 WAT +ATOM 10632 H1 TIP3 1441 -1.791 -7.827 -35.942 1.00 0.00 WAT +ATOM 10633 H2 TIP3 1441 -2.833 -7.816 -37.017 1.00 0.00 WAT +ATOM 10634 OH2 TIP3 1442 7.471 -6.908 -41.351 1.00 0.00 WAT +ATOM 10635 H1 TIP3 1442 7.915 -7.489 -42.007 1.00 0.00 WAT +ATOM 10636 H2 TIP3 1442 7.503 -7.462 -40.554 1.00 0.00 WAT +ATOM 10637 OH2 TIP3 1443 6.962 -7.638 -38.601 1.00 0.00 WAT +ATOM 10638 H1 TIP3 1443 6.022 -7.507 -38.392 1.00 0.00 WAT +ATOM 10639 H2 TIP3 1443 7.185 -8.351 -37.983 1.00 0.00 WAT +ATOM 10640 OH2 TIP3 1444 10.058 -18.215 -26.780 1.00 0.00 WAT +ATOM 10641 H1 TIP3 1444 9.591 -17.818 -27.527 1.00 0.00 WAT +ATOM 10642 H2 TIP3 1444 10.068 -19.160 -27.039 1.00 0.00 WAT +ATOM 10643 OH2 TIP3 1445 -2.977 -11.581 -28.573 1.00 0.00 WAT +ATOM 10644 H1 TIP3 1445 -2.645 -12.101 -27.819 1.00 0.00 WAT +ATOM 10645 H2 TIP3 1445 -3.666 -12.152 -28.958 1.00 0.00 WAT +ATOM 10646 OH2 TIP3 1446 0.236 -23.097 -32.885 1.00 0.00 WAT +ATOM 10647 H1 TIP3 1446 -0.591 -23.146 -33.398 1.00 0.00 WAT +ATOM 10648 H2 TIP3 1446 0.027 -22.350 -32.302 1.00 0.00 WAT +ATOM 10649 OH2 TIP3 1447 4.607 -23.518 -29.252 1.00 0.00 WAT +ATOM 10650 H1 TIP3 1447 5.138 -24.029 -28.610 1.00 0.00 WAT +ATOM 10651 H2 TIP3 1447 3.704 -23.858 -29.111 1.00 0.00 WAT +ATOM 10652 OH2 TIP3 1448 7.708 -19.694 -28.783 1.00 0.00 WAT +ATOM 10653 H1 TIP3 1448 7.163 -19.867 -27.993 1.00 0.00 WAT +ATOM 10654 H2 TIP3 1448 7.687 -18.725 -28.863 1.00 0.00 WAT +ATOM 10655 OH2 TIP3 1449 9.609 -15.026 -42.610 1.00 0.00 WAT +ATOM 10656 H1 TIP3 1449 9.012 -15.149 -43.366 1.00 0.00 WAT +ATOM 10657 H2 TIP3 1449 9.915 -14.125 -42.772 1.00 0.00 WAT +ATOM 10658 OH2 TIP3 1450 4.466 -21.206 -42.167 1.00 0.00 WAT +ATOM 10659 H1 TIP3 1450 3.896 -20.998 -41.420 1.00 0.00 WAT +ATOM 10660 H2 TIP3 1450 3.935 -21.847 -42.651 1.00 0.00 WAT +ATOM 10661 OH2 TIP3 1451 0.078 -18.301 -31.498 1.00 0.00 WAT +ATOM 10662 H1 TIP3 1451 -0.444 -18.167 -30.689 1.00 0.00 WAT +ATOM 10663 H2 TIP3 1451 0.172 -17.386 -31.837 1.00 0.00 WAT +ATOM 10664 OH2 TIP3 1452 0.041 -18.222 -36.603 1.00 0.00 WAT +ATOM 10665 H1 TIP3 1452 -0.912 -18.325 -36.773 1.00 0.00 WAT +ATOM 10666 H2 TIP3 1452 0.400 -18.409 -37.495 1.00 0.00 WAT +ATOM 10667 OH2 TIP3 1453 5.725 -17.672 -37.860 1.00 0.00 WAT +ATOM 10668 H1 TIP3 1453 5.311 -16.857 -38.212 1.00 0.00 WAT +ATOM 10669 H2 TIP3 1453 6.325 -17.905 -38.595 1.00 0.00 WAT +ATOM 10670 OH2 TIP3 1454 4.859 -17.499 -26.517 1.00 0.00 WAT +ATOM 10671 H1 TIP3 1454 4.322 -18.224 -26.137 1.00 0.00 WAT +ATOM 10672 H2 TIP3 1454 5.718 -17.631 -26.080 1.00 0.00 WAT +ATOM 10673 OH2 TIP3 1455 6.495 -18.267 -35.060 1.00 0.00 WAT +ATOM 10674 H1 TIP3 1455 6.224 -17.694 -35.806 1.00 0.00 WAT +ATOM 10675 H2 TIP3 1455 6.710 -19.078 -35.564 1.00 0.00 WAT +ATOM 10676 OH2 TIP3 1456 -2.612 -18.111 -29.621 1.00 0.00 WAT +ATOM 10677 H1 TIP3 1456 -2.227 -17.845 -28.777 1.00 0.00 WAT +ATOM 10678 H2 TIP3 1456 -2.907 -19.017 -29.425 1.00 0.00 WAT +ATOM 10679 OH2 TIP3 1457 1.119 -20.812 -43.167 1.00 0.00 WAT +ATOM 10680 H1 TIP3 1457 0.810 -20.998 -42.260 1.00 0.00 WAT +ATOM 10681 H2 TIP3 1457 0.402 -20.235 -43.489 1.00 0.00 WAT +ATOM 10682 OH2 TIP3 1458 -5.719 -20.664 -36.004 1.00 0.00 WAT +ATOM 10683 H1 TIP3 1458 -5.101 -20.693 -35.250 1.00 0.00 WAT +ATOM 10684 H2 TIP3 1458 -5.210 -21.052 -36.733 1.00 0.00 WAT +ATOM 10685 OH2 TIP3 1459 -4.142 -20.236 -40.384 1.00 0.00 WAT +ATOM 10686 H1 TIP3 1459 -3.578 -19.748 -41.018 1.00 0.00 WAT +ATOM 10687 H2 TIP3 1459 -4.815 -19.565 -40.174 1.00 0.00 WAT +ATOM 10688 OH2 TIP3 1460 5.611 -16.583 -30.570 1.00 0.00 WAT +ATOM 10689 H1 TIP3 1460 6.042 -17.306 -31.082 1.00 0.00 WAT +ATOM 10690 H2 TIP3 1460 5.271 -17.065 -29.804 1.00 0.00 WAT +ATOM 10691 OH2 TIP3 1461 2.808 -20.645 -35.567 1.00 0.00 WAT +ATOM 10692 H1 TIP3 1461 1.864 -20.668 -35.338 1.00 0.00 WAT +ATOM 10693 H2 TIP3 1461 3.224 -20.820 -34.707 1.00 0.00 WAT +ATOM 10694 OH2 TIP3 1462 -2.630 -19.414 -36.889 1.00 0.00 WAT +ATOM 10695 H1 TIP3 1462 -3.441 -19.142 -37.355 1.00 0.00 WAT +ATOM 10696 H2 TIP3 1462 -2.332 -20.195 -37.392 1.00 0.00 WAT +ATOM 10697 OH2 TIP3 1463 0.984 -18.987 -39.214 1.00 0.00 WAT +ATOM 10698 H1 TIP3 1463 1.958 -18.984 -39.167 1.00 0.00 WAT +ATOM 10699 H2 TIP3 1463 0.787 -18.432 -39.987 1.00 0.00 WAT +ATOM 10700 OH2 TIP3 1464 7.192 -21.480 -32.573 1.00 0.00 WAT +ATOM 10701 H1 TIP3 1464 6.569 -21.483 -31.813 1.00 0.00 WAT +ATOM 10702 H2 TIP3 1464 6.600 -21.818 -33.266 1.00 0.00 WAT +ATOM 10703 OH2 TIP3 1465 -0.479 -17.858 -41.585 1.00 0.00 WAT +ATOM 10704 H1 TIP3 1465 -1.031 -18.401 -42.169 1.00 0.00 WAT +ATOM 10705 H2 TIP3 1465 0.318 -17.688 -42.119 1.00 0.00 WAT +ATOM 10706 OH2 TIP3 1466 10.233 -5.683 -25.844 1.00 0.00 WAT +ATOM 10707 H1 TIP3 1466 10.399 -5.275 -26.711 1.00 0.00 WAT +ATOM 10708 H2 TIP3 1466 10.998 -5.365 -25.334 1.00 0.00 WAT +ATOM 10709 OH2 TIP3 1467 -1.716 -13.064 -26.261 1.00 0.00 WAT +ATOM 10710 H1 TIP3 1467 -1.090 -12.885 -25.543 1.00 0.00 WAT +ATOM 10711 H2 TIP3 1467 -2.552 -13.123 -25.764 1.00 0.00 WAT +ATOM 10712 OH2 TIP3 1468 3.819 -18.091 -33.749 1.00 0.00 WAT +ATOM 10713 H1 TIP3 1468 4.561 -18.511 -34.210 1.00 0.00 WAT +ATOM 10714 H2 TIP3 1468 3.669 -18.702 -33.001 1.00 0.00 WAT +ATOM 10715 OH2 TIP3 1469 -0.866 -21.662 -37.624 1.00 0.00 WAT +ATOM 10716 H1 TIP3 1469 -1.403 -22.456 -37.469 1.00 0.00 WAT +ATOM 10717 H2 TIP3 1469 -0.037 -22.031 -37.962 1.00 0.00 WAT +ATOM 10718 OH2 TIP3 1470 2.788 -19.634 -31.504 1.00 0.00 WAT +ATOM 10719 H1 TIP3 1470 2.023 -19.037 -31.485 1.00 0.00 WAT +ATOM 10720 H2 TIP3 1470 3.284 -19.384 -30.697 1.00 0.00 WAT +ATOM 10721 OH2 TIP3 1471 2.902 -13.195 -39.617 1.00 0.00 WAT +ATOM 10722 H1 TIP3 1471 2.163 -13.740 -39.955 1.00 0.00 WAT +ATOM 10723 H2 TIP3 1471 2.749 -13.201 -38.644 1.00 0.00 WAT +ATOM 10724 OH2 TIP3 1472 10.167 -14.084 -30.858 1.00 0.00 WAT +ATOM 10725 H1 TIP3 1472 10.654 -13.547 -31.520 1.00 0.00 WAT +ATOM 10726 H2 TIP3 1472 9.307 -14.205 -31.308 1.00 0.00 WAT +ATOM 10727 OH2 TIP3 1473 7.074 -20.556 -41.747 1.00 0.00 WAT +ATOM 10728 H1 TIP3 1473 6.104 -20.506 -41.893 1.00 0.00 WAT +ATOM 10729 H2 TIP3 1473 7.271 -19.675 -41.378 1.00 0.00 WAT +ATOM 10730 OH2 TIP3 1474 4.530 -13.232 -28.236 1.00 0.00 WAT +ATOM 10731 H1 TIP3 1474 4.218 -13.554 -27.376 1.00 0.00 WAT +ATOM 10732 H2 TIP3 1474 4.224 -12.315 -28.230 1.00 0.00 WAT +ATOM 10733 OH2 TIP3 1475 7.714 -18.619 -39.782 1.00 0.00 WAT +ATOM 10734 H1 TIP3 1475 8.626 -18.739 -39.466 1.00 0.00 WAT +ATOM 10735 H2 TIP3 1475 7.769 -17.814 -40.325 1.00 0.00 WAT +ATOM 10736 OH2 TIP3 1476 -1.932 -13.853 -33.790 1.00 0.00 WAT +ATOM 10737 H1 TIP3 1476 -1.361 -13.961 -34.569 1.00 0.00 WAT +ATOM 10738 H2 TIP3 1476 -1.813 -14.704 -33.337 1.00 0.00 WAT +ATOM 10739 OH2 TIP3 1477 5.375 -11.895 -40.694 1.00 0.00 WAT +ATOM 10740 H1 TIP3 1477 5.076 -11.025 -40.361 1.00 0.00 WAT +ATOM 10741 H2 TIP3 1477 4.629 -12.457 -40.416 1.00 0.00 WAT +ATOM 10742 OH2 TIP3 1478 -4.668 -15.570 -28.496 1.00 0.00 WAT +ATOM 10743 H1 TIP3 1478 -4.509 -16.015 -27.640 1.00 0.00 WAT +ATOM 10744 H2 TIP3 1478 -5.260 -16.187 -28.954 1.00 0.00 WAT +ATOM 10745 OH2 TIP3 1479 2.302 -16.085 -26.532 1.00 0.00 WAT +ATOM 10746 H1 TIP3 1479 2.024 -16.316 -27.432 1.00 0.00 WAT +ATOM 10747 H2 TIP3 1479 3.249 -16.305 -26.582 1.00 0.00 WAT +ATOM 10748 OH2 TIP3 1480 6.847 -10.621 -28.748 1.00 0.00 WAT +ATOM 10749 H1 TIP3 1480 5.884 -10.528 -28.840 1.00 0.00 WAT +ATOM 10750 H2 TIP3 1480 6.975 -10.380 -27.812 1.00 0.00 WAT +ATOM 10751 OH2 TIP3 1481 12.441 -18.518 -39.987 1.00 0.00 WAT +ATOM 10752 H1 TIP3 1481 11.810 -18.703 -40.712 1.00 0.00 WAT +ATOM 10753 H2 TIP3 1481 12.547 -17.565 -40.156 1.00 0.00 WAT +ATOM 10754 OH2 TIP3 1482 12.823 -12.508 -27.221 1.00 0.00 WAT +ATOM 10755 H1 TIP3 1482 11.879 -12.350 -27.435 1.00 0.00 WAT +ATOM 10756 H2 TIP3 1482 13.169 -12.740 -28.103 1.00 0.00 WAT +ATOM 10757 OH2 TIP3 1483 10.684 -9.959 -39.898 1.00 0.00 WAT +ATOM 10758 H1 TIP3 1483 10.333 -10.715 -39.404 1.00 0.00 WAT +ATOM 10759 H2 TIP3 1483 10.960 -10.367 -40.732 1.00 0.00 WAT +ATOM 10760 OH2 TIP3 1484 7.819 -14.647 -32.557 1.00 0.00 WAT +ATOM 10761 H1 TIP3 1484 6.885 -14.796 -32.797 1.00 0.00 WAT +ATOM 10762 H2 TIP3 1484 8.252 -15.366 -33.058 1.00 0.00 WAT +ATOM 10763 OH2 TIP3 1485 0.446 -10.575 -36.538 1.00 0.00 WAT +ATOM 10764 H1 TIP3 1485 0.879 -9.714 -36.649 1.00 0.00 WAT +ATOM 10765 H2 TIP3 1485 -0.471 -10.367 -36.754 1.00 0.00 WAT +ATOM 10766 OH2 TIP3 1486 -3.484 -15.646 -42.015 1.00 0.00 WAT +ATOM 10767 H1 TIP3 1486 -2.920 -15.016 -41.526 1.00 0.00 WAT +ATOM 10768 H2 TIP3 1486 -4.371 -15.452 -41.657 1.00 0.00 WAT +ATOM 10769 OH2 TIP3 1487 2.289 -12.871 -36.885 1.00 0.00 WAT +ATOM 10770 H1 TIP3 1487 1.971 -11.963 -36.758 1.00 0.00 WAT +ATOM 10771 H2 TIP3 1487 1.582 -13.379 -36.461 1.00 0.00 WAT +ATOM 10772 OH2 TIP3 1488 2.437 -8.618 -30.556 1.00 0.00 WAT +ATOM 10773 H1 TIP3 1488 3.005 -7.874 -30.817 1.00 0.00 WAT +ATOM 10774 H2 TIP3 1488 3.037 -9.120 -29.979 1.00 0.00 WAT +ATOM 10775 OH2 TIP3 1489 0.894 -7.660 -37.355 1.00 0.00 WAT +ATOM 10776 H1 TIP3 1489 -0.060 -7.526 -37.238 1.00 0.00 WAT +ATOM 10777 H2 TIP3 1489 1.248 -6.796 -37.074 1.00 0.00 WAT +ATOM 10778 OH2 TIP3 1490 5.855 -12.856 -30.972 1.00 0.00 WAT +ATOM 10779 H1 TIP3 1490 5.564 -13.135 -30.086 1.00 0.00 WAT +ATOM 10780 H2 TIP3 1490 6.584 -13.474 -31.147 1.00 0.00 WAT +ATOM 10781 OH2 TIP3 1491 8.073 -11.539 -41.924 1.00 0.00 WAT +ATOM 10782 H1 TIP3 1491 8.494 -12.038 -41.196 1.00 0.00 WAT +ATOM 10783 H2 TIP3 1491 7.141 -11.660 -41.681 1.00 0.00 WAT +ATOM 10784 OH2 TIP3 1492 8.813 -8.281 -28.577 1.00 0.00 WAT +ATOM 10785 H1 TIP3 1492 8.048 -8.754 -28.960 1.00 0.00 WAT +ATOM 10786 H2 TIP3 1492 8.875 -7.490 -29.144 1.00 0.00 WAT +ATOM 10787 OH2 TIP3 1493 12.917 -7.128 -41.590 1.00 0.00 WAT +ATOM 10788 H1 TIP3 1493 13.611 -6.449 -41.451 1.00 0.00 WAT +ATOM 10789 H2 TIP3 1493 12.115 -6.616 -41.356 1.00 0.00 WAT +ATOM 10790 OH2 TIP3 1494 -3.350 -20.926 -28.916 1.00 0.00 WAT +ATOM 10791 H1 TIP3 1494 -4.261 -20.666 -29.154 1.00 0.00 WAT +ATOM 10792 H2 TIP3 1494 -3.495 -21.789 -28.490 1.00 0.00 WAT +ATOM 10793 OH2 TIP3 1495 9.014 -12.954 -39.677 1.00 0.00 WAT +ATOM 10794 H1 TIP3 1495 8.723 -13.667 -39.079 1.00 0.00 WAT +ATOM 10795 H2 TIP3 1495 9.984 -13.009 -39.585 1.00 0.00 WAT +ATOM 10796 OH2 TIP3 1496 -3.583 -9.185 -30.497 1.00 0.00 WAT +ATOM 10797 H1 TIP3 1496 -3.277 -10.088 -30.330 1.00 0.00 WAT +ATOM 10798 H2 TIP3 1496 -3.362 -8.768 -29.655 1.00 0.00 WAT +ATOM 10799 OH2 TIP3 1497 2.534 -10.531 -43.240 1.00 0.00 WAT +ATOM 10800 H1 TIP3 1497 2.947 -11.345 -43.586 1.00 0.00 WAT +ATOM 10801 H2 TIP3 1497 1.966 -10.895 -42.536 1.00 0.00 WAT +ATOM 10802 OH2 TIP3 1498 1.001 -10.996 -40.692 1.00 0.00 WAT +ATOM 10803 H1 TIP3 1498 1.594 -11.550 -40.161 1.00 0.00 WAT +ATOM 10804 H2 TIP3 1498 1.289 -10.092 -40.465 1.00 0.00 WAT +ATOM 10805 OH2 TIP3 1499 -2.100 -13.628 -40.400 1.00 0.00 WAT +ATOM 10806 H1 TIP3 1499 -2.812 -13.203 -39.879 1.00 0.00 WAT +ATOM 10807 H2 TIP3 1499 -1.567 -12.857 -40.653 1.00 0.00 WAT +ATOM 10808 OH2 TIP3 1500 5.620 -21.100 -30.374 1.00 0.00 WAT +ATOM 10809 H1 TIP3 1500 6.230 -20.799 -29.683 1.00 0.00 WAT +ATOM 10810 H2 TIP3 1500 5.136 -21.829 -29.939 1.00 0.00 WAT +ATOM 10811 OH2 TIP3 1501 6.207 -21.568 -39.193 1.00 0.00 WAT +ATOM 10812 H1 TIP3 1501 6.450 -21.096 -40.014 1.00 0.00 WAT +ATOM 10813 H2 TIP3 1501 6.716 -21.075 -38.532 1.00 0.00 WAT +ATOM 10814 OH2 TIP3 1502 4.017 -9.399 -40.269 1.00 0.00 WAT +ATOM 10815 H1 TIP3 1502 3.249 -8.865 -40.020 1.00 0.00 WAT +ATOM 10816 H2 TIP3 1502 4.543 -8.764 -40.768 1.00 0.00 WAT +ATOM 10817 OH2 TIP3 1503 3.638 -19.644 -38.153 1.00 0.00 WAT +ATOM 10818 H1 TIP3 1503 4.432 -19.078 -38.059 1.00 0.00 WAT +ATOM 10819 H2 TIP3 1503 3.385 -19.790 -37.223 1.00 0.00 WAT +ATOM 10820 OH2 TIP3 1504 4.027 -18.755 -29.005 1.00 0.00 WAT +ATOM 10821 H1 TIP3 1504 4.075 -18.234 -28.185 1.00 0.00 WAT +ATOM 10822 H2 TIP3 1504 4.567 -19.522 -28.772 1.00 0.00 WAT +ATOM 10823 OH2 TIP3 1505 4.294 -22.614 -37.246 1.00 0.00 WAT +ATOM 10824 H1 TIP3 1505 4.091 -21.920 -36.591 1.00 0.00 WAT +ATOM 10825 H2 TIP3 1505 5.008 -22.180 -37.760 1.00 0.00 WAT +ATOM 10826 OH2 TIP3 1506 1.200 -8.195 -40.253 1.00 0.00 WAT +ATOM 10827 H1 TIP3 1506 1.267 -7.334 -40.711 1.00 0.00 WAT +ATOM 10828 H2 TIP3 1506 1.099 -7.933 -39.320 1.00 0.00 WAT +ATOM 10829 OH2 TIP3 1507 0.004 -21.543 -40.778 1.00 0.00 WAT +ATOM 10830 H1 TIP3 1507 -0.064 -20.826 -40.126 1.00 0.00 WAT +ATOM 10831 H2 TIP3 1507 0.767 -22.043 -40.429 1.00 0.00 WAT +ATOM 10832 OH2 TIP3 1508 10.197 -20.729 -27.991 1.00 0.00 WAT +ATOM 10833 H1 TIP3 1508 9.281 -20.637 -28.318 1.00 0.00 WAT +ATOM 10834 H2 TIP3 1508 10.653 -20.917 -28.828 1.00 0.00 WAT +ATOM 10835 OH2 TIP3 1509 8.817 -16.885 -34.095 1.00 0.00 WAT +ATOM 10836 H1 TIP3 1509 7.992 -17.336 -34.353 1.00 0.00 WAT +ATOM 10837 H2 TIP3 1509 9.296 -17.595 -33.613 1.00 0.00 WAT +ATOM 10838 OH2 TIP3 1510 -1.668 -10.644 -41.592 1.00 0.00 WAT +ATOM 10839 H1 TIP3 1510 -0.853 -10.384 -41.125 1.00 0.00 WAT +ATOM 10840 H2 TIP3 1510 -1.275 -11.194 -42.288 1.00 0.00 WAT +ATOM 10841 OH2 TIP3 1511 -3.427 -18.482 -42.539 1.00 0.00 WAT +ATOM 10842 H1 TIP3 1511 -3.274 -17.529 -42.388 1.00 0.00 WAT +ATOM 10843 H2 TIP3 1511 -4.336 -18.488 -42.883 1.00 0.00 WAT +ATOM 10844 OH2 TIP3 1512 9.841 -8.039 -32.706 1.00 0.00 WAT +ATOM 10845 H1 TIP3 1512 9.668 -7.215 -33.200 1.00 0.00 WAT +ATOM 10846 H2 TIP3 1512 10.762 -7.892 -32.442 1.00 0.00 WAT +ATOM 10847 OH2 TIP3 1513 -2.544 -23.528 -33.709 1.00 0.00 WAT +ATOM 10848 H1 TIP3 1513 -2.733 -23.539 -34.670 1.00 0.00 WAT +ATOM 10849 H2 TIP3 1513 -2.898 -24.385 -33.409 1.00 0.00 WAT +ATOM 10850 OH2 TIP3 1514 -3.681 -10.012 -37.472 1.00 0.00 WAT +ATOM 10851 H1 TIP3 1514 -4.459 -9.484 -37.249 1.00 0.00 WAT +ATOM 10852 H2 TIP3 1514 -3.273 -9.502 -38.183 1.00 0.00 WAT +ATOM 10853 OH2 TIP3 1515 -4.250 -7.161 -26.283 1.00 0.00 WAT +ATOM 10854 H1 TIP3 1515 -3.678 -7.510 -25.585 1.00 0.00 WAT +ATOM 10855 H2 TIP3 1515 -4.657 -7.992 -26.602 1.00 0.00 WAT +ATOM 10856 OH2 TIP3 1516 4.655 -8.709 -43.323 1.00 0.00 WAT +ATOM 10857 H1 TIP3 1516 3.859 -9.278 -43.254 1.00 0.00 WAT +ATOM 10858 H2 TIP3 1516 5.320 -9.393 -43.502 1.00 0.00 WAT +ATOM 10859 OH2 TIP3 1517 6.880 -9.786 -25.967 1.00 0.00 WAT +ATOM 10860 H1 TIP3 1517 6.369 -10.468 -25.492 1.00 0.00 WAT +ATOM 10861 H2 TIP3 1517 7.464 -9.464 -25.261 1.00 0.00 WAT +ATOM 10862 OH2 TIP3 1518 8.516 -8.945 -42.880 1.00 0.00 WAT +ATOM 10863 H1 TIP3 1518 8.689 -9.805 -42.463 1.00 0.00 WAT +ATOM 10864 H2 TIP3 1518 9.393 -8.645 -43.170 1.00 0.00 WAT +ATOM 10865 OH2 TIP3 1519 -4.262 -13.421 -25.147 1.00 0.00 WAT +ATOM 10866 H1 TIP3 1519 -4.179 -14.353 -25.411 1.00 0.00 WAT +ATOM 10867 H2 TIP3 1519 -5.049 -13.158 -25.665 1.00 0.00 WAT +ATOM 10868 OH2 TIP3 1520 -0.042 -12.867 -43.064 1.00 0.00 WAT +ATOM 10869 H1 TIP3 1520 0.055 -13.617 -42.460 1.00 0.00 WAT +ATOM 10870 H2 TIP3 1520 0.571 -13.109 -43.774 1.00 0.00 WAT +ATOM 10871 OH2 TIP3 1521 2.459 -13.200 -25.789 1.00 0.00 WAT +ATOM 10872 H1 TIP3 1521 1.887 -12.936 -26.525 1.00 0.00 WAT +ATOM 10873 H2 TIP3 1521 2.353 -14.169 -25.777 1.00 0.00 WAT +ATOM 10874 OH2 TIP3 1522 5.327 -11.832 -43.465 1.00 0.00 WAT +ATOM 10875 H1 TIP3 1522 5.392 -11.841 -42.492 1.00 0.00 WAT +ATOM 10876 H2 TIP3 1522 5.894 -12.574 -43.727 1.00 0.00 WAT +ATOM 10877 OH2 TIP3 1523 7.700 -13.685 -28.428 1.00 0.00 WAT +ATOM 10878 H1 TIP3 1523 8.471 -13.130 -28.622 1.00 0.00 WAT +ATOM 10879 H2 TIP3 1523 6.994 -13.018 -28.421 1.00 0.00 WAT +ATOM 10880 OH2 TIP3 1524 -3.429 -16.303 -25.958 1.00 0.00 WAT +ATOM 10881 H1 TIP3 1524 -2.719 -16.971 -25.971 1.00 0.00 WAT +ATOM 10882 H2 TIP3 1524 -3.471 -16.126 -25.007 1.00 0.00 WAT +ATOM 10883 OH2 TIP3 1525 0.979 -14.998 -40.887 1.00 0.00 WAT +ATOM 10884 H1 TIP3 1525 0.394 -15.491 -40.295 1.00 0.00 WAT +ATOM 10885 H2 TIP3 1525 1.353 -15.715 -41.433 1.00 0.00 WAT +ATOM 10886 OH2 TIP3 1526 0.167 -17.240 -28.630 1.00 0.00 WAT +ATOM 10887 H1 TIP3 1526 -0.270 -16.436 -28.303 1.00 0.00 WAT +ATOM 10888 H2 TIP3 1526 0.880 -16.864 -29.178 1.00 0.00 WAT +ATOM 10889 OH2 TIP3 1527 1.962 -17.017 -42.670 1.00 0.00 WAT +ATOM 10890 H1 TIP3 1527 2.027 -17.121 -43.630 1.00 0.00 WAT +ATOM 10891 H2 TIP3 1527 2.923 -16.887 -42.523 1.00 0.00 WAT +ATOM 10892 OH2 TIP3 1528 5.409 -14.666 -25.060 1.00 0.00 WAT +ATOM 10893 H1 TIP3 1528 6.313 -14.784 -25.385 1.00 0.00 WAT +ATOM 10894 H2 TIP3 1528 5.251 -15.492 -24.582 1.00 0.00 WAT +ATOM 10895 OH2 TIP3 1529 0.810 -19.930 -27.426 1.00 0.00 WAT +ATOM 10896 H1 TIP3 1529 0.887 -20.593 -28.136 1.00 0.00 WAT +ATOM 10897 H2 TIP3 1529 0.598 -19.126 -27.929 1.00 0.00 WAT +ATOM 10898 OH2 TIP3 1530 1.144 -21.473 -29.976 1.00 0.00 WAT +ATOM 10899 H1 TIP3 1530 1.670 -20.942 -30.606 1.00 0.00 WAT +ATOM 10900 H2 TIP3 1530 0.236 -21.422 -30.339 1.00 0.00 WAT +ATOM 10901 OH2 TIP3 1531 2.667 -16.032 -29.567 1.00 0.00 WAT +ATOM 10902 H1 TIP3 1531 3.514 -16.116 -30.030 1.00 0.00 WAT +ATOM 10903 H2 TIP3 1531 2.381 -15.145 -29.861 1.00 0.00 WAT +ATOM 10904 OH2 TIP3 1532 7.317 -18.060 -24.688 1.00 0.00 WAT +ATOM 10905 H1 TIP3 1532 7.493 -19.013 -24.683 1.00 0.00 WAT +ATOM 10906 H2 TIP3 1532 8.198 -17.706 -24.891 1.00 0.00 WAT +ATOM 10907 OH2 TIP3 1533 8.244 -15.276 -26.242 1.00 0.00 WAT +ATOM 10908 H1 TIP3 1533 7.909 -14.677 -26.943 1.00 0.00 WAT +ATOM 10909 H2 TIP3 1533 9.140 -15.458 -26.588 1.00 0.00 WAT +ATOM 10910 OH2 TIP3 1534 -1.012 -18.059 -25.667 1.00 0.00 WAT +ATOM 10911 H1 TIP3 1534 -1.531 -18.881 -25.605 1.00 0.00 WAT +ATOM 10912 H2 TIP3 1534 -0.181 -18.375 -26.052 1.00 0.00 WAT +ATOM 10913 OH2 TIP3 1535 1.854 -24.141 -29.606 1.00 0.00 WAT +ATOM 10914 H1 TIP3 1535 1.698 -23.186 -29.773 1.00 0.00 WAT +ATOM 10915 H2 TIP3 1535 1.155 -24.546 -30.152 1.00 0.00 WAT +ATOM 10916 OH2 TIP3 1536 3.124 -19.572 -25.809 1.00 0.00 WAT +ATOM 10917 H1 TIP3 1536 2.760 -19.794 -24.932 1.00 0.00 WAT +ATOM 10918 H2 TIP3 1536 2.330 -19.750 -26.356 1.00 0.00 WAT +ATOM 10919 OH2 TIP3 1537 5.665 -20.526 -26.955 1.00 0.00 WAT +ATOM 10920 H1 TIP3 1537 4.785 -20.486 -26.537 1.00 0.00 WAT +ATOM 10921 H2 TIP3 1537 6.131 -21.165 -26.379 1.00 0.00 WAT +ATOM 10922 OH2 TIP3 1538 7.462 -22.016 -25.237 1.00 0.00 WAT +ATOM 10923 H1 TIP3 1538 7.371 -22.979 -25.085 1.00 0.00 WAT +ATOM 10924 H2 TIP3 1538 7.341 -21.640 -24.347 1.00 0.00 WAT +ATOM 10925 OH2 TIP3 1539 -2.330 -20.626 -25.769 1.00 0.00 WAT +ATOM 10926 H1 TIP3 1539 -2.394 -21.328 -26.434 1.00 0.00 WAT +ATOM 10927 H2 TIP3 1539 -2.544 -21.110 -24.948 1.00 0.00 WAT +ATOM 10928 OH2 TIP3 1540 1.691 -24.663 -26.795 1.00 0.00 WAT +ATOM 10929 H1 TIP3 1540 2.312 -25.409 -26.741 1.00 0.00 WAT +ATOM 10930 H2 TIP3 1540 1.676 -24.503 -27.760 1.00 0.00 WAT +ATOM 10931 OH2 TIP3 1541 2.642 -22.786 -24.944 1.00 0.00 WAT +ATOM 10932 H1 TIP3 1541 2.336 -23.370 -25.666 1.00 0.00 WAT +ATOM 10933 H2 TIP3 1541 1.955 -22.100 -24.916 1.00 0.00 WAT +ATOM 10934 OH2 TIP3 1542 1.773 -5.717 -41.713 1.00 0.00 WAT +ATOM 10935 H1 TIP3 1542 2.732 -5.613 -41.606 1.00 0.00 WAT +ATOM 10936 H2 TIP3 1542 1.564 -5.124 -42.450 1.00 0.00 WAT +ATOM 10937 OH2 TIP3 1543 -4.408 -11.614 -42.032 1.00 0.00 WAT +ATOM 10938 H1 TIP3 1543 -3.481 -11.317 -41.961 1.00 0.00 WAT +ATOM 10939 H2 TIP3 1543 -4.362 -12.272 -42.740 1.00 0.00 WAT +ATOM 10940 OH2 TIP3 1544 -5.348 -6.159 -37.201 1.00 0.00 WAT +ATOM 10941 H1 TIP3 1544 -6.074 -6.521 -37.746 1.00 0.00 WAT +ATOM 10942 H2 TIP3 1544 -5.283 -6.830 -36.491 1.00 0.00 WAT +ATOM 10943 OH2 TIP3 1545 -4.985 -8.127 -35.203 1.00 0.00 WAT +ATOM 10944 H1 TIP3 1545 -5.276 -9.000 -34.887 1.00 0.00 WAT +ATOM 10945 H2 TIP3 1545 -4.633 -7.778 -34.367 1.00 0.00 WAT +ATOM 10946 OH2 TIP3 1546 12.559 -6.862 -32.195 1.00 0.00 WAT +ATOM 10947 H1 TIP3 1546 12.709 -6.885 -31.237 1.00 0.00 WAT +ATOM 10948 H2 TIP3 1546 13.422 -6.569 -32.518 1.00 0.00 WAT +ATOM 10949 OH2 TIP3 1547 12.448 -7.420 -29.323 1.00 0.00 WAT +ATOM 10950 H1 TIP3 1547 11.937 -8.178 -29.665 1.00 0.00 WAT +ATOM 10951 H2 TIP3 1547 13.008 -7.872 -28.673 1.00 0.00 WAT +ATOM 10952 OH2 TIP3 1548 10.455 -11.997 -24.953 1.00 0.00 WAT +ATOM 10953 H1 TIP3 1548 9.584 -11.908 -24.532 1.00 0.00 WAT +ATOM 10954 H2 TIP3 1548 10.892 -11.164 -24.721 1.00 0.00 WAT +ATOM 10955 OH2 TIP3 1549 11.848 -13.149 -39.305 1.00 0.00 WAT +ATOM 10956 H1 TIP3 1549 12.751 -12.799 -39.178 1.00 0.00 WAT +ATOM 10957 H2 TIP3 1549 11.806 -13.795 -38.576 1.00 0.00 WAT +ATOM 10958 OH2 TIP3 1550 12.293 -15.186 -37.349 1.00 0.00 WAT +ATOM 10959 H1 TIP3 1550 11.588 -15.721 -36.929 1.00 0.00 WAT +ATOM 10960 H2 TIP3 1550 12.921 -15.038 -36.615 1.00 0.00 WAT +ATOM 10961 OH2 TIP3 1551 12.042 -12.659 -32.351 1.00 0.00 WAT +ATOM 10962 H1 TIP3 1551 12.697 -13.115 -32.901 1.00 0.00 WAT +ATOM 10963 H2 TIP3 1551 12.136 -11.738 -32.647 1.00 0.00 WAT +ATOM 10964 OH2 TIP3 1552 10.747 -9.718 -30.090 1.00 0.00 WAT +ATOM 10965 H1 TIP3 1552 10.018 -9.312 -29.589 1.00 0.00 WAT +ATOM 10966 H2 TIP3 1552 10.281 -10.080 -30.870 1.00 0.00 WAT +ATOM 10967 OH2 TIP3 1553 12.617 -15.465 -41.071 1.00 0.00 WAT +ATOM 10968 H1 TIP3 1553 11.984 -15.225 -41.765 1.00 0.00 WAT +ATOM 10969 H2 TIP3 1553 12.398 -14.796 -40.402 1.00 0.00 WAT +ATOM 10970 OH2 TIP3 1554 10.834 -18.098 -42.134 1.00 0.00 WAT +ATOM 10971 H1 TIP3 1554 11.066 -17.339 -42.695 1.00 0.00 WAT +ATOM 10972 H2 TIP3 1554 11.139 -18.843 -42.656 1.00 0.00 WAT +ATOM 10973 OH2 TIP3 1555 10.289 -17.013 -36.480 1.00 0.00 WAT +ATOM 10974 H1 TIP3 1555 10.149 -17.952 -36.685 1.00 0.00 WAT +ATOM 10975 H2 TIP3 1555 9.860 -16.921 -35.605 1.00 0.00 WAT +ATOM 10976 OH2 TIP3 1556 -4.908 -14.786 -32.797 1.00 0.00 WAT +ATOM 10977 H1 TIP3 1556 -4.649 -14.735 -33.733 1.00 0.00 WAT +ATOM 10978 H2 TIP3 1556 -4.043 -14.998 -32.387 1.00 0.00 WAT +ATOM 10979 OH2 TIP3 1557 10.976 -15.164 -27.137 1.00 0.00 WAT +ATOM 10980 H1 TIP3 1557 11.726 -15.772 -27.233 1.00 0.00 WAT +ATOM 10981 H2 TIP3 1557 11.344 -14.348 -27.505 1.00 0.00 WAT +ATOM 10982 OH2 TIP3 1558 12.645 -17.480 -26.082 1.00 0.00 WAT +ATOM 10983 H1 TIP3 1558 11.796 -17.807 -26.438 1.00 0.00 WAT +ATOM 10984 H2 TIP3 1558 13.299 -18.068 -26.476 1.00 0.00 WAT +ATOM 10985 OH2 TIP3 1559 10.070 -21.560 -43.397 1.00 0.00 WAT +ATOM 10986 H1 TIP3 1559 10.574 -21.388 -42.600 1.00 0.00 WAT +ATOM 10987 H2 TIP3 1559 9.142 -21.599 -43.113 1.00 0.00 WAT +ATOM 10988 OH2 TIP3 1560 10.084 -19.450 -38.322 1.00 0.00 WAT +ATOM 10989 H1 TIP3 1560 10.310 -20.407 -38.284 1.00 0.00 WAT +ATOM 10990 H2 TIP3 1560 10.886 -19.090 -38.734 1.00 0.00 WAT +ATOM 10991 OH2 TIP3 1561 10.345 -18.882 -32.880 1.00 0.00 WAT +ATOM 10992 H1 TIP3 1561 11.321 -18.794 -32.882 1.00 0.00 WAT +ATOM 10993 H2 TIP3 1561 10.185 -18.896 -31.921 1.00 0.00 WAT +ATOM 10994 OH2 TIP3 1562 10.500 -18.180 -30.024 1.00 0.00 WAT +ATOM 10995 H1 TIP3 1562 9.643 -17.777 -29.796 1.00 0.00 WAT +ATOM 10996 H2 TIP3 1562 11.039 -17.405 -30.266 1.00 0.00 WAT +ATOM 10997 OH2 TIP3 1563 -5.003 -19.437 -26.448 1.00 0.00 WAT +ATOM 10998 H1 TIP3 1563 -4.062 -19.665 -26.333 1.00 0.00 WAT +ATOM 10999 H2 TIP3 1563 -5.426 -20.303 -26.318 1.00 0.00 WAT +ATOM 11000 OH2 TIP3 1564 12.968 -23.957 -24.878 1.00 0.00 WAT +ATOM 11001 H1 TIP3 1564 13.432 -24.628 -25.412 1.00 0.00 WAT +ATOM 11002 H2 TIP3 1564 13.100 -23.147 -25.414 1.00 0.00 WAT +ATOM 11003 OH2 TIP3 1565 10.568 -22.187 -38.257 1.00 0.00 WAT +ATOM 11004 H1 TIP3 1565 10.660 -22.603 -37.384 1.00 0.00 WAT +ATOM 11005 H2 TIP3 1565 9.827 -22.710 -38.630 1.00 0.00 WAT +ATOM 11006 OH2 TIP3 1566 -4.225 -21.097 -33.594 1.00 0.00 WAT +ATOM 11007 H1 TIP3 1566 -3.762 -21.949 -33.516 1.00 0.00 WAT +ATOM 11008 H2 TIP3 1566 -3.543 -20.489 -33.250 1.00 0.00 WAT +ATOM 11009 OH2 TIP3 1567 -5.686 -18.419 -32.554 1.00 0.00 WAT +ATOM 11010 H1 TIP3 1567 -5.101 -18.463 -33.328 1.00 0.00 WAT +ATOM 11011 H2 TIP3 1567 -5.315 -17.658 -32.089 1.00 0.00 WAT +ATOM 11012 OH2 TIP3 1568 12.661 -21.759 -26.459 1.00 0.00 WAT +ATOM 11013 H1 TIP3 1568 11.769 -21.378 -26.458 1.00 0.00 WAT +ATOM 11014 H2 TIP3 1568 12.670 -22.236 -27.299 1.00 0.00 WAT +ATOM 11015 OH2 TIP3 1569 12.619 -21.834 -41.706 1.00 0.00 WAT +ATOM 11016 H1 TIP3 1569 12.808 -22.532 -42.344 1.00 0.00 WAT +ATOM 11017 H2 TIP3 1569 13.442 -21.321 -41.721 1.00 0.00 WAT +ATOM 11018 OH2 TIP3 1570 -5.186 -22.078 -38.520 1.00 0.00 WAT +ATOM 11019 H1 TIP3 1570 -6.139 -22.059 -38.718 1.00 0.00 WAT +ATOM 11020 H2 TIP3 1570 -4.810 -21.480 -39.195 1.00 0.00 WAT +ATOM 11021 OH2 TIP3 1571 9.425 -6.828 -36.416 1.00 0.00 WAT +ATOM 11022 H1 TIP3 1571 9.917 -7.096 -37.208 1.00 0.00 WAT +ATOM 11023 H2 TIP3 1571 10.122 -6.452 -35.865 1.00 0.00 WAT +ATOM 11024 OH2 TIP3 1572 -5.147 -23.211 -30.352 1.00 0.00 WAT +ATOM 11025 H1 TIP3 1572 -5.854 -23.461 -29.741 1.00 0.00 WAT +ATOM 11026 H2 TIP3 1572 -5.640 -22.674 -30.999 1.00 0.00 WAT +ATOM 11027 OH2 TIP3 1573 -3.143 -9.956 -25.597 1.00 0.00 WAT +ATOM 11028 H1 TIP3 1573 -3.748 -10.147 -26.330 1.00 0.00 WAT +ATOM 11029 H2 TIP3 1573 -3.651 -10.265 -24.832 1.00 0.00 WAT +ATOM 11030 OH2 TIP3 1574 -0.316 -9.114 -29.927 1.00 0.00 WAT +ATOM 11031 H1 TIP3 1574 -0.624 -8.264 -30.285 1.00 0.00 WAT +ATOM 11032 H2 TIP3 1574 0.642 -9.029 -30.109 1.00 0.00 WAT +ATOM 11033 OH2 TIP3 1575 4.218 -7.905 -26.682 1.00 0.00 WAT +ATOM 11034 H1 TIP3 1575 4.426 -8.139 -25.767 1.00 0.00 WAT +ATOM 11035 H2 TIP3 1575 5.035 -7.451 -26.961 1.00 0.00 WAT +ATOM 11036 OH2 TIP3 1576 6.429 -6.423 -27.680 1.00 0.00 WAT +ATOM 11037 H1 TIP3 1576 7.109 -7.074 -27.907 1.00 0.00 WAT +ATOM 11038 H2 TIP3 1576 6.737 -6.113 -26.806 1.00 0.00 WAT +ATOM 11039 OH2 TIP3 1577 11.342 -23.746 -28.486 1.00 0.00 WAT +ATOM 11040 H1 TIP3 1577 10.555 -23.524 -29.008 1.00 0.00 WAT +ATOM 11041 H2 TIP3 1577 11.576 -24.628 -28.840 1.00 0.00 WAT +ATOM 11042 OH2 TIP3 1578 -2.954 -6.186 -29.680 1.00 0.00 WAT +ATOM 11043 H1 TIP3 1578 -3.542 -5.534 -30.103 1.00 0.00 WAT +ATOM 11044 H2 TIP3 1578 -3.242 -6.103 -28.762 1.00 0.00 WAT +ATOM 11045 OH2 TIP3 1579 -0.458 -6.427 -31.125 1.00 0.00 WAT +ATOM 11046 H1 TIP3 1579 -1.303 -6.228 -30.675 1.00 0.00 WAT +ATOM 11047 H2 TIP3 1579 -0.408 -5.719 -31.791 1.00 0.00 WAT +ATOM 11048 OH2 TIP3 1580 4.305 -6.400 -31.556 1.00 0.00 WAT +ATOM 11049 H1 TIP3 1580 3.917 -5.940 -32.320 1.00 0.00 WAT +ATOM 11050 H2 TIP3 1580 4.370 -5.674 -30.907 1.00 0.00 WAT +ATOM 11051 OH2 TIP3 1581 6.641 -7.680 -30.640 1.00 0.00 WAT +ATOM 11052 H1 TIP3 1581 5.788 -7.327 -30.958 1.00 0.00 WAT +ATOM 11053 H2 TIP3 1581 7.191 -6.884 -30.646 1.00 0.00 WAT +ATOM 11054 OH2 TIP3 1582 9.169 -5.943 -30.442 1.00 0.00 WAT +ATOM 11055 H1 TIP3 1582 9.114 -4.994 -30.669 1.00 0.00 WAT +ATOM 11056 H2 TIP3 1582 9.439 -6.316 -31.297 1.00 0.00 WAT +ATOM 11057 OH2 TIP3 1583 -3.368 -7.381 -32.728 1.00 0.00 WAT +ATOM 11058 H1 TIP3 1583 -3.385 -7.848 -31.863 1.00 0.00 WAT +ATOM 11059 H2 TIP3 1583 -2.596 -7.813 -33.144 1.00 0.00 WAT +ATOM 11060 OH2 TIP3 1584 -1.335 -8.618 -34.297 1.00 0.00 WAT +ATOM 11061 H1 TIP3 1584 -1.495 -9.544 -34.020 1.00 0.00 WAT +ATOM 11062 H2 TIP3 1584 -0.428 -8.469 -33.962 1.00 0.00 WAT +ATOM 11063 OH2 TIP3 1585 1.413 -8.164 -33.400 1.00 0.00 WAT +ATOM 11064 H1 TIP3 1585 1.603 -9.097 -33.608 1.00 0.00 WAT +ATOM 11065 H2 TIP3 1585 1.488 -8.184 -32.432 1.00 0.00 WAT +ATOM 11066 OH2 TIP3 1586 4.747 -22.270 -34.083 1.00 0.00 WAT +ATOM 11067 H1 TIP3 1586 4.053 -22.945 -33.955 1.00 0.00 WAT +ATOM 11068 H2 TIP3 1586 5.347 -22.716 -34.701 1.00 0.00 WAT +ATOM 11069 OH2 TIP3 1587 9.695 -24.271 -33.644 1.00 0.00 WAT +ATOM 11070 H1 TIP3 1587 10.451 -23.799 -34.031 1.00 0.00 WAT +ATOM 11071 H2 TIP3 1587 8.946 -23.939 -34.168 1.00 0.00 WAT +ATOM 11072 OH2 TIP3 1588 11.785 -23.160 -35.751 1.00 0.00 WAT +ATOM 11073 H1 TIP3 1588 12.492 -23.562 -36.287 1.00 0.00 WAT +ATOM 11074 H2 TIP3 1588 12.064 -22.237 -35.669 1.00 0.00 WAT +ATOM 11075 OH2 TIP3 1589 -2.902 -23.552 -36.518 1.00 0.00 WAT +ATOM 11076 H1 TIP3 1589 -3.760 -23.673 -36.970 1.00 0.00 WAT +ATOM 11077 H2 TIP3 1589 -2.475 -24.409 -36.689 1.00 0.00 WAT +ATOM 11078 OH2 TIP3 1590 -4.103 -23.988 -40.805 1.00 0.00 WAT +ATOM 11079 H1 TIP3 1590 -3.512 -23.347 -41.263 1.00 0.00 WAT +ATOM 11080 H2 TIP3 1590 -4.440 -23.450 -40.071 1.00 0.00 WAT +ATOM 11081 OH2 TIP3 1591 1.566 -23.759 -36.645 1.00 0.00 WAT +ATOM 11082 H1 TIP3 1591 2.455 -23.404 -36.808 1.00 0.00 WAT +ATOM 11083 H2 TIP3 1591 1.567 -23.817 -35.682 1.00 0.00 WAT +ATOM 11084 OH2 TIP3 1592 7.184 -23.684 -35.232 1.00 0.00 WAT +ATOM 11085 H1 TIP3 1592 7.409 -23.810 -36.165 1.00 0.00 WAT +ATOM 11086 H2 TIP3 1592 6.788 -24.543 -35.000 1.00 0.00 WAT +ATOM 11087 OH2 TIP3 1593 8.257 -23.609 -39.144 1.00 0.00 WAT +ATOM 11088 H1 TIP3 1593 7.471 -23.115 -39.445 1.00 0.00 WAT +ATOM 11089 H2 TIP3 1593 7.937 -24.522 -39.236 1.00 0.00 WAT +ATOM 11090 OH2 TIP3 1594 -4.035 -8.097 -39.664 1.00 0.00 WAT +ATOM 11091 H1 TIP3 1594 -4.754 -8.110 -40.317 1.00 0.00 WAT +ATOM 11092 H2 TIP3 1594 -4.037 -7.170 -39.403 1.00 0.00 WAT +ATOM 11093 OH2 TIP3 1595 -2.433 -22.305 -42.281 1.00 0.00 WAT +ATOM 11094 H1 TIP3 1595 -1.856 -22.840 -42.842 1.00 0.00 WAT +ATOM 11095 H2 TIP3 1595 -1.781 -21.770 -41.797 1.00 0.00 WAT +ATOM 11096 OH2 TIP3 1596 2.630 -22.112 -39.554 1.00 0.00 WAT +ATOM 11097 H1 TIP3 1596 3.093 -22.623 -38.873 1.00 0.00 WAT +ATOM 11098 H2 TIP3 1596 2.935 -21.222 -39.315 1.00 0.00 WAT +ATOM 11099 OH2 TIP3 1597 4.732 -6.454 -41.479 1.00 0.00 WAT +ATOM 11100 H1 TIP3 1597 5.709 -6.341 -41.498 1.00 0.00 WAT +ATOM 11101 H2 TIP3 1597 4.636 -7.088 -42.214 1.00 0.00 WAT +ATOM 11102 OH2 TIP3 1598 11.368 -7.269 -38.839 1.00 0.00 WAT +ATOM 11103 H1 TIP3 1598 11.079 -8.110 -39.252 1.00 0.00 WAT +ATOM 11104 H2 TIP3 1598 11.141 -6.617 -39.534 1.00 0.00 WAT +ATOM 11105 OH2 TIP3 1599 -3.107 -23.332 -27.022 1.00 0.00 WAT +ATOM 11106 H1 TIP3 1599 -3.498 -24.139 -26.644 1.00 0.00 WAT +ATOM 11107 H2 TIP3 1599 -2.184 -23.428 -26.735 1.00 0.00 WAT +ATOM 11108 OH2 TIP3 1600 -0.730 -23.937 -25.288 1.00 0.00 WAT +ATOM 11109 H1 TIP3 1600 0.105 -24.268 -25.679 1.00 0.00 WAT +ATOM 11110 H2 TIP3 1600 -1.053 -24.737 -24.847 1.00 0.00 WAT +ATOM 11111 OH2 TIP3 1601 -2.041 -7.025 -42.312 1.00 0.00 WAT +ATOM 11112 H1 TIP3 1601 -2.433 -6.812 -41.457 1.00 0.00 WAT +ATOM 11113 H2 TIP3 1601 -1.366 -7.676 -42.089 1.00 0.00 WAT +ATOM 11114 OH2 TIP3 1602 7.406 -24.824 -25.102 1.00 0.00 WAT +ATOM 11115 H1 TIP3 1602 7.439 -25.243 -24.221 1.00 0.00 WAT +ATOM 11116 H2 TIP3 1602 8.346 -24.859 -25.365 1.00 0.00 WAT +ATOM 11117 OH2 TIP3 1603 10.741 -8.513 -26.379 1.00 0.00 WAT +ATOM 11118 H1 TIP3 1603 10.012 -8.693 -27.001 1.00 0.00 WAT +ATOM 11119 H2 TIP3 1603 10.594 -7.568 -26.194 1.00 0.00 WAT +ATOM 11120 OH2 TIP3 1604 24.940 -14.818 -36.273 1.00 0.00 WAT +ATOM 11121 H1 TIP3 1604 24.961 -13.849 -36.186 1.00 0.00 WAT +ATOM 11122 H2 TIP3 1604 24.225 -14.932 -36.913 1.00 0.00 WAT +ATOM 11123 OH2 TIP3 1605 23.801 -15.344 -33.196 1.00 0.00 WAT +ATOM 11124 H1 TIP3 1605 23.847 -15.879 -32.386 1.00 0.00 WAT +ATOM 11125 H2 TIP3 1605 23.611 -16.013 -33.871 1.00 0.00 WAT +ATOM 11126 OH2 TIP3 1606 16.328 -15.963 -31.516 1.00 0.00 WAT +ATOM 11127 H1 TIP3 1606 16.222 -16.717 -30.884 1.00 0.00 WAT +ATOM 11128 H2 TIP3 1606 16.898 -15.398 -30.972 1.00 0.00 WAT +ATOM 11129 OH2 TIP3 1607 27.498 -12.517 -34.784 1.00 0.00 WAT +ATOM 11130 H1 TIP3 1607 27.192 -13.257 -34.247 1.00 0.00 WAT +ATOM 11131 H2 TIP3 1607 27.831 -11.918 -34.100 1.00 0.00 WAT +ATOM 11132 OH2 TIP3 1608 16.960 -11.183 -33.113 1.00 0.00 WAT +ATOM 11133 H1 TIP3 1608 16.693 -12.084 -33.343 1.00 0.00 WAT +ATOM 11134 H2 TIP3 1608 17.861 -11.318 -32.776 1.00 0.00 WAT +ATOM 11135 OH2 TIP3 1609 14.044 -17.669 -37.576 1.00 0.00 WAT +ATOM 11136 H1 TIP3 1609 13.504 -16.860 -37.530 1.00 0.00 WAT +ATOM 11137 H2 TIP3 1609 13.401 -18.285 -37.958 1.00 0.00 WAT +ATOM 11138 OH2 TIP3 1610 14.554 -15.276 -35.683 1.00 0.00 WAT +ATOM 11139 H1 TIP3 1610 14.836 -16.111 -35.260 1.00 0.00 WAT +ATOM 11140 H2 TIP3 1610 15.368 -14.932 -36.064 1.00 0.00 WAT +ATOM 11141 OH2 TIP3 1611 24.550 -7.268 -34.318 1.00 0.00 WAT +ATOM 11142 H1 TIP3 1611 25.133 -7.983 -34.639 1.00 0.00 WAT +ATOM 11143 H2 TIP3 1611 24.289 -7.601 -33.449 1.00 0.00 WAT +ATOM 11144 OH2 TIP3 1612 22.333 -12.869 -32.653 1.00 0.00 WAT +ATOM 11145 H1 TIP3 1612 22.702 -13.593 -33.190 1.00 0.00 WAT +ATOM 11146 H2 TIP3 1612 23.118 -12.677 -32.108 1.00 0.00 WAT +ATOM 11147 OH2 TIP3 1613 30.746 -21.426 -31.842 1.00 0.00 WAT +ATOM 11148 H1 TIP3 1613 31.164 -20.805 -31.233 1.00 0.00 WAT +ATOM 11149 H2 TIP3 1613 31.282 -21.279 -32.645 1.00 0.00 WAT +ATOM 11150 OH2 TIP3 1614 25.626 -18.526 -32.131 1.00 0.00 WAT +ATOM 11151 H1 TIP3 1614 25.722 -19.489 -32.057 1.00 0.00 WAT +ATOM 11152 H2 TIP3 1614 25.519 -18.412 -33.089 1.00 0.00 WAT +ATOM 11153 OH2 TIP3 1615 18.614 -20.381 -35.154 1.00 0.00 WAT +ATOM 11154 H1 TIP3 1615 18.548 -19.641 -35.760 1.00 0.00 WAT +ATOM 11155 H2 TIP3 1615 18.311 -21.093 -35.750 1.00 0.00 WAT +ATOM 11156 OH2 TIP3 1616 26.407 -20.343 -36.731 1.00 0.00 WAT +ATOM 11157 H1 TIP3 1616 26.987 -20.780 -36.069 1.00 0.00 WAT +ATOM 11158 H2 TIP3 1616 27.072 -19.925 -37.299 1.00 0.00 WAT +ATOM 11159 OH2 TIP3 1617 15.598 -17.705 -34.741 1.00 0.00 WAT +ATOM 11160 H1 TIP3 1617 15.927 -18.244 -33.994 1.00 0.00 WAT +ATOM 11161 H2 TIP3 1617 15.159 -18.374 -35.292 1.00 0.00 WAT +ATOM 11162 OH2 TIP3 1618 20.184 -16.647 -35.430 1.00 0.00 WAT +ATOM 11163 H1 TIP3 1618 21.084 -16.700 -35.063 1.00 0.00 WAT +ATOM 11164 H2 TIP3 1618 20.006 -17.581 -35.524 1.00 0.00 WAT +ATOM 11165 OH2 TIP3 1619 31.204 -20.148 -29.279 1.00 0.00 WAT +ATOM 11166 H1 TIP3 1619 31.146 -19.261 -29.677 1.00 0.00 WAT +ATOM 11167 H2 TIP3 1619 31.678 -19.967 -28.446 1.00 0.00 WAT +ATOM 11168 OH2 TIP3 1620 17.193 -21.612 -30.673 1.00 0.00 WAT +ATOM 11169 H1 TIP3 1620 16.813 -21.103 -31.398 1.00 0.00 WAT +ATOM 11170 H2 TIP3 1620 16.569 -21.389 -29.961 1.00 0.00 WAT +ATOM 11171 OH2 TIP3 1621 24.773 -12.028 -37.478 1.00 0.00 WAT +ATOM 11172 H1 TIP3 1621 24.616 -12.150 -38.418 1.00 0.00 WAT +ATOM 11173 H2 TIP3 1621 24.428 -11.131 -37.320 1.00 0.00 WAT +ATOM 11174 OH2 TIP3 1622 20.288 -13.848 -30.795 1.00 0.00 WAT +ATOM 11175 H1 TIP3 1622 19.561 -13.258 -30.498 1.00 0.00 WAT +ATOM 11176 H2 TIP3 1622 20.920 -13.214 -31.176 1.00 0.00 WAT +ATOM 11177 OH2 TIP3 1623 28.227 -21.086 -34.687 1.00 0.00 WAT +ATOM 11178 H1 TIP3 1623 27.910 -21.716 -34.026 1.00 0.00 WAT +ATOM 11179 H2 TIP3 1623 28.783 -20.504 -34.146 1.00 0.00 WAT +ATOM 11180 OH2 TIP3 1624 16.952 -19.669 -32.998 1.00 0.00 WAT +ATOM 11181 H1 TIP3 1624 17.542 -19.162 -32.397 1.00 0.00 WAT +ATOM 11182 H2 TIP3 1624 17.605 -20.041 -33.626 1.00 0.00 WAT +ATOM 11183 OH2 TIP3 1625 18.283 -11.970 -30.113 1.00 0.00 WAT +ATOM 11184 H1 TIP3 1625 18.249 -11.012 -30.299 1.00 0.00 WAT +ATOM 11185 H2 TIP3 1625 17.446 -12.084 -29.622 1.00 0.00 WAT +ATOM 11186 OH2 TIP3 1626 14.604 -12.283 -39.180 1.00 0.00 WAT +ATOM 11187 H1 TIP3 1626 14.435 -11.886 -40.059 1.00 0.00 WAT +ATOM 11188 H2 TIP3 1626 14.755 -11.509 -38.605 1.00 0.00 WAT +ATOM 11189 OH2 TIP3 1627 28.109 -10.886 -32.191 1.00 0.00 WAT +ATOM 11190 H1 TIP3 1627 27.168 -10.652 -32.220 1.00 0.00 WAT +ATOM 11191 H2 TIP3 1627 28.528 -10.033 -32.393 1.00 0.00 WAT +ATOM 11192 OH2 TIP3 1628 21.481 -24.208 -33.800 1.00 0.00 WAT +ATOM 11193 H1 TIP3 1628 21.262 -25.159 -33.827 1.00 0.00 WAT +ATOM 11194 H2 TIP3 1628 20.676 -23.829 -33.393 1.00 0.00 WAT +ATOM 11195 OH2 TIP3 1629 26.346 -8.864 -35.840 1.00 0.00 WAT +ATOM 11196 H1 TIP3 1629 26.830 -9.666 -36.127 1.00 0.00 WAT +ATOM 11197 H2 TIP3 1629 27.045 -8.188 -35.930 1.00 0.00 WAT +ATOM 11198 OH2 TIP3 1630 27.768 -10.981 -37.175 1.00 0.00 WAT +ATOM 11199 H1 TIP3 1630 27.367 -11.507 -37.878 1.00 0.00 WAT +ATOM 11200 H2 TIP3 1630 27.769 -11.613 -36.430 1.00 0.00 WAT +ATOM 11201 OH2 TIP3 1631 23.654 -15.302 -39.043 1.00 0.00 WAT +ATOM 11202 H1 TIP3 1631 22.990 -14.696 -39.422 1.00 0.00 WAT +ATOM 11203 H2 TIP3 1631 24.384 -15.222 -39.677 1.00 0.00 WAT +ATOM 11204 OH2 TIP3 1632 23.817 -17.077 -42.048 1.00 0.00 WAT +ATOM 11205 H1 TIP3 1632 24.505 -16.753 -41.442 1.00 0.00 WAT +ATOM 11206 H2 TIP3 1632 24.354 -17.681 -42.607 1.00 0.00 WAT +ATOM 11207 OH2 TIP3 1633 30.985 -16.023 -30.753 1.00 0.00 WAT +ATOM 11208 H1 TIP3 1633 30.342 -15.288 -30.648 1.00 0.00 WAT +ATOM 11209 H2 TIP3 1633 31.514 -15.679 -31.501 1.00 0.00 WAT +ATOM 11210 OH2 TIP3 1634 27.115 -15.305 -37.940 1.00 0.00 WAT +ATOM 11211 H1 TIP3 1634 26.445 -15.101 -37.250 1.00 0.00 WAT +ATOM 11212 H2 TIP3 1634 27.745 -15.848 -37.430 1.00 0.00 WAT +ATOM 11213 OH2 TIP3 1635 27.020 -17.005 -29.015 1.00 0.00 WAT +ATOM 11214 H1 TIP3 1635 26.857 -16.365 -28.302 1.00 0.00 WAT +ATOM 11215 H2 TIP3 1635 26.350 -16.728 -29.663 1.00 0.00 WAT +ATOM 11216 OH2 TIP3 1636 20.054 -11.176 -33.417 1.00 0.00 WAT +ATOM 11217 H1 TIP3 1636 20.082 -11.461 -34.337 1.00 0.00 WAT +ATOM 11218 H2 TIP3 1636 20.870 -11.574 -33.057 1.00 0.00 WAT +ATOM 11219 OH2 TIP3 1637 19.269 -15.565 -32.774 1.00 0.00 WAT +ATOM 11220 H1 TIP3 1637 19.997 -15.627 -33.405 1.00 0.00 WAT +ATOM 11221 H2 TIP3 1637 19.671 -15.074 -32.028 1.00 0.00 WAT +ATOM 11222 OH2 TIP3 1638 25.219 -10.182 -32.107 1.00 0.00 WAT +ATOM 11223 H1 TIP3 1638 25.301 -9.501 -31.416 1.00 0.00 WAT +ATOM 11224 H2 TIP3 1638 25.066 -11.006 -31.615 1.00 0.00 WAT +ATOM 11225 OH2 TIP3 1639 20.156 -11.379 -27.855 1.00 0.00 WAT +ATOM 11226 H1 TIP3 1639 19.657 -10.734 -27.322 1.00 0.00 WAT +ATOM 11227 H2 TIP3 1639 19.486 -11.650 -28.506 1.00 0.00 WAT +ATOM 11228 OH2 TIP3 1640 26.196 -15.816 -40.575 1.00 0.00 WAT +ATOM 11229 H1 TIP3 1640 26.628 -15.570 -39.730 1.00 0.00 WAT +ATOM 11230 H2 TIP3 1640 26.811 -15.411 -41.220 1.00 0.00 WAT +ATOM 11231 OH2 TIP3 1641 16.981 -14.792 -28.874 1.00 0.00 WAT +ATOM 11232 H1 TIP3 1641 17.102 -14.435 -27.977 1.00 0.00 WAT +ATOM 11233 H2 TIP3 1641 16.163 -15.302 -28.776 1.00 0.00 WAT +ATOM 11234 OH2 TIP3 1642 23.498 -9.248 -36.933 1.00 0.00 WAT +ATOM 11235 H1 TIP3 1642 24.053 -8.976 -36.190 1.00 0.00 WAT +ATOM 11236 H2 TIP3 1642 23.070 -8.419 -37.196 1.00 0.00 WAT +ATOM 11237 OH2 TIP3 1643 18.247 -9.205 -27.015 1.00 0.00 WAT +ATOM 11238 H1 TIP3 1643 18.120 -9.190 -27.978 1.00 0.00 WAT +ATOM 11239 H2 TIP3 1643 17.371 -9.477 -26.678 1.00 0.00 WAT +ATOM 11240 OH2 TIP3 1644 29.566 -24.111 -40.423 1.00 0.00 WAT +ATOM 11241 H1 TIP3 1644 28.621 -23.954 -40.248 1.00 0.00 WAT +ATOM 11242 H2 TIP3 1644 29.768 -23.396 -41.040 1.00 0.00 WAT +ATOM 11243 OH2 TIP3 1645 30.664 -9.871 -42.467 1.00 0.00 WAT +ATOM 11244 H1 TIP3 1645 31.004 -9.053 -42.071 1.00 0.00 WAT +ATOM 11245 H2 TIP3 1645 31.431 -10.469 -42.434 1.00 0.00 WAT +ATOM 11246 OH2 TIP3 1646 13.710 -13.055 -29.922 1.00 0.00 WAT +ATOM 11247 H1 TIP3 1646 13.246 -13.099 -30.781 1.00 0.00 WAT +ATOM 11248 H2 TIP3 1646 13.821 -13.997 -29.701 1.00 0.00 WAT +ATOM 11249 OH2 TIP3 1647 13.769 -10.166 -32.979 1.00 0.00 WAT +ATOM 11250 H1 TIP3 1647 14.690 -10.450 -32.894 1.00 0.00 WAT +ATOM 11251 H2 TIP3 1647 13.684 -9.575 -32.217 1.00 0.00 WAT +ATOM 11252 OH2 TIP3 1648 22.783 -10.334 -28.414 1.00 0.00 WAT +ATOM 11253 H1 TIP3 1648 22.868 -9.521 -27.877 1.00 0.00 WAT +ATOM 11254 H2 TIP3 1648 21.889 -10.643 -28.160 1.00 0.00 WAT +ATOM 11255 OH2 TIP3 1649 23.091 -6.543 -38.467 1.00 0.00 WAT +ATOM 11256 H1 TIP3 1649 23.101 -6.431 -39.434 1.00 0.00 WAT +ATOM 11257 H2 TIP3 1649 23.143 -5.629 -38.144 1.00 0.00 WAT +ATOM 11258 OH2 TIP3 1650 16.874 -7.405 -36.810 1.00 0.00 WAT +ATOM 11259 H1 TIP3 1650 17.049 -7.838 -35.949 1.00 0.00 WAT +ATOM 11260 H2 TIP3 1650 16.019 -7.794 -37.037 1.00 0.00 WAT +ATOM 11261 OH2 TIP3 1651 26.333 -6.909 -41.349 1.00 0.00 WAT +ATOM 11262 H1 TIP3 1651 26.775 -7.486 -42.010 1.00 0.00 WAT +ATOM 11263 H2 TIP3 1651 26.364 -7.469 -40.556 1.00 0.00 WAT +ATOM 11264 OH2 TIP3 1652 25.817 -7.660 -38.619 1.00 0.00 WAT +ATOM 11265 H1 TIP3 1652 24.888 -7.490 -38.390 1.00 0.00 WAT +ATOM 11266 H2 TIP3 1652 26.054 -8.330 -37.959 1.00 0.00 WAT +ATOM 11267 OH2 TIP3 1653 28.965 -18.238 -26.834 1.00 0.00 WAT +ATOM 11268 H1 TIP3 1653 28.272 -17.918 -27.435 1.00 0.00 WAT +ATOM 11269 H2 TIP3 1653 29.041 -19.169 -27.043 1.00 0.00 WAT +ATOM 11270 OH2 TIP3 1654 15.892 -11.536 -28.654 1.00 0.00 WAT +ATOM 11271 H1 TIP3 1654 16.185 -12.010 -27.847 1.00 0.00 WAT +ATOM 11272 H2 TIP3 1654 15.176 -12.107 -28.987 1.00 0.00 WAT +ATOM 11273 OH2 TIP3 1655 19.038 -22.960 -32.857 1.00 0.00 WAT +ATOM 11274 H1 TIP3 1655 18.189 -23.087 -33.320 1.00 0.00 WAT +ATOM 11275 H2 TIP3 1655 18.787 -22.296 -32.197 1.00 0.00 WAT +ATOM 11276 OH2 TIP3 1656 23.482 -23.475 -29.288 1.00 0.00 WAT +ATOM 11277 H1 TIP3 1656 23.988 -23.976 -28.619 1.00 0.00 WAT +ATOM 11278 H2 TIP3 1656 22.565 -23.770 -29.134 1.00 0.00 WAT +ATOM 11279 OH2 TIP3 1657 28.392 -15.025 -42.493 1.00 0.00 WAT +ATOM 11280 H1 TIP3 1657 27.992 -15.210 -43.356 1.00 0.00 WAT +ATOM 11281 H2 TIP3 1657 28.738 -14.139 -42.662 1.00 0.00 WAT +ATOM 11282 OH2 TIP3 1658 23.295 -21.122 -42.161 1.00 0.00 WAT +ATOM 11283 H1 TIP3 1658 22.743 -21.080 -41.370 1.00 0.00 WAT +ATOM 11284 H2 TIP3 1658 22.841 -21.805 -42.669 1.00 0.00 WAT +ATOM 11285 OH2 TIP3 1659 18.812 -18.350 -31.373 1.00 0.00 WAT +ATOM 11286 H1 TIP3 1659 18.190 -18.331 -30.611 1.00 0.00 WAT +ATOM 11287 H2 TIP3 1659 18.803 -17.421 -31.659 1.00 0.00 WAT +ATOM 11288 OH2 TIP3 1660 24.544 -17.691 -37.871 1.00 0.00 WAT +ATOM 11289 H1 TIP3 1660 24.160 -16.853 -38.204 1.00 0.00 WAT +ATOM 11290 H2 TIP3 1660 25.219 -17.874 -38.548 1.00 0.00 WAT +ATOM 11291 OH2 TIP3 1661 23.692 -17.447 -26.487 1.00 0.00 WAT +ATOM 11292 H1 TIP3 1661 23.178 -18.196 -26.121 1.00 0.00 WAT +ATOM 11293 H2 TIP3 1661 24.560 -17.575 -26.060 1.00 0.00 WAT +ATOM 11294 OH2 TIP3 1662 25.282 -18.267 -35.039 1.00 0.00 WAT +ATOM 11295 H1 TIP3 1662 25.054 -17.694 -35.798 1.00 0.00 WAT +ATOM 11296 H2 TIP3 1662 25.533 -19.077 -35.529 1.00 0.00 WAT +ATOM 11297 OH2 TIP3 1663 20.030 -20.730 -43.150 1.00 0.00 WAT +ATOM 11298 H1 TIP3 1663 19.676 -20.977 -42.275 1.00 0.00 WAT +ATOM 11299 H2 TIP3 1663 19.284 -20.208 -43.502 1.00 0.00 WAT +ATOM 11300 OH2 TIP3 1664 13.420 -20.427 -36.070 1.00 0.00 WAT +ATOM 11301 H1 TIP3 1664 13.812 -20.769 -35.244 1.00 0.00 WAT +ATOM 11302 H2 TIP3 1664 13.657 -21.085 -36.745 1.00 0.00 WAT +ATOM 11303 OH2 TIP3 1665 14.743 -20.213 -40.375 1.00 0.00 WAT +ATOM 11304 H1 TIP3 1665 15.261 -19.721 -41.043 1.00 0.00 WAT +ATOM 11305 H2 TIP3 1665 14.029 -19.577 -40.187 1.00 0.00 WAT +ATOM 11306 OH2 TIP3 1666 24.435 -16.571 -30.609 1.00 0.00 WAT +ATOM 11307 H1 TIP3 1666 24.879 -17.302 -31.095 1.00 0.00 WAT +ATOM 11308 H2 TIP3 1666 24.101 -17.035 -29.827 1.00 0.00 WAT +ATOM 11309 OH2 TIP3 1667 21.669 -20.624 -35.564 1.00 0.00 WAT +ATOM 11310 H1 TIP3 1667 20.733 -20.718 -35.323 1.00 0.00 WAT +ATOM 11311 H2 TIP3 1667 22.110 -20.836 -34.723 1.00 0.00 WAT +ATOM 11312 OH2 TIP3 1668 16.604 -19.032 -37.112 1.00 0.00 WAT +ATOM 11313 H1 TIP3 1668 15.652 -18.991 -37.341 1.00 0.00 WAT +ATOM 11314 H2 TIP3 1668 16.844 -19.927 -37.425 1.00 0.00 WAT +ATOM 11315 OH2 TIP3 1669 19.653 -18.571 -38.870 1.00 0.00 WAT +ATOM 11316 H1 TIP3 1669 20.573 -18.886 -38.912 1.00 0.00 WAT +ATOM 11317 H2 TIP3 1669 19.423 -18.436 -39.810 1.00 0.00 WAT +ATOM 11318 OH2 TIP3 1670 26.200 -21.645 -32.482 1.00 0.00 WAT +ATOM 11319 H1 TIP3 1670 25.589 -21.542 -31.725 1.00 0.00 WAT +ATOM 11320 H2 TIP3 1670 25.593 -21.911 -33.190 1.00 0.00 WAT +ATOM 11321 OH2 TIP3 1671 18.543 -18.022 -41.487 1.00 0.00 WAT +ATOM 11322 H1 TIP3 1671 17.844 -18.386 -42.058 1.00 0.00 WAT +ATOM 11323 H2 TIP3 1671 19.203 -17.723 -42.131 1.00 0.00 WAT +ATOM 11324 OH2 TIP3 1672 29.050 -5.917 -25.888 1.00 0.00 WAT +ATOM 11325 H1 TIP3 1672 29.317 -5.546 -26.741 1.00 0.00 WAT +ATOM 11326 H2 TIP3 1672 29.719 -5.556 -25.289 1.00 0.00 WAT +ATOM 11327 OH2 TIP3 1673 16.968 -13.044 -26.454 1.00 0.00 WAT +ATOM 11328 H1 TIP3 1673 17.649 -12.995 -25.749 1.00 0.00 WAT +ATOM 11329 H2 TIP3 1673 16.171 -13.129 -25.903 1.00 0.00 WAT +ATOM 11330 OH2 TIP3 1674 22.522 -17.958 -33.881 1.00 0.00 WAT +ATOM 11331 H1 TIP3 1674 23.290 -18.377 -34.298 1.00 0.00 WAT +ATOM 11332 H2 TIP3 1674 22.387 -18.524 -33.094 1.00 0.00 WAT +ATOM 11333 OH2 TIP3 1675 17.982 -21.643 -37.574 1.00 0.00 WAT +ATOM 11334 H1 TIP3 1675 17.377 -22.396 -37.441 1.00 0.00 WAT +ATOM 11335 H2 TIP3 1675 18.777 -22.084 -37.911 1.00 0.00 WAT +ATOM 11336 OH2 TIP3 1676 21.686 -19.518 -31.527 1.00 0.00 WAT +ATOM 11337 H1 TIP3 1676 20.849 -19.035 -31.454 1.00 0.00 WAT +ATOM 11338 H2 TIP3 1676 22.128 -19.296 -30.679 1.00 0.00 WAT +ATOM 11339 OH2 TIP3 1677 21.763 -13.240 -39.571 1.00 0.00 WAT +ATOM 11340 H1 TIP3 1677 21.018 -13.755 -39.946 1.00 0.00 WAT +ATOM 11341 H2 TIP3 1677 21.581 -13.277 -38.608 1.00 0.00 WAT +ATOM 11342 OH2 TIP3 1678 29.059 -13.972 -30.735 1.00 0.00 WAT +ATOM 11343 H1 TIP3 1678 29.570 -13.381 -31.332 1.00 0.00 WAT +ATOM 11344 H2 TIP3 1678 28.226 -14.058 -31.231 1.00 0.00 WAT +ATOM 11345 OH2 TIP3 1679 25.958 -20.477 -41.834 1.00 0.00 WAT +ATOM 11346 H1 TIP3 1679 24.978 -20.479 -41.869 1.00 0.00 WAT +ATOM 11347 H2 TIP3 1679 26.175 -19.709 -41.269 1.00 0.00 WAT +ATOM 11348 OH2 TIP3 1680 23.493 -13.230 -28.293 1.00 0.00 WAT +ATOM 11349 H1 TIP3 1680 23.187 -13.582 -27.444 1.00 0.00 WAT +ATOM 11350 H2 TIP3 1680 23.163 -12.318 -28.266 1.00 0.00 WAT +ATOM 11351 OH2 TIP3 1681 26.562 -18.617 -39.879 1.00 0.00 WAT +ATOM 11352 H1 TIP3 1681 27.427 -18.800 -39.460 1.00 0.00 WAT +ATOM 11353 H2 TIP3 1681 26.717 -17.750 -40.297 1.00 0.00 WAT +ATOM 11354 OH2 TIP3 1682 17.123 -14.244 -34.255 1.00 0.00 WAT +ATOM 11355 H1 TIP3 1682 18.040 -13.969 -34.336 1.00 0.00 WAT +ATOM 11356 H2 TIP3 1682 17.182 -14.817 -33.470 1.00 0.00 WAT +ATOM 11357 OH2 TIP3 1683 24.237 -11.895 -40.669 1.00 0.00 WAT +ATOM 11358 H1 TIP3 1683 23.942 -11.007 -40.382 1.00 0.00 WAT +ATOM 11359 H2 TIP3 1683 23.462 -12.427 -40.414 1.00 0.00 WAT +ATOM 11360 OH2 TIP3 1684 13.963 -15.471 -28.356 1.00 0.00 WAT +ATOM 11361 H1 TIP3 1684 14.428 -15.961 -27.648 1.00 0.00 WAT +ATOM 11362 H2 TIP3 1684 13.712 -16.179 -28.969 1.00 0.00 WAT +ATOM 11363 OH2 TIP3 1685 21.172 -16.013 -26.516 1.00 0.00 WAT +ATOM 11364 H1 TIP3 1685 20.678 -16.381 -27.278 1.00 0.00 WAT +ATOM 11365 H2 TIP3 1685 22.069 -16.356 -26.677 1.00 0.00 WAT +ATOM 11366 OH2 TIP3 1686 25.787 -10.587 -28.707 1.00 0.00 WAT +ATOM 11367 H1 TIP3 1686 24.850 -10.530 -28.960 1.00 0.00 WAT +ATOM 11368 H2 TIP3 1686 25.732 -10.335 -27.762 1.00 0.00 WAT +ATOM 11369 OH2 TIP3 1687 31.263 -18.497 -39.982 1.00 0.00 WAT +ATOM 11370 H1 TIP3 1687 30.650 -18.711 -40.710 1.00 0.00 WAT +ATOM 11371 H2 TIP3 1687 31.387 -17.550 -40.175 1.00 0.00 WAT +ATOM 11372 OH2 TIP3 1688 29.462 -9.969 -39.915 1.00 0.00 WAT +ATOM 11373 H1 TIP3 1688 29.249 -10.757 -39.396 1.00 0.00 WAT +ATOM 11374 H2 TIP3 1688 29.851 -10.343 -40.722 1.00 0.00 WAT +ATOM 11375 OH2 TIP3 1689 26.739 -14.661 -32.436 1.00 0.00 WAT +ATOM 11376 H1 TIP3 1689 25.821 -14.798 -32.723 1.00 0.00 WAT +ATOM 11377 H2 TIP3 1689 27.199 -15.340 -32.967 1.00 0.00 WAT +ATOM 11378 OH2 TIP3 1690 19.290 -10.615 -36.526 1.00 0.00 WAT +ATOM 11379 H1 TIP3 1690 19.762 -9.773 -36.643 1.00 0.00 WAT +ATOM 11380 H2 TIP3 1690 18.388 -10.351 -36.751 1.00 0.00 WAT +ATOM 11381 OH2 TIP3 1691 15.435 -15.557 -41.973 1.00 0.00 WAT +ATOM 11382 H1 TIP3 1691 15.959 -14.989 -41.372 1.00 0.00 WAT +ATOM 11383 H2 TIP3 1691 14.524 -15.382 -41.671 1.00 0.00 WAT +ATOM 11384 OH2 TIP3 1692 20.911 -13.076 -36.837 1.00 0.00 WAT +ATOM 11385 H1 TIP3 1692 20.765 -12.121 -36.742 1.00 0.00 WAT +ATOM 11386 H2 TIP3 1692 20.123 -13.438 -36.430 1.00 0.00 WAT +ATOM 11387 OH2 TIP3 1693 21.308 -8.615 -30.564 1.00 0.00 WAT +ATOM 11388 H1 TIP3 1693 21.871 -7.864 -30.820 1.00 0.00 WAT +ATOM 11389 H2 TIP3 1693 21.906 -9.106 -29.977 1.00 0.00 WAT +ATOM 11390 OH2 TIP3 1694 19.746 -7.674 -37.326 1.00 0.00 WAT +ATOM 11391 H1 TIP3 1694 18.791 -7.516 -37.243 1.00 0.00 WAT +ATOM 11392 H2 TIP3 1694 20.108 -6.803 -37.075 1.00 0.00 WAT +ATOM 11393 OH2 TIP3 1695 24.783 -12.865 -30.900 1.00 0.00 WAT +ATOM 11394 H1 TIP3 1695 24.446 -13.173 -30.037 1.00 0.00 WAT +ATOM 11395 H2 TIP3 1695 25.491 -13.503 -31.088 1.00 0.00 WAT +ATOM 11396 OH2 TIP3 1696 26.863 -11.606 -41.949 1.00 0.00 WAT +ATOM 11397 H1 TIP3 1696 27.374 -12.013 -41.225 1.00 0.00 WAT +ATOM 11398 H2 TIP3 1696 25.971 -11.686 -41.577 1.00 0.00 WAT +ATOM 11399 OH2 TIP3 1697 28.054 -8.687 -28.443 1.00 0.00 WAT +ATOM 11400 H1 TIP3 1697 27.199 -8.935 -28.845 1.00 0.00 WAT +ATOM 11401 H2 TIP3 1697 28.178 -7.786 -28.788 1.00 0.00 WAT +ATOM 11402 OH2 TIP3 1698 31.755 -7.138 -41.582 1.00 0.00 WAT +ATOM 11403 H1 TIP3 1698 32.457 -6.462 -41.459 1.00 0.00 WAT +ATOM 11404 H2 TIP3 1698 30.956 -6.608 -41.379 1.00 0.00 WAT +ATOM 11405 OH2 TIP3 1699 27.847 -12.962 -39.650 1.00 0.00 WAT +ATOM 11406 H1 TIP3 1699 27.604 -13.694 -39.056 1.00 0.00 WAT +ATOM 11407 H2 TIP3 1699 28.823 -13.004 -39.612 1.00 0.00 WAT +ATOM 11408 OH2 TIP3 1700 15.288 -9.186 -30.508 1.00 0.00 WAT +ATOM 11409 H1 TIP3 1700 15.551 -10.092 -30.285 1.00 0.00 WAT +ATOM 11410 H2 TIP3 1700 15.473 -8.744 -29.669 1.00 0.00 WAT +ATOM 11411 OH2 TIP3 1701 21.362 -10.538 -43.269 1.00 0.00 WAT +ATOM 11412 H1 TIP3 1701 21.746 -11.386 -43.554 1.00 0.00 WAT +ATOM 11413 H2 TIP3 1701 20.808 -10.831 -42.520 1.00 0.00 WAT +ATOM 11414 OH2 TIP3 1702 19.915 -10.985 -40.738 1.00 0.00 WAT +ATOM 11415 H1 TIP3 1702 20.478 -11.507 -40.148 1.00 0.00 WAT +ATOM 11416 H2 TIP3 1702 20.135 -10.065 -40.493 1.00 0.00 WAT +ATOM 11417 OH2 TIP3 1703 16.798 -13.831 -40.144 1.00 0.00 WAT +ATOM 11418 H1 TIP3 1703 16.065 -13.342 -39.721 1.00 0.00 WAT +ATOM 11419 H2 TIP3 1703 17.301 -13.112 -40.551 1.00 0.00 WAT +ATOM 11420 OH2 TIP3 1704 24.814 -21.036 -30.135 1.00 0.00 WAT +ATOM 11421 H1 TIP3 1704 24.976 -20.813 -29.204 1.00 0.00 WAT +ATOM 11422 H2 TIP3 1704 24.080 -21.669 -30.029 1.00 0.00 WAT +ATOM 11423 OH2 TIP3 1705 25.041 -21.508 -39.215 1.00 0.00 WAT +ATOM 11424 H1 TIP3 1705 25.380 -21.036 -39.994 1.00 0.00 WAT +ATOM 11425 H2 TIP3 1705 25.589 -21.137 -38.506 1.00 0.00 WAT +ATOM 11426 OH2 TIP3 1706 22.876 -9.406 -40.280 1.00 0.00 WAT +ATOM 11427 H1 TIP3 1706 22.105 -8.874 -40.029 1.00 0.00 WAT +ATOM 11428 H2 TIP3 1706 23.409 -8.751 -40.748 1.00 0.00 WAT +ATOM 11429 OH2 TIP3 1707 22.436 -19.650 -38.181 1.00 0.00 WAT +ATOM 11430 H1 TIP3 1707 23.241 -19.099 -38.096 1.00 0.00 WAT +ATOM 11431 H2 TIP3 1707 22.224 -19.827 -37.246 1.00 0.00 WAT +ATOM 11432 OH2 TIP3 1708 22.910 -18.765 -29.044 1.00 0.00 WAT +ATOM 11433 H1 TIP3 1708 22.838 -18.218 -28.244 1.00 0.00 WAT +ATOM 11434 H2 TIP3 1708 23.523 -19.449 -28.746 1.00 0.00 WAT +ATOM 11435 OH2 TIP3 1709 23.147 -22.613 -37.242 1.00 0.00 WAT +ATOM 11436 H1 TIP3 1709 22.956 -21.940 -36.564 1.00 0.00 WAT +ATOM 11437 H2 TIP3 1709 23.873 -22.181 -37.735 1.00 0.00 WAT +ATOM 11438 OH2 TIP3 1710 20.073 -8.208 -40.249 1.00 0.00 WAT +ATOM 11439 H1 TIP3 1710 20.123 -7.357 -40.732 1.00 0.00 WAT +ATOM 11440 H2 TIP3 1710 19.955 -7.916 -39.327 1.00 0.00 WAT +ATOM 11441 OH2 TIP3 1711 18.888 -21.463 -40.774 1.00 0.00 WAT +ATOM 11442 H1 TIP3 1711 18.715 -20.807 -40.086 1.00 0.00 WAT +ATOM 11443 H2 TIP3 1711 19.643 -21.958 -40.400 1.00 0.00 WAT +ATOM 11444 OH2 TIP3 1712 27.641 -16.869 -34.103 1.00 0.00 WAT +ATOM 11445 H1 TIP3 1712 26.825 -17.332 -34.364 1.00 0.00 WAT +ATOM 11446 H2 TIP3 1712 28.149 -17.578 -33.654 1.00 0.00 WAT +ATOM 11447 OH2 TIP3 1713 17.157 -10.738 -41.543 1.00 0.00 WAT +ATOM 11448 H1 TIP3 1713 17.972 -10.439 -41.108 1.00 0.00 WAT +ATOM 11449 H2 TIP3 1713 17.542 -11.266 -42.262 1.00 0.00 WAT +ATOM 11450 OH2 TIP3 1714 15.465 -18.432 -42.501 1.00 0.00 WAT +ATOM 11451 H1 TIP3 1714 15.568 -17.469 -42.379 1.00 0.00 WAT +ATOM 11452 H2 TIP3 1714 14.584 -18.474 -42.916 1.00 0.00 WAT +ATOM 11453 OH2 TIP3 1715 28.909 -7.966 -32.530 1.00 0.00 WAT +ATOM 11454 H1 TIP3 1715 28.622 -7.235 -33.108 1.00 0.00 WAT +ATOM 11455 H2 TIP3 1715 29.865 -7.782 -32.496 1.00 0.00 WAT +ATOM 11456 OH2 TIP3 1716 16.357 -23.541 -33.702 1.00 0.00 WAT +ATOM 11457 H1 TIP3 1716 16.125 -23.568 -34.650 1.00 0.00 WAT +ATOM 11458 H2 TIP3 1716 15.982 -24.380 -33.367 1.00 0.00 WAT +ATOM 11459 OH2 TIP3 1717 15.196 -10.017 -37.464 1.00 0.00 WAT +ATOM 11460 H1 TIP3 1717 14.399 -9.516 -37.245 1.00 0.00 WAT +ATOM 11461 H2 TIP3 1717 15.566 -9.504 -38.196 1.00 0.00 WAT +ATOM 11462 OH2 TIP3 1718 14.538 -7.100 -26.236 1.00 0.00 WAT +ATOM 11463 H1 TIP3 1718 15.155 -7.378 -25.531 1.00 0.00 WAT +ATOM 11464 H2 TIP3 1718 14.180 -7.962 -26.528 1.00 0.00 WAT +ATOM 11465 OH2 TIP3 1719 19.288 -8.038 -24.518 1.00 0.00 WAT +ATOM 11466 H1 TIP3 1719 19.968 -8.680 -24.264 1.00 0.00 WAT +ATOM 11467 H2 TIP3 1719 19.073 -8.334 -25.417 1.00 0.00 WAT +ATOM 11468 OH2 TIP3 1720 23.507 -8.702 -43.314 1.00 0.00 WAT +ATOM 11469 H1 TIP3 1720 22.711 -9.269 -43.260 1.00 0.00 WAT +ATOM 11470 H2 TIP3 1720 24.178 -9.372 -43.516 1.00 0.00 WAT +ATOM 11471 OH2 TIP3 1721 25.804 -9.876 -26.025 1.00 0.00 WAT +ATOM 11472 H1 TIP3 1721 25.352 -10.598 -25.543 1.00 0.00 WAT +ATOM 11473 H2 TIP3 1721 26.458 -9.565 -25.370 1.00 0.00 WAT +ATOM 11474 OH2 TIP3 1722 27.347 -8.969 -42.882 1.00 0.00 WAT +ATOM 11475 H1 TIP3 1722 27.632 -9.784 -42.444 1.00 0.00 WAT +ATOM 11476 H2 TIP3 1722 28.186 -8.562 -43.176 1.00 0.00 WAT +ATOM 11477 OH2 TIP3 1723 14.523 -13.516 -25.117 1.00 0.00 WAT +ATOM 11478 H1 TIP3 1723 14.695 -14.402 -25.488 1.00 0.00 WAT +ATOM 11479 H2 TIP3 1723 13.804 -13.208 -25.703 1.00 0.00 WAT +ATOM 11480 OH2 TIP3 1724 18.815 -12.913 -43.017 1.00 0.00 WAT +ATOM 11481 H1 TIP3 1724 18.986 -13.662 -42.435 1.00 0.00 WAT +ATOM 11482 H2 TIP3 1724 19.441 -13.054 -43.743 1.00 0.00 WAT +ATOM 11483 OH2 TIP3 1725 21.213 -13.294 -25.839 1.00 0.00 WAT +ATOM 11484 H1 TIP3 1725 20.868 -12.992 -26.694 1.00 0.00 WAT +ATOM 11485 H2 TIP3 1725 21.271 -14.267 -25.968 1.00 0.00 WAT +ATOM 11486 OH2 TIP3 1726 24.115 -11.902 -43.472 1.00 0.00 WAT +ATOM 11487 H1 TIP3 1726 24.291 -11.778 -42.522 1.00 0.00 WAT +ATOM 11488 H2 TIP3 1726 24.775 -12.563 -43.725 1.00 0.00 WAT +ATOM 11489 OH2 TIP3 1727 26.800 -13.377 -28.296 1.00 0.00 WAT +ATOM 11490 H1 TIP3 1727 27.463 -13.108 -28.943 1.00 0.00 WAT +ATOM 11491 H2 TIP3 1727 26.071 -12.760 -28.473 1.00 0.00 WAT +ATOM 11492 OH2 TIP3 1728 15.467 -16.188 -26.008 1.00 0.00 WAT +ATOM 11493 H1 TIP3 1728 16.095 -16.912 -26.176 1.00 0.00 WAT +ATOM 11494 H2 TIP3 1728 15.379 -16.238 -25.046 1.00 0.00 WAT +ATOM 11495 OH2 TIP3 1729 19.881 -15.045 -40.792 1.00 0.00 WAT +ATOM 11496 H1 TIP3 1729 19.218 -15.548 -40.305 1.00 0.00 WAT +ATOM 11497 H2 TIP3 1729 20.238 -15.720 -41.400 1.00 0.00 WAT +ATOM 11498 OH2 TIP3 1730 19.281 -17.149 -28.346 1.00 0.00 WAT +ATOM 11499 H1 TIP3 1730 18.420 -16.698 -28.342 1.00 0.00 WAT +ATOM 11500 H2 TIP3 1730 19.692 -16.812 -29.158 1.00 0.00 WAT +ATOM 11501 OH2 TIP3 1731 21.038 -16.843 -42.746 1.00 0.00 WAT +ATOM 11502 H1 TIP3 1731 21.090 -17.121 -43.673 1.00 0.00 WAT +ATOM 11503 H2 TIP3 1731 21.987 -16.884 -42.497 1.00 0.00 WAT +ATOM 11504 OH2 TIP3 1732 24.373 -14.519 -25.023 1.00 0.00 WAT +ATOM 11505 H1 TIP3 1732 25.290 -14.707 -25.253 1.00 0.00 WAT +ATOM 11506 H2 TIP3 1732 24.103 -15.343 -24.592 1.00 0.00 WAT +ATOM 11507 OH2 TIP3 1733 19.734 -19.906 -27.408 1.00 0.00 WAT +ATOM 11508 H1 TIP3 1733 19.688 -20.588 -28.096 1.00 0.00 WAT +ATOM 11509 H2 TIP3 1733 19.412 -19.118 -27.883 1.00 0.00 WAT +ATOM 11510 OH2 TIP3 1734 19.968 -21.520 -30.029 1.00 0.00 WAT +ATOM 11511 H1 TIP3 1734 20.443 -20.921 -30.627 1.00 0.00 WAT +ATOM 11512 H2 TIP3 1734 19.025 -21.360 -30.232 1.00 0.00 WAT +ATOM 11513 OH2 TIP3 1735 21.602 -16.035 -29.657 1.00 0.00 WAT +ATOM 11514 H1 TIP3 1735 22.455 -16.048 -30.108 1.00 0.00 WAT +ATOM 11515 H2 TIP3 1735 21.268 -15.145 -29.870 1.00 0.00 WAT +ATOM 11516 OH2 TIP3 1736 26.143 -18.072 -24.833 1.00 0.00 WAT +ATOM 11517 H1 TIP3 1736 26.295 -18.995 -24.570 1.00 0.00 WAT +ATOM 11518 H2 TIP3 1736 27.034 -17.699 -24.767 1.00 0.00 WAT +ATOM 11519 OH2 TIP3 1737 27.201 -15.366 -26.498 1.00 0.00 WAT +ATOM 11520 H1 TIP3 1737 26.846 -14.636 -27.053 1.00 0.00 WAT +ATOM 11521 H2 TIP3 1737 28.141 -15.301 -26.744 1.00 0.00 WAT +ATOM 11522 OH2 TIP3 1738 17.921 -18.250 -25.488 1.00 0.00 WAT +ATOM 11523 H1 TIP3 1738 17.243 -18.922 -25.697 1.00 0.00 WAT +ATOM 11524 H2 TIP3 1738 18.614 -18.477 -26.124 1.00 0.00 WAT +ATOM 11525 OH2 TIP3 1739 20.751 -24.134 -29.643 1.00 0.00 WAT +ATOM 11526 H1 TIP3 1739 20.533 -23.186 -29.783 1.00 0.00 WAT +ATOM 11527 H2 TIP3 1739 20.027 -24.564 -30.136 1.00 0.00 WAT +ATOM 11528 OH2 TIP3 1740 22.122 -19.622 -25.898 1.00 0.00 WAT +ATOM 11529 H1 TIP3 1740 21.794 -19.854 -25.011 1.00 0.00 WAT +ATOM 11530 H2 TIP3 1740 21.304 -19.791 -26.414 1.00 0.00 WAT +ATOM 11531 OH2 TIP3 1741 24.699 -20.507 -27.264 1.00 0.00 WAT +ATOM 11532 H1 TIP3 1741 23.863 -20.346 -26.789 1.00 0.00 WAT +ATOM 11533 H2 TIP3 1741 25.199 -21.007 -26.591 1.00 0.00 WAT +ATOM 11534 OH2 TIP3 1742 26.365 -22.018 -25.290 1.00 0.00 WAT +ATOM 11535 H1 TIP3 1742 26.180 -22.963 -25.117 1.00 0.00 WAT +ATOM 11536 H2 TIP3 1742 26.134 -21.600 -24.438 1.00 0.00 WAT +ATOM 11537 OH2 TIP3 1743 16.327 -20.608 -25.774 1.00 0.00 WAT +ATOM 11538 H1 TIP3 1743 16.099 -21.250 -26.460 1.00 0.00 WAT +ATOM 11539 H2 TIP3 1743 16.083 -21.086 -24.964 1.00 0.00 WAT +ATOM 11540 OH2 TIP3 1744 20.547 -24.655 -26.805 1.00 0.00 WAT +ATOM 11541 H1 TIP3 1744 21.145 -25.416 -26.741 1.00 0.00 WAT +ATOM 11542 H2 TIP3 1744 20.536 -24.501 -27.768 1.00 0.00 WAT +ATOM 11543 OH2 TIP3 1745 21.504 -22.801 -24.944 1.00 0.00 WAT +ATOM 11544 H1 TIP3 1745 21.153 -23.382 -25.649 1.00 0.00 WAT +ATOM 11545 H2 TIP3 1745 20.828 -22.103 -24.892 1.00 0.00 WAT +ATOM 11546 OH2 TIP3 1746 20.635 -5.751 -41.720 1.00 0.00 WAT +ATOM 11547 H1 TIP3 1746 21.587 -5.597 -41.617 1.00 0.00 WAT +ATOM 11548 H2 TIP3 1746 20.385 -5.132 -42.425 1.00 0.00 WAT +ATOM 11549 OH2 TIP3 1747 14.489 -11.700 -41.946 1.00 0.00 WAT +ATOM 11550 H1 TIP3 1747 15.390 -11.326 -41.970 1.00 0.00 WAT +ATOM 11551 H2 TIP3 1747 14.445 -12.206 -42.771 1.00 0.00 WAT +ATOM 11552 OH2 TIP3 1748 13.503 -6.159 -37.200 1.00 0.00 WAT +ATOM 11553 H1 TIP3 1748 12.784 -6.518 -37.758 1.00 0.00 WAT +ATOM 11554 H2 TIP3 1748 13.564 -6.837 -36.497 1.00 0.00 WAT +ATOM 11555 OH2 TIP3 1749 13.877 -8.133 -35.204 1.00 0.00 WAT +ATOM 11556 H1 TIP3 1749 13.573 -8.999 -34.884 1.00 0.00 WAT +ATOM 11557 H2 TIP3 1749 14.219 -7.774 -34.369 1.00 0.00 WAT +ATOM 11558 OH2 TIP3 1750 31.561 -6.876 -32.176 1.00 0.00 WAT +ATOM 11559 H1 TIP3 1750 31.862 -6.869 -31.267 1.00 0.00 WAT +ATOM 11560 H2 TIP3 1750 32.392 -6.639 -32.625 1.00 0.00 WAT +ATOM 11561 OH2 TIP3 1751 31.012 -7.818 -29.067 1.00 0.00 WAT +ATOM 11562 H1 TIP3 1751 30.784 -8.384 -29.816 1.00 0.00 WAT +ATOM 11563 H2 TIP3 1751 31.925 -8.064 -28.876 1.00 0.00 WAT +ATOM 11564 OH2 TIP3 1752 29.294 -11.666 -25.368 1.00 0.00 WAT +ATOM 11565 H1 TIP3 1752 28.512 -11.950 -24.851 1.00 0.00 WAT +ATOM 11566 H2 TIP3 1752 29.806 -11.209 -24.671 1.00 0.00 WAT +ATOM 11567 OH2 TIP3 1753 30.669 -13.145 -39.299 1.00 0.00 WAT +ATOM 11568 H1 TIP3 1753 31.565 -12.764 -39.190 1.00 0.00 WAT +ATOM 11569 H2 TIP3 1753 30.673 -13.785 -38.559 1.00 0.00 WAT +ATOM 11570 OH2 TIP3 1754 31.116 -15.111 -37.322 1.00 0.00 WAT +ATOM 11571 H1 TIP3 1754 30.504 -15.720 -36.869 1.00 0.00 WAT +ATOM 11572 H2 TIP3 1754 31.855 -15.018 -36.686 1.00 0.00 WAT +ATOM 11573 OH2 TIP3 1755 30.871 -12.661 -32.411 1.00 0.00 WAT +ATOM 11574 H1 TIP3 1755 31.531 -13.161 -32.913 1.00 0.00 WAT +ATOM 11575 H2 TIP3 1755 31.093 -11.745 -32.661 1.00 0.00 WAT +ATOM 11576 OH2 TIP3 1756 31.395 -15.512 -41.066 1.00 0.00 WAT +ATOM 11577 H1 TIP3 1756 30.811 -15.159 -41.753 1.00 0.00 WAT +ATOM 11578 H2 TIP3 1756 31.282 -14.834 -40.380 1.00 0.00 WAT +ATOM 11579 OH2 TIP3 1757 29.627 -18.115 -42.180 1.00 0.00 WAT +ATOM 11580 H1 TIP3 1757 29.968 -17.353 -42.676 1.00 0.00 WAT +ATOM 11581 H2 TIP3 1757 30.089 -18.847 -42.599 1.00 0.00 WAT +ATOM 11582 OH2 TIP3 1758 29.076 -17.014 -36.509 1.00 0.00 WAT +ATOM 11583 H1 TIP3 1758 29.015 -17.971 -36.655 1.00 0.00 WAT +ATOM 11584 H2 TIP3 1758 28.706 -16.910 -35.612 1.00 0.00 WAT +ATOM 11585 OH2 TIP3 1759 14.050 -14.768 -32.760 1.00 0.00 WAT +ATOM 11586 H1 TIP3 1759 14.280 -14.746 -33.704 1.00 0.00 WAT +ATOM 11587 H2 TIP3 1759 14.881 -15.101 -32.360 1.00 0.00 WAT +ATOM 11588 OH2 TIP3 1760 29.907 -14.652 -27.204 1.00 0.00 WAT +ATOM 11589 H1 TIP3 1760 30.449 -15.463 -27.240 1.00 0.00 WAT +ATOM 11590 H2 TIP3 1760 30.539 -13.986 -27.486 1.00 0.00 WAT +ATOM 11591 OH2 TIP3 1761 31.188 -16.874 -26.203 1.00 0.00 WAT +ATOM 11592 H1 TIP3 1761 30.439 -17.469 -26.418 1.00 0.00 WAT +ATOM 11593 H2 TIP3 1761 31.942 -17.490 -26.179 1.00 0.00 WAT +ATOM 11594 OH2 TIP3 1762 28.892 -21.299 -43.378 1.00 0.00 WAT +ATOM 11595 H1 TIP3 1762 29.501 -21.559 -42.676 1.00 0.00 WAT +ATOM 11596 H2 TIP3 1762 28.030 -21.645 -43.098 1.00 0.00 WAT +ATOM 11597 OH2 TIP3 1763 28.883 -19.459 -38.366 1.00 0.00 WAT +ATOM 11598 H1 TIP3 1763 29.154 -20.403 -38.280 1.00 0.00 WAT +ATOM 11599 H2 TIP3 1763 29.704 -19.077 -38.720 1.00 0.00 WAT +ATOM 11600 OH2 TIP3 1764 29.228 -18.827 -32.935 1.00 0.00 WAT +ATOM 11601 H1 TIP3 1764 30.200 -18.725 -32.958 1.00 0.00 WAT +ATOM 11602 H2 TIP3 1764 29.067 -18.799 -31.982 1.00 0.00 WAT +ATOM 11603 OH2 TIP3 1765 29.211 -18.307 -29.973 1.00 0.00 WAT +ATOM 11604 H1 TIP3 1765 28.395 -17.816 -29.711 1.00 0.00 WAT +ATOM 11605 H2 TIP3 1765 29.776 -17.550 -30.237 1.00 0.00 WAT +ATOM 11606 OH2 TIP3 1766 31.746 -23.949 -25.018 1.00 0.00 WAT +ATOM 11607 H1 TIP3 1766 32.315 -24.672 -25.350 1.00 0.00 WAT +ATOM 11608 H2 TIP3 1766 32.130 -23.174 -25.444 1.00 0.00 WAT +ATOM 11609 OH2 TIP3 1767 29.392 -22.154 -38.228 1.00 0.00 WAT +ATOM 11610 H1 TIP3 1767 29.595 -22.592 -37.383 1.00 0.00 WAT +ATOM 11611 H2 TIP3 1767 28.696 -22.740 -38.585 1.00 0.00 WAT +ATOM 11612 OH2 TIP3 1768 14.634 -21.093 -33.623 1.00 0.00 WAT +ATOM 11613 H1 TIP3 1768 15.031 -21.968 -33.467 1.00 0.00 WAT +ATOM 11614 H2 TIP3 1768 15.302 -20.521 -33.198 1.00 0.00 WAT +ATOM 11615 OH2 TIP3 1769 13.137 -18.400 -32.577 1.00 0.00 WAT +ATOM 11616 H1 TIP3 1769 13.737 -18.485 -33.322 1.00 0.00 WAT +ATOM 11617 H2 TIP3 1769 13.572 -17.731 -32.029 1.00 0.00 WAT +ATOM 11618 OH2 TIP3 1770 30.982 -21.671 -26.801 1.00 0.00 WAT +ATOM 11619 H1 TIP3 1770 30.262 -21.780 -26.152 1.00 0.00 WAT +ATOM 11620 H2 TIP3 1770 30.931 -22.473 -27.346 1.00 0.00 WAT +ATOM 11621 OH2 TIP3 1771 31.432 -21.790 -41.795 1.00 0.00 WAT +ATOM 11622 H1 TIP3 1771 31.706 -22.579 -42.276 1.00 0.00 WAT +ATOM 11623 H2 TIP3 1771 32.283 -21.335 -41.674 1.00 0.00 WAT +ATOM 11624 OH2 TIP3 1772 13.642 -22.045 -38.478 1.00 0.00 WAT +ATOM 11625 H1 TIP3 1772 12.701 -22.072 -38.727 1.00 0.00 WAT +ATOM 11626 H2 TIP3 1772 14.032 -21.487 -39.179 1.00 0.00 WAT +ATOM 11627 OH2 TIP3 1773 28.287 -6.853 -36.407 1.00 0.00 WAT +ATOM 11628 H1 TIP3 1773 28.769 -7.098 -37.214 1.00 0.00 WAT +ATOM 11629 H2 TIP3 1773 28.984 -6.442 -35.881 1.00 0.00 WAT +ATOM 11630 OH2 TIP3 1774 13.669 -23.335 -30.493 1.00 0.00 WAT +ATOM 11631 H1 TIP3 1774 13.118 -23.422 -29.703 1.00 0.00 WAT +ATOM 11632 H2 TIP3 1774 13.174 -22.666 -30.993 1.00 0.00 WAT +ATOM 11633 OH2 TIP3 1775 15.699 -10.054 -25.688 1.00 0.00 WAT +ATOM 11634 H1 TIP3 1775 14.956 -10.119 -26.304 1.00 0.00 WAT +ATOM 11635 H2 TIP3 1775 15.271 -10.147 -24.826 1.00 0.00 WAT +ATOM 11636 OH2 TIP3 1776 18.544 -9.147 -30.022 1.00 0.00 WAT +ATOM 11637 H1 TIP3 1776 18.231 -8.282 -30.339 1.00 0.00 WAT +ATOM 11638 H2 TIP3 1776 19.505 -9.037 -30.173 1.00 0.00 WAT +ATOM 11639 OH2 TIP3 1777 23.072 -7.820 -26.997 1.00 0.00 WAT +ATOM 11640 H1 TIP3 1777 23.172 -7.974 -26.042 1.00 0.00 WAT +ATOM 11641 H2 TIP3 1777 23.914 -7.375 -27.218 1.00 0.00 WAT +ATOM 11642 OH2 TIP3 1778 25.411 -6.414 -27.749 1.00 0.00 WAT +ATOM 11643 H1 TIP3 1778 26.071 -7.090 -27.940 1.00 0.00 WAT +ATOM 11644 H2 TIP3 1778 25.717 -6.083 -26.881 1.00 0.00 WAT +ATOM 11645 OH2 TIP3 1779 29.890 -23.661 -28.668 1.00 0.00 WAT +ATOM 11646 H1 TIP3 1779 29.152 -23.903 -29.274 1.00 0.00 WAT +ATOM 11647 H2 TIP3 1779 30.430 -24.472 -28.784 1.00 0.00 WAT +ATOM 11648 OH2 TIP3 1780 15.902 -6.182 -29.671 1.00 0.00 WAT +ATOM 11649 H1 TIP3 1780 15.312 -5.536 -30.099 1.00 0.00 WAT +ATOM 11650 H2 TIP3 1780 15.608 -6.106 -28.754 1.00 0.00 WAT +ATOM 11651 OH2 TIP3 1781 18.406 -6.401 -31.118 1.00 0.00 WAT +ATOM 11652 H1 TIP3 1781 17.557 -6.212 -30.673 1.00 0.00 WAT +ATOM 11653 H2 TIP3 1781 18.444 -5.698 -31.792 1.00 0.00 WAT +ATOM 11654 OH2 TIP3 1782 23.164 -6.414 -31.546 1.00 0.00 WAT +ATOM 11655 H1 TIP3 1782 22.796 -5.954 -32.321 1.00 0.00 WAT +ATOM 11656 H2 TIP3 1782 23.258 -5.677 -30.912 1.00 0.00 WAT +ATOM 11657 OH2 TIP3 1783 25.502 -7.739 -30.634 1.00 0.00 WAT +ATOM 11658 H1 TIP3 1783 24.667 -7.343 -30.945 1.00 0.00 WAT +ATOM 11659 H2 TIP3 1783 26.077 -6.962 -30.573 1.00 0.00 WAT +ATOM 11660 OH2 TIP3 1784 28.046 -5.938 -30.392 1.00 0.00 WAT +ATOM 11661 H1 TIP3 1784 27.976 -5.008 -30.677 1.00 0.00 WAT +ATOM 11662 H2 TIP3 1784 28.299 -6.374 -31.223 1.00 0.00 WAT +ATOM 11663 OH2 TIP3 1785 15.491 -7.378 -32.724 1.00 0.00 WAT +ATOM 11664 H1 TIP3 1785 15.474 -7.855 -31.865 1.00 0.00 WAT +ATOM 11665 H2 TIP3 1785 16.261 -7.807 -33.148 1.00 0.00 WAT +ATOM 11666 OH2 TIP3 1786 17.516 -8.638 -34.282 1.00 0.00 WAT +ATOM 11667 H1 TIP3 1786 17.365 -9.564 -33.997 1.00 0.00 WAT +ATOM 11668 H2 TIP3 1786 18.420 -8.472 -33.949 1.00 0.00 WAT +ATOM 11669 OH2 TIP3 1787 20.253 -8.158 -33.388 1.00 0.00 WAT +ATOM 11670 H1 TIP3 1787 20.478 -9.078 -33.601 1.00 0.00 WAT +ATOM 11671 H2 TIP3 1787 20.341 -8.172 -32.421 1.00 0.00 WAT +ATOM 11672 OH2 TIP3 1788 23.610 -22.259 -34.061 1.00 0.00 WAT +ATOM 11673 H1 TIP3 1788 22.929 -22.946 -33.926 1.00 0.00 WAT +ATOM 11674 H2 TIP3 1788 24.239 -22.712 -34.646 1.00 0.00 WAT +ATOM 11675 OH2 TIP3 1789 28.525 -24.193 -33.618 1.00 0.00 WAT +ATOM 11676 H1 TIP3 1789 29.318 -23.820 -34.045 1.00 0.00 WAT +ATOM 11677 H2 TIP3 1789 27.818 -23.938 -34.233 1.00 0.00 WAT +ATOM 11678 OH2 TIP3 1790 30.613 -23.143 -35.761 1.00 0.00 WAT +ATOM 11679 H1 TIP3 1790 31.333 -23.610 -36.225 1.00 0.00 WAT +ATOM 11680 H2 TIP3 1790 30.970 -22.230 -35.721 1.00 0.00 WAT +ATOM 11681 OH2 TIP3 1791 15.959 -23.541 -36.544 1.00 0.00 WAT +ATOM 11682 H1 TIP3 1791 15.090 -23.686 -36.969 1.00 0.00 WAT +ATOM 11683 H2 TIP3 1791 16.368 -24.418 -36.664 1.00 0.00 WAT +ATOM 11684 OH2 TIP3 1792 14.751 -24.002 -40.808 1.00 0.00 WAT +ATOM 11685 H1 TIP3 1792 15.329 -23.353 -41.270 1.00 0.00 WAT +ATOM 11686 H2 TIP3 1792 14.388 -23.462 -40.090 1.00 0.00 WAT +ATOM 11687 OH2 TIP3 1793 20.415 -23.696 -36.647 1.00 0.00 WAT +ATOM 11688 H1 TIP3 1793 21.337 -23.428 -36.793 1.00 0.00 WAT +ATOM 11689 H2 TIP3 1793 20.409 -23.828 -35.691 1.00 0.00 WAT +ATOM 11690 OH2 TIP3 1794 26.007 -23.679 -35.247 1.00 0.00 WAT +ATOM 11691 H1 TIP3 1794 26.291 -23.822 -36.161 1.00 0.00 WAT +ATOM 11692 H2 TIP3 1794 25.641 -24.551 -35.010 1.00 0.00 WAT +ATOM 11693 OH2 TIP3 1795 27.052 -23.642 -39.140 1.00 0.00 WAT +ATOM 11694 H1 TIP3 1795 26.275 -23.178 -39.494 1.00 0.00 WAT +ATOM 11695 H2 TIP3 1795 26.767 -24.567 -39.228 1.00 0.00 WAT +ATOM 11696 OH2 TIP3 1796 14.822 -8.099 -39.642 1.00 0.00 WAT +ATOM 11697 H1 TIP3 1796 14.111 -8.127 -40.305 1.00 0.00 WAT +ATOM 11698 H2 TIP3 1796 14.827 -7.160 -39.424 1.00 0.00 WAT +ATOM 11699 OH2 TIP3 1797 16.437 -22.294 -42.274 1.00 0.00 WAT +ATOM 11700 H1 TIP3 1797 17.000 -22.865 -42.815 1.00 0.00 WAT +ATOM 11701 H2 TIP3 1797 17.098 -21.759 -41.803 1.00 0.00 WAT +ATOM 11702 OH2 TIP3 1798 21.504 -22.050 -39.555 1.00 0.00 WAT +ATOM 11703 H1 TIP3 1798 21.909 -22.648 -38.907 1.00 0.00 WAT +ATOM 11704 H2 TIP3 1798 21.877 -21.206 -39.249 1.00 0.00 WAT +ATOM 11705 OH2 TIP3 1799 23.590 -6.470 -41.453 1.00 0.00 WAT +ATOM 11706 H1 TIP3 1799 24.564 -6.343 -41.488 1.00 0.00 WAT +ATOM 11707 H2 TIP3 1799 23.485 -7.077 -42.209 1.00 0.00 WAT +ATOM 11708 OH2 TIP3 1800 30.203 -7.265 -38.828 1.00 0.00 WAT +ATOM 11709 H1 TIP3 1800 29.925 -8.102 -39.254 1.00 0.00 WAT +ATOM 11710 H2 TIP3 1800 30.017 -6.612 -39.533 1.00 0.00 WAT +ATOM 11711 OH2 TIP3 1801 15.744 -23.394 -27.096 1.00 0.00 WAT +ATOM 11712 H1 TIP3 1801 15.389 -24.179 -26.648 1.00 0.00 WAT +ATOM 11713 H2 TIP3 1801 16.659 -23.377 -26.781 1.00 0.00 WAT +ATOM 11714 OH2 TIP3 1802 18.137 -23.927 -25.262 1.00 0.00 WAT +ATOM 11715 H1 TIP3 1802 18.951 -24.290 -25.663 1.00 0.00 WAT +ATOM 11716 H2 TIP3 1802 17.764 -24.719 -24.845 1.00 0.00 WAT +ATOM 11717 OH2 TIP3 1803 16.816 -7.032 -42.322 1.00 0.00 WAT +ATOM 11718 H1 TIP3 1803 16.414 -6.786 -41.481 1.00 0.00 WAT +ATOM 11719 H2 TIP3 1803 17.477 -7.687 -42.076 1.00 0.00 WAT +ATOM 11720 OH2 TIP3 1804 26.248 -24.845 -25.119 1.00 0.00 WAT +ATOM 11721 H1 TIP3 1804 26.260 -25.247 -24.228 1.00 0.00 WAT +ATOM 11722 H2 TIP3 1804 27.200 -24.821 -25.332 1.00 0.00 WAT +ATOM 11723 OH2 TIP3 1805 42.220 -15.901 -33.111 1.00 0.00 WAT +ATOM 11724 H1 TIP3 1805 42.933 -15.439 -32.629 1.00 0.00 WAT +ATOM 11725 H2 TIP3 1805 42.415 -15.677 -34.026 1.00 0.00 WAT +ATOM 11726 OH2 TIP3 1806 35.145 -15.801 -31.486 1.00 0.00 WAT +ATOM 11727 H1 TIP3 1806 35.177 -16.523 -30.836 1.00 0.00 WAT +ATOM 11728 H2 TIP3 1806 35.890 -15.249 -31.206 1.00 0.00 WAT +ATOM 11729 OH2 TIP3 1807 35.843 -11.481 -32.898 1.00 0.00 WAT +ATOM 11730 H1 TIP3 1807 35.727 -12.327 -33.368 1.00 0.00 WAT +ATOM 11731 H2 TIP3 1807 36.771 -11.273 -33.082 1.00 0.00 WAT +ATOM 11732 OH2 TIP3 1808 32.798 -17.811 -37.623 1.00 0.00 WAT +ATOM 11733 H1 TIP3 1808 32.479 -16.903 -37.499 1.00 0.00 WAT +ATOM 11734 H2 TIP3 1808 32.075 -18.210 -38.126 1.00 0.00 WAT +ATOM 11735 OH2 TIP3 1809 33.553 -15.337 -35.884 1.00 0.00 WAT +ATOM 11736 H1 TIP3 1809 33.759 -16.083 -35.293 1.00 0.00 WAT +ATOM 11737 H2 TIP3 1809 34.436 -15.091 -36.199 1.00 0.00 WAT +ATOM 11738 OH2 TIP3 1810 41.219 -12.883 -32.457 1.00 0.00 WAT +ATOM 11739 H1 TIP3 1810 41.457 -13.490 -33.171 1.00 0.00 WAT +ATOM 11740 H2 TIP3 1810 42.075 -12.674 -32.066 1.00 0.00 WAT +ATOM 11741 OH2 TIP3 1811 37.436 -20.524 -35.053 1.00 0.00 WAT +ATOM 11742 H1 TIP3 1811 37.575 -19.660 -35.494 1.00 0.00 WAT +ATOM 11743 H2 TIP3 1811 37.071 -21.032 -35.802 1.00 0.00 WAT +ATOM 11744 OH2 TIP3 1812 34.070 -17.836 -34.491 1.00 0.00 WAT +ATOM 11745 H1 TIP3 1812 34.769 -18.267 -33.974 1.00 0.00 WAT +ATOM 11746 H2 TIP3 1812 34.191 -18.248 -35.365 1.00 0.00 WAT +ATOM 11747 OH2 TIP3 1813 39.518 -16.427 -35.052 1.00 0.00 WAT +ATOM 11748 H1 TIP3 1813 40.253 -16.970 -34.706 1.00 0.00 WAT +ATOM 11749 H2 TIP3 1813 38.995 -17.098 -35.522 1.00 0.00 WAT +ATOM 11750 OH2 TIP3 1814 36.223 -21.739 -30.885 1.00 0.00 WAT +ATOM 11751 H1 TIP3 1814 35.841 -21.248 -31.629 1.00 0.00 WAT +ATOM 11752 H2 TIP3 1814 35.570 -21.558 -30.184 1.00 0.00 WAT +ATOM 11753 OH2 TIP3 1815 39.143 -13.894 -30.744 1.00 0.00 WAT +ATOM 11754 H1 TIP3 1815 38.440 -13.262 -30.489 1.00 0.00 WAT +ATOM 11755 H2 TIP3 1815 39.805 -13.303 -31.150 1.00 0.00 WAT +ATOM 11756 OH2 TIP3 1816 35.818 -19.705 -32.949 1.00 0.00 WAT +ATOM 11757 H1 TIP3 1816 36.459 -19.112 -32.497 1.00 0.00 WAT +ATOM 11758 H2 TIP3 1816 36.393 -20.056 -33.664 1.00 0.00 WAT +ATOM 11759 OH2 TIP3 1817 37.178 -11.947 -29.962 1.00 0.00 WAT +ATOM 11760 H1 TIP3 1817 37.152 -11.141 -30.509 1.00 0.00 WAT +ATOM 11761 H2 TIP3 1817 36.262 -11.964 -29.665 1.00 0.00 WAT +ATOM 11762 OH2 TIP3 1818 33.348 -12.203 -39.133 1.00 0.00 WAT +ATOM 11763 H1 TIP3 1818 33.293 -11.777 -40.009 1.00 0.00 WAT +ATOM 11764 H2 TIP3 1818 33.604 -11.476 -38.533 1.00 0.00 WAT +ATOM 11765 OH2 TIP3 1819 40.428 -24.264 -33.746 1.00 0.00 WAT +ATOM 11766 H1 TIP3 1819 40.152 -25.201 -33.746 1.00 0.00 WAT +ATOM 11767 H2 TIP3 1819 39.629 -23.832 -33.381 1.00 0.00 WAT +ATOM 11768 OH2 TIP3 1820 42.372 -15.242 -39.280 1.00 0.00 WAT +ATOM 11769 H1 TIP3 1820 41.646 -14.624 -39.444 1.00 0.00 WAT +ATOM 11770 H2 TIP3 1820 43.051 -14.906 -39.867 1.00 0.00 WAT +ATOM 11771 OH2 TIP3 1821 42.805 -16.964 -42.115 1.00 0.00 WAT +ATOM 11772 H1 TIP3 1821 43.435 -16.930 -41.379 1.00 0.00 WAT +ATOM 11773 H2 TIP3 1821 43.030 -17.796 -42.535 1.00 0.00 WAT +ATOM 11774 OH2 TIP3 1822 37.473 -14.609 -36.157 1.00 0.00 WAT +ATOM 11775 H1 TIP3 1822 37.311 -14.947 -37.060 1.00 0.00 WAT +ATOM 11776 H2 TIP3 1822 38.239 -15.133 -35.871 1.00 0.00 WAT +ATOM 11777 OH2 TIP3 1823 38.966 -11.250 -33.378 1.00 0.00 WAT +ATOM 11778 H1 TIP3 1823 38.933 -11.494 -34.317 1.00 0.00 WAT +ATOM 11779 H2 TIP3 1823 39.806 -11.654 -33.099 1.00 0.00 WAT +ATOM 11780 OH2 TIP3 1824 38.148 -15.719 -32.650 1.00 0.00 WAT +ATOM 11781 H1 TIP3 1824 38.716 -15.700 -33.446 1.00 0.00 WAT +ATOM 11782 H2 TIP3 1824 38.563 -15.034 -32.087 1.00 0.00 WAT +ATOM 11783 OH2 TIP3 1825 39.034 -11.384 -27.839 1.00 0.00 WAT +ATOM 11784 H1 TIP3 1825 38.522 -10.713 -27.359 1.00 0.00 WAT +ATOM 11785 H2 TIP3 1825 38.422 -11.601 -28.572 1.00 0.00 WAT +ATOM 11786 OH2 TIP3 1826 35.954 -15.023 -28.678 1.00 0.00 WAT +ATOM 11787 H1 TIP3 1826 36.016 -14.397 -27.932 1.00 0.00 WAT +ATOM 11788 H2 TIP3 1826 34.994 -15.105 -28.790 1.00 0.00 WAT +ATOM 11789 OH2 TIP3 1827 42.632 -9.280 -37.030 1.00 0.00 WAT +ATOM 11790 H1 TIP3 1827 42.990 -8.775 -36.282 1.00 0.00 WAT +ATOM 11791 H2 TIP3 1827 42.004 -8.652 -37.414 1.00 0.00 WAT +ATOM 11792 OH2 TIP3 1828 37.069 -9.171 -26.955 1.00 0.00 WAT +ATOM 11793 H1 TIP3 1828 37.060 -9.105 -27.932 1.00 0.00 WAT +ATOM 11794 H2 TIP3 1828 36.187 -9.527 -26.756 1.00 0.00 WAT +ATOM 11795 OH2 TIP3 1829 36.567 -15.823 -38.619 1.00 0.00 WAT +ATOM 11796 H1 TIP3 1829 36.620 -15.107 -39.271 1.00 0.00 WAT +ATOM 11797 H2 TIP3 1829 35.825 -16.331 -38.960 1.00 0.00 WAT +ATOM 11798 OH2 TIP3 1830 32.330 -13.048 -29.793 1.00 0.00 WAT +ATOM 11799 H1 TIP3 1830 32.062 -13.060 -30.730 1.00 0.00 WAT +ATOM 11800 H2 TIP3 1830 32.589 -13.970 -29.633 1.00 0.00 WAT +ATOM 11801 OH2 TIP3 1831 32.567 -10.270 -32.790 1.00 0.00 WAT +ATOM 11802 H1 TIP3 1831 33.506 -10.486 -32.931 1.00 0.00 WAT +ATOM 11803 H2 TIP3 1831 32.678 -9.363 -32.472 1.00 0.00 WAT +ATOM 11804 OH2 TIP3 1832 41.647 -10.299 -28.473 1.00 0.00 WAT +ATOM 11805 H1 TIP3 1832 41.787 -9.524 -27.918 1.00 0.00 WAT +ATOM 11806 H2 TIP3 1832 40.795 -10.653 -28.155 1.00 0.00 WAT +ATOM 11807 OH2 TIP3 1833 41.860 -6.491 -38.415 1.00 0.00 WAT +ATOM 11808 H1 TIP3 1833 42.012 -6.557 -39.368 1.00 0.00 WAT +ATOM 11809 H2 TIP3 1833 42.137 -5.599 -38.185 1.00 0.00 WAT +ATOM 11810 OH2 TIP3 1834 35.750 -7.468 -36.438 1.00 0.00 WAT +ATOM 11811 H1 TIP3 1834 35.896 -7.882 -35.569 1.00 0.00 WAT +ATOM 11812 H2 TIP3 1834 34.993 -7.988 -36.742 1.00 0.00 WAT +ATOM 11813 OH2 TIP3 1835 34.366 -11.379 -28.420 1.00 0.00 WAT +ATOM 11814 H1 TIP3 1835 34.966 -11.950 -27.914 1.00 0.00 WAT +ATOM 11815 H2 TIP3 1835 33.951 -11.970 -29.071 1.00 0.00 WAT +ATOM 11816 OH2 TIP3 1836 37.956 -23.110 -32.904 1.00 0.00 WAT +ATOM 11817 H1 TIP3 1836 37.146 -23.153 -33.437 1.00 0.00 WAT +ATOM 11818 H2 TIP3 1836 37.751 -22.352 -32.335 1.00 0.00 WAT +ATOM 11819 OH2 TIP3 1837 42.335 -23.726 -28.623 1.00 0.00 WAT +ATOM 11820 H1 TIP3 1837 42.453 -24.453 -27.995 1.00 0.00 WAT +ATOM 11821 H2 TIP3 1837 41.423 -23.901 -28.937 1.00 0.00 WAT +ATOM 11822 OH2 TIP3 1838 42.201 -21.002 -42.119 1.00 0.00 WAT +ATOM 11823 H1 TIP3 1838 41.623 -21.069 -41.350 1.00 0.00 WAT +ATOM 11824 H2 TIP3 1838 41.854 -21.698 -42.686 1.00 0.00 WAT +ATOM 11825 OH2 TIP3 1839 37.767 -18.296 -31.515 1.00 0.00 WAT +ATOM 11826 H1 TIP3 1839 37.240 -18.144 -30.718 1.00 0.00 WAT +ATOM 11827 H2 TIP3 1839 37.902 -17.384 -31.857 1.00 0.00 WAT +ATOM 11828 OH2 TIP3 1840 37.736 -18.252 -36.597 1.00 0.00 WAT +ATOM 11829 H1 TIP3 1840 36.775 -18.276 -36.757 1.00 0.00 WAT +ATOM 11830 H2 TIP3 1840 38.067 -18.304 -37.509 1.00 0.00 WAT +ATOM 11831 OH2 TIP3 1841 42.613 -17.221 -37.436 1.00 0.00 WAT +ATOM 11832 H1 TIP3 1841 42.159 -16.540 -37.976 1.00 0.00 WAT +ATOM 11833 H2 TIP3 1841 43.319 -16.669 -37.071 1.00 0.00 WAT +ATOM 11834 OH2 TIP3 1842 42.486 -17.433 -26.350 1.00 0.00 WAT +ATOM 11835 H1 TIP3 1842 41.966 -18.245 -26.165 1.00 0.00 WAT +ATOM 11836 H2 TIP3 1842 43.386 -17.807 -26.321 1.00 0.00 WAT +ATOM 11837 OH2 TIP3 1843 35.053 -18.137 -29.577 1.00 0.00 WAT +ATOM 11838 H1 TIP3 1843 35.502 -17.822 -28.783 1.00 0.00 WAT +ATOM 11839 H2 TIP3 1843 34.869 -19.066 -29.350 1.00 0.00 WAT +ATOM 11840 OH2 TIP3 1844 38.945 -20.748 -43.110 1.00 0.00 WAT +ATOM 11841 H1 TIP3 1844 38.547 -20.972 -42.249 1.00 0.00 WAT +ATOM 11842 H2 TIP3 1844 38.233 -20.196 -43.489 1.00 0.00 WAT +ATOM 11843 OH2 TIP3 1845 31.956 -20.704 -35.957 1.00 0.00 WAT +ATOM 11844 H1 TIP3 1845 32.604 -20.706 -35.234 1.00 0.00 WAT +ATOM 11845 H2 TIP3 1845 32.465 -21.010 -36.727 1.00 0.00 WAT +ATOM 11846 OH2 TIP3 1846 33.566 -20.238 -40.409 1.00 0.00 WAT +ATOM 11847 H1 TIP3 1846 34.140 -19.743 -41.027 1.00 0.00 WAT +ATOM 11848 H2 TIP3 1846 32.913 -19.559 -40.166 1.00 0.00 WAT +ATOM 11849 OH2 TIP3 1847 43.507 -16.874 -30.226 1.00 0.00 WAT +ATOM 11850 H1 TIP3 1847 43.776 -17.538 -30.895 1.00 0.00 WAT +ATOM 11851 H2 TIP3 1847 42.720 -17.303 -29.864 1.00 0.00 WAT +ATOM 11852 OH2 TIP3 1848 40.479 -20.889 -35.544 1.00 0.00 WAT +ATOM 11853 H1 TIP3 1848 39.541 -20.743 -35.339 1.00 0.00 WAT +ATOM 11854 H2 TIP3 1848 40.885 -20.562 -34.722 1.00 0.00 WAT +ATOM 11855 OH2 TIP3 1849 35.051 -19.442 -36.863 1.00 0.00 WAT +ATOM 11856 H1 TIP3 1849 34.267 -19.123 -37.349 1.00 0.00 WAT +ATOM 11857 H2 TIP3 1849 35.354 -20.202 -37.393 1.00 0.00 WAT +ATOM 11858 OH2 TIP3 1850 38.750 -19.104 -39.306 1.00 0.00 WAT +ATOM 11859 H1 TIP3 1850 39.665 -18.813 -39.192 1.00 0.00 WAT +ATOM 11860 H2 TIP3 1850 38.384 -18.452 -39.938 1.00 0.00 WAT +ATOM 11861 OH2 TIP3 1851 37.274 -17.961 -41.539 1.00 0.00 WAT +ATOM 11862 H1 TIP3 1851 36.745 -18.404 -42.221 1.00 0.00 WAT +ATOM 11863 H2 TIP3 1851 37.934 -17.476 -42.053 1.00 0.00 WAT +ATOM 11864 OH2 TIP3 1852 35.785 -13.126 -26.470 1.00 0.00 WAT +ATOM 11865 H1 TIP3 1852 36.490 -13.047 -25.790 1.00 0.00 WAT +ATOM 11866 H2 TIP3 1852 35.005 -12.960 -25.919 1.00 0.00 WAT +ATOM 11867 OH2 TIP3 1853 41.390 -18.593 -34.163 1.00 0.00 WAT +ATOM 11868 H1 TIP3 1853 42.240 -18.834 -34.549 1.00 0.00 WAT +ATOM 11869 H2 TIP3 1853 41.614 -18.547 -33.218 1.00 0.00 WAT +ATOM 11870 OH2 TIP3 1854 36.750 -21.746 -37.579 1.00 0.00 WAT +ATOM 11871 H1 TIP3 1854 36.259 -22.573 -37.424 1.00 0.00 WAT +ATOM 11872 H2 TIP3 1854 37.584 -22.071 -37.937 1.00 0.00 WAT +ATOM 11873 OH2 TIP3 1855 40.478 -19.759 -31.433 1.00 0.00 WAT +ATOM 11874 H1 TIP3 1855 39.807 -19.081 -31.616 1.00 0.00 WAT +ATOM 11875 H2 TIP3 1855 41.007 -19.338 -30.731 1.00 0.00 WAT +ATOM 11876 OH2 TIP3 1856 42.025 -13.415 -28.320 1.00 0.00 WAT +ATOM 11877 H1 TIP3 1856 41.881 -13.471 -27.370 1.00 0.00 WAT +ATOM 11878 H2 TIP3 1856 42.161 -12.467 -28.471 1.00 0.00 WAT +ATOM 11879 OH2 TIP3 1857 35.721 -14.081 -33.920 1.00 0.00 WAT +ATOM 11880 H1 TIP3 1857 36.358 -14.081 -34.660 1.00 0.00 WAT +ATOM 11881 H2 TIP3 1857 36.015 -14.846 -33.405 1.00 0.00 WAT +ATOM 11882 OH2 TIP3 1858 42.508 -12.134 -40.539 1.00 0.00 WAT +ATOM 11883 H1 TIP3 1858 42.443 -11.188 -40.305 1.00 0.00 WAT +ATOM 11884 H2 TIP3 1858 41.623 -12.424 -40.261 1.00 0.00 WAT +ATOM 11885 OH2 TIP3 1859 32.991 -15.561 -28.490 1.00 0.00 WAT +ATOM 11886 H1 TIP3 1859 33.241 -16.066 -27.689 1.00 0.00 WAT +ATOM 11887 H2 TIP3 1859 32.449 -16.191 -28.989 1.00 0.00 WAT +ATOM 11888 OH2 TIP3 1860 39.998 -16.129 -26.493 1.00 0.00 WAT +ATOM 11889 H1 TIP3 1860 39.719 -16.352 -27.395 1.00 0.00 WAT +ATOM 11890 H2 TIP3 1860 40.958 -16.306 -26.545 1.00 0.00 WAT +ATOM 11891 OH2 TIP3 1861 37.968 -10.372 -36.250 1.00 0.00 WAT +ATOM 11892 H1 TIP3 1861 38.623 -9.839 -36.714 1.00 0.00 WAT +ATOM 11893 H2 TIP3 1861 37.249 -10.436 -36.885 1.00 0.00 WAT +ATOM 11894 OH2 TIP3 1862 34.178 -15.783 -42.030 1.00 0.00 WAT +ATOM 11895 H1 TIP3 1862 34.754 -15.109 -41.614 1.00 0.00 WAT +ATOM 11896 H2 TIP3 1862 33.297 -15.518 -41.706 1.00 0.00 WAT +ATOM 11897 OH2 TIP3 1863 40.139 -12.788 -36.207 1.00 0.00 WAT +ATOM 11898 H1 TIP3 1863 40.053 -12.081 -36.856 1.00 0.00 WAT +ATOM 11899 H2 TIP3 1863 39.450 -13.397 -36.491 1.00 0.00 WAT +ATOM 11900 OH2 TIP3 1864 40.201 -8.534 -30.508 1.00 0.00 WAT +ATOM 11901 H1 TIP3 1864 40.822 -7.937 -30.960 1.00 0.00 WAT +ATOM 11902 H2 TIP3 1864 40.808 -9.157 -30.076 1.00 0.00 WAT +ATOM 11903 OH2 TIP3 1865 38.621 -7.637 -37.509 1.00 0.00 WAT +ATOM 11904 H1 TIP3 1865 37.713 -7.662 -37.172 1.00 0.00 WAT +ATOM 11905 H2 TIP3 1865 38.957 -6.812 -37.126 1.00 0.00 WAT +ATOM 11906 OH2 TIP3 1866 34.315 -20.913 -28.890 1.00 0.00 WAT +ATOM 11907 H1 TIP3 1866 33.420 -20.824 -29.242 1.00 0.00 WAT +ATOM 11908 H2 TIP3 1866 34.265 -21.798 -28.487 1.00 0.00 WAT +ATOM 11909 OH2 TIP3 1867 40.166 -10.546 -42.856 1.00 0.00 WAT +ATOM 11910 H1 TIP3 1867 40.313 -11.361 -43.349 1.00 0.00 WAT +ATOM 11911 H2 TIP3 1867 39.719 -10.912 -42.062 1.00 0.00 WAT +ATOM 11912 OH2 TIP3 1868 35.497 -13.656 -40.526 1.00 0.00 WAT +ATOM 11913 H1 TIP3 1868 34.876 -13.221 -39.914 1.00 0.00 WAT +ATOM 11914 H2 TIP3 1868 36.239 -13.026 -40.544 1.00 0.00 WAT +ATOM 11915 OH2 TIP3 1869 43.378 -20.639 -29.828 1.00 0.00 WAT +ATOM 11916 H1 TIP3 1869 43.836 -21.416 -29.505 1.00 0.00 WAT +ATOM 11917 H2 TIP3 1869 42.730 -21.025 -30.436 1.00 0.00 WAT +ATOM 11918 OH2 TIP3 1870 41.899 -9.290 -40.204 1.00 0.00 WAT +ATOM 11919 H1 TIP3 1870 40.951 -9.172 -40.039 1.00 0.00 WAT +ATOM 11920 H2 TIP3 1870 42.039 -8.731 -40.975 1.00 0.00 WAT +ATOM 11921 OH2 TIP3 1871 41.540 -19.679 -38.102 1.00 0.00 WAT +ATOM 11922 H1 TIP3 1871 42.012 -18.857 -37.846 1.00 0.00 WAT +ATOM 11923 H2 TIP3 1871 41.120 -19.890 -37.252 1.00 0.00 WAT +ATOM 11924 OH2 TIP3 1872 41.616 -18.803 -28.932 1.00 0.00 WAT +ATOM 11925 H1 TIP3 1872 41.830 -18.250 -28.168 1.00 0.00 WAT +ATOM 11926 H2 TIP3 1872 42.361 -19.435 -28.964 1.00 0.00 WAT +ATOM 11927 OH2 TIP3 1873 41.976 -22.699 -36.945 1.00 0.00 WAT +ATOM 11928 H1 TIP3 1873 41.636 -21.919 -36.444 1.00 0.00 WAT +ATOM 11929 H2 TIP3 1873 42.704 -22.306 -37.458 1.00 0.00 WAT +ATOM 11930 OH2 TIP3 1874 38.707 -8.356 -40.405 1.00 0.00 WAT +ATOM 11931 H1 TIP3 1874 38.937 -7.481 -40.749 1.00 0.00 WAT +ATOM 11932 H2 TIP3 1874 38.729 -8.225 -39.442 1.00 0.00 WAT +ATOM 11933 OH2 TIP3 1875 37.680 -21.552 -40.803 1.00 0.00 WAT +ATOM 11934 H1 TIP3 1875 37.638 -20.796 -40.191 1.00 0.00 WAT +ATOM 11935 H2 TIP3 1875 38.412 -22.071 -40.444 1.00 0.00 WAT +ATOM 11936 OH2 TIP3 1876 36.241 -10.520 -41.574 1.00 0.00 WAT +ATOM 11937 H1 TIP3 1876 37.033 -10.263 -41.074 1.00 0.00 WAT +ATOM 11938 H2 TIP3 1876 36.609 -11.211 -42.143 1.00 0.00 WAT +ATOM 11939 OH2 TIP3 1877 34.317 -18.542 -42.615 1.00 0.00 WAT +ATOM 11940 H1 TIP3 1877 34.468 -17.595 -42.413 1.00 0.00 WAT +ATOM 11941 H2 TIP3 1877 33.391 -18.524 -42.909 1.00 0.00 WAT +ATOM 11942 OH2 TIP3 1878 35.049 -23.499 -33.762 1.00 0.00 WAT +ATOM 11943 H1 TIP3 1878 35.034 -23.633 -34.730 1.00 0.00 WAT +ATOM 11944 H2 TIP3 1878 34.811 -24.386 -33.433 1.00 0.00 WAT +ATOM 11945 OH2 TIP3 1879 34.043 -9.893 -37.427 1.00 0.00 WAT +ATOM 11946 H1 TIP3 1879 33.223 -9.391 -37.356 1.00 0.00 WAT +ATOM 11947 H2 TIP3 1879 34.475 -9.476 -38.184 1.00 0.00 WAT +ATOM 11948 OH2 TIP3 1880 33.365 -7.167 -26.279 1.00 0.00 WAT +ATOM 11949 H1 TIP3 1880 34.053 -7.360 -25.612 1.00 0.00 WAT +ATOM 11950 H2 TIP3 1880 32.915 -8.013 -26.346 1.00 0.00 WAT +ATOM 11951 OH2 TIP3 1881 38.158 -8.021 -24.528 1.00 0.00 WAT +ATOM 11952 H1 TIP3 1881 38.815 -8.689 -24.269 1.00 0.00 WAT +ATOM 11953 H2 TIP3 1881 37.889 -8.368 -25.398 1.00 0.00 WAT +ATOM 11954 OH2 TIP3 1882 42.276 -8.729 -43.167 1.00 0.00 WAT +ATOM 11955 H1 TIP3 1882 41.448 -9.257 -43.142 1.00 0.00 WAT +ATOM 11956 H2 TIP3 1882 42.865 -9.363 -43.595 1.00 0.00 WAT +ATOM 11957 OH2 TIP3 1883 33.065 -13.381 -25.495 1.00 0.00 WAT +ATOM 11958 H1 TIP3 1883 33.345 -14.287 -25.709 1.00 0.00 WAT +ATOM 11959 H2 TIP3 1883 32.621 -13.114 -26.303 1.00 0.00 WAT +ATOM 11960 OH2 TIP3 1884 37.612 -13.057 -43.222 1.00 0.00 WAT +ATOM 11961 H1 TIP3 1884 37.852 -13.392 -42.342 1.00 0.00 WAT +ATOM 11962 H2 TIP3 1884 38.459 -13.101 -43.683 1.00 0.00 WAT +ATOM 11963 OH2 TIP3 1885 40.004 -13.300 -25.827 1.00 0.00 WAT +ATOM 11964 H1 TIP3 1885 39.786 -12.962 -26.712 1.00 0.00 WAT +ATOM 11965 H2 TIP3 1885 40.161 -14.252 -25.980 1.00 0.00 WAT +ATOM 11966 OH2 TIP3 1886 42.923 -11.920 -43.572 1.00 0.00 WAT +ATOM 11967 H1 TIP3 1886 43.075 -11.739 -42.621 1.00 0.00 WAT +ATOM 11968 H2 TIP3 1886 43.294 -12.803 -43.684 1.00 0.00 WAT +ATOM 11969 OH2 TIP3 1887 34.206 -16.356 -25.981 1.00 0.00 WAT +ATOM 11970 H1 TIP3 1887 34.999 -16.922 -25.986 1.00 0.00 WAT +ATOM 11971 H2 TIP3 1887 34.215 -16.056 -25.052 1.00 0.00 WAT +ATOM 11972 OH2 TIP3 1888 37.898 -17.219 -28.605 1.00 0.00 WAT +ATOM 11973 H1 TIP3 1888 37.410 -16.408 -28.363 1.00 0.00 WAT +ATOM 11974 H2 TIP3 1888 38.546 -16.870 -29.240 1.00 0.00 WAT +ATOM 11975 OH2 TIP3 1889 39.956 -16.575 -42.645 1.00 0.00 WAT +ATOM 11976 H1 TIP3 1889 39.899 -16.967 -43.522 1.00 0.00 WAT +ATOM 11977 H2 TIP3 1889 40.892 -16.683 -42.403 1.00 0.00 WAT +ATOM 11978 OH2 TIP3 1890 42.672 -14.819 -24.882 1.00 0.00 WAT +ATOM 11979 H1 TIP3 1890 43.539 -14.845 -25.300 1.00 0.00 WAT +ATOM 11980 H2 TIP3 1890 42.705 -15.592 -24.297 1.00 0.00 WAT +ATOM 11981 OH2 TIP3 1891 38.534 -19.931 -27.402 1.00 0.00 WAT +ATOM 11982 H1 TIP3 1891 38.639 -20.573 -28.127 1.00 0.00 WAT +ATOM 11983 H2 TIP3 1891 38.390 -19.106 -27.895 1.00 0.00 WAT +ATOM 11984 OH2 TIP3 1892 38.861 -21.477 -29.973 1.00 0.00 WAT +ATOM 11985 H1 TIP3 1892 39.377 -20.902 -30.579 1.00 0.00 WAT +ATOM 11986 H2 TIP3 1892 37.958 -21.432 -30.345 1.00 0.00 WAT +ATOM 11987 OH2 TIP3 1893 40.638 -16.093 -29.676 1.00 0.00 WAT +ATOM 11988 H1 TIP3 1893 41.347 -16.076 -30.332 1.00 0.00 WAT +ATOM 11989 H2 TIP3 1893 40.294 -15.188 -29.768 1.00 0.00 WAT +ATOM 11990 OH2 TIP3 1894 36.679 -18.068 -25.644 1.00 0.00 WAT +ATOM 11991 H1 TIP3 1894 36.181 -18.906 -25.642 1.00 0.00 WAT +ATOM 11992 H2 TIP3 1894 37.512 -18.330 -26.067 1.00 0.00 WAT +ATOM 11993 OH2 TIP3 1895 39.716 -24.093 -29.610 1.00 0.00 WAT +ATOM 11994 H1 TIP3 1895 39.477 -23.158 -29.792 1.00 0.00 WAT +ATOM 11995 H2 TIP3 1895 39.059 -24.562 -30.160 1.00 0.00 WAT +ATOM 11996 OH2 TIP3 1896 41.037 -19.692 -25.844 1.00 0.00 WAT +ATOM 11997 H1 TIP3 1896 40.603 -19.871 -24.995 1.00 0.00 WAT +ATOM 11998 H2 TIP3 1896 40.299 -19.870 -26.456 1.00 0.00 WAT +ATOM 11999 OH2 TIP3 1897 35.344 -20.617 -25.788 1.00 0.00 WAT +ATOM 12000 H1 TIP3 1897 35.333 -21.342 -26.431 1.00 0.00 WAT +ATOM 12001 H2 TIP3 1897 35.197 -21.096 -24.950 1.00 0.00 WAT +ATOM 12002 OH2 TIP3 1898 39.443 -24.630 -26.789 1.00 0.00 WAT +ATOM 12003 H1 TIP3 1898 40.044 -25.386 -26.742 1.00 0.00 WAT +ATOM 12004 H2 TIP3 1898 39.415 -24.475 -27.753 1.00 0.00 WAT +ATOM 12005 OH2 TIP3 1899 40.342 -22.846 -24.829 1.00 0.00 WAT +ATOM 12006 H1 TIP3 1899 40.073 -23.378 -25.605 1.00 0.00 WAT +ATOM 12007 H2 TIP3 1899 39.740 -22.087 -24.880 1.00 0.00 WAT +ATOM 12008 OH2 TIP3 1900 39.565 -5.695 -41.629 1.00 0.00 WAT +ATOM 12009 H1 TIP3 1900 40.531 -5.690 -41.626 1.00 0.00 WAT +ATOM 12010 H2 TIP3 1900 39.337 -5.205 -42.433 1.00 0.00 WAT +ATOM 12011 OH2 TIP3 1901 33.339 -11.635 -41.967 1.00 0.00 WAT +ATOM 12012 H1 TIP3 1901 34.267 -11.346 -41.950 1.00 0.00 WAT +ATOM 12013 H2 TIP3 1901 33.327 -12.220 -42.738 1.00 0.00 WAT +ATOM 12014 OH2 TIP3 1902 32.365 -6.139 -37.157 1.00 0.00 WAT +ATOM 12015 H1 TIP3 1902 31.659 -6.538 -37.702 1.00 0.00 WAT +ATOM 12016 H2 TIP3 1902 32.459 -6.809 -36.444 1.00 0.00 WAT +ATOM 12017 OH2 TIP3 1903 32.663 -8.041 -35.163 1.00 0.00 WAT +ATOM 12018 H1 TIP3 1903 32.478 -8.960 -34.927 1.00 0.00 WAT +ATOM 12019 H2 TIP3 1903 33.257 -7.818 -34.409 1.00 0.00 WAT +ATOM 12020 OH2 TIP3 1904 32.810 -14.839 -32.749 1.00 0.00 WAT +ATOM 12021 H1 TIP3 1904 33.051 -14.701 -33.679 1.00 0.00 WAT +ATOM 12022 H2 TIP3 1904 33.701 -15.011 -32.374 1.00 0.00 WAT +ATOM 12023 OH2 TIP3 1905 32.691 -19.391 -26.533 1.00 0.00 WAT +ATOM 12024 H1 TIP3 1905 33.627 -19.613 -26.362 1.00 0.00 WAT +ATOM 12025 H2 TIP3 1905 32.250 -20.241 -26.355 1.00 0.00 WAT +ATOM 12026 OH2 TIP3 1906 33.342 -21.151 -33.422 1.00 0.00 WAT +ATOM 12027 H1 TIP3 1906 33.842 -21.988 -33.469 1.00 0.00 WAT +ATOM 12028 H2 TIP3 1906 34.052 -20.525 -33.194 1.00 0.00 WAT +ATOM 12029 OH2 TIP3 1907 32.033 -18.411 -32.411 1.00 0.00 WAT +ATOM 12030 H1 TIP3 1907 32.568 -18.555 -33.210 1.00 0.00 WAT +ATOM 12031 H2 TIP3 1907 32.407 -17.570 -32.116 1.00 0.00 WAT +ATOM 12032 OH2 TIP3 1908 32.535 -21.995 -38.478 1.00 0.00 WAT +ATOM 12033 H1 TIP3 1908 31.594 -22.046 -38.713 1.00 0.00 WAT +ATOM 12034 H2 TIP3 1908 32.916 -21.463 -39.203 1.00 0.00 WAT +ATOM 12035 OH2 TIP3 1909 32.584 -23.029 -30.273 1.00 0.00 WAT +ATOM 12036 H1 TIP3 1909 31.932 -23.629 -29.902 1.00 0.00 WAT +ATOM 12037 H2 TIP3 1909 32.114 -22.715 -31.064 1.00 0.00 WAT +ATOM 12038 OH2 TIP3 1910 34.429 -10.201 -25.640 1.00 0.00 WAT +ATOM 12039 H1 TIP3 1910 33.780 -10.172 -26.348 1.00 0.00 WAT +ATOM 12040 H2 TIP3 1910 33.933 -10.095 -24.819 1.00 0.00 WAT +ATOM 12041 OH2 TIP3 1911 37.469 -9.066 -29.819 1.00 0.00 WAT +ATOM 12042 H1 TIP3 1911 36.966 -8.454 -30.377 1.00 0.00 WAT +ATOM 12043 H2 TIP3 1911 38.380 -8.929 -30.148 1.00 0.00 WAT +ATOM 12044 OH2 TIP3 1912 42.204 -7.389 -27.062 1.00 0.00 WAT +ATOM 12045 H1 TIP3 1912 42.005 -7.850 -26.223 1.00 0.00 WAT +ATOM 12046 H2 TIP3 1912 43.177 -7.407 -27.026 1.00 0.00 WAT +ATOM 12047 OH2 TIP3 1913 34.776 -6.137 -29.572 1.00 0.00 WAT +ATOM 12048 H1 TIP3 1913 34.210 -5.582 -30.131 1.00 0.00 WAT +ATOM 12049 H2 TIP3 1913 34.349 -6.063 -28.716 1.00 0.00 WAT +ATOM 12050 OH2 TIP3 1914 37.475 -6.117 -30.827 1.00 0.00 WAT +ATOM 12051 H1 TIP3 1914 36.574 -6.261 -30.477 1.00 0.00 WAT +ATOM 12052 H2 TIP3 1914 37.278 -5.919 -31.752 1.00 0.00 WAT +ATOM 12053 OH2 TIP3 1915 42.141 -6.625 -31.633 1.00 0.00 WAT +ATOM 12054 H1 TIP3 1915 41.736 -6.190 -32.403 1.00 0.00 WAT +ATOM 12055 H2 TIP3 1915 42.172 -5.931 -30.980 1.00 0.00 WAT +ATOM 12056 OH2 TIP3 1916 39.160 -7.993 -33.459 1.00 0.00 WAT +ATOM 12057 H1 TIP3 1916 39.005 -8.883 -33.818 1.00 0.00 WAT +ATOM 12058 H2 TIP3 1916 38.908 -8.138 -32.538 1.00 0.00 WAT +ATOM 12059 OH2 TIP3 1917 42.702 -22.655 -34.048 1.00 0.00 WAT +ATOM 12060 H1 TIP3 1917 41.823 -23.054 -33.923 1.00 0.00 WAT +ATOM 12061 H2 TIP3 1917 42.913 -22.954 -34.937 1.00 0.00 WAT +ATOM 12062 OH2 TIP3 1918 35.063 -24.008 -36.612 1.00 0.00 WAT +ATOM 12063 H1 TIP3 1918 34.167 -24.044 -37.004 1.00 0.00 WAT +ATOM 12064 H2 TIP3 1918 35.273 -24.949 -36.563 1.00 0.00 WAT +ATOM 12065 OH2 TIP3 1919 33.522 -23.962 -40.867 1.00 0.00 WAT +ATOM 12066 H1 TIP3 1919 34.183 -23.354 -41.261 1.00 0.00 WAT +ATOM 12067 H2 TIP3 1919 33.296 -23.511 -40.040 1.00 0.00 WAT +ATOM 12068 OH2 TIP3 1920 39.321 -23.734 -36.651 1.00 0.00 WAT +ATOM 12069 H1 TIP3 1920 40.252 -23.454 -36.715 1.00 0.00 WAT +ATOM 12070 H2 TIP3 1920 39.250 -23.855 -35.696 1.00 0.00 WAT +ATOM 12071 OH2 TIP3 1921 33.661 -8.101 -39.661 1.00 0.00 WAT +ATOM 12072 H1 TIP3 1921 32.953 -8.106 -40.326 1.00 0.00 WAT +ATOM 12073 H2 TIP3 1921 33.684 -7.171 -39.413 1.00 0.00 WAT +ATOM 12074 OH2 TIP3 1922 35.270 -22.279 -42.317 1.00 0.00 WAT +ATOM 12075 H1 TIP3 1922 35.842 -22.880 -42.810 1.00 0.00 WAT +ATOM 12076 H2 TIP3 1922 35.919 -21.766 -41.805 1.00 0.00 WAT +ATOM 12077 OH2 TIP3 1923 40.721 -22.094 -39.649 1.00 0.00 WAT +ATOM 12078 H1 TIP3 1923 40.642 -22.655 -38.864 1.00 0.00 WAT +ATOM 12079 H2 TIP3 1923 40.546 -21.213 -39.281 1.00 0.00 WAT +ATOM 12080 OH2 TIP3 1924 42.665 -6.531 -41.493 1.00 0.00 WAT +ATOM 12081 H1 TIP3 1924 43.570 -6.224 -41.669 1.00 0.00 WAT +ATOM 12082 H2 TIP3 1924 42.507 -7.140 -42.245 1.00 0.00 WAT +ATOM 12083 OH2 TIP3 1925 34.558 -23.333 -26.971 1.00 0.00 WAT +ATOM 12084 H1 TIP3 1925 34.220 -24.184 -26.639 1.00 0.00 WAT +ATOM 12085 H2 TIP3 1925 35.503 -23.431 -26.762 1.00 0.00 WAT +ATOM 12086 OH2 TIP3 1926 36.974 -23.941 -25.282 1.00 0.00 WAT +ATOM 12087 H1 TIP3 1926 37.813 -24.274 -25.660 1.00 0.00 WAT +ATOM 12088 H2 TIP3 1926 36.649 -24.739 -24.833 1.00 0.00 WAT +ATOM 12089 OH2 TIP3 1927 35.729 -6.973 -42.307 1.00 0.00 WAT +ATOM 12090 H1 TIP3 1927 35.263 -6.864 -41.471 1.00 0.00 WAT +ATOM 12091 H2 TIP3 1927 36.348 -7.690 -42.117 1.00 0.00 WAT +ATOM 12092 OH2 TIP3 1928 -31.726 4.022 -36.694 1.00 0.00 WAT +ATOM 12093 H1 TIP3 1928 -31.751 4.926 -36.347 1.00 0.00 WAT +ATOM 12094 H2 TIP3 1928 -32.463 4.009 -37.321 1.00 0.00 WAT +ATOM 12095 OH2 TIP3 1929 -40.332 3.108 -31.522 1.00 0.00 WAT +ATOM 12096 H1 TIP3 1929 -40.352 2.335 -30.927 1.00 0.00 WAT +ATOM 12097 H2 TIP3 1929 -39.520 3.541 -31.217 1.00 0.00 WAT +ATOM 12098 OH2 TIP3 1930 -29.045 6.210 -34.890 1.00 0.00 WAT +ATOM 12099 H1 TIP3 1930 -29.593 5.482 -34.518 1.00 0.00 WAT +ATOM 12100 H2 TIP3 1930 -28.790 6.648 -34.078 1.00 0.00 WAT +ATOM 12101 OH2 TIP3 1931 -39.742 7.509 -32.865 1.00 0.00 WAT +ATOM 12102 H1 TIP3 1931 -39.777 6.672 -33.387 1.00 0.00 WAT +ATOM 12103 H2 TIP3 1931 -38.777 7.568 -32.749 1.00 0.00 WAT +ATOM 12104 OH2 TIP3 1932 -41.732 2.043 -38.381 1.00 0.00 WAT +ATOM 12105 H1 TIP3 1932 -42.266 2.657 -37.854 1.00 0.00 WAT +ATOM 12106 H2 TIP3 1932 -42.141 1.208 -38.139 1.00 0.00 WAT +ATOM 12107 OH2 TIP3 1933 -42.075 3.580 -35.781 1.00 0.00 WAT +ATOM 12108 H1 TIP3 1933 -41.858 2.776 -35.277 1.00 0.00 WAT +ATOM 12109 H2 TIP3 1933 -41.237 3.795 -36.204 1.00 0.00 WAT +ATOM 12110 OH2 TIP3 1934 -31.833 11.660 -34.218 1.00 0.00 WAT +ATOM 12111 H1 TIP3 1934 -31.488 10.902 -34.736 1.00 0.00 WAT +ATOM 12112 H2 TIP3 1934 -32.541 11.262 -33.702 1.00 0.00 WAT +ATOM 12113 OH2 TIP3 1935 -34.207 5.901 -32.622 1.00 0.00 WAT +ATOM 12114 H1 TIP3 1935 -33.860 5.234 -33.239 1.00 0.00 WAT +ATOM 12115 H2 TIP3 1935 -33.384 6.054 -32.127 1.00 0.00 WAT +ATOM 12116 OH2 TIP3 1936 -25.538 -2.511 -31.975 1.00 0.00 WAT +ATOM 12117 H1 TIP3 1936 -25.393 -1.855 -31.272 1.00 0.00 WAT +ATOM 12118 H2 TIP3 1936 -24.987 -2.137 -32.685 1.00 0.00 WAT +ATOM 12119 OH2 TIP3 1937 -30.936 0.317 -32.104 1.00 0.00 WAT +ATOM 12120 H1 TIP3 1937 -30.818 -0.645 -32.149 1.00 0.00 WAT +ATOM 12121 H2 TIP3 1937 -31.024 0.550 -33.039 1.00 0.00 WAT +ATOM 12122 OH2 TIP3 1938 -38.039 -1.662 -35.052 1.00 0.00 WAT +ATOM 12123 H1 TIP3 1938 -37.842 -0.815 -35.500 1.00 0.00 WAT +ATOM 12124 H2 TIP3 1938 -38.347 -2.192 -35.811 1.00 0.00 WAT +ATOM 12125 OH2 TIP3 1939 -30.154 -1.598 -36.818 1.00 0.00 WAT +ATOM 12126 H1 TIP3 1939 -29.603 -1.969 -36.099 1.00 0.00 WAT +ATOM 12127 H2 TIP3 1939 -29.513 -1.034 -37.272 1.00 0.00 WAT +ATOM 12128 OH2 TIP3 1940 -41.372 1.126 -34.507 1.00 0.00 WAT +ATOM 12129 H1 TIP3 1940 -40.777 0.675 -33.882 1.00 0.00 WAT +ATOM 12130 H2 TIP3 1940 -41.244 0.577 -35.299 1.00 0.00 WAT +ATOM 12131 OH2 TIP3 1941 -35.963 2.467 -35.051 1.00 0.00 WAT +ATOM 12132 H1 TIP3 1941 -35.176 2.006 -34.678 1.00 0.00 WAT +ATOM 12133 H2 TIP3 1941 -36.393 1.732 -35.523 1.00 0.00 WAT +ATOM 12134 OH2 TIP3 1942 -24.802 -1.050 -29.499 1.00 0.00 WAT +ATOM 12135 H1 TIP3 1942 -25.431 -0.373 -29.806 1.00 0.00 WAT +ATOM 12136 H2 TIP3 1942 -25.148 -1.190 -28.604 1.00 0.00 WAT +ATOM 12137 OH2 TIP3 1943 -39.156 -2.835 -30.938 1.00 0.00 WAT +ATOM 12138 H1 TIP3 1943 -39.600 -2.379 -31.668 1.00 0.00 WAT +ATOM 12139 H2 TIP3 1943 -39.728 -2.644 -30.186 1.00 0.00 WAT +ATOM 12140 OH2 TIP3 1944 -31.669 6.985 -37.527 1.00 0.00 WAT +ATOM 12141 H1 TIP3 1944 -32.014 6.660 -38.360 1.00 0.00 WAT +ATOM 12142 H2 TIP3 1944 -32.169 7.797 -37.384 1.00 0.00 WAT +ATOM 12143 OH2 TIP3 1945 -36.272 5.037 -30.721 1.00 0.00 WAT +ATOM 12144 H1 TIP3 1945 -37.019 5.647 -30.565 1.00 0.00 WAT +ATOM 12145 H2 TIP3 1945 -35.619 5.592 -31.182 1.00 0.00 WAT +ATOM 12146 OH2 TIP3 1946 -28.265 -2.297 -34.675 1.00 0.00 WAT +ATOM 12147 H1 TIP3 1946 -28.783 -2.773 -34.013 1.00 0.00 WAT +ATOM 12148 H2 TIP3 1946 -27.837 -1.613 -34.126 1.00 0.00 WAT +ATOM 12149 OH2 TIP3 1947 -39.591 -0.788 -32.969 1.00 0.00 WAT +ATOM 12150 H1 TIP3 1947 -38.923 -0.239 -32.498 1.00 0.00 WAT +ATOM 12151 H2 TIP3 1947 -39.020 -1.164 -33.678 1.00 0.00 WAT +ATOM 12152 OH2 TIP3 1948 -38.378 6.877 -30.102 1.00 0.00 WAT +ATOM 12153 H1 TIP3 1948 -38.346 7.836 -30.264 1.00 0.00 WAT +ATOM 12154 H2 TIP3 1948 -39.166 6.765 -29.544 1.00 0.00 WAT +ATOM 12155 OH2 TIP3 1949 -41.828 6.527 -39.153 1.00 0.00 WAT +ATOM 12156 H1 TIP3 1949 -42.590 6.711 -39.746 1.00 0.00 WAT +ATOM 12157 H2 TIP3 1949 -41.982 7.144 -38.427 1.00 0.00 WAT +ATOM 12158 OH2 TIP3 1950 -28.639 8.126 -32.114 1.00 0.00 WAT +ATOM 12159 H1 TIP3 1950 -29.554 7.864 -32.285 1.00 0.00 WAT +ATOM 12160 H2 TIP3 1950 -28.445 8.785 -32.795 1.00 0.00 WAT +ATOM 12161 OH2 TIP3 1951 -28.164 -3.148 -30.928 1.00 0.00 WAT +ATOM 12162 H1 TIP3 1951 -28.935 -2.664 -31.276 1.00 0.00 WAT +ATOM 12163 H2 TIP3 1951 -27.458 -2.887 -31.548 1.00 0.00 WAT +ATOM 12164 OH2 TIP3 1952 -35.065 -5.393 -33.826 1.00 0.00 WAT +ATOM 12165 H1 TIP3 1952 -35.294 -6.341 -33.835 1.00 0.00 WAT +ATOM 12166 H2 TIP3 1952 -35.870 -4.999 -33.430 1.00 0.00 WAT +ATOM 12167 OH2 TIP3 1953 -30.178 9.969 -35.678 1.00 0.00 WAT +ATOM 12168 H1 TIP3 1953 -29.784 9.145 -36.043 1.00 0.00 WAT +ATOM 12169 H2 TIP3 1953 -29.462 10.611 -35.857 1.00 0.00 WAT +ATOM 12170 OH2 TIP3 1954 -28.769 7.893 -37.134 1.00 0.00 WAT +ATOM 12171 H1 TIP3 1954 -29.251 7.444 -37.845 1.00 0.00 WAT +ATOM 12172 H2 TIP3 1954 -28.780 7.195 -36.445 1.00 0.00 WAT +ATOM 12173 OH2 TIP3 1955 -27.260 6.685 -28.813 1.00 0.00 WAT +ATOM 12174 H1 TIP3 1955 -27.366 5.919 -29.410 1.00 0.00 WAT +ATOM 12175 H2 TIP3 1955 -26.972 7.381 -29.419 1.00 0.00 WAT +ATOM 12176 OH2 TIP3 1956 -33.005 3.509 -39.194 1.00 0.00 WAT +ATOM 12177 H1 TIP3 1956 -33.638 4.150 -39.564 1.00 0.00 WAT +ATOM 12178 H2 TIP3 1956 -32.249 3.579 -39.798 1.00 0.00 WAT +ATOM 12179 OH2 TIP3 1957 -32.763 1.795 -42.099 1.00 0.00 WAT +ATOM 12180 H1 TIP3 1957 -32.114 2.073 -41.432 1.00 0.00 WAT +ATOM 12181 H2 TIP3 1957 -32.204 1.184 -42.631 1.00 0.00 WAT +ATOM 12182 OH2 TIP3 1958 -25.450 2.893 -30.777 1.00 0.00 WAT +ATOM 12183 H1 TIP3 1958 -26.250 3.441 -30.677 1.00 0.00 WAT +ATOM 12184 H2 TIP3 1958 -25.053 3.256 -31.589 1.00 0.00 WAT +ATOM 12185 OH2 TIP3 1959 -29.355 3.527 -37.965 1.00 0.00 WAT +ATOM 12186 H1 TIP3 1959 -30.090 3.722 -37.335 1.00 0.00 WAT +ATOM 12187 H2 TIP3 1959 -28.785 2.967 -37.406 1.00 0.00 WAT +ATOM 12188 OH2 TIP3 1960 -29.597 2.062 -29.195 1.00 0.00 WAT +ATOM 12189 H1 TIP3 1960 -29.503 2.814 -28.595 1.00 0.00 WAT +ATOM 12190 H2 TIP3 1960 -30.283 2.404 -29.791 1.00 0.00 WAT +ATOM 12191 OH2 TIP3 1961 -37.841 4.334 -36.151 1.00 0.00 WAT +ATOM 12192 H1 TIP3 1961 -38.139 3.883 -36.965 1.00 0.00 WAT +ATOM 12193 H2 TIP3 1961 -37.190 3.693 -35.801 1.00 0.00 WAT +ATOM 12194 OH2 TIP3 1962 -36.432 7.711 -33.402 1.00 0.00 WAT +ATOM 12195 H1 TIP3 1962 -36.535 7.326 -34.283 1.00 0.00 WAT +ATOM 12196 H2 TIP3 1962 -35.655 7.217 -33.072 1.00 0.00 WAT +ATOM 12197 OH2 TIP3 1963 -37.325 3.234 -32.691 1.00 0.00 WAT +ATOM 12198 H1 TIP3 1963 -36.718 3.139 -33.455 1.00 0.00 WAT +ATOM 12199 H2 TIP3 1963 -36.800 3.770 -32.070 1.00 0.00 WAT +ATOM 12200 OH2 TIP3 1964 -36.386 7.529 -27.861 1.00 0.00 WAT +ATOM 12201 H1 TIP3 1964 -36.924 8.111 -27.297 1.00 0.00 WAT +ATOM 12202 H2 TIP3 1964 -37.042 7.170 -28.479 1.00 0.00 WAT +ATOM 12203 OH2 TIP3 1965 -30.373 3.064 -40.565 1.00 0.00 WAT +ATOM 12204 H1 TIP3 1965 -29.938 3.271 -39.710 1.00 0.00 WAT +ATOM 12205 H2 TIP3 1965 -29.741 3.463 -41.195 1.00 0.00 WAT +ATOM 12206 OH2 TIP3 1966 -39.582 3.923 -28.726 1.00 0.00 WAT +ATOM 12207 H1 TIP3 1966 -39.496 4.422 -27.897 1.00 0.00 WAT +ATOM 12208 H2 TIP3 1966 -40.546 3.765 -28.755 1.00 0.00 WAT +ATOM 12209 OH2 TIP3 1967 -33.379 9.701 -36.628 1.00 0.00 WAT +ATOM 12210 H1 TIP3 1967 -32.446 9.802 -36.419 1.00 0.00 WAT +ATOM 12211 H2 TIP3 1967 -33.539 10.418 -37.259 1.00 0.00 WAT +ATOM 12212 OH2 TIP3 1968 -38.366 9.643 -26.985 1.00 0.00 WAT +ATOM 12213 H1 TIP3 1968 -38.452 9.682 -27.950 1.00 0.00 WAT +ATOM 12214 H2 TIP3 1968 -39.273 9.449 -26.680 1.00 0.00 WAT +ATOM 12215 OH2 TIP3 1969 -26.935 -5.339 -40.753 1.00 0.00 WAT +ATOM 12216 H1 TIP3 1969 -27.885 -5.233 -40.553 1.00 0.00 WAT +ATOM 12217 H2 TIP3 1969 -26.696 -4.435 -41.007 1.00 0.00 WAT +ATOM 12218 OH2 TIP3 1970 -38.926 3.059 -38.676 1.00 0.00 WAT +ATOM 12219 H1 TIP3 1970 -39.201 3.821 -39.212 1.00 0.00 WAT +ATOM 12220 H2 TIP3 1970 -39.703 2.478 -38.770 1.00 0.00 WAT +ATOM 12221 OH2 TIP3 1971 -25.820 9.005 -42.532 1.00 0.00 WAT +ATOM 12222 H1 TIP3 1971 -25.573 9.771 -42.000 1.00 0.00 WAT +ATOM 12223 H2 TIP3 1971 -25.123 8.351 -42.358 1.00 0.00 WAT +ATOM 12224 OH2 TIP3 1972 -24.443 9.296 -27.231 1.00 0.00 WAT +ATOM 12225 H1 TIP3 1972 -24.536 8.332 -27.368 1.00 0.00 WAT +ATOM 12226 H2 TIP3 1972 -25.342 9.516 -26.904 1.00 0.00 WAT +ATOM 12227 OH2 TIP3 1973 -33.847 8.575 -28.449 1.00 0.00 WAT +ATOM 12228 H1 TIP3 1973 -33.720 9.323 -27.837 1.00 0.00 WAT +ATOM 12229 H2 TIP3 1973 -34.709 8.212 -28.160 1.00 0.00 WAT +ATOM 12230 OH2 TIP3 1974 -33.516 12.334 -38.447 1.00 0.00 WAT +ATOM 12231 H1 TIP3 1974 -33.504 12.417 -39.412 1.00 0.00 WAT +ATOM 12232 H2 TIP3 1974 -33.418 13.250 -38.145 1.00 0.00 WAT +ATOM 12233 OH2 TIP3 1975 -39.765 11.470 -36.794 1.00 0.00 WAT +ATOM 12234 H1 TIP3 1975 -39.534 11.060 -35.940 1.00 0.00 WAT +ATOM 12235 H2 TIP3 1975 -40.538 10.928 -37.035 1.00 0.00 WAT +ATOM 12236 OH2 TIP3 1976 -30.595 12.194 -40.260 1.00 0.00 WAT +ATOM 12237 H1 TIP3 1976 -30.980 11.462 -40.754 1.00 0.00 WAT +ATOM 12238 H2 TIP3 1976 -29.797 11.753 -39.942 1.00 0.00 WAT +ATOM 12239 OH2 TIP3 1977 -30.975 10.235 -38.396 1.00 0.00 WAT +ATOM 12240 H1 TIP3 1977 -31.437 11.077 -38.478 1.00 0.00 WAT +ATOM 12241 H2 TIP3 1977 -30.405 10.345 -37.625 1.00 0.00 WAT +ATOM 12242 OH2 TIP3 1978 -41.040 6.851 -28.868 1.00 0.00 WAT +ATOM 12243 H1 TIP3 1978 -40.588 6.820 -28.001 1.00 0.00 WAT +ATOM 12244 H2 TIP3 1978 -41.708 6.161 -28.717 1.00 0.00 WAT +ATOM 12245 OH2 TIP3 1979 -37.484 -4.230 -32.900 1.00 0.00 WAT +ATOM 12246 H1 TIP3 1979 -38.310 -4.306 -33.407 1.00 0.00 WAT +ATOM 12247 H2 TIP3 1979 -37.706 -3.493 -32.308 1.00 0.00 WAT +ATOM 12248 OH2 TIP3 1980 -33.103 -4.724 -29.282 1.00 0.00 WAT +ATOM 12249 H1 TIP3 1980 -32.588 -5.173 -28.588 1.00 0.00 WAT +ATOM 12250 H2 TIP3 1980 -34.018 -5.013 -29.105 1.00 0.00 WAT +ATOM 12251 OH2 TIP3 1981 -30.091 -0.893 -28.964 1.00 0.00 WAT +ATOM 12252 H1 TIP3 1981 -30.268 -1.050 -28.024 1.00 0.00 WAT +ATOM 12253 H2 TIP3 1981 -29.891 0.060 -28.973 1.00 0.00 WAT +ATOM 12254 OH2 TIP3 1982 -28.156 3.862 -42.505 1.00 0.00 WAT +ATOM 12255 H1 TIP3 1982 -28.589 3.652 -43.344 1.00 0.00 WAT +ATOM 12256 H2 TIP3 1982 -27.844 4.756 -42.708 1.00 0.00 WAT +ATOM 12257 OH2 TIP3 1983 -33.288 -2.250 -42.161 1.00 0.00 WAT +ATOM 12258 H1 TIP3 1983 -33.823 -2.225 -41.357 1.00 0.00 WAT +ATOM 12259 H2 TIP3 1983 -33.722 -2.962 -42.648 1.00 0.00 WAT +ATOM 12260 OH2 TIP3 1984 -37.684 0.566 -31.518 1.00 0.00 WAT +ATOM 12261 H1 TIP3 1984 -38.125 0.706 -30.665 1.00 0.00 WAT +ATOM 12262 H2 TIP3 1984 -37.530 1.479 -31.830 1.00 0.00 WAT +ATOM 12263 OH2 TIP3 1985 -37.709 0.617 -36.603 1.00 0.00 WAT +ATOM 12264 H1 TIP3 1985 -38.661 0.538 -36.795 1.00 0.00 WAT +ATOM 12265 H2 TIP3 1985 -37.333 0.459 -37.490 1.00 0.00 WAT +ATOM 12266 OH2 TIP3 1986 -32.015 1.093 -37.925 1.00 0.00 WAT +ATOM 12267 H1 TIP3 1986 -32.400 1.960 -38.153 1.00 0.00 WAT +ATOM 12268 H2 TIP3 1986 -31.346 0.978 -38.619 1.00 0.00 WAT +ATOM 12269 OH2 TIP3 1987 -32.773 1.397 -26.319 1.00 0.00 WAT +ATOM 12270 H1 TIP3 1987 -33.268 0.592 -26.064 1.00 0.00 WAT +ATOM 12271 H2 TIP3 1987 -31.849 1.132 -26.171 1.00 0.00 WAT +ATOM 12272 OH2 TIP3 1988 -31.284 0.542 -35.020 1.00 0.00 WAT +ATOM 12273 H1 TIP3 1988 -31.440 1.224 -35.695 1.00 0.00 WAT +ATOM 12274 H2 TIP3 1988 -31.027 -0.207 -35.584 1.00 0.00 WAT +ATOM 12275 OH2 TIP3 1989 -40.305 0.738 -29.608 1.00 0.00 WAT +ATOM 12276 H1 TIP3 1989 -39.859 1.093 -28.827 1.00 0.00 WAT +ATOM 12277 H2 TIP3 1989 -40.602 -0.118 -29.284 1.00 0.00 WAT +ATOM 12278 OH2 TIP3 1990 -36.515 -1.867 -43.105 1.00 0.00 WAT +ATOM 12279 H1 TIP3 1990 -36.885 -2.148 -42.249 1.00 0.00 WAT +ATOM 12280 H2 TIP3 1990 -37.270 -1.363 -43.473 1.00 0.00 WAT +ATOM 12281 OH2 TIP3 1991 -43.158 -1.686 -35.978 1.00 0.00 WAT +ATOM 12282 H1 TIP3 1991 -43.045 -1.950 -35.047 1.00 0.00 WAT +ATOM 12283 H2 TIP3 1991 -42.832 -2.457 -36.447 1.00 0.00 WAT +ATOM 12284 OH2 TIP3 1992 -42.129 -1.048 -40.135 1.00 0.00 WAT +ATOM 12285 H1 TIP3 1992 -41.486 -1.000 -40.861 1.00 0.00 WAT +ATOM 12286 H2 TIP3 1992 -42.966 -0.895 -40.588 1.00 0.00 WAT +ATOM 12287 OH2 TIP3 1993 -32.296 2.256 -30.289 1.00 0.00 WAT +ATOM 12288 H1 TIP3 1993 -31.821 1.955 -31.085 1.00 0.00 WAT +ATOM 12289 H2 TIP3 1993 -32.365 1.436 -29.786 1.00 0.00 WAT +ATOM 12290 OH2 TIP3 1994 -34.917 -1.781 -35.573 1.00 0.00 WAT +ATOM 12291 H1 TIP3 1994 -35.837 -1.803 -35.270 1.00 0.00 WAT +ATOM 12292 H2 TIP3 1994 -34.436 -1.888 -34.733 1.00 0.00 WAT +ATOM 12293 OH2 TIP3 1995 -40.367 -0.519 -36.955 1.00 0.00 WAT +ATOM 12294 H1 TIP3 1995 -41.226 -0.518 -37.389 1.00 0.00 WAT +ATOM 12295 H2 TIP3 1995 -39.980 -1.352 -37.289 1.00 0.00 WAT +ATOM 12296 OH2 TIP3 1996 -36.734 -0.201 -39.251 1.00 0.00 WAT +ATOM 12297 H1 TIP3 1996 -35.768 -0.136 -39.130 1.00 0.00 WAT +ATOM 12298 H2 TIP3 1996 -36.932 0.452 -39.941 1.00 0.00 WAT +ATOM 12299 OH2 TIP3 1997 -30.553 -2.662 -32.598 1.00 0.00 WAT +ATOM 12300 H1 TIP3 1997 -31.150 -2.629 -31.819 1.00 0.00 WAT +ATOM 12301 H2 TIP3 1997 -31.194 -2.932 -33.278 1.00 0.00 WAT +ATOM 12302 OH2 TIP3 1998 -38.169 1.011 -41.626 1.00 0.00 WAT +ATOM 12303 H1 TIP3 1998 -38.735 0.456 -42.188 1.00 0.00 WAT +ATOM 12304 H2 TIP3 1998 -37.382 1.141 -42.169 1.00 0.00 WAT +ATOM 12305 OH2 TIP3 1999 -27.530 13.161 -25.900 1.00 0.00 WAT +ATOM 12306 H1 TIP3 1999 -27.267 13.589 -26.734 1.00 0.00 WAT +ATOM 12307 H2 TIP3 1999 -26.826 13.446 -25.295 1.00 0.00 WAT +ATOM 12308 OH2 TIP3 2000 -39.504 5.879 -26.504 1.00 0.00 WAT +ATOM 12309 H1 TIP3 2000 -38.891 5.823 -25.739 1.00 0.00 WAT +ATOM 12310 H2 TIP3 2000 -40.359 5.900 -26.020 1.00 0.00 WAT +ATOM 12311 OH2 TIP3 2001 -34.000 0.831 -33.768 1.00 0.00 WAT +ATOM 12312 H1 TIP3 2001 -33.108 0.683 -34.124 1.00 0.00 WAT +ATOM 12313 H2 TIP3 2001 -33.977 0.304 -32.952 1.00 0.00 WAT +ATOM 12314 OH2 TIP3 2002 -38.721 -2.857 -37.551 1.00 0.00 WAT +ATOM 12315 H1 TIP3 2002 -39.154 -3.719 -37.478 1.00 0.00 WAT +ATOM 12316 H2 TIP3 2002 -37.870 -3.098 -37.946 1.00 0.00 WAT +ATOM 12317 OH2 TIP3 2003 -34.967 -0.839 -31.510 1.00 0.00 WAT +ATOM 12318 H1 TIP3 2003 -35.653 -0.157 -31.505 1.00 0.00 WAT +ATOM 12319 H2 TIP3 2003 -34.382 -0.579 -30.773 1.00 0.00 WAT +ATOM 12320 OH2 TIP3 2004 -34.782 5.648 -39.611 1.00 0.00 WAT +ATOM 12321 H1 TIP3 2004 -35.542 5.124 -39.937 1.00 0.00 WAT +ATOM 12322 H2 TIP3 2004 -34.948 5.671 -38.638 1.00 0.00 WAT +ATOM 12323 OH2 TIP3 2005 -27.865 4.762 -31.046 1.00 0.00 WAT +ATOM 12324 H1 TIP3 2005 -27.335 5.221 -31.718 1.00 0.00 WAT +ATOM 12325 H2 TIP3 2005 -28.700 4.589 -31.523 1.00 0.00 WAT +ATOM 12326 OH2 TIP3 2006 -30.624 -1.586 -41.880 1.00 0.00 WAT +ATOM 12327 H1 TIP3 2006 -31.602 -1.634 -41.847 1.00 0.00 WAT +ATOM 12328 H2 TIP3 2006 -30.394 -0.864 -41.260 1.00 0.00 WAT +ATOM 12329 OH2 TIP3 2007 -33.190 5.670 -28.382 1.00 0.00 WAT +ATOM 12330 H1 TIP3 2007 -33.357 5.245 -27.530 1.00 0.00 WAT +ATOM 12331 H2 TIP3 2007 -33.489 6.579 -28.248 1.00 0.00 WAT +ATOM 12332 OH2 TIP3 2008 -29.998 0.232 -39.905 1.00 0.00 WAT +ATOM 12333 H1 TIP3 2008 -29.153 0.048 -39.446 1.00 0.00 WAT +ATOM 12334 H2 TIP3 2008 -29.833 1.107 -40.296 1.00 0.00 WAT +ATOM 12335 OH2 TIP3 2009 -39.679 4.997 -33.885 1.00 0.00 WAT +ATOM 12336 H1 TIP3 2009 -39.071 4.843 -34.632 1.00 0.00 WAT +ATOM 12337 H2 TIP3 2009 -39.597 4.156 -33.404 1.00 0.00 WAT +ATOM 12338 OH2 TIP3 2010 -32.350 6.951 -40.728 1.00 0.00 WAT +ATOM 12339 H1 TIP3 2010 -32.577 7.819 -40.341 1.00 0.00 WAT +ATOM 12340 H2 TIP3 2010 -33.104 6.416 -40.420 1.00 0.00 WAT +ATOM 12341 OH2 TIP3 2011 -42.318 3.650 -28.340 1.00 0.00 WAT +ATOM 12342 H1 TIP3 2011 -42.258 2.990 -27.627 1.00 0.00 WAT +ATOM 12343 H2 TIP3 2011 -42.865 3.176 -29.006 1.00 0.00 WAT +ATOM 12344 OH2 TIP3 2012 -35.376 2.784 -26.566 1.00 0.00 WAT +ATOM 12345 H1 TIP3 2012 -35.633 2.535 -27.470 1.00 0.00 WAT +ATOM 12346 H2 TIP3 2012 -34.452 2.475 -26.555 1.00 0.00 WAT +ATOM 12347 OH2 TIP3 2013 -30.865 8.815 -28.808 1.00 0.00 WAT +ATOM 12348 H1 TIP3 2013 -31.648 8.286 -29.052 1.00 0.00 WAT +ATOM 12349 H2 TIP3 2013 -30.722 8.515 -27.891 1.00 0.00 WAT +ATOM 12350 OH2 TIP3 2014 -25.272 0.324 -40.007 1.00 0.00 WAT +ATOM 12351 H1 TIP3 2014 -25.927 0.152 -40.713 1.00 0.00 WAT +ATOM 12352 H2 TIP3 2014 -25.165 1.280 -40.161 1.00 0.00 WAT +ATOM 12353 OH2 TIP3 2015 -24.904 6.414 -27.275 1.00 0.00 WAT +ATOM 12354 H1 TIP3 2015 -25.860 6.524 -27.460 1.00 0.00 WAT +ATOM 12355 H2 TIP3 2015 -24.588 6.104 -28.147 1.00 0.00 WAT +ATOM 12356 OH2 TIP3 2016 -26.979 8.905 -39.882 1.00 0.00 WAT +ATOM 12357 H1 TIP3 2016 -27.366 8.151 -39.411 1.00 0.00 WAT +ATOM 12358 H2 TIP3 2016 -26.801 8.522 -40.756 1.00 0.00 WAT +ATOM 12359 OH2 TIP3 2017 -37.319 8.327 -36.430 1.00 0.00 WAT +ATOM 12360 H1 TIP3 2017 -36.828 9.137 -36.643 1.00 0.00 WAT +ATOM 12361 H2 TIP3 2017 -38.183 8.503 -36.821 1.00 0.00 WAT +ATOM 12362 OH2 TIP3 2018 -41.476 3.075 -41.638 1.00 0.00 WAT +ATOM 12363 H1 TIP3 2018 -40.770 3.699 -41.379 1.00 0.00 WAT +ATOM 12364 H2 TIP3 2018 -42.200 3.686 -41.838 1.00 0.00 WAT +ATOM 12365 OH2 TIP3 2019 -35.438 6.015 -36.932 1.00 0.00 WAT +ATOM 12366 H1 TIP3 2019 -35.765 6.906 -36.735 1.00 0.00 WAT +ATOM 12367 H2 TIP3 2019 -36.081 5.463 -36.460 1.00 0.00 WAT +ATOM 12368 OH2 TIP3 2020 -35.267 10.253 -30.553 1.00 0.00 WAT +ATOM 12369 H1 TIP3 2020 -34.715 11.034 -30.692 1.00 0.00 WAT +ATOM 12370 H2 TIP3 2020 -34.696 9.714 -29.973 1.00 0.00 WAT +ATOM 12371 OH2 TIP3 2021 -36.827 11.201 -37.348 1.00 0.00 WAT +ATOM 12372 H1 TIP3 2021 -37.781 11.340 -37.253 1.00 0.00 WAT +ATOM 12373 H2 TIP3 2021 -36.471 12.070 -37.082 1.00 0.00 WAT +ATOM 12374 OH2 TIP3 2022 -31.726 6.587 -30.798 1.00 0.00 WAT +ATOM 12375 H1 TIP3 2022 -32.180 5.990 -30.184 1.00 0.00 WAT +ATOM 12376 H2 TIP3 2022 -31.364 5.935 -31.449 1.00 0.00 WAT +ATOM 12377 OH2 TIP3 2023 -29.806 7.386 -41.978 1.00 0.00 WAT +ATOM 12378 H1 TIP3 2023 -29.204 6.976 -41.334 1.00 0.00 WAT +ATOM 12379 H2 TIP3 2023 -30.656 7.175 -41.561 1.00 0.00 WAT +ATOM 12380 OH2 TIP3 2024 -28.828 10.582 -28.562 1.00 0.00 WAT +ATOM 12381 H1 TIP3 2024 -29.589 9.980 -28.747 1.00 0.00 WAT +ATOM 12382 H2 TIP3 2024 -28.931 11.334 -29.167 1.00 0.00 WAT +ATOM 12383 OH2 TIP3 2025 -24.776 11.738 -41.525 1.00 0.00 WAT +ATOM 12384 H1 TIP3 2025 -24.081 12.426 -41.425 1.00 0.00 WAT +ATOM 12385 H2 TIP3 2025 -25.580 12.260 -41.329 1.00 0.00 WAT +ATOM 12386 OH2 TIP3 2026 -41.301 -2.308 -28.706 1.00 0.00 WAT +ATOM 12387 H1 TIP3 2026 -41.671 -1.773 -29.423 1.00 0.00 WAT +ATOM 12388 H2 TIP3 2026 -41.145 -3.184 -29.086 1.00 0.00 WAT +ATOM 12389 OH2 TIP3 2027 -28.701 5.925 -39.665 1.00 0.00 WAT +ATOM 12390 H1 TIP3 2027 -28.975 5.191 -39.086 1.00 0.00 WAT +ATOM 12391 H2 TIP3 2027 -27.730 5.856 -39.607 1.00 0.00 WAT +ATOM 12392 OH2 TIP3 2028 -41.301 9.521 -30.455 1.00 0.00 WAT +ATOM 12393 H1 TIP3 2028 -40.598 8.894 -30.269 1.00 0.00 WAT +ATOM 12394 H2 TIP3 2028 -41.168 10.168 -29.746 1.00 0.00 WAT +ATOM 12395 OH2 TIP3 2029 -35.189 8.334 -43.240 1.00 0.00 WAT +ATOM 12396 H1 TIP3 2029 -34.806 7.493 -43.550 1.00 0.00 WAT +ATOM 12397 H2 TIP3 2029 -35.755 8.017 -42.511 1.00 0.00 WAT +ATOM 12398 OH2 TIP3 2030 -36.662 7.865 -40.734 1.00 0.00 WAT +ATOM 12399 H1 TIP3 2030 -36.119 7.313 -40.150 1.00 0.00 WAT +ATOM 12400 H2 TIP3 2030 -36.418 8.771 -40.467 1.00 0.00 WAT +ATOM 12401 OH2 TIP3 2031 -39.869 5.246 -40.432 1.00 0.00 WAT +ATOM 12402 H1 TIP3 2031 -40.587 5.640 -39.881 1.00 0.00 WAT +ATOM 12403 H2 TIP3 2031 -39.382 6.053 -40.659 1.00 0.00 WAT +ATOM 12404 OH2 TIP3 2032 -32.167 -2.254 -30.396 1.00 0.00 WAT +ATOM 12405 H1 TIP3 2032 -31.517 -1.883 -29.766 1.00 0.00 WAT +ATOM 12406 H2 TIP3 2032 -32.570 -2.989 -29.897 1.00 0.00 WAT +ATOM 12407 OH2 TIP3 2033 -31.473 -2.694 -39.221 1.00 0.00 WAT +ATOM 12408 H1 TIP3 2033 -31.166 -2.158 -39.968 1.00 0.00 WAT +ATOM 12409 H2 TIP3 2033 -30.998 -2.285 -38.476 1.00 0.00 WAT +ATOM 12410 OH2 TIP3 2034 -33.735 9.463 -40.234 1.00 0.00 WAT +ATOM 12411 H1 TIP3 2034 -34.518 9.996 -40.028 1.00 0.00 WAT +ATOM 12412 H2 TIP3 2034 -33.233 10.062 -40.794 1.00 0.00 WAT +ATOM 12413 OH2 TIP3 2035 -34.085 -0.764 -38.151 1.00 0.00 WAT +ATOM 12414 H1 TIP3 2035 -33.283 -0.210 -38.022 1.00 0.00 WAT +ATOM 12415 H2 TIP3 2035 -34.333 -0.948 -37.223 1.00 0.00 WAT +ATOM 12416 OH2 TIP3 2036 -33.731 0.077 -28.915 1.00 0.00 WAT +ATOM 12417 H1 TIP3 2036 -33.546 0.637 -28.147 1.00 0.00 WAT +ATOM 12418 H2 TIP3 2036 -33.118 -0.660 -28.777 1.00 0.00 WAT +ATOM 12419 OH2 TIP3 2037 -33.432 -3.757 -37.257 1.00 0.00 WAT +ATOM 12420 H1 TIP3 2037 -33.604 -3.106 -36.549 1.00 0.00 WAT +ATOM 12421 H2 TIP3 2037 -32.701 -3.318 -37.735 1.00 0.00 WAT +ATOM 12422 OH2 TIP3 2038 -36.479 10.659 -40.248 1.00 0.00 WAT +ATOM 12423 H1 TIP3 2038 -36.453 11.516 -40.720 1.00 0.00 WAT +ATOM 12424 H2 TIP3 2038 -36.608 10.934 -39.322 1.00 0.00 WAT +ATOM 12425 OH2 TIP3 2039 -37.727 -2.690 -40.749 1.00 0.00 WAT +ATOM 12426 H1 TIP3 2039 -37.707 -1.931 -40.141 1.00 0.00 WAT +ATOM 12427 H2 TIP3 2039 -36.966 -3.208 -40.425 1.00 0.00 WAT +ATOM 12428 OH2 TIP3 2040 -27.261 -2.063 -28.277 1.00 0.00 WAT +ATOM 12429 H1 TIP3 2040 -28.057 -1.585 -27.994 1.00 0.00 WAT +ATOM 12430 H2 TIP3 2040 -27.393 -2.068 -29.236 1.00 0.00 WAT +ATOM 12431 OH2 TIP3 2041 -28.667 1.987 -34.179 1.00 0.00 WAT +ATOM 12432 H1 TIP3 2041 -29.617 2.096 -34.014 1.00 0.00 WAT +ATOM 12433 H2 TIP3 2041 -28.410 1.317 -33.522 1.00 0.00 WAT +ATOM 12434 OH2 TIP3 2042 -39.336 8.173 -41.534 1.00 0.00 WAT +ATOM 12435 H1 TIP3 2042 -38.484 8.400 -41.121 1.00 0.00 WAT +ATOM 12436 H2 TIP3 2042 -39.019 7.696 -42.318 1.00 0.00 WAT +ATOM 12437 OH2 TIP3 2043 -40.973 0.476 -42.797 1.00 0.00 WAT +ATOM 12438 H1 TIP3 2043 -41.006 1.302 -42.276 1.00 0.00 WAT +ATOM 12439 H2 TIP3 2043 -41.893 0.179 -42.830 1.00 0.00 WAT +ATOM 12440 OH2 TIP3 2044 -28.120 10.936 -32.610 1.00 0.00 WAT +ATOM 12441 H1 TIP3 2044 -28.015 11.715 -33.199 1.00 0.00 WAT +ATOM 12442 H2 TIP3 2044 -27.184 10.770 -32.394 1.00 0.00 WAT +ATOM 12443 OH2 TIP3 2045 -40.302 -4.731 -33.726 1.00 0.00 WAT +ATOM 12444 H1 TIP3 2045 -40.583 -4.794 -34.656 1.00 0.00 WAT +ATOM 12445 H2 TIP3 2045 -40.662 -5.562 -33.350 1.00 0.00 WAT +ATOM 12446 OH2 TIP3 2046 -41.350 9.021 -37.377 1.00 0.00 WAT +ATOM 12447 H1 TIP3 2046 -42.290 9.252 -37.451 1.00 0.00 WAT +ATOM 12448 H2 TIP3 2046 -41.021 9.242 -38.259 1.00 0.00 WAT +ATOM 12449 OH2 TIP3 2047 -42.129 11.657 -26.232 1.00 0.00 WAT +ATOM 12450 H1 TIP3 2047 -41.495 11.673 -25.492 1.00 0.00 WAT +ATOM 12451 H2 TIP3 2047 -42.192 10.694 -26.334 1.00 0.00 WAT +ATOM 12452 OH2 TIP3 2048 -37.221 10.844 -24.534 1.00 0.00 WAT +ATOM 12453 H1 TIP3 2048 -36.585 10.162 -24.265 1.00 0.00 WAT +ATOM 12454 H2 TIP3 2048 -37.494 10.514 -25.404 1.00 0.00 WAT +ATOM 12455 OH2 TIP3 2049 -33.018 10.128 -43.280 1.00 0.00 WAT +ATOM 12456 H1 TIP3 2049 -33.857 9.621 -43.242 1.00 0.00 WAT +ATOM 12457 H2 TIP3 2049 -32.420 9.406 -43.528 1.00 0.00 WAT +ATOM 12458 OH2 TIP3 2050 -30.794 9.084 -25.864 1.00 0.00 WAT +ATOM 12459 H1 TIP3 2050 -31.180 8.254 -25.527 1.00 0.00 WAT +ATOM 12460 H2 TIP3 2050 -30.090 9.258 -25.215 1.00 0.00 WAT +ATOM 12461 OH2 TIP3 2051 -27.971 9.482 41.996 1.00 0.00 WAT +ATOM 12462 H1 TIP3 2051 -28.653 9.634 42.659 1.00 0.00 WAT +ATOM 12463 H2 TIP3 2051 -27.288 10.076 42.328 1.00 0.00 WAT +ATOM 12464 OH2 TIP3 2052 -41.984 5.726 -25.682 1.00 0.00 WAT +ATOM 12465 H1 TIP3 2052 -41.885 4.786 -25.897 1.00 0.00 WAT +ATOM 12466 H2 TIP3 2052 -42.913 5.895 -25.899 1.00 0.00 WAT +ATOM 12467 OH2 TIP3 2053 -37.763 5.914 -43.096 1.00 0.00 WAT +ATOM 12468 H1 TIP3 2053 -37.603 5.250 -42.409 1.00 0.00 WAT +ATOM 12469 H2 TIP3 2053 -37.048 5.743 -43.725 1.00 0.00 WAT +ATOM 12470 OH2 TIP3 2054 -35.416 5.558 -25.817 1.00 0.00 WAT +ATOM 12471 H1 TIP3 2054 -35.653 5.832 -26.715 1.00 0.00 WAT +ATOM 12472 H2 TIP3 2054 -35.264 4.597 -25.929 1.00 0.00 WAT +ATOM 12473 OH2 TIP3 2055 -32.445 6.985 -43.488 1.00 0.00 WAT +ATOM 12474 H1 TIP3 2055 -32.299 7.056 -42.525 1.00 0.00 WAT +ATOM 12475 H2 TIP3 2055 -31.804 6.303 -43.741 1.00 0.00 WAT +ATOM 12476 OH2 TIP3 2056 -30.040 5.187 -28.344 1.00 0.00 WAT +ATOM 12477 H1 TIP3 2056 -29.263 5.613 -28.730 1.00 0.00 WAT +ATOM 12478 H2 TIP3 2056 -30.765 5.763 -28.614 1.00 0.00 WAT +ATOM 12479 OH2 TIP3 2057 -41.337 2.540 -25.952 1.00 0.00 WAT +ATOM 12480 H1 TIP3 2057 -40.601 1.903 -26.055 1.00 0.00 WAT +ATOM 12481 H2 TIP3 2057 -41.287 2.673 -24.992 1.00 0.00 WAT +ATOM 12482 OH2 TIP3 2058 -36.748 3.890 -40.904 1.00 0.00 WAT +ATOM 12483 H1 TIP3 2058 -37.345 3.419 -40.300 1.00 0.00 WAT +ATOM 12484 H2 TIP3 2058 -36.376 3.157 -41.428 1.00 0.00 WAT +ATOM 12485 OH2 TIP3 2059 -37.559 1.614 -28.679 1.00 0.00 WAT +ATOM 12486 H1 TIP3 2059 -37.967 2.427 -28.339 1.00 0.00 WAT +ATOM 12487 H2 TIP3 2059 -36.780 1.968 -29.153 1.00 0.00 WAT +ATOM 12488 OH2 TIP3 2060 -35.537 2.003 -42.774 1.00 0.00 WAT +ATOM 12489 H1 TIP3 2060 -35.462 1.706 -43.693 1.00 0.00 WAT +ATOM 12490 H2 TIP3 2060 -34.593 1.957 -42.503 1.00 0.00 WAT +ATOM 12491 OH2 TIP3 2061 -32.178 4.359 -25.020 1.00 0.00 WAT +ATOM 12492 H1 TIP3 2061 -31.286 4.169 -25.369 1.00 0.00 WAT +ATOM 12493 H2 TIP3 2061 -32.432 3.484 -24.689 1.00 0.00 WAT +ATOM 12494 OH2 TIP3 2062 -37.003 -1.109 -27.407 1.00 0.00 WAT +ATOM 12495 H1 TIP3 2062 -36.809 -1.757 -28.111 1.00 0.00 WAT +ATOM 12496 H2 TIP3 2062 -37.071 -0.287 -27.920 1.00 0.00 WAT +ATOM 12497 OH2 TIP3 2063 -36.560 -2.593 -29.963 1.00 0.00 WAT +ATOM 12498 H1 TIP3 2063 -36.001 -2.091 -30.593 1.00 0.00 WAT +ATOM 12499 H2 TIP3 2063 -37.441 -2.565 -30.382 1.00 0.00 WAT +ATOM 12500 OH2 TIP3 2064 -35.092 2.791 -29.556 1.00 0.00 WAT +ATOM 12501 H1 TIP3 2064 -34.181 2.653 -29.895 1.00 0.00 WAT +ATOM 12502 H2 TIP3 2064 -35.277 3.692 -29.884 1.00 0.00 WAT +ATOM 12503 OH2 TIP3 2065 -29.542 3.698 -26.153 1.00 0.00 WAT +ATOM 12504 H1 TIP3 2065 -29.707 4.173 -26.999 1.00 0.00 WAT +ATOM 12505 H2 TIP3 2065 -29.011 2.926 -26.439 1.00 0.00 WAT +ATOM 12506 OH2 TIP3 2066 -38.853 0.829 -25.807 1.00 0.00 WAT +ATOM 12507 H1 TIP3 2066 -39.361 0.036 -25.580 1.00 0.00 WAT +ATOM 12508 H2 TIP3 2066 -37.996 0.464 -26.072 1.00 0.00 WAT +ATOM 12509 OH2 TIP3 2067 -35.854 -5.290 -29.632 1.00 0.00 WAT +ATOM 12510 H1 TIP3 2067 -36.012 -4.336 -29.786 1.00 0.00 WAT +ATOM 12511 H2 TIP3 2067 -36.579 -5.695 -30.146 1.00 0.00 WAT +ATOM 12512 OH2 TIP3 2068 -34.562 -0.678 -25.801 1.00 0.00 WAT +ATOM 12513 H1 TIP3 2068 -34.864 -0.955 -24.919 1.00 0.00 WAT +ATOM 12514 H2 TIP3 2068 -35.337 -0.926 -26.338 1.00 0.00 WAT +ATOM 12515 OH2 TIP3 2069 -32.065 -1.793 -26.918 1.00 0.00 WAT +ATOM 12516 H1 TIP3 2069 -32.908 -1.727 -26.445 1.00 0.00 WAT +ATOM 12517 H2 TIP3 2069 -31.491 -2.253 -26.279 1.00 0.00 WAT +ATOM 12518 OH2 TIP3 2070 -30.016 -3.337 -25.240 1.00 0.00 WAT +ATOM 12519 H1 TIP3 2070 -30.401 -4.110 -24.809 1.00 0.00 WAT +ATOM 12520 H2 TIP3 2070 -29.973 -2.675 -24.529 1.00 0.00 WAT +ATOM 12521 OH2 TIP3 2071 -40.443 -2.079 -25.844 1.00 0.00 WAT +ATOM 12522 H1 TIP3 2071 -39.811 -2.655 -26.298 1.00 0.00 WAT +ATOM 12523 H2 TIP3 2071 -40.307 -2.371 -24.911 1.00 0.00 WAT +ATOM 12524 OH2 TIP3 2072 -35.988 -5.707 -26.825 1.00 0.00 WAT +ATOM 12525 H1 TIP3 2072 -35.541 -6.558 -26.707 1.00 0.00 WAT +ATOM 12526 H2 TIP3 2072 -36.001 -5.627 -27.798 1.00 0.00 WAT +ATOM 12527 OH2 TIP3 2073 -35.032 -3.905 -24.975 1.00 0.00 WAT +ATOM 12528 H1 TIP3 2073 -35.345 -4.524 -25.671 1.00 0.00 WAT +ATOM 12529 H2 TIP3 2073 -35.775 -3.295 -24.897 1.00 0.00 WAT +ATOM 12530 OH2 TIP3 2074 -35.959 13.150 -41.697 1.00 0.00 WAT +ATOM 12531 H1 TIP3 2074 -34.990 13.206 -41.637 1.00 0.00 WAT +ATOM 12532 H2 TIP3 2074 -36.173 13.728 -42.446 1.00 0.00 WAT +ATOM 12533 OH2 TIP3 2075 -41.904 7.602 -42.365 1.00 0.00 WAT +ATOM 12534 H1 TIP3 2075 -41.045 7.774 -41.924 1.00 0.00 WAT +ATOM 12535 H2 TIP3 2075 -41.756 6.736 -42.757 1.00 0.00 WAT +ATOM 12536 OH2 TIP3 2076 -42.767 10.877 -35.251 1.00 0.00 WAT +ATOM 12537 H1 TIP3 2076 -42.687 9.954 -34.990 1.00 0.00 WAT +ATOM 12538 H2 TIP3 2076 -42.428 11.334 -34.464 1.00 0.00 WAT +ATOM 12539 OH2 TIP3 2077 -25.179 12.068 -32.175 1.00 0.00 WAT +ATOM 12540 H1 TIP3 2077 -24.965 11.924 -31.241 1.00 0.00 WAT +ATOM 12541 H2 TIP3 2077 -24.311 12.281 -32.544 1.00 0.00 WAT +ATOM 12542 OH2 TIP3 2078 -25.273 11.433 -29.341 1.00 0.00 WAT +ATOM 12543 H1 TIP3 2078 -25.763 10.661 -29.689 1.00 0.00 WAT +ATOM 12544 H2 TIP3 2078 -24.725 10.989 -28.673 1.00 0.00 WAT +ATOM 12545 OH2 TIP3 2079 -27.248 6.879 -25.075 1.00 0.00 WAT +ATOM 12546 H1 TIP3 2079 -28.125 6.874 -24.658 1.00 0.00 WAT +ATOM 12547 H2 TIP3 2079 -26.813 7.652 -24.679 1.00 0.00 WAT +ATOM 12548 OH2 TIP3 2080 -25.866 5.701 -39.290 1.00 0.00 WAT +ATOM 12549 H1 TIP3 2080 -24.959 6.031 -39.152 1.00 0.00 WAT +ATOM 12550 H2 TIP3 2080 -25.927 5.050 -38.566 1.00 0.00 WAT +ATOM 12551 OH2 TIP3 2081 -25.415 3.680 -37.316 1.00 0.00 WAT +ATOM 12552 H1 TIP3 2081 -26.102 3.132 -36.880 1.00 0.00 WAT +ATOM 12553 H2 TIP3 2081 -24.756 3.816 -36.610 1.00 0.00 WAT +ATOM 12554 OH2 TIP3 2082 -25.732 6.287 -32.335 1.00 0.00 WAT +ATOM 12555 H1 TIP3 2082 -25.161 5.704 -32.861 1.00 0.00 WAT +ATOM 12556 H2 TIP3 2082 -25.477 7.167 -32.654 1.00 0.00 WAT +ATOM 12557 OH2 TIP3 2083 -26.918 9.234 -30.214 1.00 0.00 WAT +ATOM 12558 H1 TIP3 2083 -27.600 9.435 -29.552 1.00 0.00 WAT +ATOM 12559 H2 TIP3 2083 -27.425 8.705 -30.871 1.00 0.00 WAT +ATOM 12560 OH2 TIP3 2084 -25.104 3.388 -41.086 1.00 0.00 WAT +ATOM 12561 H1 TIP3 2084 -25.744 3.665 -41.760 1.00 0.00 WAT +ATOM 12562 H2 TIP3 2084 -25.313 4.024 -40.384 1.00 0.00 WAT +ATOM 12563 OH2 TIP3 2085 -26.894 0.784 -42.121 1.00 0.00 WAT +ATOM 12564 H1 TIP3 2085 -26.611 1.487 -42.725 1.00 0.00 WAT +ATOM 12565 H2 TIP3 2085 -26.598 -0.008 -42.580 1.00 0.00 WAT +ATOM 12566 OH2 TIP3 2086 -27.415 1.812 -36.509 1.00 0.00 WAT +ATOM 12567 H1 TIP3 2086 -27.573 0.863 -36.612 1.00 0.00 WAT +ATOM 12568 H2 TIP3 2086 -27.795 1.955 -35.605 1.00 0.00 WAT +ATOM 12569 OH2 TIP3 2087 -42.322 4.795 -32.411 1.00 0.00 WAT +ATOM 12570 H1 TIP3 2087 -42.422 4.535 -33.344 1.00 0.00 WAT +ATOM 12571 H2 TIP3 2087 -41.764 4.052 -32.077 1.00 0.00 WAT +ATOM 12572 OH2 TIP3 2088 -26.716 3.858 -27.742 1.00 0.00 WAT +ATOM 12573 H1 TIP3 2088 -26.294 3.099 -27.290 1.00 0.00 WAT +ATOM 12574 H2 TIP3 2088 -26.295 4.618 -27.340 1.00 0.00 WAT +ATOM 12575 OH2 TIP3 2089 -25.530 1.852 -26.316 1.00 0.00 WAT +ATOM 12576 H1 TIP3 2089 -26.349 1.310 -26.251 1.00 0.00 WAT +ATOM 12577 H2 TIP3 2089 -24.843 1.166 -26.228 1.00 0.00 WAT +ATOM 12578 OH2 TIP3 2090 -27.676 -2.221 -43.226 1.00 0.00 WAT +ATOM 12579 H1 TIP3 2090 -27.080 -2.683 -42.625 1.00 0.00 WAT +ATOM 12580 H2 TIP3 2090 -28.484 -2.768 -43.206 1.00 0.00 WAT +ATOM 12581 OH2 TIP3 2091 -27.682 -0.602 -38.387 1.00 0.00 WAT +ATOM 12582 H1 TIP3 2091 -27.410 -1.539 -38.285 1.00 0.00 WAT +ATOM 12583 H2 TIP3 2091 -26.857 -0.208 -38.712 1.00 0.00 WAT +ATOM 12584 OH2 TIP3 2092 -27.359 -0.146 -32.871 1.00 0.00 WAT +ATOM 12585 H1 TIP3 2092 -26.407 0.067 -32.876 1.00 0.00 WAT +ATOM 12586 H2 TIP3 2092 -27.562 0.009 -31.928 1.00 0.00 WAT +ATOM 12587 OH2 TIP3 2093 -27.221 0.623 -30.145 1.00 0.00 WAT +ATOM 12588 H1 TIP3 2093 -28.030 0.939 -29.692 1.00 0.00 WAT +ATOM 12589 H2 TIP3 2093 -26.727 1.455 -30.228 1.00 0.00 WAT +ATOM 12590 OH2 TIP3 2094 -42.936 -0.769 -26.615 1.00 0.00 WAT +ATOM 12591 H1 TIP3 2094 -42.031 -1.074 -26.399 1.00 0.00 WAT +ATOM 12592 H2 TIP3 2094 -43.511 -1.243 -26.004 1.00 0.00 WAT +ATOM 12593 OH2 TIP3 2095 -24.526 -5.182 -24.770 1.00 0.00 WAT +ATOM 12594 H1 TIP3 2095 -24.270 -5.839 -25.436 1.00 0.00 WAT +ATOM 12595 H2 TIP3 2095 -24.672 -4.381 -25.311 1.00 0.00 WAT +ATOM 12596 OH2 TIP3 2096 -27.135 -3.377 -38.306 1.00 0.00 WAT +ATOM 12597 H1 TIP3 2096 -27.050 -3.715 -37.397 1.00 0.00 WAT +ATOM 12598 H2 TIP3 2096 -27.905 -3.889 -38.628 1.00 0.00 WAT +ATOM 12599 OH2 TIP3 2097 -41.961 -2.144 -33.272 1.00 0.00 WAT +ATOM 12600 H1 TIP3 2097 -41.619 -3.051 -33.313 1.00 0.00 WAT +ATOM 12601 H2 TIP3 2097 -41.146 -1.623 -33.150 1.00 0.00 WAT +ATOM 12602 OH2 TIP3 2098 -43.268 0.497 -32.415 1.00 0.00 WAT +ATOM 12603 H1 TIP3 2098 -43.005 -0.143 -33.093 1.00 0.00 WAT +ATOM 12604 H2 TIP3 2098 -42.905 1.309 -32.777 1.00 0.00 WAT +ATOM 12605 OH2 TIP3 2099 -25.417 -3.152 -26.415 1.00 0.00 WAT +ATOM 12606 H1 TIP3 2099 -26.244 -2.636 -26.451 1.00 0.00 WAT +ATOM 12607 H2 TIP3 2099 -25.489 -3.611 -27.269 1.00 0.00 WAT +ATOM 12608 OH2 TIP3 2100 -25.124 -2.993 -41.759 1.00 0.00 WAT +ATOM 12609 H1 TIP3 2100 -24.851 -3.702 -42.349 1.00 0.00 WAT +ATOM 12610 H2 TIP3 2100 -24.307 -2.473 -41.679 1.00 0.00 WAT +ATOM 12611 OH2 TIP3 2101 -43.154 -3.384 -38.945 1.00 0.00 WAT +ATOM 12612 H1 TIP3 2101 -44.003 -3.140 -39.347 1.00 0.00 WAT +ATOM 12613 H2 TIP3 2101 -42.570 -2.669 -39.267 1.00 0.00 WAT +ATOM 12614 OH2 TIP3 2102 -28.300 11.975 -36.493 1.00 0.00 WAT +ATOM 12615 H1 TIP3 2102 -27.716 11.719 -37.230 1.00 0.00 WAT +ATOM 12616 H2 TIP3 2102 -27.679 12.441 -35.916 1.00 0.00 WAT +ATOM 12617 OH2 TIP3 2103 -42.946 -4.231 -30.525 1.00 0.00 WAT +ATOM 12618 H1 TIP3 2103 -43.632 -4.581 -29.926 1.00 0.00 WAT +ATOM 12619 H2 TIP3 2103 -43.397 -4.103 -31.373 1.00 0.00 WAT +ATOM 12620 OH2 TIP3 2104 -41.142 9.001 -25.988 1.00 0.00 WAT +ATOM 12621 H1 TIP3 2104 -41.846 8.472 -26.374 1.00 0.00 WAT +ATOM 12622 H2 TIP3 2104 -41.216 8.702 -25.050 1.00 0.00 WAT +ATOM 12623 OH2 TIP3 2105 -38.068 9.717 -30.023 1.00 0.00 WAT +ATOM 12624 H1 TIP3 2105 -38.311 10.602 -30.352 1.00 0.00 WAT +ATOM 12625 H2 TIP3 2105 -37.099 9.768 -30.157 1.00 0.00 WAT +ATOM 12626 OH2 TIP3 2106 -33.537 11.088 -26.959 1.00 0.00 WAT +ATOM 12627 H1 TIP3 2106 -33.416 10.847 -26.025 1.00 0.00 WAT +ATOM 12628 H2 TIP3 2106 -32.655 11.431 -27.191 1.00 0.00 WAT +ATOM 12629 OH2 TIP3 2107 -31.154 12.373 -27.890 1.00 0.00 WAT +ATOM 12630 H1 TIP3 2107 -30.479 11.681 -27.820 1.00 0.00 WAT +ATOM 12631 H2 TIP3 2107 -30.979 12.859 -27.062 1.00 0.00 WAT +ATOM 12632 OH2 TIP3 2108 -26.275 -4.976 -28.596 1.00 0.00 WAT +ATOM 12633 H1 TIP3 2108 -27.081 -4.598 -28.987 1.00 0.00 WAT +ATOM 12634 H2 TIP3 2108 -26.249 -5.867 -28.995 1.00 0.00 WAT +ATOM 12635 OH2 TIP3 2109 -40.767 12.687 -29.743 1.00 0.00 WAT +ATOM 12636 H1 TIP3 2109 -41.402 13.264 -30.211 1.00 0.00 WAT +ATOM 12637 H2 TIP3 2109 -40.979 12.894 -28.823 1.00 0.00 WAT +ATOM 12638 OH2 TIP3 2110 -38.189 12.455 -31.097 1.00 0.00 WAT +ATOM 12639 H1 TIP3 2110 -39.049 12.670 -30.686 1.00 0.00 WAT +ATOM 12640 H2 TIP3 2110 -38.136 13.122 -31.807 1.00 0.00 WAT +ATOM 12641 OH2 TIP3 2111 -32.912 12.337 -31.517 1.00 0.00 WAT +ATOM 12642 H1 TIP3 2111 -33.476 12.703 -32.224 1.00 0.00 WAT +ATOM 12643 H2 TIP3 2111 -33.036 13.022 -30.830 1.00 0.00 WAT +ATOM 12644 OH2 TIP3 2112 -28.949 12.749 -30.632 1.00 0.00 WAT +ATOM 12645 H1 TIP3 2112 -28.892 13.726 -30.621 1.00 0.00 WAT +ATOM 12646 H2 TIP3 2112 -28.271 12.553 -31.310 1.00 0.00 WAT +ATOM 12647 OH2 TIP3 2113 -41.277 11.521 -32.814 1.00 0.00 WAT +ATOM 12648 H1 TIP3 2113 -41.375 11.099 -31.943 1.00 0.00 WAT +ATOM 12649 H2 TIP3 2113 -40.471 11.090 -33.157 1.00 0.00 WAT +ATOM 12650 OH2 TIP3 2114 -39.108 10.294 -34.196 1.00 0.00 WAT +ATOM 12651 H1 TIP3 2114 -39.206 9.339 -34.053 1.00 0.00 WAT +ATOM 12652 H2 TIP3 2114 -38.177 10.443 -33.943 1.00 0.00 WAT +ATOM 12653 OH2 TIP3 2115 -36.273 10.701 -33.391 1.00 0.00 WAT +ATOM 12654 H1 TIP3 2115 -36.098 9.781 -33.661 1.00 0.00 WAT +ATOM 12655 H2 TIP3 2115 -36.228 10.612 -32.426 1.00 0.00 WAT +ATOM 12656 OH2 TIP3 2116 -32.980 -3.420 -34.127 1.00 0.00 WAT +ATOM 12657 H1 TIP3 2116 -33.668 -4.094 -33.969 1.00 0.00 WAT +ATOM 12658 H2 TIP3 2116 -32.349 -3.897 -34.688 1.00 0.00 WAT +ATOM 12659 OH2 TIP3 2117 -28.008 -5.478 -33.688 1.00 0.00 WAT +ATOM 12660 H1 TIP3 2117 -27.265 -4.948 -34.025 1.00 0.00 WAT +ATOM 12661 H2 TIP3 2117 -28.769 -5.064 -34.129 1.00 0.00 WAT +ATOM 12662 OH2 TIP3 2118 -25.922 -4.308 -35.764 1.00 0.00 WAT +ATOM 12663 H1 TIP3 2118 -25.199 -4.673 -36.299 1.00 0.00 WAT +ATOM 12664 H2 TIP3 2118 -25.648 -3.379 -35.646 1.00 0.00 WAT +ATOM 12665 OH2 TIP3 2119 -41.053 -4.823 -36.572 1.00 0.00 WAT +ATOM 12666 H1 TIP3 2119 -41.806 -5.130 -37.093 1.00 0.00 WAT +ATOM 12667 H2 TIP3 2119 -40.453 -5.588 -36.653 1.00 0.00 WAT +ATOM 12668 OH2 TIP3 2120 -41.785 -5.154 -40.820 1.00 0.00 WAT +ATOM 12669 H1 TIP3 2120 -41.301 -4.477 -41.333 1.00 0.00 WAT +ATOM 12670 H2 TIP3 2120 -42.299 -4.611 -40.200 1.00 0.00 WAT +ATOM 12671 OH2 TIP3 2121 -36.155 -4.864 -36.646 1.00 0.00 WAT +ATOM 12672 H1 TIP3 2121 -35.250 -4.542 -36.793 1.00 0.00 WAT +ATOM 12673 H2 TIP3 2121 -36.159 -4.956 -35.684 1.00 0.00 WAT +ATOM 12674 OH2 TIP3 2122 -30.561 -4.830 -35.249 1.00 0.00 WAT +ATOM 12675 H1 TIP3 2122 -30.302 -4.972 -36.169 1.00 0.00 WAT +ATOM 12676 H2 TIP3 2122 -30.937 -5.695 -35.005 1.00 0.00 WAT +ATOM 12677 OH2 TIP3 2123 -29.481 -4.854 -39.222 1.00 0.00 WAT +ATOM 12678 H1 TIP3 2123 -30.273 -4.357 -39.495 1.00 0.00 WAT +ATOM 12679 H2 TIP3 2123 -29.837 -5.759 -39.175 1.00 0.00 WAT +ATOM 12680 OH2 TIP3 2124 -41.880 10.827 -39.747 1.00 0.00 WAT +ATOM 12681 H1 TIP3 2124 -42.559 10.686 -40.414 1.00 0.00 WAT +ATOM 12682 H2 TIP3 2124 -41.810 11.789 -39.735 1.00 0.00 WAT +ATOM 12683 OH2 TIP3 2125 -40.105 -3.340 -42.308 1.00 0.00 WAT +ATOM 12684 H1 TIP3 2125 -39.617 -4.002 -42.818 1.00 0.00 WAT +ATOM 12685 H2 TIP3 2125 -39.392 -2.959 -41.763 1.00 0.00 WAT +ATOM 12686 OH2 TIP3 2126 -35.033 -3.232 -39.590 1.00 0.00 WAT +ATOM 12687 H1 TIP3 2126 -34.630 -3.774 -38.893 1.00 0.00 WAT +ATOM 12688 H2 TIP3 2126 -34.775 -2.352 -39.269 1.00 0.00 WAT +ATOM 12689 OH2 TIP3 2127 -33.164 12.417 -41.559 1.00 0.00 WAT +ATOM 12690 H1 TIP3 2127 -32.256 12.759 -41.542 1.00 0.00 WAT +ATOM 12691 H2 TIP3 2127 -33.131 11.776 -42.298 1.00 0.00 WAT +ATOM 12692 OH2 TIP3 2128 -26.428 11.591 -38.813 1.00 0.00 WAT +ATOM 12693 H1 TIP3 2128 -26.610 10.731 -39.252 1.00 0.00 WAT +ATOM 12694 H2 TIP3 2128 -26.557 12.225 -39.548 1.00 0.00 WAT +ATOM 12695 OH2 TIP3 2129 -38.634 -5.001 -25.414 1.00 0.00 WAT +ATOM 12696 H1 TIP3 2129 -37.815 -5.373 -25.785 1.00 0.00 WAT +ATOM 12697 H2 TIP3 2129 -39.017 -5.790 -24.987 1.00 0.00 WAT +ATOM 12698 OH2 TIP3 2130 -39.768 11.813 -42.432 1.00 0.00 WAT +ATOM 12699 H1 TIP3 2130 -40.134 12.094 -41.587 1.00 0.00 WAT +ATOM 12700 H2 TIP3 2130 -39.137 11.127 -42.192 1.00 0.00 WAT +ATOM 12701 OH2 TIP3 2131 -30.354 -6.184 -25.149 1.00 0.00 WAT +ATOM 12702 H1 TIP3 2131 -30.279 -6.442 -24.213 1.00 0.00 WAT +ATOM 12703 H2 TIP3 2131 -29.442 -5.923 -25.360 1.00 0.00 WAT +ATOM 12704 OH2 TIP3 2132 -26.940 10.390 -26.417 1.00 0.00 WAT +ATOM 12705 H1 TIP3 2132 -27.670 10.171 -27.024 1.00 0.00 WAT +ATOM 12706 H2 TIP3 2132 -27.153 11.316 -26.204 1.00 0.00 WAT +ATOM 12707 OH2 TIP3 2133 -12.738 4.041 -36.282 1.00 0.00 WAT +ATOM 12708 H1 TIP3 2133 -12.756 5.004 -36.158 1.00 0.00 WAT +ATOM 12709 H2 TIP3 2133 -13.515 3.905 -36.841 1.00 0.00 WAT +ATOM 12710 OH2 TIP3 2134 -13.901 3.493 -33.194 1.00 0.00 WAT +ATOM 12711 H1 TIP3 2134 -13.903 2.928 -32.404 1.00 0.00 WAT +ATOM 12712 H2 TIP3 2134 -14.171 2.862 -33.878 1.00 0.00 WAT +ATOM 12713 OH2 TIP3 2135 -21.410 3.072 -31.550 1.00 0.00 WAT +ATOM 12714 H1 TIP3 2135 -21.459 2.317 -30.933 1.00 0.00 WAT +ATOM 12715 H2 TIP3 2135 -20.731 3.611 -31.119 1.00 0.00 WAT +ATOM 12716 OH2 TIP3 2136 -10.222 6.235 -34.879 1.00 0.00 WAT +ATOM 12717 H1 TIP3 2136 -10.583 5.509 -34.353 1.00 0.00 WAT +ATOM 12718 H2 TIP3 2136 -9.912 6.834 -34.187 1.00 0.00 WAT +ATOM 12719 OH2 TIP3 2137 -20.763 7.721 -33.037 1.00 0.00 WAT +ATOM 12720 H1 TIP3 2137 -21.006 6.801 -33.284 1.00 0.00 WAT +ATOM 12721 H2 TIP3 2137 -19.837 7.578 -32.794 1.00 0.00 WAT +ATOM 12722 OH2 TIP3 2138 -23.747 1.142 -37.646 1.00 0.00 WAT +ATOM 12723 H1 TIP3 2138 -24.199 1.992 -37.519 1.00 0.00 WAT +ATOM 12724 H2 TIP3 2138 -24.459 0.608 -38.023 1.00 0.00 WAT +ATOM 12725 OH2 TIP3 2139 -22.945 3.591 -35.766 1.00 0.00 WAT +ATOM 12726 H1 TIP3 2139 -22.829 2.740 -35.298 1.00 0.00 WAT +ATOM 12727 H2 TIP3 2139 -22.124 3.643 -36.270 1.00 0.00 WAT +ATOM 12728 OH2 TIP3 2140 -13.126 11.600 -34.269 1.00 0.00 WAT +ATOM 12729 H1 TIP3 2140 -12.571 10.898 -34.660 1.00 0.00 WAT +ATOM 12730 H2 TIP3 2140 -13.428 11.179 -33.455 1.00 0.00 WAT +ATOM 12731 OH2 TIP3 2141 -15.403 6.008 -32.639 1.00 0.00 WAT +ATOM 12732 H1 TIP3 2141 -15.096 5.276 -33.203 1.00 0.00 WAT +ATOM 12733 H2 TIP3 2141 -14.592 6.137 -32.112 1.00 0.00 WAT +ATOM 12734 OH2 TIP3 2142 -6.746 -2.474 -32.007 1.00 0.00 WAT +ATOM 12735 H1 TIP3 2142 -6.506 -1.885 -31.270 1.00 0.00 WAT +ATOM 12736 H2 TIP3 2142 -6.118 -2.175 -32.689 1.00 0.00 WAT +ATOM 12737 OH2 TIP3 2143 -12.102 0.344 -32.134 1.00 0.00 WAT +ATOM 12738 H1 TIP3 2143 -11.977 -0.616 -32.046 1.00 0.00 WAT +ATOM 12739 H2 TIP3 2143 -12.206 0.436 -33.094 1.00 0.00 WAT +ATOM 12740 OH2 TIP3 2144 -19.119 -1.662 -35.055 1.00 0.00 WAT +ATOM 12741 H1 TIP3 2144 -19.000 -0.801 -35.501 1.00 0.00 WAT +ATOM 12742 H2 TIP3 2144 -19.505 -2.178 -35.786 1.00 0.00 WAT +ATOM 12743 OH2 TIP3 2145 -11.305 -1.515 -36.755 1.00 0.00 WAT +ATOM 12744 H1 TIP3 2145 -10.737 -1.940 -36.077 1.00 0.00 WAT +ATOM 12745 H2 TIP3 2145 -10.638 -1.061 -37.291 1.00 0.00 WAT +ATOM 12746 OH2 TIP3 2146 -22.430 1.105 -34.552 1.00 0.00 WAT +ATOM 12747 H1 TIP3 2146 -21.844 0.609 -33.956 1.00 0.00 WAT +ATOM 12748 H2 TIP3 2146 -22.369 0.578 -35.368 1.00 0.00 WAT +ATOM 12749 OH2 TIP3 2147 -17.054 2.462 -35.090 1.00 0.00 WAT +ATOM 12750 H1 TIP3 2147 -16.360 1.905 -34.686 1.00 0.00 WAT +ATOM 12751 H2 TIP3 2147 -17.570 1.795 -35.582 1.00 0.00 WAT +ATOM 12752 OH2 TIP3 2148 -6.023 -1.114 -29.521 1.00 0.00 WAT +ATOM 12753 H1 TIP3 2148 -6.629 -0.397 -29.778 1.00 0.00 WAT +ATOM 12754 H2 TIP3 2148 -6.183 -1.148 -28.567 1.00 0.00 WAT +ATOM 12755 OH2 TIP3 2149 -20.329 -2.878 -30.899 1.00 0.00 WAT +ATOM 12756 H1 TIP3 2149 -20.743 -2.353 -31.600 1.00 0.00 WAT +ATOM 12757 H2 TIP3 2149 -20.982 -2.750 -30.177 1.00 0.00 WAT +ATOM 12758 OH2 TIP3 2150 -12.834 6.906 -37.503 1.00 0.00 WAT +ATOM 12759 H1 TIP3 2150 -13.173 6.650 -38.365 1.00 0.00 WAT +ATOM 12760 H2 TIP3 2150 -13.310 7.736 -37.326 1.00 0.00 WAT +ATOM 12761 OH2 TIP3 2151 -17.388 5.023 -30.757 1.00 0.00 WAT +ATOM 12762 H1 TIP3 2151 -18.143 5.600 -30.514 1.00 0.00 WAT +ATOM 12763 H2 TIP3 2151 -16.788 5.641 -31.211 1.00 0.00 WAT +ATOM 12764 OH2 TIP3 2152 -9.451 -2.244 -34.700 1.00 0.00 WAT +ATOM 12765 H1 TIP3 2152 -9.867 -2.829 -34.054 1.00 0.00 WAT +ATOM 12766 H2 TIP3 2152 -8.943 -1.647 -34.124 1.00 0.00 WAT +ATOM 12767 OH2 TIP3 2153 -20.733 -0.819 -32.946 1.00 0.00 WAT +ATOM 12768 H1 TIP3 2153 -20.090 -0.247 -32.477 1.00 0.00 WAT +ATOM 12769 H2 TIP3 2153 -20.158 -1.192 -33.648 1.00 0.00 WAT +ATOM 12770 OH2 TIP3 2154 -19.403 6.895 -30.033 1.00 0.00 WAT +ATOM 12771 H1 TIP3 2154 -19.467 7.822 -30.325 1.00 0.00 WAT +ATOM 12772 H2 TIP3 2154 -20.275 6.789 -29.606 1.00 0.00 WAT +ATOM 12773 OH2 TIP3 2155 -23.088 6.593 -39.192 1.00 0.00 WAT +ATOM 12774 H1 TIP3 2155 -23.318 7.016 -40.043 1.00 0.00 WAT +ATOM 12775 H2 TIP3 2155 -22.964 7.339 -38.580 1.00 0.00 WAT +ATOM 12776 OH2 TIP3 2156 -9.650 8.045 -32.362 1.00 0.00 WAT +ATOM 12777 H1 TIP3 2156 -10.618 8.149 -32.362 1.00 0.00 WAT +ATOM 12778 H2 TIP3 2156 -9.374 8.890 -32.755 1.00 0.00 WAT +ATOM 12779 OH2 TIP3 2157 -9.327 -3.097 -30.854 1.00 0.00 WAT +ATOM 12780 H1 TIP3 2157 -10.098 -2.697 -31.298 1.00 0.00 WAT +ATOM 12781 H2 TIP3 2157 -8.603 -2.900 -31.478 1.00 0.00 WAT +ATOM 12782 OH2 TIP3 2158 -16.199 -5.372 -33.814 1.00 0.00 WAT +ATOM 12783 H1 TIP3 2158 -16.424 -6.321 -33.844 1.00 0.00 WAT +ATOM 12784 H2 TIP3 2158 -17.017 -4.989 -33.429 1.00 0.00 WAT +ATOM 12785 OH2 TIP3 2159 -11.366 9.991 -35.814 1.00 0.00 WAT +ATOM 12786 H1 TIP3 2159 -10.899 9.189 -36.125 1.00 0.00 WAT +ATOM 12787 H2 TIP3 2159 -10.674 10.668 -35.939 1.00 0.00 WAT +ATOM 12788 OH2 TIP3 2160 -9.914 7.856 -37.188 1.00 0.00 WAT +ATOM 12789 H1 TIP3 2160 -10.405 7.388 -37.878 1.00 0.00 WAT +ATOM 12790 H2 TIP3 2160 -9.958 7.209 -36.457 1.00 0.00 WAT +ATOM 12791 OH2 TIP3 2161 -8.398 6.699 -28.714 1.00 0.00 WAT +ATOM 12792 H1 TIP3 2161 -8.467 5.998 -29.391 1.00 0.00 WAT +ATOM 12793 H2 TIP3 2161 -8.205 7.486 -29.252 1.00 0.00 WAT +ATOM 12794 OH2 TIP3 2162 -14.061 3.546 -39.049 1.00 0.00 WAT +ATOM 12795 H1 TIP3 2162 -14.735 4.158 -39.402 1.00 0.00 WAT +ATOM 12796 H2 TIP3 2162 -13.344 3.637 -39.695 1.00 0.00 WAT +ATOM 12797 OH2 TIP3 2163 -13.889 1.797 -42.073 1.00 0.00 WAT +ATOM 12798 H1 TIP3 2163 -13.215 2.098 -41.442 1.00 0.00 WAT +ATOM 12799 H2 TIP3 2163 -13.348 1.183 -42.618 1.00 0.00 WAT +ATOM 12800 OH2 TIP3 2164 -6.593 2.836 -30.765 1.00 0.00 WAT +ATOM 12801 H1 TIP3 2164 -7.317 3.484 -30.662 1.00 0.00 WAT +ATOM 12802 H2 TIP3 2164 -6.129 3.191 -31.547 1.00 0.00 WAT +ATOM 12803 OH2 TIP3 2165 -10.580 3.566 -37.941 1.00 0.00 WAT +ATOM 12804 H1 TIP3 2165 -11.274 3.770 -37.273 1.00 0.00 WAT +ATOM 12805 H2 TIP3 2165 -9.990 2.994 -37.418 1.00 0.00 WAT +ATOM 12806 OH2 TIP3 2166 -10.739 2.107 -29.079 1.00 0.00 WAT +ATOM 12807 H1 TIP3 2166 -10.679 2.930 -28.566 1.00 0.00 WAT +ATOM 12808 H2 TIP3 2166 -11.404 2.385 -29.735 1.00 0.00 WAT +ATOM 12809 OH2 TIP3 2167 -18.970 4.349 -36.174 1.00 0.00 WAT +ATOM 12810 H1 TIP3 2167 -19.296 3.900 -36.978 1.00 0.00 WAT +ATOM 12811 H2 TIP3 2167 -18.348 3.691 -35.815 1.00 0.00 WAT +ATOM 12812 OH2 TIP3 2168 -17.598 7.772 -33.431 1.00 0.00 WAT +ATOM 12813 H1 TIP3 2168 -17.746 7.344 -34.286 1.00 0.00 WAT +ATOM 12814 H2 TIP3 2168 -16.824 7.277 -33.097 1.00 0.00 WAT +ATOM 12815 OH2 TIP3 2169 -18.396 3.154 -32.681 1.00 0.00 WAT +ATOM 12816 H1 TIP3 2169 -17.811 3.180 -33.460 1.00 0.00 WAT +ATOM 12817 H2 TIP3 2169 -17.995 3.807 -32.080 1.00 0.00 WAT +ATOM 12818 OH2 TIP3 2170 -12.478 8.711 -32.064 1.00 0.00 WAT +ATOM 12819 H1 TIP3 2170 -12.422 9.297 -31.297 1.00 0.00 WAT +ATOM 12820 H2 TIP3 2170 -12.687 7.847 -31.665 1.00 0.00 WAT +ATOM 12821 OH2 TIP3 2171 -17.490 7.557 -27.885 1.00 0.00 WAT +ATOM 12822 H1 TIP3 2171 -18.074 8.119 -27.348 1.00 0.00 WAT +ATOM 12823 H2 TIP3 2171 -18.122 7.205 -28.542 1.00 0.00 WAT +ATOM 12824 OH2 TIP3 2172 -11.507 3.031 -40.568 1.00 0.00 WAT +ATOM 12825 H1 TIP3 2172 -11.090 3.286 -39.718 1.00 0.00 WAT +ATOM 12826 H2 TIP3 2172 -10.899 3.454 -41.206 1.00 0.00 WAT +ATOM 12827 OH2 TIP3 2173 -20.655 3.915 -28.755 1.00 0.00 WAT +ATOM 12828 H1 TIP3 2173 -20.608 4.403 -27.917 1.00 0.00 WAT +ATOM 12829 H2 TIP3 2173 -21.605 3.693 -28.797 1.00 0.00 WAT +ATOM 12830 OH2 TIP3 2174 -14.190 9.617 -36.955 1.00 0.00 WAT +ATOM 12831 H1 TIP3 2174 -13.666 9.874 -36.187 1.00 0.00 WAT +ATOM 12832 H2 TIP3 2174 -14.650 10.435 -37.193 1.00 0.00 WAT +ATOM 12833 OH2 TIP3 2175 -19.474 9.691 -26.992 1.00 0.00 WAT +ATOM 12834 H1 TIP3 2175 -19.565 9.673 -27.962 1.00 0.00 WAT +ATOM 12835 H2 TIP3 2175 -20.352 9.392 -26.687 1.00 0.00 WAT +ATOM 12836 OH2 TIP3 2176 -8.095 -5.346 -40.776 1.00 0.00 WAT +ATOM 12837 H1 TIP3 2176 -9.038 -5.230 -40.550 1.00 0.00 WAT +ATOM 12838 H2 TIP3 2176 -7.844 -4.436 -41.000 1.00 0.00 WAT +ATOM 12839 OH2 TIP3 2177 -20.052 3.082 -38.634 1.00 0.00 WAT +ATOM 12840 H1 TIP3 2177 -20.307 3.833 -39.199 1.00 0.00 WAT +ATOM 12841 H2 TIP3 2177 -20.727 2.428 -38.858 1.00 0.00 WAT +ATOM 12842 OH2 TIP3 2178 -7.051 8.947 -42.422 1.00 0.00 WAT +ATOM 12843 H1 TIP3 2178 -6.716 9.827 -42.183 1.00 0.00 WAT +ATOM 12844 H2 TIP3 2178 -6.258 8.388 -42.389 1.00 0.00 WAT +ATOM 12845 OH2 TIP3 2179 -23.993 5.746 -29.903 1.00 0.00 WAT +ATOM 12846 H1 TIP3 2179 -24.453 5.711 -30.763 1.00 0.00 WAT +ATOM 12847 H2 TIP3 2179 -23.883 4.795 -29.707 1.00 0.00 WAT +ATOM 12848 OH2 TIP3 2180 -23.952 8.723 -32.973 1.00 0.00 WAT +ATOM 12849 H1 TIP3 2180 -23.056 8.354 -32.941 1.00 0.00 WAT +ATOM 12850 H2 TIP3 2180 -23.966 9.255 -32.166 1.00 0.00 WAT +ATOM 12851 OH2 TIP3 2181 -5.582 9.294 -27.217 1.00 0.00 WAT +ATOM 12852 H1 TIP3 2181 -5.671 8.337 -27.379 1.00 0.00 WAT +ATOM 12853 H2 TIP3 2181 -6.487 9.512 -26.906 1.00 0.00 WAT +ATOM 12854 OH2 TIP3 2182 -14.936 8.838 -28.256 1.00 0.00 WAT +ATOM 12855 H1 TIP3 2182 -14.904 9.551 -27.611 1.00 0.00 WAT +ATOM 12856 H2 TIP3 2182 -15.802 8.423 -28.059 1.00 0.00 WAT +ATOM 12857 OH2 TIP3 2183 -14.622 12.321 -38.463 1.00 0.00 WAT +ATOM 12858 H1 TIP3 2183 -14.615 12.420 -39.430 1.00 0.00 WAT +ATOM 12859 H2 TIP3 2183 -14.562 13.237 -38.150 1.00 0.00 WAT +ATOM 12860 OH2 TIP3 2184 -20.848 11.471 -36.796 1.00 0.00 WAT +ATOM 12861 H1 TIP3 2184 -20.659 11.024 -35.946 1.00 0.00 WAT +ATOM 12862 H2 TIP3 2184 -21.662 11.016 -37.054 1.00 0.00 WAT +ATOM 12863 OH2 TIP3 2185 -11.372 11.893 -41.460 1.00 0.00 WAT +ATOM 12864 H1 TIP3 2185 -10.912 11.309 -42.102 1.00 0.00 WAT +ATOM 12865 H2 TIP3 2185 -11.292 11.367 -40.651 1.00 0.00 WAT +ATOM 12866 OH2 TIP3 2186 -11.889 11.236 -38.601 1.00 0.00 WAT +ATOM 12867 H1 TIP3 2186 -12.833 11.358 -38.405 1.00 0.00 WAT +ATOM 12868 H2 TIP3 2186 -11.668 10.514 -37.991 1.00 0.00 WAT +ATOM 12869 OH2 TIP3 2187 -8.782 0.683 -26.735 1.00 0.00 WAT +ATOM 12870 H1 TIP3 2187 -9.305 1.029 -27.469 1.00 0.00 WAT +ATOM 12871 H2 TIP3 2187 -8.737 -0.267 -26.953 1.00 0.00 WAT +ATOM 12872 OH2 TIP3 2188 -21.825 7.319 -28.630 1.00 0.00 WAT +ATOM 12873 H1 TIP3 2188 -21.529 6.818 -27.842 1.00 0.00 WAT +ATOM 12874 H2 TIP3 2188 -22.554 6.767 -28.971 1.00 0.00 WAT +ATOM 12875 OH2 TIP3 2189 -18.615 -4.224 -32.894 1.00 0.00 WAT +ATOM 12876 H1 TIP3 2189 -19.449 -4.294 -33.395 1.00 0.00 WAT +ATOM 12877 H2 TIP3 2189 -18.851 -3.506 -32.284 1.00 0.00 WAT +ATOM 12878 OH2 TIP3 2190 -14.244 -4.665 -29.270 1.00 0.00 WAT +ATOM 12879 H1 TIP3 2190 -13.722 -5.162 -28.609 1.00 0.00 WAT +ATOM 12880 H2 TIP3 2190 -15.153 -4.984 -29.115 1.00 0.00 WAT +ATOM 12881 OH2 TIP3 2191 -11.102 -0.848 -28.734 1.00 0.00 WAT +ATOM 12882 H1 TIP3 2191 -11.695 -1.023 -27.981 1.00 0.00 WAT +ATOM 12883 H2 TIP3 2191 -11.166 0.115 -28.850 1.00 0.00 WAT +ATOM 12884 OH2 TIP3 2192 -9.261 3.826 -42.518 1.00 0.00 WAT +ATOM 12885 H1 TIP3 2192 -9.764 3.691 -43.337 1.00 0.00 WAT +ATOM 12886 H2 TIP3 2192 -8.966 4.736 -42.665 1.00 0.00 WAT +ATOM 12887 OH2 TIP3 2193 -14.422 -2.258 -42.157 1.00 0.00 WAT +ATOM 12888 H1 TIP3 2193 -14.974 -2.220 -41.365 1.00 0.00 WAT +ATOM 12889 H2 TIP3 2193 -14.871 -2.950 -42.658 1.00 0.00 WAT +ATOM 12890 OH2 TIP3 2194 -18.756 0.559 -31.478 1.00 0.00 WAT +ATOM 12891 H1 TIP3 2194 -19.341 0.655 -30.706 1.00 0.00 WAT +ATOM 12892 H2 TIP3 2194 -18.713 1.474 -31.827 1.00 0.00 WAT +ATOM 12893 OH2 TIP3 2195 -18.820 0.650 -36.608 1.00 0.00 WAT +ATOM 12894 H1 TIP3 2195 -19.778 0.532 -36.755 1.00 0.00 WAT +ATOM 12895 H2 TIP3 2195 -18.479 0.435 -37.499 1.00 0.00 WAT +ATOM 12896 OH2 TIP3 2196 -13.137 1.179 -37.857 1.00 0.00 WAT +ATOM 12897 H1 TIP3 2196 -13.546 2.007 -38.184 1.00 0.00 WAT +ATOM 12898 H2 TIP3 2196 -12.504 0.983 -38.568 1.00 0.00 WAT +ATOM 12899 OH2 TIP3 2197 -14.021 1.397 -26.472 1.00 0.00 WAT +ATOM 12900 H1 TIP3 2197 -14.534 0.652 -26.097 1.00 0.00 WAT +ATOM 12901 H2 TIP3 2197 -13.159 1.274 -26.033 1.00 0.00 WAT +ATOM 12902 OH2 TIP3 2198 -12.351 0.590 -35.057 1.00 0.00 WAT +ATOM 12903 H1 TIP3 2198 -12.631 1.162 -35.799 1.00 0.00 WAT +ATOM 12904 H2 TIP3 2198 -12.148 -0.226 -35.556 1.00 0.00 WAT +ATOM 12905 OH2 TIP3 2199 -21.379 0.725 -29.656 1.00 0.00 WAT +ATOM 12906 H1 TIP3 2199 -21.181 1.019 -28.759 1.00 0.00 WAT +ATOM 12907 H2 TIP3 2199 -21.784 -0.143 -29.481 1.00 0.00 WAT +ATOM 12908 OH2 TIP3 2200 -17.663 -1.868 -43.133 1.00 0.00 WAT +ATOM 12909 H1 TIP3 2200 -18.022 -2.131 -42.264 1.00 0.00 WAT +ATOM 12910 H2 TIP3 2200 -18.418 -1.361 -43.490 1.00 0.00 WAT +ATOM 12911 OH2 TIP3 2201 -24.530 -1.756 -36.039 1.00 0.00 WAT +ATOM 12912 H1 TIP3 2201 -23.962 -1.839 -35.249 1.00 0.00 WAT +ATOM 12913 H2 TIP3 2201 -24.044 -2.230 -36.727 1.00 0.00 WAT +ATOM 12914 OH2 TIP3 2202 -22.999 -1.378 -40.393 1.00 0.00 WAT +ATOM 12915 H1 TIP3 2202 -22.441 -0.879 -41.020 1.00 0.00 WAT +ATOM 12916 H2 TIP3 2202 -23.676 -0.713 -40.168 1.00 0.00 WAT +ATOM 12917 OH2 TIP3 2203 -13.245 2.277 -30.574 1.00 0.00 WAT +ATOM 12918 H1 TIP3 2203 -12.809 1.554 -31.081 1.00 0.00 WAT +ATOM 12919 H2 TIP3 2203 -13.597 1.785 -29.816 1.00 0.00 WAT +ATOM 12920 OH2 TIP3 2204 -16.051 -1.778 -35.577 1.00 0.00 WAT +ATOM 12921 H1 TIP3 2204 -16.996 -1.811 -35.348 1.00 0.00 WAT +ATOM 12922 H2 TIP3 2204 -15.637 -1.971 -34.718 1.00 0.00 WAT +ATOM 12923 OH2 TIP3 2205 -21.451 -0.542 -36.918 1.00 0.00 WAT +ATOM 12924 H1 TIP3 2205 -22.295 -0.289 -37.333 1.00 0.00 WAT +ATOM 12925 H2 TIP3 2205 -21.194 -1.346 -37.406 1.00 0.00 WAT +ATOM 12926 OH2 TIP3 2206 -17.866 -0.166 -39.228 1.00 0.00 WAT +ATOM 12927 H1 TIP3 2206 -16.898 -0.103 -39.160 1.00 0.00 WAT +ATOM 12928 H2 TIP3 2206 -18.096 0.432 -39.959 1.00 0.00 WAT +ATOM 12929 OH2 TIP3 2207 -11.661 -2.634 -32.566 1.00 0.00 WAT +ATOM 12930 H1 TIP3 2207 -12.284 -2.629 -31.805 1.00 0.00 WAT +ATOM 12931 H2 TIP3 2207 -12.255 -2.969 -33.259 1.00 0.00 WAT +ATOM 12932 OH2 TIP3 2208 -19.288 1.002 -41.589 1.00 0.00 WAT +ATOM 12933 H1 TIP3 2208 -19.909 0.484 -42.129 1.00 0.00 WAT +ATOM 12934 H2 TIP3 2208 -18.537 1.131 -42.183 1.00 0.00 WAT +ATOM 12935 OH2 TIP3 2209 -8.710 13.208 -25.885 1.00 0.00 WAT +ATOM 12936 H1 TIP3 2209 -8.401 13.577 -26.732 1.00 0.00 WAT +ATOM 12937 H2 TIP3 2209 -7.967 13.432 -25.295 1.00 0.00 WAT +ATOM 12938 OH2 TIP3 2210 -20.706 5.830 -26.442 1.00 0.00 WAT +ATOM 12939 H1 TIP3 2210 -20.076 5.832 -25.694 1.00 0.00 WAT +ATOM 12940 H2 TIP3 2210 -21.542 5.692 -25.952 1.00 0.00 WAT +ATOM 12941 OH2 TIP3 2211 -15.030 0.776 -33.748 1.00 0.00 WAT +ATOM 12942 H1 TIP3 2211 -14.301 0.325 -34.199 1.00 0.00 WAT +ATOM 12943 H2 TIP3 2211 -15.209 0.172 -32.998 1.00 0.00 WAT +ATOM 12944 OH2 TIP3 2212 -19.720 -2.820 -37.652 1.00 0.00 WAT +ATOM 12945 H1 TIP3 2212 -20.281 -3.591 -37.463 1.00 0.00 WAT +ATOM 12946 H2 TIP3 2212 -18.887 -3.228 -37.927 1.00 0.00 WAT +ATOM 12947 OH2 TIP3 2213 -16.046 -0.748 -31.522 1.00 0.00 WAT +ATOM 12948 H1 TIP3 2213 -16.841 -0.192 -31.474 1.00 0.00 WAT +ATOM 12949 H2 TIP3 2213 -15.567 -0.522 -30.700 1.00 0.00 WAT +ATOM 12950 OH2 TIP3 2214 -15.915 5.616 -39.605 1.00 0.00 WAT +ATOM 12951 H1 TIP3 2214 -16.680 5.113 -39.953 1.00 0.00 WAT +ATOM 12952 H2 TIP3 2214 -16.112 5.662 -38.640 1.00 0.00 WAT +ATOM 12953 OH2 TIP3 2215 -8.698 4.790 -30.866 1.00 0.00 WAT +ATOM 12954 H1 TIP3 2215 -8.202 5.320 -31.525 1.00 0.00 WAT +ATOM 12955 H2 TIP3 2215 -9.552 4.661 -31.322 1.00 0.00 WAT +ATOM 12956 OH2 TIP3 2216 -11.765 -1.601 -41.845 1.00 0.00 WAT +ATOM 12957 H1 TIP3 2216 -12.744 -1.636 -41.854 1.00 0.00 WAT +ATOM 12958 H2 TIP3 2216 -11.554 -0.851 -41.255 1.00 0.00 WAT +ATOM 12959 OH2 TIP3 2217 -14.253 5.750 -28.292 1.00 0.00 WAT +ATOM 12960 H1 TIP3 2217 -14.547 5.291 -27.491 1.00 0.00 WAT +ATOM 12961 H2 TIP3 2217 -14.659 6.619 -28.197 1.00 0.00 WAT +ATOM 12962 OH2 TIP3 2218 -11.154 0.239 -39.878 1.00 0.00 WAT +ATOM 12963 H1 TIP3 2218 -10.290 0.059 -39.457 1.00 0.00 WAT +ATOM 12964 H2 TIP3 2218 -11.005 1.108 -40.292 1.00 0.00 WAT +ATOM 12965 OH2 TIP3 2219 -20.752 5.032 -33.771 1.00 0.00 WAT +ATOM 12966 H1 TIP3 2219 -20.218 4.880 -34.568 1.00 0.00 WAT +ATOM 12967 H2 TIP3 2219 -20.709 4.165 -33.332 1.00 0.00 WAT +ATOM 12968 OH2 TIP3 2220 -13.482 6.961 -40.685 1.00 0.00 WAT +ATOM 12969 H1 TIP3 2220 -13.772 7.841 -40.368 1.00 0.00 WAT +ATOM 12970 H2 TIP3 2220 -14.248 6.419 -40.418 1.00 0.00 WAT +ATOM 12971 OH2 TIP3 2221 -23.484 3.256 -28.524 1.00 0.00 WAT +ATOM 12972 H1 TIP3 2221 -23.405 2.819 -27.652 1.00 0.00 WAT +ATOM 12973 H2 TIP3 2221 -24.203 2.745 -28.936 1.00 0.00 WAT +ATOM 12974 OH2 TIP3 2222 -16.529 2.848 -26.561 1.00 0.00 WAT +ATOM 12975 H1 TIP3 2222 -16.895 2.522 -27.401 1.00 0.00 WAT +ATOM 12976 H2 TIP3 2222 -15.623 2.492 -26.608 1.00 0.00 WAT +ATOM 12977 OH2 TIP3 2223 -12.005 8.356 -28.845 1.00 0.00 WAT +ATOM 12978 H1 TIP3 2223 -12.975 8.360 -28.864 1.00 0.00 WAT +ATOM 12979 H2 TIP3 2223 -11.818 8.434 -27.899 1.00 0.00 WAT +ATOM 12980 OH2 TIP3 2224 -6.425 0.328 -39.994 1.00 0.00 WAT +ATOM 12981 H1 TIP3 2224 -7.065 0.150 -40.715 1.00 0.00 WAT +ATOM 12982 H2 TIP3 2224 -6.317 1.281 -40.156 1.00 0.00 WAT +ATOM 12983 OH2 TIP3 2225 -6.043 6.357 -27.265 1.00 0.00 WAT +ATOM 12984 H1 TIP3 2225 -6.990 6.534 -27.445 1.00 0.00 WAT +ATOM 12985 H2 TIP3 2225 -5.725 6.127 -28.162 1.00 0.00 WAT +ATOM 12986 OH2 TIP3 2226 -8.234 8.894 -39.900 1.00 0.00 WAT +ATOM 12987 H1 TIP3 2226 -8.490 8.094 -39.421 1.00 0.00 WAT +ATOM 12988 H2 TIP3 2226 -7.874 8.544 -40.733 1.00 0.00 WAT +ATOM 12989 OH2 TIP3 2227 -11.040 4.225 -32.581 1.00 0.00 WAT +ATOM 12990 H1 TIP3 2227 -11.973 4.044 -32.803 1.00 0.00 WAT +ATOM 12991 H2 TIP3 2227 -10.598 3.490 -33.049 1.00 0.00 WAT +ATOM 12992 OH2 TIP3 2228 -18.404 8.291 -36.527 1.00 0.00 WAT +ATOM 12993 H1 TIP3 2228 -17.987 9.157 -36.658 1.00 0.00 WAT +ATOM 12994 H2 TIP3 2228 -19.323 8.473 -36.759 1.00 0.00 WAT +ATOM 12995 OH2 TIP3 2229 -22.330 3.205 -42.000 1.00 0.00 WAT +ATOM 12996 H1 TIP3 2229 -21.792 3.856 -41.513 1.00 0.00 WAT +ATOM 12997 H2 TIP3 2229 -23.232 3.397 -41.675 1.00 0.00 WAT +ATOM 12998 OH2 TIP3 2230 -16.571 5.991 -36.904 1.00 0.00 WAT +ATOM 12999 H1 TIP3 2230 -16.898 6.892 -36.750 1.00 0.00 WAT +ATOM 13000 H2 TIP3 2230 -17.266 5.465 -36.479 1.00 0.00 WAT +ATOM 13001 OH2 TIP3 2231 -16.392 10.224 -30.519 1.00 0.00 WAT +ATOM 13002 H1 TIP3 2231 -15.824 10.940 -30.850 1.00 0.00 WAT +ATOM 13003 H2 TIP3 2231 -15.773 9.726 -29.959 1.00 0.00 WAT +ATOM 13004 OH2 TIP3 2232 -17.962 11.195 -37.334 1.00 0.00 WAT +ATOM 13005 H1 TIP3 2232 -18.918 11.332 -37.242 1.00 0.00 WAT +ATOM 13006 H2 TIP3 2232 -17.614 12.071 -37.082 1.00 0.00 WAT +ATOM 13007 OH2 TIP3 2233 -12.986 6.017 -30.974 1.00 0.00 WAT +ATOM 13008 H1 TIP3 2233 -13.296 5.717 -30.099 1.00 0.00 WAT +ATOM 13009 H2 TIP3 2233 -12.270 5.385 -31.158 1.00 0.00 WAT +ATOM 13010 OH2 TIP3 2234 -10.890 7.162 -41.963 1.00 0.00 WAT +ATOM 13011 H1 TIP3 2234 -10.363 6.781 -41.237 1.00 0.00 WAT +ATOM 13012 H2 TIP3 2234 -11.768 7.134 -41.552 1.00 0.00 WAT +ATOM 13013 OH2 TIP3 2235 -10.097 10.625 -28.532 1.00 0.00 WAT +ATOM 13014 H1 TIP3 2235 -10.829 10.133 -28.952 1.00 0.00 WAT +ATOM 13015 H2 TIP3 2235 -9.996 11.386 -29.132 1.00 0.00 WAT +ATOM 13016 OH2 TIP3 2236 -5.913 11.715 -41.393 1.00 0.00 WAT +ATOM 13017 H1 TIP3 2236 -5.238 12.422 -41.451 1.00 0.00 WAT +ATOM 13018 H2 TIP3 2236 -6.726 12.250 -41.313 1.00 0.00 WAT +ATOM 13019 OH2 TIP3 2237 -22.195 -2.091 -28.939 1.00 0.00 WAT +ATOM 13020 H1 TIP3 2237 -23.108 -1.781 -29.111 1.00 0.00 WAT +ATOM 13021 H2 TIP3 2237 -22.356 -2.930 -28.471 1.00 0.00 WAT +ATOM 13022 OH2 TIP3 2238 -9.854 5.881 -39.665 1.00 0.00 WAT +ATOM 13023 H1 TIP3 2238 -10.121 5.173 -39.051 1.00 0.00 WAT +ATOM 13024 H2 TIP3 2238 -8.882 5.845 -39.592 1.00 0.00 WAT +ATOM 13025 OH2 TIP3 2239 -22.450 9.685 -30.504 1.00 0.00 WAT +ATOM 13026 H1 TIP3 2239 -22.179 8.767 -30.352 1.00 0.00 WAT +ATOM 13027 H2 TIP3 2239 -22.224 10.070 -29.649 1.00 0.00 WAT +ATOM 13028 OH2 TIP3 2240 -16.350 8.318 -43.257 1.00 0.00 WAT +ATOM 13029 H1 TIP3 2240 -15.960 7.476 -43.548 1.00 0.00 WAT +ATOM 13030 H2 TIP3 2240 -16.907 8.015 -42.513 1.00 0.00 WAT +ATOM 13031 OH2 TIP3 2241 -17.812 7.871 -40.735 1.00 0.00 WAT +ATOM 13032 H1 TIP3 2241 -17.275 7.325 -40.142 1.00 0.00 WAT +ATOM 13033 H2 TIP3 2241 -17.573 8.780 -40.471 1.00 0.00 WAT +ATOM 13034 OH2 TIP3 2242 -20.924 5.233 -40.369 1.00 0.00 WAT +ATOM 13035 H1 TIP3 2242 -21.675 5.638 -39.888 1.00 0.00 WAT +ATOM 13036 H2 TIP3 2242 -20.449 6.025 -40.665 1.00 0.00 WAT +ATOM 13037 OH2 TIP3 2243 -13.223 -2.243 -30.369 1.00 0.00 WAT +ATOM 13038 H1 TIP3 2243 -12.633 -1.957 -29.656 1.00 0.00 WAT +ATOM 13039 H2 TIP3 2243 -13.726 -2.971 -29.952 1.00 0.00 WAT +ATOM 13040 OH2 TIP3 2244 -12.629 -2.690 -39.214 1.00 0.00 WAT +ATOM 13041 H1 TIP3 2244 -12.328 -2.180 -39.983 1.00 0.00 WAT +ATOM 13042 H2 TIP3 2244 -12.136 -2.272 -38.491 1.00 0.00 WAT +ATOM 13043 OH2 TIP3 2245 -14.832 9.456 -40.274 1.00 0.00 WAT +ATOM 13044 H1 TIP3 2245 -15.612 9.978 -40.031 1.00 0.00 WAT +ATOM 13045 H2 TIP3 2245 -14.309 10.107 -40.758 1.00 0.00 WAT +ATOM 13046 OH2 TIP3 2246 -15.201 -0.763 -38.151 1.00 0.00 WAT +ATOM 13047 H1 TIP3 2246 -14.414 -0.201 -37.998 1.00 0.00 WAT +ATOM 13048 H2 TIP3 2246 -15.492 -0.948 -37.238 1.00 0.00 WAT +ATOM 13049 OH2 TIP3 2247 -14.779 0.134 -29.005 1.00 0.00 WAT +ATOM 13050 H1 TIP3 2247 -14.773 0.631 -28.169 1.00 0.00 WAT +ATOM 13051 H2 TIP3 2247 -14.295 -0.663 -28.750 1.00 0.00 WAT +ATOM 13052 OH2 TIP3 2248 -14.569 -3.757 -37.243 1.00 0.00 WAT +ATOM 13053 H1 TIP3 2248 -14.766 -3.084 -36.564 1.00 0.00 WAT +ATOM 13054 H2 TIP3 2248 -13.856 -3.314 -37.745 1.00 0.00 WAT +ATOM 13055 OH2 TIP3 2249 -17.630 10.651 -40.250 1.00 0.00 WAT +ATOM 13056 H1 TIP3 2249 -17.594 11.505 -40.726 1.00 0.00 WAT +ATOM 13057 H2 TIP3 2249 -17.759 10.930 -39.325 1.00 0.00 WAT +ATOM 13058 OH2 TIP3 2250 -18.850 -2.687 -40.808 1.00 0.00 WAT +ATOM 13059 H1 TIP3 2250 -18.942 -1.994 -40.133 1.00 0.00 WAT +ATOM 13060 H2 TIP3 2250 -18.111 -3.208 -40.444 1.00 0.00 WAT +ATOM 13061 OH2 TIP3 2251 -8.559 -1.854 -28.107 1.00 0.00 WAT +ATOM 13062 H1 TIP3 2251 -9.516 -1.729 -28.257 1.00 0.00 WAT +ATOM 13063 H2 TIP3 2251 -8.299 -2.097 -29.007 1.00 0.00 WAT +ATOM 13064 OH2 TIP3 2252 -10.033 1.968 -34.093 1.00 0.00 WAT +ATOM 13065 H1 TIP3 2252 -10.859 1.514 -34.345 1.00 0.00 WAT +ATOM 13066 H2 TIP3 2252 -9.554 1.261 -33.608 1.00 0.00 WAT +ATOM 13067 OH2 TIP3 2253 -20.513 8.230 -41.576 1.00 0.00 WAT +ATOM 13068 H1 TIP3 2253 -19.679 8.467 -41.135 1.00 0.00 WAT +ATOM 13069 H2 TIP3 2253 -20.165 7.693 -42.305 1.00 0.00 WAT +ATOM 13070 OH2 TIP3 2254 -22.250 0.380 -42.576 1.00 0.00 WAT +ATOM 13071 H1 TIP3 2254 -22.131 1.333 -42.392 1.00 0.00 WAT +ATOM 13072 H2 TIP3 2254 -23.172 0.362 -42.887 1.00 0.00 WAT +ATOM 13073 OH2 TIP3 2255 -9.047 10.853 -32.675 1.00 0.00 WAT +ATOM 13074 H1 TIP3 2255 -9.179 11.664 -33.203 1.00 0.00 WAT +ATOM 13075 H2 TIP3 2255 -8.111 10.947 -32.442 1.00 0.00 WAT +ATOM 13076 OH2 TIP3 2256 -21.369 -4.688 -33.713 1.00 0.00 WAT +ATOM 13077 H1 TIP3 2256 -21.594 -4.688 -34.665 1.00 0.00 WAT +ATOM 13078 H2 TIP3 2256 -21.749 -5.531 -33.401 1.00 0.00 WAT +ATOM 13079 OH2 TIP3 2257 -22.490 8.917 -37.416 1.00 0.00 WAT +ATOM 13080 H1 TIP3 2257 -23.336 9.363 -37.292 1.00 0.00 WAT +ATOM 13081 H2 TIP3 2257 -22.145 9.341 -38.213 1.00 0.00 WAT +ATOM 13082 OH2 TIP3 2258 -23.117 11.727 -26.293 1.00 0.00 WAT +ATOM 13083 H1 TIP3 2258 -22.537 11.423 -25.570 1.00 0.00 WAT +ATOM 13084 H2 TIP3 2258 -23.498 10.874 -26.586 1.00 0.00 WAT +ATOM 13085 OH2 TIP3 2259 -18.269 10.849 -24.609 1.00 0.00 WAT +ATOM 13086 H1 TIP3 2259 -17.720 10.097 -24.338 1.00 0.00 WAT +ATOM 13087 H2 TIP3 2259 -18.680 10.491 -25.416 1.00 0.00 WAT +ATOM 13088 OH2 TIP3 2260 -14.210 10.155 -43.317 1.00 0.00 WAT +ATOM 13089 H1 TIP3 2260 -15.007 9.588 -43.258 1.00 0.00 WAT +ATOM 13090 H2 TIP3 2260 -13.539 9.480 -43.505 1.00 0.00 WAT +ATOM 13091 OH2 TIP3 2261 -11.985 9.107 -25.807 1.00 0.00 WAT +ATOM 13092 H1 TIP3 2261 -12.333 8.249 -25.495 1.00 0.00 WAT +ATOM 13093 H2 TIP3 2261 -11.199 9.216 -25.241 1.00 0.00 WAT +ATOM 13094 OH2 TIP3 2262 -10.259 9.818 -42.851 1.00 0.00 WAT +ATOM 13095 H1 TIP3 2262 -9.798 9.109 -42.383 1.00 0.00 WAT +ATOM 13096 H2 TIP3 2262 -9.539 10.378 -43.215 1.00 0.00 WAT +ATOM 13097 OH2 TIP3 2263 -23.132 5.456 -25.225 1.00 0.00 WAT +ATOM 13098 H1 TIP3 2263 -23.080 4.494 -25.374 1.00 0.00 WAT +ATOM 13099 H2 TIP3 2263 -23.934 5.678 -25.735 1.00 0.00 WAT +ATOM 13100 OH2 TIP3 2264 -18.877 5.970 -43.061 1.00 0.00 WAT +ATOM 13101 H1 TIP3 2264 -18.783 5.245 -42.427 1.00 0.00 WAT +ATOM 13102 H2 TIP3 2264 -18.214 5.751 -43.731 1.00 0.00 WAT +ATOM 13103 OH2 TIP3 2265 -16.524 5.588 -25.836 1.00 0.00 WAT +ATOM 13104 H1 TIP3 2265 -16.836 5.827 -26.721 1.00 0.00 WAT +ATOM 13105 H2 TIP3 2265 -16.416 4.615 -25.919 1.00 0.00 WAT +ATOM 13106 OH2 TIP3 2266 -13.603 6.958 -43.477 1.00 0.00 WAT +ATOM 13107 H1 TIP3 2266 -13.425 7.091 -42.528 1.00 0.00 WAT +ATOM 13108 H2 TIP3 2266 -12.939 6.296 -43.717 1.00 0.00 WAT +ATOM 13109 OH2 TIP3 2267 -11.166 5.155 -28.435 1.00 0.00 WAT +ATOM 13110 H1 TIP3 2267 -10.374 5.683 -28.622 1.00 0.00 WAT +ATOM 13111 H2 TIP3 2267 -11.866 5.824 -28.457 1.00 0.00 WAT +ATOM 13112 OH2 TIP3 2268 -22.326 2.526 -25.957 1.00 0.00 WAT +ATOM 13113 H1 TIP3 2268 -21.692 1.791 -25.964 1.00 0.00 WAT +ATOM 13114 H2 TIP3 2268 -22.391 2.684 -24.999 1.00 0.00 WAT +ATOM 13115 OH2 TIP3 2269 -17.860 3.864 -40.883 1.00 0.00 WAT +ATOM 13116 H1 TIP3 2269 -18.488 3.407 -40.303 1.00 0.00 WAT +ATOM 13117 H2 TIP3 2269 -17.524 3.130 -41.431 1.00 0.00 WAT +ATOM 13118 OH2 TIP3 2270 -18.631 1.621 -28.552 1.00 0.00 WAT +ATOM 13119 H1 TIP3 2270 -19.174 2.400 -28.339 1.00 0.00 WAT +ATOM 13120 H2 TIP3 2270 -17.991 1.989 -29.185 1.00 0.00 WAT +ATOM 13121 OH2 TIP3 2271 -16.681 1.985 -42.761 1.00 0.00 WAT +ATOM 13122 H1 TIP3 2271 -16.628 1.713 -43.689 1.00 0.00 WAT +ATOM 13123 H2 TIP3 2271 -15.732 1.955 -42.512 1.00 0.00 WAT +ATOM 13124 OH2 TIP3 2272 -13.338 4.377 -25.035 1.00 0.00 WAT +ATOM 13125 H1 TIP3 2272 -12.438 4.130 -25.296 1.00 0.00 WAT +ATOM 13126 H2 TIP3 2272 -13.619 3.581 -24.556 1.00 0.00 WAT +ATOM 13127 OH2 TIP3 2273 -18.034 -1.049 -27.411 1.00 0.00 WAT +ATOM 13128 H1 TIP3 2273 -18.002 -1.728 -28.109 1.00 0.00 WAT +ATOM 13129 H2 TIP3 2273 -18.278 -0.255 -27.918 1.00 0.00 WAT +ATOM 13130 OH2 TIP3 2274 -17.713 -2.619 -29.974 1.00 0.00 WAT +ATOM 13131 H1 TIP3 2274 -17.207 -2.088 -30.615 1.00 0.00 WAT +ATOM 13132 H2 TIP3 2274 -18.630 -2.577 -30.318 1.00 0.00 WAT +ATOM 13133 OH2 TIP3 2275 -16.160 2.845 -29.566 1.00 0.00 WAT +ATOM 13134 H1 TIP3 2275 -15.331 2.738 -30.052 1.00 0.00 WAT +ATOM 13135 H2 TIP3 2275 -16.470 3.714 -29.887 1.00 0.00 WAT +ATOM 13136 OH2 TIP3 2276 -11.582 0.718 -24.744 1.00 0.00 WAT +ATOM 13137 H1 TIP3 2276 -11.345 -0.220 -24.669 1.00 0.00 WAT +ATOM 13138 H2 TIP3 2276 -10.705 1.124 -24.816 1.00 0.00 WAT +ATOM 13139 OH2 TIP3 2277 -10.623 3.572 -26.251 1.00 0.00 WAT +ATOM 13140 H1 TIP3 2277 -10.956 4.166 -26.954 1.00 0.00 WAT +ATOM 13141 H2 TIP3 2277 -9.728 3.393 -26.598 1.00 0.00 WAT +ATOM 13142 OH2 TIP3 2278 -19.799 0.799 -25.564 1.00 0.00 WAT +ATOM 13143 H1 TIP3 2278 -20.371 0.014 -25.513 1.00 0.00 WAT +ATOM 13144 H2 TIP3 2278 -19.024 0.450 -26.028 1.00 0.00 WAT +ATOM 13145 OH2 TIP3 2279 -16.989 -5.282 -29.621 1.00 0.00 WAT +ATOM 13146 H1 TIP3 2279 -17.168 -4.328 -29.771 1.00 0.00 WAT +ATOM 13147 H2 TIP3 2279 -17.700 -5.694 -30.146 1.00 0.00 WAT +ATOM 13148 OH2 TIP3 2280 -15.747 -0.686 -25.817 1.00 0.00 WAT +ATOM 13149 H1 TIP3 2280 -16.068 -0.945 -24.936 1.00 0.00 WAT +ATOM 13150 H2 TIP3 2280 -16.541 -0.905 -26.351 1.00 0.00 WAT +ATOM 13151 OH2 TIP3 2281 -13.195 -1.687 -26.967 1.00 0.00 WAT +ATOM 13152 H1 TIP3 2281 -14.071 -1.631 -26.544 1.00 0.00 WAT +ATOM 13153 H2 TIP3 2281 -12.720 -2.275 -26.345 1.00 0.00 WAT +ATOM 13154 OH2 TIP3 2282 -11.413 -3.104 -25.119 1.00 0.00 WAT +ATOM 13155 H1 TIP3 2282 -11.512 -4.070 -25.012 1.00 0.00 WAT +ATOM 13156 H2 TIP3 2282 -11.553 -2.769 -24.215 1.00 0.00 WAT +ATOM 13157 OH2 TIP3 2283 -21.164 -1.781 -25.758 1.00 0.00 WAT +ATOM 13158 H1 TIP3 2283 -21.269 -2.499 -26.402 1.00 0.00 WAT +ATOM 13159 H2 TIP3 2283 -21.395 -2.227 -24.921 1.00 0.00 WAT +ATOM 13160 OH2 TIP3 2284 -17.163 -5.806 -26.795 1.00 0.00 WAT +ATOM 13161 H1 TIP3 2284 -16.556 -6.562 -26.742 1.00 0.00 WAT +ATOM 13162 H2 TIP3 2284 -17.177 -5.643 -27.758 1.00 0.00 WAT +ATOM 13163 OH2 TIP3 2285 -16.178 -3.905 -24.996 1.00 0.00 WAT +ATOM 13164 H1 TIP3 2285 -16.532 -4.510 -25.678 1.00 0.00 WAT +ATOM 13165 H2 TIP3 2285 -16.895 -3.258 -24.891 1.00 0.00 WAT +ATOM 13166 OH2 TIP3 2286 -17.078 13.119 -41.714 1.00 0.00 WAT +ATOM 13167 H1 TIP3 2286 -16.124 13.259 -41.618 1.00 0.00 WAT +ATOM 13168 H2 TIP3 2286 -17.324 13.725 -42.431 1.00 0.00 WAT +ATOM 13169 OH2 TIP3 2287 -23.235 7.217 -41.953 1.00 0.00 WAT +ATOM 13170 H1 TIP3 2287 -22.315 7.532 -41.997 1.00 0.00 WAT +ATOM 13171 H2 TIP3 2287 -23.313 6.641 -42.730 1.00 0.00 WAT +ATOM 13172 OH2 TIP3 2288 -24.225 12.703 -37.192 1.00 0.00 WAT +ATOM 13173 H1 TIP3 2288 -24.938 12.333 -37.746 1.00 0.00 WAT +ATOM 13174 H2 TIP3 2288 -24.139 12.019 -36.496 1.00 0.00 WAT +ATOM 13175 OH2 TIP3 2289 -23.877 10.747 -35.185 1.00 0.00 WAT +ATOM 13176 H1 TIP3 2289 -24.120 9.850 -34.901 1.00 0.00 WAT +ATOM 13177 H2 TIP3 2289 -23.480 11.066 -34.360 1.00 0.00 WAT +ATOM 13178 OH2 TIP3 2290 -6.306 12.035 -32.185 1.00 0.00 WAT +ATOM 13179 H1 TIP3 2290 -6.119 11.947 -31.239 1.00 0.00 WAT +ATOM 13180 H2 TIP3 2290 -5.438 12.277 -32.535 1.00 0.00 WAT +ATOM 13181 OH2 TIP3 2291 -6.407 11.443 -29.311 1.00 0.00 WAT +ATOM 13182 H1 TIP3 2291 -6.925 10.695 -29.668 1.00 0.00 WAT +ATOM 13183 H2 TIP3 2291 -5.849 10.968 -28.674 1.00 0.00 WAT +ATOM 13184 OH2 TIP3 2292 -8.424 6.878 -25.062 1.00 0.00 WAT +ATOM 13185 H1 TIP3 2292 -9.243 6.833 -24.545 1.00 0.00 WAT +ATOM 13186 H2 TIP3 2292 -7.942 7.620 -24.668 1.00 0.00 WAT +ATOM 13187 OH2 TIP3 2293 -7.004 5.693 -39.298 1.00 0.00 WAT +ATOM 13188 H1 TIP3 2293 -6.108 6.050 -39.156 1.00 0.00 WAT +ATOM 13189 H2 TIP3 2293 -7.053 5.056 -38.560 1.00 0.00 WAT +ATOM 13190 OH2 TIP3 2294 -6.548 3.704 -37.318 1.00 0.00 WAT +ATOM 13191 H1 TIP3 2294 -7.222 3.153 -36.874 1.00 0.00 WAT +ATOM 13192 H2 TIP3 2294 -5.868 3.832 -36.628 1.00 0.00 WAT +ATOM 13193 OH2 TIP3 2295 -6.828 6.231 -32.353 1.00 0.00 WAT +ATOM 13194 H1 TIP3 2295 -6.200 5.720 -32.889 1.00 0.00 WAT +ATOM 13195 H2 TIP3 2295 -6.665 7.138 -32.660 1.00 0.00 WAT +ATOM 13196 OH2 TIP3 2296 -8.116 9.200 -30.100 1.00 0.00 WAT +ATOM 13197 H1 TIP3 2296 -8.861 9.507 -29.557 1.00 0.00 WAT +ATOM 13198 H2 TIP3 2296 -8.573 8.796 -30.865 1.00 0.00 WAT +ATOM 13199 OH2 TIP3 2297 -6.239 3.398 -41.094 1.00 0.00 WAT +ATOM 13200 H1 TIP3 2297 -6.904 3.654 -41.753 1.00 0.00 WAT +ATOM 13201 H2 TIP3 2297 -6.448 4.035 -40.392 1.00 0.00 WAT +ATOM 13202 OH2 TIP3 2298 -8.028 0.772 -42.105 1.00 0.00 WAT +ATOM 13203 H1 TIP3 2298 -7.795 1.488 -42.717 1.00 0.00 WAT +ATOM 13204 H2 TIP3 2298 -7.748 -0.010 -42.592 1.00 0.00 WAT +ATOM 13205 OH2 TIP3 2299 -8.616 1.850 -36.502 1.00 0.00 WAT +ATOM 13206 H1 TIP3 2299 -8.699 0.896 -36.655 1.00 0.00 WAT +ATOM 13207 H2 TIP3 2299 -8.994 1.948 -35.605 1.00 0.00 WAT +ATOM 13208 OH2 TIP3 2300 -23.778 4.134 -32.812 1.00 0.00 WAT +ATOM 13209 H1 TIP3 2300 -23.516 4.126 -33.749 1.00 0.00 WAT +ATOM 13210 H2 TIP3 2300 -22.935 3.867 -32.390 1.00 0.00 WAT +ATOM 13211 OH2 TIP3 2301 -8.009 3.796 -27.441 1.00 0.00 WAT +ATOM 13212 H1 TIP3 2301 -7.322 3.161 -27.161 1.00 0.00 WAT +ATOM 13213 H2 TIP3 2301 -7.537 4.636 -27.407 1.00 0.00 WAT +ATOM 13214 OH2 TIP3 2302 -6.454 1.952 -26.138 1.00 0.00 WAT +ATOM 13215 H1 TIP3 2302 -7.242 1.390 -26.315 1.00 0.00 WAT +ATOM 13216 H2 TIP3 2302 -5.743 1.282 -26.152 1.00 0.00 WAT +ATOM 13217 OH2 TIP3 2303 -8.815 -2.234 -43.239 1.00 0.00 WAT +ATOM 13218 H1 TIP3 2303 -8.228 -2.684 -42.619 1.00 0.00 WAT +ATOM 13219 H2 TIP3 2303 -9.635 -2.760 -43.203 1.00 0.00 WAT +ATOM 13220 OH2 TIP3 2304 -8.817 -0.615 -38.362 1.00 0.00 WAT +ATOM 13221 H1 TIP3 2304 -8.554 -1.559 -38.286 1.00 0.00 WAT +ATOM 13222 H2 TIP3 2304 -8.001 -0.234 -38.726 1.00 0.00 WAT +ATOM 13223 OH2 TIP3 2305 -8.507 -0.030 -32.889 1.00 0.00 WAT +ATOM 13224 H1 TIP3 2305 -7.533 0.064 -32.899 1.00 0.00 WAT +ATOM 13225 H2 TIP3 2305 -8.663 -0.009 -31.927 1.00 0.00 WAT +ATOM 13226 OH2 TIP3 2306 -8.355 0.656 -30.096 1.00 0.00 WAT +ATOM 13227 H1 TIP3 2306 -9.197 1.038 -29.784 1.00 0.00 WAT +ATOM 13228 H2 TIP3 2306 -7.822 1.455 -30.264 1.00 0.00 WAT +ATOM 13229 OH2 TIP3 2307 -23.806 -0.551 -26.424 1.00 0.00 WAT +ATOM 13230 H1 TIP3 2307 -22.901 -0.883 -26.299 1.00 0.00 WAT +ATOM 13231 H2 TIP3 2307 -24.338 -1.342 -26.243 1.00 0.00 WAT +ATOM 13232 OH2 TIP3 2308 -5.713 -5.234 -24.763 1.00 0.00 WAT +ATOM 13233 H1 TIP3 2308 -5.385 -5.880 -25.413 1.00 0.00 WAT +ATOM 13234 H2 TIP3 2308 -5.754 -4.412 -25.292 1.00 0.00 WAT +ATOM 13235 OH2 TIP3 2309 -8.291 -3.379 -38.312 1.00 0.00 WAT +ATOM 13236 H1 TIP3 2309 -8.164 -3.739 -37.416 1.00 0.00 WAT +ATOM 13237 H2 TIP3 2309 -9.055 -3.907 -38.623 1.00 0.00 WAT +ATOM 13238 OH2 TIP3 2310 -23.066 -2.236 -33.649 1.00 0.00 WAT +ATOM 13239 H1 TIP3 2310 -22.635 -3.092 -33.496 1.00 0.00 WAT +ATOM 13240 H2 TIP3 2310 -22.422 -1.631 -33.235 1.00 0.00 WAT +ATOM 13241 OH2 TIP3 2311 -24.513 0.428 -32.535 1.00 0.00 WAT +ATOM 13242 H1 TIP3 2311 -23.974 0.433 -33.339 1.00 0.00 WAT +ATOM 13243 H2 TIP3 2311 -24.189 1.214 -32.077 1.00 0.00 WAT +ATOM 13244 OH2 TIP3 2312 -6.408 -3.163 -26.522 1.00 0.00 WAT +ATOM 13245 H1 TIP3 2312 -7.271 -2.719 -26.431 1.00 0.00 WAT +ATOM 13246 H2 TIP3 2312 -6.557 -3.680 -27.332 1.00 0.00 WAT +ATOM 13247 OH2 TIP3 2313 -6.270 -2.991 -41.759 1.00 0.00 WAT +ATOM 13248 H1 TIP3 2313 -6.000 -3.710 -42.339 1.00 0.00 WAT +ATOM 13249 H2 TIP3 2313 -5.445 -2.482 -41.682 1.00 0.00 WAT +ATOM 13250 OH2 TIP3 2314 -24.043 -3.245 -38.539 1.00 0.00 WAT +ATOM 13251 H1 TIP3 2314 -25.002 -3.197 -38.704 1.00 0.00 WAT +ATOM 13252 H2 TIP3 2314 -23.677 -2.622 -39.196 1.00 0.00 WAT +ATOM 13253 OH2 TIP3 2315 -9.422 12.013 -36.408 1.00 0.00 WAT +ATOM 13254 H1 TIP3 2315 -8.955 11.772 -37.226 1.00 0.00 WAT +ATOM 13255 H2 TIP3 2315 -8.710 12.399 -35.885 1.00 0.00 WAT +ATOM 13256 OH2 TIP3 2316 -24.035 -4.407 -30.383 1.00 0.00 WAT +ATOM 13257 H1 TIP3 2316 -24.716 -4.543 -29.703 1.00 0.00 WAT +ATOM 13258 H2 TIP3 2316 -24.508 -3.811 -30.995 1.00 0.00 WAT +ATOM 13259 OH2 TIP3 2317 -22.021 8.891 -25.623 1.00 0.00 WAT +ATOM 13260 H1 TIP3 2317 -22.665 8.674 -26.312 1.00 0.00 WAT +ATOM 13261 H2 TIP3 2317 -22.493 8.624 -24.821 1.00 0.00 WAT +ATOM 13262 OH2 TIP3 2318 -19.179 9.752 -29.995 1.00 0.00 WAT +ATOM 13263 H1 TIP3 2318 -19.461 10.615 -30.344 1.00 0.00 WAT +ATOM 13264 H2 TIP3 2318 -18.220 9.807 -30.176 1.00 0.00 WAT +ATOM 13265 OH2 TIP3 2319 -12.874 12.269 -27.481 1.00 0.00 WAT +ATOM 13266 H1 TIP3 2319 -12.437 11.638 -28.087 1.00 0.00 WAT +ATOM 13267 H2 TIP3 2319 -12.100 12.587 -26.986 1.00 0.00 WAT +ATOM 13268 OH2 TIP3 2320 -7.527 -4.899 -28.568 1.00 0.00 WAT +ATOM 13269 H1 TIP3 2320 -8.345 -4.714 -29.059 1.00 0.00 WAT +ATOM 13270 H2 TIP3 2320 -7.315 -5.803 -28.882 1.00 0.00 WAT +ATOM 13271 OH2 TIP3 2321 -21.758 12.699 -29.664 1.00 0.00 WAT +ATOM 13272 H1 TIP3 2321 -22.357 13.318 -30.118 1.00 0.00 WAT +ATOM 13273 H2 TIP3 2321 -22.131 12.709 -28.775 1.00 0.00 WAT +ATOM 13274 OH2 TIP3 2322 -19.198 12.501 -31.025 1.00 0.00 WAT +ATOM 13275 H1 TIP3 2322 -20.068 12.682 -30.619 1.00 0.00 WAT +ATOM 13276 H2 TIP3 2322 -19.163 13.166 -31.737 1.00 0.00 WAT +ATOM 13277 OH2 TIP3 2323 -14.617 12.457 -31.535 1.00 0.00 WAT +ATOM 13278 H1 TIP3 2323 -14.974 12.887 -32.334 1.00 0.00 WAT +ATOM 13279 H2 TIP3 2323 -14.468 13.226 -30.956 1.00 0.00 WAT +ATOM 13280 OH2 TIP3 2324 -12.269 11.293 -30.473 1.00 0.00 WAT +ATOM 13281 H1 TIP3 2324 -13.075 11.543 -30.963 1.00 0.00 WAT +ATOM 13282 H2 TIP3 2324 -11.642 11.975 -30.760 1.00 0.00 WAT +ATOM 13283 OH2 TIP3 2325 -9.723 12.929 -30.461 1.00 0.00 WAT +ATOM 13284 H1 TIP3 2325 -9.720 13.874 -30.713 1.00 0.00 WAT +ATOM 13285 H2 TIP3 2325 -9.402 12.525 -31.285 1.00 0.00 WAT +ATOM 13286 OH2 TIP3 2326 -22.211 11.479 -32.714 1.00 0.00 WAT +ATOM 13287 H1 TIP3 2326 -22.228 10.982 -31.867 1.00 0.00 WAT +ATOM 13288 H2 TIP3 2326 -21.463 11.034 -33.162 1.00 0.00 WAT +ATOM 13289 OH2 TIP3 2327 -20.201 10.242 -34.269 1.00 0.00 WAT +ATOM 13290 H1 TIP3 2327 -20.361 9.307 -34.018 1.00 0.00 WAT +ATOM 13291 H2 TIP3 2327 -19.280 10.371 -33.970 1.00 0.00 WAT +ATOM 13292 OH2 TIP3 2328 -17.433 10.697 -33.398 1.00 0.00 WAT +ATOM 13293 H1 TIP3 2328 -17.253 9.764 -33.620 1.00 0.00 WAT +ATOM 13294 H2 TIP3 2328 -17.385 10.659 -32.430 1.00 0.00 WAT +ATOM 13295 OH2 TIP3 2329 -14.113 -3.408 -34.104 1.00 0.00 WAT +ATOM 13296 H1 TIP3 2329 -14.802 -4.081 -33.942 1.00 0.00 WAT +ATOM 13297 H2 TIP3 2329 -13.505 -3.884 -34.691 1.00 0.00 WAT +ATOM 13298 OH2 TIP3 2330 -9.162 -5.402 -33.633 1.00 0.00 WAT +ATOM 13299 H1 TIP3 2330 -8.403 -4.944 -34.033 1.00 0.00 WAT +ATOM 13300 H2 TIP3 2330 -9.909 -5.086 -34.168 1.00 0.00 WAT +ATOM 13301 OH2 TIP3 2331 -7.091 -4.287 -35.780 1.00 0.00 WAT +ATOM 13302 H1 TIP3 2331 -6.361 -4.705 -36.268 1.00 0.00 WAT +ATOM 13303 H2 TIP3 2331 -6.766 -3.373 -35.666 1.00 0.00 WAT +ATOM 13304 OH2 TIP3 2332 -21.743 -4.688 -36.546 1.00 0.00 WAT +ATOM 13305 H1 TIP3 2332 -22.610 -4.819 -36.977 1.00 0.00 WAT +ATOM 13306 H2 TIP3 2332 -21.334 -5.561 -36.678 1.00 0.00 WAT +ATOM 13307 OH2 TIP3 2333 -22.985 -5.140 -40.817 1.00 0.00 WAT +ATOM 13308 H1 TIP3 2333 -22.391 -4.495 -41.262 1.00 0.00 WAT +ATOM 13309 H2 TIP3 2333 -23.311 -4.613 -40.068 1.00 0.00 WAT +ATOM 13310 OH2 TIP3 2334 -17.285 -4.873 -36.663 1.00 0.00 WAT +ATOM 13311 H1 TIP3 2334 -16.372 -4.566 -36.783 1.00 0.00 WAT +ATOM 13312 H2 TIP3 2334 -17.329 -4.948 -35.701 1.00 0.00 WAT +ATOM 13313 OH2 TIP3 2335 -11.687 -4.830 -35.240 1.00 0.00 WAT +ATOM 13314 H1 TIP3 2335 -11.442 -4.987 -36.162 1.00 0.00 WAT +ATOM 13315 H2 TIP3 2335 -12.078 -5.687 -34.987 1.00 0.00 WAT +ATOM 13316 OH2 TIP3 2336 -10.627 -4.844 -39.217 1.00 0.00 WAT +ATOM 13317 H1 TIP3 2336 -11.425 -4.364 -39.504 1.00 0.00 WAT +ATOM 13318 H2 TIP3 2336 -10.968 -5.755 -39.173 1.00 0.00 WAT +ATOM 13319 OH2 TIP3 2337 -22.896 10.752 -39.626 1.00 0.00 WAT +ATOM 13320 H1 TIP3 2337 -23.589 10.723 -40.309 1.00 0.00 WAT +ATOM 13321 H2 TIP3 2337 -22.876 11.695 -39.428 1.00 0.00 WAT +ATOM 13322 OH2 TIP3 2338 -21.293 -3.429 -42.307 1.00 0.00 WAT +ATOM 13323 H1 TIP3 2338 -20.723 -4.013 -42.823 1.00 0.00 WAT +ATOM 13324 H2 TIP3 2338 -20.637 -2.918 -41.800 1.00 0.00 WAT +ATOM 13325 OH2 TIP3 2339 -16.165 -3.248 -39.599 1.00 0.00 WAT +ATOM 13326 H1 TIP3 2339 -15.779 -3.775 -38.881 1.00 0.00 WAT +ATOM 13327 H2 TIP3 2339 -15.946 -2.358 -39.282 1.00 0.00 WAT +ATOM 13328 OH2 TIP3 2340 -14.103 12.395 -41.469 1.00 0.00 WAT +ATOM 13329 H1 TIP3 2340 -13.126 12.492 -41.515 1.00 0.00 WAT +ATOM 13330 H2 TIP3 2340 -14.230 11.769 -42.206 1.00 0.00 WAT +ATOM 13331 OH2 TIP3 2341 -7.560 11.598 -38.796 1.00 0.00 WAT +ATOM 13332 H1 TIP3 2341 -7.786 10.751 -39.234 1.00 0.00 WAT +ATOM 13333 H2 TIP3 2341 -7.675 12.231 -39.532 1.00 0.00 WAT +ATOM 13334 OH2 TIP3 2342 -21.947 -4.459 -27.039 1.00 0.00 WAT +ATOM 13335 H1 TIP3 2342 -22.378 -5.236 -26.640 1.00 0.00 WAT +ATOM 13336 H2 TIP3 2342 -21.038 -4.572 -26.716 1.00 0.00 WAT +ATOM 13337 OH2 TIP3 2343 -19.566 -5.068 -25.262 1.00 0.00 WAT +ATOM 13338 H1 TIP3 2343 -18.756 -5.443 -25.660 1.00 0.00 WAT +ATOM 13339 H2 TIP3 2343 -19.941 -5.850 -24.827 1.00 0.00 WAT +ATOM 13340 OH2 TIP3 2344 -20.877 11.834 -42.327 1.00 0.00 WAT +ATOM 13341 H1 TIP3 2344 -21.297 12.056 -41.489 1.00 0.00 WAT +ATOM 13342 H2 TIP3 2344 -20.253 11.140 -42.090 1.00 0.00 WAT +ATOM 13343 OH2 TIP3 2345 -11.451 -5.944 -25.109 1.00 0.00 WAT +ATOM 13344 H1 TIP3 2345 -11.445 -6.354 -24.221 1.00 0.00 WAT +ATOM 13345 H2 TIP3 2345 -10.504 -5.977 -25.341 1.00 0.00 WAT +ATOM 13346 OH2 TIP3 2346 -8.102 10.374 -26.408 1.00 0.00 WAT +ATOM 13347 H1 TIP3 2346 -8.837 10.169 -27.013 1.00 0.00 WAT +ATOM 13348 H2 TIP3 2346 -8.273 11.313 -26.223 1.00 0.00 WAT +ATOM 13349 OH2 TIP3 2347 6.113 4.042 -36.269 1.00 0.00 WAT +ATOM 13350 H1 TIP3 2347 6.107 5.008 -36.166 1.00 0.00 WAT +ATOM 13351 H2 TIP3 2347 5.343 3.904 -36.835 1.00 0.00 WAT +ATOM 13352 OH2 TIP3 2348 4.944 3.497 -33.189 1.00 0.00 WAT +ATOM 13353 H1 TIP3 2348 4.948 2.933 -32.398 1.00 0.00 WAT +ATOM 13354 H2 TIP3 2348 4.695 2.860 -33.876 1.00 0.00 WAT +ATOM 13355 OH2 TIP3 2349 -2.563 3.076 -31.531 1.00 0.00 WAT +ATOM 13356 H1 TIP3 2349 -2.586 2.319 -30.916 1.00 0.00 WAT +ATOM 13357 H2 TIP3 2349 -1.864 3.611 -31.125 1.00 0.00 WAT +ATOM 13358 OH2 TIP3 2350 8.630 6.234 -34.877 1.00 0.00 WAT +ATOM 13359 H1 TIP3 2350 8.273 5.506 -34.350 1.00 0.00 WAT +ATOM 13360 H2 TIP3 2350 8.942 6.833 -34.188 1.00 0.00 WAT +ATOM 13361 OH2 TIP3 2351 -1.909 7.719 -33.047 1.00 0.00 WAT +ATOM 13362 H1 TIP3 2351 -2.148 6.797 -33.287 1.00 0.00 WAT +ATOM 13363 H2 TIP3 2351 -0.988 7.584 -32.779 1.00 0.00 WAT +ATOM 13364 OH2 TIP3 2352 -4.895 1.131 -37.655 1.00 0.00 WAT +ATOM 13365 H1 TIP3 2352 -5.325 1.990 -37.517 1.00 0.00 WAT +ATOM 13366 H2 TIP3 2352 -5.613 0.615 -38.044 1.00 0.00 WAT +ATOM 13367 OH2 TIP3 2353 -4.105 3.566 -35.790 1.00 0.00 WAT +ATOM 13368 H1 TIP3 2353 -3.967 2.738 -35.290 1.00 0.00 WAT +ATOM 13369 H2 TIP3 2353 -3.253 3.663 -36.234 1.00 0.00 WAT +ATOM 13370 OH2 TIP3 2354 5.726 11.605 -34.315 1.00 0.00 WAT +ATOM 13371 H1 TIP3 2354 6.288 10.876 -34.641 1.00 0.00 WAT +ATOM 13372 H2 TIP3 2354 5.411 11.251 -33.473 1.00 0.00 WAT +ATOM 13373 OH2 TIP3 2355 3.458 6.012 -32.649 1.00 0.00 WAT +ATOM 13374 H1 TIP3 2355 3.772 5.271 -33.198 1.00 0.00 WAT +ATOM 13375 H2 TIP3 2355 4.262 6.148 -32.113 1.00 0.00 WAT +ATOM 13376 OH2 TIP3 2356 12.113 -2.480 -32.001 1.00 0.00 WAT +ATOM 13377 H1 TIP3 2356 12.360 -1.876 -31.280 1.00 0.00 WAT +ATOM 13378 H2 TIP3 2356 12.733 -2.193 -32.698 1.00 0.00 WAT +ATOM 13379 OH2 TIP3 2357 6.756 0.335 -32.129 1.00 0.00 WAT +ATOM 13380 H1 TIP3 2357 6.877 -0.627 -32.054 1.00 0.00 WAT +ATOM 13381 H2 TIP3 2357 6.658 0.440 -33.088 1.00 0.00 WAT +ATOM 13382 OH2 TIP3 2358 -0.278 -1.660 -35.050 1.00 0.00 WAT +ATOM 13383 H1 TIP3 2358 -0.139 -0.803 -35.497 1.00 0.00 WAT +ATOM 13384 H2 TIP3 2358 -0.646 -2.181 -35.786 1.00 0.00 WAT +ATOM 13385 OH2 TIP3 2359 7.553 -1.502 -36.742 1.00 0.00 WAT +ATOM 13386 H1 TIP3 2359 8.127 -1.937 -36.075 1.00 0.00 WAT +ATOM 13387 H2 TIP3 2359 8.218 -1.066 -37.295 1.00 0.00 WAT +ATOM 13388 OH2 TIP3 2360 -3.582 1.083 -34.542 1.00 0.00 WAT +ATOM 13389 H1 TIP3 2360 -2.963 0.613 -33.957 1.00 0.00 WAT +ATOM 13390 H2 TIP3 2360 -3.496 0.571 -35.365 1.00 0.00 WAT +ATOM 13391 OH2 TIP3 2361 1.800 2.464 -35.090 1.00 0.00 WAT +ATOM 13392 H1 TIP3 2361 2.502 1.916 -34.688 1.00 0.00 WAT +ATOM 13393 H2 TIP3 2361 1.288 1.789 -35.573 1.00 0.00 WAT +ATOM 13394 OH2 TIP3 2362 12.842 -1.115 -29.512 1.00 0.00 WAT +ATOM 13395 H1 TIP3 2362 12.243 -0.395 -29.779 1.00 0.00 WAT +ATOM 13396 H2 TIP3 2362 12.647 -1.167 -28.566 1.00 0.00 WAT +ATOM 13397 OH2 TIP3 2363 -1.485 -2.887 -30.906 1.00 0.00 WAT +ATOM 13398 H1 TIP3 2363 -1.894 -2.352 -31.600 1.00 0.00 WAT +ATOM 13399 H2 TIP3 2363 -2.130 -2.756 -30.178 1.00 0.00 WAT +ATOM 13400 OH2 TIP3 2364 5.980 6.875 -37.472 1.00 0.00 WAT +ATOM 13401 H1 TIP3 2364 5.729 6.675 -38.379 1.00 0.00 WAT +ATOM 13402 H2 TIP3 2364 5.552 7.734 -37.316 1.00 0.00 WAT +ATOM 13403 OH2 TIP3 2365 1.458 5.024 -30.772 1.00 0.00 WAT +ATOM 13404 H1 TIP3 2365 0.709 5.602 -30.513 1.00 0.00 WAT +ATOM 13405 H2 TIP3 2365 2.066 5.647 -31.205 1.00 0.00 WAT +ATOM 13406 OH2 TIP3 2366 9.398 -2.244 -34.702 1.00 0.00 WAT +ATOM 13407 H1 TIP3 2366 8.996 -2.836 -34.054 1.00 0.00 WAT +ATOM 13408 H2 TIP3 2366 9.917 -1.650 -34.133 1.00 0.00 WAT +ATOM 13409 OH2 TIP3 2367 -1.883 -0.796 -32.954 1.00 0.00 WAT +ATOM 13410 H1 TIP3 2367 -1.233 -0.243 -32.467 1.00 0.00 WAT +ATOM 13411 H2 TIP3 2367 -1.297 -1.184 -33.640 1.00 0.00 WAT +ATOM 13412 OH2 TIP3 2368 -0.564 6.887 -30.059 1.00 0.00 WAT +ATOM 13413 H1 TIP3 2368 -0.607 7.826 -30.319 1.00 0.00 WAT +ATOM 13414 H2 TIP3 2368 -1.422 6.792 -29.604 1.00 0.00 WAT +ATOM 13415 OH2 TIP3 2369 -4.222 6.593 -39.187 1.00 0.00 WAT +ATOM 13416 H1 TIP3 2369 -4.469 7.027 -40.027 1.00 0.00 WAT +ATOM 13417 H2 TIP3 2369 -4.094 7.338 -38.568 1.00 0.00 WAT +ATOM 13418 OH2 TIP3 2370 9.216 8.052 -32.337 1.00 0.00 WAT +ATOM 13419 H1 TIP3 2370 8.246 8.156 -32.339 1.00 0.00 WAT +ATOM 13420 H2 TIP3 2370 9.488 8.888 -32.754 1.00 0.00 WAT +ATOM 13421 OH2 TIP3 2371 9.527 -3.072 -30.849 1.00 0.00 WAT +ATOM 13422 H1 TIP3 2371 8.753 -2.703 -31.315 1.00 0.00 WAT +ATOM 13423 H2 TIP3 2371 10.250 -2.899 -31.481 1.00 0.00 WAT +ATOM 13424 OH2 TIP3 2372 2.653 -5.373 -33.822 1.00 0.00 WAT +ATOM 13425 H1 TIP3 2372 2.435 -6.323 -33.845 1.00 0.00 WAT +ATOM 13426 H2 TIP3 2372 1.840 -4.993 -33.424 1.00 0.00 WAT +ATOM 13427 OH2 TIP3 2373 7.495 9.981 -35.836 1.00 0.00 WAT +ATOM 13428 H1 TIP3 2373 7.972 9.177 -36.135 1.00 0.00 WAT +ATOM 13429 H2 TIP3 2373 8.196 10.655 -35.923 1.00 0.00 WAT +ATOM 13430 OH2 TIP3 2374 8.918 7.873 -37.167 1.00 0.00 WAT +ATOM 13431 H1 TIP3 2374 8.496 7.389 -37.889 1.00 0.00 WAT +ATOM 13432 H2 TIP3 2374 8.895 7.205 -36.454 1.00 0.00 WAT +ATOM 13433 OH2 TIP3 2375 10.486 6.709 -28.716 1.00 0.00 WAT +ATOM 13434 H1 TIP3 2375 10.390 5.999 -29.379 1.00 0.00 WAT +ATOM 13435 H2 TIP3 2375 10.667 7.484 -29.273 1.00 0.00 WAT +ATOM 13436 OH2 TIP3 2376 4.784 3.521 -39.077 1.00 0.00 WAT +ATOM 13437 H1 TIP3 2376 4.146 4.176 -39.414 1.00 0.00 WAT +ATOM 13438 H2 TIP3 2376 5.546 3.647 -39.666 1.00 0.00 WAT +ATOM 13439 OH2 TIP3 2377 4.743 1.539 -41.962 1.00 0.00 WAT +ATOM 13440 H1 TIP3 2377 5.405 1.849 -41.323 1.00 0.00 WAT +ATOM 13441 H2 TIP3 2377 5.274 0.892 -42.479 1.00 0.00 WAT +ATOM 13442 OH2 TIP3 2378 12.273 2.849 -30.745 1.00 0.00 WAT +ATOM 13443 H1 TIP3 2378 11.538 3.488 -30.663 1.00 0.00 WAT +ATOM 13444 H2 TIP3 2378 12.731 3.186 -31.539 1.00 0.00 WAT +ATOM 13445 OH2 TIP3 2379 8.271 3.562 -37.937 1.00 0.00 WAT +ATOM 13446 H1 TIP3 2379 7.589 3.763 -37.257 1.00 0.00 WAT +ATOM 13447 H2 TIP3 2379 8.877 2.995 -37.424 1.00 0.00 WAT +ATOM 13448 OH2 TIP3 2380 8.123 2.080 -29.098 1.00 0.00 WAT +ATOM 13449 H1 TIP3 2380 8.164 2.891 -28.564 1.00 0.00 WAT +ATOM 13450 H2 TIP3 2380 7.452 2.362 -29.746 1.00 0.00 WAT +ATOM 13451 OH2 TIP3 2381 -0.124 4.339 -36.169 1.00 0.00 WAT +ATOM 13452 H1 TIP3 2381 -0.419 3.880 -36.977 1.00 0.00 WAT +ATOM 13453 H2 TIP3 2381 0.514 3.702 -35.799 1.00 0.00 WAT +ATOM 13454 OH2 TIP3 2382 1.256 7.769 -33.435 1.00 0.00 WAT +ATOM 13455 H1 TIP3 2382 1.120 7.334 -34.287 1.00 0.00 WAT +ATOM 13456 H2 TIP3 2382 2.030 7.283 -33.090 1.00 0.00 WAT +ATOM 13457 OH2 TIP3 2383 0.435 3.183 -32.696 1.00 0.00 WAT +ATOM 13458 H1 TIP3 2383 1.051 3.182 -33.452 1.00 0.00 WAT +ATOM 13459 H2 TIP3 2383 0.856 3.802 -32.071 1.00 0.00 WAT +ATOM 13460 OH2 TIP3 2384 6.410 8.733 -32.048 1.00 0.00 WAT +ATOM 13461 H1 TIP3 2384 6.424 9.331 -31.284 1.00 0.00 WAT +ATOM 13462 H2 TIP3 2384 6.174 7.875 -31.653 1.00 0.00 WAT +ATOM 13463 OH2 TIP3 2385 1.319 7.524 -27.884 1.00 0.00 WAT +ATOM 13464 H1 TIP3 2385 0.780 8.115 -27.331 1.00 0.00 WAT +ATOM 13465 H2 TIP3 2385 0.657 7.200 -28.524 1.00 0.00 WAT +ATOM 13466 OH2 TIP3 2386 7.319 3.077 -40.555 1.00 0.00 WAT +ATOM 13467 H1 TIP3 2386 7.774 3.296 -39.715 1.00 0.00 WAT +ATOM 13468 H2 TIP3 2386 7.938 3.461 -41.208 1.00 0.00 WAT +ATOM 13469 OH2 TIP3 2387 -1.790 3.938 -28.762 1.00 0.00 WAT +ATOM 13470 H1 TIP3 2387 -1.719 4.407 -27.914 1.00 0.00 WAT +ATOM 13471 H2 TIP3 2387 -2.732 3.696 -28.775 1.00 0.00 WAT +ATOM 13472 OH2 TIP3 2388 4.640 9.609 -36.941 1.00 0.00 WAT +ATOM 13473 H1 TIP3 2388 5.173 9.867 -36.179 1.00 0.00 WAT +ATOM 13474 H2 TIP3 2388 4.197 10.435 -37.188 1.00 0.00 WAT +ATOM 13475 OH2 TIP3 2389 -0.615 9.672 -27.007 1.00 0.00 WAT +ATOM 13476 H1 TIP3 2389 -0.728 9.666 -27.973 1.00 0.00 WAT +ATOM 13477 H2 TIP3 2389 -1.488 9.384 -26.677 1.00 0.00 WAT +ATOM 13478 OH2 TIP3 2390 10.777 -5.338 -40.749 1.00 0.00 WAT +ATOM 13479 H1 TIP3 2390 9.824 -5.232 -40.568 1.00 0.00 WAT +ATOM 13480 H2 TIP3 2390 11.019 -4.439 -41.019 1.00 0.00 WAT +ATOM 13481 OH2 TIP3 2391 -1.170 3.057 -38.676 1.00 0.00 WAT +ATOM 13482 H1 TIP3 2391 -1.449 3.833 -39.190 1.00 0.00 WAT +ATOM 13483 H2 TIP3 2391 -1.887 2.432 -38.846 1.00 0.00 WAT +ATOM 13484 OH2 TIP3 2392 11.798 8.844 -42.361 1.00 0.00 WAT +ATOM 13485 H1 TIP3 2392 12.086 9.756 -42.220 1.00 0.00 WAT +ATOM 13486 H2 TIP3 2392 12.637 8.356 -42.423 1.00 0.00 WAT +ATOM 13487 OH2 TIP3 2393 -5.166 5.750 -29.898 1.00 0.00 WAT +ATOM 13488 H1 TIP3 2393 -5.594 5.713 -30.775 1.00 0.00 WAT +ATOM 13489 H2 TIP3 2393 -5.004 4.805 -29.713 1.00 0.00 WAT +ATOM 13490 OH2 TIP3 2394 -5.091 8.701 -32.969 1.00 0.00 WAT +ATOM 13491 H1 TIP3 2394 -4.179 8.374 -32.927 1.00 0.00 WAT +ATOM 13492 H2 TIP3 2394 -5.125 9.268 -32.186 1.00 0.00 WAT +ATOM 13493 OH2 TIP3 2395 13.247 9.302 -27.189 1.00 0.00 WAT +ATOM 13494 H1 TIP3 2395 13.163 8.344 -27.353 1.00 0.00 WAT +ATOM 13495 H2 TIP3 2395 12.347 9.512 -26.867 1.00 0.00 WAT +ATOM 13496 OH2 TIP3 2396 3.925 8.565 -28.386 1.00 0.00 WAT +ATOM 13497 H1 TIP3 2396 3.972 9.380 -27.868 1.00 0.00 WAT +ATOM 13498 H2 TIP3 2396 3.032 8.228 -28.154 1.00 0.00 WAT +ATOM 13499 OH2 TIP3 2397 4.269 12.318 -38.458 1.00 0.00 WAT +ATOM 13500 H1 TIP3 2397 4.196 12.423 -39.422 1.00 0.00 WAT +ATOM 13501 H2 TIP3 2397 4.293 13.236 -38.145 1.00 0.00 WAT +ATOM 13502 OH2 TIP3 2398 -1.977 11.467 -36.795 1.00 0.00 WAT +ATOM 13503 H1 TIP3 2398 -1.815 11.014 -35.942 1.00 0.00 WAT +ATOM 13504 H2 TIP3 2398 -2.810 11.054 -37.064 1.00 0.00 WAT +ATOM 13505 OH2 TIP3 2399 7.335 12.058 -41.027 1.00 0.00 WAT +ATOM 13506 H1 TIP3 2399 7.819 11.625 -41.738 1.00 0.00 WAT +ATOM 13507 H2 TIP3 2399 7.428 11.429 -40.279 1.00 0.00 WAT +ATOM 13508 OH2 TIP3 2400 6.961 11.029 -38.504 1.00 0.00 WAT +ATOM 13509 H1 TIP3 2400 6.042 11.282 -38.318 1.00 0.00 WAT +ATOM 13510 H2 TIP3 2400 7.142 10.425 -37.763 1.00 0.00 WAT +ATOM 13511 OH2 TIP3 2401 10.070 0.653 -26.820 1.00 0.00 WAT +ATOM 13512 H1 TIP3 2401 9.517 1.046 -27.509 1.00 0.00 WAT +ATOM 13513 H2 TIP3 2401 10.085 -0.285 -27.087 1.00 0.00 WAT +ATOM 13514 OH2 TIP3 2402 -2.972 7.316 -28.632 1.00 0.00 WAT +ATOM 13515 H1 TIP3 2402 -2.669 6.832 -27.835 1.00 0.00 WAT +ATOM 13516 H2 TIP3 2402 -3.683 6.746 -28.974 1.00 0.00 WAT +ATOM 13517 OH2 TIP3 2403 0.237 -4.229 -32.889 1.00 0.00 WAT +ATOM 13518 H1 TIP3 2403 -0.600 -4.295 -33.384 1.00 0.00 WAT +ATOM 13519 H2 TIP3 2403 0.009 -3.515 -32.272 1.00 0.00 WAT +ATOM 13520 OH2 TIP3 2404 4.633 -4.656 -29.245 1.00 0.00 WAT +ATOM 13521 H1 TIP3 2404 5.119 -5.195 -28.590 1.00 0.00 WAT +ATOM 13522 H2 TIP3 2404 3.709 -4.950 -29.127 1.00 0.00 WAT +ATOM 13523 OH2 TIP3 2405 7.680 -0.884 -28.669 1.00 0.00 WAT +ATOM 13524 H1 TIP3 2405 7.166 -0.969 -27.851 1.00 0.00 WAT +ATOM 13525 H2 TIP3 2405 7.666 0.075 -28.837 1.00 0.00 WAT +ATOM 13526 OH2 TIP3 2406 9.491 3.843 -42.472 1.00 0.00 WAT +ATOM 13527 H1 TIP3 2406 9.163 3.586 -43.344 1.00 0.00 WAT +ATOM 13528 H2 TIP3 2406 9.897 4.693 -42.687 1.00 0.00 WAT +ATOM 13529 OH2 TIP3 2407 4.422 -2.251 -42.163 1.00 0.00 WAT +ATOM 13530 H1 TIP3 2407 3.903 -2.249 -41.348 1.00 0.00 WAT +ATOM 13531 H2 TIP3 2407 3.994 -2.963 -42.653 1.00 0.00 WAT +ATOM 13532 OH2 TIP3 2408 0.068 0.564 -31.481 1.00 0.00 WAT +ATOM 13533 H1 TIP3 2408 -0.452 0.668 -30.665 1.00 0.00 WAT +ATOM 13534 H2 TIP3 2408 0.142 1.487 -31.799 1.00 0.00 WAT +ATOM 13535 OH2 TIP3 2409 0.027 0.655 -36.607 1.00 0.00 WAT +ATOM 13536 H1 TIP3 2409 -0.928 0.517 -36.757 1.00 0.00 WAT +ATOM 13537 H2 TIP3 2409 0.380 0.426 -37.487 1.00 0.00 WAT +ATOM 13538 OH2 TIP3 2410 5.717 1.175 -37.856 1.00 0.00 WAT +ATOM 13539 H1 TIP3 2410 5.314 2.001 -38.196 1.00 0.00 WAT +ATOM 13540 H2 TIP3 2410 6.370 0.977 -38.550 1.00 0.00 WAT +ATOM 13541 OH2 TIP3 2411 4.695 1.290 -26.201 1.00 0.00 WAT +ATOM 13542 H1 TIP3 2411 4.243 0.504 -25.874 1.00 0.00 WAT +ATOM 13543 H2 TIP3 2411 5.588 1.162 -25.814 1.00 0.00 WAT +ATOM 13544 OH2 TIP3 2412 6.500 0.590 -35.055 1.00 0.00 WAT +ATOM 13545 H1 TIP3 2412 6.227 1.158 -35.802 1.00 0.00 WAT +ATOM 13546 H2 TIP3 2412 6.718 -0.225 -35.551 1.00 0.00 WAT +ATOM 13547 OH2 TIP3 2413 -2.579 0.753 -29.619 1.00 0.00 WAT +ATOM 13548 H1 TIP3 2413 -2.240 1.005 -28.751 1.00 0.00 WAT +ATOM 13549 H2 TIP3 2413 -2.885 -0.155 -29.441 1.00 0.00 WAT +ATOM 13550 OH2 TIP3 2414 1.203 -1.789 -43.111 1.00 0.00 WAT +ATOM 13551 H1 TIP3 2414 0.858 -2.130 -42.264 1.00 0.00 WAT +ATOM 13552 H2 TIP3 2414 0.404 -1.370 -43.483 1.00 0.00 WAT +ATOM 13553 OH2 TIP3 2415 -5.692 -1.776 -36.023 1.00 0.00 WAT +ATOM 13554 H1 TIP3 2415 -5.102 -1.839 -35.248 1.00 0.00 WAT +ATOM 13555 H2 TIP3 2415 -5.198 -2.220 -36.727 1.00 0.00 WAT +ATOM 13556 OH2 TIP3 2416 -4.149 -1.377 -40.396 1.00 0.00 WAT +ATOM 13557 H1 TIP3 2416 -3.587 -0.883 -41.022 1.00 0.00 WAT +ATOM 13558 H2 TIP3 2416 -4.823 -0.711 -40.167 1.00 0.00 WAT +ATOM 13559 OH2 TIP3 2417 5.611 2.274 -30.572 1.00 0.00 WAT +ATOM 13560 H1 TIP3 2417 6.044 1.549 -31.080 1.00 0.00 WAT +ATOM 13561 H2 TIP3 2417 5.230 1.774 -29.832 1.00 0.00 WAT +ATOM 13562 OH2 TIP3 2418 2.802 -1.766 -35.576 1.00 0.00 WAT +ATOM 13563 H1 TIP3 2418 1.864 -1.826 -35.331 1.00 0.00 WAT +ATOM 13564 H2 TIP3 2418 3.236 -1.972 -34.729 1.00 0.00 WAT +ATOM 13565 OH2 TIP3 2419 -2.596 -0.538 -36.926 1.00 0.00 WAT +ATOM 13566 H1 TIP3 2419 -3.442 -0.297 -37.343 1.00 0.00 WAT +ATOM 13567 H2 TIP3 2419 -2.335 -1.350 -37.399 1.00 0.00 WAT +ATOM 13568 OH2 TIP3 2420 0.988 -0.181 -39.262 1.00 0.00 WAT +ATOM 13569 H1 TIP3 2420 1.954 -0.161 -39.116 1.00 0.00 WAT +ATOM 13570 H2 TIP3 2420 0.829 0.533 -39.890 1.00 0.00 WAT +ATOM 13571 OH2 TIP3 2421 7.203 -2.641 -32.566 1.00 0.00 WAT +ATOM 13572 H1 TIP3 2421 6.570 -2.634 -31.813 1.00 0.00 WAT +ATOM 13573 H2 TIP3 2421 6.616 -2.970 -33.268 1.00 0.00 WAT +ATOM 13574 OH2 TIP3 2422 -0.514 1.134 -41.746 1.00 0.00 WAT +ATOM 13575 H1 TIP3 2422 -1.070 0.439 -42.137 1.00 0.00 WAT +ATOM 13576 H2 TIP3 2422 0.344 0.982 -42.154 1.00 0.00 WAT +ATOM 13577 OH2 TIP3 2423 -1.863 5.822 -26.442 1.00 0.00 WAT +ATOM 13578 H1 TIP3 2423 -1.207 5.839 -25.713 1.00 0.00 WAT +ATOM 13579 H2 TIP3 2423 -2.683 5.721 -25.920 1.00 0.00 WAT +ATOM 13580 OH2 TIP3 2424 3.821 0.773 -33.747 1.00 0.00 WAT +ATOM 13581 H1 TIP3 2424 4.557 0.330 -34.196 1.00 0.00 WAT +ATOM 13582 H2 TIP3 2424 3.647 0.167 -32.998 1.00 0.00 WAT +ATOM 13583 OH2 TIP3 2425 -0.867 -2.817 -37.668 1.00 0.00 WAT +ATOM 13584 H1 TIP3 2425 -1.417 -3.591 -37.461 1.00 0.00 WAT +ATOM 13585 H2 TIP3 2425 -0.021 -3.224 -37.909 1.00 0.00 WAT +ATOM 13586 OH2 TIP3 2426 2.800 -0.764 -31.515 1.00 0.00 WAT +ATOM 13587 H1 TIP3 2426 2.012 -0.199 -31.465 1.00 0.00 WAT +ATOM 13588 H2 TIP3 2426 3.298 -0.526 -30.708 1.00 0.00 WAT +ATOM 13589 OH2 TIP3 2427 2.946 5.620 -39.609 1.00 0.00 WAT +ATOM 13590 H1 TIP3 2427 2.184 5.092 -39.929 1.00 0.00 WAT +ATOM 13591 H2 TIP3 2427 2.764 5.677 -38.640 1.00 0.00 WAT +ATOM 13592 OH2 TIP3 2428 10.161 4.789 -30.864 1.00 0.00 WAT +ATOM 13593 H1 TIP3 2428 10.654 5.319 -31.526 1.00 0.00 WAT +ATOM 13594 H2 TIP3 2428 9.306 4.659 -31.317 1.00 0.00 WAT +ATOM 13595 OH2 TIP3 2429 7.095 -1.681 -41.719 1.00 0.00 WAT +ATOM 13596 H1 TIP3 2429 6.128 -1.618 -41.853 1.00 0.00 WAT +ATOM 13597 H2 TIP3 2429 7.330 -0.864 -41.239 1.00 0.00 WAT +ATOM 13598 OH2 TIP3 2430 4.650 5.688 -28.288 1.00 0.00 WAT +ATOM 13599 H1 TIP3 2430 4.305 5.245 -27.497 1.00 0.00 WAT +ATOM 13600 H2 TIP3 2430 4.232 6.560 -28.237 1.00 0.00 WAT +ATOM 13601 OH2 TIP3 2431 7.697 0.276 -39.863 1.00 0.00 WAT +ATOM 13602 H1 TIP3 2431 8.562 0.062 -39.461 1.00 0.00 WAT +ATOM 13603 H2 TIP3 2431 7.876 1.127 -40.299 1.00 0.00 WAT +ATOM 13604 OH2 TIP3 2432 -1.932 5.010 -33.788 1.00 0.00 WAT +ATOM 13605 H1 TIP3 2432 -1.351 4.888 -34.557 1.00 0.00 WAT +ATOM 13606 H2 TIP3 2432 -1.824 4.164 -33.322 1.00 0.00 WAT +ATOM 13607 OH2 TIP3 2433 5.399 6.968 -40.488 1.00 0.00 WAT +ATOM 13608 H1 TIP3 2433 5.075 7.860 -40.243 1.00 0.00 WAT +ATOM 13609 H2 TIP3 2433 4.613 6.427 -40.278 1.00 0.00 WAT +ATOM 13610 OH2 TIP3 2434 -4.664 3.292 -28.493 1.00 0.00 WAT +ATOM 13611 H1 TIP3 2434 -4.491 2.835 -27.645 1.00 0.00 WAT +ATOM 13612 H2 TIP3 2434 -5.272 2.680 -28.940 1.00 0.00 WAT +ATOM 13613 OH2 TIP3 2435 2.213 2.951 -26.392 1.00 0.00 WAT +ATOM 13614 H1 TIP3 2435 1.741 2.411 -27.040 1.00 0.00 WAT +ATOM 13615 H2 TIP3 2435 2.988 2.395 -26.203 1.00 0.00 WAT +ATOM 13616 OH2 TIP3 2436 6.915 8.426 -28.808 1.00 0.00 WAT +ATOM 13617 H1 TIP3 2436 5.959 8.300 -28.926 1.00 0.00 WAT +ATOM 13618 H2 TIP3 2436 7.003 8.402 -27.844 1.00 0.00 WAT +ATOM 13619 OH2 TIP3 2437 12.414 0.345 -39.976 1.00 0.00 WAT +ATOM 13620 H1 TIP3 2437 11.799 0.143 -40.710 1.00 0.00 WAT +ATOM 13621 H2 TIP3 2437 12.539 1.291 -40.173 1.00 0.00 WAT +ATOM 13622 OH2 TIP3 2438 12.842 6.358 -27.241 1.00 0.00 WAT +ATOM 13623 H1 TIP3 2438 11.893 6.527 -27.417 1.00 0.00 WAT +ATOM 13624 H2 TIP3 2438 13.157 6.123 -28.137 1.00 0.00 WAT +ATOM 13625 OH2 TIP3 2439 10.619 8.903 -39.879 1.00 0.00 WAT +ATOM 13626 H1 TIP3 2439 10.400 8.078 -39.425 1.00 0.00 WAT +ATOM 13627 H2 TIP3 2439 10.962 8.588 -40.739 1.00 0.00 WAT +ATOM 13628 OH2 TIP3 2440 7.815 4.225 -32.579 1.00 0.00 WAT +ATOM 13629 H1 TIP3 2440 6.883 4.043 -32.802 1.00 0.00 WAT +ATOM 13630 H2 TIP3 2440 8.258 3.491 -33.050 1.00 0.00 WAT +ATOM 13631 OH2 TIP3 2441 0.450 8.287 -36.562 1.00 0.00 WAT +ATOM 13632 H1 TIP3 2441 0.871 9.157 -36.649 1.00 0.00 WAT +ATOM 13633 H2 TIP3 2441 -0.475 8.494 -36.743 1.00 0.00 WAT +ATOM 13634 OH2 TIP3 2442 -3.477 3.233 -42.029 1.00 0.00 WAT +ATOM 13635 H1 TIP3 2442 -2.940 3.852 -41.500 1.00 0.00 WAT +ATOM 13636 H2 TIP3 2442 -4.378 3.400 -41.683 1.00 0.00 WAT +ATOM 13637 OH2 TIP3 2443 2.274 5.991 -36.938 1.00 0.00 WAT +ATOM 13638 H1 TIP3 2443 1.972 6.896 -36.753 1.00 0.00 WAT +ATOM 13639 H2 TIP3 2443 1.599 5.471 -36.474 1.00 0.00 WAT +ATOM 13640 OH2 TIP3 2444 2.449 10.255 -30.533 1.00 0.00 WAT +ATOM 13641 H1 TIP3 2444 3.027 10.972 -30.846 1.00 0.00 WAT +ATOM 13642 H2 TIP3 2444 3.065 9.727 -30.000 1.00 0.00 WAT +ATOM 13643 OH2 TIP3 2445 0.888 11.185 -37.313 1.00 0.00 WAT +ATOM 13644 H1 TIP3 2445 -0.070 11.334 -37.251 1.00 0.00 WAT +ATOM 13645 H2 TIP3 2445 1.234 12.068 -37.085 1.00 0.00 WAT +ATOM 13646 OH2 TIP3 2446 5.878 6.032 -30.958 1.00 0.00 WAT +ATOM 13647 H1 TIP3 2446 5.554 5.704 -30.098 1.00 0.00 WAT +ATOM 13648 H2 TIP3 2446 6.585 5.396 -31.158 1.00 0.00 WAT +ATOM 13649 OH2 TIP3 2447 7.842 7.205 -42.101 1.00 0.00 WAT +ATOM 13650 H1 TIP3 2447 8.524 6.985 -41.443 1.00 0.00 WAT +ATOM 13651 H2 TIP3 2447 7.064 7.144 -41.525 1.00 0.00 WAT +ATOM 13652 OH2 TIP3 2448 8.617 10.988 -28.232 1.00 0.00 WAT +ATOM 13653 H1 TIP3 2448 7.957 10.343 -28.566 1.00 0.00 WAT +ATOM 13654 H2 TIP3 2448 8.798 11.482 -29.057 1.00 0.00 WAT +ATOM 13655 OH2 TIP3 2449 12.938 11.745 -41.582 1.00 0.00 WAT +ATOM 13656 H1 TIP3 2449 13.634 12.431 -41.498 1.00 0.00 WAT +ATOM 13657 H2 TIP3 2449 12.146 12.269 -41.364 1.00 0.00 WAT +ATOM 13658 OH2 TIP3 2450 -3.339 -2.073 -28.964 1.00 0.00 WAT +ATOM 13659 H1 TIP3 2450 -4.259 -1.800 -29.139 1.00 0.00 WAT +ATOM 13660 H2 TIP3 2450 -3.472 -2.891 -28.450 1.00 0.00 WAT +ATOM 13661 OH2 TIP3 2451 8.998 5.921 -39.655 1.00 0.00 WAT +ATOM 13662 H1 TIP3 2451 8.734 5.186 -39.073 1.00 0.00 WAT +ATOM 13663 H2 TIP3 2451 9.970 5.856 -39.612 1.00 0.00 WAT +ATOM 13664 OH2 TIP3 2452 -3.591 9.685 -30.501 1.00 0.00 WAT +ATOM 13665 H1 TIP3 2452 -3.304 8.773 -30.342 1.00 0.00 WAT +ATOM 13666 H2 TIP3 2452 -3.363 10.084 -29.653 1.00 0.00 WAT +ATOM 13667 OH2 TIP3 2453 2.393 8.281 -43.384 1.00 0.00 WAT +ATOM 13668 H1 TIP3 2453 3.051 7.574 -43.500 1.00 0.00 WAT +ATOM 13669 H2 TIP3 2453 2.040 8.080 -42.492 1.00 0.00 WAT +ATOM 13670 OH2 TIP3 2454 1.092 7.840 -40.828 1.00 0.00 WAT +ATOM 13671 H1 TIP3 2454 1.561 7.325 -40.151 1.00 0.00 WAT +ATOM 13672 H2 TIP3 2454 1.247 8.758 -40.519 1.00 0.00 WAT +ATOM 13673 OH2 TIP3 2455 -2.081 5.267 -40.408 1.00 0.00 WAT +ATOM 13674 H1 TIP3 2455 -2.847 5.618 -39.904 1.00 0.00 WAT +ATOM 13675 H2 TIP3 2455 -1.607 6.093 -40.586 1.00 0.00 WAT +ATOM 13676 OH2 TIP3 2456 5.638 -2.253 -30.387 1.00 0.00 WAT +ATOM 13677 H1 TIP3 2456 6.225 -1.940 -29.681 1.00 0.00 WAT +ATOM 13678 H2 TIP3 2456 5.140 -2.975 -29.955 1.00 0.00 WAT +ATOM 13679 OH2 TIP3 2457 6.171 -2.660 -39.199 1.00 0.00 WAT +ATOM 13680 H1 TIP3 2457 6.526 -2.243 -40.006 1.00 0.00 WAT +ATOM 13681 H2 TIP3 2457 6.735 -2.275 -38.511 1.00 0.00 WAT +ATOM 13682 OH2 TIP3 2458 3.994 9.436 -40.312 1.00 0.00 WAT +ATOM 13683 H1 TIP3 2458 3.221 9.957 -40.033 1.00 0.00 WAT +ATOM 13684 H2 TIP3 2458 4.538 10.120 -40.722 1.00 0.00 WAT +ATOM 13685 OH2 TIP3 2459 3.607 -0.728 -38.152 1.00 0.00 WAT +ATOM 13686 H1 TIP3 2459 4.432 -0.217 -38.019 1.00 0.00 WAT +ATOM 13687 H2 TIP3 2459 3.368 -0.951 -37.232 1.00 0.00 WAT +ATOM 13688 OH2 TIP3 2460 4.136 0.179 -29.005 1.00 0.00 WAT +ATOM 13689 H1 TIP3 2460 4.021 0.661 -28.170 1.00 0.00 WAT +ATOM 13690 H2 TIP3 2460 4.557 -0.633 -28.692 1.00 0.00 WAT +ATOM 13691 OH2 TIP3 2461 4.283 -3.752 -37.254 1.00 0.00 WAT +ATOM 13692 H1 TIP3 2461 4.105 -3.091 -36.560 1.00 0.00 WAT +ATOM 13693 H2 TIP3 2461 5.006 -3.317 -37.750 1.00 0.00 WAT +ATOM 13694 OH2 TIP3 2462 1.287 10.609 -40.244 1.00 0.00 WAT +ATOM 13695 H1 TIP3 2462 1.196 11.445 -40.748 1.00 0.00 WAT +ATOM 13696 H2 TIP3 2462 1.082 10.908 -39.340 1.00 0.00 WAT +ATOM 13697 OH2 TIP3 2463 0.004 -2.683 -40.814 1.00 0.00 WAT +ATOM 13698 H1 TIP3 2463 -0.066 -2.010 -40.116 1.00 0.00 WAT +ATOM 13699 H2 TIP3 2463 0.738 -3.226 -40.467 1.00 0.00 WAT +ATOM 13700 OH2 TIP3 2464 10.270 -1.856 -28.114 1.00 0.00 WAT +ATOM 13701 H1 TIP3 2464 9.310 -1.755 -28.265 1.00 0.00 WAT +ATOM 13702 H2 TIP3 2464 10.534 -2.098 -29.015 1.00 0.00 WAT +ATOM 13703 OH2 TIP3 2465 8.816 1.970 -34.082 1.00 0.00 WAT +ATOM 13704 H1 TIP3 2465 7.997 1.513 -34.349 1.00 0.00 WAT +ATOM 13705 H2 TIP3 2465 9.302 1.258 -33.610 1.00 0.00 WAT +ATOM 13706 OH2 TIP3 2466 -1.716 8.224 -41.593 1.00 0.00 WAT +ATOM 13707 H1 TIP3 2466 -0.938 8.618 -41.167 1.00 0.00 WAT +ATOM 13708 H2 TIP3 2466 -1.308 7.725 -42.310 1.00 0.00 WAT +ATOM 13709 OH2 TIP3 2467 -3.386 0.386 -42.594 1.00 0.00 WAT +ATOM 13710 H1 TIP3 2467 -3.279 1.333 -42.377 1.00 0.00 WAT +ATOM 13711 H2 TIP3 2467 -4.315 0.353 -42.885 1.00 0.00 WAT +ATOM 13712 OH2 TIP3 2468 9.823 10.834 -32.713 1.00 0.00 WAT +ATOM 13713 H1 TIP3 2468 9.675 11.655 -33.221 1.00 0.00 WAT +ATOM 13714 H2 TIP3 2468 10.749 10.953 -32.456 1.00 0.00 WAT +ATOM 13715 OH2 TIP3 2469 -2.545 -4.674 -33.712 1.00 0.00 WAT +ATOM 13716 H1 TIP3 2469 -2.740 -4.702 -34.669 1.00 0.00 WAT +ATOM 13717 H2 TIP3 2469 -2.887 -5.530 -33.394 1.00 0.00 WAT +ATOM 13718 OH2 TIP3 2470 -3.657 8.866 -37.450 1.00 0.00 WAT +ATOM 13719 H1 TIP3 2470 -4.467 9.355 -37.256 1.00 0.00 WAT +ATOM 13720 H2 TIP3 2470 -3.305 9.362 -38.204 1.00 0.00 WAT +ATOM 13721 OH2 TIP3 2471 -4.272 11.732 -26.270 1.00 0.00 WAT +ATOM 13722 H1 TIP3 2471 -3.667 11.432 -25.564 1.00 0.00 WAT +ATOM 13723 H2 TIP3 2471 -4.635 10.876 -26.574 1.00 0.00 WAT +ATOM 13724 OH2 TIP3 2472 0.424 10.787 -24.484 1.00 0.00 WAT +ATOM 13725 H1 TIP3 2472 1.105 10.132 -24.268 1.00 0.00 WAT +ATOM 13726 H2 TIP3 2472 0.198 10.525 -25.392 1.00 0.00 WAT +ATOM 13727 OH2 TIP3 2473 4.699 10.129 -43.305 1.00 0.00 WAT +ATOM 13728 H1 TIP3 2473 3.872 9.622 -43.250 1.00 0.00 WAT +ATOM 13729 H2 TIP3 2473 5.311 9.443 -43.628 1.00 0.00 WAT +ATOM 13730 OH2 TIP3 2474 6.903 9.080 -25.865 1.00 0.00 WAT +ATOM 13731 H1 TIP3 2474 6.482 8.259 -25.540 1.00 0.00 WAT +ATOM 13732 H2 TIP3 2474 7.620 9.195 -25.214 1.00 0.00 WAT +ATOM 13733 OH2 TIP3 2475 6.812 8.195 42.163 1.00 0.00 WAT +ATOM 13734 H1 TIP3 2475 6.997 7.603 42.898 1.00 0.00 WAT +ATOM 13735 H2 TIP3 2475 7.701 8.249 41.776 1.00 0.00 WAT +ATOM 13736 OH2 TIP3 2476 -4.326 5.474 -25.224 1.00 0.00 WAT +ATOM 13737 H1 TIP3 2476 -4.245 4.516 -25.377 1.00 0.00 WAT +ATOM 13738 H2 TIP3 2476 -5.053 5.711 -25.835 1.00 0.00 WAT +ATOM 13739 OH2 TIP3 2477 0.088 5.118 -43.532 1.00 0.00 WAT +ATOM 13740 H1 TIP3 2477 0.087 5.048 -42.562 1.00 0.00 WAT +ATOM 13741 H2 TIP3 2477 0.684 5.874 -43.684 1.00 0.00 WAT +ATOM 13742 OH2 TIP3 2478 2.345 5.603 -25.836 1.00 0.00 WAT +ATOM 13743 H1 TIP3 2478 2.004 5.818 -26.716 1.00 0.00 WAT +ATOM 13744 H2 TIP3 2478 2.422 4.620 -25.899 1.00 0.00 WAT +ATOM 13745 OH2 TIP3 2479 4.942 6.828 -43.130 1.00 0.00 WAT +ATOM 13746 H1 TIP3 2479 5.224 7.015 -42.211 1.00 0.00 WAT +ATOM 13747 H2 TIP3 2479 5.704 6.326 -43.457 1.00 0.00 WAT +ATOM 13748 OH2 TIP3 2480 7.702 5.139 -28.438 1.00 0.00 WAT +ATOM 13749 H1 TIP3 2480 8.463 5.707 -28.628 1.00 0.00 WAT +ATOM 13750 H2 TIP3 2480 6.965 5.768 -28.436 1.00 0.00 WAT +ATOM 13751 OH2 TIP3 2481 -3.394 2.502 -25.984 1.00 0.00 WAT +ATOM 13752 H1 TIP3 2481 -2.714 1.803 -25.957 1.00 0.00 WAT +ATOM 13753 H2 TIP3 2481 -3.466 2.707 -25.038 1.00 0.00 WAT +ATOM 13754 OH2 TIP3 2482 0.992 3.905 -40.841 1.00 0.00 WAT +ATOM 13755 H1 TIP3 2482 0.368 3.414 -40.283 1.00 0.00 WAT +ATOM 13756 H2 TIP3 2482 1.221 3.244 -41.513 1.00 0.00 WAT +ATOM 13757 OH2 TIP3 2483 0.241 1.638 -28.544 1.00 0.00 WAT +ATOM 13758 H1 TIP3 2483 -0.280 2.422 -28.303 1.00 0.00 WAT +ATOM 13759 H2 TIP3 2483 0.950 2.021 -29.093 1.00 0.00 WAT +ATOM 13760 OH2 TIP3 2484 2.053 2.148 -43.177 1.00 0.00 WAT +ATOM 13761 H1 TIP3 2484 2.398 1.628 -43.935 1.00 0.00 WAT +ATOM 13762 H2 TIP3 2484 2.837 2.053 -42.597 1.00 0.00 WAT +ATOM 13763 OH2 TIP3 2485 5.527 4.310 -25.014 1.00 0.00 WAT +ATOM 13764 H1 TIP3 2485 6.425 4.083 -25.296 1.00 0.00 WAT +ATOM 13765 H2 TIP3 2485 5.247 3.480 -24.611 1.00 0.00 WAT +ATOM 13766 OH2 TIP3 2486 1.036 -0.989 -27.228 1.00 0.00 WAT +ATOM 13767 H1 TIP3 2486 1.025 -1.676 -27.909 1.00 0.00 WAT +ATOM 13768 H2 TIP3 2486 0.798 -0.192 -27.723 1.00 0.00 WAT +ATOM 13769 OH2 TIP3 2487 1.117 -2.618 -29.929 1.00 0.00 WAT +ATOM 13770 H1 TIP3 2487 1.619 -2.063 -30.551 1.00 0.00 WAT +ATOM 13771 H2 TIP3 2487 0.200 -2.567 -30.269 1.00 0.00 WAT +ATOM 13772 OH2 TIP3 2488 2.664 2.824 -29.577 1.00 0.00 WAT +ATOM 13773 H1 TIP3 2488 3.526 2.751 -30.009 1.00 0.00 WAT +ATOM 13774 H2 TIP3 2488 2.382 3.720 -29.842 1.00 0.00 WAT +ATOM 13775 OH2 TIP3 2489 7.198 0.733 -24.841 1.00 0.00 WAT +ATOM 13776 H1 TIP3 2489 7.427 -0.183 -24.646 1.00 0.00 WAT +ATOM 13777 H2 TIP3 2489 8.046 1.183 -24.707 1.00 0.00 WAT +ATOM 13778 OH2 TIP3 2490 8.240 3.546 -26.268 1.00 0.00 WAT +ATOM 13779 H1 TIP3 2490 7.887 4.136 -26.965 1.00 0.00 WAT +ATOM 13780 H2 TIP3 2490 9.129 3.374 -26.631 1.00 0.00 WAT +ATOM 13781 OH2 TIP3 2491 -0.862 0.785 -25.589 1.00 0.00 WAT +ATOM 13782 H1 TIP3 2491 -1.373 0.019 -25.287 1.00 0.00 WAT +ATOM 13783 H2 TIP3 2491 -0.002 0.374 -25.771 1.00 0.00 WAT +ATOM 13784 OH2 TIP3 2492 1.897 -5.252 -29.644 1.00 0.00 WAT +ATOM 13785 H1 TIP3 2492 1.675 -4.300 -29.748 1.00 0.00 WAT +ATOM 13786 H2 TIP3 2492 1.165 -5.670 -30.132 1.00 0.00 WAT +ATOM 13787 OH2 TIP3 2493 5.356 -1.667 -26.739 1.00 0.00 WAT +ATOM 13788 H1 TIP3 2493 4.485 -1.992 -26.464 1.00 0.00 WAT +ATOM 13789 H2 TIP3 2493 5.948 -2.266 -26.251 1.00 0.00 WAT +ATOM 13790 OH2 TIP3 2494 7.504 -3.079 -25.211 1.00 0.00 WAT +ATOM 13791 H1 TIP3 2494 7.352 -4.037 -25.091 1.00 0.00 WAT +ATOM 13792 H2 TIP3 2494 7.341 -2.710 -24.323 1.00 0.00 WAT +ATOM 13793 OH2 TIP3 2495 -2.480 -1.845 -25.735 1.00 0.00 WAT +ATOM 13794 H1 TIP3 2495 -2.417 -2.600 -26.335 1.00 0.00 WAT +ATOM 13795 H2 TIP3 2495 -2.557 -2.282 -24.867 1.00 0.00 WAT +ATOM 13796 OH2 TIP3 2496 1.736 -5.904 -26.732 1.00 0.00 WAT +ATOM 13797 H1 TIP3 2496 2.395 -6.619 -26.676 1.00 0.00 WAT +ATOM 13798 H2 TIP3 2496 1.777 -5.673 -27.677 1.00 0.00 WAT +ATOM 13799 OH2 TIP3 2497 2.743 -3.667 -25.334 1.00 0.00 WAT +ATOM 13800 H1 TIP3 2497 2.382 -4.514 -25.653 1.00 0.00 WAT +ATOM 13801 H2 TIP3 2497 1.955 -3.200 -25.049 1.00 0.00 WAT +ATOM 13802 OH2 TIP3 2498 1.797 13.140 -41.720 1.00 0.00 WAT +ATOM 13803 H1 TIP3 2498 2.757 13.248 -41.636 1.00 0.00 WAT +ATOM 13804 H2 TIP3 2498 1.558 13.730 -42.451 1.00 0.00 WAT +ATOM 13805 OH2 TIP3 2499 -4.390 7.164 -41.971 1.00 0.00 WAT +ATOM 13806 H1 TIP3 2499 -3.495 7.547 -41.970 1.00 0.00 WAT +ATOM 13807 H2 TIP3 2499 -4.416 6.654 -42.792 1.00 0.00 WAT +ATOM 13808 OH2 TIP3 2500 -5.393 12.729 -37.167 1.00 0.00 WAT +ATOM 13809 H1 TIP3 2500 -6.069 12.343 -37.758 1.00 0.00 WAT +ATOM 13810 H2 TIP3 2500 -5.294 12.023 -36.497 1.00 0.00 WAT +ATOM 13811 OH2 TIP3 2501 -4.995 10.732 -35.195 1.00 0.00 WAT +ATOM 13812 H1 TIP3 2501 -5.274 9.852 -34.893 1.00 0.00 WAT +ATOM 13813 H2 TIP3 2501 -4.630 11.073 -34.364 1.00 0.00 WAT +ATOM 13814 OH2 TIP3 2502 12.551 12.053 -32.187 1.00 0.00 WAT +ATOM 13815 H1 TIP3 2502 12.750 11.960 -31.246 1.00 0.00 WAT +ATOM 13816 H2 TIP3 2502 13.420 12.264 -32.556 1.00 0.00 WAT +ATOM 13817 OH2 TIP3 2503 12.435 11.482 -29.267 1.00 0.00 WAT +ATOM 13818 H1 TIP3 2503 11.921 10.751 -29.662 1.00 0.00 WAT +ATOM 13819 H2 TIP3 2503 13.033 10.975 -28.693 1.00 0.00 WAT +ATOM 13820 OH2 TIP3 2504 10.484 6.836 -25.051 1.00 0.00 WAT +ATOM 13821 H1 TIP3 2504 9.622 6.798 -24.606 1.00 0.00 WAT +ATOM 13822 H2 TIP3 2504 10.919 7.595 -24.634 1.00 0.00 WAT +ATOM 13823 OH2 TIP3 2505 11.831 5.705 -39.292 1.00 0.00 WAT +ATOM 13824 H1 TIP3 2505 12.735 6.060 -39.186 1.00 0.00 WAT +ATOM 13825 H2 TIP3 2505 11.815 5.060 -38.559 1.00 0.00 WAT +ATOM 13826 OH2 TIP3 2506 12.302 3.721 -37.308 1.00 0.00 WAT +ATOM 13827 H1 TIP3 2506 11.642 3.145 -36.874 1.00 0.00 WAT +ATOM 13828 H2 TIP3 2506 12.992 3.832 -36.626 1.00 0.00 WAT +ATOM 13829 OH2 TIP3 2507 12.040 6.234 -32.344 1.00 0.00 WAT +ATOM 13830 H1 TIP3 2507 12.650 5.713 -32.892 1.00 0.00 WAT +ATOM 13831 H2 TIP3 2507 12.197 7.136 -32.670 1.00 0.00 WAT +ATOM 13832 OH2 TIP3 2508 10.645 9.265 -30.051 1.00 0.00 WAT +ATOM 13833 H1 TIP3 2508 9.857 9.423 -29.520 1.00 0.00 WAT +ATOM 13834 H2 TIP3 2508 10.257 8.857 -30.852 1.00 0.00 WAT +ATOM 13835 OH2 TIP3 2509 12.575 3.365 -41.059 1.00 0.00 WAT +ATOM 13836 H1 TIP3 2509 11.993 3.674 -41.768 1.00 0.00 WAT +ATOM 13837 H2 TIP3 2509 12.410 4.047 -40.388 1.00 0.00 WAT +ATOM 13838 OH2 TIP3 2510 10.816 0.780 -42.128 1.00 0.00 WAT +ATOM 13839 H1 TIP3 2510 11.128 1.479 -42.722 1.00 0.00 WAT +ATOM 13840 H2 TIP3 2510 11.129 -0.011 -42.578 1.00 0.00 WAT +ATOM 13841 OH2 TIP3 2511 10.231 1.854 -36.503 1.00 0.00 WAT +ATOM 13842 H1 TIP3 2511 10.165 0.899 -36.665 1.00 0.00 WAT +ATOM 13843 H2 TIP3 2511 9.858 1.939 -35.604 1.00 0.00 WAT +ATOM 13844 OH2 TIP3 2512 -4.907 4.094 -32.798 1.00 0.00 WAT +ATOM 13845 H1 TIP3 2512 -4.644 4.124 -33.733 1.00 0.00 WAT +ATOM 13846 H2 TIP3 2512 -4.051 3.855 -32.383 1.00 0.00 WAT +ATOM 13847 OH2 TIP3 2513 10.849 3.804 -27.421 1.00 0.00 WAT +ATOM 13848 H1 TIP3 2513 11.545 3.171 -27.160 1.00 0.00 WAT +ATOM 13849 H2 TIP3 2513 11.319 4.645 -27.414 1.00 0.00 WAT +ATOM 13850 OH2 TIP3 2514 12.385 1.921 -26.163 1.00 0.00 WAT +ATOM 13851 H1 TIP3 2514 11.609 1.363 -26.392 1.00 0.00 WAT +ATOM 13852 H2 TIP3 2514 13.102 1.256 -26.158 1.00 0.00 WAT +ATOM 13853 OH2 TIP3 2515 10.027 -2.196 -43.200 1.00 0.00 WAT +ATOM 13854 H1 TIP3 2515 10.642 -2.693 -42.649 1.00 0.00 WAT +ATOM 13855 H2 TIP3 2515 9.232 -2.764 -43.215 1.00 0.00 WAT +ATOM 13856 OH2 TIP3 2516 10.040 -0.612 -38.361 1.00 0.00 WAT +ATOM 13857 H1 TIP3 2516 10.306 -1.556 -38.291 1.00 0.00 WAT +ATOM 13858 H2 TIP3 2516 10.851 -0.229 -38.734 1.00 0.00 WAT +ATOM 13859 OH2 TIP3 2517 10.347 -0.028 -32.890 1.00 0.00 WAT +ATOM 13860 H1 TIP3 2517 11.322 0.065 -32.908 1.00 0.00 WAT +ATOM 13861 H2 TIP3 2517 10.198 -0.014 -31.928 1.00 0.00 WAT +ATOM 13862 OH2 TIP3 2518 10.494 0.657 -30.083 1.00 0.00 WAT +ATOM 13863 H1 TIP3 2518 9.649 1.052 -29.796 1.00 0.00 WAT +ATOM 13864 H2 TIP3 2518 11.032 1.448 -30.265 1.00 0.00 WAT +ATOM 13865 OH2 TIP3 2519 -4.972 -0.566 -26.434 1.00 0.00 WAT +ATOM 13866 H1 TIP3 2519 -4.039 -0.826 -26.289 1.00 0.00 WAT +ATOM 13867 H2 TIP3 2519 -5.417 -1.418 -26.280 1.00 0.00 WAT +ATOM 13868 OH2 TIP3 2520 13.019 -5.138 -24.682 1.00 0.00 WAT +ATOM 13869 H1 TIP3 2520 13.486 -5.791 -25.232 1.00 0.00 WAT +ATOM 13870 H2 TIP3 2520 13.163 -4.313 -25.180 1.00 0.00 WAT +ATOM 13871 OH2 TIP3 2521 10.557 -3.369 -38.303 1.00 0.00 WAT +ATOM 13872 H1 TIP3 2521 10.688 -3.741 -37.414 1.00 0.00 WAT +ATOM 13873 H2 TIP3 2521 9.810 -3.910 -38.630 1.00 0.00 WAT +ATOM 13874 OH2 TIP3 2522 -4.220 -2.236 -33.617 1.00 0.00 WAT +ATOM 13875 H1 TIP3 2522 -3.775 -3.094 -33.503 1.00 0.00 WAT +ATOM 13876 H2 TIP3 2522 -3.550 -1.636 -33.239 1.00 0.00 WAT +ATOM 13877 OH2 TIP3 2523 -5.689 0.439 -32.569 1.00 0.00 WAT +ATOM 13878 H1 TIP3 2523 -5.094 0.400 -33.334 1.00 0.00 WAT +ATOM 13879 H2 TIP3 2523 -5.316 1.183 -32.079 1.00 0.00 WAT +ATOM 13880 OH2 TIP3 2524 12.480 -3.134 -26.578 1.00 0.00 WAT +ATOM 13881 H1 TIP3 2524 11.598 -2.733 -26.491 1.00 0.00 WAT +ATOM 13882 H2 TIP3 2524 12.330 -3.711 -27.350 1.00 0.00 WAT +ATOM 13883 OH2 TIP3 2525 12.597 -3.003 -41.751 1.00 0.00 WAT +ATOM 13884 H1 TIP3 2525 12.856 -3.699 -42.363 1.00 0.00 WAT +ATOM 13885 H2 TIP3 2525 13.412 -2.474 -41.704 1.00 0.00 WAT +ATOM 13886 OH2 TIP3 2526 -5.188 -3.226 -38.529 1.00 0.00 WAT +ATOM 13887 H1 TIP3 2526 -6.143 -3.196 -38.709 1.00 0.00 WAT +ATOM 13888 H2 TIP3 2526 -4.817 -2.622 -39.200 1.00 0.00 WAT +ATOM 13889 OH2 TIP3 2527 9.431 12.025 -36.416 1.00 0.00 WAT +ATOM 13890 H1 TIP3 2527 9.911 11.745 -37.213 1.00 0.00 WAT +ATOM 13891 H2 TIP3 2527 10.139 12.402 -35.882 1.00 0.00 WAT +ATOM 13892 OH2 TIP3 2528 -5.151 -4.365 -30.376 1.00 0.00 WAT +ATOM 13893 H1 TIP3 2528 -5.826 -4.598 -29.725 1.00 0.00 WAT +ATOM 13894 H2 TIP3 2528 -5.667 -3.828 -31.002 1.00 0.00 WAT +ATOM 13895 OH2 TIP3 2529 -3.156 8.854 -25.660 1.00 0.00 WAT +ATOM 13896 H1 TIP3 2529 -3.852 8.694 -26.312 1.00 0.00 WAT +ATOM 13897 H2 TIP3 2529 -3.603 8.657 -24.827 1.00 0.00 WAT +ATOM 13898 OH2 TIP3 2530 -0.322 9.728 -30.010 1.00 0.00 WAT +ATOM 13899 H1 TIP3 2530 -0.613 10.594 -30.342 1.00 0.00 WAT +ATOM 13900 H2 TIP3 2530 0.640 9.808 -30.170 1.00 0.00 WAT +ATOM 13901 OH2 TIP3 2531 4.551 11.416 -27.023 1.00 0.00 WAT +ATOM 13902 H1 TIP3 2531 4.433 11.006 -26.148 1.00 0.00 WAT +ATOM 13903 H2 TIP3 2531 5.465 11.187 -27.224 1.00 0.00 WAT +ATOM 13904 OH2 TIP3 2532 11.309 -4.912 -28.560 1.00 0.00 WAT +ATOM 13905 H1 TIP3 2532 10.503 -4.727 -29.074 1.00 0.00 WAT +ATOM 13906 H2 TIP3 2532 11.537 -5.808 -28.884 1.00 0.00 WAT +ATOM 13907 OH2 TIP3 2533 -2.929 12.690 -29.666 1.00 0.00 WAT +ATOM 13908 H1 TIP3 2533 -3.522 13.325 -30.105 1.00 0.00 WAT +ATOM 13909 H2 TIP3 2533 -3.272 12.715 -28.765 1.00 0.00 WAT +ATOM 13910 OH2 TIP3 2534 -0.416 12.476 -31.081 1.00 0.00 WAT +ATOM 13911 H1 TIP3 2534 -1.271 12.647 -30.638 1.00 0.00 WAT +ATOM 13912 H2 TIP3 2534 -0.404 13.161 -31.769 1.00 0.00 WAT +ATOM 13913 OH2 TIP3 2535 4.271 12.417 -31.595 1.00 0.00 WAT +ATOM 13914 H1 TIP3 2535 3.891 12.908 -32.346 1.00 0.00 WAT +ATOM 13915 H2 TIP3 2535 4.360 13.117 -30.926 1.00 0.00 WAT +ATOM 13916 OH2 TIP3 2536 6.559 11.274 -30.472 1.00 0.00 WAT +ATOM 13917 H1 TIP3 2536 5.742 11.563 -30.921 1.00 0.00 WAT +ATOM 13918 H2 TIP3 2536 7.162 12.001 -30.676 1.00 0.00 WAT +ATOM 13919 OH2 TIP3 2537 9.151 12.900 -30.460 1.00 0.00 WAT +ATOM 13920 H1 TIP3 2537 9.151 13.851 -30.689 1.00 0.00 WAT +ATOM 13921 H2 TIP3 2537 9.445 12.518 -31.306 1.00 0.00 WAT +ATOM 13922 OH2 TIP3 2538 -3.359 11.481 -32.715 1.00 0.00 WAT +ATOM 13923 H1 TIP3 2538 -3.373 10.990 -31.864 1.00 0.00 WAT +ATOM 13924 H2 TIP3 2538 -2.605 11.042 -33.158 1.00 0.00 WAT +ATOM 13925 OH2 TIP3 2539 -1.344 10.237 -34.273 1.00 0.00 WAT +ATOM 13926 H1 TIP3 2539 -1.501 9.305 -34.010 1.00 0.00 WAT +ATOM 13927 H2 TIP3 2539 -0.428 10.377 -33.965 1.00 0.00 WAT +ATOM 13928 OH2 TIP3 2540 1.421 10.699 -33.396 1.00 0.00 WAT +ATOM 13929 H1 TIP3 2540 1.603 9.766 -33.614 1.00 0.00 WAT +ATOM 13930 H2 TIP3 2540 1.480 10.666 -32.428 1.00 0.00 WAT +ATOM 13931 OH2 TIP3 2541 4.736 -3.403 -34.118 1.00 0.00 WAT +ATOM 13932 H1 TIP3 2541 4.055 -4.082 -33.945 1.00 0.00 WAT +ATOM 13933 H2 TIP3 2541 5.357 -3.886 -34.687 1.00 0.00 WAT +ATOM 13934 OH2 TIP3 2542 9.694 -5.386 -33.622 1.00 0.00 WAT +ATOM 13935 H1 TIP3 2542 10.455 -4.946 -34.040 1.00 0.00 WAT +ATOM 13936 H2 TIP3 2542 8.950 -5.093 -34.173 1.00 0.00 WAT +ATOM 13937 OH2 TIP3 2543 11.773 -4.292 -35.760 1.00 0.00 WAT +ATOM 13938 H1 TIP3 2543 12.489 -4.704 -36.274 1.00 0.00 WAT +ATOM 13939 H2 TIP3 2543 12.094 -3.372 -35.673 1.00 0.00 WAT +ATOM 13940 OH2 TIP3 2544 -2.888 -4.686 -36.550 1.00 0.00 WAT +ATOM 13941 H1 TIP3 2544 -3.756 -4.829 -36.974 1.00 0.00 WAT +ATOM 13942 H2 TIP3 2544 -2.473 -5.560 -36.674 1.00 0.00 WAT +ATOM 13943 OH2 TIP3 2545 -4.144 -5.135 -40.819 1.00 0.00 WAT +ATOM 13944 H1 TIP3 2545 -3.536 -4.501 -41.261 1.00 0.00 WAT +ATOM 13945 H2 TIP3 2545 -4.448 -4.612 -40.059 1.00 0.00 WAT +ATOM 13946 OH2 TIP3 2546 1.554 -4.847 -36.654 1.00 0.00 WAT +ATOM 13947 H1 TIP3 2546 2.474 -4.568 -36.797 1.00 0.00 WAT +ATOM 13948 H2 TIP3 2546 1.544 -4.955 -35.694 1.00 0.00 WAT +ATOM 13949 OH2 TIP3 2547 7.159 -4.828 -35.243 1.00 0.00 WAT +ATOM 13950 H1 TIP3 2547 7.420 -4.984 -36.162 1.00 0.00 WAT +ATOM 13951 H2 TIP3 2547 6.779 -5.691 -34.994 1.00 0.00 WAT +ATOM 13952 OH2 TIP3 2548 8.212 -4.842 -39.195 1.00 0.00 WAT +ATOM 13953 H1 TIP3 2548 7.427 -4.389 -39.543 1.00 0.00 WAT +ATOM 13954 H2 TIP3 2548 7.893 -5.763 -39.163 1.00 0.00 WAT +ATOM 13955 OH2 TIP3 2549 -4.046 10.711 -39.567 1.00 0.00 WAT +ATOM 13956 H1 TIP3 2549 -4.767 10.745 -40.225 1.00 0.00 WAT +ATOM 13957 H2 TIP3 2549 -3.886 11.656 -39.451 1.00 0.00 WAT +ATOM 13958 OH2 TIP3 2550 -2.432 -3.418 -42.300 1.00 0.00 WAT +ATOM 13959 H1 TIP3 2550 -1.880 -4.016 -42.822 1.00 0.00 WAT +ATOM 13960 H2 TIP3 2550 -1.758 -2.937 -41.787 1.00 0.00 WAT +ATOM 13961 OH2 TIP3 2551 2.674 -3.239 -39.591 1.00 0.00 WAT +ATOM 13962 H1 TIP3 2551 3.079 -3.783 -38.897 1.00 0.00 WAT +ATOM 13963 H2 TIP3 2551 2.930 -2.359 -39.274 1.00 0.00 WAT +ATOM 13964 OH2 TIP3 2552 4.634 12.414 -41.461 1.00 0.00 WAT +ATOM 13965 H1 TIP3 2552 5.603 12.543 -41.376 1.00 0.00 WAT +ATOM 13966 H2 TIP3 2552 4.607 11.807 -42.223 1.00 0.00 WAT +ATOM 13967 OH2 TIP3 2553 11.377 11.549 -38.797 1.00 0.00 WAT +ATOM 13968 H1 TIP3 2553 11.106 10.711 -39.230 1.00 0.00 WAT +ATOM 13969 H2 TIP3 2553 11.123 12.209 -39.477 1.00 0.00 WAT +ATOM 13970 OH2 TIP3 2554 -3.186 -4.480 -27.119 1.00 0.00 WAT +ATOM 13971 H1 TIP3 2554 -3.595 -5.254 -26.696 1.00 0.00 WAT +ATOM 13972 H2 TIP3 2554 -2.263 -4.590 -26.824 1.00 0.00 WAT +ATOM 13973 OH2 TIP3 2555 -0.841 -5.167 -25.597 1.00 0.00 WAT +ATOM 13974 H1 TIP3 2555 0.043 -5.454 -25.905 1.00 0.00 WAT +ATOM 13975 H2 TIP3 2555 -0.932 -5.687 -24.786 1.00 0.00 WAT +ATOM 13976 OH2 TIP3 2556 -1.664 11.931 -41.920 1.00 0.00 WAT +ATOM 13977 H1 TIP3 2556 -2.570 12.107 -41.644 1.00 0.00 WAT +ATOM 13978 H2 TIP3 2556 -1.673 11.064 -42.319 1.00 0.00 WAT +ATOM 13979 OH2 TIP3 2557 7.414 -5.918 -25.075 1.00 0.00 WAT +ATOM 13980 H1 TIP3 2557 7.381 -6.292 -24.177 1.00 0.00 WAT +ATOM 13981 H2 TIP3 2557 8.363 -5.980 -25.290 1.00 0.00 WAT +ATOM 13982 OH2 TIP3 2558 10.781 10.515 -26.400 1.00 0.00 WAT +ATOM 13983 H1 TIP3 2558 10.022 10.359 -26.993 1.00 0.00 WAT +ATOM 13984 H2 TIP3 2558 10.936 11.460 -26.480 1.00 0.00 WAT +ATOM 13985 OH2 TIP3 2559 24.972 4.045 -36.277 1.00 0.00 WAT +ATOM 13986 H1 TIP3 2559 24.952 5.010 -36.172 1.00 0.00 WAT +ATOM 13987 H2 TIP3 2559 24.206 3.900 -36.850 1.00 0.00 WAT +ATOM 13988 OH2 TIP3 2560 23.818 3.493 -33.193 1.00 0.00 WAT +ATOM 13989 H1 TIP3 2560 23.808 2.920 -32.410 1.00 0.00 WAT +ATOM 13990 H2 TIP3 2560 23.550 2.873 -33.888 1.00 0.00 WAT +ATOM 13991 OH2 TIP3 2561 16.283 3.077 -31.527 1.00 0.00 WAT +ATOM 13992 H1 TIP3 2561 16.270 2.321 -30.911 1.00 0.00 WAT +ATOM 13993 H2 TIP3 2561 17.001 3.607 -31.152 1.00 0.00 WAT +ATOM 13994 OH2 TIP3 2562 27.507 6.237 -34.882 1.00 0.00 WAT +ATOM 13995 H1 TIP3 2562 27.125 5.515 -34.365 1.00 0.00 WAT +ATOM 13996 H2 TIP3 2562 27.782 6.845 -34.183 1.00 0.00 WAT +ATOM 13997 OH2 TIP3 2563 16.942 7.714 -33.020 1.00 0.00 WAT +ATOM 13998 H1 TIP3 2563 16.710 6.797 -33.284 1.00 0.00 WAT +ATOM 13999 H2 TIP3 2563 17.880 7.586 -32.811 1.00 0.00 WAT +ATOM 14000 OH2 TIP3 2564 13.942 1.115 -37.613 1.00 0.00 WAT +ATOM 14001 H1 TIP3 2564 13.534 1.991 -37.541 1.00 0.00 WAT +ATOM 14002 H2 TIP3 2564 13.255 0.621 -38.082 1.00 0.00 WAT +ATOM 14003 OH2 TIP3 2565 14.756 3.576 -35.766 1.00 0.00 WAT +ATOM 14004 H1 TIP3 2565 14.901 2.729 -35.302 1.00 0.00 WAT +ATOM 14005 H2 TIP3 2565 15.578 3.663 -36.268 1.00 0.00 WAT +ATOM 14006 OH2 TIP3 2566 24.579 11.605 -34.300 1.00 0.00 WAT +ATOM 14007 H1 TIP3 2566 25.139 10.882 -34.643 1.00 0.00 WAT +ATOM 14008 H2 TIP3 2566 24.285 11.240 -33.456 1.00 0.00 WAT +ATOM 14009 OH2 TIP3 2567 22.303 6.004 -32.631 1.00 0.00 WAT +ATOM 14010 H1 TIP3 2567 22.617 5.283 -33.206 1.00 0.00 WAT +ATOM 14011 H2 TIP3 2567 23.119 6.145 -32.113 1.00 0.00 WAT +ATOM 14012 OH2 TIP3 2568 30.973 -2.463 -32.023 1.00 0.00 WAT +ATOM 14013 H1 TIP3 2568 31.239 -1.867 -31.303 1.00 0.00 WAT +ATOM 14014 H2 TIP3 2568 31.616 -2.214 -32.712 1.00 0.00 WAT +ATOM 14015 OH2 TIP3 2569 25.605 0.335 -32.129 1.00 0.00 WAT +ATOM 14016 H1 TIP3 2569 25.743 -0.625 -32.061 1.00 0.00 WAT +ATOM 14017 H2 TIP3 2569 25.513 0.445 -33.089 1.00 0.00 WAT +ATOM 14018 OH2 TIP3 2570 18.574 -1.661 -35.048 1.00 0.00 WAT +ATOM 14019 H1 TIP3 2570 18.719 -0.807 -35.501 1.00 0.00 WAT +ATOM 14020 H2 TIP3 2570 18.216 -2.182 -35.791 1.00 0.00 WAT +ATOM 14021 OH2 TIP3 2571 26.407 -1.500 -36.737 1.00 0.00 WAT +ATOM 14022 H1 TIP3 2571 26.986 -1.934 -36.073 1.00 0.00 WAT +ATOM 14023 H2 TIP3 2571 27.068 -1.069 -37.298 1.00 0.00 WAT +ATOM 14024 OH2 TIP3 2572 15.268 1.077 -34.538 1.00 0.00 WAT +ATOM 14025 H1 TIP3 2572 15.895 0.597 -33.972 1.00 0.00 WAT +ATOM 14026 H2 TIP3 2572 15.350 0.586 -35.375 1.00 0.00 WAT +ATOM 14027 OH2 TIP3 2573 20.645 2.460 -35.077 1.00 0.00 WAT +ATOM 14028 H1 TIP3 2573 21.353 1.909 -34.689 1.00 0.00 WAT +ATOM 14029 H2 TIP3 2573 20.148 1.795 -35.590 1.00 0.00 WAT +ATOM 14030 OH2 TIP3 2574 31.711 -1.093 -29.511 1.00 0.00 WAT +ATOM 14031 H1 TIP3 2574 31.086 -0.400 -29.792 1.00 0.00 WAT +ATOM 14032 H2 TIP3 2574 31.495 -1.155 -28.571 1.00 0.00 WAT +ATOM 14033 OH2 TIP3 2575 17.383 -2.875 -30.896 1.00 0.00 WAT +ATOM 14034 H1 TIP3 2575 16.968 -2.364 -31.606 1.00 0.00 WAT +ATOM 14035 H2 TIP3 2575 16.729 -2.747 -30.177 1.00 0.00 WAT +ATOM 14036 OH2 TIP3 2576 24.882 6.907 -37.505 1.00 0.00 WAT +ATOM 14037 H1 TIP3 2576 24.557 6.658 -38.375 1.00 0.00 WAT +ATOM 14038 H2 TIP3 2576 24.399 7.735 -37.329 1.00 0.00 WAT +ATOM 14039 OH2 TIP3 2577 20.323 5.023 -30.755 1.00 0.00 WAT +ATOM 14040 H1 TIP3 2577 19.576 5.610 -30.515 1.00 0.00 WAT +ATOM 14041 H2 TIP3 2577 20.932 5.631 -31.212 1.00 0.00 WAT +ATOM 14042 OH2 TIP3 2578 28.245 -2.237 -34.700 1.00 0.00 WAT +ATOM 14043 H1 TIP3 2578 27.858 -2.846 -34.057 1.00 0.00 WAT +ATOM 14044 H2 TIP3 2578 28.775 -1.656 -34.129 1.00 0.00 WAT +ATOM 14045 OH2 TIP3 2579 16.976 -0.813 -32.950 1.00 0.00 WAT +ATOM 14046 H1 TIP3 2579 17.629 -0.248 -32.485 1.00 0.00 WAT +ATOM 14047 H2 TIP3 2579 17.547 -1.189 -33.656 1.00 0.00 WAT +ATOM 14048 OH2 TIP3 2580 18.300 6.888 -30.033 1.00 0.00 WAT +ATOM 14049 H1 TIP3 2580 18.252 7.810 -30.344 1.00 0.00 WAT +ATOM 14050 H2 TIP3 2580 17.431 6.806 -29.598 1.00 0.00 WAT +ATOM 14051 OH2 TIP3 2581 14.570 6.593 -39.181 1.00 0.00 WAT +ATOM 14052 H1 TIP3 2581 14.424 7.004 -40.058 1.00 0.00 WAT +ATOM 14053 H2 TIP3 2581 14.752 7.347 -38.592 1.00 0.00 WAT +ATOM 14054 OH2 TIP3 2582 28.062 8.044 -32.371 1.00 0.00 WAT +ATOM 14055 H1 TIP3 2582 27.092 8.147 -32.356 1.00 0.00 WAT +ATOM 14056 H2 TIP3 2582 28.327 8.899 -32.754 1.00 0.00 WAT +ATOM 14057 OH2 TIP3 2583 28.399 -3.059 -30.848 1.00 0.00 WAT +ATOM 14058 H1 TIP3 2583 27.620 -2.698 -31.311 1.00 0.00 WAT +ATOM 14059 H2 TIP3 2583 29.115 -2.901 -31.491 1.00 0.00 WAT +ATOM 14060 OH2 TIP3 2584 21.516 -5.373 -33.809 1.00 0.00 WAT +ATOM 14061 H1 TIP3 2584 21.294 -6.321 -33.847 1.00 0.00 WAT +ATOM 14062 H2 TIP3 2584 20.698 -4.993 -33.425 1.00 0.00 WAT +ATOM 14063 OH2 TIP3 2585 26.354 9.978 -35.801 1.00 0.00 WAT +ATOM 14064 H1 TIP3 2585 26.821 9.182 -36.125 1.00 0.00 WAT +ATOM 14065 H2 TIP3 2585 27.029 10.668 -35.943 1.00 0.00 WAT +ATOM 14066 OH2 TIP3 2586 27.811 7.855 -37.201 1.00 0.00 WAT +ATOM 14067 H1 TIP3 2586 27.305 7.386 -37.880 1.00 0.00 WAT +ATOM 14068 H2 TIP3 2586 27.761 7.216 -36.463 1.00 0.00 WAT +ATOM 14069 OH2 TIP3 2587 29.360 6.674 -28.710 1.00 0.00 WAT +ATOM 14070 H1 TIP3 2587 29.245 6.011 -29.417 1.00 0.00 WAT +ATOM 14071 H2 TIP3 2587 29.480 7.495 -29.219 1.00 0.00 WAT +ATOM 14072 OH2 TIP3 2588 23.655 3.557 -39.041 1.00 0.00 WAT +ATOM 14073 H1 TIP3 2588 22.975 4.153 -39.407 1.00 0.00 WAT +ATOM 14074 H2 TIP3 2588 24.362 3.629 -39.700 1.00 0.00 WAT +ATOM 14075 OH2 TIP3 2589 23.830 1.784 -42.057 1.00 0.00 WAT +ATOM 14076 H1 TIP3 2589 24.519 2.097 -41.447 1.00 0.00 WAT +ATOM 14077 H2 TIP3 2589 24.363 1.178 -42.618 1.00 0.00 WAT +ATOM 14078 OH2 TIP3 2590 31.120 2.848 -30.757 1.00 0.00 WAT +ATOM 14079 H1 TIP3 2590 30.385 3.487 -30.681 1.00 0.00 WAT +ATOM 14080 H2 TIP3 2590 31.581 3.183 -31.550 1.00 0.00 WAT +ATOM 14081 OH2 TIP3 2591 27.139 3.578 -37.938 1.00 0.00 WAT +ATOM 14082 H1 TIP3 2591 26.438 3.774 -37.274 1.00 0.00 WAT +ATOM 14083 H2 TIP3 2591 27.716 2.988 -37.420 1.00 0.00 WAT +ATOM 14084 OH2 TIP3 2592 26.973 2.107 -29.097 1.00 0.00 WAT +ATOM 14085 H1 TIP3 2592 27.015 2.930 -28.583 1.00 0.00 WAT +ATOM 14086 H2 TIP3 2592 26.310 2.377 -29.758 1.00 0.00 WAT +ATOM 14087 OH2 TIP3 2593 18.719 4.341 -36.156 1.00 0.00 WAT +ATOM 14088 H1 TIP3 2593 18.406 3.912 -36.977 1.00 0.00 WAT +ATOM 14089 H2 TIP3 2593 19.366 3.693 -35.826 1.00 0.00 WAT +ATOM 14090 OH2 TIP3 2594 20.092 7.752 -33.419 1.00 0.00 WAT +ATOM 14091 H1 TIP3 2594 19.971 7.357 -34.294 1.00 0.00 WAT +ATOM 14092 H2 TIP3 2594 20.881 7.275 -33.097 1.00 0.00 WAT +ATOM 14093 OH2 TIP3 2595 19.304 3.151 -32.668 1.00 0.00 WAT +ATOM 14094 H1 TIP3 2595 19.875 3.168 -33.460 1.00 0.00 WAT +ATOM 14095 H2 TIP3 2595 19.721 3.810 -32.085 1.00 0.00 WAT +ATOM 14096 OH2 TIP3 2596 25.251 8.669 -32.088 1.00 0.00 WAT +ATOM 14097 H1 TIP3 2596 25.282 9.323 -31.370 1.00 0.00 WAT +ATOM 14098 H2 TIP3 2596 25.025 7.840 -31.629 1.00 0.00 WAT +ATOM 14099 OH2 TIP3 2597 20.153 7.483 -27.835 1.00 0.00 WAT +ATOM 14100 H1 TIP3 2597 19.619 8.144 -27.361 1.00 0.00 WAT +ATOM 14101 H2 TIP3 2597 19.524 7.189 -28.523 1.00 0.00 WAT +ATOM 14102 OH2 TIP3 2598 26.205 3.033 -40.569 1.00 0.00 WAT +ATOM 14103 H1 TIP3 2598 26.629 3.284 -39.722 1.00 0.00 WAT +ATOM 14104 H2 TIP3 2598 26.803 3.456 -41.213 1.00 0.00 WAT +ATOM 14105 OH2 TIP3 2599 17.077 3.904 -28.735 1.00 0.00 WAT +ATOM 14106 H1 TIP3 2599 17.125 4.427 -27.917 1.00 0.00 WAT +ATOM 14107 H2 TIP3 2599 16.126 3.705 -28.784 1.00 0.00 WAT +ATOM 14108 OH2 TIP3 2600 23.529 9.614 -36.941 1.00 0.00 WAT +ATOM 14109 H1 TIP3 2600 24.038 9.895 -36.171 1.00 0.00 WAT +ATOM 14110 H2 TIP3 2600 23.065 10.422 -37.206 1.00 0.00 WAT +ATOM 14111 OH2 TIP3 2601 18.248 9.666 -27.010 1.00 0.00 WAT +ATOM 14112 H1 TIP3 2601 18.140 9.687 -27.977 1.00 0.00 WAT +ATOM 14113 H2 TIP3 2601 17.368 9.383 -26.695 1.00 0.00 WAT +ATOM 14114 OH2 TIP3 2602 29.635 -5.329 -40.751 1.00 0.00 WAT +ATOM 14115 H1 TIP3 2602 28.684 -5.232 -40.557 1.00 0.00 WAT +ATOM 14116 H2 TIP3 2602 29.868 -4.427 -41.015 1.00 0.00 WAT +ATOM 14117 OH2 TIP3 2603 17.631 3.093 -38.604 1.00 0.00 WAT +ATOM 14118 H1 TIP3 2603 17.423 3.838 -39.199 1.00 0.00 WAT +ATOM 14119 H2 TIP3 2603 16.990 2.430 -38.892 1.00 0.00 WAT +ATOM 14120 OH2 TIP3 2604 30.716 9.026 -42.531 1.00 0.00 WAT +ATOM 14121 H1 TIP3 2604 30.984 9.815 -42.037 1.00 0.00 WAT +ATOM 14122 H2 TIP3 2604 31.418 8.377 -42.353 1.00 0.00 WAT +ATOM 14123 OH2 TIP3 2605 13.691 5.752 -29.895 1.00 0.00 WAT +ATOM 14124 H1 TIP3 2605 13.264 5.733 -30.773 1.00 0.00 WAT +ATOM 14125 H2 TIP3 2605 13.847 4.803 -29.730 1.00 0.00 WAT +ATOM 14126 OH2 TIP3 2606 13.761 8.697 -32.960 1.00 0.00 WAT +ATOM 14127 H1 TIP3 2606 14.673 8.368 -32.940 1.00 0.00 WAT +ATOM 14128 H2 TIP3 2606 13.752 9.278 -32.187 1.00 0.00 WAT +ATOM 14129 OH2 TIP3 2607 32.140 9.290 -27.206 1.00 0.00 WAT +ATOM 14130 H1 TIP3 2607 32.033 8.336 -27.375 1.00 0.00 WAT +ATOM 14131 H2 TIP3 2607 31.234 9.524 -26.906 1.00 0.00 WAT +ATOM 14132 OH2 TIP3 2608 22.789 8.519 -28.395 1.00 0.00 WAT +ATOM 14133 H1 TIP3 2608 22.859 9.343 -27.875 1.00 0.00 WAT +ATOM 14134 H2 TIP3 2608 21.885 8.218 -28.173 1.00 0.00 WAT +ATOM 14135 OH2 TIP3 2609 23.077 12.325 -38.456 1.00 0.00 WAT +ATOM 14136 H1 TIP3 2609 23.089 12.394 -39.427 1.00 0.00 WAT +ATOM 14137 H2 TIP3 2609 23.162 13.247 -38.170 1.00 0.00 WAT +ATOM 14138 OH2 TIP3 2610 16.858 11.483 -36.790 1.00 0.00 WAT +ATOM 14139 H1 TIP3 2610 17.048 11.023 -35.947 1.00 0.00 WAT +ATOM 14140 H2 TIP3 2610 16.054 11.019 -37.065 1.00 0.00 WAT +ATOM 14141 OH2 TIP3 2611 26.412 11.913 -41.433 1.00 0.00 WAT +ATOM 14142 H1 TIP3 2611 26.827 11.322 -42.098 1.00 0.00 WAT +ATOM 14143 H2 TIP3 2611 26.387 11.329 -40.662 1.00 0.00 WAT +ATOM 14144 OH2 TIP3 2612 25.830 11.242 -38.574 1.00 0.00 WAT +ATOM 14145 H1 TIP3 2612 24.875 11.347 -38.428 1.00 0.00 WAT +ATOM 14146 H2 TIP3 2612 26.021 10.500 -37.980 1.00 0.00 WAT +ATOM 14147 OH2 TIP3 2613 28.942 0.664 -26.794 1.00 0.00 WAT +ATOM 14148 H1 TIP3 2613 28.408 1.035 -27.509 1.00 0.00 WAT +ATOM 14149 H2 TIP3 2613 28.977 -0.278 -27.048 1.00 0.00 WAT +ATOM 14150 OH2 TIP3 2614 15.874 7.325 -28.631 1.00 0.00 WAT +ATOM 14151 H1 TIP3 2614 16.175 6.832 -27.839 1.00 0.00 WAT +ATOM 14152 H2 TIP3 2614 15.162 6.759 -28.981 1.00 0.00 WAT +ATOM 14153 OH2 TIP3 2615 19.097 -4.229 -32.889 1.00 0.00 WAT +ATOM 14154 H1 TIP3 2615 18.272 -4.290 -33.403 1.00 0.00 WAT +ATOM 14155 H2 TIP3 2615 18.867 -3.499 -32.292 1.00 0.00 WAT +ATOM 14156 OH2 TIP3 2616 23.490 -4.681 -29.236 1.00 0.00 WAT +ATOM 14157 H1 TIP3 2616 23.998 -5.204 -28.587 1.00 0.00 WAT +ATOM 14158 H2 TIP3 2616 22.576 -4.996 -29.104 1.00 0.00 WAT +ATOM 14159 OH2 TIP3 2617 26.625 -0.851 -28.719 1.00 0.00 WAT +ATOM 14160 H1 TIP3 2617 26.015 -1.018 -27.977 1.00 0.00 WAT +ATOM 14161 H2 TIP3 2617 26.543 0.106 -28.866 1.00 0.00 WAT +ATOM 14162 OH2 TIP3 2618 28.476 3.835 -42.512 1.00 0.00 WAT +ATOM 14163 H1 TIP3 2618 27.942 3.661 -43.304 1.00 0.00 WAT +ATOM 14164 H2 TIP3 2618 28.737 4.747 -42.697 1.00 0.00 WAT +ATOM 14165 OH2 TIP3 2619 23.291 -2.255 -42.160 1.00 0.00 WAT +ATOM 14166 H1 TIP3 2619 22.733 -2.221 -41.373 1.00 0.00 WAT +ATOM 14167 H2 TIP3 2619 22.847 -2.942 -42.673 1.00 0.00 WAT +ATOM 14168 OH2 TIP3 2620 18.951 0.559 -31.486 1.00 0.00 WAT +ATOM 14169 H1 TIP3 2620 18.383 0.671 -30.706 1.00 0.00 WAT +ATOM 14170 H2 TIP3 2620 19.018 1.474 -31.833 1.00 0.00 WAT +ATOM 14171 OH2 TIP3 2621 18.897 0.639 -36.604 1.00 0.00 WAT +ATOM 14172 H1 TIP3 2621 17.941 0.536 -36.769 1.00 0.00 WAT +ATOM 14173 H2 TIP3 2621 19.249 0.443 -37.497 1.00 0.00 WAT +ATOM 14174 OH2 TIP3 2622 24.577 1.185 -37.852 1.00 0.00 WAT +ATOM 14175 H1 TIP3 2622 24.167 2.008 -38.193 1.00 0.00 WAT +ATOM 14176 H2 TIP3 2622 25.209 0.977 -38.563 1.00 0.00 WAT +ATOM 14177 OH2 TIP3 2623 23.686 1.414 -26.457 1.00 0.00 WAT +ATOM 14178 H1 TIP3 2623 23.182 0.651 -26.106 1.00 0.00 WAT +ATOM 14179 H2 TIP3 2623 24.563 1.269 -26.053 1.00 0.00 WAT +ATOM 14180 OH2 TIP3 2624 25.359 0.591 -35.057 1.00 0.00 WAT +ATOM 14181 H1 TIP3 2624 25.081 1.158 -35.803 1.00 0.00 WAT +ATOM 14182 H2 TIP3 2624 25.575 -0.224 -35.554 1.00 0.00 WAT +ATOM 14183 OH2 TIP3 2625 16.275 0.739 -29.633 1.00 0.00 WAT +ATOM 14184 H1 TIP3 2625 16.597 1.003 -28.762 1.00 0.00 WAT +ATOM 14185 H2 TIP3 2625 15.948 -0.160 -29.450 1.00 0.00 WAT +ATOM 14186 OH2 TIP3 2626 20.024 -1.885 -43.139 1.00 0.00 WAT +ATOM 14187 H1 TIP3 2626 19.664 -2.136 -42.267 1.00 0.00 WAT +ATOM 14188 H2 TIP3 2626 19.284 -1.354 -43.490 1.00 0.00 WAT +ATOM 14189 OH2 TIP3 2627 13.135 -1.810 -36.000 1.00 0.00 WAT +ATOM 14190 H1 TIP3 2627 13.759 -1.840 -35.252 1.00 0.00 WAT +ATOM 14191 H2 TIP3 2627 13.639 -2.190 -36.736 1.00 0.00 WAT +ATOM 14192 OH2 TIP3 2628 14.720 -1.371 -40.372 1.00 0.00 WAT +ATOM 14193 H1 TIP3 2628 15.271 -0.891 -41.024 1.00 0.00 WAT +ATOM 14194 H2 TIP3 2628 14.040 -0.704 -40.177 1.00 0.00 WAT +ATOM 14195 OH2 TIP3 2629 24.468 2.273 -30.572 1.00 0.00 WAT +ATOM 14196 H1 TIP3 2629 24.897 1.551 -31.087 1.00 0.00 WAT +ATOM 14197 H2 TIP3 2629 24.113 1.779 -29.818 1.00 0.00 WAT +ATOM 14198 OH2 TIP3 2630 21.664 -1.776 -35.570 1.00 0.00 WAT +ATOM 14199 H1 TIP3 2630 20.720 -1.815 -35.345 1.00 0.00 WAT +ATOM 14200 H2 TIP3 2630 22.078 -1.973 -34.712 1.00 0.00 WAT +ATOM 14201 OH2 TIP3 2631 16.228 -0.557 -36.890 1.00 0.00 WAT +ATOM 14202 H1 TIP3 2631 15.416 -0.285 -37.355 1.00 0.00 WAT +ATOM 14203 H2 TIP3 2631 16.524 -1.338 -37.394 1.00 0.00 WAT +ATOM 14204 OH2 TIP3 2632 19.838 -0.139 -39.207 1.00 0.00 WAT +ATOM 14205 H1 TIP3 2632 20.810 -0.103 -39.173 1.00 0.00 WAT +ATOM 14206 H2 TIP3 2632 19.608 0.407 -39.981 1.00 0.00 WAT +ATOM 14207 OH2 TIP3 2633 26.054 -2.633 -32.547 1.00 0.00 WAT +ATOM 14208 H1 TIP3 2633 25.410 -2.631 -31.804 1.00 0.00 WAT +ATOM 14209 H2 TIP3 2633 25.482 -2.968 -33.258 1.00 0.00 WAT +ATOM 14210 OH2 TIP3 2634 18.447 0.962 -41.566 1.00 0.00 WAT +ATOM 14211 H1 TIP3 2634 17.803 0.499 -42.128 1.00 0.00 WAT +ATOM 14212 H2 TIP3 2634 19.158 1.178 -42.186 1.00 0.00 WAT +ATOM 14213 OH2 TIP3 2635 29.041 13.170 -25.883 1.00 0.00 WAT +ATOM 14214 H1 TIP3 2635 29.287 13.589 -26.725 1.00 0.00 WAT +ATOM 14215 H2 TIP3 2635 29.771 13.440 -25.301 1.00 0.00 WAT +ATOM 14216 OH2 TIP3 2636 16.979 5.806 -26.456 1.00 0.00 WAT +ATOM 14217 H1 TIP3 2636 17.637 5.856 -25.736 1.00 0.00 WAT +ATOM 14218 H2 TIP3 2636 16.163 5.701 -25.929 1.00 0.00 WAT +ATOM 14219 OH2 TIP3 2637 22.683 0.773 -33.742 1.00 0.00 WAT +ATOM 14220 H1 TIP3 2637 23.411 0.335 -34.207 1.00 0.00 WAT +ATOM 14221 H2 TIP3 2637 22.517 0.158 -32.999 1.00 0.00 WAT +ATOM 14222 OH2 TIP3 2638 17.994 -2.810 -37.617 1.00 0.00 WAT +ATOM 14223 H1 TIP3 2638 17.441 -3.595 -37.470 1.00 0.00 WAT +ATOM 14224 H2 TIP3 2638 18.815 -3.192 -37.957 1.00 0.00 WAT +ATOM 14225 OH2 TIP3 2639 21.656 -0.765 -31.511 1.00 0.00 WAT +ATOM 14226 H1 TIP3 2639 20.875 -0.189 -31.480 1.00 0.00 WAT +ATOM 14227 H2 TIP3 2639 22.142 -0.524 -30.696 1.00 0.00 WAT +ATOM 14228 OH2 TIP3 2640 21.793 5.625 -39.606 1.00 0.00 WAT +ATOM 14229 H1 TIP3 2640 21.035 5.118 -39.966 1.00 0.00 WAT +ATOM 14230 H2 TIP3 2640 21.596 5.651 -38.642 1.00 0.00 WAT +ATOM 14231 OH2 TIP3 2641 29.013 4.786 -30.863 1.00 0.00 WAT +ATOM 14232 H1 TIP3 2641 29.506 5.321 -31.522 1.00 0.00 WAT +ATOM 14233 H2 TIP3 2641 28.158 4.659 -31.321 1.00 0.00 WAT +ATOM 14234 OH2 TIP3 2642 25.939 -1.614 -41.807 1.00 0.00 WAT +ATOM 14235 H1 TIP3 2642 24.962 -1.623 -41.859 1.00 0.00 WAT +ATOM 14236 H2 TIP3 2642 26.148 -0.840 -41.251 1.00 0.00 WAT +ATOM 14237 OH2 TIP3 2643 23.452 5.639 -28.286 1.00 0.00 WAT +ATOM 14238 H1 TIP3 2643 23.143 5.285 -27.440 1.00 0.00 WAT +ATOM 14239 H2 TIP3 2643 23.118 6.548 -28.275 1.00 0.00 WAT +ATOM 14240 OH2 TIP3 2644 26.554 0.250 -39.859 1.00 0.00 WAT +ATOM 14241 H1 TIP3 2644 27.427 0.061 -39.463 1.00 0.00 WAT +ATOM 14242 H2 TIP3 2644 26.706 1.106 -40.299 1.00 0.00 WAT +ATOM 14243 OH2 TIP3 2645 16.947 5.021 -33.777 1.00 0.00 WAT +ATOM 14244 H1 TIP3 2645 17.486 4.898 -34.577 1.00 0.00 WAT +ATOM 14245 H2 TIP3 2645 17.029 4.154 -33.348 1.00 0.00 WAT +ATOM 14246 OH2 TIP3 2646 24.231 6.957 -40.675 1.00 0.00 WAT +ATOM 14247 H1 TIP3 2646 23.941 7.841 -40.369 1.00 0.00 WAT +ATOM 14248 H2 TIP3 2646 23.455 6.423 -40.424 1.00 0.00 WAT +ATOM 14249 OH2 TIP3 2647 14.212 3.281 -28.478 1.00 0.00 WAT +ATOM 14250 H1 TIP3 2647 14.331 2.830 -27.618 1.00 0.00 WAT +ATOM 14251 H2 TIP3 2647 13.597 2.691 -28.943 1.00 0.00 WAT +ATOM 14252 OH2 TIP3 2648 21.181 2.835 -26.570 1.00 0.00 WAT +ATOM 14253 H1 TIP3 2648 20.830 2.536 -27.426 1.00 0.00 WAT +ATOM 14254 H2 TIP3 2648 22.093 2.495 -26.622 1.00 0.00 WAT +ATOM 14255 OH2 TIP3 2649 25.706 8.262 -28.824 1.00 0.00 WAT +ATOM 14256 H1 TIP3 2649 24.737 8.291 -28.882 1.00 0.00 WAT +ATOM 14257 H2 TIP3 2649 25.856 8.463 -27.887 1.00 0.00 WAT +ATOM 14258 OH2 TIP3 2650 31.288 0.330 -39.985 1.00 0.00 WAT +ATOM 14259 H1 TIP3 2650 30.657 0.130 -40.708 1.00 0.00 WAT +ATOM 14260 H2 TIP3 2650 31.388 1.280 -40.171 1.00 0.00 WAT +ATOM 14261 OH2 TIP3 2651 31.683 6.333 -27.243 1.00 0.00 WAT +ATOM 14262 H1 TIP3 2651 30.740 6.528 -27.431 1.00 0.00 WAT +ATOM 14263 H2 TIP3 2651 32.007 6.123 -28.141 1.00 0.00 WAT +ATOM 14264 OH2 TIP3 2652 29.567 8.886 -39.900 1.00 0.00 WAT +ATOM 14265 H1 TIP3 2652 29.185 8.145 -39.406 1.00 0.00 WAT +ATOM 14266 H2 TIP3 2652 29.804 8.473 -40.742 1.00 0.00 WAT +ATOM 14267 OH2 TIP3 2653 26.671 4.215 -32.567 1.00 0.00 WAT +ATOM 14268 H1 TIP3 2653 25.739 4.051 -32.804 1.00 0.00 WAT +ATOM 14269 H2 TIP3 2653 27.109 3.488 -33.053 1.00 0.00 WAT +ATOM 14270 OH2 TIP3 2654 19.298 8.297 -36.494 1.00 0.00 WAT +ATOM 14271 H1 TIP3 2654 19.729 9.150 -36.663 1.00 0.00 WAT +ATOM 14272 H2 TIP3 2654 18.393 8.469 -36.783 1.00 0.00 WAT +ATOM 14273 OH2 TIP3 2655 15.389 3.177 -41.977 1.00 0.00 WAT +ATOM 14274 H1 TIP3 2655 15.939 3.849 -41.534 1.00 0.00 WAT +ATOM 14275 H2 TIP3 2655 14.490 3.416 -41.682 1.00 0.00 WAT +ATOM 14276 OH2 TIP3 2656 21.145 5.985 -36.883 1.00 0.00 WAT +ATOM 14277 H1 TIP3 2656 20.829 6.893 -36.754 1.00 0.00 WAT +ATOM 14278 H2 TIP3 2656 20.431 5.475 -36.471 1.00 0.00 WAT +ATOM 14279 OH2 TIP3 2657 21.299 10.250 -30.540 1.00 0.00 WAT +ATOM 14280 H1 TIP3 2657 21.866 10.985 -30.830 1.00 0.00 WAT +ATOM 14281 H2 TIP3 2657 21.918 9.738 -29.995 1.00 0.00 WAT +ATOM 14282 OH2 TIP3 2658 19.750 11.186 -37.312 1.00 0.00 WAT +ATOM 14283 H1 TIP3 2658 18.792 11.330 -37.252 1.00 0.00 WAT +ATOM 14284 H2 TIP3 2658 20.096 12.067 -37.080 1.00 0.00 WAT +ATOM 14285 OH2 TIP3 2659 24.722 6.004 -30.973 1.00 0.00 WAT +ATOM 14286 H1 TIP3 2659 24.424 5.702 -30.096 1.00 0.00 WAT +ATOM 14287 H2 TIP3 2659 25.441 5.378 -31.165 1.00 0.00 WAT +ATOM 14288 OH2 TIP3 2660 26.863 7.202 -41.921 1.00 0.00 WAT +ATOM 14289 H1 TIP3 2660 27.327 6.757 -41.188 1.00 0.00 WAT +ATOM 14290 H2 TIP3 2660 25.952 7.161 -41.588 1.00 0.00 WAT +ATOM 14291 OH2 TIP3 2661 27.655 10.567 -28.582 1.00 0.00 WAT +ATOM 14292 H1 TIP3 2661 26.905 10.091 -28.990 1.00 0.00 WAT +ATOM 14293 H2 TIP3 2661 27.744 11.349 -29.157 1.00 0.00 WAT +ATOM 14294 OH2 TIP3 2662 31.785 11.739 -41.589 1.00 0.00 WAT +ATOM 14295 H1 TIP3 2662 32.457 12.438 -41.444 1.00 0.00 WAT +ATOM 14296 H2 TIP3 2662 30.965 12.219 -41.356 1.00 0.00 WAT +ATOM 14297 OH2 TIP3 2663 15.514 -2.070 -28.932 1.00 0.00 WAT +ATOM 14298 H1 TIP3 2663 14.595 -1.818 -29.141 1.00 0.00 WAT +ATOM 14299 H2 TIP3 2663 15.385 -2.914 -28.461 1.00 0.00 WAT +ATOM 14300 OH2 TIP3 2664 27.865 5.896 -39.655 1.00 0.00 WAT +ATOM 14301 H1 TIP3 2664 27.584 5.178 -39.058 1.00 0.00 WAT +ATOM 14302 H2 TIP3 2664 28.835 5.839 -39.586 1.00 0.00 WAT +ATOM 14303 OH2 TIP3 2665 15.252 9.693 -30.494 1.00 0.00 WAT +ATOM 14304 H1 TIP3 2665 15.553 8.780 -30.364 1.00 0.00 WAT +ATOM 14305 H2 TIP3 2665 15.513 10.079 -29.649 1.00 0.00 WAT +ATOM 14306 OH2 TIP3 2666 21.396 8.331 -43.207 1.00 0.00 WAT +ATOM 14307 H1 TIP3 2666 21.719 7.489 -43.573 1.00 0.00 WAT +ATOM 14308 H2 TIP3 2666 20.761 8.000 -42.547 1.00 0.00 WAT +ATOM 14309 OH2 TIP3 2667 19.859 7.868 -40.684 1.00 0.00 WAT +ATOM 14310 H1 TIP3 2667 20.453 7.322 -40.149 1.00 0.00 WAT +ATOM 14311 H2 TIP3 2667 20.143 8.777 -40.473 1.00 0.00 WAT +ATOM 14312 OH2 TIP3 2668 16.792 5.220 -40.346 1.00 0.00 WAT +ATOM 14313 H1 TIP3 2668 16.045 5.656 -39.891 1.00 0.00 WAT +ATOM 14314 H2 TIP3 2668 17.268 5.987 -40.706 1.00 0.00 WAT +ATOM 14315 OH2 TIP3 2669 24.473 -2.239 -30.352 1.00 0.00 WAT +ATOM 14316 H1 TIP3 2669 25.088 -1.972 -29.654 1.00 0.00 WAT +ATOM 14317 H2 TIP3 2669 23.988 -2.981 -29.939 1.00 0.00 WAT +ATOM 14318 OH2 TIP3 2670 25.055 -2.678 -39.209 1.00 0.00 WAT +ATOM 14319 H1 TIP3 2670 25.372 -2.207 -39.999 1.00 0.00 WAT +ATOM 14320 H2 TIP3 2670 25.586 -2.273 -38.507 1.00 0.00 WAT +ATOM 14321 OH2 TIP3 2671 22.910 9.475 -40.220 1.00 0.00 WAT +ATOM 14322 H1 TIP3 2671 22.099 9.981 -40.057 1.00 0.00 WAT +ATOM 14323 H2 TIP3 2671 23.365 10.042 -40.857 1.00 0.00 WAT +ATOM 14324 OH2 TIP3 2672 22.508 -0.767 -38.152 1.00 0.00 WAT +ATOM 14325 H1 TIP3 2672 23.299 -0.209 -38.012 1.00 0.00 WAT +ATOM 14326 H2 TIP3 2672 22.224 -0.942 -37.235 1.00 0.00 WAT +ATOM 14327 OH2 TIP3 2673 22.914 0.132 -29.003 1.00 0.00 WAT +ATOM 14328 H1 TIP3 2673 22.938 0.632 -28.170 1.00 0.00 WAT +ATOM 14329 H2 TIP3 2673 23.415 -0.660 -28.764 1.00 0.00 WAT +ATOM 14330 OH2 TIP3 2674 23.142 -3.755 -37.244 1.00 0.00 WAT +ATOM 14331 H1 TIP3 2674 22.947 -3.071 -36.576 1.00 0.00 WAT +ATOM 14332 H2 TIP3 2674 23.858 -3.321 -37.751 1.00 0.00 WAT +ATOM 14333 OH2 TIP3 2675 20.102 10.654 -40.246 1.00 0.00 WAT +ATOM 14334 H1 TIP3 2675 20.107 11.506 -40.724 1.00 0.00 WAT +ATOM 14335 H2 TIP3 2675 19.965 10.931 -39.324 1.00 0.00 WAT +ATOM 14336 OH2 TIP3 2676 18.857 -2.692 -40.793 1.00 0.00 WAT +ATOM 14337 H1 TIP3 2676 18.785 -1.976 -40.141 1.00 0.00 WAT +ATOM 14338 H2 TIP3 2676 19.612 -3.198 -40.441 1.00 0.00 WAT +ATOM 14339 OH2 TIP3 2677 29.165 -1.872 -28.115 1.00 0.00 WAT +ATOM 14340 H1 TIP3 2677 28.204 -1.749 -28.252 1.00 0.00 WAT +ATOM 14341 H2 TIP3 2677 29.406 -2.106 -29.024 1.00 0.00 WAT +ATOM 14342 OH2 TIP3 2678 27.672 1.970 -34.086 1.00 0.00 WAT +ATOM 14343 H1 TIP3 2678 26.853 1.514 -34.354 1.00 0.00 WAT +ATOM 14344 H2 TIP3 2678 28.157 1.256 -33.615 1.00 0.00 WAT +ATOM 14345 OH2 TIP3 2679 17.186 8.228 -41.570 1.00 0.00 WAT +ATOM 14346 H1 TIP3 2679 18.038 8.429 -41.143 1.00 0.00 WAT +ATOM 14347 H2 TIP3 2679 17.506 7.710 -42.329 1.00 0.00 WAT +ATOM 14348 OH2 TIP3 2680 15.436 0.369 -42.505 1.00 0.00 WAT +ATOM 14349 H1 TIP3 2680 15.578 1.329 -42.378 1.00 0.00 WAT +ATOM 14350 H2 TIP3 2680 14.549 0.361 -42.907 1.00 0.00 WAT +ATOM 14351 OH2 TIP3 2681 28.687 10.830 -32.696 1.00 0.00 WAT +ATOM 14352 H1 TIP3 2681 28.525 11.649 -33.202 1.00 0.00 WAT +ATOM 14353 H2 TIP3 2681 29.613 10.960 -32.443 1.00 0.00 WAT +ATOM 14354 OH2 TIP3 2682 16.313 -4.671 -33.706 1.00 0.00 WAT +ATOM 14355 H1 TIP3 2682 16.124 -4.689 -34.667 1.00 0.00 WAT +ATOM 14356 H2 TIP3 2682 15.962 -5.529 -33.402 1.00 0.00 WAT +ATOM 14357 OH2 TIP3 2683 15.226 8.920 -37.414 1.00 0.00 WAT +ATOM 14358 H1 TIP3 2683 14.378 9.367 -37.302 1.00 0.00 WAT +ATOM 14359 H2 TIP3 2683 15.572 9.335 -38.217 1.00 0.00 WAT +ATOM 14360 OH2 TIP3 2684 14.577 11.735 -26.276 1.00 0.00 WAT +ATOM 14361 H1 TIP3 2684 15.157 11.464 -25.536 1.00 0.00 WAT +ATOM 14362 H2 TIP3 2684 14.210 10.873 -26.552 1.00 0.00 WAT +ATOM 14363 OH2 TIP3 2685 19.259 10.734 -24.457 1.00 0.00 WAT +ATOM 14364 H1 TIP3 2685 20.013 10.138 -24.334 1.00 0.00 WAT +ATOM 14365 H2 TIP3 2685 19.031 10.545 -25.383 1.00 0.00 WAT +ATOM 14366 OH2 TIP3 2686 23.522 10.118 -43.131 1.00 0.00 WAT +ATOM 14367 H1 TIP3 2686 22.709 9.577 -43.216 1.00 0.00 WAT +ATOM 14368 H2 TIP3 2686 24.155 9.519 -43.557 1.00 0.00 WAT +ATOM 14369 OH2 TIP3 2687 25.750 9.080 -25.900 1.00 0.00 WAT +ATOM 14370 H1 TIP3 2687 25.386 8.247 -25.553 1.00 0.00 WAT +ATOM 14371 H2 TIP3 2687 26.463 9.276 -25.267 1.00 0.00 WAT +ATOM 14372 OH2 TIP3 2688 27.447 9.785 -42.854 1.00 0.00 WAT +ATOM 14373 H1 TIP3 2688 27.803 9.007 -42.401 1.00 0.00 WAT +ATOM 14374 H2 TIP3 2688 28.236 10.283 -43.163 1.00 0.00 WAT +ATOM 14375 OH2 TIP3 2689 14.579 5.378 -25.157 1.00 0.00 WAT +ATOM 14376 H1 TIP3 2689 14.680 4.439 -25.411 1.00 0.00 WAT +ATOM 14377 H2 TIP3 2689 13.825 5.646 -25.717 1.00 0.00 WAT +ATOM 14378 OH2 TIP3 2690 18.783 5.929 -42.979 1.00 0.00 WAT +ATOM 14379 H1 TIP3 2690 19.018 5.179 -42.421 1.00 0.00 WAT +ATOM 14380 H2 TIP3 2690 19.379 5.848 -43.743 1.00 0.00 WAT +ATOM 14381 OH2 TIP3 2691 21.143 5.562 -25.809 1.00 0.00 WAT +ATOM 14382 H1 TIP3 2691 20.878 5.864 -26.693 1.00 0.00 WAT +ATOM 14383 H2 TIP3 2691 21.262 4.597 -25.949 1.00 0.00 WAT +ATOM 14384 OH2 TIP3 2692 24.144 6.954 -43.493 1.00 0.00 WAT +ATOM 14385 H1 TIP3 2692 24.268 7.087 -42.537 1.00 0.00 WAT +ATOM 14386 H2 TIP3 2692 24.772 6.249 -43.698 1.00 0.00 WAT +ATOM 14387 OH2 TIP3 2693 26.554 5.168 -28.431 1.00 0.00 WAT +ATOM 14388 H1 TIP3 2693 27.333 5.706 -28.636 1.00 0.00 WAT +ATOM 14389 H2 TIP3 2693 25.848 5.833 -28.458 1.00 0.00 WAT +ATOM 14390 OH2 TIP3 2694 15.394 2.559 -25.866 1.00 0.00 WAT +ATOM 14391 H1 TIP3 2694 16.071 1.859 -25.879 1.00 0.00 WAT +ATOM 14392 H2 TIP3 2694 15.204 2.571 -24.911 1.00 0.00 WAT +ATOM 14393 OH2 TIP3 2695 19.872 3.854 -40.865 1.00 0.00 WAT +ATOM 14394 H1 TIP3 2695 19.234 3.383 -40.309 1.00 0.00 WAT +ATOM 14395 H2 TIP3 2695 20.195 3.141 -41.447 1.00 0.00 WAT +ATOM 14396 OH2 TIP3 2696 19.050 1.621 -28.575 1.00 0.00 WAT +ATOM 14397 H1 TIP3 2696 18.540 2.420 -28.352 1.00 0.00 WAT +ATOM 14398 H2 TIP3 2696 19.723 1.976 -29.182 1.00 0.00 WAT +ATOM 14399 OH2 TIP3 2697 21.032 1.957 -42.733 1.00 0.00 WAT +ATOM 14400 H1 TIP3 2697 21.042 1.755 -43.681 1.00 0.00 WAT +ATOM 14401 H2 TIP3 2697 21.990 1.940 -42.527 1.00 0.00 WAT +ATOM 14402 OH2 TIP3 2698 24.383 4.344 -24.988 1.00 0.00 WAT +ATOM 14403 H1 TIP3 2698 25.272 4.129 -25.309 1.00 0.00 WAT +ATOM 14404 H2 TIP3 2698 24.115 3.497 -24.600 1.00 0.00 WAT +ATOM 14405 OH2 TIP3 2699 19.663 -1.044 -27.409 1.00 0.00 WAT +ATOM 14406 H1 TIP3 2699 19.710 -1.726 -28.102 1.00 0.00 WAT +ATOM 14407 H2 TIP3 2699 19.440 -0.251 -27.926 1.00 0.00 WAT +ATOM 14408 OH2 TIP3 2700 19.997 -2.611 -29.964 1.00 0.00 WAT +ATOM 14409 H1 TIP3 2700 20.511 -2.088 -30.608 1.00 0.00 WAT +ATOM 14410 H2 TIP3 2700 19.086 -2.580 -30.322 1.00 0.00 WAT +ATOM 14411 OH2 TIP3 2701 21.540 2.835 -29.567 1.00 0.00 WAT +ATOM 14412 H1 TIP3 2701 22.377 2.740 -30.043 1.00 0.00 WAT +ATOM 14413 H2 TIP3 2701 21.239 3.711 -29.879 1.00 0.00 WAT +ATOM 14414 OH2 TIP3 2702 26.134 0.767 -24.803 1.00 0.00 WAT +ATOM 14415 H1 TIP3 2702 26.325 -0.166 -24.618 1.00 0.00 WAT +ATOM 14416 H2 TIP3 2702 27.027 1.142 -24.832 1.00 0.00 WAT +ATOM 14417 OH2 TIP3 2703 27.092 3.570 -26.283 1.00 0.00 WAT +ATOM 14418 H1 TIP3 2703 26.751 4.170 -26.979 1.00 0.00 WAT +ATOM 14419 H2 TIP3 2703 27.977 3.381 -26.652 1.00 0.00 WAT +ATOM 14420 OH2 TIP3 2704 17.885 0.763 -25.596 1.00 0.00 WAT +ATOM 14421 H1 TIP3 2704 17.315 -0.027 -25.541 1.00 0.00 WAT +ATOM 14422 H2 TIP3 2704 18.665 0.418 -26.051 1.00 0.00 WAT +ATOM 14423 OH2 TIP3 2705 20.737 -5.276 -29.622 1.00 0.00 WAT +ATOM 14424 H1 TIP3 2705 20.554 -4.323 -29.770 1.00 0.00 WAT +ATOM 14425 H2 TIP3 2705 20.028 -5.691 -30.148 1.00 0.00 WAT +ATOM 14426 OH2 TIP3 2706 21.965 -0.678 -25.814 1.00 0.00 WAT +ATOM 14427 H1 TIP3 2706 21.659 -0.970 -24.937 1.00 0.00 WAT +ATOM 14428 H2 TIP3 2706 21.172 -0.903 -26.346 1.00 0.00 WAT +ATOM 14429 OH2 TIP3 2707 24.514 -1.661 -26.961 1.00 0.00 WAT +ATOM 14430 H1 TIP3 2707 23.632 -1.624 -26.548 1.00 0.00 WAT +ATOM 14431 H2 TIP3 2707 24.977 -2.291 -26.375 1.00 0.00 WAT +ATOM 14432 OH2 TIP3 2708 26.396 -3.180 -25.230 1.00 0.00 WAT +ATOM 14433 H1 TIP3 2708 26.227 -4.132 -25.085 1.00 0.00 WAT +ATOM 14434 H2 TIP3 2708 26.185 -2.780 -24.366 1.00 0.00 WAT +ATOM 14435 OH2 TIP3 2709 16.502 -1.769 -25.760 1.00 0.00 WAT +ATOM 14436 H1 TIP3 2709 16.439 -2.517 -26.373 1.00 0.00 WAT +ATOM 14437 H2 TIP3 2709 16.302 -2.191 -24.904 1.00 0.00 WAT +ATOM 14438 OH2 TIP3 2710 20.550 -5.796 -26.799 1.00 0.00 WAT +ATOM 14439 H1 TIP3 2710 21.146 -6.560 -26.736 1.00 0.00 WAT +ATOM 14440 H2 TIP3 2710 20.540 -5.643 -27.763 1.00 0.00 WAT +ATOM 14441 OH2 TIP3 2711 21.544 -3.899 -25.003 1.00 0.00 WAT +ATOM 14442 H1 TIP3 2711 21.173 -4.505 -25.676 1.00 0.00 WAT +ATOM 14443 H2 TIP3 2711 20.823 -3.257 -24.873 1.00 0.00 WAT +ATOM 14444 OH2 TIP3 2712 20.628 13.208 -41.682 1.00 0.00 WAT +ATOM 14445 H1 TIP3 2712 21.597 13.229 -41.666 1.00 0.00 WAT +ATOM 14446 H2 TIP3 2712 20.414 13.683 -42.502 1.00 0.00 WAT +ATOM 14447 OH2 TIP3 2713 14.508 7.140 -41.934 1.00 0.00 WAT +ATOM 14448 H1 TIP3 2713 15.395 7.540 -41.996 1.00 0.00 WAT +ATOM 14449 H2 TIP3 2713 14.441 6.658 -42.771 1.00 0.00 WAT +ATOM 14450 OH2 TIP3 2714 13.470 12.725 -37.174 1.00 0.00 WAT +ATOM 14451 H1 TIP3 2714 12.788 12.334 -37.758 1.00 0.00 WAT +ATOM 14452 H2 TIP3 2714 13.568 12.023 -36.498 1.00 0.00 WAT +ATOM 14453 OH2 TIP3 2715 13.842 10.750 -35.187 1.00 0.00 WAT +ATOM 14454 H1 TIP3 2715 13.582 9.856 -34.910 1.00 0.00 WAT +ATOM 14455 H2 TIP3 2715 14.234 11.065 -34.358 1.00 0.00 WAT +ATOM 14456 OH2 TIP3 2716 31.415 12.016 -32.194 1.00 0.00 WAT +ATOM 14457 H1 TIP3 2716 31.572 11.956 -31.239 1.00 0.00 WAT +ATOM 14458 H2 TIP3 2716 32.285 12.280 -32.520 1.00 0.00 WAT +ATOM 14459 OH2 TIP3 2717 31.315 11.435 -29.321 1.00 0.00 WAT +ATOM 14460 H1 TIP3 2717 30.789 10.690 -29.672 1.00 0.00 WAT +ATOM 14461 H2 TIP3 2717 31.859 10.962 -28.672 1.00 0.00 WAT +ATOM 14462 OH2 TIP3 2718 29.310 6.876 -25.043 1.00 0.00 WAT +ATOM 14463 H1 TIP3 2718 28.432 6.925 -24.628 1.00 0.00 WAT +ATOM 14464 H2 TIP3 2718 29.761 7.666 -24.702 1.00 0.00 WAT +ATOM 14465 OH2 TIP3 2719 30.717 5.700 -39.297 1.00 0.00 WAT +ATOM 14466 H1 TIP3 2719 31.616 6.031 -39.129 1.00 0.00 WAT +ATOM 14467 H2 TIP3 2719 30.636 5.053 -38.571 1.00 0.00 WAT +ATOM 14468 OH2 TIP3 2720 31.168 3.712 -37.312 1.00 0.00 WAT +ATOM 14469 H1 TIP3 2720 30.490 3.152 -36.883 1.00 0.00 WAT +ATOM 14470 H2 TIP3 2720 31.843 3.825 -36.616 1.00 0.00 WAT +ATOM 14471 OH2 TIP3 2721 30.896 6.227 -32.334 1.00 0.00 WAT +ATOM 14472 H1 TIP3 2721 31.507 5.722 -32.893 1.00 0.00 WAT +ATOM 14473 H2 TIP3 2721 31.025 7.134 -32.657 1.00 0.00 WAT +ATOM 14474 OH2 TIP3 2722 29.616 9.160 -30.109 1.00 0.00 WAT +ATOM 14475 H1 TIP3 2722 28.877 9.531 -29.596 1.00 0.00 WAT +ATOM 14476 H2 TIP3 2722 29.154 8.775 -30.881 1.00 0.00 WAT +ATOM 14477 OH2 TIP3 2723 31.482 3.408 -41.089 1.00 0.00 WAT +ATOM 14478 H1 TIP3 2723 30.806 3.620 -41.753 1.00 0.00 WAT +ATOM 14479 H2 TIP3 2723 31.246 4.048 -40.399 1.00 0.00 WAT +ATOM 14480 OH2 TIP3 2724 29.694 0.783 -42.101 1.00 0.00 WAT +ATOM 14481 H1 TIP3 2724 29.923 1.478 -42.736 1.00 0.00 WAT +ATOM 14482 H2 TIP3 2724 29.931 -0.016 -42.583 1.00 0.00 WAT +ATOM 14483 OH2 TIP3 2725 29.107 1.854 -36.497 1.00 0.00 WAT +ATOM 14484 H1 TIP3 2725 29.023 0.902 -36.669 1.00 0.00 WAT +ATOM 14485 H2 TIP3 2725 28.715 1.939 -35.605 1.00 0.00 WAT +ATOM 14486 OH2 TIP3 2726 13.948 4.091 -32.802 1.00 0.00 WAT +ATOM 14487 H1 TIP3 2726 14.200 4.114 -33.741 1.00 0.00 WAT +ATOM 14488 H2 TIP3 2726 14.808 3.853 -32.396 1.00 0.00 WAT +ATOM 14489 OH2 TIP3 2727 29.706 3.790 -27.370 1.00 0.00 WAT +ATOM 14490 H1 TIP3 2727 30.428 3.157 -27.195 1.00 0.00 WAT +ATOM 14491 H2 TIP3 2727 30.183 4.614 -27.533 1.00 0.00 WAT +ATOM 14492 OH2 TIP3 2728 31.266 1.893 -26.149 1.00 0.00 WAT +ATOM 14493 H1 TIP3 2728 30.473 1.357 -26.369 1.00 0.00 WAT +ATOM 14494 H2 TIP3 2728 31.965 1.212 -26.167 1.00 0.00 WAT +ATOM 14495 OH2 TIP3 2729 28.881 -2.197 -43.202 1.00 0.00 WAT +ATOM 14496 H1 TIP3 2729 29.489 -2.702 -42.650 1.00 0.00 WAT +ATOM 14497 H2 TIP3 2729 28.085 -2.764 -43.228 1.00 0.00 WAT +ATOM 14498 OH2 TIP3 2730 28.903 -0.607 -38.350 1.00 0.00 WAT +ATOM 14499 H1 TIP3 2730 29.153 -1.556 -38.285 1.00 0.00 WAT +ATOM 14500 H2 TIP3 2730 29.716 -0.239 -38.733 1.00 0.00 WAT +ATOM 14501 OH2 TIP3 2731 29.203 -0.019 -32.889 1.00 0.00 WAT +ATOM 14502 H1 TIP3 2731 30.179 0.051 -32.911 1.00 0.00 WAT +ATOM 14503 H2 TIP3 2731 29.057 -0.024 -31.927 1.00 0.00 WAT +ATOM 14504 OH2 TIP3 2732 29.372 0.656 -30.066 1.00 0.00 WAT +ATOM 14505 H1 TIP3 2732 28.513 1.035 -29.800 1.00 0.00 WAT +ATOM 14506 H2 TIP3 2732 29.889 1.455 -30.277 1.00 0.00 WAT +ATOM 14507 OH2 TIP3 2733 13.876 -0.556 -26.433 1.00 0.00 WAT +ATOM 14508 H1 TIP3 2733 14.810 -0.797 -26.284 1.00 0.00 WAT +ATOM 14509 H2 TIP3 2733 13.439 -1.417 -26.314 1.00 0.00 WAT +ATOM 14510 OH2 TIP3 2734 31.976 -5.166 -24.759 1.00 0.00 WAT +ATOM 14511 H1 TIP3 2734 32.324 -5.859 -25.347 1.00 0.00 WAT +ATOM 14512 H2 TIP3 2734 31.959 -4.386 -25.347 1.00 0.00 WAT +ATOM 14513 OH2 TIP3 2735 29.409 -3.361 -38.307 1.00 0.00 WAT +ATOM 14514 H1 TIP3 2735 29.575 -3.747 -37.427 1.00 0.00 WAT +ATOM 14515 H2 TIP3 2735 28.663 -3.911 -38.620 1.00 0.00 WAT +ATOM 14516 OH2 TIP3 2736 14.631 -2.236 -33.593 1.00 0.00 WAT +ATOM 14517 H1 TIP3 2736 15.085 -3.093 -33.515 1.00 0.00 WAT +ATOM 14518 H2 TIP3 2736 15.318 -1.636 -33.246 1.00 0.00 WAT +ATOM 14519 OH2 TIP3 2737 13.167 0.444 -32.554 1.00 0.00 WAT +ATOM 14520 H1 TIP3 2737 13.750 0.381 -33.328 1.00 0.00 WAT +ATOM 14521 H2 TIP3 2737 13.554 1.198 -32.093 1.00 0.00 WAT +ATOM 14522 OH2 TIP3 2738 31.292 -3.150 -26.534 1.00 0.00 WAT +ATOM 14523 H1 TIP3 2738 30.412 -2.733 -26.481 1.00 0.00 WAT +ATOM 14524 H2 TIP3 2738 31.171 -3.702 -27.327 1.00 0.00 WAT +ATOM 14525 OH2 TIP3 2739 31.451 -2.993 -41.759 1.00 0.00 WAT +ATOM 14526 H1 TIP3 2739 31.697 -3.725 -42.334 1.00 0.00 WAT +ATOM 14527 H2 TIP3 2739 32.282 -2.492 -41.715 1.00 0.00 WAT +ATOM 14528 OH2 TIP3 2740 13.669 -3.214 -38.515 1.00 0.00 WAT +ATOM 14529 H1 TIP3 2740 12.719 -3.193 -38.719 1.00 0.00 WAT +ATOM 14530 H2 TIP3 2740 14.052 -2.622 -39.191 1.00 0.00 WAT +ATOM 14531 OH2 TIP3 2741 28.283 12.035 -36.406 1.00 0.00 WAT +ATOM 14532 H1 TIP3 2741 28.756 11.759 -37.207 1.00 0.00 WAT +ATOM 14533 H2 TIP3 2741 28.994 12.394 -35.863 1.00 0.00 WAT +ATOM 14534 OH2 TIP3 2742 13.711 -4.352 -30.359 1.00 0.00 WAT +ATOM 14535 H1 TIP3 2742 13.018 -4.610 -29.736 1.00 0.00 WAT +ATOM 14536 H2 TIP3 2742 13.202 -3.829 -31.003 1.00 0.00 WAT +ATOM 14537 OH2 TIP3 2743 15.696 8.810 -25.654 1.00 0.00 WAT +ATOM 14538 H1 TIP3 2743 14.992 8.696 -26.308 1.00 0.00 WAT +ATOM 14539 H2 TIP3 2743 15.224 8.703 -24.818 1.00 0.00 WAT +ATOM 14540 OH2 TIP3 2744 18.535 9.744 -29.987 1.00 0.00 WAT +ATOM 14541 H1 TIP3 2744 18.244 10.597 -30.354 1.00 0.00 WAT +ATOM 14542 H2 TIP3 2744 19.495 9.812 -30.165 1.00 0.00 WAT +ATOM 14543 OH2 TIP3 2745 23.038 11.053 -26.971 1.00 0.00 WAT +ATOM 14544 H1 TIP3 2745 23.207 10.860 -26.034 1.00 0.00 WAT +ATOM 14545 H2 TIP3 2745 23.877 11.480 -27.237 1.00 0.00 WAT +ATOM 14546 OH2 TIP3 2746 25.342 12.503 -27.744 1.00 0.00 WAT +ATOM 14547 H1 TIP3 2746 26.019 11.850 -27.979 1.00 0.00 WAT +ATOM 14548 H2 TIP3 2746 25.648 12.789 -26.862 1.00 0.00 WAT +ATOM 14549 OH2 TIP3 2747 30.223 -4.950 -28.617 1.00 0.00 WAT +ATOM 14550 H1 TIP3 2747 29.390 -4.700 -29.056 1.00 0.00 WAT +ATOM 14551 H2 TIP3 2747 30.312 -5.877 -28.910 1.00 0.00 WAT +ATOM 14552 OH2 TIP3 2748 15.893 12.699 -29.670 1.00 0.00 WAT +ATOM 14553 H1 TIP3 2748 15.301 13.339 -30.099 1.00 0.00 WAT +ATOM 14554 H2 TIP3 2748 15.574 12.745 -28.760 1.00 0.00 WAT +ATOM 14555 OH2 TIP3 2749 18.408 12.465 -31.101 1.00 0.00 WAT +ATOM 14556 H1 TIP3 2749 17.550 12.651 -30.673 1.00 0.00 WAT +ATOM 14557 H2 TIP3 2749 18.444 13.147 -31.795 1.00 0.00 WAT +ATOM 14558 OH2 TIP3 2750 23.150 12.454 -31.548 1.00 0.00 WAT +ATOM 14559 H1 TIP3 2750 22.779 12.895 -32.334 1.00 0.00 WAT +ATOM 14560 H2 TIP3 2750 23.239 13.203 -30.930 1.00 0.00 WAT +ATOM 14561 OH2 TIP3 2751 25.487 11.181 -30.618 1.00 0.00 WAT +ATOM 14562 H1 TIP3 2751 24.643 11.523 -30.968 1.00 0.00 WAT +ATOM 14563 H2 TIP3 2751 26.047 11.968 -30.659 1.00 0.00 WAT +ATOM 14564 OH2 TIP3 2752 28.034 12.910 -30.440 1.00 0.00 WAT +ATOM 14565 H1 TIP3 2752 27.976 13.856 -30.674 1.00 0.00 WAT +ATOM 14566 H2 TIP3 2752 28.299 12.530 -31.295 1.00 0.00 WAT +ATOM 14567 OH2 TIP3 2753 15.486 11.478 -32.715 1.00 0.00 WAT +ATOM 14568 H1 TIP3 2753 15.483 10.986 -31.866 1.00 0.00 WAT +ATOM 14569 H2 TIP3 2753 16.244 11.048 -33.163 1.00 0.00 WAT +ATOM 14570 OH2 TIP3 2754 17.505 10.253 -34.255 1.00 0.00 WAT +ATOM 14571 H1 TIP3 2754 17.360 9.311 -34.028 1.00 0.00 WAT +ATOM 14572 H2 TIP3 2754 18.431 10.383 -33.969 1.00 0.00 WAT +ATOM 14573 OH2 TIP3 2755 20.275 10.701 -33.392 1.00 0.00 WAT +ATOM 14574 H1 TIP3 2755 20.464 9.775 -33.628 1.00 0.00 WAT +ATOM 14575 H2 TIP3 2755 20.343 10.653 -32.425 1.00 0.00 WAT +ATOM 14576 OH2 TIP3 2756 23.599 -3.410 -34.092 1.00 0.00 WAT +ATOM 14577 H1 TIP3 2756 22.913 -4.090 -33.948 1.00 0.00 WAT +ATOM 14578 H2 TIP3 2756 24.209 -3.869 -34.692 1.00 0.00 WAT +ATOM 14579 OH2 TIP3 2757 28.569 -5.378 -33.627 1.00 0.00 WAT +ATOM 14580 H1 TIP3 2757 29.322 -4.948 -34.068 1.00 0.00 WAT +ATOM 14581 H2 TIP3 2757 27.816 -5.105 -34.175 1.00 0.00 WAT +ATOM 14582 OH2 TIP3 2758 30.598 -4.284 -35.797 1.00 0.00 WAT +ATOM 14583 H1 TIP3 2758 31.341 -4.742 -36.232 1.00 0.00 WAT +ATOM 14584 H2 TIP3 2758 30.955 -3.384 -35.678 1.00 0.00 WAT +ATOM 14585 OH2 TIP3 2759 15.959 -4.698 -36.520 1.00 0.00 WAT +ATOM 14586 H1 TIP3 2759 15.097 -4.818 -36.967 1.00 0.00 WAT +ATOM 14587 H2 TIP3 2759 16.378 -5.561 -36.684 1.00 0.00 WAT +ATOM 14588 OH2 TIP3 2760 14.737 -5.152 -40.806 1.00 0.00 WAT +ATOM 14589 H1 TIP3 2760 15.331 -4.519 -41.273 1.00 0.00 WAT +ATOM 14590 H2 TIP3 2760 14.405 -4.598 -40.081 1.00 0.00 WAT +ATOM 14591 OH2 TIP3 2761 20.426 -4.887 -36.654 1.00 0.00 WAT +ATOM 14592 H1 TIP3 2761 21.329 -4.561 -36.799 1.00 0.00 WAT +ATOM 14593 H2 TIP3 2761 20.409 -4.960 -35.692 1.00 0.00 WAT +ATOM 14594 OH2 TIP3 2762 26.023 -4.827 -35.241 1.00 0.00 WAT +ATOM 14595 H1 TIP3 2762 26.276 -4.967 -36.164 1.00 0.00 WAT +ATOM 14596 H2 TIP3 2762 25.639 -5.691 -35.005 1.00 0.00 WAT +ATOM 14597 OH2 TIP3 2763 27.067 -4.847 -39.190 1.00 0.00 WAT +ATOM 14598 H1 TIP3 2763 26.284 -4.381 -39.528 1.00 0.00 WAT +ATOM 14599 H2 TIP3 2763 26.748 -5.767 -39.190 1.00 0.00 WAT +ATOM 14600 OH2 TIP3 2764 14.805 10.753 -39.622 1.00 0.00 WAT +ATOM 14601 H1 TIP3 2764 14.114 10.716 -40.307 1.00 0.00 WAT +ATOM 14602 H2 TIP3 2764 14.831 11.701 -39.448 1.00 0.00 WAT +ATOM 14603 OH2 TIP3 2765 16.415 -3.455 -42.275 1.00 0.00 WAT +ATOM 14604 H1 TIP3 2765 16.981 -3.996 -42.842 1.00 0.00 WAT +ATOM 14605 H2 TIP3 2765 17.076 -2.922 -41.799 1.00 0.00 WAT +ATOM 14606 OH2 TIP3 2766 21.524 -3.245 -39.582 1.00 0.00 WAT +ATOM 14607 H1 TIP3 2766 21.944 -3.771 -38.883 1.00 0.00 WAT +ATOM 14608 H2 TIP3 2766 21.778 -2.356 -39.288 1.00 0.00 WAT +ATOM 14609 OH2 TIP3 2767 23.619 12.408 -41.455 1.00 0.00 WAT +ATOM 14610 H1 TIP3 2767 24.590 12.513 -41.534 1.00 0.00 WAT +ATOM 14611 H2 TIP3 2767 23.476 11.766 -42.179 1.00 0.00 WAT +ATOM 14612 OH2 TIP3 2768 30.245 11.581 -38.850 1.00 0.00 WAT +ATOM 14613 H1 TIP3 2768 29.931 10.745 -39.256 1.00 0.00 WAT +ATOM 14614 H2 TIP3 2768 29.993 12.240 -39.530 1.00 0.00 WAT +ATOM 14615 OH2 TIP3 2769 15.771 -4.462 -27.028 1.00 0.00 WAT +ATOM 14616 H1 TIP3 2769 15.337 -5.244 -26.643 1.00 0.00 WAT +ATOM 14617 H2 TIP3 2769 16.681 -4.585 -26.708 1.00 0.00 WAT +ATOM 14618 OH2 TIP3 2770 18.123 -5.075 -25.289 1.00 0.00 WAT +ATOM 14619 H1 TIP3 2770 18.949 -5.438 -25.665 1.00 0.00 WAT +ATOM 14620 H2 TIP3 2770 17.782 -5.850 -24.814 1.00 0.00 WAT +ATOM 14621 OH2 TIP3 2771 16.868 11.904 -42.311 1.00 0.00 WAT +ATOM 14622 H1 TIP3 2771 16.393 12.019 -41.481 1.00 0.00 WAT +ATOM 14623 H2 TIP3 2771 17.458 11.162 -42.138 1.00 0.00 WAT +ATOM 14624 OH2 TIP3 2772 26.305 -5.992 -25.110 1.00 0.00 WAT +ATOM 14625 H1 TIP3 2772 26.321 -6.373 -24.211 1.00 0.00 WAT +ATOM 14626 H2 TIP3 2772 27.242 -6.087 -25.371 1.00 0.00 WAT +ATOM 14627 OH2 TIP3 2773 29.631 10.380 -26.414 1.00 0.00 WAT +ATOM 14628 H1 TIP3 2773 28.896 10.167 -27.016 1.00 0.00 WAT +ATOM 14629 H2 TIP3 2773 29.433 11.311 -26.206 1.00 0.00 WAT +ATOM 14630 OH2 TIP3 2774 42.228 3.481 -33.187 1.00 0.00 WAT +ATOM 14631 H1 TIP3 2774 42.836 3.112 -32.534 1.00 0.00 WAT +ATOM 14632 H2 TIP3 2774 42.431 2.983 -33.990 1.00 0.00 WAT +ATOM 14633 OH2 TIP3 2775 35.143 3.078 -31.528 1.00 0.00 WAT +ATOM 14634 H1 TIP3 2775 35.122 2.319 -30.916 1.00 0.00 WAT +ATOM 14635 H2 TIP3 2775 35.853 3.609 -31.141 1.00 0.00 WAT +ATOM 14636 OH2 TIP3 2776 35.812 7.723 -33.047 1.00 0.00 WAT +ATOM 14637 H1 TIP3 2776 35.563 6.805 -33.289 1.00 0.00 WAT +ATOM 14638 H2 TIP3 2776 36.731 7.573 -32.781 1.00 0.00 WAT +ATOM 14639 OH2 TIP3 2777 32.807 1.149 -37.634 1.00 0.00 WAT +ATOM 14640 H1 TIP3 2777 32.347 1.997 -37.541 1.00 0.00 WAT +ATOM 14641 H2 TIP3 2777 32.124 0.604 -38.049 1.00 0.00 WAT +ATOM 14642 OH2 TIP3 2778 33.624 3.582 -35.763 1.00 0.00 WAT +ATOM 14643 H1 TIP3 2778 33.739 2.729 -35.297 1.00 0.00 WAT +ATOM 14644 H2 TIP3 2778 34.447 3.633 -36.264 1.00 0.00 WAT +ATOM 14645 OH2 TIP3 2779 41.312 6.049 -32.596 1.00 0.00 WAT +ATOM 14646 H1 TIP3 2779 41.451 5.248 -33.144 1.00 0.00 WAT +ATOM 14647 H2 TIP3 2779 41.953 5.865 -31.903 1.00 0.00 WAT +ATOM 14648 OH2 TIP3 2780 37.452 -1.620 -35.055 1.00 0.00 WAT +ATOM 14649 H1 TIP3 2780 37.563 -0.781 -35.542 1.00 0.00 WAT +ATOM 14650 H2 TIP3 2780 37.089 -2.189 -35.757 1.00 0.00 WAT +ATOM 14651 OH2 TIP3 2781 34.138 1.087 -34.544 1.00 0.00 WAT +ATOM 14652 H1 TIP3 2781 34.740 0.585 -33.969 1.00 0.00 WAT +ATOM 14653 H2 TIP3 2781 34.198 0.582 -35.373 1.00 0.00 WAT +ATOM 14654 OH2 TIP3 2782 39.518 2.419 -35.045 1.00 0.00 WAT +ATOM 14655 H1 TIP3 2782 40.273 1.878 -34.726 1.00 0.00 WAT +ATOM 14656 H2 TIP3 2782 39.018 1.747 -35.543 1.00 0.00 WAT +ATOM 14657 OH2 TIP3 2783 36.274 -2.833 -30.896 1.00 0.00 WAT +ATOM 14658 H1 TIP3 2783 35.836 -2.375 -31.628 1.00 0.00 WAT +ATOM 14659 H2 TIP3 2783 35.598 -2.745 -30.195 1.00 0.00 WAT +ATOM 14660 OH2 TIP3 2784 39.181 4.975 -30.752 1.00 0.00 WAT +ATOM 14661 H1 TIP3 2784 38.409 5.512 -30.474 1.00 0.00 WAT +ATOM 14662 H2 TIP3 2784 39.770 5.655 -31.110 1.00 0.00 WAT +ATOM 14663 OH2 TIP3 2785 35.835 -0.801 -32.964 1.00 0.00 WAT +ATOM 14664 H1 TIP3 2785 36.498 -0.250 -32.502 1.00 0.00 WAT +ATOM 14665 H2 TIP3 2785 36.406 -1.204 -33.656 1.00 0.00 WAT +ATOM 14666 OH2 TIP3 2786 37.159 6.877 -30.039 1.00 0.00 WAT +ATOM 14667 H1 TIP3 2786 37.121 7.808 -30.325 1.00 0.00 WAT +ATOM 14668 H2 TIP3 2786 36.289 6.800 -29.600 1.00 0.00 WAT +ATOM 14669 OH2 TIP3 2787 33.530 6.604 -39.208 1.00 0.00 WAT +ATOM 14670 H1 TIP3 2787 33.202 7.037 -40.017 1.00 0.00 WAT +ATOM 14671 H2 TIP3 2787 33.607 7.335 -38.564 1.00 0.00 WAT +ATOM 14672 OH2 TIP3 2788 40.411 -5.470 -33.665 1.00 0.00 WAT +ATOM 14673 H1 TIP3 2788 40.107 -6.405 -33.725 1.00 0.00 WAT +ATOM 14674 H2 TIP3 2788 39.575 -5.037 -33.393 1.00 0.00 WAT +ATOM 14675 OH2 TIP3 2789 42.642 3.386 -39.164 1.00 0.00 WAT +ATOM 14676 H1 TIP3 2789 41.999 4.110 -39.283 1.00 0.00 WAT +ATOM 14677 H2 TIP3 2789 43.379 3.696 -39.698 1.00 0.00 WAT +ATOM 14678 OH2 TIP3 2790 42.879 1.970 -42.133 1.00 0.00 WAT +ATOM 14679 H1 TIP3 2790 43.538 1.998 -41.418 1.00 0.00 WAT +ATOM 14680 H2 TIP3 2790 42.981 1.080 -42.471 1.00 0.00 WAT +ATOM 14681 OH2 TIP3 2791 37.616 4.333 -36.177 1.00 0.00 WAT +ATOM 14682 H1 TIP3 2791 37.286 3.872 -36.971 1.00 0.00 WAT +ATOM 14683 H2 TIP3 2791 38.224 3.670 -35.800 1.00 0.00 WAT +ATOM 14684 OH2 TIP3 2792 39.005 7.737 -33.423 1.00 0.00 WAT +ATOM 14685 H1 TIP3 2792 38.863 7.300 -34.273 1.00 0.00 WAT +ATOM 14686 H2 TIP3 2792 39.796 7.273 -33.091 1.00 0.00 WAT +ATOM 14687 OH2 TIP3 2793 38.140 3.169 -32.691 1.00 0.00 WAT +ATOM 14688 H1 TIP3 2793 38.750 3.121 -33.455 1.00 0.00 WAT +ATOM 14689 H2 TIP3 2793 38.585 3.803 -32.099 1.00 0.00 WAT +ATOM 14690 OH2 TIP3 2794 39.054 7.519 -27.880 1.00 0.00 WAT +ATOM 14691 H1 TIP3 2794 38.532 8.136 -27.339 1.00 0.00 WAT +ATOM 14692 H2 TIP3 2794 38.389 7.226 -28.531 1.00 0.00 WAT +ATOM 14693 OH2 TIP3 2795 35.950 3.885 -28.729 1.00 0.00 WAT +ATOM 14694 H1 TIP3 2795 35.988 4.429 -27.923 1.00 0.00 WAT +ATOM 14695 H2 TIP3 2795 34.994 3.717 -28.802 1.00 0.00 WAT +ATOM 14696 OH2 TIP3 2796 42.521 9.600 -36.970 1.00 0.00 WAT +ATOM 14697 H1 TIP3 2796 42.995 10.139 -36.316 1.00 0.00 WAT +ATOM 14698 H2 TIP3 2796 41.970 10.264 -37.404 1.00 0.00 WAT +ATOM 14699 OH2 TIP3 2797 37.099 9.673 -27.011 1.00 0.00 WAT +ATOM 14700 H1 TIP3 2797 36.985 9.664 -27.977 1.00 0.00 WAT +ATOM 14701 H2 TIP3 2797 36.226 9.381 -26.683 1.00 0.00 WAT +ATOM 14702 OH2 TIP3 2798 36.519 3.087 -38.638 1.00 0.00 WAT +ATOM 14703 H1 TIP3 2798 36.244 3.827 -39.204 1.00 0.00 WAT +ATOM 14704 H2 TIP3 2798 35.858 2.413 -38.851 1.00 0.00 WAT +ATOM 14705 OH2 TIP3 2799 32.562 5.752 -29.901 1.00 0.00 WAT +ATOM 14706 H1 TIP3 2799 32.116 5.734 -30.771 1.00 0.00 WAT +ATOM 14707 H2 TIP3 2799 32.694 4.801 -29.724 1.00 0.00 WAT +ATOM 14708 OH2 TIP3 2800 32.625 8.713 -32.985 1.00 0.00 WAT +ATOM 14709 H1 TIP3 2800 33.532 8.380 -32.916 1.00 0.00 WAT +ATOM 14710 H2 TIP3 2800 32.565 9.271 -32.197 1.00 0.00 WAT +ATOM 14711 OH2 TIP3 2801 41.705 8.526 -28.388 1.00 0.00 WAT +ATOM 14712 H1 TIP3 2801 41.811 9.377 -27.940 1.00 0.00 WAT +ATOM 14713 H2 TIP3 2801 40.801 8.252 -28.137 1.00 0.00 WAT +ATOM 14714 OH2 TIP3 2802 41.837 12.316 -38.490 1.00 0.00 WAT +ATOM 14715 H1 TIP3 2802 42.088 12.384 -39.423 1.00 0.00 WAT +ATOM 14716 H2 TIP3 2802 42.075 13.178 -38.124 1.00 0.00 WAT +ATOM 14717 OH2 TIP3 2803 35.730 11.453 -36.804 1.00 0.00 WAT +ATOM 14718 H1 TIP3 2803 35.909 11.017 -35.944 1.00 0.00 WAT +ATOM 14719 H2 TIP3 2803 34.879 11.052 -37.029 1.00 0.00 WAT +ATOM 14720 OH2 TIP3 2804 34.747 7.306 -28.656 1.00 0.00 WAT +ATOM 14721 H1 TIP3 2804 35.024 6.837 -27.841 1.00 0.00 WAT +ATOM 14722 H2 TIP3 2804 34.015 6.752 -28.986 1.00 0.00 WAT +ATOM 14723 OH2 TIP3 2805 37.906 -4.206 -33.036 1.00 0.00 WAT +ATOM 14724 H1 TIP3 2805 37.039 -4.440 -33.402 1.00 0.00 WAT +ATOM 14725 H2 TIP3 2805 37.632 -3.651 -32.289 1.00 0.00 WAT +ATOM 14726 OH2 TIP3 2806 42.467 -4.986 -28.379 1.00 0.00 WAT +ATOM 14727 H1 TIP3 2806 42.350 -5.905 -28.046 1.00 0.00 WAT +ATOM 14728 H2 TIP3 2806 41.571 -4.879 -28.776 1.00 0.00 WAT +ATOM 14729 OH2 TIP3 2807 42.231 -2.141 -42.022 1.00 0.00 WAT +ATOM 14730 H1 TIP3 2807 41.569 -2.286 -41.331 1.00 0.00 WAT +ATOM 14731 H2 TIP3 2807 41.946 -2.795 -42.676 1.00 0.00 WAT +ATOM 14732 OH2 TIP3 2808 37.826 0.582 -31.476 1.00 0.00 WAT +ATOM 14733 H1 TIP3 2808 37.198 0.646 -30.738 1.00 0.00 WAT +ATOM 14734 H2 TIP3 2808 37.829 1.489 -31.846 1.00 0.00 WAT +ATOM 14735 OH2 TIP3 2809 37.738 0.668 -36.623 1.00 0.00 WAT +ATOM 14736 H1 TIP3 2809 36.781 0.529 -36.761 1.00 0.00 WAT +ATOM 14737 H2 TIP3 2809 38.077 0.443 -37.512 1.00 0.00 WAT +ATOM 14738 OH2 TIP3 2810 42.880 0.975 -37.449 1.00 0.00 WAT +ATOM 14739 H1 TIP3 2810 42.643 1.891 -37.681 1.00 0.00 WAT +ATOM 14740 H2 TIP3 2810 43.167 0.612 -38.289 1.00 0.00 WAT +ATOM 14741 OH2 TIP3 2811 42.505 1.472 -26.273 1.00 0.00 WAT +ATOM 14742 H1 TIP3 2811 41.979 0.651 -26.144 1.00 0.00 WAT +ATOM 14743 H2 TIP3 2811 43.399 1.086 -26.304 1.00 0.00 WAT +ATOM 14744 OH2 TIP3 2812 35.159 0.747 -29.627 1.00 0.00 WAT +ATOM 14745 H1 TIP3 2812 35.430 1.000 -28.736 1.00 0.00 WAT +ATOM 14746 H2 TIP3 2812 34.812 -0.151 -29.469 1.00 0.00 WAT +ATOM 14747 OH2 TIP3 2813 38.984 -1.779 -43.088 1.00 0.00 WAT +ATOM 14748 H1 TIP3 2813 38.588 -2.146 -42.276 1.00 0.00 WAT +ATOM 14749 H2 TIP3 2813 38.205 -1.342 -43.482 1.00 0.00 WAT +ATOM 14750 OH2 TIP3 2814 32.041 -1.756 -35.995 1.00 0.00 WAT +ATOM 14751 H1 TIP3 2814 32.645 -1.890 -35.241 1.00 0.00 WAT +ATOM 14752 H2 TIP3 2814 32.478 -2.214 -36.731 1.00 0.00 WAT +ATOM 14753 OH2 TIP3 2815 33.584 -1.371 -40.377 1.00 0.00 WAT +ATOM 14754 H1 TIP3 2815 34.131 -0.889 -41.026 1.00 0.00 WAT +ATOM 14755 H2 TIP3 2815 32.889 -0.719 -40.177 1.00 0.00 WAT +ATOM 14756 OH2 TIP3 2816 43.494 2.038 -30.241 1.00 0.00 WAT +ATOM 14757 H1 TIP3 2816 43.794 1.331 -30.854 1.00 0.00 WAT +ATOM 14758 H2 TIP3 2816 42.809 1.551 -29.760 1.00 0.00 WAT +ATOM 14759 OH2 TIP3 2817 40.490 -1.906 -35.557 1.00 0.00 WAT +ATOM 14760 H1 TIP3 2817 39.543 -1.928 -35.333 1.00 0.00 WAT +ATOM 14761 H2 TIP3 2817 40.883 -1.896 -34.671 1.00 0.00 WAT +ATOM 14762 OH2 TIP3 2818 35.130 -0.528 -36.933 1.00 0.00 WAT +ATOM 14763 H1 TIP3 2818 34.273 -0.316 -37.342 1.00 0.00 WAT +ATOM 14764 H2 TIP3 2818 35.386 -1.358 -37.379 1.00 0.00 WAT +ATOM 14765 OH2 TIP3 2819 38.660 -0.143 -39.219 1.00 0.00 WAT +ATOM 14766 H1 TIP3 2819 39.630 -0.136 -39.176 1.00 0.00 WAT +ATOM 14767 H2 TIP3 2819 38.446 0.432 -39.972 1.00 0.00 WAT +ATOM 14768 OH2 TIP3 2820 37.279 1.038 -41.616 1.00 0.00 WAT +ATOM 14769 H1 TIP3 2820 36.664 0.475 -42.117 1.00 0.00 WAT +ATOM 14770 H2 TIP3 2820 38.056 1.060 -42.187 1.00 0.00 WAT +ATOM 14771 OH2 TIP3 2821 35.826 5.794 -26.465 1.00 0.00 WAT +ATOM 14772 H1 TIP3 2821 36.496 5.850 -25.751 1.00 0.00 WAT +ATOM 14773 H2 TIP3 2821 35.018 5.726 -25.918 1.00 0.00 WAT +ATOM 14774 OH2 TIP3 2822 41.488 0.569 -34.136 1.00 0.00 WAT +ATOM 14775 H1 TIP3 2822 42.129 0.025 -34.614 1.00 0.00 WAT +ATOM 14776 H2 TIP3 2822 41.562 0.221 -33.228 1.00 0.00 WAT +ATOM 14777 OH2 TIP3 2823 36.825 -2.843 -37.657 1.00 0.00 WAT +ATOM 14778 H1 TIP3 2823 36.250 -3.595 -37.416 1.00 0.00 WAT +ATOM 14779 H2 TIP3 2823 37.654 -3.290 -37.875 1.00 0.00 WAT +ATOM 14780 OH2 TIP3 2824 40.544 -0.805 -31.543 1.00 0.00 WAT +ATOM 14781 H1 TIP3 2824 39.767 -0.221 -31.569 1.00 0.00 WAT +ATOM 14782 H2 TIP3 2824 41.011 -0.496 -30.746 1.00 0.00 WAT +ATOM 14783 OH2 TIP3 2825 40.683 5.482 -39.551 1.00 0.00 WAT +ATOM 14784 H1 TIP3 2825 39.913 4.992 -39.902 1.00 0.00 WAT +ATOM 14785 H2 TIP3 2825 40.475 5.565 -38.591 1.00 0.00 WAT +ATOM 14786 OH2 TIP3 2826 42.292 5.711 -28.521 1.00 0.00 WAT +ATOM 14787 H1 TIP3 2826 41.961 5.275 -27.729 1.00 0.00 WAT +ATOM 14788 H2 TIP3 2826 42.078 6.647 -28.377 1.00 0.00 WAT +ATOM 14789 OH2 TIP3 2827 35.802 5.024 -33.773 1.00 0.00 WAT +ATOM 14790 H1 TIP3 2827 36.349 4.889 -34.564 1.00 0.00 WAT +ATOM 14791 H2 TIP3 2827 35.875 4.160 -33.334 1.00 0.00 WAT +ATOM 14792 OH2 TIP3 2828 42.839 6.904 -40.510 1.00 0.00 WAT +ATOM 14793 H1 TIP3 2828 42.523 7.805 -40.307 1.00 0.00 WAT +ATOM 14794 H2 TIP3 2828 42.078 6.370 -40.204 1.00 0.00 WAT +ATOM 14795 OH2 TIP3 2829 33.040 3.292 -28.511 1.00 0.00 WAT +ATOM 14796 H1 TIP3 2829 33.205 2.839 -27.660 1.00 0.00 WAT +ATOM 14797 H2 TIP3 2829 32.440 2.680 -28.968 1.00 0.00 WAT +ATOM 14798 OH2 TIP3 2830 40.030 2.827 -26.520 1.00 0.00 WAT +ATOM 14799 H1 TIP3 2830 39.652 2.460 -27.339 1.00 0.00 WAT +ATOM 14800 H2 TIP3 2830 40.953 2.513 -26.580 1.00 0.00 WAT +ATOM 14801 OH2 TIP3 2831 38.159 8.287 -36.560 1.00 0.00 WAT +ATOM 14802 H1 TIP3 2831 38.572 9.160 -36.649 1.00 0.00 WAT +ATOM 14803 H2 TIP3 2831 37.230 8.486 -36.730 1.00 0.00 WAT +ATOM 14804 OH2 TIP3 2832 34.230 3.237 -42.031 1.00 0.00 WAT +ATOM 14805 H1 TIP3 2832 34.764 3.853 -41.497 1.00 0.00 WAT +ATOM 14806 H2 TIP3 2832 33.327 3.387 -41.681 1.00 0.00 WAT +ATOM 14807 OH2 TIP3 2833 39.956 5.987 -36.899 1.00 0.00 WAT +ATOM 14808 H1 TIP3 2833 39.636 6.892 -36.756 1.00 0.00 WAT +ATOM 14809 H2 TIP3 2833 39.250 5.467 -36.481 1.00 0.00 WAT +ATOM 14810 OH2 TIP3 2834 40.200 10.276 -30.525 1.00 0.00 WAT +ATOM 14811 H1 TIP3 2834 40.787 10.990 -30.853 1.00 0.00 WAT +ATOM 14812 H2 TIP3 2834 40.819 9.770 -29.978 1.00 0.00 WAT +ATOM 14813 OH2 TIP3 2835 38.595 11.196 -37.366 1.00 0.00 WAT +ATOM 14814 H1 TIP3 2835 37.645 11.339 -37.225 1.00 0.00 WAT +ATOM 14815 H2 TIP3 2835 38.969 12.052 -37.082 1.00 0.00 WAT +ATOM 14816 OH2 TIP3 2836 34.360 -2.053 -28.905 1.00 0.00 WAT +ATOM 14817 H1 TIP3 2836 33.446 -1.823 -29.164 1.00 0.00 WAT +ATOM 14818 H2 TIP3 2836 34.233 -2.935 -28.510 1.00 0.00 WAT +ATOM 14819 OH2 TIP3 2837 34.134 9.686 -30.504 1.00 0.00 WAT +ATOM 14820 H1 TIP3 2837 34.405 8.771 -30.334 1.00 0.00 WAT +ATOM 14821 H2 TIP3 2837 34.341 10.086 -29.650 1.00 0.00 WAT +ATOM 14822 OH2 TIP3 2838 39.749 8.208 -43.797 1.00 0.00 WAT +ATOM 14823 H1 TIP3 2838 40.426 7.520 -43.920 1.00 0.00 WAT +ATOM 14824 H2 TIP3 2838 39.464 8.013 -42.882 1.00 0.00 WAT +ATOM 14825 OH2 TIP3 2839 38.754 7.822 -40.711 1.00 0.00 WAT +ATOM 14826 H1 TIP3 2839 39.300 7.282 -40.119 1.00 0.00 WAT +ATOM 14827 H2 TIP3 2839 38.999 8.728 -40.446 1.00 0.00 WAT +ATOM 14828 OH2 TIP3 2840 35.634 5.248 -40.410 1.00 0.00 WAT +ATOM 14829 H1 TIP3 2840 34.880 5.618 -39.898 1.00 0.00 WAT +ATOM 14830 H2 TIP3 2840 36.152 6.049 -40.564 1.00 0.00 WAT +ATOM 14831 OH2 TIP3 2841 43.298 -1.661 -29.884 1.00 0.00 WAT +ATOM 14832 H1 TIP3 2841 43.849 -2.282 -29.398 1.00 0.00 WAT +ATOM 14833 H2 TIP3 2841 42.918 -2.222 -30.573 1.00 0.00 WAT +ATOM 14834 OH2 TIP3 2842 41.622 9.489 -40.296 1.00 0.00 WAT +ATOM 14835 H1 TIP3 2842 40.880 10.039 -39.998 1.00 0.00 WAT +ATOM 14836 H2 TIP3 2842 42.164 10.138 -40.758 1.00 0.00 WAT +ATOM 14837 OH2 TIP3 2843 41.189 -1.005 -38.133 1.00 0.00 WAT +ATOM 14838 H1 TIP3 2843 41.828 -0.344 -37.798 1.00 0.00 WAT +ATOM 14839 H2 TIP3 2843 40.812 -1.273 -37.271 1.00 0.00 WAT +ATOM 14840 OH2 TIP3 2844 41.611 0.124 -28.929 1.00 0.00 WAT +ATOM 14841 H1 TIP3 2844 41.855 0.582 -28.117 1.00 0.00 WAT +ATOM 14842 H2 TIP3 2844 42.310 -0.560 -29.015 1.00 0.00 WAT +ATOM 14843 OH2 TIP3 2845 41.977 -3.829 -36.937 1.00 0.00 WAT +ATOM 14844 H1 TIP3 2845 41.675 -3.036 -36.443 1.00 0.00 WAT +ATOM 14845 H2 TIP3 2845 42.720 -3.477 -37.458 1.00 0.00 WAT +ATOM 14846 OH2 TIP3 2846 38.893 10.638 -40.265 1.00 0.00 WAT +ATOM 14847 H1 TIP3 2846 38.975 11.498 -40.724 1.00 0.00 WAT +ATOM 14848 H2 TIP3 2846 38.778 10.907 -39.334 1.00 0.00 WAT +ATOM 14849 OH2 TIP3 2847 37.701 -2.667 -40.839 1.00 0.00 WAT +ATOM 14850 H1 TIP3 2847 37.609 -2.019 -40.120 1.00 0.00 WAT +ATOM 14851 H2 TIP3 2847 38.367 -3.277 -40.485 1.00 0.00 WAT +ATOM 14852 OH2 TIP3 2848 36.114 8.230 -41.812 1.00 0.00 WAT +ATOM 14853 H1 TIP3 2848 36.805 8.566 -41.218 1.00 0.00 WAT +ATOM 14854 H2 TIP3 2848 36.616 7.544 -42.274 1.00 0.00 WAT +ATOM 14855 OH2 TIP3 2849 34.340 0.380 -42.600 1.00 0.00 WAT +ATOM 14856 H1 TIP3 2849 34.439 1.330 -42.400 1.00 0.00 WAT +ATOM 14857 H2 TIP3 2849 33.414 0.341 -42.903 1.00 0.00 WAT +ATOM 14858 OH2 TIP3 2850 34.883 -4.787 -33.604 1.00 0.00 WAT +ATOM 14859 H1 TIP3 2850 34.836 -4.923 -34.564 1.00 0.00 WAT +ATOM 14860 H2 TIP3 2850 34.817 -5.724 -33.287 1.00 0.00 WAT +ATOM 14861 OH2 TIP3 2851 34.038 8.865 -37.460 1.00 0.00 WAT +ATOM 14862 H1 TIP3 2851 33.238 9.361 -37.242 1.00 0.00 WAT +ATOM 14863 H2 TIP3 2851 34.411 9.372 -38.193 1.00 0.00 WAT +ATOM 14864 OH2 TIP3 2852 33.452 11.734 -26.287 1.00 0.00 WAT +ATOM 14865 H1 TIP3 2852 34.042 11.445 -25.564 1.00 0.00 WAT +ATOM 14866 H2 TIP3 2852 33.070 10.879 -26.570 1.00 0.00 WAT +ATOM 14867 OH2 TIP3 2853 38.162 10.820 -24.525 1.00 0.00 WAT +ATOM 14868 H1 TIP3 2853 38.808 10.140 -24.279 1.00 0.00 WAT +ATOM 14869 H2 TIP3 2853 37.899 10.517 -25.410 1.00 0.00 WAT +ATOM 14870 OH2 TIP3 2854 42.323 10.158 -43.231 1.00 0.00 WAT +ATOM 14871 H1 TIP3 2854 41.573 9.551 -43.212 1.00 0.00 WAT +ATOM 14872 H2 TIP3 2854 43.016 9.588 -43.595 1.00 0.00 WAT +ATOM 14873 OH2 TIP3 2855 33.419 5.375 -25.176 1.00 0.00 WAT +ATOM 14874 H1 TIP3 2855 33.503 4.451 -25.467 1.00 0.00 WAT +ATOM 14875 H2 TIP3 2855 32.642 5.661 -25.695 1.00 0.00 WAT +ATOM 14876 OH2 TIP3 2856 37.903 5.991 -43.220 1.00 0.00 WAT +ATOM 14877 H1 TIP3 2856 37.556 5.359 -42.571 1.00 0.00 WAT +ATOM 14878 H2 TIP3 2856 38.724 5.541 -43.466 1.00 0.00 WAT +ATOM 14879 OH2 TIP3 2857 40.099 5.586 -25.856 1.00 0.00 WAT +ATOM 14880 H1 TIP3 2857 39.763 5.872 -26.719 1.00 0.00 WAT +ATOM 14881 H2 TIP3 2857 40.179 4.615 -25.969 1.00 0.00 WAT +ATOM 14882 OH2 TIP3 2858 42.635 6.880 -43.460 1.00 0.00 WAT +ATOM 14883 H1 TIP3 2858 43.153 7.215 -42.695 1.00 0.00 WAT +ATOM 14884 H2 TIP3 2858 43.227 6.188 -43.778 1.00 0.00 WAT +ATOM 14885 OH2 TIP3 2859 34.283 2.517 -25.994 1.00 0.00 WAT +ATOM 14886 H1 TIP3 2859 34.997 1.856 -25.997 1.00 0.00 WAT +ATOM 14887 H2 TIP3 2859 34.222 2.700 -25.042 1.00 0.00 WAT +ATOM 14888 OH2 TIP3 2860 38.683 3.851 -40.908 1.00 0.00 WAT +ATOM 14889 H1 TIP3 2860 38.059 3.406 -40.314 1.00 0.00 WAT +ATOM 14890 H2 TIP3 2860 39.032 3.100 -41.421 1.00 0.00 WAT +ATOM 14891 OH2 TIP3 2861 37.971 1.667 -28.518 1.00 0.00 WAT +ATOM 14892 H1 TIP3 2861 37.398 2.435 -28.343 1.00 0.00 WAT +ATOM 14893 H2 TIP3 2861 38.504 1.978 -29.264 1.00 0.00 WAT +ATOM 14894 OH2 TIP3 2862 39.949 2.007 -42.768 1.00 0.00 WAT +ATOM 14895 H1 TIP3 2862 39.942 1.739 -43.698 1.00 0.00 WAT +ATOM 14896 H2 TIP3 2862 40.904 2.125 -42.607 1.00 0.00 WAT +ATOM 14897 OH2 TIP3 2863 42.859 4.130 -24.872 1.00 0.00 WAT +ATOM 14898 H1 TIP3 2863 43.589 3.781 -25.390 1.00 0.00 WAT +ATOM 14899 H2 TIP3 2863 42.659 3.346 -24.328 1.00 0.00 WAT +ATOM 14900 OH2 TIP3 2864 38.583 -1.051 -27.392 1.00 0.00 WAT +ATOM 14901 H1 TIP3 2864 38.604 -1.719 -28.102 1.00 0.00 WAT +ATOM 14902 H2 TIP3 2864 38.380 -0.245 -27.897 1.00 0.00 WAT +ATOM 14903 OH2 TIP3 2865 38.865 -2.570 -29.966 1.00 0.00 WAT +ATOM 14904 H1 TIP3 2865 39.321 -2.053 -30.654 1.00 0.00 WAT +ATOM 14905 H2 TIP3 2865 37.950 -2.636 -30.320 1.00 0.00 WAT +ATOM 14906 OH2 TIP3 2866 40.678 2.832 -29.612 1.00 0.00 WAT +ATOM 14907 H1 TIP3 2866 41.350 2.737 -30.297 1.00 0.00 WAT +ATOM 14908 H2 TIP3 2866 40.266 3.678 -29.847 1.00 0.00 WAT +ATOM 14909 OH2 TIP3 2867 36.739 0.767 -25.652 1.00 0.00 WAT +ATOM 14910 H1 TIP3 2867 36.193 -0.038 -25.614 1.00 0.00 WAT +ATOM 14911 H2 TIP3 2867 37.546 0.432 -26.073 1.00 0.00 WAT +ATOM 14912 OH2 TIP3 2868 39.935 -5.112 -29.614 1.00 0.00 WAT +ATOM 14913 H1 TIP3 2868 39.551 -4.216 -29.728 1.00 0.00 WAT +ATOM 14914 H2 TIP3 2868 39.240 -5.641 -30.066 1.00 0.00 WAT +ATOM 14915 OH2 TIP3 2869 41.063 -0.801 -25.857 1.00 0.00 WAT +ATOM 14916 H1 TIP3 2869 40.687 -1.072 -25.003 1.00 0.00 WAT +ATOM 14917 H2 TIP3 2869 40.310 -1.014 -26.444 1.00 0.00 WAT +ATOM 14918 OH2 TIP3 2870 35.393 -1.772 -25.794 1.00 0.00 WAT +ATOM 14919 H1 TIP3 2870 35.311 -2.487 -26.447 1.00 0.00 WAT +ATOM 14920 H2 TIP3 2870 35.185 -2.246 -24.966 1.00 0.00 WAT +ATOM 14921 OH2 TIP3 2871 39.467 -5.767 -26.760 1.00 0.00 WAT +ATOM 14922 H1 TIP3 2871 39.999 -6.575 -26.704 1.00 0.00 WAT +ATOM 14923 H2 TIP3 2871 39.386 -5.662 -27.724 1.00 0.00 WAT +ATOM 14924 OH2 TIP3 2872 40.488 -3.890 -25.013 1.00 0.00 WAT +ATOM 14925 H1 TIP3 2872 40.082 -4.543 -25.622 1.00 0.00 WAT +ATOM 14926 H2 TIP3 2872 39.756 -3.271 -24.864 1.00 0.00 WAT +ATOM 14927 OH2 TIP3 2873 39.608 13.059 -41.754 1.00 0.00 WAT +ATOM 14928 H1 TIP3 2873 40.539 13.271 -41.607 1.00 0.00 WAT +ATOM 14929 H2 TIP3 2873 39.327 13.723 -42.402 1.00 0.00 WAT +ATOM 14930 OH2 TIP3 2874 33.307 7.245 -42.011 1.00 0.00 WAT +ATOM 14931 H1 TIP3 2874 34.246 7.489 -42.000 1.00 0.00 WAT +ATOM 14932 H2 TIP3 2874 33.247 6.582 -42.719 1.00 0.00 WAT +ATOM 14933 OH2 TIP3 2875 32.371 12.689 -37.210 1.00 0.00 WAT +ATOM 14934 H1 TIP3 2875 31.642 12.338 -37.761 1.00 0.00 WAT +ATOM 14935 H2 TIP3 2875 32.417 12.019 -36.497 1.00 0.00 WAT +ATOM 14936 OH2 TIP3 2876 32.730 10.732 -35.201 1.00 0.00 WAT +ATOM 14937 H1 TIP3 2876 32.434 9.857 -34.895 1.00 0.00 WAT +ATOM 14938 H2 TIP3 2876 33.067 11.077 -34.360 1.00 0.00 WAT +ATOM 14939 OH2 TIP3 2877 32.804 4.087 -32.802 1.00 0.00 WAT +ATOM 14940 H1 TIP3 2877 33.057 4.110 -33.741 1.00 0.00 WAT +ATOM 14941 H2 TIP3 2877 33.663 3.852 -32.394 1.00 0.00 WAT +ATOM 14942 OH2 TIP3 2878 32.715 -0.581 -26.399 1.00 0.00 WAT +ATOM 14943 H1 TIP3 2878 33.650 -0.851 -26.356 1.00 0.00 WAT +ATOM 14944 H2 TIP3 2878 32.267 -1.442 -26.322 1.00 0.00 WAT +ATOM 14945 OH2 TIP3 2879 33.500 -2.310 -33.598 1.00 0.00 WAT +ATOM 14946 H1 TIP3 2879 33.900 -3.203 -33.515 1.00 0.00 WAT +ATOM 14947 H2 TIP3 2879 34.220 -1.751 -33.254 1.00 0.00 WAT +ATOM 14948 OH2 TIP3 2880 32.032 0.433 -32.551 1.00 0.00 WAT +ATOM 14949 H1 TIP3 2880 32.610 0.365 -33.327 1.00 0.00 WAT +ATOM 14950 H2 TIP3 2880 32.415 1.195 -32.099 1.00 0.00 WAT +ATOM 14951 OH2 TIP3 2881 32.513 -3.174 -38.475 1.00 0.00 WAT +ATOM 14952 H1 TIP3 2881 31.570 -3.205 -38.708 1.00 0.00 WAT +ATOM 14953 H2 TIP3 2881 32.901 -2.628 -39.184 1.00 0.00 WAT +ATOM 14954 OH2 TIP3 2882 32.521 -4.329 -30.305 1.00 0.00 WAT +ATOM 14955 H1 TIP3 2882 31.778 -4.529 -29.718 1.00 0.00 WAT +ATOM 14956 H2 TIP3 2882 32.075 -3.850 -31.024 1.00 0.00 WAT +ATOM 14957 OH2 TIP3 2883 34.558 8.808 -25.671 1.00 0.00 WAT +ATOM 14958 H1 TIP3 2883 33.832 8.715 -26.304 1.00 0.00 WAT +ATOM 14959 H2 TIP3 2883 34.112 8.671 -24.824 1.00 0.00 WAT +ATOM 14960 OH2 TIP3 2884 37.403 9.727 -30.009 1.00 0.00 WAT +ATOM 14961 H1 TIP3 2884 37.093 10.586 -30.346 1.00 0.00 WAT +ATOM 14962 H2 TIP3 2884 38.362 9.824 -30.171 1.00 0.00 WAT +ATOM 14963 OH2 TIP3 2885 42.213 11.342 -27.103 1.00 0.00 WAT +ATOM 14964 H1 TIP3 2885 42.045 10.996 -26.211 1.00 0.00 WAT +ATOM 14965 H2 TIP3 2885 43.155 11.578 -27.021 1.00 0.00 WAT +ATOM 14966 OH2 TIP3 2886 34.783 12.697 -29.664 1.00 0.00 WAT +ATOM 14967 H1 TIP3 2886 34.179 13.321 -30.104 1.00 0.00 WAT +ATOM 14968 H2 TIP3 2886 34.432 12.711 -28.766 1.00 0.00 WAT +ATOM 14969 OH2 TIP3 2887 37.291 12.464 -31.095 1.00 0.00 WAT +ATOM 14970 H1 TIP3 2887 36.438 12.651 -30.654 1.00 0.00 WAT +ATOM 14971 H2 TIP3 2887 37.325 13.161 -31.774 1.00 0.00 WAT +ATOM 14972 OH2 TIP3 2888 41.972 12.238 -31.546 1.00 0.00 WAT +ATOM 14973 H1 TIP3 2888 41.784 12.727 -32.362 1.00 0.00 WAT +ATOM 14974 H2 TIP3 2888 42.585 12.825 -31.091 1.00 0.00 WAT +ATOM 14975 OH2 TIP3 2889 34.353 11.487 -32.713 1.00 0.00 WAT +ATOM 14976 H1 TIP3 2889 34.329 10.993 -31.864 1.00 0.00 WAT +ATOM 14977 H2 TIP3 2889 35.106 11.043 -33.152 1.00 0.00 WAT +ATOM 14978 OH2 TIP3 2890 36.368 10.233 -34.293 1.00 0.00 WAT +ATOM 14979 H1 TIP3 2890 36.200 9.307 -34.015 1.00 0.00 WAT +ATOM 14980 H2 TIP3 2890 37.272 10.381 -33.954 1.00 0.00 WAT +ATOM 14981 OH2 TIP3 2891 39.134 10.711 -33.400 1.00 0.00 WAT +ATOM 14982 H1 TIP3 2891 39.319 9.777 -33.604 1.00 0.00 WAT +ATOM 14983 H2 TIP3 2891 39.208 10.700 -32.433 1.00 0.00 WAT +ATOM 14984 OH2 TIP3 2892 42.595 -3.725 -34.042 1.00 0.00 WAT +ATOM 14985 H1 TIP3 2892 41.793 -4.263 -33.906 1.00 0.00 WAT +ATOM 14986 H2 TIP3 2892 42.947 -4.124 -34.845 1.00 0.00 WAT +ATOM 14987 OH2 TIP3 2893 34.899 -4.729 -36.524 1.00 0.00 WAT +ATOM 14988 H1 TIP3 2893 34.012 -4.888 -36.900 1.00 0.00 WAT +ATOM 14989 H2 TIP3 2893 35.270 -5.632 -36.527 1.00 0.00 WAT +ATOM 14990 OH2 TIP3 2894 33.565 -5.133 -40.825 1.00 0.00 WAT +ATOM 14991 H1 TIP3 2894 34.180 -4.508 -41.265 1.00 0.00 WAT +ATOM 14992 H2 TIP3 2894 33.269 -4.612 -40.062 1.00 0.00 WAT +ATOM 14993 OH2 TIP3 2895 39.308 -4.742 -36.653 1.00 0.00 WAT +ATOM 14994 H1 TIP3 2895 40.273 -4.611 -36.699 1.00 0.00 WAT +ATOM 14995 H2 TIP3 2895 39.199 -4.987 -35.726 1.00 0.00 WAT +ATOM 14996 OH2 TIP3 2896 33.707 10.754 -39.688 1.00 0.00 WAT +ATOM 14997 H1 TIP3 2896 32.961 10.731 -40.313 1.00 0.00 WAT +ATOM 14998 H2 TIP3 2896 33.676 11.677 -39.410 1.00 0.00 WAT +ATOM 14999 OH2 TIP3 2897 35.281 -3.390 -42.317 1.00 0.00 WAT +ATOM 15000 H1 TIP3 2897 35.800 -4.037 -42.812 1.00 0.00 WAT +ATOM 15001 H2 TIP3 2897 35.971 -2.942 -41.795 1.00 0.00 WAT +ATOM 15002 OH2 TIP3 2898 40.735 -3.239 -39.679 1.00 0.00 WAT +ATOM 15003 H1 TIP3 2898 40.613 -3.877 -38.959 1.00 0.00 WAT +ATOM 15004 H2 TIP3 2898 40.610 -2.392 -39.211 1.00 0.00 WAT +ATOM 15005 OH2 TIP3 2899 42.705 12.246 -41.421 1.00 0.00 WAT +ATOM 15006 H1 TIP3 2899 43.549 12.684 -41.633 1.00 0.00 WAT +ATOM 15007 H2 TIP3 2899 42.539 11.717 -42.231 1.00 0.00 WAT +ATOM 15008 OH2 TIP3 2900 34.595 -4.444 -26.980 1.00 0.00 WAT +ATOM 15009 H1 TIP3 2900 34.202 -5.254 -26.617 1.00 0.00 WAT +ATOM 15010 H2 TIP3 2900 35.534 -4.599 -26.792 1.00 0.00 WAT +ATOM 15011 OH2 TIP3 2901 37.006 -5.079 -25.259 1.00 0.00 WAT +ATOM 15012 H1 TIP3 2901 37.818 -5.438 -25.667 1.00 0.00 WAT +ATOM 15013 H2 TIP3 2901 36.655 -5.878 -24.834 1.00 0.00 WAT +ATOM 15014 OH2 TIP3 2902 35.738 11.852 -42.302 1.00 0.00 WAT +ATOM 15015 H1 TIP3 2902 35.249 12.080 -41.502 1.00 0.00 WAT +ATOM 15016 H2 TIP3 2902 36.288 11.112 -42.030 1.00 0.00 WAT +ATOM 15017 OH2 TIP3 2903 -31.606 22.888 -36.278 1.00 0.00 WAT +ATOM 15018 H1 TIP3 2903 -31.601 23.852 -36.151 1.00 0.00 WAT +ATOM 15019 H2 TIP3 2903 -32.374 22.780 -36.855 1.00 0.00 WAT +ATOM 15020 OH2 TIP3 2904 -32.741 22.342 -33.206 1.00 0.00 WAT +ATOM 15021 H1 TIP3 2904 -32.759 21.791 -32.407 1.00 0.00 WAT +ATOM 15022 H2 TIP3 2904 -33.026 21.717 -33.887 1.00 0.00 WAT +ATOM 15023 OH2 TIP3 2905 -40.270 21.927 -31.565 1.00 0.00 WAT +ATOM 15024 H1 TIP3 2905 -40.323 21.198 -30.918 1.00 0.00 WAT +ATOM 15025 H2 TIP3 2905 -39.596 22.489 -31.159 1.00 0.00 WAT +ATOM 15026 OH2 TIP3 2906 -29.075 25.076 -34.880 1.00 0.00 WAT +ATOM 15027 H1 TIP3 2906 -29.445 24.379 -34.324 1.00 0.00 WAT +ATOM 15028 H2 TIP3 2906 -28.779 25.710 -34.212 1.00 0.00 WAT +ATOM 15029 OH2 TIP3 2907 -39.595 26.547 -33.044 1.00 0.00 WAT +ATOM 15030 H1 TIP3 2907 -39.876 25.652 -33.313 1.00 0.00 WAT +ATOM 15031 H2 TIP3 2907 -38.654 26.399 -32.864 1.00 0.00 WAT +ATOM 15032 OH2 TIP3 2908 -42.097 20.206 -38.704 1.00 0.00 WAT +ATOM 15033 H1 TIP3 2908 -42.367 21.077 -38.377 1.00 0.00 WAT +ATOM 15034 H2 TIP3 2908 -42.956 19.801 -38.874 1.00 0.00 WAT +ATOM 15035 OH2 TIP3 2909 -42.060 22.272 -36.026 1.00 0.00 WAT +ATOM 15036 H1 TIP3 2909 -41.856 21.695 -35.273 1.00 0.00 WAT +ATOM 15037 H2 TIP3 2909 -41.231 22.744 -36.162 1.00 0.00 WAT +ATOM 15038 OH2 TIP3 2910 -32.011 30.444 -34.317 1.00 0.00 WAT +ATOM 15039 H1 TIP3 2910 -31.427 29.730 -34.637 1.00 0.00 WAT +ATOM 15040 H2 TIP3 2910 -32.283 30.108 -33.454 1.00 0.00 WAT +ATOM 15041 OH2 TIP3 2911 -34.260 24.847 -32.637 1.00 0.00 WAT +ATOM 15042 H1 TIP3 2911 -33.925 24.134 -33.207 1.00 0.00 WAT +ATOM 15043 H2 TIP3 2911 -33.450 25.011 -32.115 1.00 0.00 WAT +ATOM 15044 OH2 TIP3 2912 -25.609 16.370 -31.977 1.00 0.00 WAT +ATOM 15045 H1 TIP3 2912 -25.339 16.991 -31.279 1.00 0.00 WAT +ATOM 15046 H2 TIP3 2912 -25.005 16.638 -32.695 1.00 0.00 WAT +ATOM 15047 OH2 TIP3 2913 -30.963 19.181 -32.123 1.00 0.00 WAT +ATOM 15048 H1 TIP3 2913 -30.829 18.221 -32.074 1.00 0.00 WAT +ATOM 15049 H2 TIP3 2913 -31.047 19.316 -33.080 1.00 0.00 WAT +ATOM 15050 OH2 TIP3 2914 -37.986 17.186 -35.058 1.00 0.00 WAT +ATOM 15051 H1 TIP3 2914 -37.854 18.047 -35.504 1.00 0.00 WAT +ATOM 15052 H2 TIP3 2914 -38.349 16.666 -35.802 1.00 0.00 WAT +ATOM 15053 OH2 TIP3 2915 -30.155 17.336 -36.748 1.00 0.00 WAT +ATOM 15054 H1 TIP3 2915 -29.567 16.926 -36.078 1.00 0.00 WAT +ATOM 15055 H2 TIP3 2915 -29.506 17.795 -37.302 1.00 0.00 WAT +ATOM 15056 OH2 TIP3 2916 -41.388 19.922 -34.514 1.00 0.00 WAT +ATOM 15057 H1 TIP3 2916 -40.792 19.518 -33.862 1.00 0.00 WAT +ATOM 15058 H2 TIP3 2916 -41.185 19.393 -35.305 1.00 0.00 WAT +ATOM 15059 OH2 TIP3 2917 -35.920 21.310 -35.090 1.00 0.00 WAT +ATOM 15060 H1 TIP3 2917 -35.219 20.762 -34.687 1.00 0.00 WAT +ATOM 15061 H2 TIP3 2917 -36.433 20.639 -35.575 1.00 0.00 WAT +ATOM 15062 OH2 TIP3 2918 -24.872 17.741 -29.511 1.00 0.00 WAT +ATOM 15063 H1 TIP3 2918 -25.446 18.472 -29.803 1.00 0.00 WAT +ATOM 15064 H2 TIP3 2918 -25.070 17.724 -28.565 1.00 0.00 WAT +ATOM 15065 OH2 TIP3 2919 -39.197 15.991 -30.873 1.00 0.00 WAT +ATOM 15066 H1 TIP3 2919 -39.623 16.456 -31.608 1.00 0.00 WAT +ATOM 15067 H2 TIP3 2919 -39.821 16.189 -30.146 1.00 0.00 WAT +ATOM 15068 OH2 TIP3 2920 -31.709 25.739 -37.498 1.00 0.00 WAT +ATOM 15069 H1 TIP3 2920 -32.021 25.537 -38.384 1.00 0.00 WAT +ATOM 15070 H2 TIP3 2920 -32.143 26.591 -37.312 1.00 0.00 WAT +ATOM 15071 OH2 TIP3 2921 -36.260 23.866 -30.768 1.00 0.00 WAT +ATOM 15072 H1 TIP3 2921 -36.983 24.471 -30.498 1.00 0.00 WAT +ATOM 15073 H2 TIP3 2921 -35.633 24.474 -31.200 1.00 0.00 WAT +ATOM 15074 OH2 TIP3 2922 -28.319 16.599 -34.690 1.00 0.00 WAT +ATOM 15075 H1 TIP3 2922 -28.740 16.050 -34.016 1.00 0.00 WAT +ATOM 15076 H2 TIP3 2922 -27.790 17.208 -34.145 1.00 0.00 WAT +ATOM 15077 OH2 TIP3 2923 -39.572 18.048 -32.962 1.00 0.00 WAT +ATOM 15078 H1 TIP3 2923 -38.936 18.632 -32.498 1.00 0.00 WAT +ATOM 15079 H2 TIP3 2923 -38.996 17.689 -33.672 1.00 0.00 WAT +ATOM 15080 OH2 TIP3 2924 -38.278 25.730 -30.033 1.00 0.00 WAT +ATOM 15081 H1 TIP3 2924 -38.294 26.648 -30.361 1.00 0.00 WAT +ATOM 15082 H2 TIP3 2924 -39.162 25.687 -29.620 1.00 0.00 WAT +ATOM 15083 OH2 TIP3 2925 -41.842 25.340 -39.145 1.00 0.00 WAT +ATOM 15084 H1 TIP3 2925 -42.588 25.566 -39.744 1.00 0.00 WAT +ATOM 15085 H2 TIP3 2925 -41.945 25.997 -38.440 1.00 0.00 WAT +ATOM 15086 OH2 TIP3 2926 -28.517 26.887 -32.387 1.00 0.00 WAT +ATOM 15087 H1 TIP3 2926 -29.483 27.025 -32.366 1.00 0.00 WAT +ATOM 15088 H2 TIP3 2926 -28.222 27.741 -32.752 1.00 0.00 WAT +ATOM 15089 OH2 TIP3 2927 -28.177 15.649 -30.840 1.00 0.00 WAT +ATOM 15090 H1 TIP3 2927 -28.933 16.103 -31.257 1.00 0.00 WAT +ATOM 15091 H2 TIP3 2927 -27.444 15.903 -31.436 1.00 0.00 WAT +ATOM 15092 OH2 TIP3 2928 -34.983 13.383 -33.645 1.00 0.00 WAT +ATOM 15093 H1 TIP3 2928 -35.314 12.473 -33.762 1.00 0.00 WAT +ATOM 15094 H2 TIP3 2928 -35.796 13.837 -33.337 1.00 0.00 WAT +ATOM 15095 OH2 TIP3 2929 -30.211 28.836 -35.822 1.00 0.00 WAT +ATOM 15096 H1 TIP3 2929 -29.725 28.049 -36.139 1.00 0.00 WAT +ATOM 15097 H2 TIP3 2929 -29.530 29.528 -35.923 1.00 0.00 WAT +ATOM 15098 OH2 TIP3 2930 -28.763 26.706 -37.202 1.00 0.00 WAT +ATOM 15099 H1 TIP3 2930 -29.267 26.239 -37.881 1.00 0.00 WAT +ATOM 15100 H2 TIP3 2930 -28.806 26.069 -36.463 1.00 0.00 WAT +ATOM 15101 OH2 TIP3 2931 -27.210 25.519 -28.705 1.00 0.00 WAT +ATOM 15102 H1 TIP3 2931 -27.315 24.882 -29.435 1.00 0.00 WAT +ATOM 15103 H2 TIP3 2931 -27.098 26.361 -29.188 1.00 0.00 WAT +ATOM 15104 OH2 TIP3 2932 -32.918 22.385 -39.049 1.00 0.00 WAT +ATOM 15105 H1 TIP3 2932 -33.586 23.018 -39.377 1.00 0.00 WAT +ATOM 15106 H2 TIP3 2932 -32.202 22.498 -39.692 1.00 0.00 WAT +ATOM 15107 OH2 TIP3 2933 -32.743 20.637 -42.048 1.00 0.00 WAT +ATOM 15108 H1 TIP3 2933 -32.058 20.968 -41.442 1.00 0.00 WAT +ATOM 15109 H2 TIP3 2933 -32.203 20.035 -42.605 1.00 0.00 WAT +ATOM 15110 OH2 TIP3 2934 -25.460 21.685 -30.765 1.00 0.00 WAT +ATOM 15111 H1 TIP3 2934 -26.177 22.346 -30.687 1.00 0.00 WAT +ATOM 15112 H2 TIP3 2934 -24.973 22.035 -31.538 1.00 0.00 WAT +ATOM 15113 OH2 TIP3 2935 -29.447 22.410 -37.945 1.00 0.00 WAT +ATOM 15114 H1 TIP3 2935 -30.129 22.633 -37.271 1.00 0.00 WAT +ATOM 15115 H2 TIP3 2935 -28.840 21.861 -37.416 1.00 0.00 WAT +ATOM 15116 OH2 TIP3 2936 -29.603 20.956 -29.096 1.00 0.00 WAT +ATOM 15117 H1 TIP3 2936 -29.539 21.776 -28.577 1.00 0.00 WAT +ATOM 15118 H2 TIP3 2936 -30.243 21.257 -29.765 1.00 0.00 WAT +ATOM 15119 OH2 TIP3 2937 -37.826 23.202 -36.158 1.00 0.00 WAT +ATOM 15120 H1 TIP3 2937 -38.156 22.780 -36.974 1.00 0.00 WAT +ATOM 15121 H2 TIP3 2937 -37.175 22.551 -35.840 1.00 0.00 WAT +ATOM 15122 OH2 TIP3 2938 -36.492 26.578 -33.409 1.00 0.00 WAT +ATOM 15123 H1 TIP3 2938 -36.581 26.229 -34.306 1.00 0.00 WAT +ATOM 15124 H2 TIP3 2938 -35.681 26.129 -33.099 1.00 0.00 WAT +ATOM 15125 OH2 TIP3 2939 -37.265 22.018 -32.679 1.00 0.00 WAT +ATOM 15126 H1 TIP3 2939 -36.684 22.061 -33.462 1.00 0.00 WAT +ATOM 15127 H2 TIP3 2939 -36.871 22.682 -32.082 1.00 0.00 WAT +ATOM 15128 OH2 TIP3 2940 -31.317 27.518 -32.092 1.00 0.00 WAT +ATOM 15129 H1 TIP3 2940 -31.293 28.197 -31.396 1.00 0.00 WAT +ATOM 15130 H2 TIP3 2940 -31.537 26.703 -31.609 1.00 0.00 WAT +ATOM 15131 OH2 TIP3 2941 -36.427 26.311 -27.833 1.00 0.00 WAT +ATOM 15132 H1 TIP3 2941 -36.936 26.985 -27.347 1.00 0.00 WAT +ATOM 15133 H2 TIP3 2941 -37.065 26.059 -28.527 1.00 0.00 WAT +ATOM 15134 OH2 TIP3 2942 -30.356 21.875 -40.573 1.00 0.00 WAT +ATOM 15135 H1 TIP3 2942 -29.942 22.147 -39.727 1.00 0.00 WAT +ATOM 15136 H2 TIP3 2942 -29.755 22.300 -41.216 1.00 0.00 WAT +ATOM 15137 OH2 TIP3 2943 -39.562 22.660 -28.676 1.00 0.00 WAT +ATOM 15138 H1 TIP3 2943 -39.471 23.274 -27.924 1.00 0.00 WAT +ATOM 15139 H2 TIP3 2943 -40.532 22.635 -28.778 1.00 0.00 WAT +ATOM 15140 OH2 TIP3 2944 -33.044 28.466 -36.944 1.00 0.00 WAT +ATOM 15141 H1 TIP3 2944 -32.533 28.746 -36.175 1.00 0.00 WAT +ATOM 15142 H2 TIP3 2944 -33.503 29.280 -37.203 1.00 0.00 WAT +ATOM 15143 OH2 TIP3 2945 -38.350 28.468 -27.000 1.00 0.00 WAT +ATOM 15144 H1 TIP3 2945 -38.431 28.533 -27.968 1.00 0.00 WAT +ATOM 15145 H2 TIP3 2945 -39.267 28.303 -26.716 1.00 0.00 WAT +ATOM 15146 OH2 TIP3 2946 -26.947 13.547 -40.737 1.00 0.00 WAT +ATOM 15147 H1 TIP3 2946 -27.859 13.755 -40.469 1.00 0.00 WAT +ATOM 15148 H2 TIP3 2946 -26.662 14.402 -41.095 1.00 0.00 WAT +ATOM 15149 OH2 TIP3 2947 -38.921 21.917 -38.660 1.00 0.00 WAT +ATOM 15150 H1 TIP3 2947 -39.172 22.701 -39.182 1.00 0.00 WAT +ATOM 15151 H2 TIP3 2947 -39.635 21.302 -38.882 1.00 0.00 WAT +ATOM 15152 OH2 TIP3 2948 -25.901 27.871 -42.506 1.00 0.00 WAT +ATOM 15153 H1 TIP3 2948 -25.574 28.667 -42.056 1.00 0.00 WAT +ATOM 15154 H2 TIP3 2948 -25.163 27.244 -42.418 1.00 0.00 WAT +ATOM 15155 OH2 TIP3 2949 -42.664 24.756 -30.099 1.00 0.00 WAT +ATOM 15156 H1 TIP3 2949 -42.880 24.429 -30.988 1.00 0.00 WAT +ATOM 15157 H2 TIP3 2949 -43.065 24.067 -29.541 1.00 0.00 WAT +ATOM 15158 OH2 TIP3 2950 -42.826 27.527 -33.114 1.00 0.00 WAT +ATOM 15159 H1 TIP3 2950 -41.958 27.145 -32.933 1.00 0.00 WAT +ATOM 15160 H2 TIP3 2950 -42.992 28.051 -32.322 1.00 0.00 WAT +ATOM 15161 OH2 TIP3 2951 -24.419 28.151 -27.161 1.00 0.00 WAT +ATOM 15162 H1 TIP3 2951 -24.524 27.209 -27.382 1.00 0.00 WAT +ATOM 15163 H2 TIP3 2951 -25.339 28.386 -26.908 1.00 0.00 WAT +ATOM 15164 OH2 TIP3 2952 -33.778 27.368 -28.395 1.00 0.00 WAT +ATOM 15165 H1 TIP3 2952 -33.698 28.194 -27.874 1.00 0.00 WAT +ATOM 15166 H2 TIP3 2952 -34.682 27.076 -28.164 1.00 0.00 WAT +ATOM 15167 OH2 TIP3 2953 -33.459 31.172 -38.465 1.00 0.00 WAT +ATOM 15168 H1 TIP3 2953 -33.477 31.281 -39.432 1.00 0.00 WAT +ATOM 15169 H2 TIP3 2953 -33.421 32.088 -38.146 1.00 0.00 WAT +ATOM 15170 OH2 TIP3 2954 -39.753 30.317 -36.790 1.00 0.00 WAT +ATOM 15171 H1 TIP3 2954 -39.535 29.902 -35.931 1.00 0.00 WAT +ATOM 15172 H2 TIP3 2954 -40.540 29.796 -37.026 1.00 0.00 WAT +ATOM 15173 OH2 TIP3 2955 -30.224 30.797 -41.367 1.00 0.00 WAT +ATOM 15174 H1 TIP3 2955 -29.787 30.211 -42.020 1.00 0.00 WAT +ATOM 15175 H2 TIP3 2955 -30.204 30.248 -40.566 1.00 0.00 WAT +ATOM 15176 OH2 TIP3 2956 -30.748 30.059 -38.617 1.00 0.00 WAT +ATOM 15177 H1 TIP3 2956 -31.684 30.227 -38.412 1.00 0.00 WAT +ATOM 15178 H2 TIP3 2956 -30.533 29.381 -37.958 1.00 0.00 WAT +ATOM 15179 OH2 TIP3 2957 -27.630 19.510 -26.781 1.00 0.00 WAT +ATOM 15180 H1 TIP3 2957 -28.155 19.911 -27.488 1.00 0.00 WAT +ATOM 15181 H2 TIP3 2957 -27.591 18.577 -27.068 1.00 0.00 WAT +ATOM 15182 OH2 TIP3 2958 -40.709 26.156 -28.627 1.00 0.00 WAT +ATOM 15183 H1 TIP3 2958 -40.421 25.587 -27.890 1.00 0.00 WAT +ATOM 15184 H2 TIP3 2958 -41.467 25.665 -29.014 1.00 0.00 WAT +ATOM 15185 OH2 TIP3 2959 -37.461 14.598 -32.904 1.00 0.00 WAT +ATOM 15186 H1 TIP3 2959 -38.293 14.524 -33.408 1.00 0.00 WAT +ATOM 15187 H2 TIP3 2959 -37.667 15.363 -32.345 1.00 0.00 WAT +ATOM 15188 OH2 TIP3 2960 -33.106 14.189 -29.229 1.00 0.00 WAT +ATOM 15189 H1 TIP3 2960 -32.637 13.677 -28.547 1.00 0.00 WAT +ATOM 15190 H2 TIP3 2960 -34.033 13.901 -29.123 1.00 0.00 WAT +ATOM 15191 OH2 TIP3 2961 -29.941 17.998 -28.728 1.00 0.00 WAT +ATOM 15192 H1 TIP3 2961 -30.546 17.845 -27.978 1.00 0.00 WAT +ATOM 15193 H2 TIP3 2961 -30.009 18.958 -28.876 1.00 0.00 WAT +ATOM 15194 OH2 TIP3 2962 -28.147 22.672 -42.509 1.00 0.00 WAT +ATOM 15195 H1 TIP3 2962 -28.604 22.521 -43.352 1.00 0.00 WAT +ATOM 15196 H2 TIP3 2962 -27.824 23.570 -42.661 1.00 0.00 WAT +ATOM 15197 OH2 TIP3 2963 -33.263 16.570 -42.150 1.00 0.00 WAT +ATOM 15198 H1 TIP3 2963 -33.844 16.648 -41.382 1.00 0.00 WAT +ATOM 15199 H2 TIP3 2963 -33.739 15.912 -42.670 1.00 0.00 WAT +ATOM 15200 OH2 TIP3 2964 -37.614 19.420 -31.487 1.00 0.00 WAT +ATOM 15201 H1 TIP3 2964 -38.199 19.537 -30.720 1.00 0.00 WAT +ATOM 15202 H2 TIP3 2964 -37.546 20.334 -31.840 1.00 0.00 WAT +ATOM 15203 OH2 TIP3 2965 -37.691 19.468 -36.603 1.00 0.00 WAT +ATOM 15204 H1 TIP3 2965 -38.648 19.435 -36.781 1.00 0.00 WAT +ATOM 15205 H2 TIP3 2965 -37.340 19.316 -37.502 1.00 0.00 WAT +ATOM 15206 OH2 TIP3 2966 -32.010 20.018 -37.870 1.00 0.00 WAT +ATOM 15207 H1 TIP3 2966 -32.401 20.863 -38.181 1.00 0.00 WAT +ATOM 15208 H2 TIP3 2966 -31.353 19.851 -38.568 1.00 0.00 WAT +ATOM 15209 OH2 TIP3 2967 -32.870 20.255 -26.477 1.00 0.00 WAT +ATOM 15210 H1 TIP3 2967 -33.382 19.507 -26.110 1.00 0.00 WAT +ATOM 15211 H2 TIP3 2967 -32.000 20.127 -26.054 1.00 0.00 WAT +ATOM 15212 OH2 TIP3 2968 -31.222 19.437 -35.050 1.00 0.00 WAT +ATOM 15213 H1 TIP3 2968 -31.489 20.031 -35.780 1.00 0.00 WAT +ATOM 15214 H2 TIP3 2968 -31.008 18.636 -35.570 1.00 0.00 WAT +ATOM 15215 OH2 TIP3 2969 -40.239 19.578 -29.648 1.00 0.00 WAT +ATOM 15216 H1 TIP3 2969 -39.972 19.959 -28.803 1.00 0.00 WAT +ATOM 15217 H2 TIP3 2969 -40.522 18.686 -29.382 1.00 0.00 WAT +ATOM 15218 OH2 TIP3 2970 -36.518 16.965 -43.101 1.00 0.00 WAT +ATOM 15219 H1 TIP3 2970 -36.908 16.705 -42.248 1.00 0.00 WAT +ATOM 15220 H2 TIP3 2970 -37.250 17.496 -43.477 1.00 0.00 WAT +ATOM 15221 OH2 TIP3 2971 -43.218 17.191 -35.969 1.00 0.00 WAT +ATOM 15222 H1 TIP3 2971 -43.048 16.922 -35.048 1.00 0.00 WAT +ATOM 15223 H2 TIP3 2971 -42.791 16.491 -36.468 1.00 0.00 WAT +ATOM 15224 OH2 TIP3 2972 -42.068 17.579 -40.236 1.00 0.00 WAT +ATOM 15225 H1 TIP3 2972 -41.454 17.871 -40.929 1.00 0.00 WAT +ATOM 15226 H2 TIP3 2972 -42.863 18.075 -40.452 1.00 0.00 WAT +ATOM 15227 OH2 TIP3 2973 -32.123 21.128 -30.592 1.00 0.00 WAT +ATOM 15228 H1 TIP3 2973 -31.671 20.406 -31.085 1.00 0.00 WAT +ATOM 15229 H2 TIP3 2973 -32.439 20.659 -29.808 1.00 0.00 WAT +ATOM 15230 OH2 TIP3 2974 -34.905 17.059 -35.579 1.00 0.00 WAT +ATOM 15231 H1 TIP3 2974 -35.850 17.042 -35.352 1.00 0.00 WAT +ATOM 15232 H2 TIP3 2974 -34.494 16.916 -34.710 1.00 0.00 WAT +ATOM 15233 OH2 TIP3 2975 -40.409 18.331 -36.932 1.00 0.00 WAT +ATOM 15234 H1 TIP3 2975 -41.123 18.551 -37.552 1.00 0.00 WAT +ATOM 15235 H2 TIP3 2975 -40.045 17.515 -37.322 1.00 0.00 WAT +ATOM 15236 OH2 TIP3 2976 -36.731 18.672 -39.234 1.00 0.00 WAT +ATOM 15237 H1 TIP3 2976 -35.764 18.757 -39.178 1.00 0.00 WAT +ATOM 15238 H2 TIP3 2976 -36.977 19.269 -39.964 1.00 0.00 WAT +ATOM 15239 OH2 TIP3 2977 -30.506 16.189 -32.560 1.00 0.00 WAT +ATOM 15240 H1 TIP3 2977 -31.138 16.227 -31.808 1.00 0.00 WAT +ATOM 15241 H2 TIP3 2977 -31.110 15.898 -33.265 1.00 0.00 WAT +ATOM 15242 OH2 TIP3 2978 -38.123 19.815 -41.582 1.00 0.00 WAT +ATOM 15243 H1 TIP3 2978 -38.744 19.340 -42.161 1.00 0.00 WAT +ATOM 15244 H2 TIP3 2978 -37.394 20.033 -42.182 1.00 0.00 WAT +ATOM 15245 OH2 TIP3 2979 -27.508 31.997 -25.892 1.00 0.00 WAT +ATOM 15246 H1 TIP3 2979 -27.289 32.456 -26.722 1.00 0.00 WAT +ATOM 15247 H2 TIP3 2979 -26.804 32.313 -25.301 1.00 0.00 WAT +ATOM 15248 OH2 TIP3 2980 -39.528 24.603 -26.470 1.00 0.00 WAT +ATOM 15249 H1 TIP3 2980 -38.901 24.652 -25.717 1.00 0.00 WAT +ATOM 15250 H2 TIP3 2980 -40.371 24.720 -25.982 1.00 0.00 WAT +ATOM 15251 OH2 TIP3 2981 -33.900 19.608 -33.756 1.00 0.00 WAT +ATOM 15252 H1 TIP3 2981 -33.139 19.205 -34.200 1.00 0.00 WAT +ATOM 15253 H2 TIP3 2981 -34.038 19.008 -32.997 1.00 0.00 WAT +ATOM 15254 OH2 TIP3 2982 -38.705 15.994 -37.525 1.00 0.00 WAT +ATOM 15255 H1 TIP3 2982 -39.145 15.135 -37.492 1.00 0.00 WAT +ATOM 15256 H2 TIP3 2982 -37.887 15.782 -37.995 1.00 0.00 WAT +ATOM 15257 OH2 TIP3 2983 -34.920 18.073 -31.494 1.00 0.00 WAT +ATOM 15258 H1 TIP3 2983 -35.687 18.670 -31.496 1.00 0.00 WAT +ATOM 15259 H2 TIP3 2983 -34.436 18.343 -30.687 1.00 0.00 WAT +ATOM 15260 OH2 TIP3 2984 -34.751 24.450 -39.598 1.00 0.00 WAT +ATOM 15261 H1 TIP3 2984 -35.534 23.981 -39.951 1.00 0.00 WAT +ATOM 15262 H2 TIP3 2984 -34.963 24.524 -38.638 1.00 0.00 WAT +ATOM 15263 OH2 TIP3 2985 -27.545 23.626 -30.870 1.00 0.00 WAT +ATOM 15264 H1 TIP3 2985 -27.049 24.180 -31.512 1.00 0.00 WAT +ATOM 15265 H2 TIP3 2985 -28.403 23.528 -31.328 1.00 0.00 WAT +ATOM 15266 OH2 TIP3 2986 -30.605 17.227 -41.819 1.00 0.00 WAT +ATOM 15267 H1 TIP3 2986 -31.584 17.233 -41.880 1.00 0.00 WAT +ATOM 15268 H2 TIP3 2986 -30.398 18.011 -41.272 1.00 0.00 WAT +ATOM 15269 OH2 TIP3 2987 -33.145 24.478 -28.282 1.00 0.00 WAT +ATOM 15270 H1 TIP3 2987 -33.433 24.175 -27.410 1.00 0.00 WAT +ATOM 15271 H2 TIP3 2987 -33.431 25.405 -28.287 1.00 0.00 WAT +ATOM 15272 OH2 TIP3 2988 -30.005 19.094 -39.878 1.00 0.00 WAT +ATOM 15273 H1 TIP3 2988 -29.135 18.927 -39.464 1.00 0.00 WAT +ATOM 15274 H2 TIP3 2988 -29.873 19.969 -40.288 1.00 0.00 WAT +ATOM 15275 OH2 TIP3 2989 -39.782 23.766 -33.911 1.00 0.00 WAT +ATOM 15276 H1 TIP3 2989 -39.096 23.713 -34.601 1.00 0.00 WAT +ATOM 15277 H2 TIP3 2989 -39.605 22.965 -33.389 1.00 0.00 WAT +ATOM 15278 OH2 TIP3 2990 -32.334 25.813 -40.689 1.00 0.00 WAT +ATOM 15279 H1 TIP3 2990 -32.617 26.700 -40.382 1.00 0.00 WAT +ATOM 15280 H2 TIP3 2990 -33.106 25.282 -40.418 1.00 0.00 WAT +ATOM 15281 OH2 TIP3 2991 -42.383 22.311 -28.235 1.00 0.00 WAT +ATOM 15282 H1 TIP3 2991 -42.308 21.657 -27.520 1.00 0.00 WAT +ATOM 15283 H2 TIP3 2991 -42.872 21.804 -28.924 1.00 0.00 WAT +ATOM 15284 OH2 TIP3 2992 -35.406 21.635 -26.528 1.00 0.00 WAT +ATOM 15285 H1 TIP3 2992 -35.754 21.389 -27.402 1.00 0.00 WAT +ATOM 15286 H2 TIP3 2992 -34.472 21.372 -26.625 1.00 0.00 WAT +ATOM 15287 OH2 TIP3 2993 -30.877 27.043 -28.807 1.00 0.00 WAT +ATOM 15288 H1 TIP3 2993 -31.840 27.158 -28.871 1.00 0.00 WAT +ATOM 15289 H2 TIP3 2993 -30.704 27.327 -27.894 1.00 0.00 WAT +ATOM 15290 OH2 TIP3 2994 -25.307 19.207 -39.989 1.00 0.00 WAT +ATOM 15291 H1 TIP3 2994 -25.926 19.015 -40.719 1.00 0.00 WAT +ATOM 15292 H2 TIP3 2994 -25.171 20.156 -40.169 1.00 0.00 WAT +ATOM 15293 OH2 TIP3 2995 -24.893 25.141 -27.229 1.00 0.00 WAT +ATOM 15294 H1 TIP3 2995 -25.824 25.375 -27.431 1.00 0.00 WAT +ATOM 15295 H2 TIP3 2995 -24.545 24.993 -28.130 1.00 0.00 WAT +ATOM 15296 OH2 TIP3 2996 -27.086 27.745 -39.924 1.00 0.00 WAT +ATOM 15297 H1 TIP3 2996 -27.346 26.980 -39.391 1.00 0.00 WAT +ATOM 15298 H2 TIP3 2996 -26.724 27.337 -40.724 1.00 0.00 WAT +ATOM 15299 OH2 TIP3 2997 -29.896 23.064 -32.556 1.00 0.00 WAT +ATOM 15300 H1 TIP3 2997 -30.828 22.919 -32.803 1.00 0.00 WAT +ATOM 15301 H2 TIP3 2997 -29.458 22.350 -33.059 1.00 0.00 WAT +ATOM 15302 OH2 TIP3 2998 -37.272 27.153 -36.508 1.00 0.00 WAT +ATOM 15303 H1 TIP3 2998 -36.860 28.022 -36.644 1.00 0.00 WAT +ATOM 15304 H2 TIP3 2998 -38.190 27.331 -36.752 1.00 0.00 WAT +ATOM 15305 OH2 TIP3 2999 -41.505 21.941 -41.635 1.00 0.00 WAT +ATOM 15306 H1 TIP3 2999 -40.784 22.566 -41.427 1.00 0.00 WAT +ATOM 15307 H2 TIP3 2999 -42.210 22.566 -41.866 1.00 0.00 WAT +ATOM 15308 OH2 TIP3 3000 -35.436 24.837 -36.915 1.00 0.00 WAT +ATOM 15309 H1 TIP3 3000 -35.714 25.752 -36.752 1.00 0.00 WAT +ATOM 15310 H2 TIP3 3000 -36.151 24.345 -36.483 1.00 0.00 WAT +ATOM 15311 OH2 TIP3 3001 -35.262 29.098 -30.549 1.00 0.00 WAT +ATOM 15312 H1 TIP3 3001 -34.710 29.846 -30.836 1.00 0.00 WAT +ATOM 15313 H2 TIP3 3001 -34.642 28.613 -29.982 1.00 0.00 WAT +ATOM 15314 OH2 TIP3 3002 -36.817 30.041 -37.327 1.00 0.00 WAT +ATOM 15315 H1 TIP3 3002 -37.773 30.182 -37.245 1.00 0.00 WAT +ATOM 15316 H2 TIP3 3002 -36.469 30.920 -37.080 1.00 0.00 WAT +ATOM 15317 OH2 TIP3 3003 -31.863 24.839 -30.988 1.00 0.00 WAT +ATOM 15318 H1 TIP3 3003 -32.137 24.579 -30.091 1.00 0.00 WAT +ATOM 15319 H2 TIP3 3003 -31.115 24.242 -31.152 1.00 0.00 WAT +ATOM 15320 OH2 TIP3 3004 -29.693 26.115 -41.943 1.00 0.00 WAT +ATOM 15321 H1 TIP3 3004 -29.208 25.680 -41.216 1.00 0.00 WAT +ATOM 15322 H2 TIP3 3004 -30.596 26.042 -41.596 1.00 0.00 WAT +ATOM 15323 OH2 TIP3 3005 -28.909 29.417 -28.592 1.00 0.00 WAT +ATOM 15324 H1 TIP3 3005 -29.671 28.977 -29.016 1.00 0.00 WAT +ATOM 15325 H2 TIP3 3005 -28.803 30.218 -29.139 1.00 0.00 WAT +ATOM 15326 OH2 TIP3 3006 -24.807 30.589 -41.599 1.00 0.00 WAT +ATOM 15327 H1 TIP3 3006 -24.106 31.261 -41.447 1.00 0.00 WAT +ATOM 15328 H2 TIP3 3006 -25.604 31.106 -41.357 1.00 0.00 WAT +ATOM 15329 OH2 TIP3 3007 -41.000 16.867 -28.873 1.00 0.00 WAT +ATOM 15330 H1 TIP3 3007 -41.860 17.239 -29.147 1.00 0.00 WAT +ATOM 15331 H2 TIP3 3007 -41.231 16.015 -28.462 1.00 0.00 WAT +ATOM 15332 OH2 TIP3 3008 -28.712 24.731 -39.681 1.00 0.00 WAT +ATOM 15333 H1 TIP3 3008 -28.972 24.032 -39.056 1.00 0.00 WAT +ATOM 15334 H2 TIP3 3008 -27.740 24.711 -39.600 1.00 0.00 WAT +ATOM 15335 OH2 TIP3 3009 -41.285 28.574 -30.455 1.00 0.00 WAT +ATOM 15336 H1 TIP3 3009 -41.088 27.633 -30.350 1.00 0.00 WAT +ATOM 15337 H2 TIP3 3009 -40.953 28.918 -29.618 1.00 0.00 WAT +ATOM 15338 OH2 TIP3 3010 -35.205 27.165 -43.272 1.00 0.00 WAT +ATOM 15339 H1 TIP3 3010 -34.824 26.311 -43.537 1.00 0.00 WAT +ATOM 15340 H2 TIP3 3010 -35.739 26.901 -42.497 1.00 0.00 WAT +ATOM 15341 OH2 TIP3 3011 -36.616 26.718 -40.783 1.00 0.00 WAT +ATOM 15342 H1 TIP3 3011 -36.133 26.206 -40.120 1.00 0.00 WAT +ATOM 15343 H2 TIP3 3011 -36.448 27.640 -40.501 1.00 0.00 WAT +ATOM 15344 OH2 TIP3 3012 -39.835 24.094 -40.382 1.00 0.00 WAT +ATOM 15345 H1 TIP3 3012 -40.583 24.491 -39.871 1.00 0.00 WAT +ATOM 15346 H2 TIP3 3012 -39.409 24.914 -40.678 1.00 0.00 WAT +ATOM 15347 OH2 TIP3 3013 -32.061 16.602 -30.374 1.00 0.00 WAT +ATOM 15348 H1 TIP3 3013 -31.490 16.910 -29.656 1.00 0.00 WAT +ATOM 15349 H2 TIP3 3013 -32.599 15.910 -29.943 1.00 0.00 WAT +ATOM 15350 OH2 TIP3 3014 -31.462 16.166 -39.209 1.00 0.00 WAT +ATOM 15351 H1 TIP3 3014 -31.216 16.687 -39.992 1.00 0.00 WAT +ATOM 15352 H2 TIP3 3014 -31.006 16.642 -38.496 1.00 0.00 WAT +ATOM 15353 OH2 TIP3 3015 -33.686 28.306 -40.281 1.00 0.00 WAT +ATOM 15354 H1 TIP3 3015 -34.471 28.818 -40.029 1.00 0.00 WAT +ATOM 15355 H2 TIP3 3015 -33.173 28.975 -40.753 1.00 0.00 WAT +ATOM 15356 OH2 TIP3 3016 -34.038 18.058 -38.150 1.00 0.00 WAT +ATOM 15357 H1 TIP3 3016 -33.277 18.663 -38.023 1.00 0.00 WAT +ATOM 15358 H2 TIP3 3016 -34.336 17.922 -37.231 1.00 0.00 WAT +ATOM 15359 OH2 TIP3 3017 -33.681 18.954 -28.997 1.00 0.00 WAT +ATOM 15360 H1 TIP3 3017 -33.655 19.501 -28.194 1.00 0.00 WAT +ATOM 15361 H2 TIP3 3017 -33.132 18.205 -28.735 1.00 0.00 WAT +ATOM 15362 OH2 TIP3 3018 -33.380 15.100 -37.214 1.00 0.00 WAT +ATOM 15363 H1 TIP3 3018 -33.635 15.806 -36.589 1.00 0.00 WAT +ATOM 15364 H2 TIP3 3018 -32.706 15.559 -37.753 1.00 0.00 WAT +ATOM 15365 OH2 TIP3 3019 -36.475 29.491 -40.246 1.00 0.00 WAT +ATOM 15366 H1 TIP3 3019 -36.453 30.341 -40.735 1.00 0.00 WAT +ATOM 15367 H2 TIP3 3019 -36.618 29.787 -39.330 1.00 0.00 WAT +ATOM 15368 OH2 TIP3 3020 -37.732 16.157 -40.735 1.00 0.00 WAT +ATOM 15369 H1 TIP3 3020 -37.713 16.936 -40.153 1.00 0.00 WAT +ATOM 15370 H2 TIP3 3020 -36.952 15.660 -40.422 1.00 0.00 WAT +ATOM 15371 OH2 TIP3 3021 -27.409 16.988 -28.106 1.00 0.00 WAT +ATOM 15372 H1 TIP3 3021 -28.366 17.118 -28.258 1.00 0.00 WAT +ATOM 15373 H2 TIP3 3021 -27.140 16.781 -29.012 1.00 0.00 WAT +ATOM 15374 OH2 TIP3 3022 -28.896 20.817 -34.087 1.00 0.00 WAT +ATOM 15375 H1 TIP3 3022 -29.720 20.369 -34.352 1.00 0.00 WAT +ATOM 15376 H2 TIP3 3022 -28.415 20.105 -33.614 1.00 0.00 WAT +ATOM 15377 OH2 TIP3 3023 -39.341 26.980 -41.521 1.00 0.00 WAT +ATOM 15378 H1 TIP3 3023 -38.505 27.284 -41.132 1.00 0.00 WAT +ATOM 15379 H2 TIP3 3023 -39.021 26.572 -42.341 1.00 0.00 WAT +ATOM 15380 OH2 TIP3 3024 -40.991 19.265 -42.673 1.00 0.00 WAT +ATOM 15381 H1 TIP3 3024 -41.031 20.165 -42.295 1.00 0.00 WAT +ATOM 15382 H2 TIP3 3024 -41.918 19.066 -42.879 1.00 0.00 WAT +ATOM 15383 OH2 TIP3 3025 -27.875 29.675 -32.691 1.00 0.00 WAT +ATOM 15384 H1 TIP3 3025 -28.050 30.490 -33.200 1.00 0.00 WAT +ATOM 15385 H2 TIP3 3025 -26.945 29.823 -32.452 1.00 0.00 WAT +ATOM 15386 OH2 TIP3 3026 -40.236 14.076 -33.747 1.00 0.00 WAT +ATOM 15387 H1 TIP3 3026 -40.574 14.093 -34.662 1.00 0.00 WAT +ATOM 15388 H2 TIP3 3026 -40.709 13.305 -33.376 1.00 0.00 WAT +ATOM 15389 OH2 TIP3 3027 -41.341 27.818 -37.445 1.00 0.00 WAT +ATOM 15390 H1 TIP3 3027 -42.273 28.089 -37.406 1.00 0.00 WAT +ATOM 15391 H2 TIP3 3027 -41.053 28.163 -38.299 1.00 0.00 WAT +ATOM 15392 OH2 TIP3 3028 -42.141 30.523 -26.234 1.00 0.00 WAT +ATOM 15393 H1 TIP3 3028 -41.510 30.530 -25.491 1.00 0.00 WAT +ATOM 15394 H2 TIP3 3028 -42.151 29.561 -26.378 1.00 0.00 WAT +ATOM 15395 OH2 TIP3 3029 -37.260 29.651 -24.503 1.00 0.00 WAT +ATOM 15396 H1 TIP3 3029 -36.572 29.001 -24.294 1.00 0.00 WAT +ATOM 15397 H2 TIP3 3029 -37.500 29.385 -25.404 1.00 0.00 WAT +ATOM 15398 OH2 TIP3 3030 -33.050 29.008 -43.319 1.00 0.00 WAT +ATOM 15399 H1 TIP3 3030 -33.861 28.464 -43.270 1.00 0.00 WAT +ATOM 15400 H2 TIP3 3030 -32.396 28.322 -43.519 1.00 0.00 WAT +ATOM 15401 OH2 TIP3 3031 -30.801 27.918 -25.928 1.00 0.00 WAT +ATOM 15402 H1 TIP3 3031 -31.189 27.108 -25.550 1.00 0.00 WAT +ATOM 15403 H2 TIP3 3031 -30.114 28.145 -25.277 1.00 0.00 WAT +ATOM 15404 OH2 TIP3 3032 -29.186 28.732 -42.890 1.00 0.00 WAT +ATOM 15405 H1 TIP3 3032 -28.951 27.911 -42.432 1.00 0.00 WAT +ATOM 15406 H2 TIP3 3032 -28.328 29.105 -43.158 1.00 0.00 WAT +ATOM 15407 OH2 TIP3 3033 -41.998 24.567 -25.610 1.00 0.00 WAT +ATOM 15408 H1 TIP3 3033 -41.898 23.679 -25.984 1.00 0.00 WAT +ATOM 15409 H2 TIP3 3033 -42.867 24.837 -25.941 1.00 0.00 WAT +ATOM 15410 OH2 TIP3 3034 -37.792 24.637 -43.147 1.00 0.00 WAT +ATOM 15411 H1 TIP3 3034 -37.525 24.134 -42.365 1.00 0.00 WAT +ATOM 15412 H2 TIP3 3034 -36.993 24.655 -43.695 1.00 0.00 WAT +ATOM 15413 OH2 TIP3 3035 -35.383 24.411 -25.824 1.00 0.00 WAT +ATOM 15414 H1 TIP3 3035 -35.691 24.745 -26.683 1.00 0.00 WAT +ATOM 15415 H2 TIP3 3035 -35.315 23.446 -25.978 1.00 0.00 WAT +ATOM 15416 OH2 TIP3 3036 -32.449 25.811 -43.476 1.00 0.00 WAT +ATOM 15417 H1 TIP3 3036 -32.298 25.932 -42.521 1.00 0.00 WAT +ATOM 15418 H2 TIP3 3036 -31.798 25.134 -43.710 1.00 0.00 WAT +ATOM 15419 OH2 TIP3 3037 -30.014 24.026 -28.437 1.00 0.00 WAT +ATOM 15420 H1 TIP3 3037 -29.233 24.568 -28.629 1.00 0.00 WAT +ATOM 15421 H2 TIP3 3037 -30.712 24.701 -28.449 1.00 0.00 WAT +ATOM 15422 OH2 TIP3 3038 -41.353 21.252 -25.836 1.00 0.00 WAT +ATOM 15423 H1 TIP3 3038 -40.538 20.728 -25.954 1.00 0.00 WAT +ATOM 15424 H2 TIP3 3038 -41.229 21.583 -24.933 1.00 0.00 WAT +ATOM 15425 OH2 TIP3 3039 -36.740 22.742 -40.906 1.00 0.00 WAT +ATOM 15426 H1 TIP3 3039 -37.356 22.282 -40.314 1.00 0.00 WAT +ATOM 15427 H2 TIP3 3039 -36.388 22.004 -41.440 1.00 0.00 WAT +ATOM 15428 OH2 TIP3 3040 -37.500 20.482 -28.561 1.00 0.00 WAT +ATOM 15429 H1 TIP3 3040 -38.050 21.266 -28.375 1.00 0.00 WAT +ATOM 15430 H2 TIP3 3040 -36.843 20.844 -29.182 1.00 0.00 WAT +ATOM 15431 OH2 TIP3 3041 -35.536 20.805 -42.724 1.00 0.00 WAT +ATOM 15432 H1 TIP3 3041 -35.514 20.600 -43.670 1.00 0.00 WAT +ATOM 15433 H2 TIP3 3041 -34.578 20.805 -42.512 1.00 0.00 WAT +ATOM 15434 OH2 TIP3 3042 -32.194 23.190 -25.002 1.00 0.00 WAT +ATOM 15435 H1 TIP3 3042 -31.297 23.002 -25.315 1.00 0.00 WAT +ATOM 15436 H2 TIP3 3042 -32.442 22.346 -24.600 1.00 0.00 WAT +ATOM 15437 OH2 TIP3 3043 -36.921 17.775 -27.415 1.00 0.00 WAT +ATOM 15438 H1 TIP3 3043 -36.836 17.121 -28.132 1.00 0.00 WAT +ATOM 15439 H2 TIP3 3043 -37.116 18.588 -27.912 1.00 0.00 WAT +ATOM 15440 OH2 TIP3 3044 -36.560 16.214 -29.978 1.00 0.00 WAT +ATOM 15441 H1 TIP3 3044 -36.048 16.770 -30.596 1.00 0.00 WAT +ATOM 15442 H2 TIP3 3044 -37.474 16.274 -30.327 1.00 0.00 WAT +ATOM 15443 OH2 TIP3 3045 -35.012 21.689 -29.569 1.00 0.00 WAT +ATOM 15444 H1 TIP3 3045 -34.171 21.623 -30.047 1.00 0.00 WAT +ATOM 15445 H2 TIP3 3045 -35.328 22.564 -29.868 1.00 0.00 WAT +ATOM 15446 OH2 TIP3 3046 -30.449 19.622 -24.790 1.00 0.00 WAT +ATOM 15447 H1 TIP3 3046 -30.220 18.692 -24.640 1.00 0.00 WAT +ATOM 15448 H2 TIP3 3046 -29.570 20.030 -24.840 1.00 0.00 WAT +ATOM 15449 OH2 TIP3 3047 -29.472 22.416 -26.295 1.00 0.00 WAT +ATOM 15450 H1 TIP3 3047 -29.822 23.030 -26.974 1.00 0.00 WAT +ATOM 15451 H2 TIP3 3047 -28.573 22.276 -26.655 1.00 0.00 WAT +ATOM 15452 OH2 TIP3 3048 -38.805 19.680 -25.662 1.00 0.00 WAT +ATOM 15453 H1 TIP3 3048 -39.303 18.843 -25.642 1.00 0.00 WAT +ATOM 15454 H2 TIP3 3048 -37.970 19.407 -26.072 1.00 0.00 WAT +ATOM 15455 OH2 TIP3 3049 -35.793 13.538 -29.704 1.00 0.00 WAT +ATOM 15456 H1 TIP3 3049 -35.977 14.494 -29.834 1.00 0.00 WAT +ATOM 15457 H2 TIP3 3049 -36.542 13.140 -30.187 1.00 0.00 WAT +ATOM 15458 OH2 TIP3 3050 -34.583 18.145 -25.826 1.00 0.00 WAT +ATOM 15459 H1 TIP3 3050 -34.924 17.928 -24.940 1.00 0.00 WAT +ATOM 15460 H2 TIP3 3050 -35.382 17.951 -26.357 1.00 0.00 WAT +ATOM 15461 OH2 TIP3 3051 -32.051 17.172 -26.977 1.00 0.00 WAT +ATOM 15462 H1 TIP3 3051 -32.925 17.244 -26.550 1.00 0.00 WAT +ATOM 15463 H2 TIP3 3051 -31.585 16.566 -26.367 1.00 0.00 WAT +ATOM 15464 OH2 TIP3 3052 -30.214 15.677 -25.237 1.00 0.00 WAT +ATOM 15465 H1 TIP3 3052 -30.354 14.722 -25.075 1.00 0.00 WAT +ATOM 15466 H2 TIP3 3052 -30.383 16.078 -24.364 1.00 0.00 WAT +ATOM 15467 OH2 TIP3 3053 -40.169 17.122 -25.802 1.00 0.00 WAT +ATOM 15468 H1 TIP3 3053 -40.148 16.390 -26.438 1.00 0.00 WAT +ATOM 15469 H2 TIP3 3053 -40.307 16.656 -24.954 1.00 0.00 WAT +ATOM 15470 OH2 TIP3 3054 -36.012 13.074 -26.805 1.00 0.00 WAT +ATOM 15471 H1 TIP3 3054 -35.434 12.296 -26.725 1.00 0.00 WAT +ATOM 15472 H2 TIP3 3054 -36.007 13.217 -27.768 1.00 0.00 WAT +ATOM 15473 OH2 TIP3 3055 -35.046 14.939 -24.971 1.00 0.00 WAT +ATOM 15474 H1 TIP3 3055 -35.375 14.332 -25.665 1.00 0.00 WAT +ATOM 15475 H2 TIP3 3055 -35.753 15.599 -24.913 1.00 0.00 WAT +ATOM 15476 OH2 TIP3 3056 -35.935 31.966 -41.722 1.00 0.00 WAT +ATOM 15477 H1 TIP3 3056 -34.984 32.125 -41.629 1.00 0.00 WAT +ATOM 15478 H2 TIP3 3056 -36.193 32.574 -42.434 1.00 0.00 WAT +ATOM 15479 OH2 TIP3 3057 -41.896 26.410 -42.328 1.00 0.00 WAT +ATOM 15480 H1 TIP3 3057 -41.024 26.617 -41.930 1.00 0.00 WAT +ATOM 15481 H2 TIP3 3057 -41.721 25.587 -42.798 1.00 0.00 WAT +ATOM 15482 OH2 TIP3 3058 -42.753 29.654 -35.236 1.00 0.00 WAT +ATOM 15483 H1 TIP3 3058 -42.771 28.757 -34.859 1.00 0.00 WAT +ATOM 15484 H2 TIP3 3058 -42.427 30.153 -34.474 1.00 0.00 WAT +ATOM 15485 OH2 TIP3 3059 -25.170 30.855 -32.183 1.00 0.00 WAT +ATOM 15486 H1 TIP3 3059 -24.977 30.831 -31.234 1.00 0.00 WAT +ATOM 15487 H2 TIP3 3059 -24.315 31.130 -32.545 1.00 0.00 WAT +ATOM 15488 OH2 TIP3 3060 -25.278 30.296 -29.302 1.00 0.00 WAT +ATOM 15489 H1 TIP3 3060 -25.761 29.536 -29.676 1.00 0.00 WAT +ATOM 15490 H2 TIP3 3060 -24.681 29.839 -28.690 1.00 0.00 WAT +ATOM 15491 OH2 TIP3 3061 -27.260 25.710 -25.014 1.00 0.00 WAT +ATOM 15492 H1 TIP3 3061 -28.149 25.806 -24.632 1.00 0.00 WAT +ATOM 15493 H2 TIP3 3061 -26.813 26.525 -24.732 1.00 0.00 WAT +ATOM 15494 OH2 TIP3 3062 -25.863 24.563 -39.302 1.00 0.00 WAT +ATOM 15495 H1 TIP3 3062 -24.966 24.930 -39.172 1.00 0.00 WAT +ATOM 15496 H2 TIP3 3062 -25.893 23.926 -38.562 1.00 0.00 WAT +ATOM 15497 OH2 TIP3 3063 -25.406 22.561 -37.320 1.00 0.00 WAT +ATOM 15498 H1 TIP3 3063 -26.067 22.001 -36.870 1.00 0.00 WAT +ATOM 15499 H2 TIP3 3063 -24.719 22.697 -36.639 1.00 0.00 WAT +ATOM 15500 OH2 TIP3 3064 -25.676 25.077 -32.336 1.00 0.00 WAT +ATOM 15501 H1 TIP3 3064 -25.053 24.601 -32.906 1.00 0.00 WAT +ATOM 15502 H2 TIP3 3064 -25.538 25.997 -32.624 1.00 0.00 WAT +ATOM 15503 OH2 TIP3 3065 -26.963 27.979 -30.084 1.00 0.00 WAT +ATOM 15504 H1 TIP3 3065 -27.691 28.407 -29.600 1.00 0.00 WAT +ATOM 15505 H2 TIP3 3065 -27.419 27.639 -30.879 1.00 0.00 WAT +ATOM 15506 OH2 TIP3 3066 -25.150 22.212 -41.063 1.00 0.00 WAT +ATOM 15507 H1 TIP3 3066 -25.738 22.530 -41.765 1.00 0.00 WAT +ATOM 15508 H2 TIP3 3066 -25.300 22.899 -40.392 1.00 0.00 WAT +ATOM 15509 OH2 TIP3 3067 -26.929 19.587 -42.183 1.00 0.00 WAT +ATOM 15510 H1 TIP3 3067 -26.627 20.374 -42.668 1.00 0.00 WAT +ATOM 15511 H2 TIP3 3067 -26.447 18.886 -42.632 1.00 0.00 WAT +ATOM 15512 OH2 TIP3 3068 -27.474 20.704 -36.500 1.00 0.00 WAT +ATOM 15513 H1 TIP3 3068 -27.556 19.751 -36.657 1.00 0.00 WAT +ATOM 15514 H2 TIP3 3068 -27.850 20.805 -35.604 1.00 0.00 WAT +ATOM 15515 OH2 TIP3 3069 -42.564 23.207 -32.534 1.00 0.00 WAT +ATOM 15516 H1 TIP3 3069 -42.221 23.449 -33.406 1.00 0.00 WAT +ATOM 15517 H2 TIP3 3069 -41.767 22.796 -32.131 1.00 0.00 WAT +ATOM 15518 OH2 TIP3 3070 -26.863 22.637 -27.356 1.00 0.00 WAT +ATOM 15519 H1 TIP3 3070 -26.116 22.035 -27.181 1.00 0.00 WAT +ATOM 15520 H2 TIP3 3070 -26.417 23.472 -27.556 1.00 0.00 WAT +ATOM 15521 OH2 TIP3 3071 -25.301 20.741 -26.127 1.00 0.00 WAT +ATOM 15522 H1 TIP3 3071 -26.098 20.216 -26.359 1.00 0.00 WAT +ATOM 15523 H2 TIP3 3071 -24.603 20.061 -26.168 1.00 0.00 WAT +ATOM 15524 OH2 TIP3 3072 -27.653 16.331 -43.388 1.00 0.00 WAT +ATOM 15525 H1 TIP3 3072 -27.095 16.251 -42.610 1.00 0.00 WAT +ATOM 15526 H2 TIP3 3072 -28.545 16.093 -43.092 1.00 0.00 WAT +ATOM 15527 OH2 TIP3 3073 -27.674 18.240 -38.362 1.00 0.00 WAT +ATOM 15528 H1 TIP3 3073 -27.382 17.304 -38.286 1.00 0.00 WAT +ATOM 15529 H2 TIP3 3073 -26.866 18.643 -38.723 1.00 0.00 WAT +ATOM 15530 OH2 TIP3 3074 -27.369 18.811 -32.888 1.00 0.00 WAT +ATOM 15531 H1 TIP3 3074 -26.398 18.927 -32.925 1.00 0.00 WAT +ATOM 15532 H2 TIP3 3074 -27.506 18.865 -31.926 1.00 0.00 WAT +ATOM 15533 OH2 TIP3 3075 -27.209 19.513 -30.079 1.00 0.00 WAT +ATOM 15534 H1 TIP3 3075 -28.055 19.911 -29.799 1.00 0.00 WAT +ATOM 15535 H2 TIP3 3075 -26.675 20.306 -30.280 1.00 0.00 WAT +ATOM 15536 OH2 TIP3 3076 -42.849 18.154 -26.470 1.00 0.00 WAT +ATOM 15537 H1 TIP3 3076 -41.954 17.777 -26.431 1.00 0.00 WAT +ATOM 15538 H2 TIP3 3076 -43.427 17.409 -26.253 1.00 0.00 WAT +ATOM 15539 OH2 TIP3 3077 -24.623 13.680 -24.763 1.00 0.00 WAT +ATOM 15540 H1 TIP3 3077 -24.229 12.974 -25.310 1.00 0.00 WAT +ATOM 15541 H2 TIP3 3077 -24.612 14.441 -25.374 1.00 0.00 WAT +ATOM 15542 OH2 TIP3 3078 -27.054 15.531 -38.287 1.00 0.00 WAT +ATOM 15543 H1 TIP3 3078 -26.971 15.142 -37.398 1.00 0.00 WAT +ATOM 15544 H2 TIP3 3078 -27.840 15.050 -38.629 1.00 0.00 WAT +ATOM 15545 OH2 TIP3 3079 -41.948 16.709 -33.285 1.00 0.00 WAT +ATOM 15546 H1 TIP3 3079 -41.593 15.810 -33.317 1.00 0.00 WAT +ATOM 15547 H2 TIP3 3079 -41.154 17.245 -33.111 1.00 0.00 WAT +ATOM 15548 OH2 TIP3 3080 -43.339 19.330 -32.450 1.00 0.00 WAT +ATOM 15549 H1 TIP3 3080 -42.940 18.824 -33.172 1.00 0.00 WAT +ATOM 15550 H2 TIP3 3080 -43.165 20.237 -32.725 1.00 0.00 WAT +ATOM 15551 OH2 TIP3 3081 -25.270 15.705 -26.544 1.00 0.00 WAT +ATOM 15552 H1 TIP3 3081 -26.150 16.121 -26.493 1.00 0.00 WAT +ATOM 15553 H2 TIP3 3081 -25.383 15.165 -27.345 1.00 0.00 WAT +ATOM 15554 OH2 TIP3 3082 -25.116 15.863 -41.747 1.00 0.00 WAT +ATOM 15555 H1 TIP3 3082 -24.862 15.179 -42.377 1.00 0.00 WAT +ATOM 15556 H2 TIP3 3082 -24.299 16.388 -41.698 1.00 0.00 WAT +ATOM 15557 OH2 TIP3 3083 -43.144 15.454 -38.945 1.00 0.00 WAT +ATOM 15558 H1 TIP3 3083 -43.988 15.761 -39.307 1.00 0.00 WAT +ATOM 15559 H2 TIP3 3083 -42.548 16.152 -39.301 1.00 0.00 WAT +ATOM 15560 OH2 TIP3 3084 -28.283 30.855 -36.407 1.00 0.00 WAT +ATOM 15561 H1 TIP3 3084 -27.790 30.620 -37.209 1.00 0.00 WAT +ATOM 15562 H2 TIP3 3084 -27.600 31.278 -35.872 1.00 0.00 WAT +ATOM 15563 OH2 TIP3 3085 -42.913 14.385 -30.586 1.00 0.00 WAT +ATOM 15564 H1 TIP3 3085 -43.593 14.321 -29.875 1.00 0.00 WAT +ATOM 15565 H2 TIP3 3085 -43.338 14.913 -31.279 1.00 0.00 WAT +ATOM 15566 OH2 TIP3 3086 -41.176 27.944 -25.891 1.00 0.00 WAT +ATOM 15567 H1 TIP3 3086 -41.693 27.318 -26.407 1.00 0.00 WAT +ATOM 15568 H2 TIP3 3086 -41.329 27.607 -24.978 1.00 0.00 WAT +ATOM 15569 OH2 TIP3 3087 -38.018 28.601 -29.974 1.00 0.00 WAT +ATOM 15570 H1 TIP3 3087 -38.334 29.437 -30.362 1.00 0.00 WAT +ATOM 15571 H2 TIP3 3087 -37.061 28.690 -30.158 1.00 0.00 WAT +ATOM 15572 OH2 TIP3 3088 -33.516 29.885 -26.987 1.00 0.00 WAT +ATOM 15573 H1 TIP3 3088 -33.368 29.731 -26.040 1.00 0.00 WAT +ATOM 15574 H2 TIP3 3088 -32.690 30.346 -27.242 1.00 0.00 WAT +ATOM 15575 OH2 TIP3 3089 -31.236 31.346 -27.743 1.00 0.00 WAT +ATOM 15576 H1 TIP3 3089 -30.540 30.714 -27.976 1.00 0.00 WAT +ATOM 15577 H2 TIP3 3089 -30.924 31.661 -26.873 1.00 0.00 WAT +ATOM 15578 OH2 TIP3 3090 -26.485 13.923 -28.583 1.00 0.00 WAT +ATOM 15579 H1 TIP3 3090 -27.223 14.204 -29.149 1.00 0.00 WAT +ATOM 15580 H2 TIP3 3090 -26.262 13.035 -28.935 1.00 0.00 WAT +ATOM 15581 OH2 TIP3 3091 -40.696 31.645 -29.739 1.00 0.00 WAT +ATOM 15582 H1 TIP3 3091 -41.370 32.157 -30.224 1.00 0.00 WAT +ATOM 15583 H2 TIP3 3091 -41.011 31.733 -28.833 1.00 0.00 WAT +ATOM 15584 OH2 TIP3 3092 -38.181 31.315 -31.099 1.00 0.00 WAT +ATOM 15585 H1 TIP3 3092 -39.047 31.507 -30.686 1.00 0.00 WAT +ATOM 15586 H2 TIP3 3092 -38.143 31.985 -31.805 1.00 0.00 WAT +ATOM 15587 OH2 TIP3 3093 -33.418 31.311 -31.549 1.00 0.00 WAT +ATOM 15588 H1 TIP3 3093 -33.789 31.757 -32.331 1.00 0.00 WAT +ATOM 15589 H2 TIP3 3093 -33.325 32.058 -30.929 1.00 0.00 WAT +ATOM 15590 OH2 TIP3 3094 -31.084 30.021 -30.628 1.00 0.00 WAT +ATOM 15591 H1 TIP3 3094 -31.925 30.390 -30.960 1.00 0.00 WAT +ATOM 15592 H2 TIP3 3094 -30.509 30.800 -30.657 1.00 0.00 WAT +ATOM 15593 OH2 TIP3 3095 -28.560 31.753 -30.449 1.00 0.00 WAT +ATOM 15594 H1 TIP3 3095 -28.594 32.708 -30.656 1.00 0.00 WAT +ATOM 15595 H2 TIP3 3095 -28.259 31.400 -31.303 1.00 0.00 WAT +ATOM 15596 OH2 TIP3 3096 -41.249 30.405 -32.761 1.00 0.00 WAT +ATOM 15597 H1 TIP3 3096 -41.335 29.947 -31.900 1.00 0.00 WAT +ATOM 15598 H2 TIP3 3096 -40.494 29.927 -33.151 1.00 0.00 WAT +ATOM 15599 OH2 TIP3 3097 -39.104 29.138 -34.242 1.00 0.00 WAT +ATOM 15600 H1 TIP3 3097 -39.260 28.209 -33.977 1.00 0.00 WAT +ATOM 15601 H2 TIP3 3097 -38.194 29.288 -33.923 1.00 0.00 WAT +ATOM 15602 OH2 TIP3 3098 -36.300 29.559 -33.395 1.00 0.00 WAT +ATOM 15603 H1 TIP3 3098 -36.119 28.631 -33.622 1.00 0.00 WAT +ATOM 15604 H2 TIP3 3098 -36.235 29.523 -32.428 1.00 0.00 WAT +ATOM 15605 OH2 TIP3 3099 -32.949 15.455 -34.069 1.00 0.00 WAT +ATOM 15606 H1 TIP3 3099 -33.623 14.776 -33.882 1.00 0.00 WAT +ATOM 15607 H2 TIP3 3099 -32.390 15.012 -34.724 1.00 0.00 WAT +ATOM 15608 OH2 TIP3 3100 -28.012 13.443 -33.688 1.00 0.00 WAT +ATOM 15609 H1 TIP3 3100 -27.242 13.916 -34.052 1.00 0.00 WAT +ATOM 15610 H2 TIP3 3100 -28.750 13.815 -34.202 1.00 0.00 WAT +ATOM 15611 OH2 TIP3 3101 -25.952 14.561 -35.761 1.00 0.00 WAT +ATOM 15612 H1 TIP3 3101 -25.229 14.142 -36.263 1.00 0.00 WAT +ATOM 15613 H2 TIP3 3101 -25.619 15.478 -35.673 1.00 0.00 WAT +ATOM 15614 OH2 TIP3 3102 -41.066 14.025 -36.539 1.00 0.00 WAT +ATOM 15615 H1 TIP3 3102 -41.794 13.763 -37.117 1.00 0.00 WAT +ATOM 15616 H2 TIP3 3102 -40.452 13.278 -36.658 1.00 0.00 WAT +ATOM 15617 OH2 TIP3 3103 -41.799 13.680 -40.804 1.00 0.00 WAT +ATOM 15618 H1 TIP3 3103 -41.303 14.338 -41.337 1.00 0.00 WAT +ATOM 15619 H2 TIP3 3103 -42.289 14.264 -40.198 1.00 0.00 WAT +ATOM 15620 OH2 TIP3 3104 -36.140 13.964 -36.597 1.00 0.00 WAT +ATOM 15621 H1 TIP3 3104 -35.232 14.268 -36.750 1.00 0.00 WAT +ATOM 15622 H2 TIP3 3104 -36.152 13.861 -35.640 1.00 0.00 WAT +ATOM 15623 OH2 TIP3 3105 -30.505 14.020 -35.212 1.00 0.00 WAT +ATOM 15624 H1 TIP3 3105 -30.324 13.944 -36.157 1.00 0.00 WAT +ATOM 15625 H2 TIP3 3105 -30.936 13.168 -35.007 1.00 0.00 WAT +ATOM 15626 OH2 TIP3 3106 -29.356 14.333 -39.151 1.00 0.00 WAT +ATOM 15627 H1 TIP3 3106 -30.109 14.874 -39.458 1.00 0.00 WAT +ATOM 15628 H2 TIP3 3106 -29.786 13.461 -39.184 1.00 0.00 WAT +ATOM 15629 OH2 TIP3 3107 -41.795 29.791 -39.821 1.00 0.00 WAT +ATOM 15630 H1 TIP3 3107 -42.533 29.640 -40.427 1.00 0.00 WAT +ATOM 15631 H2 TIP3 3107 -41.903 30.725 -39.627 1.00 0.00 WAT +ATOM 15632 OH2 TIP3 3108 -40.112 15.464 -42.312 1.00 0.00 WAT +ATOM 15633 H1 TIP3 3108 -39.573 14.849 -42.826 1.00 0.00 WAT +ATOM 15634 H2 TIP3 3108 -39.434 15.911 -41.774 1.00 0.00 WAT +ATOM 15635 OH2 TIP3 3109 -35.037 15.629 -39.585 1.00 0.00 WAT +ATOM 15636 H1 TIP3 3109 -34.648 15.071 -38.896 1.00 0.00 WAT +ATOM 15637 H2 TIP3 3109 -34.772 16.506 -39.263 1.00 0.00 WAT +ATOM 15638 OH2 TIP3 3110 -32.970 31.236 -41.448 1.00 0.00 WAT +ATOM 15639 H1 TIP3 3110 -31.999 31.372 -41.497 1.00 0.00 WAT +ATOM 15640 H2 TIP3 3110 -33.086 30.641 -42.212 1.00 0.00 WAT +ATOM 15641 OH2 TIP3 3111 -26.360 30.440 -38.840 1.00 0.00 WAT +ATOM 15642 H1 TIP3 3111 -26.652 29.608 -39.266 1.00 0.00 WAT +ATOM 15643 H2 TIP3 3111 -26.568 31.103 -39.529 1.00 0.00 WAT +ATOM 15644 OH2 TIP3 3112 -40.774 14.384 -27.065 1.00 0.00 WAT +ATOM 15645 H1 TIP3 3112 -41.243 13.656 -26.624 1.00 0.00 WAT +ATOM 15646 H2 TIP3 3112 -39.873 14.259 -26.716 1.00 0.00 WAT +ATOM 15647 OH2 TIP3 3113 -38.455 13.776 -25.289 1.00 0.00 WAT +ATOM 15648 H1 TIP3 3113 -37.627 13.415 -25.664 1.00 0.00 WAT +ATOM 15649 H2 TIP3 3113 -38.781 12.999 -24.798 1.00 0.00 WAT +ATOM 15650 OH2 TIP3 3114 -39.673 30.652 -42.500 1.00 0.00 WAT +ATOM 15651 H1 TIP3 3114 -40.199 30.968 -41.758 1.00 0.00 WAT +ATOM 15652 H2 TIP3 3114 -39.174 29.918 -42.132 1.00 0.00 WAT +ATOM 15653 OH2 TIP3 3115 -30.329 12.877 -25.163 1.00 0.00 WAT +ATOM 15654 H1 TIP3 3115 -30.324 12.445 -24.288 1.00 0.00 WAT +ATOM 15655 H2 TIP3 3115 -29.380 12.856 -25.390 1.00 0.00 WAT +ATOM 15656 OH2 TIP3 3116 -26.961 29.217 -26.392 1.00 0.00 WAT +ATOM 15657 H1 TIP3 3116 -27.684 29.043 -27.021 1.00 0.00 WAT +ATOM 15658 H2 TIP3 3116 -27.106 30.165 -26.209 1.00 0.00 WAT +ATOM 15659 OH2 TIP3 3117 -12.728 22.929 -36.316 1.00 0.00 WAT +ATOM 15660 H1 TIP3 3117 -12.770 23.879 -36.126 1.00 0.00 WAT +ATOM 15661 H2 TIP3 3117 -13.525 22.797 -36.847 1.00 0.00 WAT +ATOM 15662 OH2 TIP3 3118 -13.852 22.326 -33.225 1.00 0.00 WAT +ATOM 15663 H1 TIP3 3118 -13.903 21.801 -32.410 1.00 0.00 WAT +ATOM 15664 H2 TIP3 3118 -14.185 21.699 -33.883 1.00 0.00 WAT +ATOM 15665 OH2 TIP3 3119 -21.411 21.920 -31.528 1.00 0.00 WAT +ATOM 15666 H1 TIP3 3119 -21.421 21.184 -30.889 1.00 0.00 WAT +ATOM 15667 H2 TIP3 3119 -20.709 22.478 -31.164 1.00 0.00 WAT +ATOM 15668 OH2 TIP3 3120 -10.187 25.061 -34.884 1.00 0.00 WAT +ATOM 15669 H1 TIP3 3120 -10.591 24.381 -34.328 1.00 0.00 WAT +ATOM 15670 H2 TIP3 3120 -9.966 25.731 -34.222 1.00 0.00 WAT +ATOM 15671 OH2 TIP3 3121 -20.776 26.543 -32.987 1.00 0.00 WAT +ATOM 15672 H1 TIP3 3121 -20.988 25.629 -33.269 1.00 0.00 WAT +ATOM 15673 H2 TIP3 3121 -19.819 26.456 -32.845 1.00 0.00 WAT +ATOM 15674 OH2 TIP3 3122 -23.769 19.953 -37.622 1.00 0.00 WAT +ATOM 15675 H1 TIP3 3122 -24.151 20.839 -37.522 1.00 0.00 WAT +ATOM 15676 H2 TIP3 3122 -24.474 19.491 -38.095 1.00 0.00 WAT +ATOM 15677 OH2 TIP3 3123 -22.971 22.417 -35.791 1.00 0.00 WAT +ATOM 15678 H1 TIP3 3123 -22.806 21.594 -35.293 1.00 0.00 WAT +ATOM 15679 H2 TIP3 3123 -22.125 22.550 -36.239 1.00 0.00 WAT +ATOM 15680 OH2 TIP3 3124 -12.944 30.568 -34.148 1.00 0.00 WAT +ATOM 15681 H1 TIP3 3124 -12.841 29.825 -34.767 1.00 0.00 WAT +ATOM 15682 H2 TIP3 3124 -13.348 30.124 -33.393 1.00 0.00 WAT +ATOM 15683 OH2 TIP3 3125 -15.406 24.835 -32.624 1.00 0.00 WAT +ATOM 15684 H1 TIP3 3125 -15.068 24.140 -33.212 1.00 0.00 WAT +ATOM 15685 H2 TIP3 3125 -14.594 25.010 -32.110 1.00 0.00 WAT +ATOM 15686 OH2 TIP3 3126 -6.693 16.373 -32.027 1.00 0.00 WAT +ATOM 15687 H1 TIP3 3126 -6.480 16.971 -31.290 1.00 0.00 WAT +ATOM 15688 H2 TIP3 3126 -6.096 16.714 -32.716 1.00 0.00 WAT +ATOM 15689 OH2 TIP3 3127 -12.098 19.180 -32.121 1.00 0.00 WAT +ATOM 15690 H1 TIP3 3127 -11.965 18.218 -32.083 1.00 0.00 WAT +ATOM 15691 H2 TIP3 3127 -12.200 19.320 -33.076 1.00 0.00 WAT +ATOM 15692 OH2 TIP3 3128 -19.136 17.198 -35.051 1.00 0.00 WAT +ATOM 15693 H1 TIP3 3128 -18.996 18.054 -35.503 1.00 0.00 WAT +ATOM 15694 H2 TIP3 3128 -19.496 16.678 -35.794 1.00 0.00 WAT +ATOM 15695 OH2 TIP3 3129 -11.304 17.352 -36.740 1.00 0.00 WAT +ATOM 15696 H1 TIP3 3129 -10.724 16.922 -36.075 1.00 0.00 WAT +ATOM 15697 H2 TIP3 3129 -10.645 17.790 -37.298 1.00 0.00 WAT +ATOM 15698 OH2 TIP3 3130 -22.453 19.918 -34.534 1.00 0.00 WAT +ATOM 15699 H1 TIP3 3130 -21.814 19.449 -33.973 1.00 0.00 WAT +ATOM 15700 H2 TIP3 3130 -22.358 19.442 -35.378 1.00 0.00 WAT +ATOM 15701 OH2 TIP3 3131 -17.056 21.316 -35.092 1.00 0.00 WAT +ATOM 15702 H1 TIP3 3131 -16.365 20.759 -34.684 1.00 0.00 WAT +ATOM 15703 H2 TIP3 3131 -17.571 20.652 -35.586 1.00 0.00 WAT +ATOM 15704 OH2 TIP3 3132 -6.026 17.742 -29.523 1.00 0.00 WAT +ATOM 15705 H1 TIP3 3132 -6.624 18.461 -29.797 1.00 0.00 WAT +ATOM 15706 H2 TIP3 3132 -6.189 17.727 -28.571 1.00 0.00 WAT +ATOM 15707 OH2 TIP3 3133 -20.329 15.985 -30.882 1.00 0.00 WAT +ATOM 15708 H1 TIP3 3133 -20.726 16.486 -31.610 1.00 0.00 WAT +ATOM 15709 H2 TIP3 3133 -20.994 16.132 -30.179 1.00 0.00 WAT +ATOM 15710 OH2 TIP3 3134 -12.811 25.933 -37.527 1.00 0.00 WAT +ATOM 15711 H1 TIP3 3134 -13.275 25.613 -38.304 1.00 0.00 WAT +ATOM 15712 H2 TIP3 3134 -13.341 26.702 -37.266 1.00 0.00 WAT +ATOM 15713 OH2 TIP3 3135 -17.404 23.868 -30.757 1.00 0.00 WAT +ATOM 15714 H1 TIP3 3135 -18.134 24.474 -30.507 1.00 0.00 WAT +ATOM 15715 H2 TIP3 3135 -16.786 24.472 -31.210 1.00 0.00 WAT +ATOM 15716 OH2 TIP3 3136 -9.461 16.618 -34.703 1.00 0.00 WAT +ATOM 15717 H1 TIP3 3136 -9.846 16.004 -34.064 1.00 0.00 WAT +ATOM 15718 H2 TIP3 3136 -8.945 17.207 -34.127 1.00 0.00 WAT +ATOM 15719 OH2 TIP3 3137 -20.735 18.029 -32.945 1.00 0.00 WAT +ATOM 15720 H1 TIP3 3137 -20.092 18.613 -32.490 1.00 0.00 WAT +ATOM 15721 H2 TIP3 3137 -20.162 17.664 -33.656 1.00 0.00 WAT +ATOM 15722 OH2 TIP3 3138 -19.421 25.733 -30.017 1.00 0.00 WAT +ATOM 15723 H1 TIP3 3138 -19.437 26.638 -30.379 1.00 0.00 WAT +ATOM 15724 H2 TIP3 3138 -20.292 25.716 -29.576 1.00 0.00 WAT +ATOM 15725 OH2 TIP3 3139 -23.120 25.468 -39.171 1.00 0.00 WAT +ATOM 15726 H1 TIP3 3139 -23.290 25.910 -40.025 1.00 0.00 WAT +ATOM 15727 H2 TIP3 3139 -22.938 26.212 -38.560 1.00 0.00 WAT +ATOM 15728 OH2 TIP3 3140 -9.647 26.890 -32.401 1.00 0.00 WAT +ATOM 15729 H1 TIP3 3140 -10.618 27.013 -32.356 1.00 0.00 WAT +ATOM 15730 H2 TIP3 3140 -9.380 27.763 -32.744 1.00 0.00 WAT +ATOM 15731 OH2 TIP3 3141 -9.307 15.778 -30.863 1.00 0.00 WAT +ATOM 15732 H1 TIP3 3141 -10.087 16.154 -31.315 1.00 0.00 WAT +ATOM 15733 H2 TIP3 3141 -8.597 15.945 -31.509 1.00 0.00 WAT +ATOM 15734 OH2 TIP3 3142 -16.198 13.477 -33.809 1.00 0.00 WAT +ATOM 15735 H1 TIP3 3142 -16.434 12.531 -33.857 1.00 0.00 WAT +ATOM 15736 H2 TIP3 3142 -17.021 13.866 -33.443 1.00 0.00 WAT +ATOM 15737 OH2 TIP3 3143 -11.382 28.749 -35.934 1.00 0.00 WAT +ATOM 15738 H1 TIP3 3143 -10.814 28.037 -36.268 1.00 0.00 WAT +ATOM 15739 H2 TIP3 3143 -10.777 29.510 -35.919 1.00 0.00 WAT +ATOM 15740 OH2 TIP3 3144 -9.794 26.599 -37.300 1.00 0.00 WAT +ATOM 15741 H1 TIP3 3144 -10.513 26.251 -37.846 1.00 0.00 WAT +ATOM 15742 H2 TIP3 3144 -9.910 26.075 -36.484 1.00 0.00 WAT +ATOM 15743 OH2 TIP3 3145 -8.331 25.510 -28.703 1.00 0.00 WAT +ATOM 15744 H1 TIP3 3145 -8.471 24.886 -29.437 1.00 0.00 WAT +ATOM 15745 H2 TIP3 3145 -8.264 26.364 -29.174 1.00 0.00 WAT +ATOM 15746 OH2 TIP3 3146 -14.064 22.388 -39.049 1.00 0.00 WAT +ATOM 15747 H1 TIP3 3146 -14.744 23.019 -39.360 1.00 0.00 WAT +ATOM 15748 H2 TIP3 3146 -13.363 22.508 -39.706 1.00 0.00 WAT +ATOM 15749 OH2 TIP3 3147 -13.888 20.653 -42.075 1.00 0.00 WAT +ATOM 15750 H1 TIP3 3147 -13.219 20.953 -41.438 1.00 0.00 WAT +ATOM 15751 H2 TIP3 3147 -13.343 20.040 -42.617 1.00 0.00 WAT +ATOM 15752 OH2 TIP3 3148 -6.600 21.704 -30.765 1.00 0.00 WAT +ATOM 15753 H1 TIP3 3148 -7.336 22.343 -30.680 1.00 0.00 WAT +ATOM 15754 H2 TIP3 3148 -6.137 22.059 -31.548 1.00 0.00 WAT +ATOM 15755 OH2 TIP3 3149 -10.572 22.426 -37.945 1.00 0.00 WAT +ATOM 15756 H1 TIP3 3149 -11.273 22.647 -37.288 1.00 0.00 WAT +ATOM 15757 H2 TIP3 3149 -10.004 21.844 -37.411 1.00 0.00 WAT +ATOM 15758 OH2 TIP3 3150 -10.750 20.955 -29.095 1.00 0.00 WAT +ATOM 15759 H1 TIP3 3150 -10.691 21.778 -28.581 1.00 0.00 WAT +ATOM 15760 H2 TIP3 3150 -11.393 21.250 -29.766 1.00 0.00 WAT +ATOM 15761 OH2 TIP3 3151 -19.009 23.183 -36.147 1.00 0.00 WAT +ATOM 15762 H1 TIP3 3151 -19.299 22.761 -36.978 1.00 0.00 WAT +ATOM 15763 H2 TIP3 3151 -18.325 22.567 -35.833 1.00 0.00 WAT +ATOM 15764 OH2 TIP3 3152 -17.714 26.501 -33.389 1.00 0.00 WAT +ATOM 15765 H1 TIP3 3152 -17.718 26.280 -34.330 1.00 0.00 WAT +ATOM 15766 H2 TIP3 3152 -16.860 26.133 -33.097 1.00 0.00 WAT +ATOM 15767 OH2 TIP3 3153 -18.384 21.983 -32.655 1.00 0.00 WAT +ATOM 15768 H1 TIP3 3153 -17.832 22.052 -33.457 1.00 0.00 WAT +ATOM 15769 H2 TIP3 3153 -18.016 22.685 -32.084 1.00 0.00 WAT +ATOM 15770 OH2 TIP3 3154 -12.407 27.488 -32.070 1.00 0.00 WAT +ATOM 15771 H1 TIP3 3154 -12.444 28.199 -31.407 1.00 0.00 WAT +ATOM 15772 H2 TIP3 3154 -12.681 26.697 -31.575 1.00 0.00 WAT +ATOM 15773 OH2 TIP3 3155 -17.576 26.285 -27.812 1.00 0.00 WAT +ATOM 15774 H1 TIP3 3155 -18.064 26.989 -27.345 1.00 0.00 WAT +ATOM 15775 H2 TIP3 3155 -18.203 26.067 -28.528 1.00 0.00 WAT +ATOM 15776 OH2 TIP3 3156 -11.496 21.867 -40.564 1.00 0.00 WAT +ATOM 15777 H1 TIP3 3156 -11.094 22.140 -39.712 1.00 0.00 WAT +ATOM 15778 H2 TIP3 3156 -10.909 22.320 -41.197 1.00 0.00 WAT +ATOM 15779 OH2 TIP3 3157 -20.622 22.689 -28.692 1.00 0.00 WAT +ATOM 15780 H1 TIP3 3157 -20.566 23.302 -27.935 1.00 0.00 WAT +ATOM 15781 H2 TIP3 3157 -21.585 22.597 -28.791 1.00 0.00 WAT +ATOM 15782 OH2 TIP3 3158 -19.444 28.469 -27.032 1.00 0.00 WAT +ATOM 15783 H1 TIP3 3158 -19.550 28.562 -27.996 1.00 0.00 WAT +ATOM 15784 H2 TIP3 3158 -20.337 28.223 -26.732 1.00 0.00 WAT +ATOM 15785 OH2 TIP3 3159 -8.080 13.523 -40.773 1.00 0.00 WAT +ATOM 15786 H1 TIP3 3159 -9.016 13.667 -40.540 1.00 0.00 WAT +ATOM 15787 H2 TIP3 3159 -7.785 14.421 -40.999 1.00 0.00 WAT +ATOM 15788 OH2 TIP3 3160 -20.059 21.930 -38.629 1.00 0.00 WAT +ATOM 15789 H1 TIP3 3160 -20.286 22.697 -39.186 1.00 0.00 WAT +ATOM 15790 H2 TIP3 3160 -20.738 21.294 -38.887 1.00 0.00 WAT +ATOM 15791 OH2 TIP3 3161 -6.659 27.643 -42.055 1.00 0.00 WAT +ATOM 15792 H1 TIP3 3161 -6.775 28.605 -42.050 1.00 0.00 WAT +ATOM 15793 H2 TIP3 3161 -5.856 27.531 -42.582 1.00 0.00 WAT +ATOM 15794 OH2 TIP3 3162 -24.013 24.607 -29.895 1.00 0.00 WAT +ATOM 15795 H1 TIP3 3162 -24.445 24.616 -30.772 1.00 0.00 WAT +ATOM 15796 H2 TIP3 3162 -23.881 23.654 -29.740 1.00 0.00 WAT +ATOM 15797 OH2 TIP3 3163 -23.954 27.517 -32.953 1.00 0.00 WAT +ATOM 15798 H1 TIP3 3163 -23.022 27.253 -32.933 1.00 0.00 WAT +ATOM 15799 H2 TIP3 3163 -23.985 28.149 -32.221 1.00 0.00 WAT +ATOM 15800 OH2 TIP3 3164 -5.565 28.138 -27.177 1.00 0.00 WAT +ATOM 15801 H1 TIP3 3164 -5.690 27.191 -27.364 1.00 0.00 WAT +ATOM 15802 H2 TIP3 3164 -6.477 28.396 -26.915 1.00 0.00 WAT +ATOM 15803 OH2 TIP3 3165 -14.910 27.348 -28.385 1.00 0.00 WAT +ATOM 15804 H1 TIP3 3165 -14.826 28.194 -27.896 1.00 0.00 WAT +ATOM 15805 H2 TIP3 3165 -15.822 27.081 -28.158 1.00 0.00 WAT +ATOM 15806 OH2 TIP3 3166 -20.712 30.391 -36.906 1.00 0.00 WAT +ATOM 15807 H1 TIP3 3166 -20.370 29.945 -36.112 1.00 0.00 WAT +ATOM 15808 H2 TIP3 3166 -21.479 29.855 -37.121 1.00 0.00 WAT +ATOM 15809 OH2 TIP3 3167 -11.333 30.715 -41.480 1.00 0.00 WAT +ATOM 15810 H1 TIP3 3167 -10.883 30.094 -42.079 1.00 0.00 WAT +ATOM 15811 H2 TIP3 3167 -11.364 30.228 -40.644 1.00 0.00 WAT +ATOM 15812 OH2 TIP3 3168 -12.095 30.078 -38.582 1.00 0.00 WAT +ATOM 15813 H1 TIP3 3168 -13.026 30.221 -38.346 1.00 0.00 WAT +ATOM 15814 H2 TIP3 3168 -11.833 29.472 -37.871 1.00 0.00 WAT +ATOM 15815 OH2 TIP3 3169 -8.786 19.503 -26.778 1.00 0.00 WAT +ATOM 15816 H1 TIP3 3169 -9.289 19.911 -27.497 1.00 0.00 WAT +ATOM 15817 H2 TIP3 3169 -8.729 18.576 -27.081 1.00 0.00 WAT +ATOM 15818 OH2 TIP3 3170 -21.830 26.160 -28.636 1.00 0.00 WAT +ATOM 15819 H1 TIP3 3170 -21.548 25.671 -27.836 1.00 0.00 WAT +ATOM 15820 H2 TIP3 3170 -22.549 25.609 -28.995 1.00 0.00 WAT +ATOM 15821 OH2 TIP3 3171 -18.612 14.632 -32.910 1.00 0.00 WAT +ATOM 15822 H1 TIP3 3171 -19.447 14.574 -33.408 1.00 0.00 WAT +ATOM 15823 H2 TIP3 3171 -18.830 15.353 -32.300 1.00 0.00 WAT +ATOM 15824 OH2 TIP3 3172 -14.246 14.135 -29.195 1.00 0.00 WAT +ATOM 15825 H1 TIP3 3172 -13.783 13.468 -28.660 1.00 0.00 WAT +ATOM 15826 H2 TIP3 3172 -15.187 13.863 -29.111 1.00 0.00 WAT +ATOM 15827 OH2 TIP3 3173 -11.084 18.002 -28.730 1.00 0.00 WAT +ATOM 15828 H1 TIP3 3173 -11.688 17.858 -27.980 1.00 0.00 WAT +ATOM 15829 H2 TIP3 3173 -11.151 18.959 -28.893 1.00 0.00 WAT +ATOM 15830 OH2 TIP3 3174 -9.197 22.666 -42.549 1.00 0.00 WAT +ATOM 15831 H1 TIP3 3174 -9.784 22.519 -43.310 1.00 0.00 WAT +ATOM 15832 H2 TIP3 3174 -9.046 23.612 -42.645 1.00 0.00 WAT +ATOM 15833 OH2 TIP3 3175 -14.418 16.593 -42.161 1.00 0.00 WAT +ATOM 15834 H1 TIP3 3175 -14.974 16.641 -41.373 1.00 0.00 WAT +ATOM 15835 H2 TIP3 3175 -14.876 15.907 -42.662 1.00 0.00 WAT +ATOM 15836 OH2 TIP3 3176 -18.754 19.414 -31.479 1.00 0.00 WAT +ATOM 15837 H1 TIP3 3176 -19.348 19.540 -30.722 1.00 0.00 WAT +ATOM 15838 H2 TIP3 3176 -18.670 20.325 -31.836 1.00 0.00 WAT +ATOM 15839 OH2 TIP3 3177 -18.815 19.486 -36.604 1.00 0.00 WAT +ATOM 15840 H1 TIP3 3177 -19.772 19.400 -36.767 1.00 0.00 WAT +ATOM 15841 H2 TIP3 3177 -18.467 19.300 -37.500 1.00 0.00 WAT +ATOM 15842 OH2 TIP3 3178 -13.141 20.035 -37.854 1.00 0.00 WAT +ATOM 15843 H1 TIP3 3178 -13.546 20.867 -38.180 1.00 0.00 WAT +ATOM 15844 H2 TIP3 3178 -12.509 19.840 -38.567 1.00 0.00 WAT +ATOM 15845 OH2 TIP3 3179 -13.997 20.254 -26.491 1.00 0.00 WAT +ATOM 15846 H1 TIP3 3179 -14.521 19.523 -26.112 1.00 0.00 WAT +ATOM 15847 H2 TIP3 3179 -13.130 20.131 -26.062 1.00 0.00 WAT +ATOM 15848 OH2 TIP3 3180 -12.356 19.443 -35.052 1.00 0.00 WAT +ATOM 15849 H1 TIP3 3180 -12.636 20.021 -35.790 1.00 0.00 WAT +ATOM 15850 H2 TIP3 3180 -12.143 18.634 -35.561 1.00 0.00 WAT +ATOM 15851 OH2 TIP3 3181 -21.435 19.582 -29.636 1.00 0.00 WAT +ATOM 15852 H1 TIP3 3181 -21.126 19.891 -28.776 1.00 0.00 WAT +ATOM 15853 H2 TIP3 3181 -21.756 18.688 -29.424 1.00 0.00 WAT +ATOM 15854 OH2 TIP3 3182 -17.670 16.975 -43.136 1.00 0.00 WAT +ATOM 15855 H1 TIP3 3182 -18.031 16.718 -42.266 1.00 0.00 WAT +ATOM 15856 H2 TIP3 3182 -18.415 17.502 -43.486 1.00 0.00 WAT +ATOM 15857 OH2 TIP3 3183 -24.588 17.017 -35.988 1.00 0.00 WAT +ATOM 15858 H1 TIP3 3183 -23.954 17.014 -35.248 1.00 0.00 WAT +ATOM 15859 H2 TIP3 3183 -24.072 16.673 -36.733 1.00 0.00 WAT +ATOM 15860 OH2 TIP3 3184 -22.996 17.486 -40.379 1.00 0.00 WAT +ATOM 15861 H1 TIP3 3184 -22.440 17.968 -41.025 1.00 0.00 WAT +ATOM 15862 H2 TIP3 3184 -23.670 18.157 -40.174 1.00 0.00 WAT +ATOM 15863 OH2 TIP3 3185 -13.256 21.130 -30.589 1.00 0.00 WAT +ATOM 15864 H1 TIP3 3185 -12.817 20.406 -31.091 1.00 0.00 WAT +ATOM 15865 H2 TIP3 3185 -13.586 20.659 -29.812 1.00 0.00 WAT +ATOM 15866 OH2 TIP3 3186 -16.044 17.069 -35.572 1.00 0.00 WAT +ATOM 15867 H1 TIP3 3186 -16.992 17.043 -35.359 1.00 0.00 WAT +ATOM 15868 H2 TIP3 3186 -15.645 16.896 -34.703 1.00 0.00 WAT +ATOM 15869 OH2 TIP3 3187 -21.493 18.294 -36.886 1.00 0.00 WAT +ATOM 15870 H1 TIP3 3187 -22.297 18.581 -37.356 1.00 0.00 WAT +ATOM 15871 H2 TIP3 3187 -21.197 17.518 -37.398 1.00 0.00 WAT +ATOM 15872 OH2 TIP3 3188 -17.869 18.700 -39.219 1.00 0.00 WAT +ATOM 15873 H1 TIP3 3188 -16.900 18.762 -39.174 1.00 0.00 WAT +ATOM 15874 H2 TIP3 3188 -18.111 19.269 -39.971 1.00 0.00 WAT +ATOM 15875 OH2 TIP3 3189 -11.654 16.216 -32.545 1.00 0.00 WAT +ATOM 15876 H1 TIP3 3189 -12.306 16.233 -31.810 1.00 0.00 WAT +ATOM 15877 H2 TIP3 3189 -12.223 15.877 -33.259 1.00 0.00 WAT +ATOM 15878 OH2 TIP3 3190 -19.267 19.824 -41.568 1.00 0.00 WAT +ATOM 15879 H1 TIP3 3190 -19.906 19.348 -42.124 1.00 0.00 WAT +ATOM 15880 H2 TIP3 3190 -18.546 20.016 -42.183 1.00 0.00 WAT +ATOM 15881 OH2 TIP3 3191 -8.635 31.971 -25.896 1.00 0.00 WAT +ATOM 15882 H1 TIP3 3191 -8.454 32.462 -26.715 1.00 0.00 WAT +ATOM 15883 H2 TIP3 3191 -7.967 32.334 -25.293 1.00 0.00 WAT +ATOM 15884 OH2 TIP3 3192 -20.751 24.591 -26.467 1.00 0.00 WAT +ATOM 15885 H1 TIP3 3192 -20.067 24.704 -25.774 1.00 0.00 WAT +ATOM 15886 H2 TIP3 3192 -21.550 24.647 -25.910 1.00 0.00 WAT +ATOM 15887 OH2 TIP3 3193 -15.031 19.621 -33.744 1.00 0.00 WAT +ATOM 15888 H1 TIP3 3193 -14.293 19.194 -34.204 1.00 0.00 WAT +ATOM 15889 H2 TIP3 3193 -15.188 19.011 -32.997 1.00 0.00 WAT +ATOM 15890 OH2 TIP3 3194 -19.719 16.044 -37.624 1.00 0.00 WAT +ATOM 15891 H1 TIP3 3194 -20.271 15.260 -37.470 1.00 0.00 WAT +ATOM 15892 H2 TIP3 3194 -18.897 15.658 -37.956 1.00 0.00 WAT +ATOM 15893 OH2 TIP3 3195 -16.058 18.086 -31.504 1.00 0.00 WAT +ATOM 15894 H1 TIP3 3195 -16.841 18.662 -31.501 1.00 0.00 WAT +ATOM 15895 H2 TIP3 3195 -15.592 18.349 -30.684 1.00 0.00 WAT +ATOM 15896 OH2 TIP3 3196 -15.887 24.431 -39.589 1.00 0.00 WAT +ATOM 15897 H1 TIP3 3196 -16.680 23.987 -39.953 1.00 0.00 WAT +ATOM 15898 H2 TIP3 3196 -16.135 24.558 -38.643 1.00 0.00 WAT +ATOM 15899 OH2 TIP3 3197 -8.691 23.620 -30.877 1.00 0.00 WAT +ATOM 15900 H1 TIP3 3197 -8.208 24.180 -31.521 1.00 0.00 WAT +ATOM 15901 H2 TIP3 3197 -9.556 23.521 -31.323 1.00 0.00 WAT +ATOM 15902 OH2 TIP3 3198 -11.756 17.231 -41.853 1.00 0.00 WAT +ATOM 15903 H1 TIP3 3198 -12.736 17.207 -41.873 1.00 0.00 WAT +ATOM 15904 H2 TIP3 3198 -11.548 17.989 -41.270 1.00 0.00 WAT +ATOM 15905 OH2 TIP3 3199 -14.287 24.473 -28.274 1.00 0.00 WAT +ATOM 15906 H1 TIP3 3199 -14.590 24.191 -27.400 1.00 0.00 WAT +ATOM 15907 H2 TIP3 3199 -14.565 25.403 -28.299 1.00 0.00 WAT +ATOM 15908 OH2 TIP3 3200 -11.152 19.084 -39.884 1.00 0.00 WAT +ATOM 15909 H1 TIP3 3200 -10.286 18.914 -39.463 1.00 0.00 WAT +ATOM 15910 H2 TIP3 3200 -11.018 19.962 -40.288 1.00 0.00 WAT +ATOM 15911 OH2 TIP3 3201 -20.796 23.840 -33.786 1.00 0.00 WAT +ATOM 15912 H1 TIP3 3201 -20.225 23.767 -34.570 1.00 0.00 WAT +ATOM 15913 H2 TIP3 3201 -20.663 22.981 -33.357 1.00 0.00 WAT +ATOM 15914 OH2 TIP3 3202 -13.463 25.756 -40.693 1.00 0.00 WAT +ATOM 15915 H1 TIP3 3202 -13.735 26.649 -40.404 1.00 0.00 WAT +ATOM 15916 H2 TIP3 3202 -14.238 25.237 -40.406 1.00 0.00 WAT +ATOM 15917 OH2 TIP3 3203 -23.534 22.138 -28.511 1.00 0.00 WAT +ATOM 15918 H1 TIP3 3203 -23.361 21.682 -27.664 1.00 0.00 WAT +ATOM 15919 H2 TIP3 3203 -24.134 21.530 -28.971 1.00 0.00 WAT +ATOM 15920 OH2 TIP3 3204 -16.550 21.620 -26.524 1.00 0.00 WAT +ATOM 15921 H1 TIP3 3204 -16.907 21.395 -27.401 1.00 0.00 WAT +ATOM 15922 H2 TIP3 3204 -15.611 21.396 -26.649 1.00 0.00 WAT +ATOM 15923 OH2 TIP3 3205 -12.019 27.010 -28.798 1.00 0.00 WAT +ATOM 15924 H1 TIP3 3205 -12.977 27.159 -28.873 1.00 0.00 WAT +ATOM 15925 H2 TIP3 3205 -11.843 27.322 -27.893 1.00 0.00 WAT +ATOM 15926 OH2 TIP3 3206 -6.439 19.181 -39.983 1.00 0.00 WAT +ATOM 15927 H1 TIP3 3206 -7.060 18.963 -40.707 1.00 0.00 WAT +ATOM 15928 H2 TIP3 3206 -6.347 20.130 -40.171 1.00 0.00 WAT +ATOM 15929 OH2 TIP3 3207 -6.026 25.154 -27.237 1.00 0.00 WAT +ATOM 15930 H1 TIP3 3207 -6.963 25.378 -27.427 1.00 0.00 WAT +ATOM 15931 H2 TIP3 3207 -5.693 25.003 -28.143 1.00 0.00 WAT +ATOM 15932 OH2 TIP3 3208 -8.333 27.760 -39.944 1.00 0.00 WAT +ATOM 15933 H1 TIP3 3208 -8.562 27.005 -39.386 1.00 0.00 WAT +ATOM 15934 H2 TIP3 3208 -7.797 27.363 -40.660 1.00 0.00 WAT +ATOM 15935 OH2 TIP3 3209 -11.037 23.059 -32.556 1.00 0.00 WAT +ATOM 15936 H1 TIP3 3209 -11.974 22.921 -32.796 1.00 0.00 WAT +ATOM 15937 H2 TIP3 3209 -10.610 22.342 -33.062 1.00 0.00 WAT +ATOM 15938 OH2 TIP3 3210 -18.368 27.339 -36.561 1.00 0.00 WAT +ATOM 15939 H1 TIP3 3210 -17.720 28.055 -36.737 1.00 0.00 WAT +ATOM 15940 H2 TIP3 3210 -19.182 27.708 -36.919 1.00 0.00 WAT +ATOM 15941 OH2 TIP3 3211 -22.316 22.031 -41.969 1.00 0.00 WAT +ATOM 15942 H1 TIP3 3211 -21.781 22.713 -41.522 1.00 0.00 WAT +ATOM 15943 H2 TIP3 3211 -23.222 22.267 -41.695 1.00 0.00 WAT +ATOM 15944 OH2 TIP3 3212 -16.616 24.904 -36.922 1.00 0.00 WAT +ATOM 15945 H1 TIP3 3212 -16.848 25.835 -36.761 1.00 0.00 WAT +ATOM 15946 H2 TIP3 3212 -17.347 24.447 -36.479 1.00 0.00 WAT +ATOM 15947 OH2 TIP3 3213 -16.405 29.087 -30.553 1.00 0.00 WAT +ATOM 15948 H1 TIP3 3213 -15.881 29.855 -30.844 1.00 0.00 WAT +ATOM 15949 H2 TIP3 3213 -15.774 28.644 -29.966 1.00 0.00 WAT +ATOM 15950 OH2 TIP3 3214 -13.010 24.831 -30.988 1.00 0.00 WAT +ATOM 15951 H1 TIP3 3214 -13.285 24.586 -30.087 1.00 0.00 WAT +ATOM 15952 H2 TIP3 3214 -12.258 24.236 -31.140 1.00 0.00 WAT +ATOM 15953 OH2 TIP3 3215 -10.870 25.991 -41.939 1.00 0.00 WAT +ATOM 15954 H1 TIP3 3215 -10.393 25.605 -41.180 1.00 0.00 WAT +ATOM 15955 H2 TIP3 3215 -11.770 25.992 -41.577 1.00 0.00 WAT +ATOM 15956 OH2 TIP3 3216 -10.033 29.399 -28.618 1.00 0.00 WAT +ATOM 15957 H1 TIP3 3216 -10.817 28.979 -29.021 1.00 0.00 WAT +ATOM 15958 H2 TIP3 3216 -9.958 30.224 -29.133 1.00 0.00 WAT +ATOM 15959 OH2 TIP3 3217 -5.955 30.582 -41.601 1.00 0.00 WAT +ATOM 15960 H1 TIP3 3217 -5.256 31.251 -41.429 1.00 0.00 WAT +ATOM 15961 H2 TIP3 3217 -6.748 31.064 -41.289 1.00 0.00 WAT +ATOM 15962 OH2 TIP3 3218 -22.213 16.795 -28.899 1.00 0.00 WAT +ATOM 15963 H1 TIP3 3218 -23.121 17.039 -29.167 1.00 0.00 WAT +ATOM 15964 H2 TIP3 3218 -22.357 15.918 -28.501 1.00 0.00 WAT +ATOM 15965 OH2 TIP3 3219 -9.854 24.662 -39.739 1.00 0.00 WAT +ATOM 15966 H1 TIP3 3219 -10.147 24.030 -39.059 1.00 0.00 WAT +ATOM 15967 H2 TIP3 3219 -8.909 24.752 -39.537 1.00 0.00 WAT +ATOM 15968 OH2 TIP3 3220 -22.481 28.544 -30.494 1.00 0.00 WAT +ATOM 15969 H1 TIP3 3220 -22.128 27.653 -30.357 1.00 0.00 WAT +ATOM 15970 H2 TIP3 3220 -22.207 28.975 -29.674 1.00 0.00 WAT +ATOM 15971 OH2 TIP3 3221 -16.370 27.166 -43.310 1.00 0.00 WAT +ATOM 15972 H1 TIP3 3221 -15.992 26.301 -43.538 1.00 0.00 WAT +ATOM 15973 H2 TIP3 3221 -16.853 26.950 -42.486 1.00 0.00 WAT +ATOM 15974 OH2 TIP3 3222 -17.767 26.776 -40.751 1.00 0.00 WAT +ATOM 15975 H1 TIP3 3222 -17.281 26.247 -40.106 1.00 0.00 WAT +ATOM 15976 H2 TIP3 3222 -17.615 27.686 -40.418 1.00 0.00 WAT +ATOM 15977 OH2 TIP3 3223 -20.932 24.094 -40.361 1.00 0.00 WAT +ATOM 15978 H1 TIP3 3223 -21.677 24.508 -39.879 1.00 0.00 WAT +ATOM 15979 H2 TIP3 3223 -20.458 24.885 -40.666 1.00 0.00 WAT +ATOM 15980 OH2 TIP3 3224 -13.227 16.606 -30.356 1.00 0.00 WAT +ATOM 15981 H1 TIP3 3224 -12.624 16.893 -29.654 1.00 0.00 WAT +ATOM 15982 H2 TIP3 3224 -13.740 15.895 -29.931 1.00 0.00 WAT +ATOM 15983 OH2 TIP3 3225 -12.645 16.171 -39.212 1.00 0.00 WAT +ATOM 15984 H1 TIP3 3225 -12.339 16.668 -39.987 1.00 0.00 WAT +ATOM 15985 H2 TIP3 3225 -12.133 16.580 -38.498 1.00 0.00 WAT +ATOM 15986 OH2 TIP3 3226 -14.887 28.297 -40.447 1.00 0.00 WAT +ATOM 15987 H1 TIP3 3226 -15.446 28.689 -39.745 1.00 0.00 WAT +ATOM 15988 H2 TIP3 3226 -14.329 29.054 -40.659 1.00 0.00 WAT +ATOM 15989 OH2 TIP3 3227 -15.193 18.082 -38.152 1.00 0.00 WAT +ATOM 15990 H1 TIP3 3227 -14.414 18.657 -38.008 1.00 0.00 WAT +ATOM 15991 H2 TIP3 3227 -15.487 17.916 -37.236 1.00 0.00 WAT +ATOM 15992 OH2 TIP3 3228 -14.848 18.955 -28.999 1.00 0.00 WAT +ATOM 15993 H1 TIP3 3228 -14.783 19.503 -28.199 1.00 0.00 WAT +ATOM 15994 H2 TIP3 3228 -14.269 18.214 -28.779 1.00 0.00 WAT +ATOM 15995 OH2 TIP3 3229 -14.561 15.104 -37.233 1.00 0.00 WAT +ATOM 15996 H1 TIP3 3229 -14.778 15.799 -36.583 1.00 0.00 WAT +ATOM 15997 H2 TIP3 3229 -13.855 15.541 -37.749 1.00 0.00 WAT +ATOM 15998 OH2 TIP3 3230 -17.875 29.526 -40.005 1.00 0.00 WAT +ATOM 15999 H1 TIP3 3230 -17.612 30.317 -40.507 1.00 0.00 WAT +ATOM 16000 H2 TIP3 3230 -17.615 29.775 -39.097 1.00 0.00 WAT +ATOM 16001 OH2 TIP3 3231 -18.852 16.168 -40.798 1.00 0.00 WAT +ATOM 16002 H1 TIP3 3231 -18.925 16.880 -40.141 1.00 0.00 WAT +ATOM 16003 H2 TIP3 3231 -18.103 15.655 -40.442 1.00 0.00 WAT +ATOM 16004 OH2 TIP3 3232 -8.562 16.989 -28.098 1.00 0.00 WAT +ATOM 16005 H1 TIP3 3232 -9.513 17.128 -28.285 1.00 0.00 WAT +ATOM 16006 H2 TIP3 3232 -8.274 16.756 -28.993 1.00 0.00 WAT +ATOM 16007 OH2 TIP3 3233 -10.030 20.811 -34.096 1.00 0.00 WAT +ATOM 16008 H1 TIP3 3233 -10.862 20.372 -34.353 1.00 0.00 WAT +ATOM 16009 H2 TIP3 3233 -9.562 20.094 -33.616 1.00 0.00 WAT +ATOM 16010 OH2 TIP3 3234 -20.530 27.037 -41.563 1.00 0.00 WAT +ATOM 16011 H1 TIP3 3234 -19.734 27.373 -41.117 1.00 0.00 WAT +ATOM 16012 H2 TIP3 3234 -20.120 26.541 -42.288 1.00 0.00 WAT +ATOM 16013 OH2 TIP3 3235 -22.267 19.225 -42.526 1.00 0.00 WAT +ATOM 16014 H1 TIP3 3235 -22.132 20.183 -42.380 1.00 0.00 WAT +ATOM 16015 H2 TIP3 3235 -23.159 19.218 -42.917 1.00 0.00 WAT +ATOM 16016 OH2 TIP3 3236 -8.983 29.641 -32.702 1.00 0.00 WAT +ATOM 16017 H1 TIP3 3236 -9.231 30.442 -33.204 1.00 0.00 WAT +ATOM 16018 H2 TIP3 3236 -8.071 29.868 -32.457 1.00 0.00 WAT +ATOM 16019 OH2 TIP3 3237 -21.409 14.189 -33.706 1.00 0.00 WAT +ATOM 16020 H1 TIP3 3237 -21.582 14.163 -34.670 1.00 0.00 WAT +ATOM 16021 H2 TIP3 3237 -21.738 13.320 -33.408 1.00 0.00 WAT +ATOM 16022 OH2 TIP3 3238 -22.531 27.719 -37.469 1.00 0.00 WAT +ATOM 16023 H1 TIP3 3238 -23.278 28.289 -37.246 1.00 0.00 WAT +ATOM 16024 H2 TIP3 3238 -22.093 28.217 -38.172 1.00 0.00 WAT +ATOM 16025 OH2 TIP3 3239 -23.113 30.584 -26.281 1.00 0.00 WAT +ATOM 16026 H1 TIP3 3239 -22.534 30.313 -25.542 1.00 0.00 WAT +ATOM 16027 H2 TIP3 3239 -23.504 29.732 -26.559 1.00 0.00 WAT +ATOM 16028 OH2 TIP3 3240 -18.525 29.690 -24.530 1.00 0.00 WAT +ATOM 16029 H1 TIP3 3240 -17.768 29.149 -24.261 1.00 0.00 WAT +ATOM 16030 H2 TIP3 3240 -18.644 29.395 -25.450 1.00 0.00 WAT +ATOM 16031 OH2 TIP3 3241 -14.180 29.048 -43.391 1.00 0.00 WAT +ATOM 16032 H1 TIP3 3241 -14.990 28.540 -43.188 1.00 0.00 WAT +ATOM 16033 H2 TIP3 3241 -13.555 28.320 -43.519 1.00 0.00 WAT +ATOM 16034 OH2 TIP3 3242 -11.867 27.861 -25.984 1.00 0.00 WAT +ATOM 16035 H1 TIP3 3242 -12.296 27.093 -25.570 1.00 0.00 WAT +ATOM 16036 H2 TIP3 3242 -11.250 28.155 -25.289 1.00 0.00 WAT +ATOM 16037 OH2 TIP3 3243 -10.127 28.508 -42.934 1.00 0.00 WAT +ATOM 16038 H1 TIP3 3243 -9.805 27.885 -42.267 1.00 0.00 WAT +ATOM 16039 H2 TIP3 3243 -9.387 29.139 -43.081 1.00 0.00 WAT +ATOM 16040 OH2 TIP3 3244 -23.176 24.193 -25.144 1.00 0.00 WAT +ATOM 16041 H1 TIP3 3244 -23.051 23.317 -25.542 1.00 0.00 WAT +ATOM 16042 H2 TIP3 3244 -23.923 24.528 -25.677 1.00 0.00 WAT +ATOM 16043 OH2 TIP3 3245 -18.882 24.805 -43.073 1.00 0.00 WAT +ATOM 16044 H1 TIP3 3245 -18.750 24.118 -42.406 1.00 0.00 WAT +ATOM 16045 H2 TIP3 3245 -18.178 24.628 -43.712 1.00 0.00 WAT +ATOM 16046 OH2 TIP3 3246 -16.533 24.391 -25.820 1.00 0.00 WAT +ATOM 16047 H1 TIP3 3246 -16.830 24.756 -26.672 1.00 0.00 WAT +ATOM 16048 H2 TIP3 3246 -16.480 23.430 -26.000 1.00 0.00 WAT +ATOM 16049 OH2 TIP3 3247 -13.586 25.818 -43.483 1.00 0.00 WAT +ATOM 16050 H1 TIP3 3247 -13.475 25.955 -42.524 1.00 0.00 WAT +ATOM 16051 H2 TIP3 3247 -12.960 25.105 -43.664 1.00 0.00 WAT +ATOM 16052 OH2 TIP3 3248 -11.157 24.027 -28.432 1.00 0.00 WAT +ATOM 16053 H1 TIP3 3248 -10.385 24.580 -28.623 1.00 0.00 WAT +ATOM 16054 H2 TIP3 3248 -11.863 24.696 -28.444 1.00 0.00 WAT +ATOM 16055 OH2 TIP3 3249 -22.301 21.331 -26.000 1.00 0.00 WAT +ATOM 16056 H1 TIP3 3249 -21.597 20.665 -25.974 1.00 0.00 WAT +ATOM 16057 H2 TIP3 3249 -22.344 21.581 -25.064 1.00 0.00 WAT +ATOM 16058 OH2 TIP3 3250 -17.876 22.720 -40.906 1.00 0.00 WAT +ATOM 16059 H1 TIP3 3250 -18.486 22.260 -40.309 1.00 0.00 WAT +ATOM 16060 H2 TIP3 3250 -17.523 21.983 -41.438 1.00 0.00 WAT +ATOM 16061 OH2 TIP3 3251 -18.664 20.489 -28.551 1.00 0.00 WAT +ATOM 16062 H1 TIP3 3251 -19.197 21.290 -28.380 1.00 0.00 WAT +ATOM 16063 H2 TIP3 3251 -18.004 20.828 -29.182 1.00 0.00 WAT +ATOM 16064 OH2 TIP3 3252 -16.679 20.816 -42.737 1.00 0.00 WAT +ATOM 16065 H1 TIP3 3252 -16.650 20.582 -43.675 1.00 0.00 WAT +ATOM 16066 H2 TIP3 3252 -15.724 20.802 -42.512 1.00 0.00 WAT +ATOM 16067 OH2 TIP3 3253 -13.335 23.188 -24.993 1.00 0.00 WAT +ATOM 16068 H1 TIP3 3253 -12.437 23.023 -25.313 1.00 0.00 WAT +ATOM 16069 H2 TIP3 3253 -13.567 22.338 -24.601 1.00 0.00 WAT +ATOM 16070 OH2 TIP3 3254 -18.040 17.810 -27.470 1.00 0.00 WAT +ATOM 16071 H1 TIP3 3254 -17.978 17.132 -28.169 1.00 0.00 WAT +ATOM 16072 H2 TIP3 3254 -18.238 18.608 -27.993 1.00 0.00 WAT +ATOM 16073 OH2 TIP3 3255 -17.692 16.201 -29.950 1.00 0.00 WAT +ATOM 16074 H1 TIP3 3255 -17.168 16.701 -30.606 1.00 0.00 WAT +ATOM 16075 H2 TIP3 3255 -18.595 16.224 -30.328 1.00 0.00 WAT +ATOM 16076 OH2 TIP3 3256 -16.153 21.694 -29.555 1.00 0.00 WAT +ATOM 16077 H1 TIP3 3256 -15.324 21.628 -30.050 1.00 0.00 WAT +ATOM 16078 H2 TIP3 3256 -16.482 22.564 -29.862 1.00 0.00 WAT +ATOM 16079 OH2 TIP3 3257 -11.597 19.617 -24.779 1.00 0.00 WAT +ATOM 16080 H1 TIP3 3257 -11.331 18.695 -24.648 1.00 0.00 WAT +ATOM 16081 H2 TIP3 3257 -10.732 20.055 -24.840 1.00 0.00 WAT +ATOM 16082 OH2 TIP3 3258 -10.614 22.408 -26.298 1.00 0.00 WAT +ATOM 16083 H1 TIP3 3258 -10.966 23.027 -26.972 1.00 0.00 WAT +ATOM 16084 H2 TIP3 3258 -9.718 22.266 -26.665 1.00 0.00 WAT +ATOM 16085 OH2 TIP3 3259 -19.746 19.534 -25.532 1.00 0.00 WAT +ATOM 16086 H1 TIP3 3259 -20.342 18.767 -25.620 1.00 0.00 WAT +ATOM 16087 H2 TIP3 3259 -19.019 19.285 -26.123 1.00 0.00 WAT +ATOM 16088 OH2 TIP3 3260 -16.940 13.528 -29.242 1.00 0.00 WAT +ATOM 16089 H1 TIP3 3260 -17.212 14.455 -29.386 1.00 0.00 WAT +ATOM 16090 H2 TIP3 3260 -17.610 13.052 -29.765 1.00 0.00 WAT +ATOM 16091 OH2 TIP3 3261 -15.717 18.089 -25.839 1.00 0.00 WAT +ATOM 16092 H1 TIP3 3261 -16.104 17.831 -24.983 1.00 0.00 WAT +ATOM 16093 H2 TIP3 3261 -16.505 17.959 -26.409 1.00 0.00 WAT +ATOM 16094 OH2 TIP3 3262 -13.227 17.146 -26.991 1.00 0.00 WAT +ATOM 16095 H1 TIP3 3262 -14.080 17.297 -26.540 1.00 0.00 WAT +ATOM 16096 H2 TIP3 3262 -12.732 16.617 -26.334 1.00 0.00 WAT +ATOM 16097 OH2 TIP3 3263 -11.486 15.716 -25.244 1.00 0.00 WAT +ATOM 16098 H1 TIP3 3263 -11.370 14.774 -25.036 1.00 0.00 WAT +ATOM 16099 H2 TIP3 3263 -11.534 16.138 -24.363 1.00 0.00 WAT +ATOM 16100 OH2 TIP3 3264 -21.219 17.098 -25.806 1.00 0.00 WAT +ATOM 16101 H1 TIP3 3264 -21.264 16.381 -26.459 1.00 0.00 WAT +ATOM 16102 H2 TIP3 3264 -21.405 16.620 -24.976 1.00 0.00 WAT +ATOM 16103 OH2 TIP3 3265 -17.061 31.872 -41.792 1.00 0.00 WAT +ATOM 16104 H1 TIP3 3265 -16.170 32.090 -41.472 1.00 0.00 WAT +ATOM 16105 H2 TIP3 3265 -17.274 32.600 -42.392 1.00 0.00 WAT +ATOM 16106 OH2 TIP3 3266 -23.233 26.030 -41.960 1.00 0.00 WAT +ATOM 16107 H1 TIP3 3266 -22.331 26.400 -41.974 1.00 0.00 WAT +ATOM 16108 H2 TIP3 3266 -23.261 25.500 -42.769 1.00 0.00 WAT +ATOM 16109 OH2 TIP3 3267 -24.217 31.554 -37.201 1.00 0.00 WAT +ATOM 16110 H1 TIP3 3267 -24.938 31.182 -37.747 1.00 0.00 WAT +ATOM 16111 H2 TIP3 3267 -24.133 30.878 -36.497 1.00 0.00 WAT +ATOM 16112 OH2 TIP3 3268 -23.864 29.597 -35.194 1.00 0.00 WAT +ATOM 16113 H1 TIP3 3268 -24.122 28.716 -34.881 1.00 0.00 WAT +ATOM 16114 H2 TIP3 3268 -23.457 29.943 -34.384 1.00 0.00 WAT +ATOM 16115 OH2 TIP3 3269 -6.279 30.802 -32.200 1.00 0.00 WAT +ATOM 16116 H1 TIP3 3269 -6.154 30.837 -31.239 1.00 0.00 WAT +ATOM 16117 H2 TIP3 3269 -5.439 31.161 -32.514 1.00 0.00 WAT +ATOM 16118 OH2 TIP3 3270 -6.395 30.290 -29.321 1.00 0.00 WAT +ATOM 16119 H1 TIP3 3270 -6.919 29.547 -29.673 1.00 0.00 WAT +ATOM 16120 H2 TIP3 3270 -5.844 29.823 -28.675 1.00 0.00 WAT +ATOM 16121 OH2 TIP3 3271 -8.398 25.697 -25.006 1.00 0.00 WAT +ATOM 16122 H1 TIP3 3271 -9.295 25.807 -24.646 1.00 0.00 WAT +ATOM 16123 H2 TIP3 3271 -7.956 26.519 -24.734 1.00 0.00 WAT +ATOM 16124 OH2 TIP3 3272 -6.917 24.530 -39.332 1.00 0.00 WAT +ATOM 16125 H1 TIP3 3272 -6.053 24.860 -39.034 1.00 0.00 WAT +ATOM 16126 H2 TIP3 3272 -7.116 23.909 -38.610 1.00 0.00 WAT +ATOM 16127 OH2 TIP3 3273 -6.509 22.536 -37.308 1.00 0.00 WAT +ATOM 16128 H1 TIP3 3273 -7.217 22.012 -36.881 1.00 0.00 WAT +ATOM 16129 H2 TIP3 3273 -5.870 22.679 -36.586 1.00 0.00 WAT +ATOM 16130 OH2 TIP3 3274 -6.787 25.051 -32.320 1.00 0.00 WAT +ATOM 16131 H1 TIP3 3274 -6.160 24.625 -32.921 1.00 0.00 WAT +ATOM 16132 H2 TIP3 3274 -6.742 25.977 -32.614 1.00 0.00 WAT +ATOM 16133 OH2 TIP3 3275 -8.108 27.966 -30.082 1.00 0.00 WAT +ATOM 16134 H1 TIP3 3275 -8.826 28.420 -29.601 1.00 0.00 WAT +ATOM 16135 H2 TIP3 3275 -8.572 27.652 -30.882 1.00 0.00 WAT +ATOM 16136 OH2 TIP3 3276 -6.214 22.282 -41.082 1.00 0.00 WAT +ATOM 16137 H1 TIP3 3276 -6.935 22.414 -41.719 1.00 0.00 WAT +ATOM 16138 H2 TIP3 3276 -6.498 22.887 -40.375 1.00 0.00 WAT +ATOM 16139 OH2 TIP3 3277 -8.009 19.636 -42.140 1.00 0.00 WAT +ATOM 16140 H1 TIP3 3277 -7.773 20.317 -42.789 1.00 0.00 WAT +ATOM 16141 H2 TIP3 3277 -7.715 18.837 -42.588 1.00 0.00 WAT +ATOM 16142 OH2 TIP3 3278 -8.593 20.716 -36.497 1.00 0.00 WAT +ATOM 16143 H1 TIP3 3278 -8.685 19.765 -36.670 1.00 0.00 WAT +ATOM 16144 H2 TIP3 3278 -8.994 20.805 -35.609 1.00 0.00 WAT +ATOM 16145 OH2 TIP3 3279 -23.767 22.902 -32.798 1.00 0.00 WAT +ATOM 16146 H1 TIP3 3279 -23.519 22.990 -33.734 1.00 0.00 WAT +ATOM 16147 H2 TIP3 3279 -22.890 22.716 -32.403 1.00 0.00 WAT +ATOM 16148 OH2 TIP3 3280 -8.006 22.628 -27.374 1.00 0.00 WAT +ATOM 16149 H1 TIP3 3280 -7.258 22.035 -27.173 1.00 0.00 WAT +ATOM 16150 H2 TIP3 3280 -7.568 23.472 -27.551 1.00 0.00 WAT +ATOM 16151 OH2 TIP3 3281 -6.440 20.742 -26.150 1.00 0.00 WAT +ATOM 16152 H1 TIP3 3281 -7.237 20.213 -26.366 1.00 0.00 WAT +ATOM 16153 H2 TIP3 3281 -5.745 20.057 -26.169 1.00 0.00 WAT +ATOM 16154 OH2 TIP3 3282 -8.945 16.548 -43.326 1.00 0.00 WAT +ATOM 16155 H1 TIP3 3282 -8.212 16.045 -42.949 1.00 0.00 WAT +ATOM 16156 H2 TIP3 3282 -9.737 16.094 -42.997 1.00 0.00 WAT +ATOM 16157 OH2 TIP3 3283 -8.807 18.248 -38.358 1.00 0.00 WAT +ATOM 16158 H1 TIP3 3283 -8.559 17.298 -38.288 1.00 0.00 WAT +ATOM 16159 H2 TIP3 3283 -7.988 18.612 -38.731 1.00 0.00 WAT +ATOM 16160 OH2 TIP3 3284 -8.511 18.811 -32.879 1.00 0.00 WAT +ATOM 16161 H1 TIP3 3284 -7.539 18.917 -32.903 1.00 0.00 WAT +ATOM 16162 H2 TIP3 3284 -8.660 18.841 -31.918 1.00 0.00 WAT +ATOM 16163 OH2 TIP3 3285 -8.350 19.520 -30.060 1.00 0.00 WAT +ATOM 16164 H1 TIP3 3285 -9.206 19.910 -29.801 1.00 0.00 WAT +ATOM 16165 H2 TIP3 3285 -7.826 20.315 -30.271 1.00 0.00 WAT +ATOM 16166 OH2 TIP3 3286 -23.847 18.275 -26.404 1.00 0.00 WAT +ATOM 16167 H1 TIP3 3286 -22.911 18.006 -26.356 1.00 0.00 WAT +ATOM 16168 H2 TIP3 3286 -24.295 17.414 -26.327 1.00 0.00 WAT +ATOM 16169 OH2 TIP3 3287 -5.830 13.639 -24.772 1.00 0.00 WAT +ATOM 16170 H1 TIP3 3287 -5.366 12.954 -25.293 1.00 0.00 WAT +ATOM 16171 H2 TIP3 3287 -5.758 14.418 -25.354 1.00 0.00 WAT +ATOM 16172 OH2 TIP3 3288 -8.323 15.493 -38.298 1.00 0.00 WAT +ATOM 16173 H1 TIP3 3288 -8.167 15.104 -37.420 1.00 0.00 WAT +ATOM 16174 H2 TIP3 3288 -9.056 14.936 -38.629 1.00 0.00 WAT +ATOM 16175 OH2 TIP3 3289 -23.087 16.606 -33.579 1.00 0.00 WAT +ATOM 16176 H1 TIP3 3289 -22.615 15.756 -33.521 1.00 0.00 WAT +ATOM 16177 H2 TIP3 3289 -22.404 17.217 -33.245 1.00 0.00 WAT +ATOM 16178 OH2 TIP3 3290 -24.538 19.290 -32.546 1.00 0.00 WAT +ATOM 16179 H1 TIP3 3290 -23.961 19.249 -33.326 1.00 0.00 WAT +ATOM 16180 H2 TIP3 3290 -24.174 20.064 -32.096 1.00 0.00 WAT +ATOM 16181 OH2 TIP3 3291 -6.400 15.721 -26.524 1.00 0.00 WAT +ATOM 16182 H1 TIP3 3291 -7.283 16.131 -26.488 1.00 0.00 WAT +ATOM 16183 H2 TIP3 3291 -6.506 15.161 -27.314 1.00 0.00 WAT +ATOM 16184 OH2 TIP3 3292 -6.173 15.774 -41.584 1.00 0.00 WAT +ATOM 16185 H1 TIP3 3292 -6.132 15.324 -42.457 1.00 0.00 WAT +ATOM 16186 H2 TIP3 3292 -5.404 16.347 -41.711 1.00 0.00 WAT +ATOM 16187 OH2 TIP3 3293 -24.034 15.636 -38.525 1.00 0.00 WAT +ATOM 16188 H1 TIP3 3293 -24.990 15.664 -38.705 1.00 0.00 WAT +ATOM 16189 H2 TIP3 3293 -23.663 16.238 -39.199 1.00 0.00 WAT +ATOM 16190 OH2 TIP3 3294 -9.436 30.834 -36.448 1.00 0.00 WAT +ATOM 16191 H1 TIP3 3294 -8.885 30.574 -37.200 1.00 0.00 WAT +ATOM 16192 H2 TIP3 3294 -8.803 31.261 -35.859 1.00 0.00 WAT +ATOM 16193 OH2 TIP3 3295 -23.994 14.540 -30.311 1.00 0.00 WAT +ATOM 16194 H1 TIP3 3295 -24.707 14.211 -29.751 1.00 0.00 WAT +ATOM 16195 H2 TIP3 3295 -24.491 15.035 -30.986 1.00 0.00 WAT +ATOM 16196 OH2 TIP3 3296 -22.024 27.482 -25.645 1.00 0.00 WAT +ATOM 16197 H1 TIP3 3296 -22.729 27.583 -26.301 1.00 0.00 WAT +ATOM 16198 H2 TIP3 3296 -22.478 27.656 -24.813 1.00 0.00 WAT +ATOM 16199 OH2 TIP3 3297 -19.176 28.600 -29.986 1.00 0.00 WAT +ATOM 16200 H1 TIP3 3297 -19.473 29.449 -30.361 1.00 0.00 WAT +ATOM 16201 H2 TIP3 3297 -18.218 28.676 -30.173 1.00 0.00 WAT +ATOM 16202 OH2 TIP3 3298 -14.638 29.869 -27.064 1.00 0.00 WAT +ATOM 16203 H1 TIP3 3298 -14.553 29.761 -26.102 1.00 0.00 WAT +ATOM 16204 H2 TIP3 3298 -13.823 30.365 -27.280 1.00 0.00 WAT +ATOM 16205 OH2 TIP3 3299 -12.348 31.379 -27.752 1.00 0.00 WAT +ATOM 16206 H1 TIP3 3299 -11.678 30.712 -27.957 1.00 0.00 WAT +ATOM 16207 H2 TIP3 3299 -12.063 31.669 -26.862 1.00 0.00 WAT +ATOM 16208 OH2 TIP3 3300 -7.559 13.930 -28.532 1.00 0.00 WAT +ATOM 16209 H1 TIP3 3300 -8.336 14.130 -29.081 1.00 0.00 WAT +ATOM 16210 H2 TIP3 3300 -7.312 13.042 -28.867 1.00 0.00 WAT +ATOM 16211 OH2 TIP3 3301 -21.826 31.513 -29.654 1.00 0.00 WAT +ATOM 16212 H1 TIP3 3301 -22.387 32.167 -30.108 1.00 0.00 WAT +ATOM 16213 H2 TIP3 3301 -22.127 31.623 -28.744 1.00 0.00 WAT +ATOM 16214 OH2 TIP3 3302 -19.311 31.302 -31.096 1.00 0.00 WAT +ATOM 16215 H1 TIP3 3302 -20.160 31.529 -30.671 1.00 0.00 WAT +ATOM 16216 H2 TIP3 3302 -19.239 31.981 -31.794 1.00 0.00 WAT +ATOM 16217 OH2 TIP3 3303 -14.578 31.284 -31.520 1.00 0.00 WAT +ATOM 16218 H1 TIP3 3303 -14.956 31.698 -32.323 1.00 0.00 WAT +ATOM 16219 H2 TIP3 3303 -14.488 32.062 -30.939 1.00 0.00 WAT +ATOM 16220 OH2 TIP3 3304 -12.235 30.020 -30.614 1.00 0.00 WAT +ATOM 16221 H1 TIP3 3304 -13.079 30.370 -30.962 1.00 0.00 WAT +ATOM 16222 H2 TIP3 3304 -11.678 30.809 -30.668 1.00 0.00 WAT +ATOM 16223 OH2 TIP3 3305 -9.657 31.751 -30.444 1.00 0.00 WAT +ATOM 16224 H1 TIP3 3305 -9.743 32.704 -30.643 1.00 0.00 WAT +ATOM 16225 H2 TIP3 3305 -9.424 31.409 -31.323 1.00 0.00 WAT +ATOM 16226 OH2 TIP3 3306 -22.247 30.332 -32.723 1.00 0.00 WAT +ATOM 16227 H1 TIP3 3306 -22.235 29.863 -31.862 1.00 0.00 WAT +ATOM 16228 H2 TIP3 3306 -21.469 29.923 -33.160 1.00 0.00 WAT +ATOM 16229 OH2 TIP3 3307 -20.210 29.123 -34.218 1.00 0.00 WAT +ATOM 16230 H1 TIP3 3307 -20.322 28.178 -34.002 1.00 0.00 WAT +ATOM 16231 H2 TIP3 3307 -19.281 29.281 -33.947 1.00 0.00 WAT +ATOM 16232 OH2 TIP3 3308 -17.529 29.573 -33.364 1.00 0.00 WAT +ATOM 16233 H1 TIP3 3308 -17.186 28.733 -33.702 1.00 0.00 WAT +ATOM 16234 H2 TIP3 3308 -17.374 29.480 -32.412 1.00 0.00 WAT +ATOM 16235 OH2 TIP3 3309 -14.104 15.431 -34.068 1.00 0.00 WAT +ATOM 16236 H1 TIP3 3309 -14.806 14.763 -33.953 1.00 0.00 WAT +ATOM 16237 H2 TIP3 3309 -13.514 14.992 -34.700 1.00 0.00 WAT +ATOM 16238 OH2 TIP3 3310 -9.165 13.498 -33.611 1.00 0.00 WAT +ATOM 16239 H1 TIP3 3310 -8.397 13.908 -34.047 1.00 0.00 WAT +ATOM 16240 H2 TIP3 3310 -9.902 13.758 -34.189 1.00 0.00 WAT +ATOM 16241 OH2 TIP3 3311 -7.087 14.572 -35.751 1.00 0.00 WAT +ATOM 16242 H1 TIP3 3311 -6.379 14.133 -36.259 1.00 0.00 WAT +ATOM 16243 H2 TIP3 3311 -6.756 15.489 -35.695 1.00 0.00 WAT +ATOM 16244 OH2 TIP3 3312 -21.752 14.158 -36.522 1.00 0.00 WAT +ATOM 16245 H1 TIP3 3312 -22.613 14.042 -36.968 1.00 0.00 WAT +ATOM 16246 H2 TIP3 3312 -21.341 13.288 -36.679 1.00 0.00 WAT +ATOM 16247 OH2 TIP3 3313 -22.976 13.716 -40.804 1.00 0.00 WAT +ATOM 16248 H1 TIP3 3313 -22.379 14.345 -41.271 1.00 0.00 WAT +ATOM 16249 H2 TIP3 3313 -23.302 14.269 -40.075 1.00 0.00 WAT +ATOM 16250 OH2 TIP3 3314 -17.287 13.982 -36.662 1.00 0.00 WAT +ATOM 16251 H1 TIP3 3314 -16.375 14.288 -36.795 1.00 0.00 WAT +ATOM 16252 H2 TIP3 3314 -17.316 13.896 -35.702 1.00 0.00 WAT +ATOM 16253 OH2 TIP3 3315 -11.673 14.026 -35.236 1.00 0.00 WAT +ATOM 16254 H1 TIP3 3315 -11.440 13.888 -36.165 1.00 0.00 WAT +ATOM 16255 H2 TIP3 3315 -12.069 13.168 -34.998 1.00 0.00 WAT +ATOM 16256 OH2 TIP3 3316 -10.639 14.000 -39.211 1.00 0.00 WAT +ATOM 16257 H1 TIP3 3316 -11.438 14.462 -39.516 1.00 0.00 WAT +ATOM 16258 H2 TIP3 3316 -10.965 13.083 -39.149 1.00 0.00 WAT +ATOM 16259 OH2 TIP3 3317 -22.905 29.609 -39.661 1.00 0.00 WAT +ATOM 16260 H1 TIP3 3317 -23.621 29.615 -40.317 1.00 0.00 WAT +ATOM 16261 H2 TIP3 3317 -22.869 30.540 -39.415 1.00 0.00 WAT +ATOM 16262 OH2 TIP3 3318 -21.285 15.411 -42.285 1.00 0.00 WAT +ATOM 16263 H1 TIP3 3318 -20.719 14.840 -42.821 1.00 0.00 WAT +ATOM 16264 H2 TIP3 3318 -20.624 15.928 -41.792 1.00 0.00 WAT +ATOM 16265 OH2 TIP3 3319 -16.177 15.615 -39.591 1.00 0.00 WAT +ATOM 16266 H1 TIP3 3319 -15.780 15.081 -38.886 1.00 0.00 WAT +ATOM 16267 H2 TIP3 3319 -15.936 16.501 -39.281 1.00 0.00 WAT +ATOM 16268 OH2 TIP3 3320 -14.121 31.326 -41.397 1.00 0.00 WAT +ATOM 16269 H1 TIP3 3320 -13.151 31.427 -41.428 1.00 0.00 WAT +ATOM 16270 H2 TIP3 3320 -14.258 30.651 -42.076 1.00 0.00 WAT +ATOM 16271 OH2 TIP3 3321 -7.466 30.433 -38.860 1.00 0.00 WAT +ATOM 16272 H1 TIP3 3321 -7.819 29.622 -39.279 1.00 0.00 WAT +ATOM 16273 H2 TIP3 3321 -7.737 31.124 -39.500 1.00 0.00 WAT +ATOM 16274 OH2 TIP3 3322 -21.973 14.394 -27.000 1.00 0.00 WAT +ATOM 16275 H1 TIP3 3322 -22.372 13.575 -26.653 1.00 0.00 WAT +ATOM 16276 H2 TIP3 3322 -21.044 14.264 -26.753 1.00 0.00 WAT +ATOM 16277 OH2 TIP3 3323 -19.577 13.734 -25.299 1.00 0.00 WAT +ATOM 16278 H1 TIP3 3323 -18.791 13.277 -25.625 1.00 0.00 WAT +ATOM 16279 H2 TIP3 3323 -20.029 13.005 -24.837 1.00 0.00 WAT +ATOM 16280 OH2 TIP3 3324 -20.908 30.663 -42.320 1.00 0.00 WAT +ATOM 16281 H1 TIP3 3324 -21.274 30.946 -41.474 1.00 0.00 WAT +ATOM 16282 H2 TIP3 3324 -20.205 30.059 -42.057 1.00 0.00 WAT +ATOM 16283 OH2 TIP3 3325 -11.562 12.890 -25.053 1.00 0.00 WAT +ATOM 16284 H1 TIP3 3325 -11.399 12.484 -24.174 1.00 0.00 WAT +ATOM 16285 H2 TIP3 3325 -10.647 12.868 -25.409 1.00 0.00 WAT +ATOM 16286 OH2 TIP3 3326 -8.082 29.225 -26.414 1.00 0.00 WAT +ATOM 16287 H1 TIP3 3326 -8.823 29.035 -27.017 1.00 0.00 WAT +ATOM 16288 H2 TIP3 3326 -8.261 30.163 -26.203 1.00 0.00 WAT +ATOM 16289 OH2 TIP3 3327 6.094 22.890 -36.264 1.00 0.00 WAT +ATOM 16290 H1 TIP3 3327 6.104 23.854 -36.148 1.00 0.00 WAT +ATOM 16291 H2 TIP3 3327 5.360 22.782 -36.884 1.00 0.00 WAT +ATOM 16292 OH2 TIP3 3328 4.973 22.313 -33.172 1.00 0.00 WAT +ATOM 16293 H1 TIP3 3328 4.936 21.748 -32.385 1.00 0.00 WAT +ATOM 16294 H2 TIP3 3328 4.723 21.693 -33.874 1.00 0.00 WAT +ATOM 16295 OH2 TIP3 3329 -1.848 21.786 -31.560 1.00 0.00 WAT +ATOM 16296 H1 TIP3 3329 -2.339 21.143 -31.004 1.00 0.00 WAT +ATOM 16297 H2 TIP3 3329 -1.891 22.571 -30.981 1.00 0.00 WAT +ATOM 16298 OH2 TIP3 3330 8.636 25.080 -34.880 1.00 0.00 WAT +ATOM 16299 H1 TIP3 3330 8.273 24.374 -34.329 1.00 0.00 WAT +ATOM 16300 H2 TIP3 3330 8.931 25.710 -34.208 1.00 0.00 WAT +ATOM 16301 OH2 TIP3 3331 -1.884 26.557 -33.015 1.00 0.00 WAT +ATOM 16302 H1 TIP3 3331 -2.094 25.634 -33.257 1.00 0.00 WAT +ATOM 16303 H2 TIP3 3331 -0.945 26.465 -32.792 1.00 0.00 WAT +ATOM 16304 OH2 TIP3 3332 -4.912 20.029 -37.617 1.00 0.00 WAT +ATOM 16305 H1 TIP3 3332 -5.405 20.861 -37.540 1.00 0.00 WAT +ATOM 16306 H2 TIP3 3332 -5.564 19.454 -38.041 1.00 0.00 WAT +ATOM 16307 OH2 TIP3 3333 -4.051 22.432 -35.692 1.00 0.00 WAT +ATOM 16308 H1 TIP3 3333 -3.944 21.553 -35.278 1.00 0.00 WAT +ATOM 16309 H2 TIP3 3333 -3.254 22.479 -36.237 1.00 0.00 WAT +ATOM 16310 OH2 TIP3 3334 5.683 30.426 -34.327 1.00 0.00 WAT +ATOM 16311 H1 TIP3 3334 6.287 29.725 -34.637 1.00 0.00 WAT +ATOM 16312 H2 TIP3 3334 5.431 30.105 -33.453 1.00 0.00 WAT +ATOM 16313 OH2 TIP3 3335 3.440 24.822 -32.623 1.00 0.00 WAT +ATOM 16314 H1 TIP3 3335 3.797 24.129 -33.205 1.00 0.00 WAT +ATOM 16315 H2 TIP3 3335 4.251 25.022 -32.116 1.00 0.00 WAT +ATOM 16316 OH2 TIP3 3336 12.123 16.365 -31.981 1.00 0.00 WAT +ATOM 16317 H1 TIP3 3336 12.377 16.987 -31.277 1.00 0.00 WAT +ATOM 16318 H2 TIP3 3336 12.730 16.644 -32.692 1.00 0.00 WAT +ATOM 16319 OH2 TIP3 3337 6.739 19.181 -32.123 1.00 0.00 WAT +ATOM 16320 H1 TIP3 3337 6.924 18.226 -32.079 1.00 0.00 WAT +ATOM 16321 H2 TIP3 3337 6.680 19.314 -33.083 1.00 0.00 WAT +ATOM 16322 OH2 TIP3 3338 -0.342 17.254 -35.000 1.00 0.00 WAT +ATOM 16323 H1 TIP3 3338 -0.162 18.055 -35.531 1.00 0.00 WAT +ATOM 16324 H2 TIP3 3338 -0.677 16.668 -35.707 1.00 0.00 WAT +ATOM 16325 OH2 TIP3 3339 7.553 17.362 -36.737 1.00 0.00 WAT +ATOM 16326 H1 TIP3 3339 8.129 16.928 -36.071 1.00 0.00 WAT +ATOM 16327 H2 TIP3 3339 8.218 17.788 -37.298 1.00 0.00 WAT +ATOM 16328 OH2 TIP3 3340 -3.501 19.920 -34.525 1.00 0.00 WAT +ATOM 16329 H1 TIP3 3340 -2.960 19.367 -33.946 1.00 0.00 WAT +ATOM 16330 H2 TIP3 3340 -3.464 19.417 -35.361 1.00 0.00 WAT +ATOM 16331 OH2 TIP3 3341 1.453 21.180 -34.613 1.00 0.00 WAT +ATOM 16332 H1 TIP3 3341 2.308 20.757 -34.400 1.00 0.00 WAT +ATOM 16333 H2 TIP3 3341 1.135 20.615 -35.340 1.00 0.00 WAT +ATOM 16334 OH2 TIP3 3342 12.837 17.747 -29.511 1.00 0.00 WAT +ATOM 16335 H1 TIP3 3342 12.255 18.476 -29.789 1.00 0.00 WAT +ATOM 16336 H2 TIP3 3342 12.660 17.726 -28.560 1.00 0.00 WAT +ATOM 16337 OH2 TIP3 3343 -1.521 15.929 -30.925 1.00 0.00 WAT +ATOM 16338 H1 TIP3 3343 -1.830 16.579 -31.570 1.00 0.00 WAT +ATOM 16339 H2 TIP3 3343 -2.149 16.074 -30.188 1.00 0.00 WAT +ATOM 16340 OH2 TIP3 3344 6.003 25.738 -37.497 1.00 0.00 WAT +ATOM 16341 H1 TIP3 3344 5.700 25.540 -38.387 1.00 0.00 WAT +ATOM 16342 H2 TIP3 3344 5.574 26.592 -37.313 1.00 0.00 WAT +ATOM 16343 OH2 TIP3 3345 1.105 23.599 -31.122 1.00 0.00 WAT +ATOM 16344 H1 TIP3 3345 0.516 24.288 -30.746 1.00 0.00 WAT +ATOM 16345 H2 TIP3 3345 1.841 24.133 -31.476 1.00 0.00 WAT +ATOM 16346 OH2 TIP3 3346 9.371 16.624 -34.689 1.00 0.00 WAT +ATOM 16347 H1 TIP3 3346 9.043 15.978 -34.052 1.00 0.00 WAT +ATOM 16348 H2 TIP3 3346 9.904 17.210 -34.125 1.00 0.00 WAT +ATOM 16349 OH2 TIP3 3347 -1.554 18.180 -32.745 1.00 0.00 WAT +ATOM 16350 H1 TIP3 3347 -0.971 18.937 -32.627 1.00 0.00 WAT +ATOM 16351 H2 TIP3 3347 -1.133 17.743 -33.522 1.00 0.00 WAT +ATOM 16352 OH2 TIP3 3348 -0.520 25.681 -30.055 1.00 0.00 WAT +ATOM 16353 H1 TIP3 3348 -0.533 26.612 -30.344 1.00 0.00 WAT +ATOM 16354 H2 TIP3 3348 -1.380 25.638 -29.592 1.00 0.00 WAT +ATOM 16355 OH2 TIP3 3349 -4.225 25.599 -39.319 1.00 0.00 WAT +ATOM 16356 H1 TIP3 3349 -4.791 26.219 -39.791 1.00 0.00 WAT +ATOM 16357 H2 TIP3 3349 -3.974 26.157 -38.547 1.00 0.00 WAT +ATOM 16358 OH2 TIP3 3350 9.200 26.892 -32.389 1.00 0.00 WAT +ATOM 16359 H1 TIP3 3350 8.233 27.020 -32.365 1.00 0.00 WAT +ATOM 16360 H2 TIP3 3350 9.485 27.750 -32.752 1.00 0.00 WAT +ATOM 16361 OH2 TIP3 3351 9.542 15.743 -30.857 1.00 0.00 WAT +ATOM 16362 H1 TIP3 3351 8.754 16.130 -31.286 1.00 0.00 WAT +ATOM 16363 H2 TIP3 3351 10.250 15.951 -31.496 1.00 0.00 WAT +ATOM 16364 OH2 TIP3 3352 2.658 13.484 -33.809 1.00 0.00 WAT +ATOM 16365 H1 TIP3 3352 2.441 12.534 -33.857 1.00 0.00 WAT +ATOM 16366 H2 TIP3 3352 1.833 13.856 -33.430 1.00 0.00 WAT +ATOM 16367 OH2 TIP3 3353 7.502 28.834 -35.826 1.00 0.00 WAT +ATOM 16368 H1 TIP3 3353 7.993 28.051 -36.144 1.00 0.00 WAT +ATOM 16369 H2 TIP3 3353 8.183 29.530 -35.920 1.00 0.00 WAT +ATOM 16370 OH2 TIP3 3354 8.958 26.696 -37.207 1.00 0.00 WAT +ATOM 16371 H1 TIP3 3354 8.440 26.232 -37.879 1.00 0.00 WAT +ATOM 16372 H2 TIP3 3354 8.908 26.066 -36.463 1.00 0.00 WAT +ATOM 16373 OH2 TIP3 3355 10.488 25.526 -28.707 1.00 0.00 WAT +ATOM 16374 H1 TIP3 3355 10.397 24.869 -29.421 1.00 0.00 WAT +ATOM 16375 H2 TIP3 3355 10.621 26.353 -29.208 1.00 0.00 WAT +ATOM 16376 OH2 TIP3 3356 4.779 22.420 -39.049 1.00 0.00 WAT +ATOM 16377 H1 TIP3 3356 4.117 23.030 -39.427 1.00 0.00 WAT +ATOM 16378 H2 TIP3 3356 5.507 22.496 -39.684 1.00 0.00 WAT +ATOM 16379 OH2 TIP3 3357 4.963 20.637 -42.050 1.00 0.00 WAT +ATOM 16380 H1 TIP3 3357 5.656 20.956 -41.447 1.00 0.00 WAT +ATOM 16381 H2 TIP3 3357 5.497 20.034 -42.614 1.00 0.00 WAT +ATOM 16382 OH2 TIP3 3358 12.256 21.681 -30.771 1.00 0.00 WAT +ATOM 16383 H1 TIP3 3358 11.536 22.334 -30.668 1.00 0.00 WAT +ATOM 16384 H2 TIP3 3358 12.728 22.045 -31.545 1.00 0.00 WAT +ATOM 16385 OH2 TIP3 3359 8.267 22.420 -37.936 1.00 0.00 WAT +ATOM 16386 H1 TIP3 3359 7.586 22.628 -37.257 1.00 0.00 WAT +ATOM 16387 H2 TIP3 3359 8.871 21.854 -37.420 1.00 0.00 WAT +ATOM 16388 OH2 TIP3 3360 8.096 20.976 -29.070 1.00 0.00 WAT +ATOM 16389 H1 TIP3 3360 8.181 21.801 -28.563 1.00 0.00 WAT +ATOM 16390 H2 TIP3 3360 7.452 21.273 -29.731 1.00 0.00 WAT +ATOM 16391 OH2 TIP3 3361 -0.163 23.194 -36.171 1.00 0.00 WAT +ATOM 16392 H1 TIP3 3361 -0.426 22.734 -36.994 1.00 0.00 WAT +ATOM 16393 H2 TIP3 3361 0.444 22.558 -35.761 1.00 0.00 WAT +ATOM 16394 OH2 TIP3 3362 1.216 26.591 -33.414 1.00 0.00 WAT +ATOM 16395 H1 TIP3 3362 1.147 26.198 -34.294 1.00 0.00 WAT +ATOM 16396 H2 TIP3 3362 2.012 26.148 -33.062 1.00 0.00 WAT +ATOM 16397 OH2 TIP3 3363 6.401 27.517 -32.088 1.00 0.00 WAT +ATOM 16398 H1 TIP3 3363 6.421 28.196 -31.391 1.00 0.00 WAT +ATOM 16399 H2 TIP3 3363 6.180 26.702 -31.605 1.00 0.00 WAT +ATOM 16400 OH2 TIP3 3364 1.293 26.356 -27.845 1.00 0.00 WAT +ATOM 16401 H1 TIP3 3364 0.772 27.021 -27.357 1.00 0.00 WAT +ATOM 16402 H2 TIP3 3364 0.654 26.079 -28.529 1.00 0.00 WAT +ATOM 16403 OH2 TIP3 3365 7.342 21.891 -40.567 1.00 0.00 WAT +ATOM 16404 H1 TIP3 3365 7.768 22.145 -39.721 1.00 0.00 WAT +ATOM 16405 H2 TIP3 3365 7.947 22.307 -41.211 1.00 0.00 WAT +ATOM 16406 OH2 TIP3 3366 -1.945 22.912 -28.912 1.00 0.00 WAT +ATOM 16407 H1 TIP3 3366 -1.711 23.295 -28.048 1.00 0.00 WAT +ATOM 16408 H2 TIP3 3366 -2.841 22.574 -28.735 1.00 0.00 WAT +ATOM 16409 OH2 TIP3 3367 4.656 28.467 -36.943 1.00 0.00 WAT +ATOM 16410 H1 TIP3 3367 5.177 28.739 -36.177 1.00 0.00 WAT +ATOM 16411 H2 TIP3 3367 4.213 29.290 -37.200 1.00 0.00 WAT +ATOM 16412 OH2 TIP3 3368 -0.603 28.514 -27.021 1.00 0.00 WAT +ATOM 16413 H1 TIP3 3368 -0.717 28.550 -27.987 1.00 0.00 WAT +ATOM 16414 H2 TIP3 3368 -1.483 28.237 -26.704 1.00 0.00 WAT +ATOM 16415 OH2 TIP3 3369 10.606 13.447 -40.574 1.00 0.00 WAT +ATOM 16416 H1 TIP3 3369 9.731 13.730 -40.245 1.00 0.00 WAT +ATOM 16417 H2 TIP3 3369 10.867 14.198 -41.126 1.00 0.00 WAT +ATOM 16418 OH2 TIP3 3370 -1.216 21.924 -38.587 1.00 0.00 WAT +ATOM 16419 H1 TIP3 3370 -1.424 22.659 -39.187 1.00 0.00 WAT +ATOM 16420 H2 TIP3 3370 -1.855 21.249 -38.851 1.00 0.00 WAT +ATOM 16421 OH2 TIP3 3371 11.802 27.860 -42.495 1.00 0.00 WAT +ATOM 16422 H1 TIP3 3371 12.120 28.672 -42.070 1.00 0.00 WAT +ATOM 16423 H2 TIP3 3371 12.556 27.252 -42.419 1.00 0.00 WAT +ATOM 16424 OH2 TIP3 3372 -5.131 24.608 -29.906 1.00 0.00 WAT +ATOM 16425 H1 TIP3 3372 -5.630 24.613 -30.747 1.00 0.00 WAT +ATOM 16426 H2 TIP3 3372 -5.046 23.657 -29.715 1.00 0.00 WAT +ATOM 16427 OH2 TIP3 3373 -5.083 27.528 -32.979 1.00 0.00 WAT +ATOM 16428 H1 TIP3 3373 -4.153 27.274 -32.883 1.00 0.00 WAT +ATOM 16429 H2 TIP3 3373 -5.186 28.146 -32.241 1.00 0.00 WAT +ATOM 16430 OH2 TIP3 3374 13.285 28.145 -27.197 1.00 0.00 WAT +ATOM 16431 H1 TIP3 3374 13.177 27.192 -27.367 1.00 0.00 WAT +ATOM 16432 H2 TIP3 3374 12.378 28.383 -26.904 1.00 0.00 WAT +ATOM 16433 OH2 TIP3 3375 3.952 27.373 -28.386 1.00 0.00 WAT +ATOM 16434 H1 TIP3 3375 4.013 28.204 -27.873 1.00 0.00 WAT +ATOM 16435 H2 TIP3 3375 3.042 27.079 -28.177 1.00 0.00 WAT +ATOM 16436 OH2 TIP3 3376 4.247 31.162 -38.479 1.00 0.00 WAT +ATOM 16437 H1 TIP3 3376 4.259 31.304 -39.442 1.00 0.00 WAT +ATOM 16438 H2 TIP3 3376 4.272 32.069 -38.131 1.00 0.00 WAT +ATOM 16439 OH2 TIP3 3377 -1.981 30.257 -36.837 1.00 0.00 WAT +ATOM 16440 H1 TIP3 3377 -1.799 29.868 -35.956 1.00 0.00 WAT +ATOM 16441 H2 TIP3 3377 -2.898 29.989 -36.974 1.00 0.00 WAT +ATOM 16442 OH2 TIP3 3378 7.477 30.776 -41.395 1.00 0.00 WAT +ATOM 16443 H1 TIP3 3378 7.930 30.198 -42.043 1.00 0.00 WAT +ATOM 16444 H2 TIP3 3378 7.520 30.241 -40.586 1.00 0.00 WAT +ATOM 16445 OH2 TIP3 3379 6.958 30.042 -38.633 1.00 0.00 WAT +ATOM 16446 H1 TIP3 3379 6.033 30.240 -38.407 1.00 0.00 WAT +ATOM 16447 H2 TIP3 3379 7.183 29.393 -37.949 1.00 0.00 WAT +ATOM 16448 OH2 TIP3 3380 10.134 19.500 -26.805 1.00 0.00 WAT +ATOM 16449 H1 TIP3 3380 9.532 19.895 -27.452 1.00 0.00 WAT +ATOM 16450 H2 TIP3 3380 10.130 18.564 -27.075 1.00 0.00 WAT +ATOM 16451 OH2 TIP3 3381 -2.925 26.156 -28.669 1.00 0.00 WAT +ATOM 16452 H1 TIP3 3381 -2.656 25.689 -27.851 1.00 0.00 WAT +ATOM 16453 H2 TIP3 3381 -3.665 25.612 -28.993 1.00 0.00 WAT +ATOM 16454 OH2 TIP3 3382 0.242 14.661 -32.907 1.00 0.00 WAT +ATOM 16455 H1 TIP3 3382 -0.581 14.556 -33.415 1.00 0.00 WAT +ATOM 16456 H2 TIP3 3382 -0.042 15.329 -32.262 1.00 0.00 WAT +ATOM 16457 OH2 TIP3 3383 4.878 13.891 -28.998 1.00 0.00 WAT +ATOM 16458 H1 TIP3 3383 4.944 13.325 -28.217 1.00 0.00 WAT +ATOM 16459 H2 TIP3 3383 3.914 13.950 -29.104 1.00 0.00 WAT +ATOM 16460 OH2 TIP3 3384 7.753 17.987 -28.646 1.00 0.00 WAT +ATOM 16461 H1 TIP3 3384 7.128 17.826 -27.910 1.00 0.00 WAT +ATOM 16462 H2 TIP3 3384 7.655 18.937 -28.820 1.00 0.00 WAT +ATOM 16463 OH2 TIP3 3385 9.590 22.677 -42.514 1.00 0.00 WAT +ATOM 16464 H1 TIP3 3385 9.095 22.524 -43.335 1.00 0.00 WAT +ATOM 16465 H2 TIP3 3385 9.886 23.583 -42.674 1.00 0.00 WAT +ATOM 16466 OH2 TIP3 3386 4.445 16.580 -42.151 1.00 0.00 WAT +ATOM 16467 H1 TIP3 3386 3.874 16.619 -41.373 1.00 0.00 WAT +ATOM 16468 H2 TIP3 3386 3.980 15.920 -42.680 1.00 0.00 WAT +ATOM 16469 OH2 TIP3 3387 0.073 19.529 -36.589 1.00 0.00 WAT +ATOM 16470 H1 TIP3 3387 -0.877 19.427 -36.780 1.00 0.00 WAT +ATOM 16471 H2 TIP3 3387 0.447 19.318 -37.471 1.00 0.00 WAT +ATOM 16472 OH2 TIP3 3388 5.712 20.039 -37.862 1.00 0.00 WAT +ATOM 16473 H1 TIP3 3388 5.307 20.864 -38.202 1.00 0.00 WAT +ATOM 16474 H2 TIP3 3388 6.358 19.840 -38.563 1.00 0.00 WAT +ATOM 16475 OH2 TIP3 3389 6.491 19.442 -35.049 1.00 0.00 WAT +ATOM 16476 H1 TIP3 3389 6.223 20.019 -35.792 1.00 0.00 WAT +ATOM 16477 H2 TIP3 3389 6.717 18.635 -35.555 1.00 0.00 WAT +ATOM 16478 OH2 TIP3 3390 -2.678 19.621 -29.732 1.00 0.00 WAT +ATOM 16479 H1 TIP3 3390 -2.118 19.852 -28.981 1.00 0.00 WAT +ATOM 16480 H2 TIP3 3390 -2.879 18.689 -29.542 1.00 0.00 WAT +ATOM 16481 OH2 TIP3 3391 1.201 17.026 -43.114 1.00 0.00 WAT +ATOM 16482 H1 TIP3 3391 0.787 16.710 -42.290 1.00 0.00 WAT +ATOM 16483 H2 TIP3 3391 0.428 17.446 -43.550 1.00 0.00 WAT +ATOM 16484 OH2 TIP3 3392 -5.683 17.093 -35.962 1.00 0.00 WAT +ATOM 16485 H1 TIP3 3392 -5.018 17.003 -35.259 1.00 0.00 WAT +ATOM 16486 H2 TIP3 3392 -5.263 16.679 -36.739 1.00 0.00 WAT +ATOM 16487 OH2 TIP3 3393 -4.037 17.547 -40.268 1.00 0.00 WAT +ATOM 16488 H1 TIP3 3393 -3.557 17.916 -41.030 1.00 0.00 WAT +ATOM 16489 H2 TIP3 3393 -4.820 18.117 -40.203 1.00 0.00 WAT +ATOM 16490 OH2 TIP3 3394 5.471 21.016 -30.502 1.00 0.00 WAT +ATOM 16491 H1 TIP3 3394 5.985 20.357 -31.023 1.00 0.00 WAT +ATOM 16492 H2 TIP3 3394 5.306 20.536 -29.680 1.00 0.00 WAT +ATOM 16493 OH2 TIP3 3395 2.772 17.064 -35.590 1.00 0.00 WAT +ATOM 16494 H1 TIP3 3395 1.833 16.992 -35.358 1.00 0.00 WAT +ATOM 16495 H2 TIP3 3395 3.204 16.878 -34.740 1.00 0.00 WAT +ATOM 16496 OH2 TIP3 3396 -2.608 18.331 -36.914 1.00 0.00 WAT +ATOM 16497 H1 TIP3 3396 -3.435 18.556 -37.373 1.00 0.00 WAT +ATOM 16498 H2 TIP3 3396 -2.311 17.532 -37.391 1.00 0.00 WAT +ATOM 16499 OH2 TIP3 3397 0.987 18.765 -39.181 1.00 0.00 WAT +ATOM 16500 H1 TIP3 3397 1.960 18.730 -39.168 1.00 0.00 WAT +ATOM 16501 H2 TIP3 3397 0.779 19.266 -39.986 1.00 0.00 WAT +ATOM 16502 OH2 TIP3 3398 7.135 16.254 -32.454 1.00 0.00 WAT +ATOM 16503 H1 TIP3 3398 6.472 16.270 -31.728 1.00 0.00 WAT +ATOM 16504 H2 TIP3 3398 6.588 15.894 -33.172 1.00 0.00 WAT +ATOM 16505 OH2 TIP3 3399 -0.459 19.897 -41.608 1.00 0.00 WAT +ATOM 16506 H1 TIP3 3399 -1.047 19.339 -42.143 1.00 0.00 WAT +ATOM 16507 H2 TIP3 3399 0.309 19.996 -42.188 1.00 0.00 WAT +ATOM 16508 OH2 TIP3 3400 10.179 32.039 -25.885 1.00 0.00 WAT +ATOM 16509 H1 TIP3 3400 10.426 32.448 -26.733 1.00 0.00 WAT +ATOM 16510 H2 TIP3 3400 10.917 32.310 -25.313 1.00 0.00 WAT +ATOM 16511 OH2 TIP3 3401 -1.881 24.619 -26.461 1.00 0.00 WAT +ATOM 16512 H1 TIP3 3401 -1.206 24.701 -25.756 1.00 0.00 WAT +ATOM 16513 H2 TIP3 3401 -2.687 24.614 -25.910 1.00 0.00 WAT +ATOM 16514 OH2 TIP3 3402 3.783 19.637 -33.796 1.00 0.00 WAT +ATOM 16515 H1 TIP3 3402 4.553 19.199 -34.192 1.00 0.00 WAT +ATOM 16516 H2 TIP3 3402 3.635 19.118 -32.984 1.00 0.00 WAT +ATOM 16517 OH2 TIP3 3403 -0.833 16.048 -37.568 1.00 0.00 WAT +ATOM 16518 H1 TIP3 3403 -1.422 15.280 -37.485 1.00 0.00 WAT +ATOM 16519 H2 TIP3 3403 -0.042 15.653 -37.962 1.00 0.00 WAT +ATOM 16520 OH2 TIP3 3404 2.541 18.569 -31.251 1.00 0.00 WAT +ATOM 16521 H1 TIP3 3404 1.711 18.572 -30.776 1.00 0.00 WAT +ATOM 16522 H2 TIP3 3404 3.158 18.497 -30.500 1.00 0.00 WAT +ATOM 16523 OH2 TIP3 3405 2.926 24.499 -39.635 1.00 0.00 WAT +ATOM 16524 H1 TIP3 3405 2.163 23.987 -39.972 1.00 0.00 WAT +ATOM 16525 H2 TIP3 3405 2.741 24.547 -38.668 1.00 0.00 WAT +ATOM 16526 OH2 TIP3 3406 10.161 23.634 -30.874 1.00 0.00 WAT +ATOM 16527 H1 TIP3 3406 10.660 24.179 -31.521 1.00 0.00 WAT +ATOM 16528 H2 TIP3 3406 9.305 23.528 -31.333 1.00 0.00 WAT +ATOM 16529 OH2 TIP3 3407 7.103 17.222 -41.811 1.00 0.00 WAT +ATOM 16530 H1 TIP3 3407 6.124 17.215 -41.870 1.00 0.00 WAT +ATOM 16531 H2 TIP3 3407 7.302 18.007 -41.263 1.00 0.00 WAT +ATOM 16532 OH2 TIP3 3408 4.464 24.439 -28.338 1.00 0.00 WAT +ATOM 16533 H1 TIP3 3408 4.317 24.114 -27.438 1.00 0.00 WAT +ATOM 16534 H2 TIP3 3408 4.278 25.388 -28.255 1.00 0.00 WAT +ATOM 16535 OH2 TIP3 3409 7.702 19.101 -39.871 1.00 0.00 WAT +ATOM 16536 H1 TIP3 3409 8.571 18.919 -39.461 1.00 0.00 WAT +ATOM 16537 H2 TIP3 3409 7.851 19.964 -40.297 1.00 0.00 WAT +ATOM 16538 OH2 TIP3 3410 -1.799 23.798 -33.735 1.00 0.00 WAT +ATOM 16539 H1 TIP3 3410 -1.277 23.728 -34.555 1.00 0.00 WAT +ATOM 16540 H2 TIP3 3410 -1.740 22.903 -33.374 1.00 0.00 WAT +ATOM 16541 OH2 TIP3 3411 5.382 25.812 -40.681 1.00 0.00 WAT +ATOM 16542 H1 TIP3 3411 5.094 26.701 -40.386 1.00 0.00 WAT +ATOM 16543 H2 TIP3 3411 4.602 25.286 -40.425 1.00 0.00 WAT +ATOM 16544 OH2 TIP3 3412 -4.666 22.115 -28.516 1.00 0.00 WAT +ATOM 16545 H1 TIP3 3412 -4.496 21.667 -27.663 1.00 0.00 WAT +ATOM 16546 H2 TIP3 3412 -5.291 21.515 -28.953 1.00 0.00 WAT +ATOM 16547 OH2 TIP3 3413 2.310 21.754 -26.637 1.00 0.00 WAT +ATOM 16548 H1 TIP3 3413 2.017 21.127 -27.311 1.00 0.00 WAT +ATOM 16549 H2 TIP3 3413 3.163 21.349 -26.433 1.00 0.00 WAT +ATOM 16550 OH2 TIP3 3414 6.832 27.047 -28.811 1.00 0.00 WAT +ATOM 16551 H1 TIP3 3414 5.869 27.168 -28.868 1.00 0.00 WAT +ATOM 16552 H2 TIP3 3414 7.012 27.318 -27.897 1.00 0.00 WAT +ATOM 16553 OH2 TIP3 3415 12.413 19.202 -39.976 1.00 0.00 WAT +ATOM 16554 H1 TIP3 3415 11.806 18.977 -40.708 1.00 0.00 WAT +ATOM 16555 H2 TIP3 3415 12.526 20.148 -40.176 1.00 0.00 WAT +ATOM 16556 OH2 TIP3 3416 12.823 25.184 -27.242 1.00 0.00 WAT +ATOM 16557 H1 TIP3 3416 11.881 25.389 -27.425 1.00 0.00 WAT +ATOM 16558 H2 TIP3 3416 13.148 24.991 -28.143 1.00 0.00 WAT +ATOM 16559 OH2 TIP3 3417 10.637 27.745 -39.916 1.00 0.00 WAT +ATOM 16560 H1 TIP3 3417 10.355 26.980 -39.395 1.00 0.00 WAT +ATOM 16561 H2 TIP3 3417 10.975 27.340 -40.730 1.00 0.00 WAT +ATOM 16562 OH2 TIP3 3418 7.815 23.064 -32.560 1.00 0.00 WAT +ATOM 16563 H1 TIP3 3418 6.884 22.914 -32.811 1.00 0.00 WAT +ATOM 16564 H2 TIP3 3418 8.258 22.348 -33.055 1.00 0.00 WAT +ATOM 16565 OH2 TIP3 3419 0.440 27.140 -36.539 1.00 0.00 WAT +ATOM 16566 H1 TIP3 3419 0.891 27.994 -36.641 1.00 0.00 WAT +ATOM 16567 H2 TIP3 3419 -0.469 27.378 -36.753 1.00 0.00 WAT +ATOM 16568 OH2 TIP3 3420 -3.555 22.359 -42.086 1.00 0.00 WAT +ATOM 16569 H1 TIP3 3420 -2.911 22.673 -41.423 1.00 0.00 WAT +ATOM 16570 H2 TIP3 3420 -4.377 22.230 -41.567 1.00 0.00 WAT +ATOM 16571 OH2 TIP3 3421 2.278 24.823 -36.921 1.00 0.00 WAT +ATOM 16572 H1 TIP3 3421 2.039 25.751 -36.770 1.00 0.00 WAT +ATOM 16573 H2 TIP3 3421 1.541 24.368 -36.488 1.00 0.00 WAT +ATOM 16574 OH2 TIP3 3422 2.446 29.099 -30.553 1.00 0.00 WAT +ATOM 16575 H1 TIP3 3422 2.996 29.852 -30.830 1.00 0.00 WAT +ATOM 16576 H2 TIP3 3422 3.066 28.609 -29.990 1.00 0.00 WAT +ATOM 16577 OH2 TIP3 3423 0.899 30.040 -37.332 1.00 0.00 WAT +ATOM 16578 H1 TIP3 3423 -0.055 30.197 -37.244 1.00 0.00 WAT +ATOM 16579 H2 TIP3 3423 1.261 30.911 -37.075 1.00 0.00 WAT +ATOM 16580 OH2 TIP3 3424 5.857 24.837 -30.989 1.00 0.00 WAT +ATOM 16581 H1 TIP3 3424 5.578 24.579 -30.093 1.00 0.00 WAT +ATOM 16582 H2 TIP3 3424 6.616 24.250 -31.143 1.00 0.00 WAT +ATOM 16583 OH2 TIP3 3425 8.009 26.092 -41.937 1.00 0.00 WAT +ATOM 16584 H1 TIP3 3425 8.499 25.662 -41.211 1.00 0.00 WAT +ATOM 16585 H2 TIP3 3425 7.109 26.029 -41.580 1.00 0.00 WAT +ATOM 16586 OH2 TIP3 3426 8.791 29.426 -28.585 1.00 0.00 WAT +ATOM 16587 H1 TIP3 3426 8.040 28.970 -29.013 1.00 0.00 WAT +ATOM 16588 H2 TIP3 3426 8.902 30.213 -29.150 1.00 0.00 WAT +ATOM 16589 OH2 TIP3 3427 12.916 30.596 -41.596 1.00 0.00 WAT +ATOM 16590 H1 TIP3 3427 13.607 31.276 -41.439 1.00 0.00 WAT +ATOM 16591 H2 TIP3 3427 12.111 31.096 -41.342 1.00 0.00 WAT +ATOM 16592 OH2 TIP3 3428 -3.348 16.795 -28.923 1.00 0.00 WAT +ATOM 16593 H1 TIP3 3428 -4.259 17.046 -29.168 1.00 0.00 WAT +ATOM 16594 H2 TIP3 3428 -3.490 15.928 -28.504 1.00 0.00 WAT +ATOM 16595 OH2 TIP3 3429 9.000 24.732 -39.681 1.00 0.00 WAT +ATOM 16596 H1 TIP3 3429 8.736 24.029 -39.060 1.00 0.00 WAT +ATOM 16597 H2 TIP3 3429 9.972 24.709 -39.596 1.00 0.00 WAT +ATOM 16598 OH2 TIP3 3430 -3.581 28.533 -30.508 1.00 0.00 WAT +ATOM 16599 H1 TIP3 3430 -3.276 27.635 -30.308 1.00 0.00 WAT +ATOM 16600 H2 TIP3 3430 -3.383 28.977 -29.674 1.00 0.00 WAT +ATOM 16601 OH2 TIP3 3431 2.494 27.163 -43.252 1.00 0.00 WAT +ATOM 16602 H1 TIP3 3431 2.895 26.330 -43.556 1.00 0.00 WAT +ATOM 16603 H2 TIP3 3431 1.945 26.844 -42.514 1.00 0.00 WAT +ATOM 16604 OH2 TIP3 3432 0.894 26.685 -40.680 1.00 0.00 WAT +ATOM 16605 H1 TIP3 3432 1.512 26.171 -40.141 1.00 0.00 WAT +ATOM 16606 H2 TIP3 3432 1.160 27.606 -40.496 1.00 0.00 WAT +ATOM 16607 OH2 TIP3 3433 -2.096 24.121 -40.379 1.00 0.00 WAT +ATOM 16608 H1 TIP3 3433 -2.749 24.608 -39.837 1.00 0.00 WAT +ATOM 16609 H2 TIP3 3433 -1.524 24.859 -40.663 1.00 0.00 WAT +ATOM 16610 OH2 TIP3 3434 5.441 16.699 -30.362 1.00 0.00 WAT +ATOM 16611 H1 TIP3 3434 5.893 17.166 -29.646 1.00 0.00 WAT +ATOM 16612 H2 TIP3 3434 4.967 16.013 -29.873 1.00 0.00 WAT +ATOM 16613 OH2 TIP3 3435 6.211 16.177 -39.204 1.00 0.00 WAT +ATOM 16614 H1 TIP3 3435 6.508 16.667 -39.990 1.00 0.00 WAT +ATOM 16615 H2 TIP3 3435 6.732 16.593 -38.500 1.00 0.00 WAT +ATOM 16616 OH2 TIP3 3436 4.006 28.298 -40.305 1.00 0.00 WAT +ATOM 16617 H1 TIP3 3436 3.255 28.830 -40.004 1.00 0.00 WAT +ATOM 16618 H2 TIP3 3436 4.557 28.973 -40.720 1.00 0.00 WAT +ATOM 16619 OH2 TIP3 3437 3.644 18.090 -38.153 1.00 0.00 WAT +ATOM 16620 H1 TIP3 3437 4.438 18.645 -38.012 1.00 0.00 WAT +ATOM 16621 H2 TIP3 3437 3.359 17.915 -37.236 1.00 0.00 WAT +ATOM 16622 OH2 TIP3 3438 4.298 15.099 -37.237 1.00 0.00 WAT +ATOM 16623 H1 TIP3 3438 4.085 15.789 -36.582 1.00 0.00 WAT +ATOM 16624 H2 TIP3 3438 5.001 15.540 -37.756 1.00 0.00 WAT +ATOM 16625 OH2 TIP3 3439 1.163 29.511 -40.269 1.00 0.00 WAT +ATOM 16626 H1 TIP3 3439 1.280 30.364 -40.737 1.00 0.00 WAT +ATOM 16627 H2 TIP3 3439 1.095 29.790 -39.338 1.00 0.00 WAT +ATOM 16628 OH2 TIP3 3440 0.004 16.186 -40.795 1.00 0.00 WAT +ATOM 16629 H1 TIP3 3440 -0.058 16.871 -40.113 1.00 0.00 WAT +ATOM 16630 H2 TIP3 3440 0.738 15.637 -40.462 1.00 0.00 WAT +ATOM 16631 OH2 TIP3 3441 10.264 16.918 -28.156 1.00 0.00 WAT +ATOM 16632 H1 TIP3 3441 9.315 17.122 -28.283 1.00 0.00 WAT +ATOM 16633 H2 TIP3 3441 10.516 16.806 -29.084 1.00 0.00 WAT +ATOM 16634 OH2 TIP3 3442 8.818 20.817 -34.083 1.00 0.00 WAT +ATOM 16635 H1 TIP3 3442 8.001 20.361 -34.357 1.00 0.00 WAT +ATOM 16636 H2 TIP3 3442 9.305 20.105 -33.614 1.00 0.00 WAT +ATOM 16637 OH2 TIP3 3443 -1.949 26.809 -41.597 1.00 0.00 WAT +ATOM 16638 H1 TIP3 3443 -1.252 27.285 -41.117 1.00 0.00 WAT +ATOM 16639 H2 TIP3 3443 -1.431 26.474 -42.347 1.00 0.00 WAT +ATOM 16640 OH2 TIP3 3444 -3.298 19.277 -42.646 1.00 0.00 WAT +ATOM 16641 H1 TIP3 3444 -3.286 20.209 -42.387 1.00 0.00 WAT +ATOM 16642 H2 TIP3 3444 -4.218 19.144 -42.939 1.00 0.00 WAT +ATOM 16643 OH2 TIP3 3445 9.838 29.671 -32.693 1.00 0.00 WAT +ATOM 16644 H1 TIP3 3445 9.661 30.484 -33.208 1.00 0.00 WAT +ATOM 16645 H2 TIP3 3445 10.765 29.823 -32.452 1.00 0.00 WAT +ATOM 16646 OH2 TIP3 3446 -2.567 14.204 -33.710 1.00 0.00 WAT +ATOM 16647 H1 TIP3 3446 -2.743 14.168 -34.673 1.00 0.00 WAT +ATOM 16648 H2 TIP3 3446 -2.897 13.340 -33.403 1.00 0.00 WAT +ATOM 16649 OH2 TIP3 3447 -3.750 27.615 -37.509 1.00 0.00 WAT +ATOM 16650 H1 TIP3 3447 -4.441 28.202 -37.171 1.00 0.00 WAT +ATOM 16651 H2 TIP3 3447 -3.239 28.205 -38.080 1.00 0.00 WAT +ATOM 16652 OH2 TIP3 3448 -4.238 30.579 -26.302 1.00 0.00 WAT +ATOM 16653 H1 TIP3 3448 -3.685 30.311 -25.543 1.00 0.00 WAT +ATOM 16654 H2 TIP3 3448 -4.645 29.730 -26.563 1.00 0.00 WAT +ATOM 16655 OH2 TIP3 3449 0.411 29.577 -24.422 1.00 0.00 WAT +ATOM 16656 H1 TIP3 3449 1.153 28.960 -24.317 1.00 0.00 WAT +ATOM 16657 H2 TIP3 3449 0.181 29.420 -25.352 1.00 0.00 WAT +ATOM 16658 OH2 TIP3 3450 4.648 29.009 -43.339 1.00 0.00 WAT +ATOM 16659 H1 TIP3 3450 3.856 28.443 -43.244 1.00 0.00 WAT +ATOM 16660 H2 TIP3 3450 5.319 28.334 -43.522 1.00 0.00 WAT +ATOM 16661 OH2 TIP3 3451 6.891 27.926 -25.897 1.00 0.00 WAT +ATOM 16662 H1 TIP3 3451 6.526 27.093 -25.542 1.00 0.00 WAT +ATOM 16663 H2 TIP3 3451 7.610 28.124 -25.270 1.00 0.00 WAT +ATOM 16664 OH2 TIP3 3452 8.515 28.686 -42.906 1.00 0.00 WAT +ATOM 16665 H1 TIP3 3452 8.804 27.904 -42.415 1.00 0.00 WAT +ATOM 16666 H2 TIP3 3452 9.350 29.133 -43.156 1.00 0.00 WAT +ATOM 16667 OH2 TIP3 3453 -4.305 24.209 -25.152 1.00 0.00 WAT +ATOM 16668 H1 TIP3 3453 -4.203 23.310 -25.502 1.00 0.00 WAT +ATOM 16669 H2 TIP3 3453 -5.065 24.525 -25.679 1.00 0.00 WAT +ATOM 16670 OH2 TIP3 3454 -0.063 24.814 -43.029 1.00 0.00 WAT +ATOM 16671 H1 TIP3 3454 0.110 24.074 -42.432 1.00 0.00 WAT +ATOM 16672 H2 TIP3 3454 0.567 24.648 -43.747 1.00 0.00 WAT +ATOM 16673 OH2 TIP3 3455 2.359 24.534 -25.783 1.00 0.00 WAT +ATOM 16674 H1 TIP3 3455 2.053 24.806 -26.664 1.00 0.00 WAT +ATOM 16675 H2 TIP3 3455 2.511 23.575 -25.903 1.00 0.00 WAT +ATOM 16676 OH2 TIP3 3456 5.263 25.816 -43.472 1.00 0.00 WAT +ATOM 16677 H1 TIP3 3456 5.428 25.930 -42.518 1.00 0.00 WAT +ATOM 16678 H2 TIP3 3456 5.914 25.143 -43.719 1.00 0.00 WAT +ATOM 16679 OH2 TIP3 3457 7.688 24.016 -28.445 1.00 0.00 WAT +ATOM 16680 H1 TIP3 3457 8.496 24.527 -28.614 1.00 0.00 WAT +ATOM 16681 H2 TIP3 3457 7.024 24.723 -28.443 1.00 0.00 WAT +ATOM 16682 OH2 TIP3 3458 -3.394 21.331 -26.018 1.00 0.00 WAT +ATOM 16683 H1 TIP3 3458 -2.725 20.628 -26.016 1.00 0.00 WAT +ATOM 16684 H2 TIP3 3458 -3.429 21.551 -25.073 1.00 0.00 WAT +ATOM 16685 OH2 TIP3 3459 0.975 22.715 -40.886 1.00 0.00 WAT +ATOM 16686 H1 TIP3 3459 0.409 22.196 -40.298 1.00 0.00 WAT +ATOM 16687 H2 TIP3 3459 1.354 22.020 -41.458 1.00 0.00 WAT +ATOM 16688 OH2 TIP3 3460 0.145 20.682 -29.086 1.00 0.00 WAT +ATOM 16689 H1 TIP3 3460 -0.185 20.915 -28.206 1.00 0.00 WAT +ATOM 16690 H2 TIP3 3460 1.113 20.693 -28.949 1.00 0.00 WAT +ATOM 16691 OH2 TIP3 3461 2.179 20.875 -42.766 1.00 0.00 WAT +ATOM 16692 H1 TIP3 3461 2.219 20.548 -43.678 1.00 0.00 WAT +ATOM 16693 H2 TIP3 3461 3.128 20.821 -42.520 1.00 0.00 WAT +ATOM 16694 OH2 TIP3 3462 5.344 22.945 -25.211 1.00 0.00 WAT +ATOM 16695 H1 TIP3 3462 6.291 22.850 -25.395 1.00 0.00 WAT +ATOM 16696 H2 TIP3 3462 5.232 22.277 -24.512 1.00 0.00 WAT +ATOM 16697 OH2 TIP3 3463 0.962 16.120 -29.818 1.00 0.00 WAT +ATOM 16698 H1 TIP3 3463 1.525 16.803 -30.193 1.00 0.00 WAT +ATOM 16699 H2 TIP3 3463 0.085 16.242 -30.228 1.00 0.00 WAT +ATOM 16700 OH2 TIP3 3464 2.615 21.584 -29.909 1.00 0.00 WAT +ATOM 16701 H1 TIP3 3464 3.576 21.490 -30.031 1.00 0.00 WAT +ATOM 16702 H2 TIP3 3464 2.531 22.544 -29.803 1.00 0.00 WAT +ATOM 16703 OH2 TIP3 3465 7.166 19.692 -24.825 1.00 0.00 WAT +ATOM 16704 H1 TIP3 3465 7.319 18.743 -24.741 1.00 0.00 WAT +ATOM 16705 H2 TIP3 3465 8.054 20.062 -24.747 1.00 0.00 WAT +ATOM 16706 OH2 TIP3 3466 8.303 22.489 -26.215 1.00 0.00 WAT +ATOM 16707 H1 TIP3 3466 7.950 23.073 -26.915 1.00 0.00 WAT +ATOM 16708 H2 TIP3 3466 9.170 22.270 -26.602 1.00 0.00 WAT +ATOM 16709 OH2 TIP3 3467 -0.756 19.494 -25.988 1.00 0.00 WAT +ATOM 16710 H1 TIP3 3467 -1.303 18.701 -25.840 1.00 0.00 WAT +ATOM 16711 H2 TIP3 3467 0.094 19.110 -26.259 1.00 0.00 WAT +ATOM 16712 OH2 TIP3 3468 2.034 13.712 -29.645 1.00 0.00 WAT +ATOM 16713 H1 TIP3 3468 1.694 14.641 -29.629 1.00 0.00 WAT +ATOM 16714 H2 TIP3 3468 1.308 13.283 -30.134 1.00 0.00 WAT +ATOM 16715 OH2 TIP3 3469 5.851 17.095 -26.675 1.00 0.00 WAT +ATOM 16716 H1 TIP3 3469 4.947 17.457 -26.758 1.00 0.00 WAT +ATOM 16717 H2 TIP3 3469 5.733 16.452 -25.971 1.00 0.00 WAT +ATOM 16718 OH2 TIP3 3470 7.579 14.700 -25.063 1.00 0.00 WAT +ATOM 16719 H1 TIP3 3470 7.126 14.338 -24.286 1.00 0.00 WAT +ATOM 16720 H2 TIP3 3470 7.521 15.652 -24.862 1.00 0.00 WAT +ATOM 16721 OH2 TIP3 3471 -2.282 17.060 -25.803 1.00 0.00 WAT +ATOM 16722 H1 TIP3 3471 -2.409 16.344 -26.447 1.00 0.00 WAT +ATOM 16723 H2 TIP3 3471 -2.515 16.612 -24.969 1.00 0.00 WAT +ATOM 16724 OH2 TIP3 3472 1.684 13.025 -26.814 1.00 0.00 WAT +ATOM 16725 H1 TIP3 3472 2.354 12.330 -26.747 1.00 0.00 WAT +ATOM 16726 H2 TIP3 3472 1.719 13.236 -27.765 1.00 0.00 WAT +ATOM 16727 OH2 TIP3 3473 2.665 14.876 -24.948 1.00 0.00 WAT +ATOM 16728 H1 TIP3 3473 2.295 14.336 -25.675 1.00 0.00 WAT +ATOM 16729 H2 TIP3 3473 2.161 15.700 -25.024 1.00 0.00 WAT +ATOM 16730 OH2 TIP3 3474 1.782 31.927 -41.752 1.00 0.00 WAT +ATOM 16731 H1 TIP3 3474 2.716 32.129 -41.586 1.00 0.00 WAT +ATOM 16732 H2 TIP3 3474 1.528 32.591 -42.412 1.00 0.00 WAT +ATOM 16733 OH2 TIP3 3475 -5.300 31.510 -37.235 1.00 0.00 WAT +ATOM 16734 H1 TIP3 3475 -6.061 31.198 -37.765 1.00 0.00 WAT +ATOM 16735 H2 TIP3 3475 -5.301 30.874 -36.494 1.00 0.00 WAT +ATOM 16736 OH2 TIP3 3476 -4.945 29.537 -35.219 1.00 0.00 WAT +ATOM 16737 H1 TIP3 3476 -5.286 28.700 -34.861 1.00 0.00 WAT +ATOM 16738 H2 TIP3 3476 -4.646 29.943 -34.389 1.00 0.00 WAT +ATOM 16739 OH2 TIP3 3477 12.561 30.822 -32.190 1.00 0.00 WAT +ATOM 16740 H1 TIP3 3477 12.722 30.826 -31.234 1.00 0.00 WAT +ATOM 16741 H2 TIP3 3477 13.403 31.152 -32.529 1.00 0.00 WAT +ATOM 16742 OH2 TIP3 3478 12.454 30.293 -29.311 1.00 0.00 WAT +ATOM 16743 H1 TIP3 3478 11.944 29.547 -29.678 1.00 0.00 WAT +ATOM 16744 H2 TIP3 3478 13.009 29.820 -28.671 1.00 0.00 WAT +ATOM 16745 OH2 TIP3 3479 10.429 25.753 -25.056 1.00 0.00 WAT +ATOM 16746 H1 TIP3 3479 9.578 25.795 -24.587 1.00 0.00 WAT +ATOM 16747 H2 TIP3 3479 10.909 26.522 -24.705 1.00 0.00 WAT +ATOM 16748 OH2 TIP3 3480 11.850 24.560 -39.299 1.00 0.00 WAT +ATOM 16749 H1 TIP3 3480 12.750 24.911 -39.162 1.00 0.00 WAT +ATOM 16750 H2 TIP3 3480 11.805 23.919 -38.564 1.00 0.00 WAT +ATOM 16751 OH2 TIP3 3481 12.307 22.562 -37.319 1.00 0.00 WAT +ATOM 16752 H1 TIP3 3481 11.637 22.004 -36.878 1.00 0.00 WAT +ATOM 16753 H2 TIP3 3481 12.986 22.692 -36.629 1.00 0.00 WAT +ATOM 16754 OH2 TIP3 3482 12.036 25.078 -32.337 1.00 0.00 WAT +ATOM 16755 H1 TIP3 3482 12.663 24.592 -32.896 1.00 0.00 WAT +ATOM 16756 H2 TIP3 3482 12.167 25.993 -32.640 1.00 0.00 WAT +ATOM 16757 OH2 TIP3 3483 10.757 27.998 -30.095 1.00 0.00 WAT +ATOM 16758 H1 TIP3 3483 10.024 28.398 -29.595 1.00 0.00 WAT +ATOM 16759 H2 TIP3 3483 10.296 27.640 -30.879 1.00 0.00 WAT +ATOM 16760 OH2 TIP3 3484 12.602 22.243 -41.085 1.00 0.00 WAT +ATOM 16761 H1 TIP3 3484 11.959 22.512 -41.759 1.00 0.00 WAT +ATOM 16762 H2 TIP3 3484 12.406 22.898 -40.395 1.00 0.00 WAT +ATOM 16763 OH2 TIP3 3485 10.796 19.608 -42.156 1.00 0.00 WAT +ATOM 16764 H1 TIP3 3485 11.083 20.352 -42.709 1.00 0.00 WAT +ATOM 16765 H2 TIP3 3485 11.198 18.857 -42.601 1.00 0.00 WAT +ATOM 16766 OH2 TIP3 3486 10.238 20.711 -36.502 1.00 0.00 WAT +ATOM 16767 H1 TIP3 3486 10.163 19.757 -36.667 1.00 0.00 WAT +ATOM 16768 H2 TIP3 3486 9.862 20.798 -35.603 1.00 0.00 WAT +ATOM 16769 OH2 TIP3 3487 -4.833 22.854 -32.800 1.00 0.00 WAT +ATOM 16770 H1 TIP3 3487 -4.648 22.943 -33.752 1.00 0.00 WAT +ATOM 16771 H2 TIP3 3487 -3.935 22.827 -32.447 1.00 0.00 WAT +ATOM 16772 OH2 TIP3 3488 10.869 22.626 -27.453 1.00 0.00 WAT +ATOM 16773 H1 TIP3 3488 11.584 22.019 -27.182 1.00 0.00 WAT +ATOM 16774 H2 TIP3 3488 11.329 23.473 -27.520 1.00 0.00 WAT +ATOM 16775 OH2 TIP3 3489 12.424 20.784 -26.178 1.00 0.00 WAT +ATOM 16776 H1 TIP3 3489 11.630 20.236 -26.364 1.00 0.00 WAT +ATOM 16777 H2 TIP3 3489 13.122 20.103 -26.167 1.00 0.00 WAT +ATOM 16778 OH2 TIP3 3490 10.019 16.499 -43.333 1.00 0.00 WAT +ATOM 16779 H1 TIP3 3490 10.541 16.195 -42.581 1.00 0.00 WAT +ATOM 16780 H2 TIP3 3490 9.128 16.146 -43.157 1.00 0.00 WAT +ATOM 16781 OH2 TIP3 3491 10.040 18.249 -38.360 1.00 0.00 WAT +ATOM 16782 H1 TIP3 3491 10.305 17.304 -38.286 1.00 0.00 WAT +ATOM 16783 H2 TIP3 3491 10.855 18.626 -38.732 1.00 0.00 WAT +ATOM 16784 OH2 TIP3 3492 10.349 18.816 -32.885 1.00 0.00 WAT +ATOM 16785 H1 TIP3 3492 11.322 18.923 -32.913 1.00 0.00 WAT +ATOM 16786 H2 TIP3 3492 10.206 18.858 -31.922 1.00 0.00 WAT +ATOM 16787 OH2 TIP3 3493 10.482 19.507 -30.087 1.00 0.00 WAT +ATOM 16788 H1 TIP3 3493 9.649 19.904 -29.774 1.00 0.00 WAT +ATOM 16789 H2 TIP3 3493 11.024 20.299 -30.264 1.00 0.00 WAT +ATOM 16790 OH2 TIP3 3494 -5.009 18.276 -26.408 1.00 0.00 WAT +ATOM 16791 H1 TIP3 3494 -4.067 18.038 -26.370 1.00 0.00 WAT +ATOM 16792 H2 TIP3 3494 -5.431 17.401 -26.325 1.00 0.00 WAT +ATOM 16793 OH2 TIP3 3495 12.927 13.584 -24.830 1.00 0.00 WAT +ATOM 16794 H1 TIP3 3495 13.376 12.934 -25.399 1.00 0.00 WAT +ATOM 16795 H2 TIP3 3495 12.914 14.382 -25.389 1.00 0.00 WAT +ATOM 16796 OH2 TIP3 3496 10.554 15.521 -38.264 1.00 0.00 WAT +ATOM 16797 H1 TIP3 3496 10.716 15.121 -37.392 1.00 0.00 WAT +ATOM 16798 H2 TIP3 3496 9.803 14.984 -38.585 1.00 0.00 WAT +ATOM 16799 OH2 TIP3 3497 -4.062 16.744 -33.562 1.00 0.00 WAT +ATOM 16800 H1 TIP3 3497 -3.687 15.846 -33.503 1.00 0.00 WAT +ATOM 16801 H2 TIP3 3497 -3.399 17.259 -33.080 1.00 0.00 WAT +ATOM 16802 OH2 TIP3 3498 -5.696 19.291 -32.547 1.00 0.00 WAT +ATOM 16803 H1 TIP3 3498 -5.122 19.221 -33.324 1.00 0.00 WAT +ATOM 16804 H2 TIP3 3498 -5.350 20.085 -32.119 1.00 0.00 WAT +ATOM 16805 OH2 TIP3 3499 12.510 15.797 -26.524 1.00 0.00 WAT +ATOM 16806 H1 TIP3 3499 11.606 16.141 -26.393 1.00 0.00 WAT +ATOM 16807 H2 TIP3 3499 12.359 15.181 -27.255 1.00 0.00 WAT +ATOM 16808 OH2 TIP3 3500 12.673 16.028 -41.623 1.00 0.00 WAT +ATOM 16809 H1 TIP3 3500 12.629 15.228 -42.184 1.00 0.00 WAT +ATOM 16810 H2 TIP3 3500 13.573 16.343 -41.782 1.00 0.00 WAT +ATOM 16811 OH2 TIP3 3501 -5.227 15.735 -38.414 1.00 0.00 WAT +ATOM 16812 H1 TIP3 3501 -6.140 15.643 -38.735 1.00 0.00 WAT +ATOM 16813 H2 TIP3 3501 -4.785 16.189 -39.157 1.00 0.00 WAT +ATOM 16814 OH2 TIP3 3502 9.431 30.816 -36.403 1.00 0.00 WAT +ATOM 16815 H1 TIP3 3502 9.934 30.621 -37.209 1.00 0.00 WAT +ATOM 16816 H2 TIP3 3502 10.079 31.290 -35.868 1.00 0.00 WAT +ATOM 16817 OH2 TIP3 3503 -5.134 14.536 -30.326 1.00 0.00 WAT +ATOM 16818 H1 TIP3 3503 -5.844 14.220 -29.753 1.00 0.00 WAT +ATOM 16819 H2 TIP3 3503 -5.637 15.019 -31.007 1.00 0.00 WAT +ATOM 16820 OH2 TIP3 3504 -3.157 27.566 -25.659 1.00 0.00 WAT +ATOM 16821 H1 TIP3 3504 -3.878 27.590 -26.305 1.00 0.00 WAT +ATOM 16822 H2 TIP3 3504 -3.630 27.592 -24.818 1.00 0.00 WAT +ATOM 16823 OH2 TIP3 3505 -0.315 28.568 -30.005 1.00 0.00 WAT +ATOM 16824 H1 TIP3 3505 -0.633 29.421 -30.349 1.00 0.00 WAT +ATOM 16825 H2 TIP3 3505 0.643 28.672 -30.178 1.00 0.00 WAT +ATOM 16826 OH2 TIP3 3506 4.187 29.894 -26.975 1.00 0.00 WAT +ATOM 16827 H1 TIP3 3506 4.355 29.715 -26.036 1.00 0.00 WAT +ATOM 16828 H2 TIP3 3506 5.016 30.344 -27.241 1.00 0.00 WAT +ATOM 16829 OH2 TIP3 3507 6.479 31.338 -27.723 1.00 0.00 WAT +ATOM 16830 H1 TIP3 3507 7.176 30.707 -27.965 1.00 0.00 WAT +ATOM 16831 H2 TIP3 3507 6.795 31.655 -26.857 1.00 0.00 WAT +ATOM 16832 OH2 TIP3 3508 10.929 13.658 -28.106 1.00 0.00 WAT +ATOM 16833 H1 TIP3 3508 10.481 14.159 -28.806 1.00 0.00 WAT +ATOM 16834 H2 TIP3 3508 11.393 12.966 -28.620 1.00 0.00 WAT +ATOM 16835 OH2 TIP3 3509 -2.950 31.528 -29.659 1.00 0.00 WAT +ATOM 16836 H1 TIP3 3509 -3.534 32.167 -30.107 1.00 0.00 WAT +ATOM 16837 H2 TIP3 3509 -3.285 31.591 -28.756 1.00 0.00 WAT +ATOM 16838 OH2 TIP3 3510 -0.451 31.301 -31.121 1.00 0.00 WAT +ATOM 16839 H1 TIP3 3510 -1.297 31.510 -30.678 1.00 0.00 WAT +ATOM 16840 H2 TIP3 3510 -0.396 32.006 -31.794 1.00 0.00 WAT +ATOM 16841 OH2 TIP3 3511 4.292 31.311 -31.551 1.00 0.00 WAT +ATOM 16842 H1 TIP3 3511 3.938 31.760 -32.340 1.00 0.00 WAT +ATOM 16843 H2 TIP3 3511 4.391 32.062 -30.937 1.00 0.00 WAT +ATOM 16844 OH2 TIP3 3512 6.627 30.029 -30.625 1.00 0.00 WAT +ATOM 16845 H1 TIP3 3512 5.785 30.390 -30.964 1.00 0.00 WAT +ATOM 16846 H2 TIP3 3512 7.197 30.811 -30.665 1.00 0.00 WAT +ATOM 16847 OH2 TIP3 3513 9.168 31.757 -30.448 1.00 0.00 WAT +ATOM 16848 H1 TIP3 3513 9.119 32.710 -30.659 1.00 0.00 WAT +ATOM 16849 H2 TIP3 3513 9.446 31.402 -31.309 1.00 0.00 WAT +ATOM 16850 OH2 TIP3 3514 -3.360 30.333 -32.727 1.00 0.00 WAT +ATOM 16851 H1 TIP3 3514 -3.387 29.855 -31.869 1.00 0.00 WAT +ATOM 16852 H2 TIP3 3514 -2.585 29.908 -33.143 1.00 0.00 WAT +ATOM 16853 OH2 TIP3 3515 -1.337 29.080 -34.294 1.00 0.00 WAT +ATOM 16854 H1 TIP3 3515 -1.482 28.160 -33.992 1.00 0.00 WAT +ATOM 16855 H2 TIP3 3515 -0.430 29.254 -33.972 1.00 0.00 WAT +ATOM 16856 OH2 TIP3 3516 1.396 29.543 -33.394 1.00 0.00 WAT +ATOM 16857 H1 TIP3 3516 1.606 28.616 -33.599 1.00 0.00 WAT +ATOM 16858 H2 TIP3 3516 1.480 29.537 -32.428 1.00 0.00 WAT +ATOM 16859 OH2 TIP3 3517 4.721 15.457 -34.082 1.00 0.00 WAT +ATOM 16860 H1 TIP3 3517 4.047 14.760 -33.960 1.00 0.00 WAT +ATOM 16861 H2 TIP3 3517 5.348 15.019 -34.680 1.00 0.00 WAT +ATOM 16862 OH2 TIP3 3518 9.690 13.493 -33.617 1.00 0.00 WAT +ATOM 16863 H1 TIP3 3518 10.457 13.902 -34.053 1.00 0.00 WAT +ATOM 16864 H2 TIP3 3518 8.951 13.751 -34.194 1.00 0.00 WAT +ATOM 16865 OH2 TIP3 3519 11.762 14.575 -35.756 1.00 0.00 WAT +ATOM 16866 H1 TIP3 3519 12.473 14.132 -36.256 1.00 0.00 WAT +ATOM 16867 H2 TIP3 3519 12.104 15.489 -35.689 1.00 0.00 WAT +ATOM 16868 OH2 TIP3 3520 -2.901 14.162 -36.515 1.00 0.00 WAT +ATOM 16869 H1 TIP3 3520 -3.757 14.047 -36.973 1.00 0.00 WAT +ATOM 16870 H2 TIP3 3520 -2.478 13.302 -36.695 1.00 0.00 WAT +ATOM 16871 OH2 TIP3 3521 -4.025 13.667 -40.787 1.00 0.00 WAT +ATOM 16872 H1 TIP3 3521 -3.485 14.325 -41.288 1.00 0.00 WAT +ATOM 16873 H2 TIP3 3521 -4.507 14.258 -40.192 1.00 0.00 WAT +ATOM 16874 OH2 TIP3 3522 1.572 13.990 -36.655 1.00 0.00 WAT +ATOM 16875 H1 TIP3 3522 2.487 14.282 -36.792 1.00 0.00 WAT +ATOM 16876 H2 TIP3 3522 1.551 13.877 -35.697 1.00 0.00 WAT +ATOM 16877 OH2 TIP3 3523 7.177 14.028 -35.224 1.00 0.00 WAT +ATOM 16878 H1 TIP3 3523 7.415 13.893 -36.152 1.00 0.00 WAT +ATOM 16879 H2 TIP3 3523 6.776 13.168 -34.993 1.00 0.00 WAT +ATOM 16880 OH2 TIP3 3524 8.230 14.096 -39.154 1.00 0.00 WAT +ATOM 16881 H1 TIP3 3524 7.432 14.563 -39.457 1.00 0.00 WAT +ATOM 16882 H2 TIP3 3524 7.927 13.172 -39.217 1.00 0.00 WAT +ATOM 16883 OH2 TIP3 3525 -4.040 29.604 -39.698 1.00 0.00 WAT +ATOM 16884 H1 TIP3 3525 -4.787 29.632 -40.320 1.00 0.00 WAT +ATOM 16885 H2 TIP3 3525 -4.022 30.518 -39.393 1.00 0.00 WAT +ATOM 16886 OH2 TIP3 3526 -2.420 15.418 -42.176 1.00 0.00 WAT +ATOM 16887 H1 TIP3 3526 -1.944 14.923 -42.855 1.00 0.00 WAT +ATOM 16888 H2 TIP3 3526 -1.692 15.871 -41.717 1.00 0.00 WAT +ATOM 16889 OH2 TIP3 3527 2.689 15.625 -39.587 1.00 0.00 WAT +ATOM 16890 H1 TIP3 3527 3.075 15.078 -38.887 1.00 0.00 WAT +ATOM 16891 H2 TIP3 3527 2.937 16.506 -39.268 1.00 0.00 WAT +ATOM 16892 OH2 TIP3 3528 4.738 31.231 -41.444 1.00 0.00 WAT +ATOM 16893 H1 TIP3 3528 5.709 31.376 -41.493 1.00 0.00 WAT +ATOM 16894 H2 TIP3 3528 4.630 30.636 -42.209 1.00 0.00 WAT +ATOM 16895 OH2 TIP3 3529 11.379 30.439 -38.848 1.00 0.00 WAT +ATOM 16896 H1 TIP3 3529 11.057 29.615 -39.268 1.00 0.00 WAT +ATOM 16897 H2 TIP3 3529 11.134 31.112 -39.516 1.00 0.00 WAT +ATOM 16898 OH2 TIP3 3530 -3.115 14.397 -26.993 1.00 0.00 WAT +ATOM 16899 H1 TIP3 3530 -3.504 13.573 -26.649 1.00 0.00 WAT +ATOM 16900 H2 TIP3 3530 -2.182 14.265 -26.753 1.00 0.00 WAT +ATOM 16901 OH2 TIP3 3531 -0.727 13.757 -25.289 1.00 0.00 WAT +ATOM 16902 H1 TIP3 3531 0.097 13.403 -25.684 1.00 0.00 WAT +ATOM 16903 H2 TIP3 3531 -1.068 12.963 -24.847 1.00 0.00 WAT +ATOM 16904 OH2 TIP3 3532 -2.112 30.617 -42.329 1.00 0.00 WAT +ATOM 16905 H1 TIP3 3532 -2.436 30.968 -41.490 1.00 0.00 WAT +ATOM 16906 H2 TIP3 3532 -1.328 30.121 -42.072 1.00 0.00 WAT +ATOM 16907 OH2 TIP3 3533 10.772 29.236 -26.409 1.00 0.00 WAT +ATOM 16908 H1 TIP3 3533 10.039 29.023 -27.014 1.00 0.00 WAT +ATOM 16909 H2 TIP3 3533 10.582 30.171 -26.213 1.00 0.00 WAT +ATOM 16910 OH2 TIP3 3534 24.987 22.899 -36.276 1.00 0.00 WAT +ATOM 16911 H1 TIP3 3534 24.978 23.863 -36.158 1.00 0.00 WAT +ATOM 16912 H2 TIP3 3534 24.205 22.765 -36.826 1.00 0.00 WAT +ATOM 16913 OH2 TIP3 3535 23.805 22.346 -33.205 1.00 0.00 WAT +ATOM 16914 H1 TIP3 3535 23.809 21.795 -32.406 1.00 0.00 WAT +ATOM 16915 H2 TIP3 3535 23.546 21.703 -33.882 1.00 0.00 WAT +ATOM 16916 OH2 TIP3 3536 16.305 21.928 -31.536 1.00 0.00 WAT +ATOM 16917 H1 TIP3 3536 16.275 21.181 -30.910 1.00 0.00 WAT +ATOM 16918 H2 TIP3 3536 16.992 22.478 -31.133 1.00 0.00 WAT +ATOM 16919 OH2 TIP3 3537 27.489 25.079 -34.883 1.00 0.00 WAT +ATOM 16920 H1 TIP3 3537 27.124 24.373 -34.334 1.00 0.00 WAT +ATOM 16921 H2 TIP3 3537 27.794 25.702 -34.209 1.00 0.00 WAT +ATOM 16922 OH2 TIP3 3538 16.953 26.578 -33.043 1.00 0.00 WAT +ATOM 16923 H1 TIP3 3538 16.710 25.658 -33.283 1.00 0.00 WAT +ATOM 16924 H2 TIP3 3538 17.880 26.444 -32.793 1.00 0.00 WAT +ATOM 16925 OH2 TIP3 3539 13.952 19.984 -37.622 1.00 0.00 WAT +ATOM 16926 H1 TIP3 3539 13.521 20.848 -37.529 1.00 0.00 WAT +ATOM 16927 H2 TIP3 3539 13.266 19.474 -38.075 1.00 0.00 WAT +ATOM 16928 OH2 TIP3 3540 14.752 22.431 -35.775 1.00 0.00 WAT +ATOM 16929 H1 TIP3 3540 14.884 21.591 -35.292 1.00 0.00 WAT +ATOM 16930 H2 TIP3 3540 15.599 22.529 -36.227 1.00 0.00 WAT +ATOM 16931 OH2 TIP3 3541 24.554 30.443 -34.319 1.00 0.00 WAT +ATOM 16932 H1 TIP3 3541 25.134 29.728 -34.642 1.00 0.00 WAT +ATOM 16933 H2 TIP3 3541 24.285 30.106 -33.455 1.00 0.00 WAT +ATOM 16934 OH2 TIP3 3542 22.306 24.852 -32.645 1.00 0.00 WAT +ATOM 16935 H1 TIP3 3542 22.640 24.121 -33.197 1.00 0.00 WAT +ATOM 16936 H2 TIP3 3542 23.112 25.014 -32.117 1.00 0.00 WAT +ATOM 16937 OH2 TIP3 3543 30.976 16.371 -31.995 1.00 0.00 WAT +ATOM 16938 H1 TIP3 3543 31.221 16.986 -31.284 1.00 0.00 WAT +ATOM 16939 H2 TIP3 3543 31.583 16.660 -32.701 1.00 0.00 WAT +ATOM 16940 OH2 TIP3 3544 25.611 19.185 -32.125 1.00 0.00 WAT +ATOM 16941 H1 TIP3 3544 25.741 18.224 -32.067 1.00 0.00 WAT +ATOM 16942 H2 TIP3 3544 25.516 19.306 -33.083 1.00 0.00 WAT +ATOM 16943 OH2 TIP3 3545 18.569 17.195 -35.045 1.00 0.00 WAT +ATOM 16944 H1 TIP3 3545 18.709 18.049 -35.497 1.00 0.00 WAT +ATOM 16945 H2 TIP3 3545 18.225 16.666 -35.790 1.00 0.00 WAT +ATOM 16946 OH2 TIP3 3546 26.407 17.356 -36.731 1.00 0.00 WAT +ATOM 16947 H1 TIP3 3546 26.992 16.920 -36.076 1.00 0.00 WAT +ATOM 16948 H2 TIP3 3546 27.059 17.792 -37.299 1.00 0.00 WAT +ATOM 16949 OH2 TIP3 3547 15.272 19.938 -34.540 1.00 0.00 WAT +ATOM 16950 H1 TIP3 3547 15.891 19.456 -33.967 1.00 0.00 WAT +ATOM 16951 H2 TIP3 3547 15.344 19.437 -35.371 1.00 0.00 WAT +ATOM 16952 OH2 TIP3 3548 20.652 21.324 -35.094 1.00 0.00 WAT +ATOM 16953 H1 TIP3 3548 21.355 20.774 -34.695 1.00 0.00 WAT +ATOM 16954 H2 TIP3 3548 20.138 20.650 -35.577 1.00 0.00 WAT +ATOM 16955 OH2 TIP3 3549 31.709 17.754 -29.507 1.00 0.00 WAT +ATOM 16956 H1 TIP3 3549 31.111 18.464 -29.801 1.00 0.00 WAT +ATOM 16957 H2 TIP3 3549 31.476 17.702 -28.570 1.00 0.00 WAT +ATOM 16958 OH2 TIP3 3550 17.373 15.982 -30.889 1.00 0.00 WAT +ATOM 16959 H1 TIP3 3550 16.968 16.494 -31.606 1.00 0.00 WAT +ATOM 16960 H2 TIP3 3550 16.721 16.127 -30.173 1.00 0.00 WAT +ATOM 16961 OH2 TIP3 3551 24.855 25.739 -37.493 1.00 0.00 WAT +ATOM 16962 H1 TIP3 3551 24.551 25.539 -38.381 1.00 0.00 WAT +ATOM 16963 H2 TIP3 3551 24.426 26.593 -37.306 1.00 0.00 WAT +ATOM 16964 OH2 TIP3 3552 20.309 23.870 -30.763 1.00 0.00 WAT +ATOM 16965 H1 TIP3 3552 19.571 24.463 -30.504 1.00 0.00 WAT +ATOM 16966 H2 TIP3 3552 20.928 24.487 -31.192 1.00 0.00 WAT +ATOM 16967 OH2 TIP3 3553 28.262 16.610 -34.702 1.00 0.00 WAT +ATOM 16968 H1 TIP3 3553 27.858 16.012 -34.060 1.00 0.00 WAT +ATOM 16969 H2 TIP3 3553 28.771 17.207 -34.127 1.00 0.00 WAT +ATOM 16970 OH2 TIP3 3554 16.974 18.033 -32.943 1.00 0.00 WAT +ATOM 16971 H1 TIP3 3554 17.619 18.606 -32.478 1.00 0.00 WAT +ATOM 16972 H2 TIP3 3554 17.549 17.664 -33.650 1.00 0.00 WAT +ATOM 16973 OH2 TIP3 3555 18.292 25.739 -30.050 1.00 0.00 WAT +ATOM 16974 H1 TIP3 3555 18.261 26.671 -30.335 1.00 0.00 WAT +ATOM 16975 H2 TIP3 3555 17.428 25.673 -29.598 1.00 0.00 WAT +ATOM 16976 OH2 TIP3 3556 14.629 25.433 -39.185 1.00 0.00 WAT +ATOM 16977 H1 TIP3 3556 14.412 25.865 -40.035 1.00 0.00 WAT +ATOM 16978 H2 TIP3 3556 14.770 26.184 -38.573 1.00 0.00 WAT +ATOM 16979 OH2 TIP3 3557 28.057 26.896 -32.387 1.00 0.00 WAT +ATOM 16980 H1 TIP3 3557 27.090 27.030 -32.368 1.00 0.00 WAT +ATOM 16981 H2 TIP3 3557 28.352 27.748 -32.752 1.00 0.00 WAT +ATOM 16982 OH2 TIP3 3558 28.387 15.788 -30.842 1.00 0.00 WAT +ATOM 16983 H1 TIP3 3558 27.613 16.153 -31.311 1.00 0.00 WAT +ATOM 16984 H2 TIP3 3558 29.108 15.949 -31.480 1.00 0.00 WAT +ATOM 16985 OH2 TIP3 3559 21.521 13.478 -33.799 1.00 0.00 WAT +ATOM 16986 H1 TIP3 3559 21.295 12.530 -33.854 1.00 0.00 WAT +ATOM 16987 H2 TIP3 3559 20.695 13.856 -33.428 1.00 0.00 WAT +ATOM 16988 OH2 TIP3 3560 26.347 28.834 -35.837 1.00 0.00 WAT +ATOM 16989 H1 TIP3 3560 26.834 28.043 -36.144 1.00 0.00 WAT +ATOM 16990 H2 TIP3 3560 27.044 29.516 -35.901 1.00 0.00 WAT +ATOM 16991 OH2 TIP3 3561 27.798 26.708 -37.196 1.00 0.00 WAT +ATOM 16992 H1 TIP3 3561 27.315 26.228 -37.882 1.00 0.00 WAT +ATOM 16993 H2 TIP3 3561 27.764 26.067 -36.459 1.00 0.00 WAT +ATOM 16994 OH2 TIP3 3562 29.357 25.516 -28.703 1.00 0.00 WAT +ATOM 16995 H1 TIP3 3562 29.252 24.879 -29.433 1.00 0.00 WAT +ATOM 16996 H2 TIP3 3562 29.471 26.357 -29.188 1.00 0.00 WAT +ATOM 16997 OH2 TIP3 3563 23.610 22.373 -39.066 1.00 0.00 WAT +ATOM 16998 H1 TIP3 3563 22.998 23.069 -39.370 1.00 0.00 WAT +ATOM 16999 H2 TIP3 3563 24.341 22.439 -39.707 1.00 0.00 WAT +ATOM 17000 OH2 TIP3 3564 31.112 21.692 -30.762 1.00 0.00 WAT +ATOM 17001 H1 TIP3 3564 30.391 22.348 -30.687 1.00 0.00 WAT +ATOM 17002 H2 TIP3 3564 31.594 22.038 -31.540 1.00 0.00 WAT +ATOM 17003 OH2 TIP3 3565 27.079 22.358 -38.013 1.00 0.00 WAT +ATOM 17004 H1 TIP3 3565 26.418 22.584 -37.320 1.00 0.00 WAT +ATOM 17005 H2 TIP3 3565 27.714 21.835 -37.490 1.00 0.00 WAT +ATOM 17006 OH2 TIP3 3566 26.961 20.963 -29.086 1.00 0.00 WAT +ATOM 17007 H1 TIP3 3566 27.023 21.795 -28.588 1.00 0.00 WAT +ATOM 17008 H2 TIP3 3566 26.318 21.244 -29.762 1.00 0.00 WAT +ATOM 17009 OH2 TIP3 3567 18.719 23.177 -36.174 1.00 0.00 WAT +ATOM 17010 H1 TIP3 3567 18.453 22.730 -36.998 1.00 0.00 WAT +ATOM 17011 H2 TIP3 3567 19.370 22.551 -35.808 1.00 0.00 WAT +ATOM 17012 OH2 TIP3 3568 20.096 26.610 -33.427 1.00 0.00 WAT +ATOM 17013 H1 TIP3 3568 19.983 26.191 -34.290 1.00 0.00 WAT +ATOM 17014 H2 TIP3 3568 20.882 26.143 -33.084 1.00 0.00 WAT +ATOM 17015 OH2 TIP3 3569 19.315 22.009 -32.676 1.00 0.00 WAT +ATOM 17016 H1 TIP3 3569 19.904 22.043 -33.453 1.00 0.00 WAT +ATOM 17017 H2 TIP3 3569 19.705 22.674 -32.079 1.00 0.00 WAT +ATOM 17018 OH2 TIP3 3570 25.252 27.520 -32.093 1.00 0.00 WAT +ATOM 17019 H1 TIP3 3570 25.276 28.192 -31.390 1.00 0.00 WAT +ATOM 17020 H2 TIP3 3570 25.033 26.701 -31.615 1.00 0.00 WAT +ATOM 17021 OH2 TIP3 3571 20.150 26.319 -27.835 1.00 0.00 WAT +ATOM 17022 H1 TIP3 3571 19.643 26.986 -27.338 1.00 0.00 WAT +ATOM 17023 H2 TIP3 3571 19.504 26.060 -28.519 1.00 0.00 WAT +ATOM 17024 OH2 TIP3 3572 26.008 21.966 -40.665 1.00 0.00 WAT +ATOM 17025 H1 TIP3 3572 26.466 22.099 -39.814 1.00 0.00 WAT +ATOM 17026 H2 TIP3 3572 26.676 22.283 -41.300 1.00 0.00 WAT +ATOM 17027 OH2 TIP3 3573 17.079 22.732 -28.725 1.00 0.00 WAT +ATOM 17028 H1 TIP3 3573 17.131 23.296 -27.932 1.00 0.00 WAT +ATOM 17029 H2 TIP3 3573 16.120 22.578 -28.786 1.00 0.00 WAT +ATOM 17030 OH2 TIP3 3574 23.515 28.468 -36.958 1.00 0.00 WAT +ATOM 17031 H1 TIP3 3574 24.044 28.721 -36.189 1.00 0.00 WAT +ATOM 17032 H2 TIP3 3574 23.061 29.293 -37.186 1.00 0.00 WAT +ATOM 17033 OH2 TIP3 3575 18.250 28.510 -27.015 1.00 0.00 WAT +ATOM 17034 H1 TIP3 3575 18.132 28.537 -27.980 1.00 0.00 WAT +ATOM 17035 H2 TIP3 3575 17.371 28.234 -26.690 1.00 0.00 WAT +ATOM 17036 OH2 TIP3 3576 29.651 13.531 -40.732 1.00 0.00 WAT +ATOM 17037 H1 TIP3 3576 28.685 13.586 -40.607 1.00 0.00 WAT +ATOM 17038 H2 TIP3 3576 29.860 14.433 -41.013 1.00 0.00 WAT +ATOM 17039 OH2 TIP3 3577 17.779 21.924 -38.752 1.00 0.00 WAT +ATOM 17040 H1 TIP3 3577 17.435 22.711 -39.213 1.00 0.00 WAT +ATOM 17041 H2 TIP3 3577 17.050 21.297 -38.855 1.00 0.00 WAT +ATOM 17042 OH2 TIP3 3578 30.702 27.872 -42.538 1.00 0.00 WAT +ATOM 17043 H1 TIP3 3578 30.988 28.667 -42.058 1.00 0.00 WAT +ATOM 17044 H2 TIP3 3578 31.439 27.252 -42.398 1.00 0.00 WAT +ATOM 17045 OH2 TIP3 3579 13.702 24.607 -29.896 1.00 0.00 WAT +ATOM 17046 H1 TIP3 3579 13.257 24.596 -30.767 1.00 0.00 WAT +ATOM 17047 H2 TIP3 3579 13.842 23.657 -29.726 1.00 0.00 WAT +ATOM 17048 OH2 TIP3 3580 13.761 27.538 -32.971 1.00 0.00 WAT +ATOM 17049 H1 TIP3 3580 14.684 27.249 -32.910 1.00 0.00 WAT +ATOM 17050 H2 TIP3 3580 13.700 28.142 -32.218 1.00 0.00 WAT +ATOM 17051 OH2 TIP3 3581 32.148 28.153 -27.179 1.00 0.00 WAT +ATOM 17052 H1 TIP3 3581 32.041 27.208 -27.387 1.00 0.00 WAT +ATOM 17053 H2 TIP3 3581 31.233 28.388 -26.910 1.00 0.00 WAT +ATOM 17054 OH2 TIP3 3582 22.789 27.375 -28.399 1.00 0.00 WAT +ATOM 17055 H1 TIP3 3582 22.869 28.196 -27.871 1.00 0.00 WAT +ATOM 17056 H2 TIP3 3582 21.889 27.076 -28.162 1.00 0.00 WAT +ATOM 17057 OH2 TIP3 3583 23.095 31.169 -38.476 1.00 0.00 WAT +ATOM 17058 H1 TIP3 3583 23.105 31.298 -39.440 1.00 0.00 WAT +ATOM 17059 H2 TIP3 3583 23.135 32.078 -38.137 1.00 0.00 WAT +ATOM 17060 OH2 TIP3 3584 16.884 30.299 -36.814 1.00 0.00 WAT +ATOM 17061 H1 TIP3 3584 17.051 29.873 -35.947 1.00 0.00 WAT +ATOM 17062 H2 TIP3 3584 16.013 29.936 -37.026 1.00 0.00 WAT +ATOM 17063 OH2 TIP3 3585 26.326 30.775 -41.399 1.00 0.00 WAT +ATOM 17064 H1 TIP3 3585 26.791 30.201 -42.042 1.00 0.00 WAT +ATOM 17065 H2 TIP3 3585 26.390 30.250 -40.585 1.00 0.00 WAT +ATOM 17066 OH2 TIP3 3586 25.816 30.059 -38.626 1.00 0.00 WAT +ATOM 17067 H1 TIP3 3586 24.889 30.225 -38.387 1.00 0.00 WAT +ATOM 17068 H2 TIP3 3586 26.062 29.395 -37.962 1.00 0.00 WAT +ATOM 17069 OH2 TIP3 3587 28.915 19.504 -26.774 1.00 0.00 WAT +ATOM 17070 H1 TIP3 3587 28.423 19.910 -27.502 1.00 0.00 WAT +ATOM 17071 H2 TIP3 3587 28.980 18.578 -27.079 1.00 0.00 WAT +ATOM 17072 OH2 TIP3 3588 15.896 26.158 -28.654 1.00 0.00 WAT +ATOM 17073 H1 TIP3 3588 16.168 25.691 -27.837 1.00 0.00 WAT +ATOM 17074 H2 TIP3 3588 15.161 25.611 -28.983 1.00 0.00 WAT +ATOM 17075 OH2 TIP3 3589 19.095 14.629 -32.885 1.00 0.00 WAT +ATOM 17076 H1 TIP3 3589 18.278 14.565 -33.410 1.00 0.00 WAT +ATOM 17077 H2 TIP3 3589 18.857 15.357 -32.291 1.00 0.00 WAT +ATOM 17078 OH2 TIP3 3590 23.461 14.218 -29.231 1.00 0.00 WAT +ATOM 17079 H1 TIP3 3590 23.989 13.674 -28.613 1.00 0.00 WAT +ATOM 17080 H2 TIP3 3590 22.559 13.863 -29.118 1.00 0.00 WAT +ATOM 17081 OH2 TIP3 3591 26.633 18.007 -28.709 1.00 0.00 WAT +ATOM 17082 H1 TIP3 3591 26.004 17.845 -27.982 1.00 0.00 WAT +ATOM 17083 H2 TIP3 3591 26.546 18.962 -28.875 1.00 0.00 WAT +ATOM 17084 OH2 TIP3 3592 28.338 22.700 -42.509 1.00 0.00 WAT +ATOM 17085 H1 TIP3 3592 28.032 22.519 -43.407 1.00 0.00 WAT +ATOM 17086 H2 TIP3 3592 28.753 23.563 -42.637 1.00 0.00 WAT +ATOM 17087 OH2 TIP3 3593 23.265 16.596 -42.194 1.00 0.00 WAT +ATOM 17088 H1 TIP3 3593 22.780 16.528 -41.358 1.00 0.00 WAT +ATOM 17089 H2 TIP3 3593 22.839 15.892 -42.701 1.00 0.00 WAT +ATOM 17090 OH2 TIP3 3594 18.946 19.414 -31.487 1.00 0.00 WAT +ATOM 17091 H1 TIP3 3594 18.386 19.532 -30.703 1.00 0.00 WAT +ATOM 17092 H2 TIP3 3594 19.016 20.329 -31.835 1.00 0.00 WAT +ATOM 17093 OH2 TIP3 3595 18.867 19.516 -36.608 1.00 0.00 WAT +ATOM 17094 H1 TIP3 3595 17.914 19.361 -36.756 1.00 0.00 WAT +ATOM 17095 H2 TIP3 3595 19.222 19.277 -37.485 1.00 0.00 WAT +ATOM 17096 OH2 TIP3 3596 24.567 20.027 -37.850 1.00 0.00 WAT +ATOM 17097 H1 TIP3 3596 24.163 20.851 -38.194 1.00 0.00 WAT +ATOM 17098 H2 TIP3 3596 25.218 19.828 -38.547 1.00 0.00 WAT +ATOM 17099 OH2 TIP3 3597 23.686 20.269 -26.447 1.00 0.00 WAT +ATOM 17100 H1 TIP3 3597 23.177 19.502 -26.111 1.00 0.00 WAT +ATOM 17101 H2 TIP3 3597 24.566 20.111 -26.064 1.00 0.00 WAT +ATOM 17102 OH2 TIP3 3598 25.356 19.442 -35.049 1.00 0.00 WAT +ATOM 17103 H1 TIP3 3598 25.084 20.015 -35.793 1.00 0.00 WAT +ATOM 17104 H2 TIP3 3598 25.573 18.630 -35.553 1.00 0.00 WAT +ATOM 17105 OH2 TIP3 3599 16.283 19.583 -29.641 1.00 0.00 WAT +ATOM 17106 H1 TIP3 3599 16.576 19.888 -28.773 1.00 0.00 WAT +ATOM 17107 H2 TIP3 3599 15.952 18.691 -29.433 1.00 0.00 WAT +ATOM 17108 OH2 TIP3 3600 20.079 17.352 -42.982 1.00 0.00 WAT +ATOM 17109 H1 TIP3 3600 19.752 16.752 -42.285 1.00 0.00 WAT +ATOM 17110 H2 TIP3 3600 19.258 17.517 -43.484 1.00 0.00 WAT +ATOM 17111 OH2 TIP3 3601 13.148 17.071 -36.000 1.00 0.00 WAT +ATOM 17112 H1 TIP3 3601 13.772 17.001 -35.255 1.00 0.00 WAT +ATOM 17113 H2 TIP3 3601 13.621 16.661 -36.743 1.00 0.00 WAT +ATOM 17114 OH2 TIP3 3602 14.799 17.529 -40.320 1.00 0.00 WAT +ATOM 17115 H1 TIP3 3602 15.284 17.995 -41.027 1.00 0.00 WAT +ATOM 17116 H2 TIP3 3602 14.036 18.116 -40.183 1.00 0.00 WAT +ATOM 17117 OH2 TIP3 3603 24.460 21.130 -30.587 1.00 0.00 WAT +ATOM 17118 H1 TIP3 3603 24.896 20.406 -31.093 1.00 0.00 WAT +ATOM 17119 H2 TIP3 3603 24.119 20.648 -29.821 1.00 0.00 WAT +ATOM 17120 OH2 TIP3 3604 21.667 17.092 -35.575 1.00 0.00 WAT +ATOM 17121 H1 TIP3 3604 20.724 17.020 -35.349 1.00 0.00 WAT +ATOM 17122 H2 TIP3 3604 22.087 16.884 -34.723 1.00 0.00 WAT +ATOM 17123 OH2 TIP3 3605 16.257 18.319 -36.923 1.00 0.00 WAT +ATOM 17124 H1 TIP3 3605 15.414 18.560 -37.348 1.00 0.00 WAT +ATOM 17125 H2 TIP3 3605 16.517 17.509 -37.400 1.00 0.00 WAT +ATOM 17126 OH2 TIP3 3606 19.820 18.667 -39.265 1.00 0.00 WAT +ATOM 17127 H1 TIP3 3606 20.782 18.721 -39.118 1.00 0.00 WAT +ATOM 17128 H2 TIP3 3606 19.627 19.386 -39.883 1.00 0.00 WAT +ATOM 17129 OH2 TIP3 3607 26.054 16.222 -32.550 1.00 0.00 WAT +ATOM 17130 H1 TIP3 3607 25.408 16.226 -31.811 1.00 0.00 WAT +ATOM 17131 H2 TIP3 3607 25.483 15.884 -33.263 1.00 0.00 WAT +ATOM 17132 OH2 TIP3 3608 18.598 19.953 -41.803 1.00 0.00 WAT +ATOM 17133 H1 TIP3 3608 17.804 19.449 -42.059 1.00 0.00 WAT +ATOM 17134 H2 TIP3 3608 19.272 19.490 -42.308 1.00 0.00 WAT +ATOM 17135 OH2 TIP3 3609 29.053 32.008 -25.886 1.00 0.00 WAT +ATOM 17136 H1 TIP3 3609 29.282 32.451 -26.721 1.00 0.00 WAT +ATOM 17137 H2 TIP3 3609 29.768 32.305 -25.299 1.00 0.00 WAT +ATOM 17138 OH2 TIP3 3610 16.957 24.630 -26.463 1.00 0.00 WAT +ATOM 17139 H1 TIP3 3610 17.632 24.705 -25.755 1.00 0.00 WAT +ATOM 17140 H2 TIP3 3610 16.151 24.592 -25.912 1.00 0.00 WAT +ATOM 17141 OH2 TIP3 3611 22.681 19.631 -33.746 1.00 0.00 WAT +ATOM 17142 H1 TIP3 3611 23.414 19.196 -34.207 1.00 0.00 WAT +ATOM 17143 H2 TIP3 3611 22.516 19.016 -33.003 1.00 0.00 WAT +ATOM 17144 OH2 TIP3 3612 18.009 16.041 -37.616 1.00 0.00 WAT +ATOM 17145 H1 TIP3 3612 17.433 15.270 -37.480 1.00 0.00 WAT +ATOM 17146 H2 TIP3 3612 18.824 15.632 -37.941 1.00 0.00 WAT +ATOM 17147 OH2 TIP3 3613 21.655 18.089 -31.508 1.00 0.00 WAT +ATOM 17148 H1 TIP3 3613 20.875 18.668 -31.486 1.00 0.00 WAT +ATOM 17149 H2 TIP3 3613 22.138 18.336 -30.694 1.00 0.00 WAT +ATOM 17150 OH2 TIP3 3614 21.803 24.464 -39.604 1.00 0.00 WAT +ATOM 17151 H1 TIP3 3614 21.063 23.914 -39.926 1.00 0.00 WAT +ATOM 17152 H2 TIP3 3614 21.605 24.534 -38.638 1.00 0.00 WAT +ATOM 17153 OH2 TIP3 3615 29.018 23.632 -30.869 1.00 0.00 WAT +ATOM 17154 H1 TIP3 3615 29.517 24.180 -31.514 1.00 0.00 WAT +ATOM 17155 H2 TIP3 3615 28.163 23.527 -31.331 1.00 0.00 WAT +ATOM 17156 OH2 TIP3 3616 26.014 17.213 -41.784 1.00 0.00 WAT +ATOM 17157 H1 TIP3 3616 25.046 17.191 -41.907 1.00 0.00 WAT +ATOM 17158 H2 TIP3 3616 26.174 18.020 -41.263 1.00 0.00 WAT +ATOM 17159 OH2 TIP3 3617 23.430 24.482 -28.280 1.00 0.00 WAT +ATOM 17160 H1 TIP3 3617 23.125 24.168 -27.417 1.00 0.00 WAT +ATOM 17161 H2 TIP3 3617 23.131 25.404 -28.284 1.00 0.00 WAT +ATOM 17162 OH2 TIP3 3618 26.551 19.095 -39.832 1.00 0.00 WAT +ATOM 17163 H1 TIP3 3618 27.437 18.930 -39.453 1.00 0.00 WAT +ATOM 17164 H2 TIP3 3618 26.683 19.908 -40.346 1.00 0.00 WAT +ATOM 17165 OH2 TIP3 3619 16.933 23.863 -33.778 1.00 0.00 WAT +ATOM 17166 H1 TIP3 3619 17.494 23.747 -34.563 1.00 0.00 WAT +ATOM 17167 H2 TIP3 3619 17.030 23.005 -33.333 1.00 0.00 WAT +ATOM 17168 OH2 TIP3 3620 24.225 25.821 -40.699 1.00 0.00 WAT +ATOM 17169 H1 TIP3 3620 23.953 26.705 -40.378 1.00 0.00 WAT +ATOM 17170 H2 TIP3 3620 23.463 25.288 -40.407 1.00 0.00 WAT +ATOM 17171 OH2 TIP3 3621 14.205 22.133 -28.529 1.00 0.00 WAT +ATOM 17172 H1 TIP3 3621 14.345 21.707 -27.660 1.00 0.00 WAT +ATOM 17173 H2 TIP3 3621 13.561 21.544 -28.955 1.00 0.00 WAT +ATOM 17174 OH2 TIP3 3622 21.164 21.651 -26.538 1.00 0.00 WAT +ATOM 17175 H1 TIP3 3622 20.816 21.394 -27.410 1.00 0.00 WAT +ATOM 17176 H2 TIP3 3622 22.093 21.370 -26.626 1.00 0.00 WAT +ATOM 17177 OH2 TIP3 3623 25.692 27.062 -28.811 1.00 0.00 WAT +ATOM 17178 H1 TIP3 3623 24.727 27.158 -28.869 1.00 0.00 WAT +ATOM 17179 H2 TIP3 3623 25.863 27.324 -27.891 1.00 0.00 WAT +ATOM 17180 OH2 TIP3 3624 31.282 19.194 -39.991 1.00 0.00 WAT +ATOM 17181 H1 TIP3 3624 30.650 19.004 -40.714 1.00 0.00 WAT +ATOM 17182 H2 TIP3 3624 31.395 20.146 -40.166 1.00 0.00 WAT +ATOM 17183 OH2 TIP3 3625 31.682 25.156 -27.235 1.00 0.00 WAT +ATOM 17184 H1 TIP3 3625 30.747 25.380 -27.428 1.00 0.00 WAT +ATOM 17185 H2 TIP3 3625 32.016 24.985 -28.138 1.00 0.00 WAT +ATOM 17186 OH2 TIP3 3626 29.407 27.661 -39.999 1.00 0.00 WAT +ATOM 17187 H1 TIP3 3626 29.239 26.915 -39.406 1.00 0.00 WAT +ATOM 17188 H2 TIP3 3626 29.884 27.250 -40.732 1.00 0.00 WAT +ATOM 17189 OH2 TIP3 3627 26.675 23.067 -32.562 1.00 0.00 WAT +ATOM 17190 H1 TIP3 3627 25.742 22.914 -32.804 1.00 0.00 WAT +ATOM 17191 H2 TIP3 3627 27.112 22.347 -33.058 1.00 0.00 WAT +ATOM 17192 OH2 TIP3 3628 19.309 27.137 -36.565 1.00 0.00 WAT +ATOM 17193 H1 TIP3 3628 19.725 28.010 -36.643 1.00 0.00 WAT +ATOM 17194 H2 TIP3 3628 18.382 27.346 -36.735 1.00 0.00 WAT +ATOM 17195 OH2 TIP3 3629 15.400 22.069 -41.998 1.00 0.00 WAT +ATOM 17196 H1 TIP3 3629 15.916 22.736 -41.509 1.00 0.00 WAT +ATOM 17197 H2 TIP3 3629 14.487 22.252 -41.696 1.00 0.00 WAT +ATOM 17198 OH2 TIP3 3630 21.123 24.838 -36.944 1.00 0.00 WAT +ATOM 17199 H1 TIP3 3630 20.841 25.749 -36.757 1.00 0.00 WAT +ATOM 17200 H2 TIP3 3630 20.442 24.333 -36.475 1.00 0.00 WAT +ATOM 17201 OH2 TIP3 3631 21.304 29.098 -30.551 1.00 0.00 WAT +ATOM 17202 H1 TIP3 3631 21.863 29.845 -30.826 1.00 0.00 WAT +ATOM 17203 H2 TIP3 3631 21.917 28.605 -29.982 1.00 0.00 WAT +ATOM 17204 OH2 TIP3 3632 19.747 30.046 -37.346 1.00 0.00 WAT +ATOM 17205 H1 TIP3 3632 18.791 30.188 -37.237 1.00 0.00 WAT +ATOM 17206 H2 TIP3 3632 20.102 30.915 -37.078 1.00 0.00 WAT +ATOM 17207 OH2 TIP3 3633 24.707 24.845 -30.985 1.00 0.00 WAT +ATOM 17208 H1 TIP3 3633 24.428 24.575 -30.092 1.00 0.00 WAT +ATOM 17209 H2 TIP3 3633 25.449 24.242 -31.154 1.00 0.00 WAT +ATOM 17210 OH2 TIP3 3634 26.837 26.079 -41.955 1.00 0.00 WAT +ATOM 17211 H1 TIP3 3634 27.368 25.689 -41.234 1.00 0.00 WAT +ATOM 17212 H2 TIP3 3634 25.958 26.014 -41.545 1.00 0.00 WAT +ATOM 17213 OH2 TIP3 3635 27.655 29.418 -28.588 1.00 0.00 WAT +ATOM 17214 H1 TIP3 3635 26.898 28.966 -29.008 1.00 0.00 WAT +ATOM 17215 H2 TIP3 3635 27.758 30.212 -29.144 1.00 0.00 WAT +ATOM 17216 OH2 TIP3 3636 31.716 30.606 -41.593 1.00 0.00 WAT +ATOM 17217 H1 TIP3 3636 32.440 31.252 -41.423 1.00 0.00 WAT +ATOM 17218 H2 TIP3 3636 30.936 31.162 -41.383 1.00 0.00 WAT +ATOM 17219 OH2 TIP3 3637 15.499 16.781 -28.909 1.00 0.00 WAT +ATOM 17220 H1 TIP3 3637 14.589 17.036 -29.154 1.00 0.00 WAT +ATOM 17221 H2 TIP3 3637 15.349 15.917 -28.484 1.00 0.00 WAT +ATOM 17222 OH2 TIP3 3638 27.842 24.727 -39.675 1.00 0.00 WAT +ATOM 17223 H1 TIP3 3638 27.573 23.983 -39.106 1.00 0.00 WAT +ATOM 17224 H2 TIP3 3638 28.812 24.695 -39.588 1.00 0.00 WAT +ATOM 17225 OH2 TIP3 3639 15.274 28.539 -30.504 1.00 0.00 WAT +ATOM 17226 H1 TIP3 3639 15.558 27.630 -30.327 1.00 0.00 WAT +ATOM 17227 H2 TIP3 3639 15.481 28.954 -29.658 1.00 0.00 WAT +ATOM 17228 OH2 TIP3 3640 21.346 27.169 -43.294 1.00 0.00 WAT +ATOM 17229 H1 TIP3 3640 21.762 26.323 -43.531 1.00 0.00 WAT +ATOM 17230 H2 TIP3 3640 20.867 26.923 -42.478 1.00 0.00 WAT +ATOM 17231 OH2 TIP3 3641 19.949 26.701 -40.797 1.00 0.00 WAT +ATOM 17232 H1 TIP3 3641 20.432 26.204 -40.118 1.00 0.00 WAT +ATOM 17233 H2 TIP3 3641 20.107 27.626 -40.514 1.00 0.00 WAT +ATOM 17234 OH2 TIP3 3642 16.839 24.120 -40.353 1.00 0.00 WAT +ATOM 17235 H1 TIP3 3642 16.053 24.480 -39.892 1.00 0.00 WAT +ATOM 17236 H2 TIP3 3642 17.235 24.945 -40.675 1.00 0.00 WAT +ATOM 17237 OH2 TIP3 3643 24.476 16.625 -30.356 1.00 0.00 WAT +ATOM 17238 H1 TIP3 3643 25.092 16.882 -29.656 1.00 0.00 WAT +ATOM 17239 H2 TIP3 3643 23.978 15.888 -29.949 1.00 0.00 WAT +ATOM 17240 OH2 TIP3 3644 25.037 16.215 -39.215 1.00 0.00 WAT +ATOM 17241 H1 TIP3 3644 25.399 16.662 -40.000 1.00 0.00 WAT +ATOM 17242 H2 TIP3 3644 25.591 16.576 -38.508 1.00 0.00 WAT +ATOM 17243 OH2 TIP3 3645 22.860 28.304 -40.317 1.00 0.00 WAT +ATOM 17244 H1 TIP3 3645 22.111 28.833 -40.002 1.00 0.00 WAT +ATOM 17245 H2 TIP3 3645 23.417 28.987 -40.709 1.00 0.00 WAT +ATOM 17246 OH2 TIP3 3646 22.453 18.143 -38.150 1.00 0.00 WAT +ATOM 17247 H1 TIP3 3646 23.284 18.646 -38.019 1.00 0.00 WAT +ATOM 17248 H2 TIP3 3646 22.219 17.911 -37.230 1.00 0.00 WAT +ATOM 17249 OH2 TIP3 3647 22.895 18.974 -28.998 1.00 0.00 WAT +ATOM 17250 H1 TIP3 3647 22.929 19.494 -28.179 1.00 0.00 WAT +ATOM 17251 H2 TIP3 3647 23.423 18.199 -28.763 1.00 0.00 WAT +ATOM 17252 OH2 TIP3 3648 23.153 15.106 -37.235 1.00 0.00 WAT +ATOM 17253 H1 TIP3 3648 22.956 15.785 -36.565 1.00 0.00 WAT +ATOM 17254 H2 TIP3 3648 23.862 15.542 -37.749 1.00 0.00 WAT +ATOM 17255 OH2 TIP3 3649 20.049 29.488 -40.256 1.00 0.00 WAT +ATOM 17256 H1 TIP3 3649 20.119 30.344 -40.729 1.00 0.00 WAT +ATOM 17257 H2 TIP3 3649 19.941 29.775 -39.330 1.00 0.00 WAT +ATOM 17258 OH2 TIP3 3650 18.844 16.147 -40.817 1.00 0.00 WAT +ATOM 17259 H1 TIP3 3650 18.817 16.841 -40.137 1.00 0.00 WAT +ATOM 17260 H2 TIP3 3650 19.584 15.597 -40.495 1.00 0.00 WAT +ATOM 17261 OH2 TIP3 3651 29.160 16.994 -28.101 1.00 0.00 WAT +ATOM 17262 H1 TIP3 3651 28.202 17.120 -28.261 1.00 0.00 WAT +ATOM 17263 H2 TIP3 3651 29.417 16.749 -29.004 1.00 0.00 WAT +ATOM 17264 OH2 TIP3 3652 27.673 20.820 -34.082 1.00 0.00 WAT +ATOM 17265 H1 TIP3 3652 26.853 20.367 -34.355 1.00 0.00 WAT +ATOM 17266 H2 TIP3 3652 28.157 20.105 -33.616 1.00 0.00 WAT +ATOM 17267 OH2 TIP3 3653 17.172 27.047 -41.538 1.00 0.00 WAT +ATOM 17268 H1 TIP3 3653 18.001 27.358 -41.139 1.00 0.00 WAT +ATOM 17269 H2 TIP3 3653 17.495 26.625 -42.347 1.00 0.00 WAT +ATOM 17270 OH2 TIP3 3654 15.502 19.280 -42.507 1.00 0.00 WAT +ATOM 17271 H1 TIP3 3654 15.552 20.244 -42.354 1.00 0.00 WAT +ATOM 17272 H2 TIP3 3654 14.615 19.197 -42.902 1.00 0.00 WAT +ATOM 17273 OH2 TIP3 3655 28.730 29.697 -32.669 1.00 0.00 WAT +ATOM 17274 H1 TIP3 3655 28.563 30.505 -33.193 1.00 0.00 WAT +ATOM 17275 H2 TIP3 3655 29.675 29.810 -32.477 1.00 0.00 WAT +ATOM 17276 OH2 TIP3 3656 16.293 14.188 -33.706 1.00 0.00 WAT +ATOM 17277 H1 TIP3 3656 16.129 14.162 -34.671 1.00 0.00 WAT +ATOM 17278 H2 TIP3 3656 15.971 13.315 -33.414 1.00 0.00 WAT +ATOM 17279 OH2 TIP3 3657 15.174 27.693 -37.476 1.00 0.00 WAT +ATOM 17280 H1 TIP3 3657 14.400 28.217 -37.232 1.00 0.00 WAT +ATOM 17281 H2 TIP3 3657 15.571 28.222 -38.181 1.00 0.00 WAT +ATOM 17282 OH2 TIP3 3658 14.596 30.588 -26.279 1.00 0.00 WAT +ATOM 17283 H1 TIP3 3658 15.185 30.299 -25.554 1.00 0.00 WAT +ATOM 17284 H2 TIP3 3658 14.214 29.734 -26.565 1.00 0.00 WAT +ATOM 17285 OH2 TIP3 3659 19.280 29.655 -24.503 1.00 0.00 WAT +ATOM 17286 H1 TIP3 3659 19.976 29.018 -24.282 1.00 0.00 WAT +ATOM 17287 H2 TIP3 3659 19.063 29.385 -25.411 1.00 0.00 WAT +ATOM 17288 OH2 TIP3 3660 23.509 29.019 -43.346 1.00 0.00 WAT +ATOM 17289 H1 TIP3 3660 22.713 28.459 -43.258 1.00 0.00 WAT +ATOM 17290 H2 TIP3 3660 24.180 28.341 -43.516 1.00 0.00 WAT +ATOM 17291 OH2 TIP3 3661 25.774 27.917 -25.929 1.00 0.00 WAT +ATOM 17292 H1 TIP3 3661 25.382 27.110 -25.547 1.00 0.00 WAT +ATOM 17293 H2 TIP3 3661 26.460 28.143 -25.275 1.00 0.00 WAT +ATOM 17294 OH2 TIP3 3662 27.412 28.704 -42.893 1.00 0.00 WAT +ATOM 17295 H1 TIP3 3662 27.663 27.916 -42.389 1.00 0.00 WAT +ATOM 17296 H2 TIP3 3662 28.266 29.097 -43.144 1.00 0.00 WAT +ATOM 17297 OH2 TIP3 3663 14.542 24.224 -25.169 1.00 0.00 WAT +ATOM 17298 H1 TIP3 3663 14.622 23.304 -25.473 1.00 0.00 WAT +ATOM 17299 H2 TIP3 3663 13.766 24.519 -25.682 1.00 0.00 WAT +ATOM 17300 OH2 TIP3 3664 18.845 24.343 -43.198 1.00 0.00 WAT +ATOM 17301 H1 TIP3 3664 19.181 24.184 -42.307 1.00 0.00 WAT +ATOM 17302 H2 TIP3 3664 19.611 24.696 -43.679 1.00 0.00 WAT +ATOM 17303 OH2 TIP3 3665 21.199 24.408 -25.830 1.00 0.00 WAT +ATOM 17304 H1 TIP3 3665 20.875 24.740 -26.683 1.00 0.00 WAT +ATOM 17305 H2 TIP3 3665 21.248 23.441 -25.978 1.00 0.00 WAT +ATOM 17306 OH2 TIP3 3666 24.102 25.801 -43.475 1.00 0.00 WAT +ATOM 17307 H1 TIP3 3666 24.284 25.966 -42.530 1.00 0.00 WAT +ATOM 17308 H2 TIP3 3666 24.814 25.192 -43.716 1.00 0.00 WAT +ATOM 17309 OH2 TIP3 3667 26.557 24.023 -28.428 1.00 0.00 WAT +ATOM 17310 H1 TIP3 3667 27.336 24.564 -28.629 1.00 0.00 WAT +ATOM 17311 H2 TIP3 3667 25.856 24.696 -28.448 1.00 0.00 WAT +ATOM 17312 OH2 TIP3 3668 15.417 21.371 -25.991 1.00 0.00 WAT +ATOM 17313 H1 TIP3 3668 16.134 20.714 -25.982 1.00 0.00 WAT +ATOM 17314 H2 TIP3 3668 15.360 21.577 -25.043 1.00 0.00 WAT +ATOM 17315 OH2 TIP3 3669 19.953 22.555 -40.904 1.00 0.00 WAT +ATOM 17316 H1 TIP3 3669 19.276 22.357 -40.238 1.00 0.00 WAT +ATOM 17317 H2 TIP3 3669 19.763 21.852 -41.543 1.00 0.00 WAT +ATOM 17318 OH2 TIP3 3670 19.061 20.474 -28.576 1.00 0.00 WAT +ATOM 17319 H1 TIP3 3670 18.536 21.264 -28.351 1.00 0.00 WAT +ATOM 17320 H2 TIP3 3670 19.724 20.846 -29.185 1.00 0.00 WAT +ATOM 17321 OH2 TIP3 3671 24.385 23.199 -24.991 1.00 0.00 WAT +ATOM 17322 H1 TIP3 3671 25.277 23.007 -25.316 1.00 0.00 WAT +ATOM 17323 H2 TIP3 3671 24.113 22.345 -24.633 1.00 0.00 WAT +ATOM 17324 OH2 TIP3 3672 19.682 17.795 -27.423 1.00 0.00 WAT +ATOM 17325 H1 TIP3 3672 19.732 17.121 -28.127 1.00 0.00 WAT +ATOM 17326 H2 TIP3 3672 19.453 18.591 -27.933 1.00 0.00 WAT +ATOM 17327 OH2 TIP3 3673 19.996 16.250 -29.965 1.00 0.00 WAT +ATOM 17328 H1 TIP3 3673 20.517 16.764 -30.612 1.00 0.00 WAT +ATOM 17329 H2 TIP3 3673 19.088 16.279 -30.333 1.00 0.00 WAT +ATOM 17330 OH2 TIP3 3674 21.550 21.693 -29.561 1.00 0.00 WAT +ATOM 17331 H1 TIP3 3674 22.383 21.610 -30.047 1.00 0.00 WAT +ATOM 17332 H2 TIP3 3674 21.238 22.567 -29.870 1.00 0.00 WAT +ATOM 17333 OH2 TIP3 3675 26.138 19.606 -24.702 1.00 0.00 WAT +ATOM 17334 H1 TIP3 3675 26.394 18.677 -24.778 1.00 0.00 WAT +ATOM 17335 H2 TIP3 3675 26.987 20.051 -24.859 1.00 0.00 WAT +ATOM 17336 OH2 TIP3 3676 27.093 22.411 -26.284 1.00 0.00 WAT +ATOM 17337 H1 TIP3 3676 26.748 23.028 -26.965 1.00 0.00 WAT +ATOM 17338 H2 TIP3 3676 27.992 22.269 -26.645 1.00 0.00 WAT +ATOM 17339 OH2 TIP3 3677 17.892 19.623 -25.623 1.00 0.00 WAT +ATOM 17340 H1 TIP3 3677 17.341 18.820 -25.609 1.00 0.00 WAT +ATOM 17341 H2 TIP3 3677 18.689 19.305 -26.073 1.00 0.00 WAT +ATOM 17342 OH2 TIP3 3678 20.716 13.577 -29.603 1.00 0.00 WAT +ATOM 17343 H1 TIP3 3678 20.539 14.527 -29.774 1.00 0.00 WAT +ATOM 17344 H2 TIP3 3678 20.025 13.153 -30.148 1.00 0.00 WAT +ATOM 17345 OH2 TIP3 3679 21.982 18.145 -25.815 1.00 0.00 WAT +ATOM 17346 H1 TIP3 3679 21.601 17.930 -24.945 1.00 0.00 WAT +ATOM 17347 H2 TIP3 3679 21.198 17.955 -26.375 1.00 0.00 WAT +ATOM 17348 OH2 TIP3 3680 24.536 17.212 -26.942 1.00 0.00 WAT +ATOM 17349 H1 TIP3 3680 23.639 17.235 -26.561 1.00 0.00 WAT +ATOM 17350 H2 TIP3 3680 24.976 16.553 -26.373 1.00 0.00 WAT +ATOM 17351 OH2 TIP3 3681 26.368 15.719 -25.152 1.00 0.00 WAT +ATOM 17352 H1 TIP3 3681 26.226 14.752 -25.075 1.00 0.00 WAT +ATOM 17353 H2 TIP3 3681 26.152 16.040 -24.265 1.00 0.00 WAT +ATOM 17354 OH2 TIP3 3682 16.557 17.076 -25.783 1.00 0.00 WAT +ATOM 17355 H1 TIP3 3682 16.452 16.373 -26.443 1.00 0.00 WAT +ATOM 17356 H2 TIP3 3682 16.309 16.612 -24.962 1.00 0.00 WAT +ATOM 17357 OH2 TIP3 3683 20.563 13.056 -26.788 1.00 0.00 WAT +ATOM 17358 H1 TIP3 3683 21.171 12.299 -26.751 1.00 0.00 WAT +ATOM 17359 H2 TIP3 3683 20.524 13.208 -27.754 1.00 0.00 WAT +ATOM 17360 OH2 TIP3 3684 21.510 14.940 -24.937 1.00 0.00 WAT +ATOM 17361 H1 TIP3 3684 21.208 14.343 -25.652 1.00 0.00 WAT +ATOM 17362 H2 TIP3 3684 20.808 15.611 -24.915 1.00 0.00 WAT +ATOM 17363 OH2 TIP3 3685 20.640 31.941 -41.741 1.00 0.00 WAT +ATOM 17364 H1 TIP3 3685 21.581 32.128 -41.601 1.00 0.00 WAT +ATOM 17365 H2 TIP3 3685 20.385 32.588 -42.418 1.00 0.00 WAT +ATOM 17366 OH2 TIP3 3686 14.488 25.994 -41.945 1.00 0.00 WAT +ATOM 17367 H1 TIP3 3686 15.367 26.409 -41.983 1.00 0.00 WAT +ATOM 17368 H2 TIP3 3686 14.429 25.524 -42.789 1.00 0.00 WAT +ATOM 17369 OH2 TIP3 3687 13.542 31.528 -37.227 1.00 0.00 WAT +ATOM 17370 H1 TIP3 3687 12.790 31.200 -37.762 1.00 0.00 WAT +ATOM 17371 H2 TIP3 3687 13.561 30.876 -36.498 1.00 0.00 WAT +ATOM 17372 OH2 TIP3 3688 13.883 29.569 -35.205 1.00 0.00 WAT +ATOM 17373 H1 TIP3 3688 13.577 28.705 -34.883 1.00 0.00 WAT +ATOM 17374 H2 TIP3 3688 14.205 29.939 -34.368 1.00 0.00 WAT +ATOM 17375 OH2 TIP3 3689 31.535 30.809 -32.240 1.00 0.00 WAT +ATOM 17376 H1 TIP3 3689 31.711 30.800 -31.290 1.00 0.00 WAT +ATOM 17377 H2 TIP3 3689 32.358 31.206 -32.577 1.00 0.00 WAT +ATOM 17378 OH2 TIP3 3690 31.301 30.302 -29.296 1.00 0.00 WAT +ATOM 17379 H1 TIP3 3690 30.813 29.559 -29.694 1.00 0.00 WAT +ATOM 17380 H2 TIP3 3690 31.869 29.821 -28.675 1.00 0.00 WAT +ATOM 17381 OH2 TIP3 3691 29.306 25.711 -25.008 1.00 0.00 WAT +ATOM 17382 H1 TIP3 3691 28.418 25.816 -24.624 1.00 0.00 WAT +ATOM 17383 H2 TIP3 3691 29.759 26.523 -24.724 1.00 0.00 WAT +ATOM 17384 OH2 TIP3 3692 30.710 24.563 -39.307 1.00 0.00 WAT +ATOM 17385 H1 TIP3 3692 31.605 24.933 -39.170 1.00 0.00 WAT +ATOM 17386 H2 TIP3 3692 30.678 23.929 -38.565 1.00 0.00 WAT +ATOM 17387 OH2 TIP3 3693 31.160 22.562 -37.324 1.00 0.00 WAT +ATOM 17388 H1 TIP3 3693 30.494 22.010 -36.871 1.00 0.00 WAT +ATOM 17389 H2 TIP3 3693 31.846 22.698 -36.642 1.00 0.00 WAT +ATOM 17390 OH2 TIP3 3694 30.892 25.078 -32.337 1.00 0.00 WAT +ATOM 17391 H1 TIP3 3694 31.511 24.596 -32.905 1.00 0.00 WAT +ATOM 17392 H2 TIP3 3694 31.030 25.995 -32.632 1.00 0.00 WAT +ATOM 17393 OH2 TIP3 3695 29.609 27.979 -30.079 1.00 0.00 WAT +ATOM 17394 H1 TIP3 3695 28.878 28.400 -29.594 1.00 0.00 WAT +ATOM 17395 H2 TIP3 3695 29.157 27.638 -30.875 1.00 0.00 WAT +ATOM 17396 OH2 TIP3 3696 31.454 22.232 -41.068 1.00 0.00 WAT +ATOM 17397 H1 TIP3 3696 30.840 22.530 -41.755 1.00 0.00 WAT +ATOM 17398 H2 TIP3 3696 31.274 22.892 -40.378 1.00 0.00 WAT +ATOM 17399 OH2 TIP3 3697 29.670 19.631 -42.133 1.00 0.00 WAT +ATOM 17400 H1 TIP3 3697 29.966 20.342 -42.723 1.00 0.00 WAT +ATOM 17401 H2 TIP3 3697 29.992 18.850 -42.592 1.00 0.00 WAT +ATOM 17402 OH2 TIP3 3698 29.069 20.728 -36.512 1.00 0.00 WAT +ATOM 17403 H1 TIP3 3698 28.998 19.774 -36.675 1.00 0.00 WAT +ATOM 17404 H2 TIP3 3698 28.693 20.816 -35.614 1.00 0.00 WAT +ATOM 17405 OH2 TIP3 3699 13.949 22.923 -32.799 1.00 0.00 WAT +ATOM 17406 H1 TIP3 3699 14.204 22.981 -33.735 1.00 0.00 WAT +ATOM 17407 H2 TIP3 3699 14.814 22.710 -32.392 1.00 0.00 WAT +ATOM 17408 OH2 TIP3 3700 29.703 22.639 -27.352 1.00 0.00 WAT +ATOM 17409 H1 TIP3 3700 30.450 22.033 -27.189 1.00 0.00 WAT +ATOM 17410 H2 TIP3 3700 30.152 23.472 -27.555 1.00 0.00 WAT +ATOM 17411 OH2 TIP3 3701 31.256 20.738 -26.114 1.00 0.00 WAT +ATOM 17412 H1 TIP3 3701 30.470 20.208 -26.363 1.00 0.00 WAT +ATOM 17413 H2 TIP3 3701 31.967 20.071 -26.168 1.00 0.00 WAT +ATOM 17414 OH2 TIP3 3702 28.894 16.505 -43.334 1.00 0.00 WAT +ATOM 17415 H1 TIP3 3702 29.447 16.166 -42.623 1.00 0.00 WAT +ATOM 17416 H2 TIP3 3702 28.028 16.088 -43.178 1.00 0.00 WAT +ATOM 17417 OH2 TIP3 3703 28.913 18.245 -38.348 1.00 0.00 WAT +ATOM 17418 H1 TIP3 3703 29.166 17.298 -38.281 1.00 0.00 WAT +ATOM 17419 H2 TIP3 3703 29.727 18.620 -38.722 1.00 0.00 WAT +ATOM 17420 OH2 TIP3 3704 29.206 18.822 -32.888 1.00 0.00 WAT +ATOM 17421 H1 TIP3 3704 30.179 18.925 -32.911 1.00 0.00 WAT +ATOM 17422 H2 TIP3 3704 29.057 18.839 -31.927 1.00 0.00 WAT +ATOM 17423 OH2 TIP3 3705 29.373 19.517 -30.056 1.00 0.00 WAT +ATOM 17424 H1 TIP3 3705 28.513 19.902 -29.805 1.00 0.00 WAT +ATOM 17425 H2 TIP3 3705 29.892 20.313 -30.281 1.00 0.00 WAT +ATOM 17426 OH2 TIP3 3706 13.883 18.307 -26.430 1.00 0.00 WAT +ATOM 17427 H1 TIP3 3706 14.815 18.040 -26.349 1.00 0.00 WAT +ATOM 17428 H2 TIP3 3706 13.431 17.447 -26.344 1.00 0.00 WAT +ATOM 17429 OH2 TIP3 3707 31.911 13.670 -24.780 1.00 0.00 WAT +ATOM 17430 H1 TIP3 3707 32.342 12.974 -25.312 1.00 0.00 WAT +ATOM 17431 H2 TIP3 3707 31.963 14.442 -25.374 1.00 0.00 WAT +ATOM 17432 OH2 TIP3 3708 29.418 15.487 -38.298 1.00 0.00 WAT +ATOM 17433 H1 TIP3 3708 29.523 15.113 -37.407 1.00 0.00 WAT +ATOM 17434 H2 TIP3 3708 28.679 14.946 -38.645 1.00 0.00 WAT +ATOM 17435 OH2 TIP3 3709 14.632 16.609 -33.595 1.00 0.00 WAT +ATOM 17436 H1 TIP3 3709 15.097 15.756 -33.534 1.00 0.00 WAT +ATOM 17437 H2 TIP3 3709 15.313 17.213 -33.244 1.00 0.00 WAT +ATOM 17438 OH2 TIP3 3710 13.175 19.285 -32.549 1.00 0.00 WAT +ATOM 17439 H1 TIP3 3710 13.752 19.256 -33.329 1.00 0.00 WAT +ATOM 17440 H2 TIP3 3710 13.532 20.053 -32.085 1.00 0.00 WAT +ATOM 17441 OH2 TIP3 3711 31.304 15.731 -26.541 1.00 0.00 WAT +ATOM 17442 H1 TIP3 3711 30.420 16.137 -26.509 1.00 0.00 WAT +ATOM 17443 H2 TIP3 3711 31.197 15.161 -27.325 1.00 0.00 WAT +ATOM 17444 OH2 TIP3 3712 31.453 15.874 -41.740 1.00 0.00 WAT +ATOM 17445 H1 TIP3 3712 31.683 15.166 -42.351 1.00 0.00 WAT +ATOM 17446 H2 TIP3 3712 32.280 16.382 -41.703 1.00 0.00 WAT +ATOM 17447 OH2 TIP3 3713 13.658 15.678 -38.486 1.00 0.00 WAT +ATOM 17448 H1 TIP3 3713 12.716 15.661 -38.725 1.00 0.00 WAT +ATOM 17449 H2 TIP3 3713 14.048 16.230 -39.191 1.00 0.00 WAT +ATOM 17450 OH2 TIP3 3714 28.263 30.863 -36.375 1.00 0.00 WAT +ATOM 17451 H1 TIP3 3714 28.717 30.643 -37.207 1.00 0.00 WAT +ATOM 17452 H2 TIP3 3714 28.971 31.290 -35.877 1.00 0.00 WAT +ATOM 17453 OH2 TIP3 3715 13.592 14.545 -30.202 1.00 0.00 WAT +ATOM 17454 H1 TIP3 3715 12.872 14.094 -29.756 1.00 0.00 WAT +ATOM 17455 H2 TIP3 3715 13.123 15.028 -30.908 1.00 0.00 WAT +ATOM 17456 OH2 TIP3 3716 15.702 27.630 -25.670 1.00 0.00 WAT +ATOM 17457 H1 TIP3 3716 14.971 27.576 -26.302 1.00 0.00 WAT +ATOM 17458 H2 TIP3 3716 15.249 27.538 -24.821 1.00 0.00 WAT +ATOM 17459 OH2 TIP3 3717 18.542 28.582 -30.003 1.00 0.00 WAT +ATOM 17460 H1 TIP3 3717 18.232 29.438 -30.346 1.00 0.00 WAT +ATOM 17461 H2 TIP3 3717 19.501 28.676 -30.173 1.00 0.00 WAT +ATOM 17462 OH2 TIP3 3718 23.051 29.888 -26.983 1.00 0.00 WAT +ATOM 17463 H1 TIP3 3718 23.192 29.724 -26.036 1.00 0.00 WAT +ATOM 17464 H2 TIP3 3718 23.883 30.340 -27.231 1.00 0.00 WAT +ATOM 17465 OH2 TIP3 3719 25.341 31.351 -27.747 1.00 0.00 WAT +ATOM 17466 H1 TIP3 3719 26.029 30.706 -27.971 1.00 0.00 WAT +ATOM 17467 H2 TIP3 3719 25.644 31.655 -26.869 1.00 0.00 WAT +ATOM 17468 OH2 TIP3 3720 30.171 13.946 -28.550 1.00 0.00 WAT +ATOM 17469 H1 TIP3 3720 29.366 14.134 -29.064 1.00 0.00 WAT +ATOM 17470 H2 TIP3 3720 30.393 13.048 -28.875 1.00 0.00 WAT +ATOM 17471 OH2 TIP3 3721 15.915 31.542 -29.663 1.00 0.00 WAT +ATOM 17472 H1 TIP3 3721 15.318 32.171 -30.109 1.00 0.00 WAT +ATOM 17473 H2 TIP3 3721 15.575 31.585 -28.762 1.00 0.00 WAT +ATOM 17474 OH2 TIP3 3722 18.410 31.314 -31.113 1.00 0.00 WAT +ATOM 17475 H1 TIP3 3722 17.556 31.500 -30.675 1.00 0.00 WAT +ATOM 17476 H2 TIP3 3722 18.444 32.008 -31.797 1.00 0.00 WAT +ATOM 17477 OH2 TIP3 3723 23.152 31.312 -31.551 1.00 0.00 WAT +ATOM 17478 H1 TIP3 3723 22.779 31.762 -32.329 1.00 0.00 WAT +ATOM 17479 H2 TIP3 3723 23.240 32.054 -30.923 1.00 0.00 WAT +ATOM 17480 OH2 TIP3 3724 25.486 30.024 -30.635 1.00 0.00 WAT +ATOM 17481 H1 TIP3 3724 24.641 30.387 -30.962 1.00 0.00 WAT +ATOM 17482 H2 TIP3 3724 26.052 30.810 -30.650 1.00 0.00 WAT +ATOM 17483 OH2 TIP3 3725 28.018 31.753 -30.440 1.00 0.00 WAT +ATOM 17484 H1 TIP3 3725 27.979 32.702 -30.670 1.00 0.00 WAT +ATOM 17485 H2 TIP3 3725 28.299 31.374 -31.290 1.00 0.00 WAT +ATOM 17486 OH2 TIP3 3726 15.499 30.336 -32.719 1.00 0.00 WAT +ATOM 17487 H1 TIP3 3726 15.475 29.847 -31.867 1.00 0.00 WAT +ATOM 17488 H2 TIP3 3726 16.261 29.902 -33.151 1.00 0.00 WAT +ATOM 17489 OH2 TIP3 3727 17.521 29.089 -34.293 1.00 0.00 WAT +ATOM 17490 H1 TIP3 3727 17.359 28.165 -34.008 1.00 0.00 WAT +ATOM 17491 H2 TIP3 3727 18.427 29.244 -33.960 1.00 0.00 WAT +ATOM 17492 OH2 TIP3 3728 20.270 29.550 -33.394 1.00 0.00 WAT +ATOM 17493 H1 TIP3 3728 20.461 28.618 -33.602 1.00 0.00 WAT +ATOM 17494 H2 TIP3 3728 20.340 29.532 -32.426 1.00 0.00 WAT +ATOM 17495 OH2 TIP3 3729 23.597 15.444 -34.096 1.00 0.00 WAT +ATOM 17496 H1 TIP3 3729 22.911 14.765 -33.948 1.00 0.00 WAT +ATOM 17497 H2 TIP3 3729 24.204 14.981 -34.695 1.00 0.00 WAT +ATOM 17498 OH2 TIP3 3730 28.550 13.484 -33.617 1.00 0.00 WAT +ATOM 17499 H1 TIP3 3730 29.309 13.912 -34.049 1.00 0.00 WAT +ATOM 17500 H2 TIP3 3730 27.805 13.753 -34.181 1.00 0.00 WAT +ATOM 17501 OH2 TIP3 3731 30.637 14.561 -35.745 1.00 0.00 WAT +ATOM 17502 H1 TIP3 3731 31.342 14.156 -36.277 1.00 0.00 WAT +ATOM 17503 H2 TIP3 3731 30.946 15.486 -35.672 1.00 0.00 WAT +ATOM 17504 OH2 TIP3 3732 15.964 14.164 -36.526 1.00 0.00 WAT +ATOM 17505 H1 TIP3 3732 15.099 14.044 -36.966 1.00 0.00 WAT +ATOM 17506 H2 TIP3 3732 16.373 13.292 -36.682 1.00 0.00 WAT +ATOM 17507 OH2 TIP3 3733 14.756 13.711 -40.786 1.00 0.00 WAT +ATOM 17508 H1 TIP3 3733 15.331 14.346 -41.267 1.00 0.00 WAT +ATOM 17509 H2 TIP3 3733 14.398 14.270 -40.080 1.00 0.00 WAT +ATOM 17510 OH2 TIP3 3734 20.414 14.016 -36.657 1.00 0.00 WAT +ATOM 17511 H1 TIP3 3734 21.338 14.277 -36.802 1.00 0.00 WAT +ATOM 17512 H2 TIP3 3734 20.402 13.889 -35.701 1.00 0.00 WAT +ATOM 17513 OH2 TIP3 3735 26.031 14.024 -35.237 1.00 0.00 WAT +ATOM 17514 H1 TIP3 3735 26.269 13.874 -36.163 1.00 0.00 WAT +ATOM 17515 H2 TIP3 3735 25.633 13.166 -34.995 1.00 0.00 WAT +ATOM 17516 OH2 TIP3 3736 27.061 14.004 -39.197 1.00 0.00 WAT +ATOM 17517 H1 TIP3 3736 26.275 14.446 -39.557 1.00 0.00 WAT +ATOM 17518 H2 TIP3 3736 26.745 13.082 -39.145 1.00 0.00 WAT +ATOM 17519 OH2 TIP3 3737 14.836 29.616 -39.673 1.00 0.00 WAT +ATOM 17520 H1 TIP3 3737 14.101 29.601 -40.309 1.00 0.00 WAT +ATOM 17521 H2 TIP3 3737 14.821 30.542 -39.404 1.00 0.00 WAT +ATOM 17522 OH2 TIP3 3738 16.418 15.459 -42.295 1.00 0.00 WAT +ATOM 17523 H1 TIP3 3738 16.926 14.832 -42.829 1.00 0.00 WAT +ATOM 17524 H2 TIP3 3738 17.123 15.892 -41.780 1.00 0.00 WAT +ATOM 17525 OH2 TIP3 3739 21.554 15.641 -39.594 1.00 0.00 WAT +ATOM 17526 H1 TIP3 3739 21.937 15.076 -38.906 1.00 0.00 WAT +ATOM 17527 H2 TIP3 3739 21.782 16.516 -39.245 1.00 0.00 WAT +ATOM 17528 OH2 TIP3 3740 23.595 31.239 -41.451 1.00 0.00 WAT +ATOM 17529 H1 TIP3 3740 24.569 31.365 -41.494 1.00 0.00 WAT +ATOM 17530 H2 TIP3 3740 23.482 30.640 -42.212 1.00 0.00 WAT +ATOM 17531 OH2 TIP3 3741 30.031 30.450 -38.850 1.00 0.00 WAT +ATOM 17532 H1 TIP3 3741 29.834 29.618 -39.322 1.00 0.00 WAT +ATOM 17533 H2 TIP3 3741 29.994 31.108 -39.571 1.00 0.00 WAT +ATOM 17534 OH2 TIP3 3742 15.750 14.380 -27.010 1.00 0.00 WAT +ATOM 17535 H1 TIP3 3742 15.349 13.574 -26.638 1.00 0.00 WAT +ATOM 17536 H2 TIP3 3742 16.672 14.271 -26.730 1.00 0.00 WAT +ATOM 17537 OH2 TIP3 3743 18.143 13.782 -25.264 1.00 0.00 WAT +ATOM 17538 H1 TIP3 3743 18.960 13.435 -25.676 1.00 0.00 WAT +ATOM 17539 H2 TIP3 3743 17.783 12.980 -24.854 1.00 0.00 WAT +ATOM 17540 OH2 TIP3 3744 16.823 30.678 -42.324 1.00 0.00 WAT +ATOM 17541 H1 TIP3 3744 16.403 30.946 -41.497 1.00 0.00 WAT +ATOM 17542 H2 TIP3 3744 17.461 30.014 -42.048 1.00 0.00 WAT +ATOM 17543 OH2 TIP3 3745 26.261 12.917 -25.092 1.00 0.00 WAT +ATOM 17544 H1 TIP3 3745 26.291 12.474 -24.222 1.00 0.00 WAT +ATOM 17545 H2 TIP3 3745 27.197 12.862 -25.363 1.00 0.00 WAT +ATOM 17546 OH2 TIP3 3746 29.622 29.227 -26.406 1.00 0.00 WAT +ATOM 17547 H1 TIP3 3746 28.890 29.032 -27.018 1.00 0.00 WAT +ATOM 17548 H2 TIP3 3746 29.446 30.165 -26.207 1.00 0.00 WAT +ATOM 17549 OH2 TIP3 3747 42.133 21.965 -33.128 1.00 0.00 WAT +ATOM 17550 H1 TIP3 3747 42.912 22.276 -32.628 1.00 0.00 WAT +ATOM 17551 H2 TIP3 3747 42.461 21.971 -34.034 1.00 0.00 WAT +ATOM 17552 OH2 TIP3 3748 35.146 21.927 -31.522 1.00 0.00 WAT +ATOM 17553 H1 TIP3 3748 35.142 21.184 -30.892 1.00 0.00 WAT +ATOM 17554 H2 TIP3 3748 35.867 22.469 -31.170 1.00 0.00 WAT +ATOM 17555 OH2 TIP3 3749 35.801 26.549 -33.003 1.00 0.00 WAT +ATOM 17556 H1 TIP3 3749 35.572 25.636 -33.277 1.00 0.00 WAT +ATOM 17557 H2 TIP3 3749 36.746 26.440 -32.821 1.00 0.00 WAT +ATOM 17558 OH2 TIP3 3750 32.811 19.961 -37.634 1.00 0.00 WAT +ATOM 17559 H1 TIP3 3750 32.414 20.839 -37.520 1.00 0.00 WAT +ATOM 17560 H2 TIP3 3750 32.097 19.482 -38.076 1.00 0.00 WAT +ATOM 17561 OH2 TIP3 3751 33.597 22.416 -35.795 1.00 0.00 WAT +ATOM 17562 H1 TIP3 3751 33.758 21.594 -35.293 1.00 0.00 WAT +ATOM 17563 H2 TIP3 3751 34.447 22.546 -36.236 1.00 0.00 WAT +ATOM 17564 OH2 TIP3 3752 41.197 24.854 -32.525 1.00 0.00 WAT +ATOM 17565 H1 TIP3 3752 41.459 24.120 -33.104 1.00 0.00 WAT +ATOM 17566 H2 TIP3 3752 42.037 25.075 -32.104 1.00 0.00 WAT +ATOM 17567 OH2 TIP3 3753 37.446 17.196 -35.049 1.00 0.00 WAT +ATOM 17568 H1 TIP3 3753 37.583 18.059 -35.489 1.00 0.00 WAT +ATOM 17569 H2 TIP3 3753 37.072 16.688 -35.791 1.00 0.00 WAT +ATOM 17570 OH2 TIP3 3754 34.117 19.925 -34.534 1.00 0.00 WAT +ATOM 17571 H1 TIP3 3754 34.751 19.454 -33.969 1.00 0.00 WAT +ATOM 17572 H2 TIP3 3754 34.204 19.438 -35.372 1.00 0.00 WAT +ATOM 17573 OH2 TIP3 3755 39.516 21.286 -35.065 1.00 0.00 WAT +ATOM 17574 H1 TIP3 3755 40.268 20.766 -34.717 1.00 0.00 WAT +ATOM 17575 H2 TIP3 3755 39.019 20.592 -35.533 1.00 0.00 WAT +ATOM 17576 OH2 TIP3 3756 36.240 15.981 -30.890 1.00 0.00 WAT +ATOM 17577 H1 TIP3 3756 35.841 16.489 -31.612 1.00 0.00 WAT +ATOM 17578 H2 TIP3 3756 35.578 16.116 -30.183 1.00 0.00 WAT +ATOM 17579 OH2 TIP3 3757 39.152 23.811 -30.743 1.00 0.00 WAT +ATOM 17580 H1 TIP3 3757 38.430 24.421 -30.488 1.00 0.00 WAT +ATOM 17581 H2 TIP3 3757 39.805 24.419 -31.135 1.00 0.00 WAT +ATOM 17582 OH2 TIP3 3758 35.838 18.030 -32.949 1.00 0.00 WAT +ATOM 17583 H1 TIP3 3758 36.481 18.609 -32.486 1.00 0.00 WAT +ATOM 17584 H2 TIP3 3758 36.416 17.664 -33.654 1.00 0.00 WAT +ATOM 17585 OH2 TIP3 3759 37.154 25.731 -30.020 1.00 0.00 WAT +ATOM 17586 H1 TIP3 3759 37.137 26.642 -30.364 1.00 0.00 WAT +ATOM 17587 H2 TIP3 3759 36.278 25.701 -29.590 1.00 0.00 WAT +ATOM 17588 OH2 TIP3 3760 33.451 25.467 -39.181 1.00 0.00 WAT +ATOM 17589 H1 TIP3 3760 33.271 25.934 -40.015 1.00 0.00 WAT +ATOM 17590 H2 TIP3 3760 33.636 26.210 -38.558 1.00 0.00 WAT +ATOM 17591 OH2 TIP3 3761 40.425 13.450 -33.751 1.00 0.00 WAT +ATOM 17592 H1 TIP3 3761 40.142 12.517 -33.751 1.00 0.00 WAT +ATOM 17593 H2 TIP3 3761 39.631 13.889 -33.381 1.00 0.00 WAT +ATOM 17594 OH2 TIP3 3762 42.720 22.245 -39.182 1.00 0.00 WAT +ATOM 17595 H1 TIP3 3762 42.019 22.926 -39.221 1.00 0.00 WAT +ATOM 17596 H2 TIP3 3762 43.377 22.645 -39.755 1.00 0.00 WAT +ATOM 17597 OH2 TIP3 3763 42.864 20.823 -42.127 1.00 0.00 WAT +ATOM 17598 H1 TIP3 3763 43.524 20.887 -41.416 1.00 0.00 WAT +ATOM 17599 H2 TIP3 3763 43.021 19.945 -42.475 1.00 0.00 WAT +ATOM 17600 OH2 TIP3 3764 37.579 23.169 -36.141 1.00 0.00 WAT +ATOM 17601 H1 TIP3 3764 37.288 22.739 -36.967 1.00 0.00 WAT +ATOM 17602 H2 TIP3 3764 38.240 22.536 -35.805 1.00 0.00 WAT +ATOM 17603 OH2 TIP3 3765 38.958 26.562 -33.395 1.00 0.00 WAT +ATOM 17604 H1 TIP3 3765 38.875 26.186 -34.281 1.00 0.00 WAT +ATOM 17605 H2 TIP3 3765 39.760 26.118 -33.061 1.00 0.00 WAT +ATOM 17606 OH2 TIP3 3766 38.153 22.005 -32.674 1.00 0.00 WAT +ATOM 17607 H1 TIP3 3766 38.758 21.992 -33.442 1.00 0.00 WAT +ATOM 17608 H2 TIP3 3766 38.574 22.662 -32.087 1.00 0.00 WAT +ATOM 17609 OH2 TIP3 3767 39.032 26.345 -27.844 1.00 0.00 WAT +ATOM 17610 H1 TIP3 3767 38.515 27.009 -27.356 1.00 0.00 WAT +ATOM 17611 H2 TIP3 3767 38.397 26.079 -28.536 1.00 0.00 WAT +ATOM 17612 OH2 TIP3 3768 35.950 22.690 -28.694 1.00 0.00 WAT +ATOM 17613 H1 TIP3 3768 36.002 23.302 -27.937 1.00 0.00 WAT +ATOM 17614 H2 TIP3 3768 34.987 22.593 -28.796 1.00 0.00 WAT +ATOM 17615 OH2 TIP3 3769 42.509 28.437 -36.992 1.00 0.00 WAT +ATOM 17616 H1 TIP3 3769 42.992 28.918 -36.298 1.00 0.00 WAT +ATOM 17617 H2 TIP3 3769 41.993 29.145 -37.401 1.00 0.00 WAT +ATOM 17618 OH2 TIP3 3770 37.109 28.522 -27.015 1.00 0.00 WAT +ATOM 17619 H1 TIP3 3770 37.007 28.549 -27.983 1.00 0.00 WAT +ATOM 17620 H2 TIP3 3770 36.230 28.227 -26.711 1.00 0.00 WAT +ATOM 17621 OH2 TIP3 3771 36.524 21.917 -38.648 1.00 0.00 WAT +ATOM 17622 H1 TIP3 3771 36.281 22.694 -39.183 1.00 0.00 WAT +ATOM 17623 H2 TIP3 3771 35.818 21.298 -38.873 1.00 0.00 WAT +ATOM 17624 OH2 TIP3 3772 32.550 24.609 -29.893 1.00 0.00 WAT +ATOM 17625 H1 TIP3 3772 32.119 24.612 -30.770 1.00 0.00 WAT +ATOM 17626 H2 TIP3 3772 32.689 23.657 -29.737 1.00 0.00 WAT +ATOM 17627 OH2 TIP3 3773 32.613 27.526 -32.955 1.00 0.00 WAT +ATOM 17628 H1 TIP3 3773 33.545 27.262 -32.926 1.00 0.00 WAT +ATOM 17629 H2 TIP3 3773 32.575 28.156 -32.220 1.00 0.00 WAT +ATOM 17630 OH2 TIP3 3774 41.730 27.354 -28.334 1.00 0.00 WAT +ATOM 17631 H1 TIP3 3774 41.802 28.240 -27.953 1.00 0.00 WAT +ATOM 17632 H2 TIP3 3774 40.817 27.087 -28.121 1.00 0.00 WAT +ATOM 17633 OH2 TIP3 3775 41.835 31.165 -38.459 1.00 0.00 WAT +ATOM 17634 H1 TIP3 3775 42.064 31.111 -39.403 1.00 0.00 WAT +ATOM 17635 H2 TIP3 3775 42.107 32.053 -38.208 1.00 0.00 WAT +ATOM 17636 OH2 TIP3 3776 35.776 30.038 -37.031 1.00 0.00 WAT +ATOM 17637 H1 TIP3 3776 35.864 30.133 -36.067 1.00 0.00 WAT +ATOM 17638 H2 TIP3 3776 34.855 30.296 -37.153 1.00 0.00 WAT +ATOM 17639 OH2 TIP3 3777 34.735 26.200 -28.667 1.00 0.00 WAT +ATOM 17640 H1 TIP3 3777 35.003 25.725 -27.856 1.00 0.00 WAT +ATOM 17641 H2 TIP3 3777 34.008 25.655 -29.017 1.00 0.00 WAT +ATOM 17642 OH2 TIP3 3778 37.971 14.616 -32.906 1.00 0.00 WAT +ATOM 17643 H1 TIP3 3778 37.137 14.548 -33.405 1.00 0.00 WAT +ATOM 17644 H2 TIP3 3778 37.759 15.361 -32.323 1.00 0.00 WAT +ATOM 17645 OH2 TIP3 3779 42.338 13.987 -28.625 1.00 0.00 WAT +ATOM 17646 H1 TIP3 3779 42.451 13.264 -27.990 1.00 0.00 WAT +ATOM 17647 H2 TIP3 3779 41.424 13.814 -28.935 1.00 0.00 WAT +ATOM 17648 OH2 TIP3 3780 42.233 16.691 -42.073 1.00 0.00 WAT +ATOM 17649 H1 TIP3 3780 41.588 16.656 -41.359 1.00 0.00 WAT +ATOM 17650 H2 TIP3 3780 41.887 16.029 -42.683 1.00 0.00 WAT +ATOM 17651 OH2 TIP3 3781 37.786 19.425 -31.491 1.00 0.00 WAT +ATOM 17652 H1 TIP3 3781 37.204 19.545 -30.724 1.00 0.00 WAT +ATOM 17653 H2 TIP3 3781 37.875 20.337 -31.843 1.00 0.00 WAT +ATOM 17654 OH2 TIP3 3782 37.741 19.479 -36.599 1.00 0.00 WAT +ATOM 17655 H1 TIP3 3782 36.783 19.394 -36.756 1.00 0.00 WAT +ATOM 17656 H2 TIP3 3782 38.085 19.317 -37.497 1.00 0.00 WAT +ATOM 17657 OH2 TIP3 3783 42.722 19.994 -37.113 1.00 0.00 WAT +ATOM 17658 H1 TIP3 3783 42.655 20.931 -37.364 1.00 0.00 WAT +ATOM 17659 H2 TIP3 3783 43.658 19.897 -36.888 1.00 0.00 WAT +ATOM 17660 OH2 TIP3 3784 42.515 20.315 -26.259 1.00 0.00 WAT +ATOM 17661 H1 TIP3 3784 41.948 19.522 -26.133 1.00 0.00 WAT +ATOM 17662 H2 TIP3 3784 43.384 19.871 -26.294 1.00 0.00 WAT +ATOM 17663 OH2 TIP3 3785 35.146 19.590 -29.631 1.00 0.00 WAT +ATOM 17664 H1 TIP3 3785 35.441 19.883 -28.760 1.00 0.00 WAT +ATOM 17665 H2 TIP3 3785 34.817 18.695 -29.436 1.00 0.00 WAT +ATOM 17666 OH2 TIP3 3786 38.927 16.933 -43.137 1.00 0.00 WAT +ATOM 17667 H1 TIP3 3786 38.550 16.726 -42.262 1.00 0.00 WAT +ATOM 17668 H2 TIP3 3786 38.220 17.503 -43.497 1.00 0.00 WAT +ATOM 17669 OH2 TIP3 3787 31.996 17.054 -36.003 1.00 0.00 WAT +ATOM 17670 H1 TIP3 3787 32.613 17.013 -35.249 1.00 0.00 WAT +ATOM 17671 H2 TIP3 3787 32.497 16.660 -36.733 1.00 0.00 WAT +ATOM 17672 OH2 TIP3 3788 33.580 17.484 -40.390 1.00 0.00 WAT +ATOM 17673 H1 TIP3 3788 34.131 17.982 -41.025 1.00 0.00 WAT +ATOM 17674 H2 TIP3 3788 32.897 18.144 -40.171 1.00 0.00 WAT +ATOM 17675 OH2 TIP3 3789 43.501 20.841 -30.220 1.00 0.00 WAT +ATOM 17676 H1 TIP3 3789 43.785 20.184 -30.890 1.00 0.00 WAT +ATOM 17677 H2 TIP3 3789 42.717 20.396 -29.870 1.00 0.00 WAT +ATOM 17678 OH2 TIP3 3790 40.474 16.830 -35.534 1.00 0.00 WAT +ATOM 17679 H1 TIP3 3790 39.538 16.974 -35.319 1.00 0.00 WAT +ATOM 17680 H2 TIP3 3790 40.888 17.141 -34.710 1.00 0.00 WAT +ATOM 17681 OH2 TIP3 3791 35.088 18.298 -36.897 1.00 0.00 WAT +ATOM 17682 H1 TIP3 3791 34.266 18.575 -37.342 1.00 0.00 WAT +ATOM 17683 H2 TIP3 3791 35.363 17.512 -37.403 1.00 0.00 WAT +ATOM 17684 OH2 TIP3 3792 38.717 18.652 -39.256 1.00 0.00 WAT +ATOM 17685 H1 TIP3 3792 39.671 18.813 -39.191 1.00 0.00 WAT +ATOM 17686 H2 TIP3 3792 38.429 19.250 -39.971 1.00 0.00 WAT +ATOM 17687 OH2 TIP3 3793 37.311 19.812 -41.570 1.00 0.00 WAT +ATOM 17688 H1 TIP3 3793 36.673 19.341 -42.132 1.00 0.00 WAT +ATOM 17689 H2 TIP3 3793 38.033 20.002 -42.187 1.00 0.00 WAT +ATOM 17690 OH2 TIP3 3794 35.810 24.620 -26.475 1.00 0.00 WAT +ATOM 17691 H1 TIP3 3794 36.497 24.709 -25.781 1.00 0.00 WAT +ATOM 17692 H2 TIP3 3794 35.013 24.626 -25.912 1.00 0.00 WAT +ATOM 17693 OH2 TIP3 3795 41.372 19.171 -34.144 1.00 0.00 WAT +ATOM 17694 H1 TIP3 3795 42.191 18.933 -34.596 1.00 0.00 WAT +ATOM 17695 H2 TIP3 3795 41.640 19.129 -33.210 1.00 0.00 WAT +ATOM 17696 OH2 TIP3 3796 36.844 16.035 -37.645 1.00 0.00 WAT +ATOM 17697 H1 TIP3 3796 36.272 15.272 -37.455 1.00 0.00 WAT +ATOM 17698 H2 TIP3 3796 37.669 15.616 -37.919 1.00 0.00 WAT +ATOM 17699 OH2 TIP3 3797 40.484 17.960 -31.441 1.00 0.00 WAT +ATOM 17700 H1 TIP3 3797 39.801 18.629 -31.611 1.00 0.00 WAT +ATOM 17701 H2 TIP3 3797 41.005 18.375 -30.730 1.00 0.00 WAT +ATOM 17702 OH2 TIP3 3798 40.713 24.282 -39.530 1.00 0.00 WAT +ATOM 17703 H1 TIP3 3798 39.910 23.866 -39.899 1.00 0.00 WAT +ATOM 17704 H2 TIP3 3798 40.476 24.427 -38.584 1.00 0.00 WAT +ATOM 17705 OH2 TIP3 3799 42.058 24.326 -28.325 1.00 0.00 WAT +ATOM 17706 H1 TIP3 3799 41.834 24.236 -27.396 1.00 0.00 WAT +ATOM 17707 H2 TIP3 3799 42.135 25.286 -28.446 1.00 0.00 WAT +ATOM 17708 OH2 TIP3 3800 35.774 23.846 -33.790 1.00 0.00 WAT +ATOM 17709 H1 TIP3 3800 36.348 23.758 -34.570 1.00 0.00 WAT +ATOM 17710 H2 TIP3 3800 35.910 22.993 -33.348 1.00 0.00 WAT +ATOM 17711 OH2 TIP3 3801 42.823 25.743 -40.504 1.00 0.00 WAT +ATOM 17712 H1 TIP3 3801 42.523 26.661 -40.347 1.00 0.00 WAT +ATOM 17713 H2 TIP3 3801 42.052 25.237 -40.181 1.00 0.00 WAT +ATOM 17714 OH2 TIP3 3802 33.030 22.143 -28.506 1.00 0.00 WAT +ATOM 17715 H1 TIP3 3802 33.212 21.682 -27.663 1.00 0.00 WAT +ATOM 17716 H2 TIP3 3802 32.440 21.528 -28.972 1.00 0.00 WAT +ATOM 17717 OH2 TIP3 3803 40.018 21.638 -26.498 1.00 0.00 WAT +ATOM 17718 H1 TIP3 3803 39.666 21.343 -27.356 1.00 0.00 WAT +ATOM 17719 H2 TIP3 3803 40.959 21.397 -26.587 1.00 0.00 WAT +ATOM 17720 OH2 TIP3 3804 38.136 27.154 -36.537 1.00 0.00 WAT +ATOM 17721 H1 TIP3 3804 38.563 28.017 -36.652 1.00 0.00 WAT +ATOM 17722 H2 TIP3 3804 37.215 27.378 -36.723 1.00 0.00 WAT +ATOM 17723 OH2 TIP3 3805 34.242 22.053 -41.996 1.00 0.00 WAT +ATOM 17724 H1 TIP3 3805 34.787 22.712 -41.525 1.00 0.00 WAT +ATOM 17725 H2 TIP3 3805 33.344 22.258 -41.668 1.00 0.00 WAT +ATOM 17726 OH2 TIP3 3806 39.943 24.824 -36.924 1.00 0.00 WAT +ATOM 17727 H1 TIP3 3806 39.699 25.750 -36.766 1.00 0.00 WAT +ATOM 17728 H2 TIP3 3806 39.219 24.358 -36.479 1.00 0.00 WAT +ATOM 17729 OH2 TIP3 3807 40.198 29.133 -30.501 1.00 0.00 WAT +ATOM 17730 H1 TIP3 3807 40.778 29.834 -30.867 1.00 0.00 WAT +ATOM 17731 H2 TIP3 3807 40.846 28.605 -30.013 1.00 0.00 WAT +ATOM 17732 OH2 TIP3 3808 38.557 30.047 -37.338 1.00 0.00 WAT +ATOM 17733 H1 TIP3 3808 37.584 30.129 -37.264 1.00 0.00 WAT +ATOM 17734 H2 TIP3 3808 38.855 30.936 -37.083 1.00 0.00 WAT +ATOM 17735 OH2 TIP3 3809 34.357 16.796 -28.898 1.00 0.00 WAT +ATOM 17736 H1 TIP3 3809 33.449 17.039 -29.166 1.00 0.00 WAT +ATOM 17737 H2 TIP3 3809 34.215 15.920 -28.498 1.00 0.00 WAT +ATOM 17738 OH2 TIP3 3810 34.097 28.613 -30.605 1.00 0.00 WAT +ATOM 17739 H1 TIP3 3810 34.431 27.715 -30.468 1.00 0.00 WAT +ATOM 17740 H2 TIP3 3810 34.357 29.034 -29.776 1.00 0.00 WAT +ATOM 17741 OH2 TIP3 3811 40.125 27.122 -43.331 1.00 0.00 WAT +ATOM 17742 H1 TIP3 3811 40.766 26.408 -43.484 1.00 0.00 WAT +ATOM 17743 H2 TIP3 3811 39.720 26.850 -42.482 1.00 0.00 WAT +ATOM 17744 OH2 TIP3 3812 38.831 26.656 -40.748 1.00 0.00 WAT +ATOM 17745 H1 TIP3 3812 39.312 26.179 -40.058 1.00 0.00 WAT +ATOM 17746 H2 TIP3 3812 38.984 27.588 -40.494 1.00 0.00 WAT +ATOM 17747 OH2 TIP3 3813 35.620 24.096 -40.361 1.00 0.00 WAT +ATOM 17748 H1 TIP3 3813 34.879 24.511 -39.871 1.00 0.00 WAT +ATOM 17749 H2 TIP3 3813 36.102 24.886 -40.653 1.00 0.00 WAT +ATOM 17750 OH2 TIP3 3814 43.385 17.065 -29.823 1.00 0.00 WAT +ATOM 17751 H1 TIP3 3814 43.815 16.282 -29.478 1.00 0.00 WAT +ATOM 17752 H2 TIP3 3814 42.736 16.686 -30.435 1.00 0.00 WAT +ATOM 17753 OH2 TIP3 3815 41.623 28.296 -40.277 1.00 0.00 WAT +ATOM 17754 H1 TIP3 3815 40.857 28.813 -39.986 1.00 0.00 WAT +ATOM 17755 H2 TIP3 3815 42.158 29.010 -40.669 1.00 0.00 WAT +ATOM 17756 OH2 TIP3 3816 41.394 17.913 -38.163 1.00 0.00 WAT +ATOM 17757 H1 TIP3 3816 41.983 18.652 -37.881 1.00 0.00 WAT +ATOM 17758 H2 TIP3 3816 41.004 17.725 -37.292 1.00 0.00 WAT +ATOM 17759 OH2 TIP3 3817 41.630 18.916 -28.953 1.00 0.00 WAT +ATOM 17760 H1 TIP3 3817 41.829 19.451 -28.174 1.00 0.00 WAT +ATOM 17761 H2 TIP3 3817 42.362 18.269 -28.976 1.00 0.00 WAT +ATOM 17762 OH2 TIP3 3818 41.944 15.020 -36.977 1.00 0.00 WAT +ATOM 17763 H1 TIP3 3818 41.644 15.798 -36.448 1.00 0.00 WAT +ATOM 17764 H2 TIP3 3818 42.717 15.388 -37.442 1.00 0.00 WAT +ATOM 17765 OH2 TIP3 3819 38.880 29.469 -40.257 1.00 0.00 WAT +ATOM 17766 H1 TIP3 3819 38.991 30.322 -40.723 1.00 0.00 WAT +ATOM 17767 H2 TIP3 3819 38.736 29.757 -39.336 1.00 0.00 WAT +ATOM 17768 OH2 TIP3 3820 37.700 16.164 -40.808 1.00 0.00 WAT +ATOM 17769 H1 TIP3 3820 37.611 16.879 -40.155 1.00 0.00 WAT +ATOM 17770 H2 TIP3 3820 38.439 15.652 -40.445 1.00 0.00 WAT +ATOM 17771 OH2 TIP3 3821 36.042 27.022 -41.566 1.00 0.00 WAT +ATOM 17772 H1 TIP3 3821 36.823 27.384 -41.117 1.00 0.00 WAT +ATOM 17773 H2 TIP3 3821 36.458 26.536 -42.291 1.00 0.00 WAT +ATOM 17774 OH2 TIP3 3822 34.328 19.227 -42.573 1.00 0.00 WAT +ATOM 17775 H1 TIP3 3822 34.452 20.180 -42.396 1.00 0.00 WAT +ATOM 17776 H2 TIP3 3822 33.413 19.214 -42.908 1.00 0.00 WAT +ATOM 17777 OH2 TIP3 3823 35.174 14.181 -33.710 1.00 0.00 WAT +ATOM 17778 H1 TIP3 3823 34.977 14.162 -34.668 1.00 0.00 WAT +ATOM 17779 H2 TIP3 3823 34.825 13.324 -33.401 1.00 0.00 WAT +ATOM 17780 OH2 TIP3 3824 33.956 27.648 -37.561 1.00 0.00 WAT +ATOM 17781 H1 TIP3 3824 33.337 28.258 -37.140 1.00 0.00 WAT +ATOM 17782 H2 TIP3 3824 34.610 28.259 -37.930 1.00 0.00 WAT +ATOM 17783 OH2 TIP3 3825 33.454 30.595 -26.283 1.00 0.00 WAT +ATOM 17784 H1 TIP3 3825 34.035 30.310 -25.552 1.00 0.00 WAT +ATOM 17785 H2 TIP3 3825 33.067 29.744 -26.570 1.00 0.00 WAT +ATOM 17786 OH2 TIP3 3826 38.142 29.656 -24.509 1.00 0.00 WAT +ATOM 17787 H1 TIP3 3826 38.816 28.993 -24.290 1.00 0.00 WAT +ATOM 17788 H2 TIP3 3826 37.900 29.380 -25.410 1.00 0.00 WAT +ATOM 17789 OH2 TIP3 3827 42.236 29.001 -43.379 1.00 0.00 WAT +ATOM 17790 H1 TIP3 3827 41.503 28.366 -43.287 1.00 0.00 WAT +ATOM 17791 H2 TIP3 3827 42.966 28.421 -43.631 1.00 0.00 WAT +ATOM 17792 OH2 TIP3 3828 33.393 24.196 -25.151 1.00 0.00 WAT +ATOM 17793 H1 TIP3 3828 33.507 23.309 -25.529 1.00 0.00 WAT +ATOM 17794 H2 TIP3 3828 32.644 24.526 -25.685 1.00 0.00 WAT +ATOM 17795 OH2 TIP3 3829 37.654 24.602 -43.150 1.00 0.00 WAT +ATOM 17796 H1 TIP3 3829 37.920 24.142 -42.340 1.00 0.00 WAT +ATOM 17797 H2 TIP3 3829 38.478 24.673 -43.657 1.00 0.00 WAT +ATOM 17798 OH2 TIP3 3830 40.073 24.426 -25.841 1.00 0.00 WAT +ATOM 17799 H1 TIP3 3830 39.786 24.756 -26.710 1.00 0.00 WAT +ATOM 17800 H2 TIP3 3830 40.147 23.460 -25.988 1.00 0.00 WAT +ATOM 17801 OH2 TIP3 3831 42.716 25.762 -43.504 1.00 0.00 WAT +ATOM 17802 H1 TIP3 3831 43.234 26.130 -42.755 1.00 0.00 WAT +ATOM 17803 H2 TIP3 3831 43.331 25.092 -43.826 1.00 0.00 WAT +ATOM 17804 OH2 TIP3 3832 34.261 21.334 -25.993 1.00 0.00 WAT +ATOM 17805 H1 TIP3 3832 35.015 20.718 -25.996 1.00 0.00 WAT +ATOM 17806 H2 TIP3 3832 34.231 21.573 -25.053 1.00 0.00 WAT +ATOM 17807 OH2 TIP3 3833 38.663 22.725 -40.931 1.00 0.00 WAT +ATOM 17808 H1 TIP3 3833 38.060 22.283 -40.313 1.00 0.00 WAT +ATOM 17809 H2 TIP3 3833 39.005 21.970 -41.438 1.00 0.00 WAT +ATOM 17810 OH2 TIP3 3834 37.952 20.518 -28.541 1.00 0.00 WAT +ATOM 17811 H1 TIP3 3834 37.391 21.297 -28.367 1.00 0.00 WAT +ATOM 17812 H2 TIP3 3834 38.529 20.845 -29.250 1.00 0.00 WAT +ATOM 17813 OH2 TIP3 3835 39.999 20.629 -42.689 1.00 0.00 WAT +ATOM 17814 H1 TIP3 3835 39.793 20.758 -43.626 1.00 0.00 WAT +ATOM 17815 H2 TIP3 3835 40.904 20.970 -42.597 1.00 0.00 WAT +ATOM 17816 OH2 TIP3 3836 42.830 22.979 -24.844 1.00 0.00 WAT +ATOM 17817 H1 TIP3 3836 43.532 22.674 -25.426 1.00 0.00 WAT +ATOM 17818 H2 TIP3 3836 42.667 22.169 -24.331 1.00 0.00 WAT +ATOM 17819 OH2 TIP3 3837 38.561 17.797 -27.404 1.00 0.00 WAT +ATOM 17820 H1 TIP3 3837 38.622 17.138 -28.119 1.00 0.00 WAT +ATOM 17821 H2 TIP3 3837 38.383 18.611 -27.906 1.00 0.00 WAT +ATOM 17822 OH2 TIP3 3838 38.865 16.229 -29.979 1.00 0.00 WAT +ATOM 17823 H1 TIP3 3838 39.367 16.810 -30.591 1.00 0.00 WAT +ATOM 17824 H2 TIP3 3838 37.952 16.277 -30.330 1.00 0.00 WAT +ATOM 17825 OH2 TIP3 3839 40.660 21.629 -29.663 1.00 0.00 WAT +ATOM 17826 H1 TIP3 3839 41.356 21.634 -30.331 1.00 0.00 WAT +ATOM 17827 H2 TIP3 3839 40.290 22.520 -29.783 1.00 0.00 WAT +ATOM 17828 OH2 TIP3 3840 36.730 19.609 -25.613 1.00 0.00 WAT +ATOM 17829 H1 TIP3 3840 36.203 18.789 -25.637 1.00 0.00 WAT +ATOM 17830 H2 TIP3 3840 37.540 19.332 -26.070 1.00 0.00 WAT +ATOM 17831 OH2 TIP3 3841 39.718 13.617 -29.617 1.00 0.00 WAT +ATOM 17832 H1 TIP3 3841 39.479 14.553 -29.791 1.00 0.00 WAT +ATOM 17833 H2 TIP3 3841 39.052 13.153 -30.158 1.00 0.00 WAT +ATOM 17834 OH2 TIP3 3842 41.027 18.068 -25.855 1.00 0.00 WAT +ATOM 17835 H1 TIP3 3842 40.620 17.817 -25.011 1.00 0.00 WAT +ATOM 17836 H2 TIP3 3842 40.296 17.848 -26.464 1.00 0.00 WAT +ATOM 17837 OH2 TIP3 3843 35.382 17.089 -25.794 1.00 0.00 WAT +ATOM 17838 H1 TIP3 3843 35.319 16.376 -26.451 1.00 0.00 WAT +ATOM 17839 H2 TIP3 3843 35.181 16.608 -24.968 1.00 0.00 WAT +ATOM 17840 OH2 TIP3 3844 39.449 13.090 -26.786 1.00 0.00 WAT +ATOM 17841 H1 TIP3 3844 40.030 12.318 -26.734 1.00 0.00 WAT +ATOM 17842 H2 TIP3 3844 39.420 13.240 -27.750 1.00 0.00 WAT +ATOM 17843 OH2 TIP3 3845 40.363 14.893 -24.856 1.00 0.00 WAT +ATOM 17844 H1 TIP3 3845 40.065 14.334 -25.603 1.00 0.00 WAT +ATOM 17845 H2 TIP3 3845 39.718 15.617 -24.870 1.00 0.00 WAT +ATOM 17846 OH2 TIP3 3846 39.601 31.928 -41.754 1.00 0.00 WAT +ATOM 17847 H1 TIP3 3846 40.533 32.122 -41.591 1.00 0.00 WAT +ATOM 17848 H2 TIP3 3846 39.352 32.606 -42.400 1.00 0.00 WAT +ATOM 17849 OH2 TIP3 3847 33.314 26.050 -42.001 1.00 0.00 WAT +ATOM 17850 H1 TIP3 3847 34.219 26.410 -41.944 1.00 0.00 WAT +ATOM 17851 H2 TIP3 3847 33.361 25.480 -42.779 1.00 0.00 WAT +ATOM 17852 OH2 TIP3 3848 32.507 31.359 -37.525 1.00 0.00 WAT +ATOM 17853 H1 TIP3 3848 31.584 31.120 -37.710 1.00 0.00 WAT +ATOM 17854 H2 TIP3 3848 32.629 31.050 -36.612 1.00 0.00 WAT +ATOM 17855 OH2 TIP3 3849 32.753 29.585 -35.169 1.00 0.00 WAT +ATOM 17856 H1 TIP3 3849 32.512 28.742 -34.750 1.00 0.00 WAT +ATOM 17857 H2 TIP3 3849 33.054 30.081 -34.393 1.00 0.00 WAT +ATOM 17858 OH2 TIP3 3850 32.801 22.909 -32.796 1.00 0.00 WAT +ATOM 17859 H1 TIP3 3850 33.050 22.987 -33.732 1.00 0.00 WAT +ATOM 17860 H2 TIP3 3850 33.675 22.712 -32.398 1.00 0.00 WAT +ATOM 17861 OH2 TIP3 3851 32.726 18.279 -26.376 1.00 0.00 WAT +ATOM 17862 H1 TIP3 3851 33.661 18.009 -26.366 1.00 0.00 WAT +ATOM 17863 H2 TIP3 3851 32.279 17.414 -26.332 1.00 0.00 WAT +ATOM 17864 OH2 TIP3 3852 33.488 16.614 -33.597 1.00 0.00 WAT +ATOM 17865 H1 TIP3 3852 33.945 15.759 -33.511 1.00 0.00 WAT +ATOM 17866 H2 TIP3 3852 34.168 17.220 -33.248 1.00 0.00 WAT +ATOM 17867 OH2 TIP3 3853 32.035 19.289 -32.544 1.00 0.00 WAT +ATOM 17868 H1 TIP3 3853 32.606 19.252 -33.328 1.00 0.00 WAT +ATOM 17869 H2 TIP3 3853 32.397 20.063 -32.094 1.00 0.00 WAT +ATOM 17870 OH2 TIP3 3854 32.523 15.640 -38.517 1.00 0.00 WAT +ATOM 17871 H1 TIP3 3854 31.569 15.653 -38.710 1.00 0.00 WAT +ATOM 17872 H2 TIP3 3854 32.893 16.234 -39.199 1.00 0.00 WAT +ATOM 17873 OH2 TIP3 3855 32.571 14.529 -30.333 1.00 0.00 WAT +ATOM 17874 H1 TIP3 3855 31.861 14.231 -29.750 1.00 0.00 WAT +ATOM 17875 H2 TIP3 3855 32.068 15.028 -31.003 1.00 0.00 WAT +ATOM 17876 OH2 TIP3 3856 34.556 27.572 -25.666 1.00 0.00 WAT +ATOM 17877 H1 TIP3 3856 33.828 27.592 -26.306 1.00 0.00 WAT +ATOM 17878 H2 TIP3 3856 34.091 27.572 -24.819 1.00 0.00 WAT +ATOM 17879 OH2 TIP3 3857 37.411 28.593 -29.988 1.00 0.00 WAT +ATOM 17880 H1 TIP3 3857 37.097 29.444 -30.333 1.00 0.00 WAT +ATOM 17881 H2 TIP3 3857 38.369 28.689 -30.162 1.00 0.00 WAT +ATOM 17882 OH2 TIP3 3858 42.194 30.228 -27.095 1.00 0.00 WAT +ATOM 17883 H1 TIP3 3858 42.048 29.851 -26.213 1.00 0.00 WAT +ATOM 17884 H2 TIP3 3858 43.145 30.432 -27.036 1.00 0.00 WAT +ATOM 17885 OH2 TIP3 3859 34.801 31.541 -29.610 1.00 0.00 WAT +ATOM 17886 H1 TIP3 3859 34.225 32.131 -30.128 1.00 0.00 WAT +ATOM 17887 H2 TIP3 3859 34.376 31.596 -28.747 1.00 0.00 WAT +ATOM 17888 OH2 TIP3 3860 37.377 31.393 -31.028 1.00 0.00 WAT +ATOM 17889 H1 TIP3 3860 36.487 31.515 -30.646 1.00 0.00 WAT +ATOM 17890 H2 TIP3 3860 37.306 31.899 -31.861 1.00 0.00 WAT +ATOM 17891 OH2 TIP3 3861 41.961 31.079 -31.561 1.00 0.00 WAT +ATOM 17892 H1 TIP3 3861 41.716 31.596 -32.344 1.00 0.00 WAT +ATOM 17893 H2 TIP3 3861 42.530 31.681 -31.074 1.00 0.00 WAT +ATOM 17894 OH2 TIP3 3862 34.373 30.697 -32.720 1.00 0.00 WAT +ATOM 17895 H1 TIP3 3862 34.433 30.073 -31.978 1.00 0.00 WAT +ATOM 17896 H2 TIP3 3862 35.094 30.396 -33.303 1.00 0.00 WAT +ATOM 17897 OH2 TIP3 3863 36.313 29.132 -34.231 1.00 0.00 WAT +ATOM 17898 H1 TIP3 3863 36.157 28.194 -34.005 1.00 0.00 WAT +ATOM 17899 H2 TIP3 3863 37.241 29.257 -33.969 1.00 0.00 WAT +ATOM 17900 OH2 TIP3 3864 39.135 29.603 -33.396 1.00 0.00 WAT +ATOM 17901 H1 TIP3 3864 39.326 28.682 -33.642 1.00 0.00 WAT +ATOM 17902 H2 TIP3 3864 39.196 29.550 -32.430 1.00 0.00 WAT +ATOM 17903 OH2 TIP3 3865 42.699 15.056 -34.038 1.00 0.00 WAT +ATOM 17904 H1 TIP3 3865 41.820 14.650 -33.936 1.00 0.00 WAT +ATOM 17905 H2 TIP3 3865 42.942 14.758 -34.919 1.00 0.00 WAT +ATOM 17906 OH2 TIP3 3866 34.827 14.165 -36.544 1.00 0.00 WAT +ATOM 17907 H1 TIP3 3866 33.955 14.042 -36.970 1.00 0.00 WAT +ATOM 17908 H2 TIP3 3866 35.226 13.287 -36.679 1.00 0.00 WAT +ATOM 17909 OH2 TIP3 3867 33.603 13.716 -40.816 1.00 0.00 WAT +ATOM 17910 H1 TIP3 3867 34.183 14.372 -41.265 1.00 0.00 WAT +ATOM 17911 H2 TIP3 3867 33.251 14.243 -40.080 1.00 0.00 WAT +ATOM 17912 OH2 TIP3 3868 39.328 13.972 -36.650 1.00 0.00 WAT +ATOM 17913 H1 TIP3 3868 40.246 14.294 -36.716 1.00 0.00 WAT +ATOM 17914 H2 TIP3 3868 39.245 13.895 -35.691 1.00 0.00 WAT +ATOM 17915 OH2 TIP3 3869 33.744 29.661 -39.827 1.00 0.00 WAT +ATOM 17916 H1 TIP3 3869 32.928 29.671 -40.348 1.00 0.00 WAT +ATOM 17917 H2 TIP3 3869 33.624 30.433 -39.259 1.00 0.00 WAT +ATOM 17918 OH2 TIP3 3870 35.271 15.427 -42.314 1.00 0.00 WAT +ATOM 17919 H1 TIP3 3870 35.845 14.845 -42.829 1.00 0.00 WAT +ATOM 17920 H2 TIP3 3870 35.923 15.946 -41.812 1.00 0.00 WAT +ATOM 17921 OH2 TIP3 3871 40.620 15.608 -39.653 1.00 0.00 WAT +ATOM 17922 H1 TIP3 3871 40.671 15.056 -38.858 1.00 0.00 WAT +ATOM 17923 H2 TIP3 3871 40.592 16.499 -39.260 1.00 0.00 WAT +ATOM 17924 OH2 TIP3 3872 42.614 30.680 -41.234 1.00 0.00 WAT +ATOM 17925 H1 TIP3 3872 43.171 31.458 -41.493 1.00 0.00 WAT +ATOM 17926 H2 TIP3 3872 42.437 30.313 -42.130 1.00 0.00 WAT +ATOM 17927 OH2 TIP3 3873 34.603 14.394 -26.991 1.00 0.00 WAT +ATOM 17928 H1 TIP3 3873 34.200 13.574 -26.651 1.00 0.00 WAT +ATOM 17929 H2 TIP3 3873 35.529 14.258 -26.734 1.00 0.00 WAT +ATOM 17930 OH2 TIP3 3874 36.984 13.774 -25.273 1.00 0.00 WAT +ATOM 17931 H1 TIP3 3874 37.811 13.418 -25.655 1.00 0.00 WAT +ATOM 17932 H2 TIP3 3874 36.632 12.981 -24.835 1.00 0.00 WAT +ATOM 17933 OH2 TIP3 3875 35.666 30.680 -42.311 1.00 0.00 WAT +ATOM 17934 H1 TIP3 3875 35.254 30.897 -41.464 1.00 0.00 WAT +ATOM 17935 H2 TIP3 3875 36.342 30.043 -42.060 1.00 0.00 WAT +ATOM 17936 OH2 TIP3 3876 -31.581 42.030 -36.463 1.00 0.00 WAT +ATOM 17937 H1 TIP3 3876 -31.883 42.947 -36.447 1.00 0.00 WAT +ATOM 17938 H2 TIP3 3876 -32.314 41.604 -36.931 1.00 0.00 WAT +ATOM 17939 OH2 TIP3 3877 -32.813 41.327 -33.169 1.00 0.00 WAT +ATOM 17940 H1 TIP3 3877 -32.753 40.796 -32.358 1.00 0.00 WAT +ATOM 17941 H2 TIP3 3877 -33.029 40.669 -33.838 1.00 0.00 WAT +ATOM 17942 OH2 TIP3 3878 -40.225 40.767 -31.611 1.00 0.00 WAT +ATOM 17943 H1 TIP3 3878 -40.352 40.075 -30.940 1.00 0.00 WAT +ATOM 17944 H2 TIP3 3878 -39.646 41.376 -31.137 1.00 0.00 WAT +ATOM 17945 OH2 TIP3 3879 -42.003 39.305 -38.472 1.00 0.00 WAT +ATOM 17946 H1 TIP3 3879 -42.439 40.097 -38.128 1.00 0.00 WAT +ATOM 17947 H2 TIP3 3879 -42.685 38.882 -39.013 1.00 0.00 WAT +ATOM 17948 OH2 TIP3 3880 -41.994 41.229 -35.954 1.00 0.00 WAT +ATOM 17949 H1 TIP3 3880 -41.920 40.522 -35.293 1.00 0.00 WAT +ATOM 17950 H2 TIP3 3880 -41.064 41.393 -36.134 1.00 0.00 WAT +ATOM 17951 OH2 TIP3 3881 -25.602 35.228 -31.993 1.00 0.00 WAT +ATOM 17952 H1 TIP3 3881 -25.349 35.841 -31.282 1.00 0.00 WAT +ATOM 17953 H2 TIP3 3881 -24.984 35.506 -32.696 1.00 0.00 WAT +ATOM 17954 OH2 TIP3 3882 -30.961 38.040 -32.118 1.00 0.00 WAT +ATOM 17955 H1 TIP3 3882 -30.815 37.080 -32.068 1.00 0.00 WAT +ATOM 17956 H2 TIP3 3882 -31.051 38.170 -33.073 1.00 0.00 WAT +ATOM 17957 OH2 TIP3 3883 -38.001 36.049 -35.052 1.00 0.00 WAT +ATOM 17958 H1 TIP3 3883 -37.855 36.901 -35.509 1.00 0.00 WAT +ATOM 17959 H2 TIP3 3883 -38.335 35.513 -35.800 1.00 0.00 WAT +ATOM 17960 OH2 TIP3 3884 -30.158 36.211 -36.744 1.00 0.00 WAT +ATOM 17961 H1 TIP3 3884 -29.583 35.776 -36.078 1.00 0.00 WAT +ATOM 17962 H2 TIP3 3884 -29.493 36.650 -37.294 1.00 0.00 WAT +ATOM 17963 OH2 TIP3 3885 -41.405 38.767 -34.519 1.00 0.00 WAT +ATOM 17964 H1 TIP3 3885 -40.768 38.395 -33.887 1.00 0.00 WAT +ATOM 17965 H2 TIP3 3885 -41.195 38.249 -35.316 1.00 0.00 WAT +ATOM 17966 OH2 TIP3 3886 -35.894 40.175 -35.064 1.00 0.00 WAT +ATOM 17967 H1 TIP3 3886 -35.215 39.591 -34.665 1.00 0.00 WAT +ATOM 17968 H2 TIP3 3886 -36.442 39.526 -35.544 1.00 0.00 WAT +ATOM 17969 OH2 TIP3 3887 -24.876 36.593 -29.511 1.00 0.00 WAT +ATOM 17970 H1 TIP3 3887 -25.456 37.320 -29.801 1.00 0.00 WAT +ATOM 17971 H2 TIP3 3887 -25.065 36.582 -28.563 1.00 0.00 WAT +ATOM 17972 OH2 TIP3 3888 -39.185 34.867 -30.875 1.00 0.00 WAT +ATOM 17973 H1 TIP3 3888 -39.633 35.309 -31.610 1.00 0.00 WAT +ATOM 17974 H2 TIP3 3888 -39.812 35.042 -30.145 1.00 0.00 WAT +ATOM 17975 OH2 TIP3 3889 -36.482 42.681 -31.088 1.00 0.00 WAT +ATOM 17976 H1 TIP3 3889 -37.284 43.226 -31.077 1.00 0.00 WAT +ATOM 17977 H2 TIP3 3889 -35.811 43.371 -31.188 1.00 0.00 WAT +ATOM 17978 OH2 TIP3 3890 -28.322 35.467 -34.699 1.00 0.00 WAT +ATOM 17979 H1 TIP3 3890 -28.709 34.877 -34.041 1.00 0.00 WAT +ATOM 17980 H2 TIP3 3890 -27.795 36.067 -34.141 1.00 0.00 WAT +ATOM 17981 OH2 TIP3 3891 -39.584 36.922 -32.971 1.00 0.00 WAT +ATOM 17982 H1 TIP3 3891 -38.936 37.488 -32.502 1.00 0.00 WAT +ATOM 17983 H2 TIP3 3891 -39.009 36.546 -33.674 1.00 0.00 WAT +ATOM 17984 OH2 TIP3 3892 -28.183 34.604 -30.853 1.00 0.00 WAT +ATOM 17985 H1 TIP3 3892 -28.949 35.006 -31.303 1.00 0.00 WAT +ATOM 17986 H2 TIP3 3892 -27.453 34.810 -31.468 1.00 0.00 WAT +ATOM 17987 OH2 TIP3 3893 -35.053 32.331 -33.800 1.00 0.00 WAT +ATOM 17988 H1 TIP3 3893 -35.282 31.385 -33.853 1.00 0.00 WAT +ATOM 17989 H2 TIP3 3893 -35.876 32.713 -33.428 1.00 0.00 WAT +ATOM 17990 OH2 TIP3 3894 -33.031 41.408 -39.088 1.00 0.00 WAT +ATOM 17991 H1 TIP3 3894 -33.683 41.809 -39.680 1.00 0.00 WAT +ATOM 17992 H2 TIP3 3894 -32.262 41.348 -39.678 1.00 0.00 WAT +ATOM 17993 OH2 TIP3 3895 -32.723 39.492 -42.013 1.00 0.00 WAT +ATOM 17994 H1 TIP3 3895 -32.003 39.809 -41.444 1.00 0.00 WAT +ATOM 17995 H2 TIP3 3895 -32.221 38.890 -42.605 1.00 0.00 WAT +ATOM 17996 OH2 TIP3 3896 -25.558 40.549 -30.812 1.00 0.00 WAT +ATOM 17997 H1 TIP3 3896 -26.201 41.278 -30.674 1.00 0.00 WAT +ATOM 17998 H2 TIP3 3896 -25.041 40.940 -31.546 1.00 0.00 WAT +ATOM 17999 OH2 TIP3 3897 -29.366 41.402 -38.074 1.00 0.00 WAT +ATOM 18000 H1 TIP3 3897 -30.021 41.613 -37.380 1.00 0.00 WAT +ATOM 18001 H2 TIP3 3897 -28.704 40.891 -37.571 1.00 0.00 WAT +ATOM 18002 OH2 TIP3 3898 -29.633 39.802 -29.121 1.00 0.00 WAT +ATOM 18003 H1 TIP3 3898 -29.591 40.567 -28.525 1.00 0.00 WAT +ATOM 18004 H2 TIP3 3898 -30.182 40.183 -29.830 1.00 0.00 WAT +ATOM 18005 OH2 TIP3 3899 -37.741 42.159 -36.137 1.00 0.00 WAT +ATOM 18006 H1 TIP3 3899 -38.016 41.816 -37.006 1.00 0.00 WAT +ATOM 18007 H2 TIP3 3899 -37.039 41.534 -35.889 1.00 0.00 WAT +ATOM 18008 OH2 TIP3 3900 -37.322 40.759 -32.754 1.00 0.00 WAT +ATOM 18009 H1 TIP3 3900 -36.700 40.765 -33.507 1.00 0.00 WAT +ATOM 18010 H2 TIP3 3900 -36.958 41.453 -32.165 1.00 0.00 WAT +ATOM 18011 OH2 TIP3 3901 -30.393 40.783 -40.556 1.00 0.00 WAT +ATOM 18012 H1 TIP3 3901 -29.880 41.017 -39.750 1.00 0.00 WAT +ATOM 18013 H2 TIP3 3901 -29.777 41.089 -41.260 1.00 0.00 WAT +ATOM 18014 OH2 TIP3 3902 -39.571 41.437 -28.742 1.00 0.00 WAT +ATOM 18015 H1 TIP3 3902 -39.489 42.018 -27.951 1.00 0.00 WAT +ATOM 18016 H2 TIP3 3902 -40.465 41.692 -29.035 1.00 0.00 WAT +ATOM 18017 OH2 TIP3 3903 -26.933 32.373 -40.754 1.00 0.00 WAT +ATOM 18018 H1 TIP3 3903 -27.885 32.480 -40.567 1.00 0.00 WAT +ATOM 18019 H2 TIP3 3903 -26.692 33.273 -41.021 1.00 0.00 WAT +ATOM 18020 OH2 TIP3 3904 -38.961 40.843 -38.612 1.00 0.00 WAT +ATOM 18021 H1 TIP3 3904 -39.159 41.631 -39.162 1.00 0.00 WAT +ATOM 18022 H2 TIP3 3904 -39.664 40.234 -38.885 1.00 0.00 WAT +ATOM 18023 OH2 TIP3 3905 -42.012 42.739 -29.969 1.00 0.00 WAT +ATOM 18024 H1 TIP3 3905 -42.558 43.166 -30.643 1.00 0.00 WAT +ATOM 18025 H2 TIP3 3905 -42.653 42.431 -29.305 1.00 0.00 WAT +ATOM 18026 OH2 TIP3 3906 -27.651 38.370 -26.780 1.00 0.00 WAT +ATOM 18027 H1 TIP3 3906 -28.136 38.753 -27.523 1.00 0.00 WAT +ATOM 18028 H2 TIP3 3906 -27.587 37.435 -27.055 1.00 0.00 WAT +ATOM 18029 OH2 TIP3 3907 -37.485 33.474 -32.886 1.00 0.00 WAT +ATOM 18030 H1 TIP3 3907 -38.307 33.398 -33.403 1.00 0.00 WAT +ATOM 18031 H2 TIP3 3907 -37.714 34.217 -32.306 1.00 0.00 WAT +ATOM 18032 OH2 TIP3 3908 -33.110 33.062 -29.242 1.00 0.00 WAT +ATOM 18033 H1 TIP3 3908 -32.581 32.537 -28.609 1.00 0.00 WAT +ATOM 18034 H2 TIP3 3908 -34.013 32.716 -29.115 1.00 0.00 WAT +ATOM 18035 OH2 TIP3 3909 -29.947 36.849 -28.734 1.00 0.00 WAT +ATOM 18036 H1 TIP3 3909 -30.546 36.705 -27.978 1.00 0.00 WAT +ATOM 18037 H2 TIP3 3909 -30.014 37.807 -28.895 1.00 0.00 WAT +ATOM 18038 OH2 TIP3 3910 -28.413 41.460 -42.512 1.00 0.00 WAT +ATOM 18039 H1 TIP3 3910 -28.579 41.537 -43.460 1.00 0.00 WAT +ATOM 18040 H2 TIP3 3910 -27.936 42.295 -42.332 1.00 0.00 WAT +ATOM 18041 OH2 TIP3 3911 -33.266 35.440 -42.154 1.00 0.00 WAT +ATOM 18042 H1 TIP3 3911 -33.847 35.501 -41.385 1.00 0.00 WAT +ATOM 18043 H2 TIP3 3911 -33.733 34.777 -42.678 1.00 0.00 WAT +ATOM 18044 OH2 TIP3 3912 -37.613 38.269 -31.473 1.00 0.00 WAT +ATOM 18045 H1 TIP3 3912 -38.213 38.395 -30.720 1.00 0.00 WAT +ATOM 18046 H2 TIP3 3912 -37.554 39.175 -31.848 1.00 0.00 WAT +ATOM 18047 OH2 TIP3 3913 -37.695 38.324 -36.610 1.00 0.00 WAT +ATOM 18048 H1 TIP3 3913 -38.650 38.305 -36.796 1.00 0.00 WAT +ATOM 18049 H2 TIP3 3913 -37.338 38.167 -37.508 1.00 0.00 WAT +ATOM 18050 OH2 TIP3 3914 -31.978 38.964 -37.842 1.00 0.00 WAT +ATOM 18051 H1 TIP3 3914 -32.447 39.722 -38.234 1.00 0.00 WAT +ATOM 18052 H2 TIP3 3914 -31.354 38.723 -38.552 1.00 0.00 WAT +ATOM 18053 OH2 TIP3 3915 -32.876 39.208 -26.389 1.00 0.00 WAT +ATOM 18054 H1 TIP3 3915 -33.367 38.427 -26.068 1.00 0.00 WAT +ATOM 18055 H2 TIP3 3915 -31.985 39.052 -26.022 1.00 0.00 WAT +ATOM 18056 OH2 TIP3 3916 -31.233 38.293 -35.067 1.00 0.00 WAT +ATOM 18057 H1 TIP3 3916 -31.474 38.844 -35.837 1.00 0.00 WAT +ATOM 18058 H2 TIP3 3916 -30.985 37.472 -35.540 1.00 0.00 WAT +ATOM 18059 OH2 TIP3 3917 -40.281 38.427 -29.642 1.00 0.00 WAT +ATOM 18060 H1 TIP3 3917 -39.962 38.838 -28.830 1.00 0.00 WAT +ATOM 18061 H2 TIP3 3917 -40.496 37.526 -29.346 1.00 0.00 WAT +ATOM 18062 OH2 TIP3 3918 -36.488 35.863 -43.025 1.00 0.00 WAT +ATOM 18063 H1 TIP3 3918 -36.965 35.520 -42.254 1.00 0.00 WAT +ATOM 18064 H2 TIP3 3918 -37.210 36.350 -43.480 1.00 0.00 WAT +ATOM 18065 OH2 TIP3 3919 -43.352 35.986 -36.063 1.00 0.00 WAT +ATOM 18066 H1 TIP3 3919 -43.079 35.772 -35.154 1.00 0.00 WAT +ATOM 18067 H2 TIP3 3919 -42.790 35.414 -36.602 1.00 0.00 WAT +ATOM 18068 OH2 TIP3 3920 -42.091 36.829 -40.198 1.00 0.00 WAT +ATOM 18069 H1 TIP3 3920 -41.508 36.614 -40.937 1.00 0.00 WAT +ATOM 18070 H2 TIP3 3920 -42.970 36.706 -40.574 1.00 0.00 WAT +ATOM 18071 OH2 TIP3 3921 -32.256 39.966 -30.622 1.00 0.00 WAT +ATOM 18072 H1 TIP3 3921 -31.708 39.303 -31.099 1.00 0.00 WAT +ATOM 18073 H2 TIP3 3921 -32.506 39.462 -29.834 1.00 0.00 WAT +ATOM 18074 OH2 TIP3 3922 -34.897 35.938 -35.573 1.00 0.00 WAT +ATOM 18075 H1 TIP3 3922 -35.840 35.898 -35.344 1.00 0.00 WAT +ATOM 18076 H2 TIP3 3922 -34.481 35.749 -34.714 1.00 0.00 WAT +ATOM 18077 OH2 TIP3 3923 -40.465 37.151 -36.914 1.00 0.00 WAT +ATOM 18078 H1 TIP3 3923 -41.111 37.394 -37.597 1.00 0.00 WAT +ATOM 18079 H2 TIP3 3923 -40.045 36.363 -37.304 1.00 0.00 WAT +ATOM 18080 OH2 TIP3 3924 -36.732 37.547 -39.228 1.00 0.00 WAT +ATOM 18081 H1 TIP3 3924 -35.762 37.609 -39.176 1.00 0.00 WAT +ATOM 18082 H2 TIP3 3924 -36.965 38.130 -39.972 1.00 0.00 WAT +ATOM 18083 OH2 TIP3 3925 -30.522 35.073 -32.547 1.00 0.00 WAT +ATOM 18084 H1 TIP3 3925 -31.165 35.084 -31.805 1.00 0.00 WAT +ATOM 18085 H2 TIP3 3925 -31.097 34.741 -33.258 1.00 0.00 WAT +ATOM 18086 OH2 TIP3 3926 -38.153 38.702 -41.602 1.00 0.00 WAT +ATOM 18087 H1 TIP3 3926 -38.702 38.149 -42.185 1.00 0.00 WAT +ATOM 18088 H2 TIP3 3926 -37.387 38.873 -42.169 1.00 0.00 WAT +ATOM 18089 OH2 TIP3 3927 -39.563 43.055 -26.590 1.00 0.00 WAT +ATOM 18090 H1 TIP3 3927 -38.886 43.545 -26.084 1.00 0.00 WAT +ATOM 18091 H2 TIP3 3927 -40.346 43.212 -26.025 1.00 0.00 WAT +ATOM 18092 OH2 TIP3 3928 -33.905 38.488 -33.756 1.00 0.00 WAT +ATOM 18093 H1 TIP3 3928 -33.143 38.082 -34.198 1.00 0.00 WAT +ATOM 18094 H2 TIP3 3928 -34.034 37.892 -32.992 1.00 0.00 WAT +ATOM 18095 OH2 TIP3 3929 -38.696 34.849 -37.500 1.00 0.00 WAT +ATOM 18096 H1 TIP3 3929 -39.154 33.999 -37.507 1.00 0.00 WAT +ATOM 18097 H2 TIP3 3929 -37.906 34.649 -38.024 1.00 0.00 WAT +ATOM 18098 OH2 TIP3 3930 -34.923 36.933 -31.507 1.00 0.00 WAT +ATOM 18099 H1 TIP3 3930 -35.690 37.528 -31.491 1.00 0.00 WAT +ATOM 18100 H2 TIP3 3930 -34.417 37.200 -30.715 1.00 0.00 WAT +ATOM 18101 OH2 TIP3 3931 -35.135 43.623 -39.410 1.00 0.00 WAT +ATOM 18102 H1 TIP3 3931 -35.603 42.952 -39.945 1.00 0.00 WAT +ATOM 18103 H2 TIP3 3931 -34.730 43.124 -38.697 1.00 0.00 WAT +ATOM 18104 OH2 TIP3 3932 -27.316 42.662 -30.928 1.00 0.00 WAT +ATOM 18105 H1 TIP3 3932 -27.047 43.109 -31.750 1.00 0.00 WAT +ATOM 18106 H2 TIP3 3932 -28.266 42.564 -31.126 1.00 0.00 WAT +ATOM 18107 OH2 TIP3 3933 -30.622 36.103 -41.825 1.00 0.00 WAT +ATOM 18108 H1 TIP3 3933 -31.601 36.077 -41.862 1.00 0.00 WAT +ATOM 18109 H2 TIP3 3933 -30.416 36.865 -41.253 1.00 0.00 WAT +ATOM 18110 OH2 TIP3 3934 -30.014 37.956 -39.845 1.00 0.00 WAT +ATOM 18111 H1 TIP3 3934 -29.143 37.755 -39.450 1.00 0.00 WAT +ATOM 18112 H2 TIP3 3934 -29.842 38.798 -40.300 1.00 0.00 WAT +ATOM 18113 OH2 TIP3 3935 -39.723 42.189 -34.210 1.00 0.00 WAT +ATOM 18114 H1 TIP3 3935 -38.887 42.315 -34.701 1.00 0.00 WAT +ATOM 18115 H2 TIP3 3935 -39.441 41.625 -33.470 1.00 0.00 WAT +ATOM 18116 OH2 TIP3 3936 -42.896 41.047 -28.047 1.00 0.00 WAT +ATOM 18117 H1 TIP3 3936 -42.340 40.496 -27.470 1.00 0.00 WAT +ATOM 18118 H2 TIP3 3936 -42.954 40.512 -28.870 1.00 0.00 WAT +ATOM 18119 OH2 TIP3 3937 -35.421 40.491 -26.513 1.00 0.00 WAT +ATOM 18120 H1 TIP3 3937 -35.751 40.273 -27.399 1.00 0.00 WAT +ATOM 18121 H2 TIP3 3937 -34.474 40.273 -26.605 1.00 0.00 WAT +ATOM 18122 OH2 TIP3 3938 -25.294 38.055 -39.979 1.00 0.00 WAT +ATOM 18123 H1 TIP3 3938 -25.913 37.858 -40.712 1.00 0.00 WAT +ATOM 18124 H2 TIP3 3938 -25.171 39.002 -40.172 1.00 0.00 WAT +ATOM 18125 OH2 TIP3 3939 -29.890 41.825 -32.268 1.00 0.00 WAT +ATOM 18126 H1 TIP3 3939 -30.803 41.812 -32.594 1.00 0.00 WAT +ATOM 18127 H2 TIP3 3939 -29.408 41.338 -32.955 1.00 0.00 WAT +ATOM 18128 OH2 TIP3 3940 -41.532 40.837 -41.595 1.00 0.00 WAT +ATOM 18129 H1 TIP3 3940 -40.795 41.449 -41.450 1.00 0.00 WAT +ATOM 18130 H2 TIP3 3940 -42.235 41.450 -41.864 1.00 0.00 WAT +ATOM 18131 OH2 TIP3 3941 -41.002 35.720 -28.873 1.00 0.00 WAT +ATOM 18132 H1 TIP3 3941 -41.860 36.117 -29.098 1.00 0.00 WAT +ATOM 18133 H2 TIP3 3941 -41.226 34.868 -28.458 1.00 0.00 WAT +ATOM 18134 OH2 TIP3 3942 -39.606 -43.951 -40.087 1.00 0.00 WAT +ATOM 18135 H1 TIP3 3942 -40.526 -43.610 -40.141 1.00 0.00 WAT +ATOM 18136 H2 TIP3 3942 -39.124 -43.198 -40.457 1.00 0.00 WAT +ATOM 18137 OH2 TIP3 3943 -32.109 35.490 -30.350 1.00 0.00 WAT +ATOM 18138 H1 TIP3 3943 -31.482 35.762 -29.664 1.00 0.00 WAT +ATOM 18139 H2 TIP3 3943 -32.587 34.750 -29.928 1.00 0.00 WAT +ATOM 18140 OH2 TIP3 3944 -31.504 35.033 -39.203 1.00 0.00 WAT +ATOM 18141 H1 TIP3 3944 -31.192 35.506 -39.993 1.00 0.00 WAT +ATOM 18142 H2 TIP3 3944 -30.972 35.440 -38.502 1.00 0.00 WAT +ATOM 18143 OH2 TIP3 3945 -34.056 36.962 -38.144 1.00 0.00 WAT +ATOM 18144 H1 TIP3 3945 -33.249 37.489 -37.991 1.00 0.00 WAT +ATOM 18145 H2 TIP3 3945 -34.343 36.767 -37.231 1.00 0.00 WAT +ATOM 18146 OH2 TIP3 3946 -33.666 37.906 -28.965 1.00 0.00 WAT +ATOM 18147 H1 TIP3 3946 -33.596 38.401 -28.133 1.00 0.00 WAT +ATOM 18148 H2 TIP3 3946 -33.163 37.106 -28.759 1.00 0.00 WAT +ATOM 18149 OH2 TIP3 3947 -33.421 33.957 -37.240 1.00 0.00 WAT +ATOM 18150 H1 TIP3 3947 -33.618 34.642 -36.574 1.00 0.00 WAT +ATOM 18151 H2 TIP3 3947 -32.709 34.390 -37.753 1.00 0.00 WAT +ATOM 18152 OH2 TIP3 3948 -37.722 34.957 -40.619 1.00 0.00 WAT +ATOM 18153 H1 TIP3 3948 -37.677 35.799 -40.139 1.00 0.00 WAT +ATOM 18154 H2 TIP3 3948 -36.880 34.533 -40.368 1.00 0.00 WAT +ATOM 18155 OH2 TIP3 3949 -27.413 35.840 -28.095 1.00 0.00 WAT +ATOM 18156 H1 TIP3 3949 -28.368 35.966 -28.263 1.00 0.00 WAT +ATOM 18157 H2 TIP3 3949 -27.135 35.627 -28.999 1.00 0.00 WAT +ATOM 18158 OH2 TIP3 3950 -28.883 39.672 -34.146 1.00 0.00 WAT +ATOM 18159 H1 TIP3 3950 -29.718 39.215 -34.344 1.00 0.00 WAT +ATOM 18160 H2 TIP3 3950 -28.401 39.000 -33.618 1.00 0.00 WAT +ATOM 18161 OH2 TIP3 3951 -40.972 38.229 -42.924 1.00 0.00 WAT +ATOM 18162 H1 TIP3 3951 -40.976 38.960 -42.281 1.00 0.00 WAT +ATOM 18163 H2 TIP3 3951 -41.851 37.836 -42.820 1.00 0.00 WAT +ATOM 18164 OH2 TIP3 3952 -40.280 32.962 -33.729 1.00 0.00 WAT +ATOM 18165 H1 TIP3 3952 -40.566 32.929 -34.663 1.00 0.00 WAT +ATOM 18166 H2 TIP3 3952 -40.689 32.151 -33.365 1.00 0.00 WAT +ATOM 18167 OH2 TIP3 3953 -41.991 43.458 -25.489 1.00 0.00 WAT +ATOM 18168 H1 TIP3 3953 -41.938 42.495 -25.459 1.00 0.00 WAT +ATOM 18169 H2 TIP3 3953 -42.941 43.608 -25.326 1.00 0.00 WAT +ATOM 18170 OH2 TIP3 3954 -35.875 43.286 -26.119 1.00 0.00 WAT +ATOM 18171 H1 TIP3 3954 -35.841 43.461 -27.081 1.00 0.00 WAT +ATOM 18172 H2 TIP3 3954 -35.508 42.381 -26.075 1.00 0.00 WAT +ATOM 18173 OH2 TIP3 3955 -29.851 -43.762 -28.383 1.00 0.00 WAT +ATOM 18174 H1 TIP3 3955 -29.051 -43.331 -28.715 1.00 0.00 WAT +ATOM 18175 H2 TIP3 3955 -30.519 -43.089 -28.562 1.00 0.00 WAT +ATOM 18176 OH2 TIP3 3956 -41.332 40.186 -25.850 1.00 0.00 WAT +ATOM 18177 H1 TIP3 3956 -40.516 39.665 -25.973 1.00 0.00 WAT +ATOM 18178 H2 TIP3 3956 -41.280 40.390 -24.906 1.00 0.00 WAT +ATOM 18179 OH2 TIP3 3957 -36.561 41.558 -40.818 1.00 0.00 WAT +ATOM 18180 H1 TIP3 3957 -37.302 41.219 -40.296 1.00 0.00 WAT +ATOM 18181 H2 TIP3 3957 -36.412 40.838 -41.457 1.00 0.00 WAT +ATOM 18182 OH2 TIP3 3958 -37.484 39.328 -28.544 1.00 0.00 WAT +ATOM 18183 H1 TIP3 3958 -38.052 40.100 -28.363 1.00 0.00 WAT +ATOM 18184 H2 TIP3 3958 -36.839 39.699 -29.173 1.00 0.00 WAT +ATOM 18185 OH2 TIP3 3959 -35.547 39.671 -42.779 1.00 0.00 WAT +ATOM 18186 H1 TIP3 3959 -35.485 39.422 -43.713 1.00 0.00 WAT +ATOM 18187 H2 TIP3 3959 -34.598 39.691 -42.538 1.00 0.00 WAT +ATOM 18188 OH2 TIP3 3960 -32.195 42.154 -24.997 1.00 0.00 WAT +ATOM 18189 H1 TIP3 3960 -31.312 41.968 -25.337 1.00 0.00 WAT +ATOM 18190 H2 TIP3 3960 -32.509 41.286 -24.733 1.00 0.00 WAT +ATOM 18191 OH2 TIP3 3961 -36.924 36.619 -27.409 1.00 0.00 WAT +ATOM 18192 H1 TIP3 3961 -36.834 35.972 -28.134 1.00 0.00 WAT +ATOM 18193 H2 TIP3 3961 -37.105 37.437 -27.904 1.00 0.00 WAT +ATOM 18194 OH2 TIP3 3962 -36.564 35.106 -29.963 1.00 0.00 WAT +ATOM 18195 H1 TIP3 3962 -36.043 35.624 -30.607 1.00 0.00 WAT +ATOM 18196 H2 TIP3 3962 -37.471 35.138 -30.334 1.00 0.00 WAT +ATOM 18197 OH2 TIP3 3963 -35.072 40.664 -29.661 1.00 0.00 WAT +ATOM 18198 H1 TIP3 3963 -34.226 40.542 -30.125 1.00 0.00 WAT +ATOM 18199 H2 TIP3 3963 -35.411 41.482 -30.065 1.00 0.00 WAT +ATOM 18200 OH2 TIP3 3964 -30.427 38.489 -24.780 1.00 0.00 WAT +ATOM 18201 H1 TIP3 3964 -30.213 37.550 -24.671 1.00 0.00 WAT +ATOM 18202 H2 TIP3 3964 -29.540 38.878 -24.838 1.00 0.00 WAT +ATOM 18203 OH2 TIP3 3965 -29.483 41.360 -26.438 1.00 0.00 WAT +ATOM 18204 H1 TIP3 3965 -29.708 42.080 -27.070 1.00 0.00 WAT +ATOM 18205 H2 TIP3 3965 -28.564 41.184 -26.706 1.00 0.00 WAT +ATOM 18206 OH2 TIP3 3966 -38.809 38.544 -25.651 1.00 0.00 WAT +ATOM 18207 H1 TIP3 3966 -39.311 37.709 -25.643 1.00 0.00 WAT +ATOM 18208 H2 TIP3 3966 -37.978 38.275 -26.072 1.00 0.00 WAT +ATOM 18209 OH2 TIP3 3967 -35.861 32.426 -29.609 1.00 0.00 WAT +ATOM 18210 H1 TIP3 3967 -36.023 33.379 -29.779 1.00 0.00 WAT +ATOM 18211 H2 TIP3 3967 -36.560 32.015 -30.152 1.00 0.00 WAT +ATOM 18212 OH2 TIP3 3968 -34.576 37.009 -25.833 1.00 0.00 WAT +ATOM 18213 H1 TIP3 3968 -34.919 36.811 -24.945 1.00 0.00 WAT +ATOM 18214 H2 TIP3 3968 -35.376 36.812 -26.365 1.00 0.00 WAT +ATOM 18215 OH2 TIP3 3969 -32.050 36.066 -26.957 1.00 0.00 WAT +ATOM 18216 H1 TIP3 3969 -32.929 36.114 -26.537 1.00 0.00 WAT +ATOM 18217 H2 TIP3 3969 -31.586 35.430 -26.379 1.00 0.00 WAT +ATOM 18218 OH2 TIP3 3970 -30.214 34.538 -25.239 1.00 0.00 WAT +ATOM 18219 H1 TIP3 3970 -30.356 33.585 -25.074 1.00 0.00 WAT +ATOM 18220 H2 TIP3 3970 -30.381 34.945 -24.368 1.00 0.00 WAT +ATOM 18221 OH2 TIP3 3971 -40.171 35.977 -25.800 1.00 0.00 WAT +ATOM 18222 H1 TIP3 3971 -40.159 35.245 -26.437 1.00 0.00 WAT +ATOM 18223 H2 TIP3 3971 -40.317 35.508 -24.956 1.00 0.00 WAT +ATOM 18224 OH2 TIP3 3972 -36.010 31.921 -26.800 1.00 0.00 WAT +ATOM 18225 H1 TIP3 3972 -35.415 31.155 -26.750 1.00 0.00 WAT +ATOM 18226 H2 TIP3 3972 -36.039 32.069 -27.767 1.00 0.00 WAT +ATOM 18227 OH2 TIP3 3973 -35.066 33.775 -24.936 1.00 0.00 WAT +ATOM 18228 H1 TIP3 3973 -35.359 33.191 -25.667 1.00 0.00 WAT +ATOM 18229 H2 TIP3 3973 -35.747 34.464 -24.933 1.00 0.00 WAT +ATOM 18230 OH2 TIP3 3974 -25.662 43.646 -38.913 1.00 0.00 WAT +ATOM 18231 H1 TIP3 3974 -24.719 43.638 -39.111 1.00 0.00 WAT +ATOM 18232 H2 TIP3 3974 -25.818 42.778 -38.507 1.00 0.00 WAT +ATOM 18233 OH2 TIP3 3975 -25.315 41.309 -37.328 1.00 0.00 WAT +ATOM 18234 H1 TIP3 3975 -26.082 40.867 -36.913 1.00 0.00 WAT +ATOM 18235 H2 TIP3 3975 -24.734 41.499 -36.569 1.00 0.00 WAT +ATOM 18236 OH2 TIP3 3976 -25.143 41.058 -41.057 1.00 0.00 WAT +ATOM 18237 H1 TIP3 3976 -25.758 41.385 -41.729 1.00 0.00 WAT +ATOM 18238 H2 TIP3 3976 -25.269 41.719 -40.369 1.00 0.00 WAT +ATOM 18239 OH2 TIP3 3977 -26.897 38.480 -42.120 1.00 0.00 WAT +ATOM 18240 H1 TIP3 3977 -26.628 39.198 -42.714 1.00 0.00 WAT +ATOM 18241 H2 TIP3 3977 -26.576 37.704 -42.591 1.00 0.00 WAT +ATOM 18242 OH2 TIP3 3978 -27.576 39.656 -36.576 1.00 0.00 WAT +ATOM 18243 H1 TIP3 3978 -27.600 38.696 -36.716 1.00 0.00 WAT +ATOM 18244 H2 TIP3 3978 -27.933 39.733 -35.665 1.00 0.00 WAT +ATOM 18245 OH2 TIP3 3979 -42.639 41.909 -32.744 1.00 0.00 WAT +ATOM 18246 H1 TIP3 3979 -42.257 41.879 -33.630 1.00 0.00 WAT +ATOM 18247 H2 TIP3 3979 -41.877 41.655 -32.186 1.00 0.00 WAT +ATOM 18248 OH2 TIP3 3980 -26.726 41.615 -27.341 1.00 0.00 WAT +ATOM 18249 H1 TIP3 3980 -26.000 41.003 -27.101 1.00 0.00 WAT +ATOM 18250 H2 TIP3 3980 -26.277 42.436 -27.609 1.00 0.00 WAT +ATOM 18251 OH2 TIP3 3981 -25.296 39.652 -26.195 1.00 0.00 WAT +ATOM 18252 H1 TIP3 3981 -26.098 39.117 -26.374 1.00 0.00 WAT +ATOM 18253 H2 TIP3 3981 -24.605 38.967 -26.156 1.00 0.00 WAT +ATOM 18254 OH2 TIP3 3982 -27.677 35.469 -43.226 1.00 0.00 WAT +ATOM 18255 H1 TIP3 3982 -27.082 35.023 -42.614 1.00 0.00 WAT +ATOM 18256 H2 TIP3 3982 -28.487 34.928 -43.199 1.00 0.00 WAT +ATOM 18257 OH2 TIP3 3983 -27.660 37.095 -38.356 1.00 0.00 WAT +ATOM 18258 H1 TIP3 3983 -27.395 36.151 -38.283 1.00 0.00 WAT +ATOM 18259 H2 TIP3 3983 -26.847 37.475 -38.729 1.00 0.00 WAT +ATOM 18260 OH2 TIP3 3984 -27.366 37.676 -32.889 1.00 0.00 WAT +ATOM 18261 H1 TIP3 3984 -26.394 37.793 -32.911 1.00 0.00 WAT +ATOM 18262 H2 TIP3 3984 -27.515 37.711 -31.929 1.00 0.00 WAT +ATOM 18263 OH2 TIP3 3985 -27.195 38.376 -30.054 1.00 0.00 WAT +ATOM 18264 H1 TIP3 3985 -28.059 38.762 -29.821 1.00 0.00 WAT +ATOM 18265 H2 TIP3 3985 -26.683 39.172 -30.304 1.00 0.00 WAT +ATOM 18266 OH2 TIP3 3986 -42.883 37.061 -26.538 1.00 0.00 WAT +ATOM 18267 H1 TIP3 3986 -41.988 36.693 -26.449 1.00 0.00 WAT +ATOM 18268 H2 TIP3 3986 -43.459 36.335 -26.258 1.00 0.00 WAT +ATOM 18269 OH2 TIP3 3987 -24.654 32.512 -24.783 1.00 0.00 WAT +ATOM 18270 H1 TIP3 3987 -24.224 31.835 -25.340 1.00 0.00 WAT +ATOM 18271 H2 TIP3 3987 -24.616 33.299 -25.360 1.00 0.00 WAT +ATOM 18272 OH2 TIP3 3988 -27.155 34.340 -38.307 1.00 0.00 WAT +ATOM 18273 H1 TIP3 3988 -27.009 33.971 -37.418 1.00 0.00 WAT +ATOM 18274 H2 TIP3 3988 -27.905 33.797 -38.622 1.00 0.00 WAT +ATOM 18275 OH2 TIP3 3989 -41.967 35.548 -33.236 1.00 0.00 WAT +ATOM 18276 H1 TIP3 3989 -41.598 34.656 -33.316 1.00 0.00 WAT +ATOM 18277 H2 TIP3 3989 -41.166 36.095 -33.144 1.00 0.00 WAT +ATOM 18278 OH2 TIP3 3990 -43.567 38.260 -32.640 1.00 0.00 WAT +ATOM 18279 H1 TIP3 3990 -43.116 37.650 -33.242 1.00 0.00 WAT +ATOM 18280 H2 TIP3 3990 -43.060 39.067 -32.790 1.00 0.00 WAT +ATOM 18281 OH2 TIP3 3991 -25.263 34.575 -26.527 1.00 0.00 WAT +ATOM 18282 H1 TIP3 3991 -26.140 34.999 -26.491 1.00 0.00 WAT +ATOM 18283 H2 TIP3 3991 -25.373 34.028 -27.326 1.00 0.00 WAT +ATOM 18284 OH2 TIP3 3992 -25.131 34.724 -41.756 1.00 0.00 WAT +ATOM 18285 H1 TIP3 3992 -24.852 34.008 -42.334 1.00 0.00 WAT +ATOM 18286 H2 TIP3 3992 -24.307 35.235 -41.668 1.00 0.00 WAT +ATOM 18287 OH2 TIP3 3993 -43.128 34.368 -38.733 1.00 0.00 WAT +ATOM 18288 H1 TIP3 3993 -43.860 34.363 -39.365 1.00 0.00 WAT +ATOM 18289 H2 TIP3 3993 -42.414 34.615 -39.343 1.00 0.00 WAT +ATOM 18290 OH2 TIP3 3994 -42.897 33.304 -30.560 1.00 0.00 WAT +ATOM 18291 H1 TIP3 3994 -43.581 33.186 -29.858 1.00 0.00 WAT +ATOM 18292 H2 TIP3 3994 -43.365 33.723 -31.294 1.00 0.00 WAT +ATOM 18293 OH2 TIP3 3995 -26.404 32.801 -28.542 1.00 0.00 WAT +ATOM 18294 H1 TIP3 3995 -27.196 33.008 -29.068 1.00 0.00 WAT +ATOM 18295 H2 TIP3 3995 -26.179 31.907 -28.877 1.00 0.00 WAT +ATOM 18296 OH2 TIP3 3996 -32.970 34.295 -34.090 1.00 0.00 WAT +ATOM 18297 H1 TIP3 3996 -33.659 33.617 -33.950 1.00 0.00 WAT +ATOM 18298 H2 TIP3 3996 -32.363 33.840 -34.694 1.00 0.00 WAT +ATOM 18299 OH2 TIP3 3997 -28.021 32.316 -33.630 1.00 0.00 WAT +ATOM 18300 H1 TIP3 3997 -27.257 32.762 -34.033 1.00 0.00 WAT +ATOM 18301 H2 TIP3 3997 -28.761 32.627 -34.178 1.00 0.00 WAT +ATOM 18302 OH2 TIP3 3998 -25.952 33.421 -35.776 1.00 0.00 WAT +ATOM 18303 H1 TIP3 3998 -25.218 33.002 -36.262 1.00 0.00 WAT +ATOM 18304 H2 TIP3 3998 -25.620 34.336 -35.673 1.00 0.00 WAT +ATOM 18305 OH2 TIP3 3999 -41.058 32.865 -36.488 1.00 0.00 WAT +ATOM 18306 H1 TIP3 3999 -41.763 32.707 -37.130 1.00 0.00 WAT +ATOM 18307 H2 TIP3 3999 -40.463 32.111 -36.656 1.00 0.00 WAT +ATOM 18308 OH2 TIP3 4000 -36.136 32.817 -36.648 1.00 0.00 WAT +ATOM 18309 H1 TIP3 4000 -35.233 33.143 -36.792 1.00 0.00 WAT +ATOM 18310 H2 TIP3 4000 -36.160 32.750 -35.686 1.00 0.00 WAT +ATOM 18311 OH2 TIP3 4001 -30.543 32.881 -35.241 1.00 0.00 WAT +ATOM 18312 H1 TIP3 4001 -30.297 32.743 -36.166 1.00 0.00 WAT +ATOM 18313 H2 TIP3 4001 -30.931 32.018 -35.004 1.00 0.00 WAT +ATOM 18314 OH2 TIP3 4002 -29.498 32.864 -39.194 1.00 0.00 WAT +ATOM 18315 H1 TIP3 4002 -30.282 33.339 -39.518 1.00 0.00 WAT +ATOM 18316 H2 TIP3 4002 -29.829 31.948 -39.182 1.00 0.00 WAT +ATOM 18317 OH2 TIP3 4003 -39.764 34.630 -42.674 1.00 0.00 WAT +ATOM 18318 H1 TIP3 4003 -39.912 33.679 -42.751 1.00 0.00 WAT +ATOM 18319 H2 TIP3 4003 -39.464 34.708 -41.757 1.00 0.00 WAT +ATOM 18320 OH2 TIP3 4004 -35.037 34.473 -39.588 1.00 0.00 WAT +ATOM 18321 H1 TIP3 4004 -34.637 33.936 -38.887 1.00 0.00 WAT +ATOM 18322 H2 TIP3 4004 -34.776 35.357 -39.287 1.00 0.00 WAT +ATOM 18323 OH2 TIP3 4005 -40.792 33.271 -27.028 1.00 0.00 WAT +ATOM 18324 H1 TIP3 4005 -41.245 32.513 -26.623 1.00 0.00 WAT +ATOM 18325 H2 TIP3 4005 -39.877 33.119 -26.732 1.00 0.00 WAT +ATOM 18326 OH2 TIP3 4006 -38.442 32.641 -25.270 1.00 0.00 WAT +ATOM 18327 H1 TIP3 4006 -37.618 32.290 -25.666 1.00 0.00 WAT +ATOM 18328 H2 TIP3 4006 -38.779 31.849 -24.816 1.00 0.00 WAT +ATOM 18329 OH2 TIP3 4007 -30.308 31.735 -25.097 1.00 0.00 WAT +ATOM 18330 H1 TIP3 4007 -30.263 31.331 -24.210 1.00 0.00 WAT +ATOM 18331 H2 TIP3 4007 -29.371 31.711 -25.367 1.00 0.00 WAT +ATOM 18332 OH2 TIP3 4008 -12.719 42.039 -36.468 1.00 0.00 WAT +ATOM 18333 H1 TIP3 4008 -13.035 42.951 -36.460 1.00 0.00 WAT +ATOM 18334 H2 TIP3 4008 -13.455 41.596 -36.916 1.00 0.00 WAT +ATOM 18335 OH2 TIP3 4009 -13.931 41.323 -33.172 1.00 0.00 WAT +ATOM 18336 H1 TIP3 4009 -13.900 40.795 -32.358 1.00 0.00 WAT +ATOM 18337 H2 TIP3 4009 -14.182 40.666 -33.832 1.00 0.00 WAT +ATOM 18338 OH2 TIP3 4010 -21.490 40.827 -31.562 1.00 0.00 WAT +ATOM 18339 H1 TIP3 4010 -21.509 40.068 -30.952 1.00 0.00 WAT +ATOM 18340 H2 TIP3 4010 -20.744 41.324 -31.200 1.00 0.00 WAT +ATOM 18341 OH2 TIP3 4011 -23.779 38.854 -37.620 1.00 0.00 WAT +ATOM 18342 H1 TIP3 4011 -24.221 39.717 -37.549 1.00 0.00 WAT +ATOM 18343 H2 TIP3 4011 -24.454 38.331 -38.072 1.00 0.00 WAT +ATOM 18344 OH2 TIP3 4012 -22.847 41.351 -35.777 1.00 0.00 WAT +ATOM 18345 H1 TIP3 4012 -22.852 40.550 -35.218 1.00 0.00 WAT +ATOM 18346 H2 TIP3 4012 -22.042 41.191 -36.284 1.00 0.00 WAT +ATOM 18347 OH2 TIP3 4013 -6.716 35.206 -31.985 1.00 0.00 WAT +ATOM 18348 H1 TIP3 4013 -6.511 35.849 -31.287 1.00 0.00 WAT +ATOM 18349 H2 TIP3 4013 -6.130 35.523 -32.698 1.00 0.00 WAT +ATOM 18350 OH2 TIP3 4014 -12.078 38.043 -32.116 1.00 0.00 WAT +ATOM 18351 H1 TIP3 4014 -11.978 37.078 -32.063 1.00 0.00 WAT +ATOM 18352 H2 TIP3 4014 -12.213 38.169 -33.068 1.00 0.00 WAT +ATOM 18353 OH2 TIP3 4015 -19.163 36.058 -35.040 1.00 0.00 WAT +ATOM 18354 H1 TIP3 4015 -18.988 36.896 -35.511 1.00 0.00 WAT +ATOM 18355 H2 TIP3 4015 -19.474 35.508 -35.781 1.00 0.00 WAT +ATOM 18356 OH2 TIP3 4016 -11.298 36.210 -36.757 1.00 0.00 WAT +ATOM 18357 H1 TIP3 4016 -10.740 35.764 -36.084 1.00 0.00 WAT +ATOM 18358 H2 TIP3 4016 -10.621 36.654 -37.287 1.00 0.00 WAT +ATOM 18359 OH2 TIP3 4017 -22.462 38.774 -34.530 1.00 0.00 WAT +ATOM 18360 H1 TIP3 4017 -21.819 38.308 -33.969 1.00 0.00 WAT +ATOM 18361 H2 TIP3 4017 -22.363 38.292 -35.371 1.00 0.00 WAT +ATOM 18362 OH2 TIP3 4018 -17.039 40.183 -35.055 1.00 0.00 WAT +ATOM 18363 H1 TIP3 4018 -16.361 39.596 -34.661 1.00 0.00 WAT +ATOM 18364 H2 TIP3 4018 -17.582 39.537 -35.548 1.00 0.00 WAT +ATOM 18365 OH2 TIP3 4019 -5.997 36.609 -29.497 1.00 0.00 WAT +ATOM 18366 H1 TIP3 4019 -6.583 37.323 -29.808 1.00 0.00 WAT +ATOM 18367 H2 TIP3 4019 -6.266 36.559 -28.569 1.00 0.00 WAT +ATOM 18368 OH2 TIP3 4020 -20.342 34.839 -30.880 1.00 0.00 WAT +ATOM 18369 H1 TIP3 4020 -20.745 35.335 -31.607 1.00 0.00 WAT +ATOM 18370 H2 TIP3 4020 -20.993 34.999 -30.167 1.00 0.00 WAT +ATOM 18371 OH2 TIP3 4021 -17.626 42.673 -31.114 1.00 0.00 WAT +ATOM 18372 H1 TIP3 4021 -18.436 43.203 -31.056 1.00 0.00 WAT +ATOM 18373 H2 TIP3 4021 -16.968 43.381 -31.171 1.00 0.00 WAT +ATOM 18374 OH2 TIP3 4022 -9.427 35.452 -34.703 1.00 0.00 WAT +ATOM 18375 H1 TIP3 4022 -9.881 34.882 -34.068 1.00 0.00 WAT +ATOM 18376 H2 TIP3 4022 -8.955 36.069 -34.117 1.00 0.00 WAT +ATOM 18377 OH2 TIP3 4023 -20.740 36.899 -32.949 1.00 0.00 WAT +ATOM 18378 H1 TIP3 4023 -20.084 37.454 -32.476 1.00 0.00 WAT +ATOM 18379 H2 TIP3 4023 -20.167 36.525 -33.657 1.00 0.00 WAT +ATOM 18380 OH2 TIP3 4024 -9.325 34.625 -30.849 1.00 0.00 WAT +ATOM 18381 H1 TIP3 4024 -10.104 35.009 -31.293 1.00 0.00 WAT +ATOM 18382 H2 TIP3 4024 -8.613 34.803 -31.491 1.00 0.00 WAT +ATOM 18383 OH2 TIP3 4025 -16.114 32.332 -33.681 1.00 0.00 WAT +ATOM 18384 H1 TIP3 4025 -16.365 31.426 -33.932 1.00 0.00 WAT +ATOM 18385 H2 TIP3 4025 -16.983 32.719 -33.448 1.00 0.00 WAT +ATOM 18386 OH2 TIP3 4026 -14.174 41.423 -39.090 1.00 0.00 WAT +ATOM 18387 H1 TIP3 4026 -14.834 41.792 -39.692 1.00 0.00 WAT +ATOM 18388 H2 TIP3 4026 -13.410 41.343 -39.682 1.00 0.00 WAT +ATOM 18389 OH2 TIP3 4027 -13.802 39.482 -42.056 1.00 0.00 WAT +ATOM 18390 H1 TIP3 4027 -13.066 39.759 -41.487 1.00 0.00 WAT +ATOM 18391 H2 TIP3 4027 -13.351 38.863 -42.670 1.00 0.00 WAT +ATOM 18392 OH2 TIP3 4028 -6.692 40.554 -30.810 1.00 0.00 WAT +ATOM 18393 H1 TIP3 4028 -7.345 41.274 -30.675 1.00 0.00 WAT +ATOM 18394 H2 TIP3 4028 -6.182 40.948 -31.548 1.00 0.00 WAT +ATOM 18395 OH2 TIP3 4029 -10.511 41.403 -38.074 1.00 0.00 WAT +ATOM 18396 H1 TIP3 4029 -11.171 41.613 -37.384 1.00 0.00 WAT +ATOM 18397 H2 TIP3 4029 -9.853 40.892 -37.566 1.00 0.00 WAT +ATOM 18398 OH2 TIP3 4030 -10.761 39.811 -29.123 1.00 0.00 WAT +ATOM 18399 H1 TIP3 4030 -10.753 40.579 -28.531 1.00 0.00 WAT +ATOM 18400 H2 TIP3 4030 -11.346 40.156 -29.821 1.00 0.00 WAT +ATOM 18401 OH2 TIP3 4031 -18.976 42.071 -36.112 1.00 0.00 WAT +ATOM 18402 H1 TIP3 4031 -19.180 41.788 -37.023 1.00 0.00 WAT +ATOM 18403 H2 TIP3 4031 -18.196 41.528 -35.905 1.00 0.00 WAT +ATOM 18404 OH2 TIP3 4032 -18.471 40.702 -32.714 1.00 0.00 WAT +ATOM 18405 H1 TIP3 4032 -17.867 40.726 -33.482 1.00 0.00 WAT +ATOM 18406 H2 TIP3 4032 -18.123 41.426 -32.151 1.00 0.00 WAT +ATOM 18407 OH2 TIP3 4033 -11.513 40.750 -40.559 1.00 0.00 WAT +ATOM 18408 H1 TIP3 4033 -11.018 41.014 -39.750 1.00 0.00 WAT +ATOM 18409 H2 TIP3 4033 -10.911 41.088 -41.258 1.00 0.00 WAT +ATOM 18410 OH2 TIP3 4034 -20.586 41.495 -28.857 1.00 0.00 WAT +ATOM 18411 H1 TIP3 4034 -20.474 42.115 -28.101 1.00 0.00 WAT +ATOM 18412 H2 TIP3 4034 -21.552 41.381 -28.850 1.00 0.00 WAT +ATOM 18413 OH2 TIP3 4035 -8.074 32.368 -40.748 1.00 0.00 WAT +ATOM 18414 H1 TIP3 4035 -9.034 32.454 -40.587 1.00 0.00 WAT +ATOM 18415 H2 TIP3 4035 -7.846 33.274 -41.007 1.00 0.00 WAT +ATOM 18416 OH2 TIP3 4036 -20.102 40.881 -38.597 1.00 0.00 WAT +ATOM 18417 H1 TIP3 4036 -20.291 41.661 -39.162 1.00 0.00 WAT +ATOM 18418 H2 TIP3 4036 -20.733 40.234 -38.935 1.00 0.00 WAT +ATOM 18419 OH2 TIP3 4037 -24.173 43.091 -29.821 1.00 0.00 WAT +ATOM 18420 H1 TIP3 4037 -24.119 42.920 -30.775 1.00 0.00 WAT +ATOM 18421 H2 TIP3 4037 -23.810 42.264 -29.446 1.00 0.00 WAT +ATOM 18422 OH2 TIP3 4038 -8.770 38.381 -26.790 1.00 0.00 WAT +ATOM 18423 H1 TIP3 4038 -9.306 38.751 -27.505 1.00 0.00 WAT +ATOM 18424 H2 TIP3 4038 -8.738 37.440 -27.046 1.00 0.00 WAT +ATOM 18425 OH2 TIP3 4039 -18.629 33.470 -32.855 1.00 0.00 WAT +ATOM 18426 H1 TIP3 4039 -19.412 33.428 -33.429 1.00 0.00 WAT +ATOM 18427 H2 TIP3 4039 -18.877 34.211 -32.282 1.00 0.00 WAT +ATOM 18428 OH2 TIP3 4040 -14.251 33.078 -29.238 1.00 0.00 WAT +ATOM 18429 H1 TIP3 4040 -13.729 32.546 -28.607 1.00 0.00 WAT +ATOM 18430 H2 TIP3 4040 -15.156 32.729 -29.127 1.00 0.00 WAT +ATOM 18431 OH2 TIP3 4041 -11.062 36.858 -28.696 1.00 0.00 WAT +ATOM 18432 H1 TIP3 4041 -11.704 36.699 -27.978 1.00 0.00 WAT +ATOM 18433 H2 TIP3 4041 -11.178 37.805 -28.889 1.00 0.00 WAT +ATOM 18434 OH2 TIP3 4042 -9.483 41.453 -42.517 1.00 0.00 WAT +ATOM 18435 H1 TIP3 4042 -9.917 41.662 -43.372 1.00 0.00 WAT +ATOM 18436 H2 TIP3 4042 -9.022 42.296 -42.341 1.00 0.00 WAT +ATOM 18437 OH2 TIP3 4043 -14.402 35.433 -42.164 1.00 0.00 WAT +ATOM 18438 H1 TIP3 4043 -14.969 35.554 -41.392 1.00 0.00 WAT +ATOM 18439 H2 TIP3 4043 -14.843 34.687 -42.588 1.00 0.00 WAT +ATOM 18440 OH2 TIP3 4044 -18.763 38.243 -31.460 1.00 0.00 WAT +ATOM 18441 H1 TIP3 4044 -19.350 38.380 -30.698 1.00 0.00 WAT +ATOM 18442 H2 TIP3 4044 -18.681 39.150 -31.829 1.00 0.00 WAT +ATOM 18443 OH2 TIP3 4045 -18.820 38.362 -36.611 1.00 0.00 WAT +ATOM 18444 H1 TIP3 4045 -19.774 38.245 -36.774 1.00 0.00 WAT +ATOM 18445 H2 TIP3 4045 -18.465 38.155 -37.500 1.00 0.00 WAT +ATOM 18446 OH2 TIP3 4046 -13.106 38.975 -37.836 1.00 0.00 WAT +ATOM 18447 H1 TIP3 4046 -13.604 39.717 -38.223 1.00 0.00 WAT +ATOM 18448 H2 TIP3 4046 -12.514 38.725 -38.566 1.00 0.00 WAT +ATOM 18449 OH2 TIP3 4047 -14.019 39.204 -26.393 1.00 0.00 WAT +ATOM 18450 H1 TIP3 4047 -14.521 38.430 -26.069 1.00 0.00 WAT +ATOM 18451 H2 TIP3 4047 -13.134 39.044 -26.011 1.00 0.00 WAT +ATOM 18452 OH2 TIP3 4048 -12.352 38.303 -35.070 1.00 0.00 WAT +ATOM 18453 H1 TIP3 4048 -12.617 38.845 -35.839 1.00 0.00 WAT +ATOM 18454 H2 TIP3 4048 -12.142 37.469 -35.535 1.00 0.00 WAT +ATOM 18455 OH2 TIP3 4049 -21.400 38.422 -29.676 1.00 0.00 WAT +ATOM 18456 H1 TIP3 4049 -21.131 38.769 -28.817 1.00 0.00 WAT +ATOM 18457 H2 TIP3 4049 -21.729 37.538 -29.437 1.00 0.00 WAT +ATOM 18458 OH2 TIP3 4050 -17.719 35.787 -43.141 1.00 0.00 WAT +ATOM 18459 H1 TIP3 4050 -18.063 35.605 -42.244 1.00 0.00 WAT +ATOM 18460 H2 TIP3 4050 -18.443 36.322 -43.515 1.00 0.00 WAT +ATOM 18461 OH2 TIP3 4051 -24.576 35.899 -36.005 1.00 0.00 WAT +ATOM 18462 H1 TIP3 4051 -23.958 35.879 -35.250 1.00 0.00 WAT +ATOM 18463 H2 TIP3 4051 -24.063 35.508 -36.729 1.00 0.00 WAT +ATOM 18464 OH2 TIP3 4052 -23.014 36.329 -40.403 1.00 0.00 WAT +ATOM 18465 H1 TIP3 4052 -22.429 36.819 -41.015 1.00 0.00 WAT +ATOM 18466 H2 TIP3 4052 -23.674 37.008 -40.180 1.00 0.00 WAT +ATOM 18467 OH2 TIP3 4053 -13.371 39.966 -30.602 1.00 0.00 WAT +ATOM 18468 H1 TIP3 4053 -12.849 39.294 -31.093 1.00 0.00 WAT +ATOM 18469 H2 TIP3 4053 -13.682 39.440 -29.847 1.00 0.00 WAT +ATOM 18470 OH2 TIP3 4054 -16.032 36.003 -35.581 1.00 0.00 WAT +ATOM 18471 H1 TIP3 4054 -16.968 35.827 -35.388 1.00 0.00 WAT +ATOM 18472 H2 TIP3 4054 -15.607 35.688 -34.765 1.00 0.00 WAT +ATOM 18473 OH2 TIP3 4055 -21.480 37.151 -36.897 1.00 0.00 WAT +ATOM 18474 H1 TIP3 4055 -22.292 37.405 -37.366 1.00 0.00 WAT +ATOM 18475 H2 TIP3 4055 -21.175 36.361 -37.384 1.00 0.00 WAT +ATOM 18476 OH2 TIP3 4056 -17.871 37.585 -39.204 1.00 0.00 WAT +ATOM 18477 H1 TIP3 4056 -16.900 37.587 -39.168 1.00 0.00 WAT +ATOM 18478 H2 TIP3 4056 -18.082 38.127 -39.984 1.00 0.00 WAT +ATOM 18479 OH2 TIP3 4057 -11.670 35.069 -32.565 1.00 0.00 WAT +ATOM 18480 H1 TIP3 4057 -12.309 35.079 -31.819 1.00 0.00 WAT +ATOM 18481 H2 TIP3 4057 -12.250 34.726 -33.269 1.00 0.00 WAT +ATOM 18482 OH2 TIP3 4058 -19.283 38.675 -41.581 1.00 0.00 WAT +ATOM 18483 H1 TIP3 4058 -19.917 38.224 -42.160 1.00 0.00 WAT +ATOM 18484 H2 TIP3 4058 -18.551 38.893 -42.178 1.00 0.00 WAT +ATOM 18485 OH2 TIP3 4059 -20.471 43.171 -26.780 1.00 0.00 WAT +ATOM 18486 H1 TIP3 4059 -19.905 43.631 -26.129 1.00 0.00 WAT +ATOM 18487 H2 TIP3 4059 -21.280 43.039 -26.239 1.00 0.00 WAT +ATOM 18488 OH2 TIP3 4060 -15.026 38.514 -33.733 1.00 0.00 WAT +ATOM 18489 H1 TIP3 4060 -14.325 38.048 -34.212 1.00 0.00 WAT +ATOM 18490 H2 TIP3 4060 -15.204 37.895 -32.996 1.00 0.00 WAT +ATOM 18491 OH2 TIP3 4061 -19.750 34.875 -37.661 1.00 0.00 WAT +ATOM 18492 H1 TIP3 4061 -20.257 34.076 -37.438 1.00 0.00 WAT +ATOM 18493 H2 TIP3 4061 -18.879 34.500 -37.869 1.00 0.00 WAT +ATOM 18494 OH2 TIP3 4062 -16.049 36.955 -31.514 1.00 0.00 WAT +ATOM 18495 H1 TIP3 4062 -16.841 37.517 -31.486 1.00 0.00 WAT +ATOM 18496 H2 TIP3 4062 -15.561 37.214 -30.710 1.00 0.00 WAT +ATOM 18497 OH2 TIP3 4063 -16.306 43.635 -39.388 1.00 0.00 WAT +ATOM 18498 H1 TIP3 4063 -16.739 42.964 -39.949 1.00 0.00 WAT +ATOM 18499 H2 TIP3 4063 -15.843 43.130 -38.715 1.00 0.00 WAT +ATOM 18500 OH2 TIP3 4064 -8.456 42.668 -30.929 1.00 0.00 WAT +ATOM 18501 H1 TIP3 4064 -8.202 43.108 -31.761 1.00 0.00 WAT +ATOM 18502 H2 TIP3 4064 -9.407 42.557 -31.117 1.00 0.00 WAT +ATOM 18503 OH2 TIP3 4065 -11.722 36.187 -42.083 1.00 0.00 WAT +ATOM 18504 H1 TIP3 4065 -12.681 36.025 -41.945 1.00 0.00 WAT +ATOM 18505 H2 TIP3 4065 -11.493 36.812 -41.368 1.00 0.00 WAT +ATOM 18506 OH2 TIP3 4066 -11.145 37.891 -39.912 1.00 0.00 WAT +ATOM 18507 H1 TIP3 4066 -10.293 37.737 -39.456 1.00 0.00 WAT +ATOM 18508 H2 TIP3 4066 -11.007 38.775 -40.298 1.00 0.00 WAT +ATOM 18509 OH2 TIP3 4067 -20.518 42.483 -33.918 1.00 0.00 WAT +ATOM 18510 H1 TIP3 4067 -19.909 42.391 -34.682 1.00 0.00 WAT +ATOM 18511 H2 TIP3 4067 -20.384 41.634 -33.469 1.00 0.00 WAT +ATOM 18512 OH2 TIP3 4068 -23.448 40.813 -28.548 1.00 0.00 WAT +ATOM 18513 H1 TIP3 4068 -23.341 40.425 -27.658 1.00 0.00 WAT +ATOM 18514 H2 TIP3 4068 -24.178 40.296 -28.927 1.00 0.00 WAT +ATOM 18515 OH2 TIP3 4069 -16.561 40.515 -26.528 1.00 0.00 WAT +ATOM 18516 H1 TIP3 4069 -16.895 40.265 -27.405 1.00 0.00 WAT +ATOM 18517 H2 TIP3 4069 -15.621 40.269 -26.605 1.00 0.00 WAT +ATOM 18518 OH2 TIP3 4070 -6.443 38.054 -39.994 1.00 0.00 WAT +ATOM 18519 H1 TIP3 4070 -7.069 37.873 -40.723 1.00 0.00 WAT +ATOM 18520 H2 TIP3 4070 -6.309 39.004 -40.169 1.00 0.00 WAT +ATOM 18521 OH2 TIP3 4071 -11.028 41.844 -32.284 1.00 0.00 WAT +ATOM 18522 H1 TIP3 4071 -11.951 41.806 -32.583 1.00 0.00 WAT +ATOM 18523 H2 TIP3 4071 -10.563 41.325 -32.959 1.00 0.00 WAT +ATOM 18524 OH2 TIP3 4072 -22.339 40.839 -41.963 1.00 0.00 WAT +ATOM 18525 H1 TIP3 4072 -21.793 41.537 -41.575 1.00 0.00 WAT +ATOM 18526 H2 TIP3 4072 -23.244 41.106 -41.711 1.00 0.00 WAT +ATOM 18527 OH2 TIP3 4073 -22.216 35.659 -28.893 1.00 0.00 WAT +ATOM 18528 H1 TIP3 4073 -23.124 35.894 -29.165 1.00 0.00 WAT +ATOM 18529 H2 TIP3 4073 -22.350 34.784 -28.488 1.00 0.00 WAT +ATOM 18530 OH2 TIP3 4074 -20.768 -43.933 -40.089 1.00 0.00 WAT +ATOM 18531 H1 TIP3 4074 -21.669 -43.555 -40.046 1.00 0.00 WAT +ATOM 18532 H2 TIP3 4074 -20.272 -43.176 -40.433 1.00 0.00 WAT +ATOM 18533 OH2 TIP3 4075 -13.236 35.485 -30.355 1.00 0.00 WAT +ATOM 18534 H1 TIP3 4075 -12.639 35.749 -29.642 1.00 0.00 WAT +ATOM 18535 H2 TIP3 4075 -13.743 34.753 -29.949 1.00 0.00 WAT +ATOM 18536 OH2 TIP3 4076 -12.578 35.024 -39.237 1.00 0.00 WAT +ATOM 18537 H1 TIP3 4076 -12.331 35.647 -39.931 1.00 0.00 WAT +ATOM 18538 H2 TIP3 4076 -12.174 35.425 -38.453 1.00 0.00 WAT +ATOM 18539 OH2 TIP3 4077 -15.189 36.945 -38.148 1.00 0.00 WAT +ATOM 18540 H1 TIP3 4077 -14.395 37.475 -37.960 1.00 0.00 WAT +ATOM 18541 H2 TIP3 4077 -15.497 36.724 -37.245 1.00 0.00 WAT +ATOM 18542 OH2 TIP3 4078 -14.758 37.936 -28.985 1.00 0.00 WAT +ATOM 18543 H1 TIP3 4078 -14.747 38.397 -28.130 1.00 0.00 WAT +ATOM 18544 H2 TIP3 4078 -14.326 37.102 -28.755 1.00 0.00 WAT +ATOM 18545 OH2 TIP3 4079 -14.519 33.800 -37.219 1.00 0.00 WAT +ATOM 18546 H1 TIP3 4079 -14.779 34.502 -36.604 1.00 0.00 WAT +ATOM 18547 H2 TIP3 4079 -13.857 34.226 -37.786 1.00 0.00 WAT +ATOM 18548 OH2 TIP3 4080 -18.863 35.024 -40.793 1.00 0.00 WAT +ATOM 18549 H1 TIP3 4080 -18.953 35.721 -40.122 1.00 0.00 WAT +ATOM 18550 H2 TIP3 4080 -18.118 34.512 -40.423 1.00 0.00 WAT +ATOM 18551 OH2 TIP3 4081 -8.539 35.831 -28.108 1.00 0.00 WAT +ATOM 18552 H1 TIP3 4081 -9.500 35.971 -28.231 1.00 0.00 WAT +ATOM 18553 H2 TIP3 4081 -8.313 35.621 -29.026 1.00 0.00 WAT +ATOM 18554 OH2 TIP3 4082 -10.020 39.671 -34.147 1.00 0.00 WAT +ATOM 18555 H1 TIP3 4082 -10.864 39.227 -34.343 1.00 0.00 WAT +ATOM 18556 H2 TIP3 4082 -9.554 38.992 -33.615 1.00 0.00 WAT +ATOM 18557 OH2 TIP3 4083 -22.220 38.059 -42.588 1.00 0.00 WAT +ATOM 18558 H1 TIP3 4083 -22.096 39.014 -42.413 1.00 0.00 WAT +ATOM 18559 H2 TIP3 4083 -23.139 38.047 -42.907 1.00 0.00 WAT +ATOM 18560 OH2 TIP3 4084 -21.460 33.064 -33.711 1.00 0.00 WAT +ATOM 18561 H1 TIP3 4084 -21.558 33.001 -34.684 1.00 0.00 WAT +ATOM 18562 H2 TIP3 4084 -21.747 32.182 -33.414 1.00 0.00 WAT +ATOM 18563 OH2 TIP3 4085 -22.922 43.074 -25.658 1.00 0.00 WAT +ATOM 18564 H1 TIP3 4085 -23.123 42.121 -25.605 1.00 0.00 WAT +ATOM 18565 H2 TIP3 4085 -23.747 43.482 -25.932 1.00 0.00 WAT +ATOM 18566 OH2 TIP3 4086 -17.011 43.292 -26.113 1.00 0.00 WAT +ATOM 18567 H1 TIP3 4086 -16.995 43.454 -27.077 1.00 0.00 WAT +ATOM 18568 H2 TIP3 4086 -16.667 42.377 -26.070 1.00 0.00 WAT +ATOM 18569 OH2 TIP3 4087 -10.994 -43.761 -28.380 1.00 0.00 WAT +ATOM 18570 H1 TIP3 4087 -10.204 -43.319 -28.718 1.00 0.00 WAT +ATOM 18571 H2 TIP3 4087 -11.677 -43.106 -28.566 1.00 0.00 WAT +ATOM 18572 OH2 TIP3 4088 -22.336 40.234 -25.934 1.00 0.00 WAT +ATOM 18573 H1 TIP3 4088 -21.550 39.662 -26.003 1.00 0.00 WAT +ATOM 18574 H2 TIP3 4088 -22.322 40.444 -24.982 1.00 0.00 WAT +ATOM 18575 OH2 TIP3 4089 -17.715 41.555 -40.825 1.00 0.00 WAT +ATOM 18576 H1 TIP3 4089 -18.428 41.200 -40.278 1.00 0.00 WAT +ATOM 18577 H2 TIP3 4089 -17.582 40.842 -41.474 1.00 0.00 WAT +ATOM 18578 OH2 TIP3 4090 -18.612 39.328 -28.554 1.00 0.00 WAT +ATOM 18579 H1 TIP3 4090 -19.169 40.101 -28.352 1.00 0.00 WAT +ATOM 18580 H2 TIP3 4090 -17.972 39.706 -29.182 1.00 0.00 WAT +ATOM 18581 OH2 TIP3 4091 -16.651 39.555 -42.737 1.00 0.00 WAT +ATOM 18582 H1 TIP3 4091 -16.701 39.544 -43.703 1.00 0.00 WAT +ATOM 18583 H2 TIP3 4091 -15.691 39.656 -42.592 1.00 0.00 WAT +ATOM 18584 OH2 TIP3 4092 -13.321 42.163 -24.999 1.00 0.00 WAT +ATOM 18585 H1 TIP3 4092 -12.452 41.930 -25.341 1.00 0.00 WAT +ATOM 18586 H2 TIP3 4092 -13.671 41.314 -24.710 1.00 0.00 WAT +ATOM 18587 OH2 TIP3 4093 -18.080 36.627 -27.431 1.00 0.00 WAT +ATOM 18588 H1 TIP3 4093 -17.989 35.973 -28.149 1.00 0.00 WAT +ATOM 18589 H2 TIP3 4093 -18.271 37.442 -27.926 1.00 0.00 WAT +ATOM 18590 OH2 TIP3 4094 -17.711 35.112 -29.970 1.00 0.00 WAT +ATOM 18591 H1 TIP3 4094 -17.190 35.614 -30.625 1.00 0.00 WAT +ATOM 18592 H2 TIP3 4094 -18.618 35.136 -30.338 1.00 0.00 WAT +ATOM 18593 OH2 TIP3 4095 -16.223 40.665 -29.665 1.00 0.00 WAT +ATOM 18594 H1 TIP3 4095 -15.377 40.540 -30.126 1.00 0.00 WAT +ATOM 18595 H2 TIP3 4095 -16.560 41.484 -30.068 1.00 0.00 WAT +ATOM 18596 OH2 TIP3 4096 -11.566 38.499 -24.819 1.00 0.00 WAT +ATOM 18597 H1 TIP3 4096 -11.415 37.563 -24.604 1.00 0.00 WAT +ATOM 18598 H2 TIP3 4096 -10.661 38.843 -24.833 1.00 0.00 WAT +ATOM 18599 OH2 TIP3 4097 -10.617 41.374 -26.424 1.00 0.00 WAT +ATOM 18600 H1 TIP3 4097 -10.857 42.081 -27.065 1.00 0.00 WAT +ATOM 18601 H2 TIP3 4097 -9.718 41.165 -26.729 1.00 0.00 WAT +ATOM 18602 OH2 TIP3 4098 -19.928 38.529 -25.675 1.00 0.00 WAT +ATOM 18603 H1 TIP3 4098 -20.402 37.680 -25.623 1.00 0.00 WAT +ATOM 18604 H2 TIP3 4098 -19.068 38.245 -26.025 1.00 0.00 WAT +ATOM 18605 OH2 TIP3 4099 -16.994 32.438 -29.604 1.00 0.00 WAT +ATOM 18606 H1 TIP3 4099 -17.163 33.388 -29.778 1.00 0.00 WAT +ATOM 18607 H2 TIP3 4099 -17.680 32.020 -30.159 1.00 0.00 WAT +ATOM 18608 OH2 TIP3 4100 -15.734 37.011 -25.870 1.00 0.00 WAT +ATOM 18609 H1 TIP3 4100 -16.034 36.763 -24.977 1.00 0.00 WAT +ATOM 18610 H2 TIP3 4100 -16.546 36.781 -26.369 1.00 0.00 WAT +ATOM 18611 OH2 TIP3 4101 -13.194 36.070 -26.957 1.00 0.00 WAT +ATOM 18612 H1 TIP3 4101 -14.081 36.127 -26.552 1.00 0.00 WAT +ATOM 18613 H2 TIP3 4101 -12.754 35.432 -26.368 1.00 0.00 WAT +ATOM 18614 OH2 TIP3 4102 -11.273 34.514 -25.203 1.00 0.00 WAT +ATOM 18615 H1 TIP3 4102 -11.529 33.584 -25.051 1.00 0.00 WAT +ATOM 18616 H2 TIP3 4102 -11.547 34.957 -24.377 1.00 0.00 WAT +ATOM 18617 OH2 TIP3 4103 -21.193 35.937 -25.762 1.00 0.00 WAT +ATOM 18618 H1 TIP3 4103 -21.237 35.233 -26.428 1.00 0.00 WAT +ATOM 18619 H2 TIP3 4103 -21.393 35.450 -24.941 1.00 0.00 WAT +ATOM 18620 OH2 TIP3 4104 -17.200 31.923 -26.786 1.00 0.00 WAT +ATOM 18621 H1 TIP3 4104 -16.558 31.201 -26.737 1.00 0.00 WAT +ATOM 18622 H2 TIP3 4104 -17.182 32.119 -27.744 1.00 0.00 WAT +ATOM 18623 OH2 TIP3 4105 -16.120 33.798 -24.864 1.00 0.00 WAT +ATOM 18624 H1 TIP3 4105 -16.502 33.098 -25.421 1.00 0.00 WAT +ATOM 18625 H2 TIP3 4105 -16.902 34.280 -24.572 1.00 0.00 WAT +ATOM 18626 OH2 TIP3 4106 -6.797 43.686 -38.845 1.00 0.00 WAT +ATOM 18627 H1 TIP3 4106 -5.877 43.640 -39.130 1.00 0.00 WAT +ATOM 18628 H2 TIP3 4106 -6.984 42.788 -38.532 1.00 0.00 WAT +ATOM 18629 OH2 TIP3 4107 -6.449 41.285 -37.329 1.00 0.00 WAT +ATOM 18630 H1 TIP3 4107 -7.225 40.862 -36.909 1.00 0.00 WAT +ATOM 18631 H2 TIP3 4107 -5.878 41.501 -36.569 1.00 0.00 WAT +ATOM 18632 OH2 TIP3 4108 -6.300 41.043 -41.063 1.00 0.00 WAT +ATOM 18633 H1 TIP3 4108 -6.917 41.374 -41.734 1.00 0.00 WAT +ATOM 18634 H2 TIP3 4108 -6.415 41.714 -40.383 1.00 0.00 WAT +ATOM 18635 OH2 TIP3 4109 -8.065 38.430 -42.163 1.00 0.00 WAT +ATOM 18636 H1 TIP3 4109 -7.808 39.215 -42.678 1.00 0.00 WAT +ATOM 18637 H2 TIP3 4109 -7.638 37.719 -42.650 1.00 0.00 WAT +ATOM 18638 OH2 TIP3 4110 -8.715 39.651 -36.573 1.00 0.00 WAT +ATOM 18639 H1 TIP3 4110 -8.754 38.692 -36.711 1.00 0.00 WAT +ATOM 18640 H2 TIP3 4110 -9.079 39.733 -35.665 1.00 0.00 WAT +ATOM 18641 OH2 TIP3 4111 -23.844 41.895 -32.594 1.00 0.00 WAT +ATOM 18642 H1 TIP3 4111 -23.749 42.015 -33.551 1.00 0.00 WAT +ATOM 18643 H2 TIP3 4111 -22.944 41.599 -32.338 1.00 0.00 WAT +ATOM 18644 OH2 TIP3 4112 -7.858 41.614 -27.362 1.00 0.00 WAT +ATOM 18645 H1 TIP3 4112 -7.141 41.002 -27.095 1.00 0.00 WAT +ATOM 18646 H2 TIP3 4112 -7.404 42.441 -27.597 1.00 0.00 WAT +ATOM 18647 OH2 TIP3 4113 -6.430 39.654 -26.205 1.00 0.00 WAT +ATOM 18648 H1 TIP3 4113 -7.245 39.135 -26.379 1.00 0.00 WAT +ATOM 18649 H2 TIP3 4113 -5.757 38.952 -26.161 1.00 0.00 WAT +ATOM 18650 OH2 TIP3 4114 -8.840 35.276 -43.341 1.00 0.00 WAT +ATOM 18651 H1 TIP3 4114 -8.218 35.069 -42.636 1.00 0.00 WAT +ATOM 18652 H2 TIP3 4114 -9.691 34.946 -43.021 1.00 0.00 WAT +ATOM 18653 OH2 TIP3 4115 -8.806 37.093 -38.361 1.00 0.00 WAT +ATOM 18654 H1 TIP3 4115 -8.538 36.151 -38.280 1.00 0.00 WAT +ATOM 18655 H2 TIP3 4115 -7.992 37.478 -38.727 1.00 0.00 WAT +ATOM 18656 OH2 TIP3 4116 -8.504 37.659 -32.891 1.00 0.00 WAT +ATOM 18657 H1 TIP3 4116 -7.535 37.798 -32.901 1.00 0.00 WAT +ATOM 18658 H2 TIP3 4116 -8.672 37.710 -31.934 1.00 0.00 WAT +ATOM 18659 OH2 TIP3 4117 -8.330 38.368 -30.068 1.00 0.00 WAT +ATOM 18660 H1 TIP3 4117 -9.197 38.736 -29.814 1.00 0.00 WAT +ATOM 18661 H2 TIP3 4117 -7.833 39.179 -30.300 1.00 0.00 WAT +ATOM 18662 OH2 TIP3 4118 -23.870 37.156 -26.391 1.00 0.00 WAT +ATOM 18663 H1 TIP3 4118 -22.929 36.913 -26.357 1.00 0.00 WAT +ATOM 18664 H2 TIP3 4118 -24.296 36.284 -26.318 1.00 0.00 WAT +ATOM 18665 OH2 TIP3 4119 -5.739 32.541 -24.761 1.00 0.00 WAT +ATOM 18666 H1 TIP3 4119 -5.387 31.841 -25.341 1.00 0.00 WAT +ATOM 18667 H2 TIP3 4119 -5.758 33.309 -25.364 1.00 0.00 WAT +ATOM 18668 OH2 TIP3 4120 -8.285 34.327 -38.307 1.00 0.00 WAT +ATOM 18669 H1 TIP3 4120 -8.209 33.984 -37.400 1.00 0.00 WAT +ATOM 18670 H2 TIP3 4120 -9.039 33.801 -38.646 1.00 0.00 WAT +ATOM 18671 OH2 TIP3 4121 -23.092 35.472 -33.580 1.00 0.00 WAT +ATOM 18672 H1 TIP3 4121 -22.628 34.615 -33.535 1.00 0.00 WAT +ATOM 18673 H2 TIP3 4121 -22.394 36.070 -33.251 1.00 0.00 WAT +ATOM 18674 OH2 TIP3 4122 -24.548 38.155 -32.536 1.00 0.00 WAT +ATOM 18675 H1 TIP3 4122 -23.944 38.103 -33.295 1.00 0.00 WAT +ATOM 18676 H2 TIP3 4122 -24.203 38.931 -32.076 1.00 0.00 WAT +ATOM 18677 OH2 TIP3 4123 -6.406 34.564 -26.527 1.00 0.00 WAT +ATOM 18678 H1 TIP3 4123 -7.279 34.996 -26.465 1.00 0.00 WAT +ATOM 18679 H2 TIP3 4123 -6.543 34.028 -27.330 1.00 0.00 WAT +ATOM 18680 OH2 TIP3 4124 -6.276 34.742 -41.766 1.00 0.00 WAT +ATOM 18681 H1 TIP3 4124 -5.978 34.026 -42.334 1.00 0.00 WAT +ATOM 18682 H2 TIP3 4124 -5.459 35.261 -41.662 1.00 0.00 WAT +ATOM 18683 OH2 TIP3 4125 -24.041 34.496 -38.523 1.00 0.00 WAT +ATOM 18684 H1 TIP3 4125 -24.993 34.521 -38.719 1.00 0.00 WAT +ATOM 18685 H2 TIP3 4125 -23.659 35.089 -39.198 1.00 0.00 WAT +ATOM 18686 OH2 TIP3 4126 -23.999 33.378 -30.333 1.00 0.00 WAT +ATOM 18687 H1 TIP3 4126 -24.713 33.102 -29.744 1.00 0.00 WAT +ATOM 18688 H2 TIP3 4126 -24.489 33.891 -31.001 1.00 0.00 WAT +ATOM 18689 OH2 TIP3 4127 -7.523 32.812 -28.558 1.00 0.00 WAT +ATOM 18690 H1 TIP3 4127 -8.336 33.023 -29.051 1.00 0.00 WAT +ATOM 18691 H2 TIP3 4127 -7.332 31.910 -28.889 1.00 0.00 WAT +ATOM 18692 OH2 TIP3 4128 -14.096 34.298 -34.134 1.00 0.00 WAT +ATOM 18693 H1 TIP3 4128 -14.789 33.631 -33.950 1.00 0.00 WAT +ATOM 18694 H2 TIP3 4128 -13.526 33.809 -34.747 1.00 0.00 WAT +ATOM 18695 OH2 TIP3 4129 -9.156 32.298 -33.631 1.00 0.00 WAT +ATOM 18696 H1 TIP3 4129 -8.427 32.782 -34.055 1.00 0.00 WAT +ATOM 18697 H2 TIP3 4129 -9.931 32.589 -34.147 1.00 0.00 WAT +ATOM 18698 OH2 TIP3 4130 -7.060 33.403 -35.748 1.00 0.00 WAT +ATOM 18699 H1 TIP3 4130 -6.352 33.045 -36.306 1.00 0.00 WAT +ATOM 18700 H2 TIP3 4130 -6.781 34.336 -35.649 1.00 0.00 WAT +ATOM 18701 OH2 TIP3 4131 -21.698 32.924 -36.520 1.00 0.00 WAT +ATOM 18702 H1 TIP3 4131 -22.553 32.758 -36.961 1.00 0.00 WAT +ATOM 18703 H2 TIP3 4131 -21.225 32.086 -36.711 1.00 0.00 WAT +ATOM 18704 OH2 TIP3 4132 -23.004 32.577 -40.828 1.00 0.00 WAT +ATOM 18705 H1 TIP3 4132 -22.387 33.210 -41.261 1.00 0.00 WAT +ATOM 18706 H2 TIP3 4132 -23.297 33.095 -40.060 1.00 0.00 WAT +ATOM 18707 OH2 TIP3 4133 -17.361 33.067 -36.651 1.00 0.00 WAT +ATOM 18708 H1 TIP3 4133 -16.438 32.915 -36.911 1.00 0.00 WAT +ATOM 18709 H2 TIP3 4133 -17.467 32.396 -35.971 1.00 0.00 WAT +ATOM 18710 OH2 TIP3 4134 -11.614 32.866 -35.210 1.00 0.00 WAT +ATOM 18711 H1 TIP3 4134 -11.540 32.711 -36.161 1.00 0.00 WAT +ATOM 18712 H2 TIP3 4134 -12.072 32.051 -34.911 1.00 0.00 WAT +ATOM 18713 OH2 TIP3 4135 -10.631 32.852 -39.243 1.00 0.00 WAT +ATOM 18714 H1 TIP3 4135 -11.428 33.365 -39.475 1.00 0.00 WAT +ATOM 18715 H2 TIP3 4135 -11.021 31.969 -39.112 1.00 0.00 WAT +ATOM 18716 OH2 TIP3 4136 -21.299 34.273 -42.296 1.00 0.00 WAT +ATOM 18717 H1 TIP3 4136 -20.718 33.705 -42.816 1.00 0.00 WAT +ATOM 18718 H2 TIP3 4136 -20.650 34.802 -41.800 1.00 0.00 WAT +ATOM 18719 OH2 TIP3 4137 -16.194 34.451 -39.641 1.00 0.00 WAT +ATOM 18720 H1 TIP3 4137 -15.777 33.830 -39.020 1.00 0.00 WAT +ATOM 18721 H2 TIP3 4137 -15.945 35.296 -39.238 1.00 0.00 WAT +ATOM 18722 OH2 TIP3 4138 -21.965 33.229 -27.021 1.00 0.00 WAT +ATOM 18723 H1 TIP3 4138 -22.354 32.419 -26.649 1.00 0.00 WAT +ATOM 18724 H2 TIP3 4138 -21.041 33.131 -26.735 1.00 0.00 WAT +ATOM 18725 OH2 TIP3 4139 -19.652 32.632 -25.299 1.00 0.00 WAT +ATOM 18726 H1 TIP3 4139 -18.785 32.365 -25.667 1.00 0.00 WAT +ATOM 18727 H2 TIP3 4139 -19.922 31.806 -24.872 1.00 0.00 WAT +ATOM 18728 OH2 TIP3 4140 -11.465 31.704 -25.104 1.00 0.00 WAT +ATOM 18729 H1 TIP3 4140 -11.432 31.357 -24.190 1.00 0.00 WAT +ATOM 18730 H2 TIP3 4140 -10.521 31.709 -25.342 1.00 0.00 WAT +ATOM 18731 OH2 TIP3 4141 -2.643 40.829 -31.554 1.00 0.00 WAT +ATOM 18732 H1 TIP3 4141 -2.644 40.076 -30.937 1.00 0.00 WAT +ATOM 18733 H2 TIP3 4141 -1.865 41.312 -31.245 1.00 0.00 WAT +ATOM 18734 OH2 TIP3 4142 -4.918 38.840 -37.625 1.00 0.00 WAT +ATOM 18735 H1 TIP3 4142 -5.344 39.711 -37.538 1.00 0.00 WAT +ATOM 18736 H2 TIP3 4142 -5.609 38.338 -38.075 1.00 0.00 WAT +ATOM 18737 OH2 TIP3 4143 -3.987 41.358 -35.770 1.00 0.00 WAT +ATOM 18738 H1 TIP3 4143 -3.987 40.550 -35.223 1.00 0.00 WAT +ATOM 18739 H2 TIP3 4143 -3.163 41.229 -36.257 1.00 0.00 WAT +ATOM 18740 OH2 TIP3 4144 12.160 35.182 -31.962 1.00 0.00 WAT +ATOM 18741 H1 TIP3 4144 12.347 35.858 -31.291 1.00 0.00 WAT +ATOM 18742 H2 TIP3 4144 12.698 35.515 -32.704 1.00 0.00 WAT +ATOM 18743 OH2 TIP3 4145 6.783 38.006 -32.315 1.00 0.00 WAT +ATOM 18744 H1 TIP3 4145 6.862 37.041 -32.407 1.00 0.00 WAT +ATOM 18745 H2 TIP3 4145 6.416 38.281 -33.160 1.00 0.00 WAT +ATOM 18746 OH2 TIP3 4146 -0.285 36.042 -35.048 1.00 0.00 WAT +ATOM 18747 H1 TIP3 4146 -0.127 36.906 -35.484 1.00 0.00 WAT +ATOM 18748 H2 TIP3 4146 -0.654 35.549 -35.804 1.00 0.00 WAT +ATOM 18749 OH2 TIP3 4147 7.456 36.143 -36.720 1.00 0.00 WAT +ATOM 18750 H1 TIP3 4147 8.067 35.909 -35.997 1.00 0.00 WAT +ATOM 18751 H2 TIP3 4147 7.873 36.934 -37.081 1.00 0.00 WAT +ATOM 18752 OH2 TIP3 4148 -3.620 38.769 -34.529 1.00 0.00 WAT +ATOM 18753 H1 TIP3 4148 -2.966 38.316 -33.971 1.00 0.00 WAT +ATOM 18754 H2 TIP3 4148 -3.510 38.293 -35.372 1.00 0.00 WAT +ATOM 18755 OH2 TIP3 4149 1.769 40.182 -34.954 1.00 0.00 WAT +ATOM 18756 H1 TIP3 4149 2.596 39.718 -34.708 1.00 0.00 WAT +ATOM 18757 H2 TIP3 4149 1.323 39.511 -35.500 1.00 0.00 WAT +ATOM 18758 OH2 TIP3 4150 12.853 36.610 -29.491 1.00 0.00 WAT +ATOM 18759 H1 TIP3 4150 12.281 37.332 -29.809 1.00 0.00 WAT +ATOM 18760 H2 TIP3 4150 12.593 36.575 -28.562 1.00 0.00 WAT +ATOM 18761 OH2 TIP3 4151 -1.500 34.831 -30.880 1.00 0.00 WAT +ATOM 18762 H1 TIP3 4151 -1.877 35.355 -31.603 1.00 0.00 WAT +ATOM 18763 H2 TIP3 4151 -2.152 35.000 -30.171 1.00 0.00 WAT +ATOM 18764 OH2 TIP3 4152 1.124 42.760 -31.006 1.00 0.00 WAT +ATOM 18765 H1 TIP3 4152 0.371 43.341 -31.198 1.00 0.00 WAT +ATOM 18766 H2 TIP3 4152 1.852 43.301 -31.360 1.00 0.00 WAT +ATOM 18767 OH2 TIP3 4153 9.445 35.427 -34.694 1.00 0.00 WAT +ATOM 18768 H1 TIP3 4153 8.954 34.911 -34.043 1.00 0.00 WAT +ATOM 18769 H2 TIP3 4153 9.892 36.089 -34.136 1.00 0.00 WAT +ATOM 18770 OH2 TIP3 4154 -1.875 36.882 -32.942 1.00 0.00 WAT +ATOM 18771 H1 TIP3 4154 -1.233 37.461 -32.476 1.00 0.00 WAT +ATOM 18772 H2 TIP3 4154 -1.301 36.530 -33.658 1.00 0.00 WAT +ATOM 18773 OH2 TIP3 4155 9.534 34.613 -30.850 1.00 0.00 WAT +ATOM 18774 H1 TIP3 4155 8.764 35.016 -31.293 1.00 0.00 WAT +ATOM 18775 H2 TIP3 4155 10.251 34.809 -31.483 1.00 0.00 WAT +ATOM 18776 OH2 TIP3 4156 2.655 32.330 -33.810 1.00 0.00 WAT +ATOM 18777 H1 TIP3 4156 2.418 31.386 -33.854 1.00 0.00 WAT +ATOM 18778 H2 TIP3 4156 1.839 32.723 -33.433 1.00 0.00 WAT +ATOM 18779 OH2 TIP3 4157 4.656 41.226 -39.100 1.00 0.00 WAT +ATOM 18780 H1 TIP3 4157 4.119 41.942 -39.471 1.00 0.00 WAT +ATOM 18781 H2 TIP3 4157 5.506 41.356 -39.531 1.00 0.00 WAT +ATOM 18782 OH2 TIP3 4158 4.993 39.522 -42.092 1.00 0.00 WAT +ATOM 18783 H1 TIP3 4158 5.616 39.808 -41.402 1.00 0.00 WAT +ATOM 18784 H2 TIP3 4158 5.559 38.902 -42.601 1.00 0.00 WAT +ATOM 18785 OH2 TIP3 4159 12.169 40.559 -30.810 1.00 0.00 WAT +ATOM 18786 H1 TIP3 4159 11.500 41.267 -30.684 1.00 0.00 WAT +ATOM 18787 H2 TIP3 4159 12.665 40.956 -31.557 1.00 0.00 WAT +ATOM 18788 OH2 TIP3 4160 8.070 41.512 -37.925 1.00 0.00 WAT +ATOM 18789 H1 TIP3 4160 7.421 41.620 -37.198 1.00 0.00 WAT +ATOM 18790 H2 TIP3 4160 8.742 40.979 -37.468 1.00 0.00 WAT +ATOM 18791 OH2 TIP3 4161 8.030 39.823 -29.150 1.00 0.00 WAT +ATOM 18792 H1 TIP3 4161 8.068 40.625 -28.607 1.00 0.00 WAT +ATOM 18793 H2 TIP3 4161 7.503 40.172 -29.895 1.00 0.00 WAT +ATOM 18794 OH2 TIP3 4162 -0.240 41.975 -36.085 1.00 0.00 WAT +ATOM 18795 H1 TIP3 4162 -0.320 41.792 -37.037 1.00 0.00 WAT +ATOM 18796 H2 TIP3 4162 0.636 41.592 -35.895 1.00 0.00 WAT +ATOM 18797 OH2 TIP3 4163 0.376 40.725 -32.643 1.00 0.00 WAT +ATOM 18798 H1 TIP3 4163 0.964 40.697 -33.430 1.00 0.00 WAT +ATOM 18799 H2 TIP3 4163 0.759 41.453 -32.114 1.00 0.00 WAT +ATOM 18800 OH2 TIP3 4164 7.387 40.704 -40.526 1.00 0.00 WAT +ATOM 18801 H1 TIP3 4164 7.776 41.055 -39.696 1.00 0.00 WAT +ATOM 18802 H2 TIP3 4164 7.985 41.078 -41.206 1.00 0.00 WAT +ATOM 18803 OH2 TIP3 4165 -1.726 41.446 -28.819 1.00 0.00 WAT +ATOM 18804 H1 TIP3 4165 -1.614 42.103 -28.094 1.00 0.00 WAT +ATOM 18805 H2 TIP3 4165 -2.697 41.387 -28.855 1.00 0.00 WAT +ATOM 18806 OH2 TIP3 4166 10.779 32.363 -40.756 1.00 0.00 WAT +ATOM 18807 H1 TIP3 4166 9.828 32.471 -40.556 1.00 0.00 WAT +ATOM 18808 H2 TIP3 4166 11.012 33.263 -41.029 1.00 0.00 WAT +ATOM 18809 OH2 TIP3 4167 -1.239 40.845 -38.639 1.00 0.00 WAT +ATOM 18810 H1 TIP3 4167 -1.418 41.646 -39.178 1.00 0.00 WAT +ATOM 18811 H2 TIP3 4167 -1.913 40.237 -38.960 1.00 0.00 WAT +ATOM 18812 OH2 TIP3 4168 -5.282 43.104 -29.819 1.00 0.00 WAT +ATOM 18813 H1 TIP3 4168 -5.268 42.923 -30.772 1.00 0.00 WAT +ATOM 18814 H2 TIP3 4168 -4.947 42.263 -29.450 1.00 0.00 WAT +ATOM 18815 OH2 TIP3 4169 10.040 38.366 -26.774 1.00 0.00 WAT +ATOM 18816 H1 TIP3 4169 9.580 38.766 -27.526 1.00 0.00 WAT +ATOM 18817 H2 TIP3 4169 10.120 37.441 -27.076 1.00 0.00 WAT +ATOM 18818 OH2 TIP3 4170 0.236 33.461 -32.882 1.00 0.00 WAT +ATOM 18819 H1 TIP3 4170 -0.594 33.423 -33.392 1.00 0.00 WAT +ATOM 18820 H2 TIP3 4170 0.049 34.228 -32.318 1.00 0.00 WAT +ATOM 18821 OH2 TIP3 4171 4.611 33.061 -29.234 1.00 0.00 WAT +ATOM 18822 H1 TIP3 4171 5.127 32.519 -28.607 1.00 0.00 WAT +ATOM 18823 H2 TIP3 4171 3.701 32.727 -29.122 1.00 0.00 WAT +ATOM 18824 OH2 TIP3 4172 7.797 36.855 -28.694 1.00 0.00 WAT +ATOM 18825 H1 TIP3 4172 7.139 36.713 -27.990 1.00 0.00 WAT +ATOM 18826 H2 TIP3 4172 7.685 37.795 -28.926 1.00 0.00 WAT +ATOM 18827 OH2 TIP3 4173 9.355 41.452 -42.541 1.00 0.00 WAT +ATOM 18828 H1 TIP3 4173 9.137 41.568 -43.474 1.00 0.00 WAT +ATOM 18829 H2 TIP3 4173 9.787 42.304 -42.332 1.00 0.00 WAT +ATOM 18830 OH2 TIP3 4174 4.426 35.444 -42.166 1.00 0.00 WAT +ATOM 18831 H1 TIP3 4174 3.864 35.548 -41.390 1.00 0.00 WAT +ATOM 18832 H2 TIP3 4174 3.967 34.745 -42.644 1.00 0.00 WAT +ATOM 18833 OH2 TIP3 4175 0.083 38.248 -31.456 1.00 0.00 WAT +ATOM 18834 H1 TIP3 4175 -0.525 38.401 -30.714 1.00 0.00 WAT +ATOM 18835 H2 TIP3 4175 0.197 39.153 -31.825 1.00 0.00 WAT +ATOM 18836 OH2 TIP3 4176 0.035 38.303 -36.596 1.00 0.00 WAT +ATOM 18837 H1 TIP3 4176 -0.918 38.259 -36.782 1.00 0.00 WAT +ATOM 18838 H2 TIP3 4176 0.399 38.180 -37.493 1.00 0.00 WAT +ATOM 18839 OH2 TIP3 4177 5.704 38.706 -37.865 1.00 0.00 WAT +ATOM 18840 H1 TIP3 4177 5.411 39.633 -37.784 1.00 0.00 WAT +ATOM 18841 H2 TIP3 4177 6.347 38.757 -38.585 1.00 0.00 WAT +ATOM 18842 OH2 TIP3 4178 4.844 39.227 -26.334 1.00 0.00 WAT +ATOM 18843 H1 TIP3 4178 4.329 38.438 -26.078 1.00 0.00 WAT +ATOM 18844 H2 TIP3 4178 5.732 39.017 -26.003 1.00 0.00 WAT +ATOM 18845 OH2 TIP3 4179 -2.513 38.408 -29.690 1.00 0.00 WAT +ATOM 18846 H1 TIP3 4179 -2.311 38.796 -28.830 1.00 0.00 WAT +ATOM 18847 H2 TIP3 4179 -2.881 37.543 -29.437 1.00 0.00 WAT +ATOM 18848 OH2 TIP3 4180 1.149 35.757 -43.163 1.00 0.00 WAT +ATOM 18849 H1 TIP3 4180 0.822 35.586 -42.260 1.00 0.00 WAT +ATOM 18850 H2 TIP3 4180 0.442 36.344 -43.495 1.00 0.00 WAT +ATOM 18851 OH2 TIP3 4181 -5.725 35.883 -36.010 1.00 0.00 WAT +ATOM 18852 H1 TIP3 4181 -5.117 35.892 -35.247 1.00 0.00 WAT +ATOM 18853 H2 TIP3 4181 -5.183 35.519 -36.724 1.00 0.00 WAT +ATOM 18854 OH2 TIP3 4182 -4.161 36.329 -40.397 1.00 0.00 WAT +ATOM 18855 H1 TIP3 4182 -3.580 36.822 -41.012 1.00 0.00 WAT +ATOM 18856 H2 TIP3 4182 -4.820 37.012 -40.177 1.00 0.00 WAT +ATOM 18857 OH2 TIP3 4183 5.459 40.051 -30.583 1.00 0.00 WAT +ATOM 18858 H1 TIP3 4183 5.925 39.550 -31.276 1.00 0.00 WAT +ATOM 18859 H2 TIP3 4183 5.279 39.379 -29.920 1.00 0.00 WAT +ATOM 18860 OH2 TIP3 4184 2.785 35.855 -35.548 1.00 0.00 WAT +ATOM 18861 H1 TIP3 4184 1.845 35.924 -35.314 1.00 0.00 WAT +ATOM 18862 H2 TIP3 4184 3.200 35.797 -34.673 1.00 0.00 WAT +ATOM 18863 OH2 TIP3 4185 -2.661 37.126 -36.873 1.00 0.00 WAT +ATOM 18864 H1 TIP3 4185 -3.444 37.431 -37.364 1.00 0.00 WAT +ATOM 18865 H2 TIP3 4185 -2.335 36.375 -37.404 1.00 0.00 WAT +ATOM 18866 OH2 TIP3 4186 0.991 37.515 -39.259 1.00 0.00 WAT +ATOM 18867 H1 TIP3 4186 1.955 37.615 -39.156 1.00 0.00 WAT +ATOM 18868 H2 TIP3 4186 0.766 38.142 -39.969 1.00 0.00 WAT +ATOM 18869 OH2 TIP3 4187 7.192 35.068 -32.563 1.00 0.00 WAT +ATOM 18870 H1 TIP3 4187 6.557 35.107 -31.816 1.00 0.00 WAT +ATOM 18871 H2 TIP3 4187 6.605 34.720 -33.258 1.00 0.00 WAT +ATOM 18872 OH2 TIP3 4188 -0.442 38.659 -41.569 1.00 0.00 WAT +ATOM 18873 H1 TIP3 4188 -1.038 38.184 -42.168 1.00 0.00 WAT +ATOM 18874 H2 TIP3 4188 0.290 38.923 -42.148 1.00 0.00 WAT +ATOM 18875 OH2 TIP3 4189 -1.616 43.168 -26.779 1.00 0.00 WAT +ATOM 18876 H1 TIP3 4189 -1.048 43.649 -26.146 1.00 0.00 WAT +ATOM 18877 H2 TIP3 4189 -2.424 43.046 -26.235 1.00 0.00 WAT +ATOM 18878 OH2 TIP3 4190 3.832 38.351 -33.779 1.00 0.00 WAT +ATOM 18879 H1 TIP3 4190 4.522 37.991 -34.343 1.00 0.00 WAT +ATOM 18880 H2 TIP3 4190 3.849 37.792 -32.987 1.00 0.00 WAT +ATOM 18881 OH2 TIP3 4191 -0.877 34.903 -37.635 1.00 0.00 WAT +ATOM 18882 H1 TIP3 4191 -1.401 34.105 -37.465 1.00 0.00 WAT +ATOM 18883 H2 TIP3 4191 -0.037 34.545 -37.953 1.00 0.00 WAT +ATOM 18884 OH2 TIP3 4192 2.762 36.869 -31.478 1.00 0.00 WAT +ATOM 18885 H1 TIP3 4192 2.049 37.524 -31.562 1.00 0.00 WAT +ATOM 18886 H2 TIP3 4192 3.278 37.206 -30.722 1.00 0.00 WAT +ATOM 18887 OH2 TIP3 4193 2.822 43.486 -39.555 1.00 0.00 WAT +ATOM 18888 H1 TIP3 4193 2.173 42.885 -39.964 1.00 0.00 WAT +ATOM 18889 H2 TIP3 4193 2.781 43.266 -38.614 1.00 0.00 WAT +ATOM 18890 OH2 TIP3 4194 10.398 42.657 -30.938 1.00 0.00 WAT +ATOM 18891 H1 TIP3 4194 10.614 43.123 -31.768 1.00 0.00 WAT +ATOM 18892 H2 TIP3 4194 9.447 42.518 -31.106 1.00 0.00 WAT +ATOM 18893 OH2 TIP3 4195 7.088 36.082 -41.859 1.00 0.00 WAT +ATOM 18894 H1 TIP3 4195 6.109 36.067 -41.841 1.00 0.00 WAT +ATOM 18895 H2 TIP3 4195 7.326 36.828 -41.269 1.00 0.00 WAT +ATOM 18896 OH2 TIP3 4196 7.752 37.921 -39.937 1.00 0.00 WAT +ATOM 18897 H1 TIP3 4196 8.588 37.785 -39.450 1.00 0.00 WAT +ATOM 18898 H2 TIP3 4196 7.843 38.834 -40.269 1.00 0.00 WAT +ATOM 18899 OH2 TIP3 4197 -1.649 42.505 -33.865 1.00 0.00 WAT +ATOM 18900 H1 TIP3 4197 -1.094 42.380 -34.668 1.00 0.00 WAT +ATOM 18901 H2 TIP3 4197 -1.531 41.640 -33.440 1.00 0.00 WAT +ATOM 18902 OH2 TIP3 4198 -4.595 40.803 -28.558 1.00 0.00 WAT +ATOM 18903 H1 TIP3 4198 -4.515 40.428 -27.660 1.00 0.00 WAT +ATOM 18904 H2 TIP3 4198 -5.344 40.312 -28.935 1.00 0.00 WAT +ATOM 18905 OH2 TIP3 4199 2.289 40.480 -26.503 1.00 0.00 WAT +ATOM 18906 H1 TIP3 4199 1.941 40.286 -27.390 1.00 0.00 WAT +ATOM 18907 H2 TIP3 4199 3.236 40.285 -26.623 1.00 0.00 WAT +ATOM 18908 OH2 TIP3 4200 12.438 38.033 -39.995 1.00 0.00 WAT +ATOM 18909 H1 TIP3 4200 11.782 37.864 -40.704 1.00 0.00 WAT +ATOM 18910 H2 TIP3 4200 12.544 38.987 -40.152 1.00 0.00 WAT +ATOM 18911 OH2 TIP3 4201 7.788 41.624 -32.215 1.00 0.00 WAT +ATOM 18912 H1 TIP3 4201 6.917 41.746 -32.632 1.00 0.00 WAT +ATOM 18913 H2 TIP3 4201 8.292 41.373 -33.000 1.00 0.00 WAT +ATOM 18914 OH2 TIP3 4202 -3.480 40.840 -41.952 1.00 0.00 WAT +ATOM 18915 H1 TIP3 4202 -2.932 41.537 -41.564 1.00 0.00 WAT +ATOM 18916 H2 TIP3 4202 -4.385 41.117 -41.716 1.00 0.00 WAT +ATOM 18917 OH2 TIP3 4203 -3.367 35.654 -28.872 1.00 0.00 WAT +ATOM 18918 H1 TIP3 4203 -4.270 35.911 -29.148 1.00 0.00 WAT +ATOM 18919 H2 TIP3 4203 -3.520 34.770 -28.495 1.00 0.00 WAT +ATOM 18920 OH2 TIP3 4204 -1.924 -43.948 -40.095 1.00 0.00 WAT +ATOM 18921 H1 TIP3 4204 -2.814 -43.552 -40.023 1.00 0.00 WAT +ATOM 18922 H2 TIP3 4204 -1.409 -43.187 -40.402 1.00 0.00 WAT +ATOM 18923 OH2 TIP3 4205 5.603 35.512 -30.350 1.00 0.00 WAT +ATOM 18924 H1 TIP3 4205 6.241 35.750 -29.665 1.00 0.00 WAT +ATOM 18925 H2 TIP3 4205 5.109 34.772 -29.949 1.00 0.00 WAT +ATOM 18926 OH2 TIP3 4206 6.327 35.048 -39.104 1.00 0.00 WAT +ATOM 18927 H1 TIP3 4206 6.574 35.602 -39.860 1.00 0.00 WAT +ATOM 18928 H2 TIP3 4206 6.722 35.549 -38.362 1.00 0.00 WAT +ATOM 18929 OH2 TIP3 4207 3.648 36.894 -38.156 1.00 0.00 WAT +ATOM 18930 H1 TIP3 4207 4.429 37.488 -38.047 1.00 0.00 WAT +ATOM 18931 H2 TIP3 4207 3.377 36.780 -37.229 1.00 0.00 WAT +ATOM 18932 OH2 TIP3 4208 3.979 37.869 -28.950 1.00 0.00 WAT +ATOM 18933 H1 TIP3 4208 4.124 38.447 -28.186 1.00 0.00 WAT +ATOM 18934 H2 TIP3 4208 4.574 37.130 -28.781 1.00 0.00 WAT +ATOM 18935 OH2 TIP3 4209 4.300 33.957 -37.239 1.00 0.00 WAT +ATOM 18936 H1 TIP3 4209 4.073 34.656 -36.595 1.00 0.00 WAT +ATOM 18937 H2 TIP3 4209 5.035 34.392 -37.720 1.00 0.00 WAT +ATOM 18938 OH2 TIP3 4210 -0.000 35.016 -40.782 1.00 0.00 WAT +ATOM 18939 H1 TIP3 4210 -0.063 35.758 -40.156 1.00 0.00 WAT +ATOM 18940 H2 TIP3 4210 0.765 34.531 -40.423 1.00 0.00 WAT +ATOM 18941 OH2 TIP3 4211 10.304 35.830 -28.100 1.00 0.00 WAT +ATOM 18942 H1 TIP3 4211 9.353 35.997 -28.269 1.00 0.00 WAT +ATOM 18943 H2 TIP3 4211 10.569 35.618 -29.008 1.00 0.00 WAT +ATOM 18944 OH2 TIP3 4212 8.866 39.498 -34.326 1.00 0.00 WAT +ATOM 18945 H1 TIP3 4212 7.897 39.471 -34.368 1.00 0.00 WAT +ATOM 18946 H2 TIP3 4212 9.105 38.817 -33.673 1.00 0.00 WAT +ATOM 18947 OH2 TIP3 4213 -3.419 38.068 -42.567 1.00 0.00 WAT +ATOM 18948 H1 TIP3 4213 -3.268 39.021 -42.397 1.00 0.00 WAT +ATOM 18949 H2 TIP3 4213 -4.335 38.082 -42.893 1.00 0.00 WAT +ATOM 18950 OH2 TIP3 4214 -2.530 33.032 -33.708 1.00 0.00 WAT +ATOM 18951 H1 TIP3 4214 -2.735 33.035 -34.665 1.00 0.00 WAT +ATOM 18952 H2 TIP3 4214 -2.900 32.181 -33.408 1.00 0.00 WAT +ATOM 18953 OH2 TIP3 4215 -4.055 43.070 -25.656 1.00 0.00 WAT +ATOM 18954 H1 TIP3 4215 -4.271 42.120 -25.622 1.00 0.00 WAT +ATOM 18955 H2 TIP3 4215 -4.877 43.498 -25.905 1.00 0.00 WAT +ATOM 18956 OH2 TIP3 4216 1.828 43.283 -26.093 1.00 0.00 WAT +ATOM 18957 H1 TIP3 4216 1.860 43.502 -27.050 1.00 0.00 WAT +ATOM 18958 H2 TIP3 4216 2.190 42.376 -26.090 1.00 0.00 WAT +ATOM 18959 OH2 TIP3 4217 7.866 -43.764 -28.347 1.00 0.00 WAT +ATOM 18960 H1 TIP3 4217 8.645 -43.324 -28.716 1.00 0.00 WAT +ATOM 18961 H2 TIP3 4217 7.165 -43.147 -28.597 1.00 0.00 WAT +ATOM 18962 OH2 TIP3 4218 -3.486 40.243 -25.927 1.00 0.00 WAT +ATOM 18963 H1 TIP3 4218 -2.710 39.661 -25.994 1.00 0.00 WAT +ATOM 18964 H2 TIP3 4218 -3.480 40.450 -24.975 1.00 0.00 WAT +ATOM 18965 OH2 TIP3 4219 1.049 41.592 -40.886 1.00 0.00 WAT +ATOM 18966 H1 TIP3 4219 0.431 41.191 -40.263 1.00 0.00 WAT +ATOM 18967 H2 TIP3 4219 1.320 40.837 -41.434 1.00 0.00 WAT +ATOM 18968 OH2 TIP3 4220 0.249 39.340 -28.507 1.00 0.00 WAT +ATOM 18969 H1 TIP3 4220 -0.333 40.114 -28.381 1.00 0.00 WAT +ATOM 18970 H2 TIP3 4220 0.866 39.673 -29.182 1.00 0.00 WAT +ATOM 18971 OH2 TIP3 4221 2.191 39.562 -42.701 1.00 0.00 WAT +ATOM 18972 H1 TIP3 4221 2.203 39.491 -43.665 1.00 0.00 WAT +ATOM 18973 H2 TIP3 4221 3.149 39.649 -42.505 1.00 0.00 WAT +ATOM 18974 OH2 TIP3 4222 5.557 42.160 -24.945 1.00 0.00 WAT +ATOM 18975 H1 TIP3 4222 6.392 41.959 -25.380 1.00 0.00 WAT +ATOM 18976 H2 TIP3 4222 5.172 41.294 -24.794 1.00 0.00 WAT +ATOM 18977 OH2 TIP3 4223 0.829 36.641 -27.412 1.00 0.00 WAT +ATOM 18978 H1 TIP3 4223 0.881 35.984 -28.130 1.00 0.00 WAT +ATOM 18979 H2 TIP3 4223 0.626 37.454 -27.910 1.00 0.00 WAT +ATOM 18980 OH2 TIP3 4224 1.141 35.080 -29.974 1.00 0.00 WAT +ATOM 18981 H1 TIP3 4224 1.665 35.640 -30.585 1.00 0.00 WAT +ATOM 18982 H2 TIP3 4224 0.234 35.150 -30.333 1.00 0.00 WAT +ATOM 18983 OH2 TIP3 4225 2.683 40.671 -29.660 1.00 0.00 WAT +ATOM 18984 H1 TIP3 4225 3.519 40.561 -30.154 1.00 0.00 WAT +ATOM 18985 H2 TIP3 4225 2.327 41.486 -30.046 1.00 0.00 WAT +ATOM 18986 OH2 TIP3 4226 7.313 38.370 -24.656 1.00 0.00 WAT +ATOM 18987 H1 TIP3 4226 7.609 37.488 -24.914 1.00 0.00 WAT +ATOM 18988 H2 TIP3 4226 8.126 38.887 -24.783 1.00 0.00 WAT +ATOM 18989 OH2 TIP3 4227 8.204 41.361 -26.380 1.00 0.00 WAT +ATOM 18990 H1 TIP3 4227 7.984 42.072 -27.026 1.00 0.00 WAT +ATOM 18991 H2 TIP3 4227 9.110 41.158 -26.666 1.00 0.00 WAT +ATOM 18992 OH2 TIP3 4228 -1.016 38.492 -25.589 1.00 0.00 WAT +ATOM 18993 H1 TIP3 4228 -1.529 37.664 -25.635 1.00 0.00 WAT +ATOM 18994 H2 TIP3 4228 -0.218 38.257 -26.086 1.00 0.00 WAT +ATOM 18995 OH2 TIP3 4229 1.857 32.426 -29.597 1.00 0.00 WAT +ATOM 18996 H1 TIP3 4229 1.696 33.380 -29.775 1.00 0.00 WAT +ATOM 18997 H2 TIP3 4229 1.166 32.016 -30.151 1.00 0.00 WAT +ATOM 18998 OH2 TIP3 4230 3.150 36.970 -25.801 1.00 0.00 WAT +ATOM 18999 H1 TIP3 4230 2.702 36.816 -24.950 1.00 0.00 WAT +ATOM 19000 H2 TIP3 4230 2.388 36.819 -26.401 1.00 0.00 WAT +ATOM 19001 OH2 TIP3 4231 5.699 36.070 -26.929 1.00 0.00 WAT +ATOM 19002 H1 TIP3 4231 4.786 36.119 -26.586 1.00 0.00 WAT +ATOM 19003 H2 TIP3 4231 6.106 35.440 -26.310 1.00 0.00 WAT +ATOM 19004 OH2 TIP3 4232 7.507 34.654 -24.917 1.00 0.00 WAT +ATOM 19005 H1 TIP3 4232 7.350 33.689 -24.992 1.00 0.00 WAT +ATOM 19006 H2 TIP3 4232 7.096 34.863 -24.072 1.00 0.00 WAT +ATOM 19007 OH2 TIP3 4233 -2.296 35.939 -25.782 1.00 0.00 WAT +ATOM 19008 H1 TIP3 4233 -2.403 35.254 -26.461 1.00 0.00 WAT +ATOM 19009 H2 TIP3 4233 -2.555 35.460 -24.973 1.00 0.00 WAT +ATOM 19010 OH2 TIP3 4234 1.712 31.915 -26.778 1.00 0.00 WAT +ATOM 19011 H1 TIP3 4234 2.325 31.162 -26.758 1.00 0.00 WAT +ATOM 19012 H2 TIP3 4234 1.660 32.081 -27.741 1.00 0.00 WAT +ATOM 19013 OH2 TIP3 4235 2.665 33.790 -24.900 1.00 0.00 WAT +ATOM 19014 H1 TIP3 4235 2.371 33.208 -25.629 1.00 0.00 WAT +ATOM 19015 H2 TIP3 4235 1.981 34.481 -24.899 1.00 0.00 WAT +ATOM 19016 OH2 TIP3 4236 12.101 43.677 -38.873 1.00 0.00 WAT +ATOM 19017 H1 TIP3 4236 13.029 43.570 -39.106 1.00 0.00 WAT +ATOM 19018 H2 TIP3 4236 11.851 42.804 -38.533 1.00 0.00 WAT +ATOM 19019 OH2 TIP3 4237 12.422 41.280 -37.332 1.00 0.00 WAT +ATOM 19020 H1 TIP3 4237 11.615 40.867 -36.954 1.00 0.00 WAT +ATOM 19021 H2 TIP3 4237 12.930 41.525 -36.540 1.00 0.00 WAT +ATOM 19022 OH2 TIP3 4238 12.602 41.085 -41.080 1.00 0.00 WAT +ATOM 19023 H1 TIP3 4238 11.943 41.379 -41.728 1.00 0.00 WAT +ATOM 19024 H2 TIP3 4238 12.408 41.691 -40.357 1.00 0.00 WAT +ATOM 19025 OH2 TIP3 4239 10.839 38.481 -42.116 1.00 0.00 WAT +ATOM 19026 H1 TIP3 4239 11.074 39.206 -42.717 1.00 0.00 WAT +ATOM 19027 H2 TIP3 4239 11.140 37.709 -42.603 1.00 0.00 WAT +ATOM 19028 OH2 TIP3 4240 10.206 39.671 -36.626 1.00 0.00 WAT +ATOM 19029 H1 TIP3 4240 10.082 38.723 -36.792 1.00 0.00 WAT +ATOM 19030 H2 TIP3 4240 9.758 39.752 -35.749 1.00 0.00 WAT +ATOM 19031 OH2 TIP3 4241 -4.994 41.891 -32.597 1.00 0.00 WAT +ATOM 19032 H1 TIP3 4241 -4.897 42.023 -33.552 1.00 0.00 WAT +ATOM 19033 H2 TIP3 4241 -4.092 41.603 -32.339 1.00 0.00 WAT +ATOM 19034 OH2 TIP3 4242 11.014 41.586 -27.437 1.00 0.00 WAT +ATOM 19035 H1 TIP3 4242 11.731 41.019 -27.090 1.00 0.00 WAT +ATOM 19036 H2 TIP3 4242 11.424 42.453 -27.599 1.00 0.00 WAT +ATOM 19037 OH2 TIP3 4243 12.400 39.669 -26.161 1.00 0.00 WAT +ATOM 19038 H1 TIP3 4243 11.601 39.142 -26.373 1.00 0.00 WAT +ATOM 19039 H2 TIP3 4243 13.092 38.985 -26.146 1.00 0.00 WAT +ATOM 19040 OH2 TIP3 4244 10.055 35.428 -43.254 1.00 0.00 WAT +ATOM 19041 H1 TIP3 4244 10.604 35.056 -42.558 1.00 0.00 WAT +ATOM 19042 H2 TIP3 4244 9.218 34.934 -43.183 1.00 0.00 WAT +ATOM 19043 OH2 TIP3 4245 10.071 37.118 -38.347 1.00 0.00 WAT +ATOM 19044 H1 TIP3 4245 10.292 36.167 -38.261 1.00 0.00 WAT +ATOM 19045 H2 TIP3 4245 10.895 37.469 -38.716 1.00 0.00 WAT +ATOM 19046 OH2 TIP3 4246 10.340 37.559 -32.873 1.00 0.00 WAT +ATOM 19047 H1 TIP3 4246 11.283 37.803 -32.925 1.00 0.00 WAT +ATOM 19048 H2 TIP3 4246 10.162 37.724 -31.934 1.00 0.00 WAT +ATOM 19049 OH2 TIP3 4247 10.506 38.397 -30.014 1.00 0.00 WAT +ATOM 19050 H1 TIP3 4247 9.624 38.773 -29.832 1.00 0.00 WAT +ATOM 19051 H2 TIP3 4247 11.004 39.194 -30.287 1.00 0.00 WAT +ATOM 19052 OH2 TIP3 4248 -5.005 37.165 -26.361 1.00 0.00 WAT +ATOM 19053 H1 TIP3 4248 -4.073 36.894 -26.382 1.00 0.00 WAT +ATOM 19054 H2 TIP3 4248 -5.458 36.305 -26.320 1.00 0.00 WAT +ATOM 19055 OH2 TIP3 4249 13.057 32.526 -24.776 1.00 0.00 WAT +ATOM 19056 H1 TIP3 4249 13.487 31.833 -25.313 1.00 0.00 WAT +ATOM 19057 H2 TIP3 4249 13.102 33.298 -25.374 1.00 0.00 WAT +ATOM 19058 OH2 TIP3 4250 10.601 34.303 -38.313 1.00 0.00 WAT +ATOM 19059 H1 TIP3 4250 10.633 34.000 -37.391 1.00 0.00 WAT +ATOM 19060 H2 TIP3 4250 9.819 33.816 -38.644 1.00 0.00 WAT +ATOM 19061 OH2 TIP3 4251 -4.223 35.473 -33.599 1.00 0.00 WAT +ATOM 19062 H1 TIP3 4251 -3.759 34.624 -33.507 1.00 0.00 WAT +ATOM 19063 H2 TIP3 4251 -3.546 36.086 -33.255 1.00 0.00 WAT +ATOM 19064 OH2 TIP3 4252 -5.677 38.142 -32.527 1.00 0.00 WAT +ATOM 19065 H1 TIP3 4252 -5.090 38.124 -33.301 1.00 0.00 WAT +ATOM 19066 H2 TIP3 4252 -5.357 38.931 -32.070 1.00 0.00 WAT +ATOM 19067 OH2 TIP3 4253 12.452 34.579 -26.532 1.00 0.00 WAT +ATOM 19068 H1 TIP3 4253 11.574 35.001 -26.502 1.00 0.00 WAT +ATOM 19069 H2 TIP3 4253 12.340 34.025 -27.327 1.00 0.00 WAT +ATOM 19070 OH2 TIP3 4254 12.600 34.705 -41.729 1.00 0.00 WAT +ATOM 19071 H1 TIP3 4254 12.839 34.029 -42.369 1.00 0.00 WAT +ATOM 19072 H2 TIP3 4254 13.409 35.241 -41.688 1.00 0.00 WAT +ATOM 19073 OH2 TIP3 4255 -5.179 34.444 -38.559 1.00 0.00 WAT +ATOM 19074 H1 TIP3 4255 -6.137 34.515 -38.710 1.00 0.00 WAT +ATOM 19075 H2 TIP3 4255 -4.808 35.085 -39.197 1.00 0.00 WAT +ATOM 19076 OH2 TIP3 4256 -5.149 33.354 -30.352 1.00 0.00 WAT +ATOM 19077 H1 TIP3 4256 -5.859 33.112 -29.741 1.00 0.00 WAT +ATOM 19078 H2 TIP3 4256 -5.636 33.901 -30.997 1.00 0.00 WAT +ATOM 19079 OH2 TIP3 4257 11.306 32.795 -28.533 1.00 0.00 WAT +ATOM 19080 H1 TIP3 4257 10.525 33.018 -29.069 1.00 0.00 WAT +ATOM 19081 H2 TIP3 4257 11.529 31.906 -28.880 1.00 0.00 WAT +ATOM 19082 OH2 TIP3 4258 4.779 34.267 -34.021 1.00 0.00 WAT +ATOM 19083 H1 TIP3 4258 4.053 33.617 -33.959 1.00 0.00 WAT +ATOM 19084 H2 TIP3 4258 5.337 33.879 -34.711 1.00 0.00 WAT +ATOM 19085 OH2 TIP3 4259 9.698 32.298 -33.640 1.00 0.00 WAT +ATOM 19086 H1 TIP3 4259 10.448 32.779 -34.034 1.00 0.00 WAT +ATOM 19087 H2 TIP3 4259 8.944 32.633 -34.158 1.00 0.00 WAT +ATOM 19088 OH2 TIP3 4260 11.807 33.393 -35.723 1.00 0.00 WAT +ATOM 19089 H1 TIP3 4260 12.501 33.039 -36.304 1.00 0.00 WAT +ATOM 19090 H2 TIP3 4260 12.058 34.334 -35.654 1.00 0.00 WAT +ATOM 19091 OH2 TIP3 4261 -2.904 33.010 -36.511 1.00 0.00 WAT +ATOM 19092 H1 TIP3 4261 -3.755 32.893 -36.976 1.00 0.00 WAT +ATOM 19093 H2 TIP3 4261 -2.467 32.161 -36.691 1.00 0.00 WAT +ATOM 19094 OH2 TIP3 4262 -4.147 32.563 -40.827 1.00 0.00 WAT +ATOM 19095 H1 TIP3 4262 -3.540 33.199 -41.271 1.00 0.00 WAT +ATOM 19096 H2 TIP3 4262 -4.461 33.096 -40.076 1.00 0.00 WAT +ATOM 19097 OH2 TIP3 4263 1.571 32.787 -36.653 1.00 0.00 WAT +ATOM 19098 H1 TIP3 4263 2.446 33.181 -36.808 1.00 0.00 WAT +ATOM 19099 H2 TIP3 4263 1.554 32.764 -35.689 1.00 0.00 WAT +ATOM 19100 OH2 TIP3 4264 7.210 32.859 -35.215 1.00 0.00 WAT +ATOM 19101 H1 TIP3 4264 7.403 32.780 -36.160 1.00 0.00 WAT +ATOM 19102 H2 TIP3 4264 6.775 32.011 -35.019 1.00 0.00 WAT +ATOM 19103 OH2 TIP3 4265 8.252 32.836 -39.217 1.00 0.00 WAT +ATOM 19104 H1 TIP3 4265 7.480 33.396 -39.423 1.00 0.00 WAT +ATOM 19105 H2 TIP3 4265 7.853 31.948 -39.223 1.00 0.00 WAT +ATOM 19106 OH2 TIP3 4266 -2.438 34.238 -42.282 1.00 0.00 WAT +ATOM 19107 H1 TIP3 4266 -1.833 33.738 -42.845 1.00 0.00 WAT +ATOM 19108 H2 TIP3 4266 -1.813 34.811 -41.804 1.00 0.00 WAT +ATOM 19109 OH2 TIP3 4267 2.678 34.437 -39.583 1.00 0.00 WAT +ATOM 19110 H1 TIP3 4267 3.116 33.951 -38.866 1.00 0.00 WAT +ATOM 19111 H2 TIP3 4267 2.908 35.343 -39.315 1.00 0.00 WAT +ATOM 19112 OH2 TIP3 4268 -3.113 33.241 -27.010 1.00 0.00 WAT +ATOM 19113 H1 TIP3 4268 -3.507 32.428 -26.647 1.00 0.00 WAT +ATOM 19114 H2 TIP3 4268 -2.186 33.134 -26.744 1.00 0.00 WAT +ATOM 19115 OH2 TIP3 4269 -0.706 32.646 -25.242 1.00 0.00 WAT +ATOM 19116 H1 TIP3 4269 0.107 32.305 -25.665 1.00 0.00 WAT +ATOM 19117 H2 TIP3 4269 -1.080 31.836 -24.861 1.00 0.00 WAT +ATOM 19118 OH2 TIP3 4270 7.412 31.846 -25.082 1.00 0.00 WAT +ATOM 19119 H1 TIP3 4270 7.445 31.373 -24.229 1.00 0.00 WAT +ATOM 19120 H2 TIP3 4270 8.344 31.787 -25.367 1.00 0.00 WAT +ATOM 19121 OH2 TIP3 4271 24.993 42.040 -36.473 1.00 0.00 WAT +ATOM 19122 H1 TIP3 4271 24.672 42.950 -36.452 1.00 0.00 WAT +ATOM 19123 H2 TIP3 4271 24.255 41.598 -36.920 1.00 0.00 WAT +ATOM 19124 OH2 TIP3 4272 23.804 41.320 -33.176 1.00 0.00 WAT +ATOM 19125 H1 TIP3 4272 23.820 40.795 -32.360 1.00 0.00 WAT +ATOM 19126 H2 TIP3 4272 23.527 40.673 -33.835 1.00 0.00 WAT +ATOM 19127 OH2 TIP3 4273 16.241 40.817 -31.581 1.00 0.00 WAT +ATOM 19128 H1 TIP3 4273 16.210 40.073 -30.954 1.00 0.00 WAT +ATOM 19129 H2 TIP3 4273 16.965 41.336 -31.208 1.00 0.00 WAT +ATOM 19130 OH2 TIP3 4274 13.953 38.870 -37.625 1.00 0.00 WAT +ATOM 19131 H1 TIP3 4274 13.480 39.718 -37.533 1.00 0.00 WAT +ATOM 19132 H2 TIP3 4274 13.266 38.324 -38.031 1.00 0.00 WAT +ATOM 19133 OH2 TIP3 4275 14.924 41.382 -35.739 1.00 0.00 WAT +ATOM 19134 H1 TIP3 4275 14.867 40.561 -35.212 1.00 0.00 WAT +ATOM 19135 H2 TIP3 4275 15.665 41.159 -36.313 1.00 0.00 WAT +ATOM 19136 OH2 TIP3 4276 30.885 35.275 -32.009 1.00 0.00 WAT +ATOM 19137 H1 TIP3 4276 31.191 35.826 -31.273 1.00 0.00 WAT +ATOM 19138 H2 TIP3 4276 31.627 35.413 -32.633 1.00 0.00 WAT +ATOM 19139 OH2 TIP3 4277 25.612 38.039 -32.112 1.00 0.00 WAT +ATOM 19140 H1 TIP3 4277 25.750 37.078 -32.069 1.00 0.00 WAT +ATOM 19141 H2 TIP3 4277 25.514 38.176 -33.066 1.00 0.00 WAT +ATOM 19142 OH2 TIP3 4278 18.589 36.051 -35.054 1.00 0.00 WAT +ATOM 19143 H1 TIP3 4278 18.714 36.910 -35.505 1.00 0.00 WAT +ATOM 19144 H2 TIP3 4278 18.211 35.535 -35.792 1.00 0.00 WAT +ATOM 19145 OH2 TIP3 4279 26.411 36.209 -36.747 1.00 0.00 WAT +ATOM 19146 H1 TIP3 4279 26.984 35.772 -36.081 1.00 0.00 WAT +ATOM 19147 H2 TIP3 4279 27.078 36.649 -37.294 1.00 0.00 WAT +ATOM 19148 OH2 TIP3 4280 15.262 38.795 -34.539 1.00 0.00 WAT +ATOM 19149 H1 TIP3 4280 15.873 38.303 -33.968 1.00 0.00 WAT +ATOM 19150 H2 TIP3 4280 15.329 38.294 -35.371 1.00 0.00 WAT +ATOM 19151 OH2 TIP3 4281 20.681 40.187 -35.067 1.00 0.00 WAT +ATOM 19152 H1 TIP3 4281 21.346 39.596 -34.660 1.00 0.00 WAT +ATOM 19153 H2 TIP3 4281 20.125 39.544 -35.549 1.00 0.00 WAT +ATOM 19154 OH2 TIP3 4282 31.719 36.622 -29.490 1.00 0.00 WAT +ATOM 19155 H1 TIP3 4282 31.112 37.318 -29.802 1.00 0.00 WAT +ATOM 19156 H2 TIP3 4282 31.444 36.544 -28.568 1.00 0.00 WAT +ATOM 19157 OH2 TIP3 4283 17.373 34.842 -30.882 1.00 0.00 WAT +ATOM 19158 H1 TIP3 4283 16.975 35.352 -31.604 1.00 0.00 WAT +ATOM 19159 H2 TIP3 4283 16.716 34.989 -30.173 1.00 0.00 WAT +ATOM 19160 OH2 TIP3 4284 20.081 42.674 -31.111 1.00 0.00 WAT +ATOM 19161 H1 TIP3 4284 19.267 43.200 -31.076 1.00 0.00 WAT +ATOM 19162 H2 TIP3 4284 20.733 43.385 -31.173 1.00 0.00 WAT +ATOM 19163 OH2 TIP3 4285 28.264 35.457 -34.701 1.00 0.00 WAT +ATOM 19164 H1 TIP3 4285 27.869 34.870 -34.044 1.00 0.00 WAT +ATOM 19165 H2 TIP3 4285 28.787 36.056 -34.140 1.00 0.00 WAT +ATOM 19166 OH2 TIP3 4286 16.982 36.880 -32.943 1.00 0.00 WAT +ATOM 19167 H1 TIP3 4286 17.621 37.459 -32.477 1.00 0.00 WAT +ATOM 19168 H2 TIP3 4286 17.557 36.522 -33.654 1.00 0.00 WAT +ATOM 19169 OH2 TIP3 4287 28.373 34.612 -30.842 1.00 0.00 WAT +ATOM 19170 H1 TIP3 4287 27.604 35.000 -31.301 1.00 0.00 WAT +ATOM 19171 H2 TIP3 4287 29.103 34.818 -31.460 1.00 0.00 WAT +ATOM 19172 OH2 TIP3 4288 21.516 32.336 -33.806 1.00 0.00 WAT +ATOM 19173 H1 TIP3 4288 21.288 31.388 -33.849 1.00 0.00 WAT +ATOM 19174 H2 TIP3 4288 20.695 32.719 -33.429 1.00 0.00 WAT +ATOM 19175 OH2 TIP3 4289 23.537 41.398 -39.088 1.00 0.00 WAT +ATOM 19176 H1 TIP3 4289 22.887 41.833 -39.660 1.00 0.00 WAT +ATOM 19177 H2 TIP3 4289 24.300 41.347 -39.685 1.00 0.00 WAT +ATOM 19178 OH2 TIP3 4290 23.864 39.513 -42.030 1.00 0.00 WAT +ATOM 19179 H1 TIP3 4290 24.573 39.813 -41.439 1.00 0.00 WAT +ATOM 19180 H2 TIP3 4290 24.368 38.898 -42.608 1.00 0.00 WAT +ATOM 19181 OH2 TIP3 4291 31.033 40.575 -30.788 1.00 0.00 WAT +ATOM 19182 H1 TIP3 4291 30.355 41.277 -30.684 1.00 0.00 WAT +ATOM 19183 H2 TIP3 4291 31.519 40.943 -31.555 1.00 0.00 WAT +ATOM 19184 OH2 TIP3 4292 27.205 41.406 -38.072 1.00 0.00 WAT +ATOM 19185 H1 TIP3 4292 26.542 41.614 -37.383 1.00 0.00 WAT +ATOM 19186 H2 TIP3 4292 27.857 40.887 -37.565 1.00 0.00 WAT +ATOM 19187 OH2 TIP3 4293 26.942 39.817 -29.116 1.00 0.00 WAT +ATOM 19188 H1 TIP3 4293 26.962 40.609 -28.556 1.00 0.00 WAT +ATOM 19189 H2 TIP3 4293 26.364 40.145 -29.829 1.00 0.00 WAT +ATOM 19190 OH2 TIP3 4294 18.718 42.053 -36.108 1.00 0.00 WAT +ATOM 19191 H1 TIP3 4294 18.518 41.787 -37.024 1.00 0.00 WAT +ATOM 19192 H2 TIP3 4294 19.513 41.529 -35.915 1.00 0.00 WAT +ATOM 19193 OH2 TIP3 4295 19.289 40.662 -32.692 1.00 0.00 WAT +ATOM 19194 H1 TIP3 4295 19.855 40.741 -33.485 1.00 0.00 WAT +ATOM 19195 H2 TIP3 4295 19.588 41.420 -32.146 1.00 0.00 WAT +ATOM 19196 OH2 TIP3 4296 26.178 40.779 -40.555 1.00 0.00 WAT +ATOM 19197 H1 TIP3 4296 26.687 41.018 -39.747 1.00 0.00 WAT +ATOM 19198 H2 TIP3 4296 26.793 41.088 -41.257 1.00 0.00 WAT +ATOM 19199 OH2 TIP3 4297 17.132 41.468 -28.839 1.00 0.00 WAT +ATOM 19200 H1 TIP3 4297 17.240 42.104 -28.095 1.00 0.00 WAT +ATOM 19201 H2 TIP3 4297 16.162 41.393 -28.864 1.00 0.00 WAT +ATOM 19202 OH2 TIP3 4298 29.645 32.411 -40.806 1.00 0.00 WAT +ATOM 19203 H1 TIP3 4298 28.706 32.502 -40.560 1.00 0.00 WAT +ATOM 19204 H2 TIP3 4298 29.879 33.331 -41.002 1.00 0.00 WAT +ATOM 19205 OH2 TIP3 4299 17.628 40.868 -38.613 1.00 0.00 WAT +ATOM 19206 H1 TIP3 4299 17.417 41.659 -39.156 1.00 0.00 WAT +ATOM 19207 H2 TIP3 4299 16.967 40.236 -38.923 1.00 0.00 WAT +ATOM 19208 OH2 TIP3 4300 13.614 43.096 -29.810 1.00 0.00 WAT +ATOM 19209 H1 TIP3 4300 13.566 42.922 -30.763 1.00 0.00 WAT +ATOM 19210 H2 TIP3 4300 13.910 42.234 -29.460 1.00 0.00 WAT +ATOM 19211 OH2 TIP3 4301 28.926 38.386 -26.779 1.00 0.00 WAT +ATOM 19212 H1 TIP3 4301 28.420 38.748 -27.521 1.00 0.00 WAT +ATOM 19213 H2 TIP3 4301 28.981 37.445 -27.038 1.00 0.00 WAT +ATOM 19214 OH2 TIP3 4302 19.096 33.481 -32.889 1.00 0.00 WAT +ATOM 19215 H1 TIP3 4302 18.268 33.419 -33.400 1.00 0.00 WAT +ATOM 19216 H2 TIP3 4302 18.872 34.218 -32.299 1.00 0.00 WAT +ATOM 19217 OH2 TIP3 4303 23.463 33.063 -29.244 1.00 0.00 WAT +ATOM 19218 H1 TIP3 4303 23.988 32.535 -28.611 1.00 0.00 WAT +ATOM 19219 H2 TIP3 4303 22.557 32.724 -29.116 1.00 0.00 WAT +ATOM 19220 OH2 TIP3 4304 26.637 36.856 -28.709 1.00 0.00 WAT +ATOM 19221 H1 TIP3 4304 26.007 36.699 -27.980 1.00 0.00 WAT +ATOM 19222 H2 TIP3 4304 26.534 37.806 -28.893 1.00 0.00 WAT +ATOM 19223 OH2 TIP3 4305 28.155 41.462 -42.510 1.00 0.00 WAT +ATOM 19224 H1 TIP3 4305 27.993 41.532 -43.459 1.00 0.00 WAT +ATOM 19225 H2 TIP3 4305 28.631 42.298 -42.333 1.00 0.00 WAT +ATOM 19226 OH2 TIP3 4306 23.293 35.448 -42.158 1.00 0.00 WAT +ATOM 19227 H1 TIP3 4306 22.729 35.510 -41.377 1.00 0.00 WAT +ATOM 19228 H2 TIP3 4306 22.837 34.763 -42.661 1.00 0.00 WAT +ATOM 19229 OH2 TIP3 4307 18.962 38.237 -31.439 1.00 0.00 WAT +ATOM 19230 H1 TIP3 4307 18.330 38.376 -30.713 1.00 0.00 WAT +ATOM 19231 H2 TIP3 4307 19.043 39.140 -31.825 1.00 0.00 WAT +ATOM 19232 OH2 TIP3 4308 18.893 38.348 -36.609 1.00 0.00 WAT +ATOM 19233 H1 TIP3 4308 17.935 38.257 -36.767 1.00 0.00 WAT +ATOM 19234 H2 TIP3 4308 19.234 38.157 -37.506 1.00 0.00 WAT +ATOM 19235 OH2 TIP3 4309 24.594 38.967 -37.839 1.00 0.00 WAT +ATOM 19236 H1 TIP3 4309 24.118 39.721 -38.231 1.00 0.00 WAT +ATOM 19237 H2 TIP3 4309 25.209 38.722 -38.554 1.00 0.00 WAT +ATOM 19238 OH2 TIP3 4310 23.700 39.220 -26.368 1.00 0.00 WAT +ATOM 19239 H1 TIP3 4310 23.190 38.442 -26.069 1.00 0.00 WAT +ATOM 19240 H2 TIP3 4310 24.587 39.031 -26.009 1.00 0.00 WAT +ATOM 19241 OH2 TIP3 4311 25.343 38.294 -35.067 1.00 0.00 WAT +ATOM 19242 H1 TIP3 4311 25.094 38.844 -35.835 1.00 0.00 WAT +ATOM 19243 H2 TIP3 4311 25.585 37.472 -35.540 1.00 0.00 WAT +ATOM 19244 OH2 TIP3 4312 16.368 38.403 -29.689 1.00 0.00 WAT +ATOM 19245 H1 TIP3 4312 16.527 38.794 -28.823 1.00 0.00 WAT +ATOM 19246 H2 TIP3 4312 15.976 37.544 -29.450 1.00 0.00 WAT +ATOM 19247 OH2 TIP3 4313 20.038 35.797 -43.143 1.00 0.00 WAT +ATOM 19248 H1 TIP3 4313 19.678 35.578 -42.262 1.00 0.00 WAT +ATOM 19249 H2 TIP3 4313 19.311 36.349 -43.493 1.00 0.00 WAT +ATOM 19250 OH2 TIP3 4314 13.165 35.933 -36.019 1.00 0.00 WAT +ATOM 19251 H1 TIP3 4314 13.758 35.864 -35.249 1.00 0.00 WAT +ATOM 19252 H2 TIP3 4314 13.654 35.499 -36.733 1.00 0.00 WAT +ATOM 19253 OH2 TIP3 4315 14.720 36.339 -40.384 1.00 0.00 WAT +ATOM 19254 H1 TIP3 4315 15.273 36.837 -41.017 1.00 0.00 WAT +ATOM 19255 H2 TIP3 4315 14.030 36.996 -40.176 1.00 0.00 WAT +ATOM 19256 OH2 TIP3 4316 24.342 39.966 -30.601 1.00 0.00 WAT +ATOM 19257 H1 TIP3 4316 24.862 39.295 -31.097 1.00 0.00 WAT +ATOM 19258 H2 TIP3 4316 24.030 39.439 -29.849 1.00 0.00 WAT +ATOM 19259 OH2 TIP3 4317 21.666 35.935 -35.573 1.00 0.00 WAT +ATOM 19260 H1 TIP3 4317 20.720 35.912 -35.349 1.00 0.00 WAT +ATOM 19261 H2 TIP3 4317 22.075 35.747 -34.711 1.00 0.00 WAT +ATOM 19262 OH2 TIP3 4318 16.237 37.154 -36.899 1.00 0.00 WAT +ATOM 19263 H1 TIP3 4318 15.414 37.426 -37.342 1.00 0.00 WAT +ATOM 19264 H2 TIP3 4318 16.515 36.369 -37.406 1.00 0.00 WAT +ATOM 19265 OH2 TIP3 4319 19.847 37.551 -39.227 1.00 0.00 WAT +ATOM 19266 H1 TIP3 4319 20.816 37.621 -39.180 1.00 0.00 WAT +ATOM 19267 H2 TIP3 4319 19.604 38.122 -39.979 1.00 0.00 WAT +ATOM 19268 OH2 TIP3 4320 26.044 35.075 -32.548 1.00 0.00 WAT +ATOM 19269 H1 TIP3 4320 25.398 35.085 -31.808 1.00 0.00 WAT +ATOM 19270 H2 TIP3 4320 25.472 34.742 -33.261 1.00 0.00 WAT +ATOM 19271 OH2 TIP3 4321 18.438 38.673 -41.562 1.00 0.00 WAT +ATOM 19272 H1 TIP3 4321 17.813 38.199 -42.135 1.00 0.00 WAT +ATOM 19273 H2 TIP3 4321 19.159 38.897 -42.169 1.00 0.00 WAT +ATOM 19274 OH2 TIP3 4322 17.244 43.162 -26.774 1.00 0.00 WAT +ATOM 19275 H1 TIP3 4322 17.793 43.651 -26.128 1.00 0.00 WAT +ATOM 19276 H2 TIP3 4322 16.426 43.041 -26.242 1.00 0.00 WAT +ATOM 19277 OH2 TIP3 4323 22.673 38.498 -33.745 1.00 0.00 WAT +ATOM 19278 H1 TIP3 4323 23.420 38.074 -34.195 1.00 0.00 WAT +ATOM 19279 H2 TIP3 4323 22.525 37.896 -32.989 1.00 0.00 WAT +ATOM 19280 OH2 TIP3 4324 17.996 34.894 -37.631 1.00 0.00 WAT +ATOM 19281 H1 TIP3 4324 17.434 34.118 -37.469 1.00 0.00 WAT +ATOM 19282 H2 TIP3 4324 18.819 34.497 -37.948 1.00 0.00 WAT +ATOM 19283 OH2 TIP3 4325 21.651 36.946 -31.513 1.00 0.00 WAT +ATOM 19284 H1 TIP3 4325 20.868 37.521 -31.490 1.00 0.00 WAT +ATOM 19285 H2 TIP3 4325 22.144 37.208 -30.712 1.00 0.00 WAT +ATOM 19286 OH2 TIP3 4326 21.484 43.601 -39.460 1.00 0.00 WAT +ATOM 19287 H1 TIP3 4326 20.955 42.941 -39.949 1.00 0.00 WAT +ATOM 19288 H2 TIP3 4326 21.779 43.136 -38.674 1.00 0.00 WAT +ATOM 19289 OH2 TIP3 4327 29.263 42.666 -30.931 1.00 0.00 WAT +ATOM 19290 H1 TIP3 4327 29.502 43.118 -31.762 1.00 0.00 WAT +ATOM 19291 H2 TIP3 4327 28.311 42.552 -31.111 1.00 0.00 WAT +ATOM 19292 OH2 TIP3 4328 25.940 36.107 -41.847 1.00 0.00 WAT +ATOM 19293 H1 TIP3 4328 24.961 36.078 -41.858 1.00 0.00 WAT +ATOM 19294 H2 TIP3 4328 26.158 36.855 -41.258 1.00 0.00 WAT +ATOM 19295 OH2 TIP3 4329 26.555 37.946 -39.854 1.00 0.00 WAT +ATOM 19296 H1 TIP3 4329 27.424 37.751 -39.449 1.00 0.00 WAT +ATOM 19297 H2 TIP3 4329 26.727 38.794 -40.299 1.00 0.00 WAT +ATOM 19298 OH2 TIP3 4330 17.262 42.526 -33.871 1.00 0.00 WAT +ATOM 19299 H1 TIP3 4330 17.815 42.404 -34.674 1.00 0.00 WAT +ATOM 19300 H2 TIP3 4330 17.280 41.637 -33.488 1.00 0.00 WAT +ATOM 19301 OH2 TIP3 4331 14.275 40.776 -28.570 1.00 0.00 WAT +ATOM 19302 H1 TIP3 4331 14.335 40.420 -27.664 1.00 0.00 WAT +ATOM 19303 H2 TIP3 4331 13.496 40.324 -28.938 1.00 0.00 WAT +ATOM 19304 OH2 TIP3 4332 21.149 40.508 -26.513 1.00 0.00 WAT +ATOM 19305 H1 TIP3 4332 20.787 40.273 -27.385 1.00 0.00 WAT +ATOM 19306 H2 TIP3 4332 22.088 40.271 -26.625 1.00 0.00 WAT +ATOM 19307 OH2 TIP3 4333 31.281 38.060 -39.971 1.00 0.00 WAT +ATOM 19308 H1 TIP3 4333 30.669 37.841 -40.701 1.00 0.00 WAT +ATOM 19309 H2 TIP3 4333 31.389 39.006 -40.176 1.00 0.00 WAT +ATOM 19310 OH2 TIP3 4334 26.684 41.826 -32.267 1.00 0.00 WAT +ATOM 19311 H1 TIP3 4334 25.764 41.815 -32.581 1.00 0.00 WAT +ATOM 19312 H2 TIP3 4334 27.149 41.331 -32.960 1.00 0.00 WAT +ATOM 19313 OH2 TIP3 4335 15.369 40.855 -41.972 1.00 0.00 WAT +ATOM 19314 H1 TIP3 4335 15.893 41.554 -41.557 1.00 0.00 WAT +ATOM 19315 H2 TIP3 4335 14.455 41.090 -41.714 1.00 0.00 WAT +ATOM 19316 OH2 TIP3 4336 15.488 35.655 -28.877 1.00 0.00 WAT +ATOM 19317 H1 TIP3 4336 14.585 35.904 -29.159 1.00 0.00 WAT +ATOM 19318 H2 TIP3 4336 15.339 34.771 -28.497 1.00 0.00 WAT +ATOM 19319 OH2 TIP3 4337 16.955 -43.936 -40.092 1.00 0.00 WAT +ATOM 19320 H1 TIP3 4337 16.046 -43.577 -40.041 1.00 0.00 WAT +ATOM 19321 H2 TIP3 4337 17.433 -43.158 -40.412 1.00 0.00 WAT +ATOM 19322 OH2 TIP3 4338 24.462 35.490 -30.349 1.00 0.00 WAT +ATOM 19323 H1 TIP3 4338 25.084 35.748 -29.654 1.00 0.00 WAT +ATOM 19324 H2 TIP3 4338 23.975 34.748 -29.940 1.00 0.00 WAT +ATOM 19325 OH2 TIP3 4339 25.066 35.031 -39.211 1.00 0.00 WAT +ATOM 19326 H1 TIP3 4339 25.383 35.517 -39.990 1.00 0.00 WAT +ATOM 19327 H2 TIP3 4339 25.592 35.428 -38.500 1.00 0.00 WAT +ATOM 19328 OH2 TIP3 4340 22.520 36.956 -38.146 1.00 0.00 WAT +ATOM 19329 H1 TIP3 4340 23.320 37.490 -37.982 1.00 0.00 WAT +ATOM 19330 H2 TIP3 4340 22.217 36.765 -37.237 1.00 0.00 WAT +ATOM 19331 OH2 TIP3 4341 22.930 37.919 -28.981 1.00 0.00 WAT +ATOM 19332 H1 TIP3 4341 22.958 38.399 -28.138 1.00 0.00 WAT +ATOM 19333 H2 TIP3 4341 23.399 37.104 -28.758 1.00 0.00 WAT +ATOM 19334 OH2 TIP3 4342 23.137 33.954 -37.246 1.00 0.00 WAT +ATOM 19335 H1 TIP3 4342 22.944 34.632 -36.571 1.00 0.00 WAT +ATOM 19336 H2 TIP3 4342 23.856 34.389 -37.747 1.00 0.00 WAT +ATOM 19337 OH2 TIP3 4343 18.859 35.017 -40.797 1.00 0.00 WAT +ATOM 19338 H1 TIP3 4343 18.772 35.733 -40.145 1.00 0.00 WAT +ATOM 19339 H2 TIP3 4343 19.612 34.517 -40.432 1.00 0.00 WAT +ATOM 19340 OH2 TIP3 4344 29.167 35.848 -28.100 1.00 0.00 WAT +ATOM 19341 H1 TIP3 4344 28.208 35.973 -28.249 1.00 0.00 WAT +ATOM 19342 H2 TIP3 4344 29.416 35.606 -29.005 1.00 0.00 WAT +ATOM 19343 OH2 TIP3 4345 27.679 39.686 -34.151 1.00 0.00 WAT +ATOM 19344 H1 TIP3 4345 26.845 39.226 -34.347 1.00 0.00 WAT +ATOM 19345 H2 TIP3 4345 28.165 39.012 -33.627 1.00 0.00 WAT +ATOM 19346 OH2 TIP3 4346 15.457 38.078 -42.581 1.00 0.00 WAT +ATOM 19347 H1 TIP3 4346 15.575 39.033 -42.398 1.00 0.00 WAT +ATOM 19348 H2 TIP3 4346 14.534 38.065 -42.891 1.00 0.00 WAT +ATOM 19349 OH2 TIP3 4347 16.331 33.030 -33.708 1.00 0.00 WAT +ATOM 19350 H1 TIP3 4347 16.124 33.028 -34.665 1.00 0.00 WAT +ATOM 19351 H2 TIP3 4347 15.962 32.179 -33.406 1.00 0.00 WAT +ATOM 19352 OH2 TIP3 4348 14.796 43.066 -25.656 1.00 0.00 WAT +ATOM 19353 H1 TIP3 4348 14.575 42.117 -25.636 1.00 0.00 WAT +ATOM 19354 H2 TIP3 4348 13.986 43.505 -25.930 1.00 0.00 WAT +ATOM 19355 OH2 TIP3 4349 20.717 43.285 -26.119 1.00 0.00 WAT +ATOM 19356 H1 TIP3 4349 20.715 43.462 -27.081 1.00 0.00 WAT +ATOM 19357 H2 TIP3 4349 21.035 42.360 -26.094 1.00 0.00 WAT +ATOM 19358 OH2 TIP3 4350 26.717 -43.760 -28.370 1.00 0.00 WAT +ATOM 19359 H1 TIP3 4350 27.501 -43.314 -28.719 1.00 0.00 WAT +ATOM 19360 H2 TIP3 4350 26.023 -43.127 -28.596 1.00 0.00 WAT +ATOM 19361 OH2 TIP3 4351 15.363 40.234 -25.923 1.00 0.00 WAT +ATOM 19362 H1 TIP3 4351 16.148 39.663 -25.996 1.00 0.00 WAT +ATOM 19363 H2 TIP3 4351 15.384 40.454 -24.973 1.00 0.00 WAT +ATOM 19364 OH2 TIP3 4352 20.000 41.556 -40.816 1.00 0.00 WAT +ATOM 19365 H1 TIP3 4352 19.266 41.219 -40.285 1.00 0.00 WAT +ATOM 19366 H2 TIP3 4352 20.142 40.832 -41.452 1.00 0.00 WAT +ATOM 19367 OH2 TIP3 4353 19.120 39.342 -28.504 1.00 0.00 WAT +ATOM 19368 H1 TIP3 4353 18.522 40.100 -28.366 1.00 0.00 WAT +ATOM 19369 H2 TIP3 4353 19.721 39.691 -29.184 1.00 0.00 WAT +ATOM 19370 OH2 TIP3 4354 21.057 39.571 -42.692 1.00 0.00 WAT +ATOM 19371 H1 TIP3 4354 21.030 39.472 -43.653 1.00 0.00 WAT +ATOM 19372 H2 TIP3 4354 22.019 39.648 -42.529 1.00 0.00 WAT +ATOM 19373 OH2 TIP3 4355 24.444 42.163 -24.930 1.00 0.00 WAT +ATOM 19374 H1 TIP3 4355 25.255 41.918 -25.390 1.00 0.00 WAT +ATOM 19375 H2 TIP3 4355 24.024 41.314 -24.765 1.00 0.00 WAT +ATOM 19376 OH2 TIP3 4356 19.678 36.636 -27.419 1.00 0.00 WAT +ATOM 19377 H1 TIP3 4356 19.728 35.977 -28.135 1.00 0.00 WAT +ATOM 19378 H2 TIP3 4356 19.459 37.446 -27.913 1.00 0.00 WAT +ATOM 19379 OH2 TIP3 4357 20.001 35.099 -29.975 1.00 0.00 WAT +ATOM 19380 H1 TIP3 4357 20.514 35.629 -30.614 1.00 0.00 WAT +ATOM 19381 H2 TIP3 4357 19.088 35.142 -30.329 1.00 0.00 WAT +ATOM 19382 OH2 TIP3 4358 21.511 40.676 -29.656 1.00 0.00 WAT +ATOM 19383 H1 TIP3 4358 22.344 40.560 -30.141 1.00 0.00 WAT +ATOM 19384 H2 TIP3 4358 21.143 41.479 -30.063 1.00 0.00 WAT +ATOM 19385 OH2 TIP3 4359 26.154 38.499 -24.784 1.00 0.00 WAT +ATOM 19386 H1 TIP3 4359 26.322 37.552 -24.655 1.00 0.00 WAT +ATOM 19387 H2 TIP3 4359 27.056 38.843 -24.865 1.00 0.00 WAT +ATOM 19388 OH2 TIP3 4360 27.084 41.382 -26.401 1.00 0.00 WAT +ATOM 19389 H1 TIP3 4360 26.853 42.091 -27.045 1.00 0.00 WAT +ATOM 19390 H2 TIP3 4360 27.976 41.158 -26.719 1.00 0.00 WAT +ATOM 19391 OH2 TIP3 4361 17.821 38.503 -25.617 1.00 0.00 WAT +ATOM 19392 H1 TIP3 4361 17.320 37.666 -25.636 1.00 0.00 WAT +ATOM 19393 H2 TIP3 4361 18.642 38.247 -26.063 1.00 0.00 WAT +ATOM 19394 OH2 TIP3 4362 20.717 32.431 -29.613 1.00 0.00 WAT +ATOM 19395 H1 TIP3 4362 20.545 33.383 -29.778 1.00 0.00 WAT +ATOM 19396 H2 TIP3 4362 20.018 32.016 -30.152 1.00 0.00 WAT +ATOM 19397 OH2 TIP3 4363 21.994 37.018 -25.836 1.00 0.00 WAT +ATOM 19398 H1 TIP3 4363 21.639 36.809 -24.954 1.00 0.00 WAT +ATOM 19399 H2 TIP3 4363 21.199 36.819 -26.375 1.00 0.00 WAT +ATOM 19400 OH2 TIP3 4364 24.524 36.077 -26.953 1.00 0.00 WAT +ATOM 19401 H1 TIP3 4364 23.639 36.117 -26.544 1.00 0.00 WAT +ATOM 19402 H2 TIP3 4364 24.976 35.427 -26.381 1.00 0.00 WAT +ATOM 19403 OH2 TIP3 4365 26.385 34.541 -25.232 1.00 0.00 WAT +ATOM 19404 H1 TIP3 4365 26.221 33.588 -25.085 1.00 0.00 WAT +ATOM 19405 H2 TIP3 4365 26.183 34.939 -24.365 1.00 0.00 WAT +ATOM 19406 OH2 TIP3 4366 16.550 35.942 -25.779 1.00 0.00 WAT +ATOM 19407 H1 TIP3 4366 16.460 35.248 -26.452 1.00 0.00 WAT +ATOM 19408 H2 TIP3 4366 16.311 35.460 -24.966 1.00 0.00 WAT +ATOM 19409 OH2 TIP3 4367 20.558 31.922 -26.796 1.00 0.00 WAT +ATOM 19410 H1 TIP3 4367 21.150 31.154 -26.746 1.00 0.00 WAT +ATOM 19411 H2 TIP3 4367 20.529 32.069 -27.762 1.00 0.00 WAT +ATOM 19412 OH2 TIP3 4368 21.506 33.791 -24.948 1.00 0.00 WAT +ATOM 19413 H1 TIP3 4368 21.200 33.195 -25.663 1.00 0.00 WAT +ATOM 19414 H2 TIP3 4368 20.812 34.468 -24.928 1.00 0.00 WAT +ATOM 19415 OH2 TIP3 4369 30.910 43.633 -38.919 1.00 0.00 WAT +ATOM 19416 H1 TIP3 4369 31.855 43.626 -39.108 1.00 0.00 WAT +ATOM 19417 H2 TIP3 4369 30.750 42.767 -38.512 1.00 0.00 WAT +ATOM 19418 OH2 TIP3 4370 31.267 41.299 -37.319 1.00 0.00 WAT +ATOM 19419 H1 TIP3 4370 30.481 40.861 -36.932 1.00 0.00 WAT +ATOM 19420 H2 TIP3 4370 31.803 41.512 -36.537 1.00 0.00 WAT +ATOM 19421 OH2 TIP3 4371 31.440 41.069 -41.061 1.00 0.00 WAT +ATOM 19422 H1 TIP3 4371 30.812 41.375 -41.732 1.00 0.00 WAT +ATOM 19423 H2 TIP3 4371 31.287 41.722 -40.370 1.00 0.00 WAT +ATOM 19424 OH2 TIP3 4372 29.678 38.492 -42.113 1.00 0.00 WAT +ATOM 19425 H1 TIP3 4372 29.952 39.181 -42.737 1.00 0.00 WAT +ATOM 19426 H2 TIP3 4372 29.955 37.691 -42.569 1.00 0.00 WAT +ATOM 19427 OH2 TIP3 4373 29.003 39.664 -36.573 1.00 0.00 WAT +ATOM 19428 H1 TIP3 4373 28.973 38.704 -36.721 1.00 0.00 WAT +ATOM 19429 H2 TIP3 4373 28.635 39.734 -35.665 1.00 0.00 WAT +ATOM 19430 OH2 TIP3 4374 13.868 41.886 -32.595 1.00 0.00 WAT +ATOM 19431 H1 TIP3 4374 13.947 42.026 -33.552 1.00 0.00 WAT +ATOM 19432 H2 TIP3 4374 14.773 41.600 -32.351 1.00 0.00 WAT +ATOM 19433 OH2 TIP3 4375 29.854 41.608 -27.348 1.00 0.00 WAT +ATOM 19434 H1 TIP3 4375 30.588 41.008 -27.114 1.00 0.00 WAT +ATOM 19435 H2 TIP3 4375 30.284 42.445 -27.600 1.00 0.00 WAT +ATOM 19436 OH2 TIP3 4376 31.267 39.653 -26.157 1.00 0.00 WAT +ATOM 19437 H1 TIP3 4376 30.465 39.135 -26.388 1.00 0.00 WAT +ATOM 19438 H2 TIP3 4376 31.949 38.955 -26.150 1.00 0.00 WAT +ATOM 19439 OH2 TIP3 4377 28.873 35.496 -43.207 1.00 0.00 WAT +ATOM 19440 H1 TIP3 4377 29.510 35.006 -42.672 1.00 0.00 WAT +ATOM 19441 H2 TIP3 4377 28.083 34.926 -43.199 1.00 0.00 WAT +ATOM 19442 OH2 TIP3 4378 28.909 37.102 -38.353 1.00 0.00 WAT +ATOM 19443 H1 TIP3 4378 29.160 36.154 -38.285 1.00 0.00 WAT +ATOM 19444 H2 TIP3 4378 29.728 37.470 -38.728 1.00 0.00 WAT +ATOM 19445 OH2 TIP3 4379 29.190 37.711 -32.896 1.00 0.00 WAT +ATOM 19446 H1 TIP3 4379 30.168 37.762 -32.916 1.00 0.00 WAT +ATOM 19447 H2 TIP3 4379 29.045 37.698 -31.937 1.00 0.00 WAT +ATOM 19448 OH2 TIP3 4380 29.384 38.375 -30.034 1.00 0.00 WAT +ATOM 19449 H1 TIP3 4380 28.508 38.747 -29.824 1.00 0.00 WAT +ATOM 19450 H2 TIP3 4380 29.879 39.172 -30.308 1.00 0.00 WAT +ATOM 19451 OH2 TIP3 4381 13.850 37.164 -26.358 1.00 0.00 WAT +ATOM 19452 H1 TIP3 4381 14.786 36.902 -26.379 1.00 0.00 WAT +ATOM 19453 H2 TIP3 4381 13.409 36.297 -26.326 1.00 0.00 WAT +ATOM 19454 OH2 TIP3 4382 31.916 32.531 -24.779 1.00 0.00 WAT +ATOM 19455 H1 TIP3 4382 32.339 31.837 -25.320 1.00 0.00 WAT +ATOM 19456 H2 TIP3 4382 31.964 33.305 -25.372 1.00 0.00 WAT +ATOM 19457 OH2 TIP3 4383 29.382 34.341 -38.322 1.00 0.00 WAT +ATOM 19458 H1 TIP3 4383 29.610 33.951 -37.457 1.00 0.00 WAT +ATOM 19459 H2 TIP3 4383 28.629 33.781 -38.597 1.00 0.00 WAT +ATOM 19460 OH2 TIP3 4384 14.639 35.470 -33.615 1.00 0.00 WAT +ATOM 19461 H1 TIP3 4384 15.091 34.617 -33.510 1.00 0.00 WAT +ATOM 19462 H2 TIP3 4384 15.305 36.079 -33.244 1.00 0.00 WAT +ATOM 19463 OH2 TIP3 4385 13.199 38.133 -32.497 1.00 0.00 WAT +ATOM 19464 H1 TIP3 4385 13.736 38.123 -33.305 1.00 0.00 WAT +ATOM 19465 H2 TIP3 4385 13.498 38.951 -32.080 1.00 0.00 WAT +ATOM 19466 OH2 TIP3 4386 31.308 34.596 -26.537 1.00 0.00 WAT +ATOM 19467 H1 TIP3 4386 30.418 34.991 -26.511 1.00 0.00 WAT +ATOM 19468 H2 TIP3 4386 31.213 34.026 -27.323 1.00 0.00 WAT +ATOM 19469 OH2 TIP3 4387 31.429 34.761 -41.795 1.00 0.00 WAT +ATOM 19470 H1 TIP3 4387 31.744 33.982 -42.265 1.00 0.00 WAT +ATOM 19471 H2 TIP3 4387 32.265 35.237 -41.641 1.00 0.00 WAT +ATOM 19472 OH2 TIP3 4388 13.673 34.475 -38.527 1.00 0.00 WAT +ATOM 19473 H1 TIP3 4388 12.715 34.505 -38.703 1.00 0.00 WAT +ATOM 19474 H2 TIP3 4388 14.035 35.088 -39.195 1.00 0.00 WAT +ATOM 19475 OH2 TIP3 4389 13.715 33.368 -30.345 1.00 0.00 WAT +ATOM 19476 H1 TIP3 4389 12.999 33.101 -29.755 1.00 0.00 WAT +ATOM 19477 H2 TIP3 4389 13.226 33.906 -30.999 1.00 0.00 WAT +ATOM 19478 OH2 TIP3 4390 30.161 32.804 -28.545 1.00 0.00 WAT +ATOM 19479 H1 TIP3 4390 29.360 32.988 -29.066 1.00 0.00 WAT +ATOM 19480 H2 TIP3 4390 30.392 31.906 -28.866 1.00 0.00 WAT +ATOM 19481 OH2 TIP3 4391 23.602 34.296 -34.093 1.00 0.00 WAT +ATOM 19482 H1 TIP3 4391 22.911 33.621 -33.952 1.00 0.00 WAT +ATOM 19483 H2 TIP3 4391 24.214 33.832 -34.688 1.00 0.00 WAT +ATOM 19484 OH2 TIP3 4392 28.573 32.332 -33.623 1.00 0.00 WAT +ATOM 19485 H1 TIP3 4392 29.330 32.767 -34.049 1.00 0.00 WAT +ATOM 19486 H2 TIP3 4392 27.825 32.619 -34.172 1.00 0.00 WAT +ATOM 19487 OH2 TIP3 4393 30.665 33.385 -35.877 1.00 0.00 WAT +ATOM 19488 H1 TIP3 4393 31.481 33.036 -36.269 1.00 0.00 WAT +ATOM 19489 H2 TIP3 4393 30.948 34.291 -35.655 1.00 0.00 WAT +ATOM 19490 OH2 TIP3 4394 15.966 33.018 -36.528 1.00 0.00 WAT +ATOM 19491 H1 TIP3 4394 15.103 32.902 -36.972 1.00 0.00 WAT +ATOM 19492 H2 TIP3 4394 16.376 32.149 -36.685 1.00 0.00 WAT +ATOM 19493 OH2 TIP3 4395 14.746 32.562 -40.811 1.00 0.00 WAT +ATOM 19494 H1 TIP3 4395 15.324 33.215 -41.266 1.00 0.00 WAT +ATOM 19495 H2 TIP3 4395 14.391 33.100 -40.082 1.00 0.00 WAT +ATOM 19496 OH2 TIP3 4396 20.429 32.820 -36.660 1.00 0.00 WAT +ATOM 19497 H1 TIP3 4396 21.333 33.148 -36.794 1.00 0.00 WAT +ATOM 19498 H2 TIP3 4396 20.395 32.762 -35.697 1.00 0.00 WAT +ATOM 19499 OH2 TIP3 4397 26.010 32.889 -35.243 1.00 0.00 WAT +ATOM 19500 H1 TIP3 4397 26.279 32.744 -36.160 1.00 0.00 WAT +ATOM 19501 H2 TIP3 4397 25.640 32.020 -35.001 1.00 0.00 WAT +ATOM 19502 OH2 TIP3 4398 27.064 32.852 -39.188 1.00 0.00 WAT +ATOM 19503 H1 TIP3 4398 26.281 33.325 -39.516 1.00 0.00 WAT +ATOM 19504 H2 TIP3 4398 26.738 31.934 -39.172 1.00 0.00 WAT +ATOM 19505 OH2 TIP3 4399 16.416 34.271 -42.303 1.00 0.00 WAT +ATOM 19506 H1 TIP3 4399 16.998 33.709 -42.831 1.00 0.00 WAT +ATOM 19507 H2 TIP3 4399 17.063 34.802 -41.806 1.00 0.00 WAT +ATOM 19508 OH2 TIP3 4400 21.532 34.452 -39.593 1.00 0.00 WAT +ATOM 19509 H1 TIP3 4400 21.944 33.941 -38.878 1.00 0.00 WAT +ATOM 19510 H2 TIP3 4400 21.758 35.348 -39.301 1.00 0.00 WAT +ATOM 19511 OH2 TIP3 4401 15.742 33.239 -26.996 1.00 0.00 WAT +ATOM 19512 H1 TIP3 4401 15.355 32.416 -26.648 1.00 0.00 WAT +ATOM 19513 H2 TIP3 4401 16.672 33.125 -26.738 1.00 0.00 WAT +ATOM 19514 OH2 TIP3 4402 18.131 32.635 -25.266 1.00 0.00 WAT +ATOM 19515 H1 TIP3 4402 18.952 32.288 -25.670 1.00 0.00 WAT +ATOM 19516 H2 TIP3 4402 17.787 31.835 -24.837 1.00 0.00 WAT +ATOM 19517 OH2 TIP3 4403 26.258 31.743 -25.101 1.00 0.00 WAT +ATOM 19518 H1 TIP3 4403 26.289 31.327 -24.218 1.00 0.00 WAT +ATOM 19519 H2 TIP3 4403 27.197 31.710 -25.361 1.00 0.00 WAT +ATOM 19520 OH2 TIP3 4404 41.849 40.776 -33.214 1.00 0.00 WAT +ATOM 19521 H1 TIP3 4404 42.539 41.068 -32.589 1.00 0.00 WAT +ATOM 19522 H2 TIP3 4404 42.385 40.751 -34.014 1.00 0.00 WAT +ATOM 19523 OH2 TIP3 4405 35.225 40.823 -31.621 1.00 0.00 WAT +ATOM 19524 H1 TIP3 4405 35.117 40.076 -31.004 1.00 0.00 WAT +ATOM 19525 H2 TIP3 4405 35.816 41.391 -31.106 1.00 0.00 WAT +ATOM 19526 OH2 TIP3 4406 32.802 38.880 -37.583 1.00 0.00 WAT +ATOM 19527 H1 TIP3 4406 32.308 39.717 -37.560 1.00 0.00 WAT +ATOM 19528 H2 TIP3 4406 32.174 38.302 -38.038 1.00 0.00 WAT +ATOM 19529 OH2 TIP3 4407 33.804 41.373 -35.719 1.00 0.00 WAT +ATOM 19530 H1 TIP3 4407 33.736 40.537 -35.216 1.00 0.00 WAT +ATOM 19531 H2 TIP3 4407 34.482 41.122 -36.359 1.00 0.00 WAT +ATOM 19532 OH2 TIP3 4408 37.953 36.221 -34.975 1.00 0.00 WAT +ATOM 19533 H1 TIP3 4408 37.656 36.858 -35.654 1.00 0.00 WAT +ATOM 19534 H2 TIP3 4408 37.568 35.401 -35.343 1.00 0.00 WAT +ATOM 19535 OH2 TIP3 4409 34.142 38.784 -34.532 1.00 0.00 WAT +ATOM 19536 H1 TIP3 4409 34.753 38.246 -33.998 1.00 0.00 WAT +ATOM 19537 H2 TIP3 4409 34.160 38.296 -35.375 1.00 0.00 WAT +ATOM 19538 OH2 TIP3 4410 36.285 34.891 -30.916 1.00 0.00 WAT +ATOM 19539 H1 TIP3 4410 35.765 35.248 -31.650 1.00 0.00 WAT +ATOM 19540 H2 TIP3 4410 35.636 34.978 -30.190 1.00 0.00 WAT +ATOM 19541 OH2 TIP3 4411 38.689 42.640 -31.092 1.00 0.00 WAT +ATOM 19542 H1 TIP3 4411 37.957 43.264 -31.229 1.00 0.00 WAT +ATOM 19543 H2 TIP3 4411 39.438 43.250 -31.151 1.00 0.00 WAT +ATOM 19544 OH2 TIP3 4412 35.924 36.921 -33.132 1.00 0.00 WAT +ATOM 19545 H1 TIP3 4412 36.571 37.423 -32.598 1.00 0.00 WAT +ATOM 19546 H2 TIP3 4412 36.516 36.457 -33.756 1.00 0.00 WAT +ATOM 19547 OH2 TIP3 4413 40.315 32.368 -33.634 1.00 0.00 WAT +ATOM 19548 H1 TIP3 4413 40.095 31.419 -33.706 1.00 0.00 WAT +ATOM 19549 H2 TIP3 4413 39.440 32.733 -33.395 1.00 0.00 WAT +ATOM 19550 OH2 TIP3 4414 42.660 41.221 -39.116 1.00 0.00 WAT +ATOM 19551 H1 TIP3 4414 41.983 41.884 -39.361 1.00 0.00 WAT +ATOM 19552 H2 TIP3 4414 43.322 41.403 -39.787 1.00 0.00 WAT +ATOM 19553 OH2 TIP3 4415 42.909 39.672 -41.954 1.00 0.00 WAT +ATOM 19554 H1 TIP3 4415 43.731 39.665 -41.445 1.00 0.00 WAT +ATOM 19555 H2 TIP3 4415 42.968 38.875 -42.483 1.00 0.00 WAT +ATOM 19556 OH2 TIP3 4416 37.787 41.804 -35.955 1.00 0.00 WAT +ATOM 19557 H1 TIP3 4416 37.499 41.826 -36.886 1.00 0.00 WAT +ATOM 19558 H2 TIP3 4416 38.305 40.993 -35.957 1.00 0.00 WAT +ATOM 19559 OH2 TIP3 4417 38.478 40.611 -32.917 1.00 0.00 WAT +ATOM 19560 H1 TIP3 4417 38.981 41.087 -33.585 1.00 0.00 WAT +ATOM 19561 H2 TIP3 4417 38.424 41.301 -32.220 1.00 0.00 WAT +ATOM 19562 OH2 TIP3 4418 35.964 41.493 -28.869 1.00 0.00 WAT +ATOM 19563 H1 TIP3 4418 36.092 42.112 -28.113 1.00 0.00 WAT +ATOM 19564 H2 TIP3 4418 34.996 41.392 -28.847 1.00 0.00 WAT +ATOM 19565 OH2 TIP3 4419 36.432 40.897 -38.489 1.00 0.00 WAT +ATOM 19566 H1 TIP3 4419 36.283 41.655 -39.096 1.00 0.00 WAT +ATOM 19567 H2 TIP3 4419 35.891 40.208 -38.896 1.00 0.00 WAT +ATOM 19568 OH2 TIP3 4420 32.495 43.101 -29.812 1.00 0.00 WAT +ATOM 19569 H1 TIP3 4420 32.424 42.913 -30.761 1.00 0.00 WAT +ATOM 19570 H2 TIP3 4420 32.752 42.231 -29.449 1.00 0.00 WAT +ATOM 19571 OH2 TIP3 4421 37.586 33.321 -33.098 1.00 0.00 WAT +ATOM 19572 H1 TIP3 4421 36.805 33.310 -33.706 1.00 0.00 WAT +ATOM 19573 H2 TIP3 4421 37.286 33.963 -32.436 1.00 0.00 WAT +ATOM 19574 OH2 TIP3 4422 42.330 32.830 -28.638 1.00 0.00 WAT +ATOM 19575 H1 TIP3 4422 42.457 32.121 -27.991 1.00 0.00 WAT +ATOM 19576 H2 TIP3 4422 41.412 32.651 -28.929 1.00 0.00 WAT +ATOM 19577 OH2 TIP3 4423 42.073 35.726 -42.135 1.00 0.00 WAT +ATOM 19578 H1 TIP3 4423 41.621 35.376 -41.360 1.00 0.00 WAT +ATOM 19579 H2 TIP3 4423 42.301 34.907 -42.605 1.00 0.00 WAT +ATOM 19580 OH2 TIP3 4424 37.796 38.246 -31.519 1.00 0.00 WAT +ATOM 19581 H1 TIP3 4424 37.184 38.287 -30.760 1.00 0.00 WAT +ATOM 19582 H2 TIP3 4424 37.836 39.181 -31.807 1.00 0.00 WAT +ATOM 19583 OH2 TIP3 4425 37.986 38.572 -36.451 1.00 0.00 WAT +ATOM 19584 H1 TIP3 4425 37.023 38.568 -36.588 1.00 0.00 WAT +ATOM 19585 H2 TIP3 4425 38.277 38.379 -37.370 1.00 0.00 WAT +ATOM 19586 OH2 TIP3 4426 42.629 38.755 -37.149 1.00 0.00 WAT +ATOM 19587 H1 TIP3 4426 42.659 39.628 -37.575 1.00 0.00 WAT +ATOM 19588 H2 TIP3 4426 43.565 38.515 -37.057 1.00 0.00 WAT +ATOM 19589 OH2 TIP3 4427 42.543 39.225 -25.975 1.00 0.00 WAT +ATOM 19590 H1 TIP3 4427 41.976 38.425 -26.012 1.00 0.00 WAT +ATOM 19591 H2 TIP3 4427 43.404 38.817 -26.189 1.00 0.00 WAT +ATOM 19592 OH2 TIP3 4428 35.207 38.417 -29.691 1.00 0.00 WAT +ATOM 19593 H1 TIP3 4428 35.397 38.759 -28.811 1.00 0.00 WAT +ATOM 19594 H2 TIP3 4428 34.821 37.547 -29.481 1.00 0.00 WAT +ATOM 19595 OH2 TIP3 4429 38.883 35.784 -43.231 1.00 0.00 WAT +ATOM 19596 H1 TIP3 4429 38.621 35.596 -42.311 1.00 0.00 WAT +ATOM 19597 H2 TIP3 4429 38.154 36.367 -43.509 1.00 0.00 WAT +ATOM 19598 OH2 TIP3 4430 32.134 35.959 -35.875 1.00 0.00 WAT +ATOM 19599 H1 TIP3 4430 32.775 35.690 -35.204 1.00 0.00 WAT +ATOM 19600 H2 TIP3 4430 32.479 35.532 -36.681 1.00 0.00 WAT +ATOM 19601 OH2 TIP3 4431 33.551 36.312 -40.445 1.00 0.00 WAT +ATOM 19602 H1 TIP3 4431 34.136 36.829 -41.030 1.00 0.00 WAT +ATOM 19603 H2 TIP3 4431 32.905 36.984 -40.167 1.00 0.00 WAT +ATOM 19604 OH2 TIP3 4432 43.487 39.620 -30.271 1.00 0.00 WAT +ATOM 19605 H1 TIP3 4432 43.705 38.981 -30.977 1.00 0.00 WAT +ATOM 19606 H2 TIP3 4432 42.738 39.161 -29.857 1.00 0.00 WAT +ATOM 19607 OH2 TIP3 4433 35.255 37.219 -36.894 1.00 0.00 WAT +ATOM 19608 H1 TIP3 4433 34.388 37.380 -37.300 1.00 0.00 WAT +ATOM 19609 H2 TIP3 4433 35.507 36.358 -37.284 1.00 0.00 WAT +ATOM 19610 OH2 TIP3 4434 38.681 37.765 -39.089 1.00 0.00 WAT +ATOM 19611 H1 TIP3 4434 39.628 37.582 -39.191 1.00 0.00 WAT +ATOM 19612 H2 TIP3 4434 38.422 38.111 -39.963 1.00 0.00 WAT +ATOM 19613 OH2 TIP3 4435 37.310 38.677 -41.563 1.00 0.00 WAT +ATOM 19614 H1 TIP3 4435 36.702 38.180 -42.133 1.00 0.00 WAT +ATOM 19615 H2 TIP3 4435 38.042 38.888 -42.164 1.00 0.00 WAT +ATOM 19616 OH2 TIP3 4436 36.067 43.142 -26.762 1.00 0.00 WAT +ATOM 19617 H1 TIP3 4436 36.663 43.631 -26.159 1.00 0.00 WAT +ATOM 19618 H2 TIP3 4436 35.282 43.047 -26.185 1.00 0.00 WAT +ATOM 19619 OH2 TIP3 4437 36.824 34.819 -37.801 1.00 0.00 WAT +ATOM 19620 H1 TIP3 4437 36.298 34.185 -37.276 1.00 0.00 WAT +ATOM 19621 H2 TIP3 4437 37.660 34.349 -37.893 1.00 0.00 WAT +ATOM 19622 OH2 TIP3 4438 40.391 37.133 -31.786 1.00 0.00 WAT +ATOM 19623 H1 TIP3 4438 39.676 37.579 -31.297 1.00 0.00 WAT +ATOM 19624 H2 TIP3 4438 41.149 37.282 -31.191 1.00 0.00 WAT +ATOM 19625 OH2 TIP3 4439 40.696 43.301 -39.508 1.00 0.00 WAT +ATOM 19626 H1 TIP3 4439 39.950 42.876 -39.977 1.00 0.00 WAT +ATOM 19627 H2 TIP3 4439 40.428 43.253 -38.582 1.00 0.00 WAT +ATOM 19628 OH2 TIP3 4440 36.210 42.550 -33.866 1.00 0.00 WAT +ATOM 19629 H1 TIP3 4440 36.794 42.359 -34.632 1.00 0.00 WAT +ATOM 19630 H2 TIP3 4440 36.051 41.661 -33.517 1.00 0.00 WAT +ATOM 19631 OH2 TIP3 4441 33.102 40.793 -28.544 1.00 0.00 WAT +ATOM 19632 H1 TIP3 4441 33.194 40.393 -27.659 1.00 0.00 WAT +ATOM 19633 H2 TIP3 4441 32.375 40.286 -28.945 1.00 0.00 WAT +ATOM 19634 OH2 TIP3 4442 40.008 40.479 -26.491 1.00 0.00 WAT +ATOM 19635 H1 TIP3 4442 39.703 40.210 -27.372 1.00 0.00 WAT +ATOM 19636 H2 TIP3 4442 40.966 40.323 -26.553 1.00 0.00 WAT +ATOM 19637 OH2 TIP3 4443 34.221 40.857 -41.971 1.00 0.00 WAT +ATOM 19638 H1 TIP3 4443 34.764 41.548 -41.568 1.00 0.00 WAT +ATOM 19639 H2 TIP3 4443 33.315 41.107 -41.706 1.00 0.00 WAT +ATOM 19640 OH2 TIP3 4444 34.353 35.662 -28.877 1.00 0.00 WAT +ATOM 19641 H1 TIP3 4444 33.456 35.896 -29.187 1.00 0.00 WAT +ATOM 19642 H2 TIP3 4444 34.201 34.770 -28.516 1.00 0.00 WAT +ATOM 19643 OH2 TIP3 4445 35.806 -43.926 -40.067 1.00 0.00 WAT +ATOM 19644 H1 TIP3 4445 34.897 -43.566 -40.049 1.00 0.00 WAT +ATOM 19645 H2 TIP3 4445 36.287 -43.176 -40.446 1.00 0.00 WAT +ATOM 19646 OH2 TIP3 4446 43.308 35.930 -29.833 1.00 0.00 WAT +ATOM 19647 H1 TIP3 4446 43.883 35.215 -29.552 1.00 0.00 WAT +ATOM 19648 H2 TIP3 4446 42.756 35.472 -30.477 1.00 0.00 WAT +ATOM 19649 OH2 TIP3 4447 41.176 36.682 -38.033 1.00 0.00 WAT +ATOM 19650 H1 TIP3 4447 41.876 37.364 -37.942 1.00 0.00 WAT +ATOM 19651 H2 TIP3 4447 40.926 36.630 -37.109 1.00 0.00 WAT +ATOM 19652 OH2 TIP3 4448 41.689 37.911 -28.964 1.00 0.00 WAT +ATOM 19653 H1 TIP3 4448 41.864 38.296 -28.099 1.00 0.00 WAT +ATOM 19654 H2 TIP3 4448 42.312 37.155 -28.989 1.00 0.00 WAT +ATOM 19655 OH2 TIP3 4449 41.887 33.918 -36.960 1.00 0.00 WAT +ATOM 19656 H1 TIP3 4449 41.878 34.724 -36.420 1.00 0.00 WAT +ATOM 19657 H2 TIP3 4449 42.684 34.117 -37.500 1.00 0.00 WAT +ATOM 19658 OH2 TIP3 4450 37.746 35.063 -40.856 1.00 0.00 WAT +ATOM 19659 H1 TIP3 4450 37.530 35.638 -40.105 1.00 0.00 WAT +ATOM 19660 H2 TIP3 4450 38.442 34.499 -40.485 1.00 0.00 WAT +ATOM 19661 OH2 TIP3 4451 34.316 38.089 -42.607 1.00 0.00 WAT +ATOM 19662 H1 TIP3 4451 34.437 39.040 -42.413 1.00 0.00 WAT +ATOM 19663 H2 TIP3 4451 33.382 38.063 -42.874 1.00 0.00 WAT +ATOM 19664 OH2 TIP3 4452 33.602 43.063 -25.575 1.00 0.00 WAT +ATOM 19665 H1 TIP3 4452 33.489 42.100 -25.693 1.00 0.00 WAT +ATOM 19666 H2 TIP3 4452 32.843 43.446 -26.027 1.00 0.00 WAT +ATOM 19667 OH2 TIP3 4453 39.557 43.324 -26.099 1.00 0.00 WAT +ATOM 19668 H1 TIP3 4453 39.596 43.464 -27.065 1.00 0.00 WAT +ATOM 19669 H2 TIP3 4453 39.963 42.440 -26.013 1.00 0.00 WAT +ATOM 19670 OH2 TIP3 4454 34.228 40.275 -25.924 1.00 0.00 WAT +ATOM 19671 H1 TIP3 4454 34.995 39.680 -26.006 1.00 0.00 WAT +ATOM 19672 H2 TIP3 4454 34.212 40.423 -24.962 1.00 0.00 WAT +ATOM 19673 OH2 TIP3 4455 38.780 41.591 -40.794 1.00 0.00 WAT +ATOM 19674 H1 TIP3 4455 38.117 41.134 -40.262 1.00 0.00 WAT +ATOM 19675 H2 TIP3 4455 39.031 40.902 -41.432 1.00 0.00 WAT +ATOM 19676 OH2 TIP3 4456 37.995 39.344 -28.552 1.00 0.00 WAT +ATOM 19677 H1 TIP3 4456 37.403 40.091 -28.350 1.00 0.00 WAT +ATOM 19678 H2 TIP3 4456 38.583 39.731 -29.220 1.00 0.00 WAT +ATOM 19679 OH2 TIP3 4457 39.985 39.574 -42.702 1.00 0.00 WAT +ATOM 19680 H1 TIP3 4457 39.874 39.549 -43.661 1.00 0.00 WAT +ATOM 19681 H2 TIP3 4457 40.922 39.833 -42.632 1.00 0.00 WAT +ATOM 19682 OH2 TIP3 4458 42.767 41.970 -24.930 1.00 0.00 WAT +ATOM 19683 H1 TIP3 4458 43.479 41.755 -25.532 1.00 0.00 WAT +ATOM 19684 H2 TIP3 4458 42.516 41.085 -24.632 1.00 0.00 WAT +ATOM 19685 OH2 TIP3 4459 38.575 36.638 -27.395 1.00 0.00 WAT +ATOM 19686 H1 TIP3 4459 38.617 35.987 -28.118 1.00 0.00 WAT +ATOM 19687 H2 TIP3 4459 38.370 37.455 -27.881 1.00 0.00 WAT +ATOM 19688 OH2 TIP3 4460 38.895 35.150 -30.018 1.00 0.00 WAT +ATOM 19689 H1 TIP3 4460 39.335 35.630 -30.735 1.00 0.00 WAT +ATOM 19690 H2 TIP3 4460 37.967 35.098 -30.339 1.00 0.00 WAT +ATOM 19691 OH2 TIP3 4461 40.518 40.599 -29.766 1.00 0.00 WAT +ATOM 19692 H1 TIP3 4461 41.333 40.559 -30.289 1.00 0.00 WAT +ATOM 19693 H2 TIP3 4461 40.213 41.496 -29.940 1.00 0.00 WAT +ATOM 19694 OH2 TIP3 4462 36.668 38.509 -25.659 1.00 0.00 WAT +ATOM 19695 H1 TIP3 4462 36.173 37.669 -25.644 1.00 0.00 WAT +ATOM 19696 H2 TIP3 4462 37.509 38.229 -26.052 1.00 0.00 WAT +ATOM 19697 OH2 TIP3 4463 39.725 32.492 -29.614 1.00 0.00 WAT +ATOM 19698 H1 TIP3 4463 39.466 33.422 -29.772 1.00 0.00 WAT +ATOM 19699 H2 TIP3 4463 39.063 32.017 -30.157 1.00 0.00 WAT +ATOM 19700 OH2 TIP3 4464 41.033 36.943 -25.895 1.00 0.00 WAT +ATOM 19701 H1 TIP3 4464 40.690 36.700 -25.020 1.00 0.00 WAT +ATOM 19702 H2 TIP3 4464 40.267 36.705 -26.452 1.00 0.00 WAT +ATOM 19703 OH2 TIP3 4465 35.401 35.945 -25.787 1.00 0.00 WAT +ATOM 19704 H1 TIP3 4465 35.304 35.244 -26.454 1.00 0.00 WAT +ATOM 19705 H2 TIP3 4465 35.175 35.461 -24.970 1.00 0.00 WAT +ATOM 19706 OH2 TIP3 4466 39.452 31.938 -26.784 1.00 0.00 WAT +ATOM 19707 H1 TIP3 4466 40.049 31.178 -26.738 1.00 0.00 WAT +ATOM 19708 H2 TIP3 4466 39.410 32.080 -27.749 1.00 0.00 WAT +ATOM 19709 OH2 TIP3 4467 40.358 33.746 -24.851 1.00 0.00 WAT +ATOM 19710 H1 TIP3 4467 40.081 33.188 -25.605 1.00 0.00 WAT +ATOM 19711 H2 TIP3 4467 39.714 34.471 -24.882 1.00 0.00 WAT +ATOM 19712 OH2 TIP3 4468 32.743 41.873 -32.591 1.00 0.00 WAT +ATOM 19713 H1 TIP3 4468 32.808 42.004 -33.550 1.00 0.00 WAT +ATOM 19714 H2 TIP3 4468 33.651 41.602 -32.358 1.00 0.00 WAT +ATOM 19715 OH2 TIP3 4469 32.713 37.173 -26.338 1.00 0.00 WAT +ATOM 19716 H1 TIP3 4469 33.642 36.889 -26.380 1.00 0.00 WAT +ATOM 19717 H2 TIP3 4469 32.257 36.310 -26.329 1.00 0.00 WAT +ATOM 19718 OH2 TIP3 4470 33.519 35.291 -33.072 1.00 0.00 WAT +ATOM 19719 H1 TIP3 4470 33.903 34.538 -33.577 1.00 0.00 WAT +ATOM 19720 H2 TIP3 4470 34.247 35.928 -33.159 1.00 0.00 WAT +ATOM 19721 OH2 TIP3 4471 32.012 38.178 -32.530 1.00 0.00 WAT +ATOM 19722 H1 TIP3 4471 32.599 38.086 -33.296 1.00 0.00 WAT +ATOM 19723 H2 TIP3 4471 32.378 38.958 -32.099 1.00 0.00 WAT +ATOM 19724 OH2 TIP3 4472 32.425 34.651 -38.409 1.00 0.00 WAT +ATOM 19725 H1 TIP3 4472 31.520 34.542 -38.737 1.00 0.00 WAT +ATOM 19726 H2 TIP3 4472 32.893 35.062 -39.157 1.00 0.00 WAT +ATOM 19727 OH2 TIP3 4473 32.580 33.384 -30.257 1.00 0.00 WAT +ATOM 19728 H1 TIP3 4473 31.796 33.113 -29.760 1.00 0.00 WAT +ATOM 19729 H2 TIP3 4473 32.186 33.861 -31.007 1.00 0.00 WAT +ATOM 19730 OH2 TIP3 4474 42.521 34.068 -34.064 1.00 0.00 WAT +ATOM 19731 H1 TIP3 4474 41.723 33.526 -33.934 1.00 0.00 WAT +ATOM 19732 H2 TIP3 4474 42.954 33.623 -34.799 1.00 0.00 WAT +ATOM 19733 OH2 TIP3 4475 33.490 32.627 -40.897 1.00 0.00 WAT +ATOM 19734 H1 TIP3 4475 34.159 33.243 -41.269 1.00 0.00 WAT +ATOM 19735 H2 TIP3 4475 33.342 32.999 -40.015 1.00 0.00 WAT +ATOM 19736 OH2 TIP3 4476 39.299 32.935 -36.676 1.00 0.00 WAT +ATOM 19737 H1 TIP3 4476 40.260 33.108 -36.715 1.00 0.00 WAT +ATOM 19738 H2 TIP3 4476 39.168 32.761 -35.737 1.00 0.00 WAT +ATOM 19739 OH2 TIP3 4477 35.271 34.288 -42.328 1.00 0.00 WAT +ATOM 19740 H1 TIP3 4477 35.855 33.704 -42.828 1.00 0.00 WAT +ATOM 19741 H2 TIP3 4477 35.915 34.826 -41.838 1.00 0.00 WAT +ATOM 19742 OH2 TIP3 4478 40.615 34.459 -39.652 1.00 0.00 WAT +ATOM 19743 H1 TIP3 4478 40.655 33.885 -38.875 1.00 0.00 WAT +ATOM 19744 H2 TIP3 4478 40.614 35.337 -39.228 1.00 0.00 WAT +ATOM 19745 OH2 TIP3 4479 34.591 33.260 -26.957 1.00 0.00 WAT +ATOM 19746 H1 TIP3 4479 34.199 32.427 -26.640 1.00 0.00 WAT +ATOM 19747 H2 TIP3 4479 35.526 33.112 -26.745 1.00 0.00 WAT +ATOM 19748 OH2 TIP3 4480 37.001 32.637 -25.257 1.00 0.00 WAT +ATOM 19749 H1 TIP3 4480 37.822 32.283 -25.652 1.00 0.00 WAT +ATOM 19750 H2 TIP3 4480 36.638 31.837 -24.843 1.00 0.00 WAT +ATOM 19751 OH2 TIP3 4481 -31.614 -33.683 -17.411 1.00 0.00 WAT +ATOM 19752 H1 TIP3 4481 -31.590 -32.720 -17.282 1.00 0.00 WAT +ATOM 19753 H2 TIP3 4481 -32.368 -33.774 -18.009 1.00 0.00 WAT +ATOM 19754 OH2 TIP3 4482 -32.767 -34.218 -14.348 1.00 0.00 WAT +ATOM 19755 H1 TIP3 4482 -32.756 -34.767 -13.546 1.00 0.00 WAT +ATOM 19756 H2 TIP3 4482 -32.997 -34.863 -15.032 1.00 0.00 WAT +ATOM 19757 OH2 TIP3 4483 -29.127 -31.478 -16.027 1.00 0.00 WAT +ATOM 19758 H1 TIP3 4483 -29.442 -32.170 -15.432 1.00 0.00 WAT +ATOM 19759 H2 TIP3 4483 -28.694 -30.882 -15.400 1.00 0.00 WAT +ATOM 19760 OH2 TIP3 4484 -39.586 -30.034 -14.223 1.00 0.00 WAT +ATOM 19761 H1 TIP3 4484 -39.845 -30.950 -14.392 1.00 0.00 WAT +ATOM 19762 H2 TIP3 4484 -38.646 -30.137 -13.995 1.00 0.00 WAT +ATOM 19763 OH2 TIP3 4485 -41.993 -35.696 -18.553 1.00 0.00 WAT +ATOM 19764 H1 TIP3 4485 -42.601 -34.947 -18.614 1.00 0.00 WAT +ATOM 19765 H2 TIP3 4485 -42.594 -36.446 -18.449 1.00 0.00 WAT +ATOM 19766 OH2 TIP3 4486 -32.025 -26.126 -15.446 1.00 0.00 WAT +ATOM 19767 H1 TIP3 4486 -31.440 -26.825 -15.794 1.00 0.00 WAT +ATOM 19768 H2 TIP3 4486 -32.270 -26.494 -14.587 1.00 0.00 WAT +ATOM 19769 OH2 TIP3 4487 -34.265 -31.718 -13.783 1.00 0.00 WAT +ATOM 19770 H1 TIP3 4487 -33.925 -32.442 -14.338 1.00 0.00 WAT +ATOM 19771 H2 TIP3 4487 -33.453 -31.545 -13.263 1.00 0.00 WAT +ATOM 19772 OH2 TIP3 4488 -25.702 -40.178 -13.201 1.00 0.00 WAT +ATOM 19773 H1 TIP3 4488 -25.371 -39.712 -12.416 1.00 0.00 WAT +ATOM 19774 H2 TIP3 4488 -25.063 -39.865 -13.868 1.00 0.00 WAT +ATOM 19775 OH2 TIP3 4489 -30.992 -37.406 -13.258 1.00 0.00 WAT +ATOM 19776 H1 TIP3 4489 -30.773 -38.353 -13.250 1.00 0.00 WAT +ATOM 19777 H2 TIP3 4489 -31.053 -37.235 -14.212 1.00 0.00 WAT +ATOM 19778 OH2 TIP3 4490 -38.042 -39.413 -16.138 1.00 0.00 WAT +ATOM 19779 H1 TIP3 4490 -37.837 -38.574 -16.595 1.00 0.00 WAT +ATOM 19780 H2 TIP3 4490 -38.328 -39.957 -16.894 1.00 0.00 WAT +ATOM 19781 OH2 TIP3 4491 -30.108 -39.217 -17.837 1.00 0.00 WAT +ATOM 19782 H1 TIP3 4491 -29.501 -39.643 -17.197 1.00 0.00 WAT +ATOM 19783 H2 TIP3 4491 -29.475 -38.768 -18.418 1.00 0.00 WAT +ATOM 19784 OH2 TIP3 4492 -41.358 -36.264 -15.437 1.00 0.00 WAT +ATOM 19785 H1 TIP3 4492 -40.803 -36.973 -15.051 1.00 0.00 WAT +ATOM 19786 H2 TIP3 4492 -41.320 -36.516 -16.378 1.00 0.00 WAT +ATOM 19787 OH2 TIP3 4493 -36.029 -35.262 -16.114 1.00 0.00 WAT +ATOM 19788 H1 TIP3 4493 -35.256 -35.765 -15.790 1.00 0.00 WAT +ATOM 19789 H2 TIP3 4493 -36.457 -35.926 -16.687 1.00 0.00 WAT +ATOM 19790 OH2 TIP3 4494 -24.779 -38.505 -10.582 1.00 0.00 WAT +ATOM 19791 H1 TIP3 4494 -25.522 -37.962 -10.896 1.00 0.00 WAT +ATOM 19792 H2 TIP3 4494 -25.133 -38.859 -9.759 1.00 0.00 WAT +ATOM 19793 OH2 TIP3 4495 -39.160 -40.464 -12.021 1.00 0.00 WAT +ATOM 19794 H1 TIP3 4495 -39.594 -40.049 -12.778 1.00 0.00 WAT +ATOM 19795 H2 TIP3 4495 -39.850 -40.327 -11.339 1.00 0.00 WAT +ATOM 19796 OH2 TIP3 4496 -31.719 -30.840 -18.637 1.00 0.00 WAT +ATOM 19797 H1 TIP3 4496 -32.006 -31.023 -19.534 1.00 0.00 WAT +ATOM 19798 H2 TIP3 4496 -32.144 -29.985 -18.446 1.00 0.00 WAT +ATOM 19799 OH2 TIP3 4497 -36.269 -32.709 -11.921 1.00 0.00 WAT +ATOM 19800 H1 TIP3 4497 -36.983 -32.089 -11.661 1.00 0.00 WAT +ATOM 19801 H2 TIP3 4497 -35.621 -32.114 -12.342 1.00 0.00 WAT +ATOM 19802 OH2 TIP3 4498 -28.239 -40.139 -15.808 1.00 0.00 WAT +ATOM 19803 H1 TIP3 4498 -28.716 -40.591 -15.102 1.00 0.00 WAT +ATOM 19804 H2 TIP3 4498 -27.709 -39.500 -15.299 1.00 0.00 WAT +ATOM 19805 OH2 TIP3 4499 -39.669 -38.358 -14.188 1.00 0.00 WAT +ATOM 19806 H1 TIP3 4499 -38.986 -37.887 -13.664 1.00 0.00 WAT +ATOM 19807 H2 TIP3 4499 -39.100 -38.793 -14.861 1.00 0.00 WAT +ATOM 19808 OH2 TIP3 4500 -38.265 -30.808 -11.215 1.00 0.00 WAT +ATOM 19809 H1 TIP3 4500 -38.290 -29.868 -11.475 1.00 0.00 WAT +ATOM 19810 H2 TIP3 4500 -39.136 -30.901 -10.791 1.00 0.00 WAT +ATOM 19811 OH2 TIP3 4501 -41.846 -31.217 -20.238 1.00 0.00 WAT +ATOM 19812 H1 TIP3 4501 -42.634 -31.015 -20.782 1.00 0.00 WAT +ATOM 19813 H2 TIP3 4501 -41.895 -30.540 -19.540 1.00 0.00 WAT +ATOM 19814 OH2 TIP3 4502 -28.638 -29.825 -13.405 1.00 0.00 WAT +ATOM 19815 H1 TIP3 4502 -29.498 -29.399 -13.548 1.00 0.00 WAT +ATOM 19816 H2 TIP3 4502 -28.026 -29.247 -13.889 1.00 0.00 WAT +ATOM 19817 OH2 TIP3 4503 -28.084 -41.114 -11.808 1.00 0.00 WAT +ATOM 19818 H1 TIP3 4503 -28.881 -40.768 -12.243 1.00 0.00 WAT +ATOM 19819 H2 TIP3 4503 -27.409 -40.962 -12.497 1.00 0.00 WAT +ATOM 19820 OH2 TIP3 4504 -34.963 43.816 -14.729 1.00 0.00 WAT +ATOM 19821 H1 TIP3 4504 -35.007 42.854 -14.691 1.00 0.00 WAT +ATOM 19822 H2 TIP3 4504 -35.862 44.111 -14.483 1.00 0.00 WAT +ATOM 19823 OH2 TIP3 4505 -30.231 -27.722 -17.002 1.00 0.00 WAT +ATOM 19824 H1 TIP3 4505 -29.739 -28.530 -17.251 1.00 0.00 WAT +ATOM 19825 H2 TIP3 4505 -29.520 -27.055 -17.042 1.00 0.00 WAT +ATOM 19826 OH2 TIP3 4506 -28.764 -29.863 -18.377 1.00 0.00 WAT +ATOM 19827 H1 TIP3 4506 -29.300 -30.366 -19.004 1.00 0.00 WAT +ATOM 19828 H2 TIP3 4506 -28.744 -30.472 -17.615 1.00 0.00 WAT +ATOM 19829 OH2 TIP3 4507 -27.256 -31.048 -9.859 1.00 0.00 WAT +ATOM 19830 H1 TIP3 4507 -27.273 -31.666 -10.612 1.00 0.00 WAT +ATOM 19831 H2 TIP3 4507 -27.088 -30.198 -10.313 1.00 0.00 WAT +ATOM 19832 OH2 TIP3 4508 -32.970 -34.158 -20.161 1.00 0.00 WAT +ATOM 19833 H1 TIP3 4508 -33.612 -33.531 -20.544 1.00 0.00 WAT +ATOM 19834 H2 TIP3 4508 -32.230 -34.094 -20.788 1.00 0.00 WAT +ATOM 19835 OH2 TIP3 4509 -32.670 -35.954 -23.112 1.00 0.00 WAT +ATOM 19836 H1 TIP3 4509 -31.989 -35.647 -22.485 1.00 0.00 WAT +ATOM 19837 H2 TIP3 4509 -32.139 -36.529 -23.682 1.00 0.00 WAT +ATOM 19838 OH2 TIP3 4510 -25.472 -34.907 -11.931 1.00 0.00 WAT +ATOM 19839 H1 TIP3 4510 -26.138 -34.197 -11.856 1.00 0.00 WAT +ATOM 19840 H2 TIP3 4510 -24.948 -34.562 -12.690 1.00 0.00 WAT +ATOM 19841 OH2 TIP3 4511 -29.450 -34.165 -19.079 1.00 0.00 WAT +ATOM 19842 H1 TIP3 4511 -30.113 -33.934 -18.390 1.00 0.00 WAT +ATOM 19843 H2 TIP3 4511 -28.817 -34.690 -18.554 1.00 0.00 WAT +ATOM 19844 OH2 TIP3 4512 -29.612 -35.620 -10.250 1.00 0.00 WAT +ATOM 19845 H1 TIP3 4512 -29.537 -34.822 -9.700 1.00 0.00 WAT +ATOM 19846 H2 TIP3 4512 -30.222 -35.276 -10.926 1.00 0.00 WAT +ATOM 19847 OH2 TIP3 4513 -37.881 -33.344 -17.254 1.00 0.00 WAT +ATOM 19848 H1 TIP3 4513 -38.188 -33.780 -18.071 1.00 0.00 WAT +ATOM 19849 H2 TIP3 4513 -37.219 -33.979 -16.926 1.00 0.00 WAT +ATOM 19850 OH2 TIP3 4514 -36.512 -30.014 -14.552 1.00 0.00 WAT +ATOM 19851 H1 TIP3 4514 -36.551 -30.349 -15.458 1.00 0.00 WAT +ATOM 19852 H2 TIP3 4514 -35.693 -30.436 -14.223 1.00 0.00 WAT +ATOM 19853 OH2 TIP3 4515 -37.551 -34.480 -13.822 1.00 0.00 WAT +ATOM 19854 H1 TIP3 4515 -36.895 -34.583 -14.543 1.00 0.00 WAT +ATOM 19855 H2 TIP3 4515 -37.061 -33.939 -13.170 1.00 0.00 WAT +ATOM 19856 OH2 TIP3 4516 -31.535 -28.974 -13.228 1.00 0.00 WAT +ATOM 19857 H1 TIP3 4516 -31.322 -28.351 -12.513 1.00 0.00 WAT +ATOM 19858 H2 TIP3 4516 -31.546 -29.838 -12.782 1.00 0.00 WAT +ATOM 19859 OH2 TIP3 4517 -36.427 -30.262 -8.971 1.00 0.00 WAT +ATOM 19860 H1 TIP3 4517 -36.928 -29.587 -8.479 1.00 0.00 WAT +ATOM 19861 H2 TIP3 4517 -37.059 -30.501 -9.673 1.00 0.00 WAT +ATOM 19862 OH2 TIP3 4518 -30.487 -34.709 -21.616 1.00 0.00 WAT +ATOM 19863 H1 TIP3 4518 -30.020 -34.431 -20.799 1.00 0.00 WAT +ATOM 19864 H2 TIP3 4518 -29.986 -34.193 -22.295 1.00 0.00 WAT +ATOM 19865 OH2 TIP3 4519 -39.643 -33.827 -10.046 1.00 0.00 WAT +ATOM 19866 H1 TIP3 4519 -39.530 -33.293 -9.245 1.00 0.00 WAT +ATOM 19867 H2 TIP3 4519 -40.607 -33.953 -10.079 1.00 0.00 WAT +ATOM 19868 OH2 TIP3 4520 -33.072 -28.108 -18.050 1.00 0.00 WAT +ATOM 19869 H1 TIP3 4520 -32.524 -27.833 -17.304 1.00 0.00 WAT +ATOM 19870 H2 TIP3 4520 -33.520 -27.289 -18.310 1.00 0.00 WAT +ATOM 19871 OH2 TIP3 4521 -38.359 -28.080 -8.140 1.00 0.00 WAT +ATOM 19872 H1 TIP3 4521 -38.435 -28.033 -9.108 1.00 0.00 WAT +ATOM 19873 H2 TIP3 4521 -39.272 -28.262 -7.855 1.00 0.00 WAT +ATOM 19874 OH2 TIP3 4522 -27.313 -43.201 -22.408 1.00 0.00 WAT +ATOM 19875 H1 TIP3 4522 -27.702 -43.239 -21.523 1.00 0.00 WAT +ATOM 19876 H2 TIP3 4522 -26.509 -42.697 -22.211 1.00 0.00 WAT +ATOM 19877 OH2 TIP3 4523 -38.848 -34.633 -19.812 1.00 0.00 WAT +ATOM 19878 H1 TIP3 4523 -39.135 -33.860 -20.324 1.00 0.00 WAT +ATOM 19879 H2 TIP3 4523 -39.611 -35.222 -19.884 1.00 0.00 WAT +ATOM 19880 OH2 TIP3 4524 -25.660 -28.804 -23.626 1.00 0.00 WAT +ATOM 19881 H1 TIP3 4524 -25.503 -27.878 -23.354 1.00 0.00 WAT +ATOM 19882 H2 TIP3 4524 -24.804 -29.222 -23.406 1.00 0.00 WAT +ATOM 19883 OH2 TIP3 4525 -42.618 -32.103 -11.439 1.00 0.00 WAT +ATOM 19884 H1 TIP3 4525 -43.430 -31.984 -11.932 1.00 0.00 WAT +ATOM 19885 H2 TIP3 4525 -42.967 -32.540 -10.638 1.00 0.00 WAT +ATOM 19886 OH2 TIP3 4526 -42.856 -29.198 -14.151 1.00 0.00 WAT +ATOM 19887 H1 TIP3 4526 -41.906 -29.353 -14.066 1.00 0.00 WAT +ATOM 19888 H2 TIP3 4526 -43.008 -28.499 -13.504 1.00 0.00 WAT +ATOM 19889 OH2 TIP3 4527 -24.397 -28.375 -8.303 1.00 0.00 WAT +ATOM 19890 H1 TIP3 4527 -24.485 -29.300 -8.587 1.00 0.00 WAT +ATOM 19891 H2 TIP3 4527 -25.322 -28.169 -8.046 1.00 0.00 WAT +ATOM 19892 OH2 TIP3 4528 -33.779 -29.196 -9.540 1.00 0.00 WAT +ATOM 19893 H1 TIP3 4528 -33.694 -28.371 -9.021 1.00 0.00 WAT +ATOM 19894 H2 TIP3 4528 -34.677 -29.494 -9.297 1.00 0.00 WAT +ATOM 19895 OH2 TIP3 4529 -33.516 -25.367 -19.575 1.00 0.00 WAT +ATOM 19896 H1 TIP3 4529 -33.474 -25.276 -20.543 1.00 0.00 WAT +ATOM 19897 H2 TIP3 4529 -33.421 -24.452 -19.266 1.00 0.00 WAT +ATOM 19898 OH2 TIP3 4530 -39.764 -26.255 -17.943 1.00 0.00 WAT +ATOM 19899 H1 TIP3 4530 -39.527 -26.660 -17.085 1.00 0.00 WAT +ATOM 19900 H2 TIP3 4530 -40.574 -26.750 -18.145 1.00 0.00 WAT +ATOM 19901 OH2 TIP3 4531 -30.191 -25.913 -22.413 1.00 0.00 WAT +ATOM 19902 H1 TIP3 4531 -29.624 -26.570 -22.862 1.00 0.00 WAT +ATOM 19903 H2 TIP3 4531 -30.238 -26.293 -21.512 1.00 0.00 WAT +ATOM 19904 OH2 TIP3 4532 -30.793 -26.541 -19.627 1.00 0.00 WAT +ATOM 19905 H1 TIP3 4532 -31.734 -26.403 -19.429 1.00 0.00 WAT +ATOM 19906 H2 TIP3 4532 -30.576 -27.220 -18.962 1.00 0.00 WAT +ATOM 19907 OH2 TIP3 4533 -27.645 -37.097 -7.936 1.00 0.00 WAT +ATOM 19908 H1 TIP3 4533 -28.124 -36.680 -8.665 1.00 0.00 WAT +ATOM 19909 H2 TIP3 4533 -27.561 -38.016 -8.249 1.00 0.00 WAT +ATOM 19910 OH2 TIP3 4534 -40.714 -30.416 -9.755 1.00 0.00 WAT +ATOM 19911 H1 TIP3 4534 -40.372 -30.970 -9.026 1.00 0.00 WAT +ATOM 19912 H2 TIP3 4534 -41.409 -30.970 -10.149 1.00 0.00 WAT +ATOM 19913 OH2 TIP3 4535 -37.527 -42.220 -13.874 1.00 0.00 WAT +ATOM 19914 H1 TIP3 4535 -38.386 -42.308 -14.310 1.00 0.00 WAT +ATOM 19915 H2 TIP3 4535 -37.646 -41.360 -13.442 1.00 0.00 WAT +ATOM 19916 OH2 TIP3 4536 -32.905 -42.622 -10.312 1.00 0.00 WAT +ATOM 19917 H1 TIP3 4536 -32.703 -43.094 -9.499 1.00 0.00 WAT +ATOM 19918 H2 TIP3 4536 -33.854 -42.776 -10.398 1.00 0.00 WAT +ATOM 19919 OH2 TIP3 4537 -29.949 -38.639 -9.908 1.00 0.00 WAT +ATOM 19920 H1 TIP3 4537 -30.507 -38.743 -9.117 1.00 0.00 WAT +ATOM 19921 H2 TIP3 4537 -29.975 -37.680 -10.073 1.00 0.00 WAT +ATOM 19922 OH2 TIP3 4538 -28.946 -33.632 -23.623 1.00 0.00 WAT +ATOM 19923 H1 TIP3 4538 -29.127 -33.803 -24.566 1.00 0.00 WAT +ATOM 19924 H2 TIP3 4538 -28.010 -33.369 -23.657 1.00 0.00 WAT +ATOM 19925 OH2 TIP3 4539 -33.294 -39.930 -23.162 1.00 0.00 WAT +ATOM 19926 H1 TIP3 4539 -33.829 -40.036 -22.351 1.00 0.00 WAT +ATOM 19927 H2 TIP3 4539 -33.784 -40.543 -23.753 1.00 0.00 WAT +ATOM 19928 OH2 TIP3 4540 -37.674 -37.179 -12.626 1.00 0.00 WAT +ATOM 19929 H1 TIP3 4540 -38.193 -37.036 -11.818 1.00 0.00 WAT +ATOM 19930 H2 TIP3 4540 -37.565 -36.266 -12.950 1.00 0.00 WAT +ATOM 19931 OH2 TIP3 4541 -37.686 -37.095 -17.724 1.00 0.00 WAT +ATOM 19932 H1 TIP3 4541 -38.641 -37.171 -17.910 1.00 0.00 WAT +ATOM 19933 H2 TIP3 4541 -37.320 -37.262 -18.614 1.00 0.00 WAT +ATOM 19934 OH2 TIP3 4542 -32.067 -36.525 -18.981 1.00 0.00 WAT +ATOM 19935 H1 TIP3 4542 -32.468 -35.688 -19.301 1.00 0.00 WAT +ATOM 19936 H2 TIP3 4542 -31.375 -36.666 -19.646 1.00 0.00 WAT +ATOM 19937 OH2 TIP3 4543 -32.880 -36.319 -7.633 1.00 0.00 WAT +ATOM 19938 H1 TIP3 4543 -33.378 -37.070 -7.252 1.00 0.00 WAT +ATOM 19939 H2 TIP3 4543 -32.006 -36.421 -7.208 1.00 0.00 WAT +ATOM 19940 OH2 TIP3 4544 -31.227 -37.120 -16.180 1.00 0.00 WAT +ATOM 19941 H1 TIP3 4544 -31.501 -36.532 -16.912 1.00 0.00 WAT +ATOM 19942 H2 TIP3 4544 -31.005 -37.923 -16.692 1.00 0.00 WAT +ATOM 19943 OH2 TIP3 4545 -40.450 -36.849 -10.971 1.00 0.00 WAT +ATOM 19944 H1 TIP3 4545 -39.914 -36.466 -10.266 1.00 0.00 WAT +ATOM 19945 H2 TIP3 4545 -40.530 -37.781 -10.710 1.00 0.00 WAT +ATOM 19946 OH2 TIP3 4546 -36.897 -39.395 -24.202 1.00 0.00 WAT +ATOM 19947 H1 TIP3 4546 -37.233 -39.782 -23.373 1.00 0.00 WAT +ATOM 19948 H2 TIP3 4546 -37.692 -39.276 -24.732 1.00 0.00 WAT +ATOM 19949 OH2 TIP3 4547 -43.212 -39.275 -17.086 1.00 0.00 WAT +ATOM 19950 H1 TIP3 4547 -42.999 -39.642 -16.205 1.00 0.00 WAT +ATOM 19951 H2 TIP3 4547 -43.022 -40.020 -17.663 1.00 0.00 WAT +ATOM 19952 OH2 TIP3 4548 -42.133 -38.770 -21.242 1.00 0.00 WAT +ATOM 19953 H1 TIP3 4548 -41.548 -38.607 -22.010 1.00 0.00 WAT +ATOM 19954 H2 TIP3 4548 -43.002 -38.643 -21.638 1.00 0.00 WAT +ATOM 19955 OH2 TIP3 4549 -32.170 -35.447 -11.746 1.00 0.00 WAT +ATOM 19956 H1 TIP3 4549 -31.693 -36.157 -12.232 1.00 0.00 WAT +ATOM 19957 H2 TIP3 4549 -32.405 -35.898 -10.926 1.00 0.00 WAT +ATOM 19958 OH2 TIP3 4550 -34.905 -39.414 -16.747 1.00 0.00 WAT +ATOM 19959 H1 TIP3 4550 -35.830 -39.615 -16.530 1.00 0.00 WAT +ATOM 19960 H2 TIP3 4550 -34.449 -39.711 -15.941 1.00 0.00 WAT +ATOM 19961 OH2 TIP3 4551 -40.323 -38.257 -18.106 1.00 0.00 WAT +ATOM 19962 H1 TIP3 4551 -41.171 -38.207 -18.556 1.00 0.00 WAT +ATOM 19963 H2 TIP3 4551 -39.967 -39.109 -18.425 1.00 0.00 WAT +ATOM 19964 OH2 TIP3 4552 -36.718 -37.912 -20.346 1.00 0.00 WAT +ATOM 19965 H1 TIP3 4552 -35.747 -37.862 -20.290 1.00 0.00 WAT +ATOM 19966 H2 TIP3 4552 -36.939 -37.297 -21.065 1.00 0.00 WAT +ATOM 19967 OH2 TIP3 4553 -30.563 -40.329 -13.700 1.00 0.00 WAT +ATOM 19968 H1 TIP3 4553 -31.197 -40.346 -12.955 1.00 0.00 WAT +ATOM 19969 H2 TIP3 4553 -31.144 -40.627 -14.420 1.00 0.00 WAT +ATOM 19970 OH2 TIP3 4554 -38.264 -36.682 -22.608 1.00 0.00 WAT +ATOM 19971 H1 TIP3 4554 -38.815 -36.998 -23.336 1.00 0.00 WAT +ATOM 19972 H2 TIP3 4554 -37.433 -36.472 -23.070 1.00 0.00 WAT +ATOM 19973 OH2 TIP3 4555 -27.522 -24.554 -7.038 1.00 0.00 WAT +ATOM 19974 H1 TIP3 4555 -27.275 -24.120 -7.874 1.00 0.00 WAT +ATOM 19975 H2 TIP3 4555 -26.823 -24.246 -6.439 1.00 0.00 WAT +ATOM 19976 OH2 TIP3 4556 -39.524 -31.996 -7.657 1.00 0.00 WAT +ATOM 19977 H1 TIP3 4556 -38.887 -31.963 -6.911 1.00 0.00 WAT +ATOM 19978 H2 TIP3 4556 -40.359 -31.881 -7.156 1.00 0.00 WAT +ATOM 19979 OH2 TIP3 4557 -33.903 -36.940 -14.903 1.00 0.00 WAT +ATOM 19980 H1 TIP3 4557 -33.156 -37.344 -15.370 1.00 0.00 WAT +ATOM 19981 H2 TIP3 4557 -34.036 -37.563 -14.164 1.00 0.00 WAT +ATOM 19982 OH2 TIP3 4558 -38.803 -40.610 -18.664 1.00 0.00 WAT +ATOM 19983 H1 TIP3 4558 -39.208 -41.482 -18.526 1.00 0.00 WAT +ATOM 19984 H2 TIP3 4558 -37.936 -40.843 -19.031 1.00 0.00 WAT +ATOM 19985 OH2 TIP3 4559 -34.927 -38.510 -12.624 1.00 0.00 WAT +ATOM 19986 H1 TIP3 4559 -35.669 -37.887 -12.631 1.00 0.00 WAT +ATOM 19987 H2 TIP3 4559 -34.415 -38.234 -11.836 1.00 0.00 WAT +ATOM 19988 OH2 TIP3 4560 -34.789 -32.081 -20.760 1.00 0.00 WAT +ATOM 19989 H1 TIP3 4560 -35.552 -32.595 -21.096 1.00 0.00 WAT +ATOM 19990 H2 TIP3 4560 -34.967 -32.045 -19.792 1.00 0.00 WAT +ATOM 19991 OH2 TIP3 4561 -27.410 -32.824 -12.147 1.00 0.00 WAT +ATOM 19992 H1 TIP3 4561 -26.969 -32.273 -12.813 1.00 0.00 WAT +ATOM 19993 H2 TIP3 4561 -28.295 -32.918 -12.551 1.00 0.00 WAT +ATOM 19994 OH2 TIP3 4562 -30.608 -39.307 -23.135 1.00 0.00 WAT +ATOM 19995 H1 TIP3 4562 -31.590 -39.375 -23.101 1.00 0.00 WAT +ATOM 19996 H2 TIP3 4562 -30.412 -38.628 -22.458 1.00 0.00 WAT +ATOM 19997 OH2 TIP3 4563 -33.203 -32.117 -9.425 1.00 0.00 WAT +ATOM 19998 H1 TIP3 4563 -33.414 -32.381 -8.520 1.00 0.00 WAT +ATOM 19999 H2 TIP3 4563 -33.421 -31.173 -9.430 1.00 0.00 WAT +ATOM 20000 OH2 TIP3 4564 -29.955 -37.494 -20.995 1.00 0.00 WAT +ATOM 20001 H1 TIP3 4564 -29.097 -37.630 -20.544 1.00 0.00 WAT +ATOM 20002 H2 TIP3 4564 -29.854 -36.593 -21.353 1.00 0.00 WAT +ATOM 20003 OH2 TIP3 4565 -39.850 -33.141 -14.847 1.00 0.00 WAT +ATOM 20004 H1 TIP3 4565 -39.451 -32.880 -15.698 1.00 0.00 WAT +ATOM 20005 H2 TIP3 4565 -39.091 -33.628 -14.456 1.00 0.00 WAT +ATOM 20006 OH2 TIP3 4566 -32.384 -30.731 -21.834 1.00 0.00 WAT +ATOM 20007 H1 TIP3 4566 -32.634 -29.869 -21.444 1.00 0.00 WAT +ATOM 20008 H2 TIP3 4566 -33.134 -31.283 -21.547 1.00 0.00 WAT +ATOM 20009 OH2 TIP3 4567 -42.432 -34.306 -9.407 1.00 0.00 WAT +ATOM 20010 H1 TIP3 4567 -42.271 -34.906 -8.657 1.00 0.00 WAT +ATOM 20011 H2 TIP3 4567 -42.949 -34.855 -10.023 1.00 0.00 WAT +ATOM 20012 OH2 TIP3 4568 -35.423 -34.960 -7.716 1.00 0.00 WAT +ATOM 20013 H1 TIP3 4568 -35.667 -35.148 -8.637 1.00 0.00 WAT +ATOM 20014 H2 TIP3 4568 -34.480 -35.206 -7.735 1.00 0.00 WAT +ATOM 20015 OH2 TIP3 4569 -30.889 -29.554 -9.949 1.00 0.00 WAT +ATOM 20016 H1 TIP3 4569 -31.846 -29.398 -10.015 1.00 0.00 WAT +ATOM 20017 H2 TIP3 4569 -30.693 -29.234 -9.054 1.00 0.00 WAT +ATOM 20018 OH2 TIP3 4570 -25.344 -37.460 -21.182 1.00 0.00 WAT +ATOM 20019 H1 TIP3 4570 -25.911 -37.641 -21.957 1.00 0.00 WAT +ATOM 20020 H2 TIP3 4570 -25.221 -36.498 -21.306 1.00 0.00 WAT +ATOM 20021 OH2 TIP3 4571 -24.901 -31.436 -8.384 1.00 0.00 WAT +ATOM 20022 H1 TIP3 4571 -25.828 -31.182 -8.567 1.00 0.00 WAT +ATOM 20023 H2 TIP3 4571 -24.572 -31.585 -9.294 1.00 0.00 WAT +ATOM 20024 OH2 TIP3 4572 -27.245 -28.878 -21.173 1.00 0.00 WAT +ATOM 20025 H1 TIP3 4572 -27.373 -29.578 -20.515 1.00 0.00 WAT +ATOM 20026 H2 TIP3 4572 -26.556 -29.236 -21.746 1.00 0.00 WAT +ATOM 20027 OH2 TIP3 4573 -29.875 -33.515 -13.668 1.00 0.00 WAT +ATOM 20028 H1 TIP3 4573 -30.803 -33.651 -13.929 1.00 0.00 WAT +ATOM 20029 H2 TIP3 4573 -29.431 -34.222 -14.177 1.00 0.00 WAT +ATOM 20030 OH2 TIP3 4574 -37.293 -29.413 -17.637 1.00 0.00 WAT +ATOM 20031 H1 TIP3 4574 -36.837 -28.568 -17.775 1.00 0.00 WAT +ATOM 20032 H2 TIP3 4574 -38.189 -29.199 -17.926 1.00 0.00 WAT +ATOM 20033 OH2 TIP3 4575 -41.546 -34.473 -22.894 1.00 0.00 WAT +ATOM 20034 H1 TIP3 4575 -40.807 -33.924 -22.558 1.00 0.00 WAT +ATOM 20035 H2 TIP3 4575 -42.273 -33.842 -22.822 1.00 0.00 WAT +ATOM 20036 OH2 TIP3 4576 -35.445 -31.745 -18.065 1.00 0.00 WAT +ATOM 20037 H1 TIP3 4576 -35.693 -30.822 -17.902 1.00 0.00 WAT +ATOM 20038 H2 TIP3 4576 -36.157 -32.217 -17.610 1.00 0.00 WAT +ATOM 20039 OH2 TIP3 4577 -35.269 -27.461 -11.691 1.00 0.00 WAT +ATOM 20040 H1 TIP3 4577 -34.696 -26.729 -11.982 1.00 0.00 WAT +ATOM 20041 H2 TIP3 4577 -34.645 -27.979 -11.156 1.00 0.00 WAT +ATOM 20042 OH2 TIP3 4578 -36.817 -26.521 -18.446 1.00 0.00 WAT +ATOM 20043 H1 TIP3 4578 -37.771 -26.365 -18.382 1.00 0.00 WAT +ATOM 20044 H2 TIP3 4578 -36.457 -25.644 -18.215 1.00 0.00 WAT +ATOM 20045 OH2 TIP3 4579 -31.874 -31.744 -12.152 1.00 0.00 WAT +ATOM 20046 H1 TIP3 4579 -32.113 -31.992 -11.243 1.00 0.00 WAT +ATOM 20047 H2 TIP3 4579 -31.093 -32.298 -12.315 1.00 0.00 WAT +ATOM 20048 OH2 TIP3 4580 -29.711 -30.430 -23.217 1.00 0.00 WAT +ATOM 20049 H1 TIP3 4580 -29.252 -30.844 -22.463 1.00 0.00 WAT +ATOM 20050 H2 TIP3 4580 -30.627 -30.569 -22.926 1.00 0.00 WAT +ATOM 20051 OH2 TIP3 4581 -28.982 -27.116 -9.683 1.00 0.00 WAT +ATOM 20052 H1 TIP3 4581 -29.695 -27.572 -10.169 1.00 0.00 WAT +ATOM 20053 H2 TIP3 4581 -28.780 -26.366 -10.272 1.00 0.00 WAT +ATOM 20054 OH2 TIP3 4582 -24.962 -26.148 -22.676 1.00 0.00 WAT +ATOM 20055 H1 TIP3 4582 -24.257 -25.502 -22.855 1.00 0.00 WAT +ATOM 20056 H2 TIP3 4582 -25.719 -25.536 -22.625 1.00 0.00 WAT +ATOM 20057 OH2 TIP3 4583 -41.029 -39.562 -10.120 1.00 0.00 WAT +ATOM 20058 H1 TIP3 4583 -41.911 -39.160 -10.064 1.00 0.00 WAT +ATOM 20059 H2 TIP3 4583 -41.172 -40.416 -9.651 1.00 0.00 WAT +ATOM 20060 OH2 TIP3 4584 -28.735 -31.825 -20.828 1.00 0.00 WAT +ATOM 20061 H1 TIP3 4584 -28.979 -32.537 -20.212 1.00 0.00 WAT +ATOM 20062 H2 TIP3 4584 -27.766 -31.807 -20.735 1.00 0.00 WAT +ATOM 20063 OH2 TIP3 4585 -41.286 -28.009 -11.595 1.00 0.00 WAT +ATOM 20064 H1 TIP3 4585 -41.034 -28.933 -11.467 1.00 0.00 WAT +ATOM 20065 H2 TIP3 4585 -40.969 -27.623 -10.771 1.00 0.00 WAT +ATOM 20066 OH2 TIP3 4586 -35.457 -29.366 -24.638 1.00 0.00 WAT +ATOM 20067 H1 TIP3 4586 -35.143 -30.156 -25.116 1.00 0.00 WAT +ATOM 20068 H2 TIP3 4586 -35.863 -29.766 -23.851 1.00 0.00 WAT +ATOM 20069 OH2 TIP3 4587 -36.630 -29.859 -21.900 1.00 0.00 WAT +ATOM 20070 H1 TIP3 4587 -36.089 -30.380 -21.288 1.00 0.00 WAT +ATOM 20071 H2 TIP3 4587 -36.468 -28.943 -21.591 1.00 0.00 WAT +ATOM 20072 OH2 TIP3 4588 -39.887 -32.433 -21.588 1.00 0.00 WAT +ATOM 20073 H1 TIP3 4588 -40.568 -32.016 -21.008 1.00 0.00 WAT +ATOM 20074 H2 TIP3 4588 -39.369 -31.643 -21.814 1.00 0.00 WAT +ATOM 20075 OH2 TIP3 4589 -32.170 -40.067 -11.401 1.00 0.00 WAT +ATOM 20076 H1 TIP3 4589 -31.518 -39.795 -10.739 1.00 0.00 WAT +ATOM 20077 H2 TIP3 4589 -32.496 -40.919 -11.056 1.00 0.00 WAT +ATOM 20078 OH2 TIP3 4590 -31.363 -40.563 -20.261 1.00 0.00 WAT +ATOM 20079 H1 TIP3 4590 -31.281 -39.964 -21.017 1.00 0.00 WAT +ATOM 20080 H2 TIP3 4590 -30.992 -40.024 -19.543 1.00 0.00 WAT +ATOM 20081 OH2 TIP3 4591 -33.678 -28.245 -21.296 1.00 0.00 WAT +ATOM 20082 H1 TIP3 4591 -34.474 -27.724 -21.103 1.00 0.00 WAT +ATOM 20083 H2 TIP3 4591 -33.271 -27.731 -22.004 1.00 0.00 WAT +ATOM 20084 OH2 TIP3 4592 -34.034 -38.518 -19.270 1.00 0.00 WAT +ATOM 20085 H1 TIP3 4592 -33.293 -37.889 -19.141 1.00 0.00 WAT +ATOM 20086 H2 TIP3 4592 -34.321 -38.674 -18.347 1.00 0.00 WAT +ATOM 20087 OH2 TIP3 4593 -33.719 -37.616 -10.125 1.00 0.00 WAT +ATOM 20088 H1 TIP3 4593 -33.598 -37.102 -9.308 1.00 0.00 WAT +ATOM 20089 H2 TIP3 4593 -33.127 -38.366 -9.983 1.00 0.00 WAT +ATOM 20090 OH2 TIP3 4594 -33.316 -41.737 -18.284 1.00 0.00 WAT +ATOM 20091 H1 TIP3 4594 -33.636 -40.994 -17.744 1.00 0.00 WAT +ATOM 20092 H2 TIP3 4594 -32.749 -41.281 -18.932 1.00 0.00 WAT +ATOM 20093 OH2 TIP3 4595 -36.465 -27.145 -21.294 1.00 0.00 WAT +ATOM 20094 H1 TIP3 4595 -36.514 -26.330 -21.838 1.00 0.00 WAT +ATOM 20095 H2 TIP3 4595 -36.578 -26.795 -20.392 1.00 0.00 WAT +ATOM 20096 OH2 TIP3 4596 -37.756 -40.504 -21.750 1.00 0.00 WAT +ATOM 20097 H1 TIP3 4596 -37.709 -39.674 -21.240 1.00 0.00 WAT +ATOM 20098 H2 TIP3 4596 -36.880 -40.879 -21.528 1.00 0.00 WAT +ATOM 20099 OH2 TIP3 4597 -27.319 -39.627 -9.317 1.00 0.00 WAT +ATOM 20100 H1 TIP3 4597 -28.283 -39.531 -9.428 1.00 0.00 WAT +ATOM 20101 H2 TIP3 4597 -27.091 -39.865 -10.227 1.00 0.00 WAT +ATOM 20102 OH2 TIP3 4598 -28.902 -35.742 -15.222 1.00 0.00 WAT +ATOM 20103 H1 TIP3 4598 -29.714 -36.206 -15.498 1.00 0.00 WAT +ATOM 20104 H2 TIP3 4598 -28.400 -36.451 -14.763 1.00 0.00 WAT +ATOM 20105 OH2 TIP3 4599 -39.320 -29.593 -22.751 1.00 0.00 WAT +ATOM 20106 H1 TIP3 4599 -38.566 -29.141 -22.338 1.00 0.00 WAT +ATOM 20107 H2 TIP3 4599 -38.845 -30.139 -23.394 1.00 0.00 WAT +ATOM 20108 OH2 TIP3 4600 -41.188 -37.486 -23.564 1.00 0.00 WAT +ATOM 20109 H1 TIP3 4600 -41.052 -36.536 -23.425 1.00 0.00 WAT +ATOM 20110 H2 TIP3 4600 -41.919 -37.528 -24.191 1.00 0.00 WAT +ATOM 20111 OH2 TIP3 4601 -27.990 -26.795 -13.729 1.00 0.00 WAT +ATOM 20112 H1 TIP3 4601 -27.976 -26.003 -14.293 1.00 0.00 WAT +ATOM 20113 H2 TIP3 4601 -27.047 -27.008 -13.673 1.00 0.00 WAT +ATOM 20114 OH2 TIP3 4602 -40.776 -42.368 -14.651 1.00 0.00 WAT +ATOM 20115 H1 TIP3 4602 -40.581 -42.592 -15.570 1.00 0.00 WAT +ATOM 20116 H2 TIP3 4602 -41.117 -43.218 -14.325 1.00 0.00 WAT +ATOM 20117 OH2 TIP3 4603 -41.382 -28.832 -18.590 1.00 0.00 WAT +ATOM 20118 H1 TIP3 4603 -42.278 -28.463 -18.544 1.00 0.00 WAT +ATOM 20119 H2 TIP3 4603 -41.032 -28.409 -19.385 1.00 0.00 WAT +ATOM 20120 OH2 TIP3 4604 -42.140 -26.044 -7.377 1.00 0.00 WAT +ATOM 20121 H1 TIP3 4604 -41.504 -26.038 -6.638 1.00 0.00 WAT +ATOM 20122 H2 TIP3 4604 -42.154 -27.006 -7.519 1.00 0.00 WAT +ATOM 20123 OH2 TIP3 4605 -37.261 -26.906 -5.651 1.00 0.00 WAT +ATOM 20124 H1 TIP3 4605 -36.572 -27.553 -5.434 1.00 0.00 WAT +ATOM 20125 H2 TIP3 4605 -37.497 -27.185 -6.550 1.00 0.00 WAT +ATOM 20126 OH2 TIP3 4606 -33.223 -27.651 -24.153 1.00 0.00 WAT +ATOM 20127 H1 TIP3 4606 -33.976 -28.274 -24.226 1.00 0.00 WAT +ATOM 20128 H2 TIP3 4606 -32.509 -28.206 -24.507 1.00 0.00 WAT +ATOM 20129 OH2 TIP3 4607 -30.838 -28.627 -7.038 1.00 0.00 WAT +ATOM 20130 H1 TIP3 4607 -31.167 -29.470 -6.682 1.00 0.00 WAT +ATOM 20131 H2 TIP3 4607 -30.107 -28.415 -6.430 1.00 0.00 WAT +ATOM 20132 OH2 TIP3 4608 -28.605 -27.774 -24.053 1.00 0.00 WAT +ATOM 20133 H1 TIP3 4608 -28.432 -28.536 -23.474 1.00 0.00 WAT +ATOM 20134 H2 TIP3 4608 -27.781 -27.728 -24.568 1.00 0.00 WAT +ATOM 20135 OH2 TIP3 4609 -41.986 -31.996 -6.764 1.00 0.00 WAT +ATOM 20136 H1 TIP3 4609 -41.895 -32.895 -7.110 1.00 0.00 WAT +ATOM 20137 H2 TIP3 4609 -42.874 -31.744 -7.059 1.00 0.00 WAT +ATOM 20138 OH2 TIP3 4610 -37.813 -31.955 -24.290 1.00 0.00 WAT +ATOM 20139 H1 TIP3 4610 -37.608 -32.522 -23.528 1.00 0.00 WAT +ATOM 20140 H2 TIP3 4610 -36.951 -31.955 -24.752 1.00 0.00 WAT +ATOM 20141 OH2 TIP3 4611 -35.412 -32.169 -6.956 1.00 0.00 WAT +ATOM 20142 H1 TIP3 4611 -35.676 -31.825 -7.826 1.00 0.00 WAT +ATOM 20143 H2 TIP3 4611 -35.316 -33.128 -7.122 1.00 0.00 WAT +ATOM 20144 OH2 TIP3 4612 -32.591 -30.607 -24.680 1.00 0.00 WAT +ATOM 20145 H1 TIP3 4612 -32.594 -30.643 -23.707 1.00 0.00 WAT +ATOM 20146 H2 TIP3 4612 -32.615 -31.565 -24.886 1.00 0.00 WAT +ATOM 20147 OH2 TIP3 4613 -30.003 -32.525 -9.592 1.00 0.00 WAT +ATOM 20148 H1 TIP3 4613 -29.202 -32.009 -9.780 1.00 0.00 WAT +ATOM 20149 H2 TIP3 4613 -30.674 -31.824 -9.616 1.00 0.00 WAT +ATOM 20150 OH2 TIP3 4614 -41.361 -35.282 -7.015 1.00 0.00 WAT +ATOM 20151 H1 TIP3 4614 -40.570 -35.841 -7.139 1.00 0.00 WAT +ATOM 20152 H2 TIP3 4614 -41.231 -34.989 -6.100 1.00 0.00 WAT +ATOM 20153 OH2 TIP3 4615 -36.754 -33.833 -21.974 1.00 0.00 WAT +ATOM 20154 H1 TIP3 4615 -37.325 -34.353 -21.387 1.00 0.00 WAT +ATOM 20155 H2 TIP3 4615 -36.425 -34.521 -22.587 1.00 0.00 WAT +ATOM 20156 OH2 TIP3 4616 -37.609 -36.100 -9.817 1.00 0.00 WAT +ATOM 20157 H1 TIP3 4616 -38.028 -35.295 -9.470 1.00 0.00 WAT +ATOM 20158 H2 TIP3 4616 -36.875 -35.719 -10.335 1.00 0.00 WAT +ATOM 20159 OH2 TIP3 4617 -35.765 -35.831 -23.698 1.00 0.00 WAT +ATOM 20160 H1 TIP3 4617 -35.782 -35.739 -24.669 1.00 0.00 WAT +ATOM 20161 H2 TIP3 4617 -34.805 -35.877 -23.528 1.00 0.00 WAT +ATOM 20162 OH2 TIP3 4618 -32.202 -33.381 -6.160 1.00 0.00 WAT +ATOM 20163 H1 TIP3 4618 -31.295 -33.550 -6.458 1.00 0.00 WAT +ATOM 20164 H2 TIP3 4618 -32.422 -34.218 -5.727 1.00 0.00 WAT +ATOM 20165 OH2 TIP3 4619 -26.249 -33.318 -24.379 1.00 0.00 WAT +ATOM 20166 H1 TIP3 4619 -26.357 -33.728 -25.249 1.00 0.00 WAT +ATOM 20167 H2 TIP3 4619 -26.349 -32.369 -24.607 1.00 0.00 WAT +ATOM 20168 OH2 TIP3 4620 -36.935 -38.819 -8.593 1.00 0.00 WAT +ATOM 20169 H1 TIP3 4620 -36.813 -39.457 -9.315 1.00 0.00 WAT +ATOM 20170 H2 TIP3 4620 -37.116 -38.000 -9.085 1.00 0.00 WAT +ATOM 20171 OH2 TIP3 4621 -36.519 -40.378 -11.172 1.00 0.00 WAT +ATOM 20172 H1 TIP3 4621 -35.987 -39.823 -11.781 1.00 0.00 WAT +ATOM 20173 H2 TIP3 4621 -37.430 -40.256 -11.518 1.00 0.00 WAT +ATOM 20174 OH2 TIP3 4622 -35.069 -34.898 -10.705 1.00 0.00 WAT +ATOM 20175 H1 TIP3 4622 -34.208 -34.992 -11.143 1.00 0.00 WAT +ATOM 20176 H2 TIP3 4622 -35.332 -34.007 -11.013 1.00 0.00 WAT +ATOM 20177 OH2 TIP3 4623 -30.455 -36.932 -5.930 1.00 0.00 WAT +ATOM 20178 H1 TIP3 4623 -30.225 -37.862 -5.778 1.00 0.00 WAT +ATOM 20179 H2 TIP3 4623 -29.576 -36.524 -5.981 1.00 0.00 WAT +ATOM 20180 OH2 TIP3 4624 -29.480 -34.154 -7.454 1.00 0.00 WAT +ATOM 20181 H1 TIP3 4624 -29.811 -33.527 -8.132 1.00 0.00 WAT +ATOM 20182 H2 TIP3 4624 -28.569 -34.283 -7.786 1.00 0.00 WAT +ATOM 20183 OH2 TIP3 4625 -38.789 -36.902 -6.813 1.00 0.00 WAT +ATOM 20184 H1 TIP3 4625 -39.299 -37.730 -6.787 1.00 0.00 WAT +ATOM 20185 H2 TIP3 4625 -37.953 -37.198 -7.203 1.00 0.00 WAT +ATOM 20186 OH2 TIP3 4626 -36.067 -42.774 -9.940 1.00 0.00 WAT +ATOM 20187 H1 TIP3 4626 -35.911 -41.876 -10.298 1.00 0.00 WAT +ATOM 20188 H2 TIP3 4626 -36.994 -42.873 -10.187 1.00 0.00 WAT +ATOM 20189 OH2 TIP3 4627 -34.569 -38.442 -6.994 1.00 0.00 WAT +ATOM 20190 H1 TIP3 4627 -34.869 -38.711 -6.108 1.00 0.00 WAT +ATOM 20191 H2 TIP3 4627 -35.379 -38.640 -7.507 1.00 0.00 WAT +ATOM 20192 OH2 TIP3 4628 -31.978 -39.451 -8.010 1.00 0.00 WAT +ATOM 20193 H1 TIP3 4628 -32.867 -39.312 -7.637 1.00 0.00 WAT +ATOM 20194 H2 TIP3 4628 -31.601 -40.100 -7.389 1.00 0.00 WAT +ATOM 20195 OH2 TIP3 4629 -30.270 -41.367 -6.333 1.00 0.00 WAT +ATOM 20196 H1 TIP3 4629 -30.396 -42.237 -5.938 1.00 0.00 WAT +ATOM 20197 H2 TIP3 4629 -30.388 -40.767 -5.578 1.00 0.00 WAT +ATOM 20198 OH2 TIP3 4630 -40.107 -39.508 -6.928 1.00 0.00 WAT +ATOM 20199 H1 TIP3 4630 -40.242 -40.218 -7.582 1.00 0.00 WAT +ATOM 20200 H2 TIP3 4630 -40.374 -39.941 -6.099 1.00 0.00 WAT +ATOM 20201 OH2 TIP3 4631 -34.947 -41.463 -5.889 1.00 0.00 WAT +ATOM 20202 H1 TIP3 4631 -35.164 -42.287 -6.363 1.00 0.00 WAT +ATOM 20203 H2 TIP3 4631 -35.800 -41.001 -5.845 1.00 0.00 WAT +ATOM 20204 OH2 TIP3 4632 -35.988 -24.610 -22.610 1.00 0.00 WAT +ATOM 20205 H1 TIP3 4632 -35.038 -24.480 -22.473 1.00 0.00 WAT +ATOM 20206 H2 TIP3 4632 -36.114 -24.135 -23.441 1.00 0.00 WAT +ATOM 20207 OH2 TIP3 4633 -41.992 -29.699 -23.523 1.00 0.00 WAT +ATOM 20208 H1 TIP3 4633 -41.208 -29.749 -22.941 1.00 0.00 WAT +ATOM 20209 H2 TIP3 4633 -42.162 -30.629 -23.732 1.00 0.00 WAT +ATOM 20210 OH2 TIP3 4634 -42.723 -26.904 -16.405 1.00 0.00 WAT +ATOM 20211 H1 TIP3 4634 -42.760 -27.796 -16.028 1.00 0.00 WAT +ATOM 20212 H2 TIP3 4634 -42.426 -26.393 -15.636 1.00 0.00 WAT +ATOM 20213 OH2 TIP3 4635 -25.125 -25.402 -13.335 1.00 0.00 WAT +ATOM 20214 H1 TIP3 4635 -25.014 -25.862 -12.494 1.00 0.00 WAT +ATOM 20215 H2 TIP3 4635 -24.230 -25.446 -13.693 1.00 0.00 WAT +ATOM 20216 OH2 TIP3 4636 -25.282 -26.273 -10.409 1.00 0.00 WAT +ATOM 20217 H1 TIP3 4636 -25.759 -27.012 -10.835 1.00 0.00 WAT +ATOM 20218 H2 TIP3 4636 -24.670 -26.779 -9.854 1.00 0.00 WAT +ATOM 20219 OH2 TIP3 4637 -27.257 -30.840 -6.161 1.00 0.00 WAT +ATOM 20220 H1 TIP3 4637 -28.136 -30.754 -5.755 1.00 0.00 WAT +ATOM 20221 H2 TIP3 4637 -26.804 -30.029 -5.875 1.00 0.00 WAT +ATOM 20222 OH2 TIP3 4638 -25.852 -31.946 -20.439 1.00 0.00 WAT +ATOM 20223 H1 TIP3 4638 -24.951 -31.616 -20.258 1.00 0.00 WAT +ATOM 20224 H2 TIP3 4638 -25.943 -32.577 -19.701 1.00 0.00 WAT +ATOM 20225 OH2 TIP3 4639 -25.410 -34.002 -18.498 1.00 0.00 WAT +ATOM 20226 H1 TIP3 4639 -26.065 -34.543 -18.020 1.00 0.00 WAT +ATOM 20227 H2 TIP3 4639 -24.722 -33.839 -17.819 1.00 0.00 WAT +ATOM 20228 OH2 TIP3 4640 -26.953 -28.531 -11.148 1.00 0.00 WAT +ATOM 20229 H1 TIP3 4640 -27.777 -28.210 -10.752 1.00 0.00 WAT +ATOM 20230 H2 TIP3 4640 -27.252 -28.890 -12.006 1.00 0.00 WAT +ATOM 20231 OH2 TIP3 4641 -25.135 -34.549 -21.893 1.00 0.00 WAT +ATOM 20232 H1 TIP3 4641 -25.649 -34.228 -22.658 1.00 0.00 WAT +ATOM 20233 H2 TIP3 4641 -25.269 -33.824 -21.261 1.00 0.00 WAT +ATOM 20234 OH2 TIP3 4642 -26.902 -36.979 -23.630 1.00 0.00 WAT +ATOM 20235 H1 TIP3 4642 -26.603 -36.378 -24.325 1.00 0.00 WAT +ATOM 20236 H2 TIP3 4642 -27.119 -37.790 -24.125 1.00 0.00 WAT +ATOM 20237 OH2 TIP3 4643 -27.496 -35.838 -17.651 1.00 0.00 WAT +ATOM 20238 H1 TIP3 4643 -27.548 -36.794 -17.806 1.00 0.00 WAT +ATOM 20239 H2 TIP3 4643 -27.843 -35.748 -16.741 1.00 0.00 WAT +ATOM 20240 OH2 TIP3 4644 -26.869 -33.929 -8.490 1.00 0.00 WAT +ATOM 20241 H1 TIP3 4644 -26.115 -34.529 -8.335 1.00 0.00 WAT +ATOM 20242 H2 TIP3 4644 -26.427 -33.099 -8.722 1.00 0.00 WAT +ATOM 20243 OH2 TIP3 4645 -25.319 -35.837 -7.255 1.00 0.00 WAT +ATOM 20244 H1 TIP3 4645 -26.098 -36.374 -7.508 1.00 0.00 WAT +ATOM 20245 H2 TIP3 4645 -24.605 -36.500 -7.295 1.00 0.00 WAT +ATOM 20246 OH2 TIP3 4646 -27.452 -39.692 -24.462 1.00 0.00 WAT +ATOM 20247 H1 TIP3 4646 -26.846 -40.116 -23.827 1.00 0.00 WAT +ATOM 20248 H2 TIP3 4646 -28.270 -40.190 -24.340 1.00 0.00 WAT +ATOM 20249 OH2 TIP3 4647 -27.647 -38.278 -19.456 1.00 0.00 WAT +ATOM 20250 H1 TIP3 4647 -27.460 -39.244 -19.399 1.00 0.00 WAT +ATOM 20251 H2 TIP3 4647 -26.819 -37.966 -19.862 1.00 0.00 WAT +ATOM 20252 OH2 TIP3 4648 -27.374 -37.742 -14.064 1.00 0.00 WAT +ATOM 20253 H1 TIP3 4648 -26.398 -37.659 -14.092 1.00 0.00 WAT +ATOM 20254 H2 TIP3 4648 -27.507 -37.744 -13.101 1.00 0.00 WAT +ATOM 20255 OH2 TIP3 4649 -27.225 -37.052 -11.197 1.00 0.00 WAT +ATOM 20256 H1 TIP3 4649 -28.062 -36.616 -10.954 1.00 0.00 WAT +ATOM 20257 H2 TIP3 4649 -26.665 -36.288 -11.440 1.00 0.00 WAT +ATOM 20258 OH2 TIP3 4650 -42.846 -38.402 -7.596 1.00 0.00 WAT +ATOM 20259 H1 TIP3 4650 -41.965 -38.803 -7.577 1.00 0.00 WAT +ATOM 20260 H2 TIP3 4650 -43.442 -39.139 -7.393 1.00 0.00 WAT +ATOM 20261 OH2 TIP3 4651 -25.066 -42.774 -5.428 1.00 0.00 WAT +ATOM 20262 H1 TIP3 4651 -24.550 -43.551 -5.664 1.00 0.00 WAT +ATOM 20263 H2 TIP3 4651 -25.047 -42.180 -6.213 1.00 0.00 WAT +ATOM 20264 OH2 TIP3 4652 -27.329 -40.991 -19.369 1.00 0.00 WAT +ATOM 20265 H1 TIP3 4652 -27.085 -41.488 -18.575 1.00 0.00 WAT +ATOM 20266 H2 TIP3 4652 -27.949 -41.609 -19.800 1.00 0.00 WAT +ATOM 20267 OH2 TIP3 4653 -41.950 -39.908 -14.568 1.00 0.00 WAT +ATOM 20268 H1 TIP3 4653 -41.602 -40.817 -14.439 1.00 0.00 WAT +ATOM 20269 H2 TIP3 4653 -41.179 -39.368 -14.319 1.00 0.00 WAT +ATOM 20270 OH2 TIP3 4654 -43.123 -37.406 -13.519 1.00 0.00 WAT +ATOM 20271 H1 TIP3 4654 -42.915 -37.966 -14.283 1.00 0.00 WAT +ATOM 20272 H2 TIP3 4654 -43.162 -36.536 -13.919 1.00 0.00 WAT +ATOM 20273 OH2 TIP3 4655 -25.276 -41.121 -7.584 1.00 0.00 WAT +ATOM 20274 H1 TIP3 4655 -26.125 -40.644 -7.512 1.00 0.00 WAT +ATOM 20275 H2 TIP3 4655 -25.362 -41.463 -8.491 1.00 0.00 WAT +ATOM 20276 OH2 TIP3 4656 -25.209 -40.561 -22.797 1.00 0.00 WAT +ATOM 20277 H1 TIP3 4656 -25.016 -41.426 -23.212 1.00 0.00 WAT +ATOM 20278 H2 TIP3 4656 -24.337 -40.147 -22.731 1.00 0.00 WAT +ATOM 20279 OH2 TIP3 4657 -43.156 -41.071 -20.053 1.00 0.00 WAT +ATOM 20280 H1 TIP3 4657 -43.989 -40.697 -20.370 1.00 0.00 WAT +ATOM 20281 H2 TIP3 4657 -42.528 -40.379 -20.348 1.00 0.00 WAT +ATOM 20282 OH2 TIP3 4658 -28.281 -25.641 -17.506 1.00 0.00 WAT +ATOM 20283 H1 TIP3 4658 -27.839 -25.916 -18.329 1.00 0.00 WAT +ATOM 20284 H2 TIP3 4658 -27.525 -25.380 -16.967 1.00 0.00 WAT +ATOM 20285 OH2 TIP3 4659 -42.902 -41.631 -11.697 1.00 0.00 WAT +ATOM 20286 H1 TIP3 4659 -43.462 -42.212 -11.137 1.00 0.00 WAT +ATOM 20287 H2 TIP3 4659 -43.310 -41.706 -12.566 1.00 0.00 WAT +ATOM 20288 OH2 TIP3 4660 -41.179 -28.621 -7.032 1.00 0.00 WAT +ATOM 20289 H1 TIP3 4660 -41.692 -29.256 -7.540 1.00 0.00 WAT +ATOM 20290 H2 TIP3 4660 -41.319 -28.960 -6.117 1.00 0.00 WAT +ATOM 20291 OH2 TIP3 4661 -38.024 -27.969 -11.132 1.00 0.00 WAT +ATOM 20292 H1 TIP3 4661 -38.322 -27.122 -11.509 1.00 0.00 WAT +ATOM 20293 H2 TIP3 4661 -37.062 -27.886 -11.299 1.00 0.00 WAT +ATOM 20294 OH2 TIP3 4662 -33.531 -26.665 -8.121 1.00 0.00 WAT +ATOM 20295 H1 TIP3 4662 -33.354 -26.852 -7.185 1.00 0.00 WAT +ATOM 20296 H2 TIP3 4662 -32.696 -26.228 -8.391 1.00 0.00 WAT +ATOM 20297 OH2 TIP3 4663 -31.251 -25.218 -8.886 1.00 0.00 WAT +ATOM 20298 H1 TIP3 4663 -30.543 -25.830 -9.149 1.00 0.00 WAT +ATOM 20299 H2 TIP3 4663 -30.924 -24.915 -8.017 1.00 0.00 WAT +ATOM 20300 OH2 TIP3 4664 -26.658 -42.770 -9.681 1.00 0.00 WAT +ATOM 20301 H1 TIP3 4664 -27.156 -42.148 -10.240 1.00 0.00 WAT +ATOM 20302 H2 TIP3 4664 -26.413 -43.429 -10.351 1.00 0.00 WAT +ATOM 20303 OH2 TIP3 4665 -40.712 -24.931 -10.891 1.00 0.00 WAT +ATOM 20304 H1 TIP3 4665 -41.392 -24.415 -11.365 1.00 0.00 WAT +ATOM 20305 H2 TIP3 4665 -41.011 -24.839 -9.979 1.00 0.00 WAT +ATOM 20306 OH2 TIP3 4666 -38.194 -25.254 -12.247 1.00 0.00 WAT +ATOM 20307 H1 TIP3 4666 -39.054 -25.048 -11.830 1.00 0.00 WAT +ATOM 20308 H2 TIP3 4666 -38.144 -24.582 -12.950 1.00 0.00 WAT +ATOM 20309 OH2 TIP3 4667 -33.433 -25.258 -12.687 1.00 0.00 WAT +ATOM 20310 H1 TIP3 4667 -33.780 -24.804 -13.474 1.00 0.00 WAT +ATOM 20311 H2 TIP3 4667 -33.313 -24.515 -12.067 1.00 0.00 WAT +ATOM 20312 OH2 TIP3 4668 -31.084 -26.551 -11.754 1.00 0.00 WAT +ATOM 20313 H1 TIP3 4668 -31.911 -26.179 -12.112 1.00 0.00 WAT +ATOM 20314 H2 TIP3 4668 -30.480 -25.795 -11.815 1.00 0.00 WAT +ATOM 20315 OH2 TIP3 4669 -28.583 -24.818 -11.575 1.00 0.00 WAT +ATOM 20316 H1 TIP3 4669 -28.579 -23.879 -11.844 1.00 0.00 WAT +ATOM 20317 H2 TIP3 4669 -28.255 -25.243 -12.391 1.00 0.00 WAT +ATOM 20318 OH2 TIP3 4670 -41.279 -26.207 -13.921 1.00 0.00 WAT +ATOM 20319 H1 TIP3 4670 -41.328 -26.620 -13.035 1.00 0.00 WAT +ATOM 20320 H2 TIP3 4670 -40.476 -26.626 -14.282 1.00 0.00 WAT +ATOM 20321 OH2 TIP3 4671 -39.101 -27.429 -15.384 1.00 0.00 WAT +ATOM 20322 H1 TIP3 4671 -39.229 -28.366 -15.135 1.00 0.00 WAT +ATOM 20323 H2 TIP3 4671 -38.187 -27.267 -15.080 1.00 0.00 WAT +ATOM 20324 OH2 TIP3 4672 -36.330 -27.014 -14.534 1.00 0.00 WAT +ATOM 20325 H1 TIP3 4672 -36.107 -27.931 -14.771 1.00 0.00 WAT +ATOM 20326 H2 TIP3 4672 -36.221 -27.049 -13.570 1.00 0.00 WAT +ATOM 20327 OH2 TIP3 4673 -33.011 -41.120 -15.262 1.00 0.00 WAT +ATOM 20328 H1 TIP3 4673 -33.627 -41.824 -14.975 1.00 0.00 WAT +ATOM 20329 H2 TIP3 4673 -32.392 -41.614 -15.823 1.00 0.00 WAT +ATOM 20330 OH2 TIP3 4674 -27.720 -43.316 -14.804 1.00 0.00 WAT +ATOM 20331 H1 TIP3 4674 -27.116 -42.892 -15.439 1.00 0.00 WAT +ATOM 20332 H2 TIP3 4674 -28.587 -43.034 -15.118 1.00 0.00 WAT +ATOM 20333 OH2 TIP3 4675 -25.786 -42.237 -16.987 1.00 0.00 WAT +ATOM 20334 H1 TIP3 4675 -25.192 -42.449 -17.712 1.00 0.00 WAT +ATOM 20335 H2 TIP3 4675 -25.574 -41.296 -16.830 1.00 0.00 WAT +ATOM 20336 OH2 TIP3 4676 -40.734 -42.818 -17.928 1.00 0.00 WAT +ATOM 20337 H1 TIP3 4676 -41.604 -43.168 -18.159 1.00 0.00 WAT +ATOM 20338 H2 TIP3 4676 -40.264 -43.592 -17.604 1.00 0.00 WAT +ATOM 20339 OH2 TIP3 4677 -42.076 -43.007 -21.861 1.00 0.00 WAT +ATOM 20340 H1 TIP3 4677 -41.686 -42.346 -22.462 1.00 0.00 WAT +ATOM 20341 H2 TIP3 4677 -42.594 -42.437 -21.259 1.00 0.00 WAT +ATOM 20342 OH2 TIP3 4678 -36.149 -42.194 -17.606 1.00 0.00 WAT +ATOM 20343 H1 TIP3 4678 -35.228 -42.331 -17.875 1.00 0.00 WAT +ATOM 20344 H2 TIP3 4678 -36.340 -42.975 -17.077 1.00 0.00 WAT +ATOM 20345 OH2 TIP3 4679 -30.623 -42.643 -16.309 1.00 0.00 WAT +ATOM 20346 H1 TIP3 4679 -30.247 -42.614 -17.198 1.00 0.00 WAT +ATOM 20347 H2 TIP3 4679 -30.720 -43.589 -16.134 1.00 0.00 WAT +ATOM 20348 OH2 TIP3 4680 -29.504 -42.721 -20.312 1.00 0.00 WAT +ATOM 20349 H1 TIP3 4680 -30.251 -42.133 -20.537 1.00 0.00 WAT +ATOM 20350 H2 TIP3 4680 -29.893 -43.602 -20.369 1.00 0.00 WAT +ATOM 20351 OH2 TIP3 4681 -41.893 -26.919 -20.830 1.00 0.00 WAT +ATOM 20352 H1 TIP3 4681 -42.495 -27.097 -21.560 1.00 0.00 WAT +ATOM 20353 H2 TIP3 4681 -41.823 -25.956 -20.862 1.00 0.00 WAT +ATOM 20354 OH2 TIP3 4682 -40.093 -41.134 -23.255 1.00 0.00 WAT +ATOM 20355 H1 TIP3 4682 -39.445 -41.571 -23.831 1.00 0.00 WAT +ATOM 20356 H2 TIP3 4682 -39.496 -40.702 -22.614 1.00 0.00 WAT +ATOM 20357 OH2 TIP3 4683 -34.929 -40.593 -20.954 1.00 0.00 WAT +ATOM 20358 H1 TIP3 4683 -34.821 -41.428 -20.456 1.00 0.00 WAT +ATOM 20359 H2 TIP3 4683 -34.697 -39.910 -20.294 1.00 0.00 WAT +ATOM 20360 OH2 TIP3 4684 -32.968 -25.146 -22.504 1.00 0.00 WAT +ATOM 20361 H1 TIP3 4684 -31.995 -25.107 -22.558 1.00 0.00 WAT +ATOM 20362 H2 TIP3 4684 -33.152 -25.808 -23.191 1.00 0.00 WAT +ATOM 20363 OH2 TIP3 4685 -26.465 -26.098 -19.938 1.00 0.00 WAT +ATOM 20364 H1 TIP3 4685 -26.693 -26.931 -20.392 1.00 0.00 WAT +ATOM 20365 H2 TIP3 4685 -26.499 -25.461 -20.671 1.00 0.00 WAT +ATOM 20366 OH2 TIP3 4686 -41.059 -41.710 -8.474 1.00 0.00 WAT +ATOM 20367 H1 TIP3 4686 -41.600 -42.375 -8.000 1.00 0.00 WAT +ATOM 20368 H2 TIP3 4686 -40.259 -42.240 -8.614 1.00 0.00 WAT +ATOM 20369 OH2 TIP3 4687 -38.080 -42.775 -5.869 1.00 0.00 WAT +ATOM 20370 H1 TIP3 4687 -37.221 -43.039 -6.270 1.00 0.00 WAT +ATOM 20371 H2 TIP3 4687 -38.278 -43.548 -5.329 1.00 0.00 WAT +ATOM 20372 OH2 TIP3 4688 -40.128 -25.932 -23.861 1.00 0.00 WAT +ATOM 20373 H1 TIP3 4688 -40.397 -25.740 -22.952 1.00 0.00 WAT +ATOM 20374 H2 TIP3 4688 -39.404 -26.570 -23.731 1.00 0.00 WAT +ATOM 20375 OH2 TIP3 4689 -26.968 -27.345 -7.529 1.00 0.00 WAT +ATOM 20376 H1 TIP3 4689 -27.678 -27.533 -8.170 1.00 0.00 WAT +ATOM 20377 H2 TIP3 4689 -27.122 -26.396 -7.367 1.00 0.00 WAT +ATOM 20378 OH2 TIP3 4690 -12.724 -33.673 -17.446 1.00 0.00 WAT +ATOM 20379 H1 TIP3 4690 -12.759 -32.721 -17.265 1.00 0.00 WAT +ATOM 20380 H2 TIP3 4690 -13.527 -33.802 -17.971 1.00 0.00 WAT +ATOM 20381 OH2 TIP3 4691 -13.885 -34.233 -14.363 1.00 0.00 WAT +ATOM 20382 H1 TIP3 4691 -13.905 -34.753 -13.541 1.00 0.00 WAT +ATOM 20383 H2 TIP3 4691 -14.192 -34.884 -15.011 1.00 0.00 WAT +ATOM 20384 OH2 TIP3 4692 -21.430 -34.641 -12.698 1.00 0.00 WAT +ATOM 20385 H1 TIP3 4692 -21.457 -35.373 -12.056 1.00 0.00 WAT +ATOM 20386 H2 TIP3 4692 -20.741 -34.077 -12.321 1.00 0.00 WAT +ATOM 20387 OH2 TIP3 4693 -10.192 -31.456 -16.016 1.00 0.00 WAT +ATOM 20388 H1 TIP3 4693 -10.569 -32.175 -15.490 1.00 0.00 WAT +ATOM 20389 H2 TIP3 4693 -9.934 -30.837 -15.314 1.00 0.00 WAT +ATOM 20390 OH2 TIP3 4694 -20.599 -29.915 -14.201 1.00 0.00 WAT +ATOM 20391 H1 TIP3 4694 -21.056 -30.754 -14.401 1.00 0.00 WAT +ATOM 20392 H2 TIP3 4694 -19.715 -30.230 -13.977 1.00 0.00 WAT +ATOM 20393 OH2 TIP3 4695 -23.759 -36.650 -18.812 1.00 0.00 WAT +ATOM 20394 H1 TIP3 4695 -24.093 -35.752 -18.643 1.00 0.00 WAT +ATOM 20395 H2 TIP3 4695 -24.532 -37.072 -19.206 1.00 0.00 WAT +ATOM 20396 OH2 TIP3 4696 -23.000 -34.175 -17.012 1.00 0.00 WAT +ATOM 20397 H1 TIP3 4696 -22.852 -34.887 -16.362 1.00 0.00 WAT +ATOM 20398 H2 TIP3 4696 -22.110 -34.021 -17.347 1.00 0.00 WAT +ATOM 20399 OH2 TIP3 4697 -13.084 -26.062 -15.441 1.00 0.00 WAT +ATOM 20400 H1 TIP3 4697 -12.569 -26.841 -15.726 1.00 0.00 WAT +ATOM 20401 H2 TIP3 4697 -13.459 -26.381 -14.606 1.00 0.00 WAT +ATOM 20402 OH2 TIP3 4698 -15.393 -31.716 -13.802 1.00 0.00 WAT +ATOM 20403 H1 TIP3 4698 -15.058 -32.451 -14.342 1.00 0.00 WAT +ATOM 20404 H2 TIP3 4698 -14.599 -31.558 -13.254 1.00 0.00 WAT +ATOM 20405 OH2 TIP3 4699 -6.850 -40.172 -13.219 1.00 0.00 WAT +ATOM 20406 H1 TIP3 4699 -6.531 -39.738 -12.410 1.00 0.00 WAT +ATOM 20407 H2 TIP3 4699 -6.195 -39.847 -13.862 1.00 0.00 WAT +ATOM 20408 OH2 TIP3 4700 -12.113 -37.402 -13.260 1.00 0.00 WAT +ATOM 20409 H1 TIP3 4700 -11.924 -38.356 -13.246 1.00 0.00 WAT +ATOM 20410 H2 TIP3 4700 -12.214 -37.242 -14.212 1.00 0.00 WAT +ATOM 20411 OH2 TIP3 4701 -19.160 -39.414 -16.166 1.00 0.00 WAT +ATOM 20412 H1 TIP3 4701 -18.991 -38.560 -16.609 1.00 0.00 WAT +ATOM 20413 H2 TIP3 4701 -19.491 -39.936 -16.921 1.00 0.00 WAT +ATOM 20414 OH2 TIP3 4702 -11.256 -39.222 -17.842 1.00 0.00 WAT +ATOM 20415 H1 TIP3 4702 -10.657 -39.650 -17.198 1.00 0.00 WAT +ATOM 20416 H2 TIP3 4702 -10.621 -38.766 -18.413 1.00 0.00 WAT +ATOM 20417 OH2 TIP3 4703 -22.451 -36.657 -15.675 1.00 0.00 WAT +ATOM 20418 H1 TIP3 4703 -21.832 -37.129 -15.099 1.00 0.00 WAT +ATOM 20419 H2 TIP3 4703 -22.345 -37.132 -16.517 1.00 0.00 WAT +ATOM 20420 OH2 TIP3 4704 -17.056 -35.248 -16.245 1.00 0.00 WAT +ATOM 20421 H1 TIP3 4704 -16.364 -35.799 -15.829 1.00 0.00 WAT +ATOM 20422 H2 TIP3 4704 -17.574 -35.923 -16.720 1.00 0.00 WAT +ATOM 20423 OH2 TIP3 4705 -5.920 -38.487 -10.585 1.00 0.00 WAT +ATOM 20424 H1 TIP3 4705 -6.678 -37.962 -10.892 1.00 0.00 WAT +ATOM 20425 H2 TIP3 4705 -6.265 -38.859 -9.765 1.00 0.00 WAT +ATOM 20426 OH2 TIP3 4706 -20.359 -40.569 -12.015 1.00 0.00 WAT +ATOM 20427 H1 TIP3 4706 -20.677 -39.996 -12.734 1.00 0.00 WAT +ATOM 20428 H2 TIP3 4706 -21.022 -40.358 -11.326 1.00 0.00 WAT +ATOM 20429 OH2 TIP3 4707 -12.766 -30.753 -18.682 1.00 0.00 WAT +ATOM 20430 H1 TIP3 4707 -13.226 -31.078 -19.459 1.00 0.00 WAT +ATOM 20431 H2 TIP3 4707 -13.279 -29.957 -18.450 1.00 0.00 WAT +ATOM 20432 OH2 TIP3 4708 -17.427 -32.701 -11.929 1.00 0.00 WAT +ATOM 20433 H1 TIP3 4708 -18.148 -32.104 -11.636 1.00 0.00 WAT +ATOM 20434 H2 TIP3 4708 -16.790 -32.074 -12.315 1.00 0.00 WAT +ATOM 20435 OH2 TIP3 4709 -9.358 -40.143 -15.809 1.00 0.00 WAT +ATOM 20436 H1 TIP3 4709 -9.868 -40.597 -15.125 1.00 0.00 WAT +ATOM 20437 H2 TIP3 4709 -8.862 -39.497 -15.276 1.00 0.00 WAT +ATOM 20438 OH2 TIP3 4710 -20.735 -38.575 -14.064 1.00 0.00 WAT +ATOM 20439 H1 TIP3 4710 -20.121 -37.949 -13.624 1.00 0.00 WAT +ATOM 20440 H2 TIP3 4710 -20.161 -38.897 -14.794 1.00 0.00 WAT +ATOM 20441 OH2 TIP3 4711 -19.426 -30.816 -11.173 1.00 0.00 WAT +ATOM 20442 H1 TIP3 4711 -19.443 -29.893 -11.488 1.00 0.00 WAT +ATOM 20443 H2 TIP3 4711 -20.297 -30.854 -10.739 1.00 0.00 WAT +ATOM 20444 OH2 TIP3 4712 -23.083 -31.133 -20.316 1.00 0.00 WAT +ATOM 20445 H1 TIP3 4712 -23.308 -30.592 -21.088 1.00 0.00 WAT +ATOM 20446 H2 TIP3 4712 -22.912 -30.457 -19.620 1.00 0.00 WAT +ATOM 20447 OH2 TIP3 4713 -9.667 -29.637 -13.659 1.00 0.00 WAT +ATOM 20448 H1 TIP3 4713 -10.623 -29.492 -13.523 1.00 0.00 WAT +ATOM 20449 H2 TIP3 4713 -9.380 -28.737 -13.882 1.00 0.00 WAT +ATOM 20450 OH2 TIP3 4714 -9.224 -41.118 -11.808 1.00 0.00 WAT +ATOM 20451 H1 TIP3 4714 -10.029 -40.777 -12.230 1.00 0.00 WAT +ATOM 20452 H2 TIP3 4714 -8.561 -40.962 -12.506 1.00 0.00 WAT +ATOM 20453 OH2 TIP3 4715 -16.120 43.811 -14.774 1.00 0.00 WAT +ATOM 20454 H1 TIP3 4715 -16.164 42.852 -14.686 1.00 0.00 WAT +ATOM 20455 H2 TIP3 4715 -16.996 44.121 -14.467 1.00 0.00 WAT +ATOM 20456 OH2 TIP3 4716 -11.372 -27.821 -16.853 1.00 0.00 WAT +ATOM 20457 H1 TIP3 4716 -10.904 -28.591 -17.228 1.00 0.00 WAT +ATOM 20458 H2 TIP3 4716 -10.840 -27.083 -17.160 1.00 0.00 WAT +ATOM 20459 OH2 TIP3 4717 -9.874 -29.890 -18.380 1.00 0.00 WAT +ATOM 20460 H1 TIP3 4717 -10.485 -30.348 -18.978 1.00 0.00 WAT +ATOM 20461 H2 TIP3 4717 -9.916 -30.479 -17.600 1.00 0.00 WAT +ATOM 20462 OH2 TIP3 4718 -8.471 -31.047 -9.856 1.00 0.00 WAT +ATOM 20463 H1 TIP3 4718 -8.449 -31.660 -10.610 1.00 0.00 WAT +ATOM 20464 H2 TIP3 4718 -8.217 -30.196 -10.254 1.00 0.00 WAT +ATOM 20465 OH2 TIP3 4719 -14.098 -34.154 -20.148 1.00 0.00 WAT +ATOM 20466 H1 TIP3 4719 -14.770 -33.545 -20.512 1.00 0.00 WAT +ATOM 20467 H2 TIP3 4719 -13.396 -34.100 -20.816 1.00 0.00 WAT +ATOM 20468 OH2 TIP3 4720 -13.812 -35.938 -23.118 1.00 0.00 WAT +ATOM 20469 H1 TIP3 4720 -13.123 -35.650 -22.492 1.00 0.00 WAT +ATOM 20470 H2 TIP3 4720 -13.304 -36.539 -23.681 1.00 0.00 WAT +ATOM 20471 OH2 TIP3 4721 -6.611 -34.903 -11.932 1.00 0.00 WAT +ATOM 20472 H1 TIP3 4721 -7.328 -34.246 -11.820 1.00 0.00 WAT +ATOM 20473 H2 TIP3 4721 -6.132 -34.523 -12.694 1.00 0.00 WAT +ATOM 20474 OH2 TIP3 4722 -10.569 -34.141 -19.085 1.00 0.00 WAT +ATOM 20475 H1 TIP3 4722 -11.268 -33.924 -18.424 1.00 0.00 WAT +ATOM 20476 H2 TIP3 4722 -9.986 -34.707 -18.547 1.00 0.00 WAT +ATOM 20477 OH2 TIP3 4723 -10.750 -35.631 -10.249 1.00 0.00 WAT +ATOM 20478 H1 TIP3 4723 -10.681 -34.841 -9.686 1.00 0.00 WAT +ATOM 20479 H2 TIP3 4723 -11.384 -35.288 -10.904 1.00 0.00 WAT +ATOM 20480 OH2 TIP3 4724 -18.967 -33.372 -17.317 1.00 0.00 WAT +ATOM 20481 H1 TIP3 4724 -19.292 -33.815 -18.124 1.00 0.00 WAT +ATOM 20482 H2 TIP3 4724 -18.331 -34.022 -16.969 1.00 0.00 WAT +ATOM 20483 OH2 TIP3 4725 -17.569 -29.937 -14.587 1.00 0.00 WAT +ATOM 20484 H1 TIP3 4725 -17.727 -30.392 -15.423 1.00 0.00 WAT +ATOM 20485 H2 TIP3 4725 -16.799 -30.424 -14.234 1.00 0.00 WAT +ATOM 20486 OH2 TIP3 4726 -18.384 -34.607 -13.795 1.00 0.00 WAT +ATOM 20487 H1 TIP3 4726 -17.826 -34.519 -14.589 1.00 0.00 WAT +ATOM 20488 H2 TIP3 4726 -18.045 -33.897 -13.216 1.00 0.00 WAT +ATOM 20489 OH2 TIP3 4727 -12.445 -28.969 -13.181 1.00 0.00 WAT +ATOM 20490 H1 TIP3 4727 -12.373 -28.363 -12.427 1.00 0.00 WAT +ATOM 20491 H2 TIP3 4727 -12.689 -29.813 -12.764 1.00 0.00 WAT +ATOM 20492 OH2 TIP3 4728 -17.518 -30.230 -8.975 1.00 0.00 WAT +ATOM 20493 H1 TIP3 4728 -17.980 -29.570 -8.427 1.00 0.00 WAT +ATOM 20494 H2 TIP3 4728 -18.187 -30.426 -9.657 1.00 0.00 WAT +ATOM 20495 OH2 TIP3 4729 -11.614 -34.719 -21.619 1.00 0.00 WAT +ATOM 20496 H1 TIP3 4729 -11.161 -34.434 -20.796 1.00 0.00 WAT +ATOM 20497 H2 TIP3 4729 -11.123 -34.190 -22.294 1.00 0.00 WAT +ATOM 20498 OH2 TIP3 4730 -20.625 -33.867 -9.851 1.00 0.00 WAT +ATOM 20499 H1 TIP3 4730 -20.562 -33.267 -9.084 1.00 0.00 WAT +ATOM 20500 H2 TIP3 4730 -21.588 -33.964 -9.940 1.00 0.00 WAT +ATOM 20501 OH2 TIP3 4731 -14.094 -28.078 -18.112 1.00 0.00 WAT +ATOM 20502 H1 TIP3 4731 -13.692 -27.814 -17.276 1.00 0.00 WAT +ATOM 20503 H2 TIP3 4731 -14.648 -27.317 -18.342 1.00 0.00 WAT +ATOM 20504 OH2 TIP3 4732 -19.393 -27.922 -8.061 1.00 0.00 WAT +ATOM 20505 H1 TIP3 4732 -19.505 -27.960 -9.022 1.00 0.00 WAT +ATOM 20506 H2 TIP3 4732 -20.230 -28.258 -7.702 1.00 0.00 WAT +ATOM 20507 OH2 TIP3 4733 -8.428 -43.218 -22.408 1.00 0.00 WAT +ATOM 20508 H1 TIP3 4733 -8.886 -43.236 -21.554 1.00 0.00 WAT +ATOM 20509 H2 TIP3 4733 -7.652 -42.690 -22.170 1.00 0.00 WAT +ATOM 20510 OH2 TIP3 4734 -20.046 -34.643 -19.777 1.00 0.00 WAT +ATOM 20511 H1 TIP3 4734 -20.275 -33.866 -20.315 1.00 0.00 WAT +ATOM 20512 H2 TIP3 4734 -20.742 -35.266 -20.022 1.00 0.00 WAT +ATOM 20513 OH2 TIP3 4735 -6.804 -28.800 -23.589 1.00 0.00 WAT +ATOM 20514 H1 TIP3 4735 -6.660 -27.862 -23.351 1.00 0.00 WAT +ATOM 20515 H2 TIP3 4735 -5.943 -29.198 -23.363 1.00 0.00 WAT +ATOM 20516 OH2 TIP3 4736 -24.128 -31.942 -11.079 1.00 0.00 WAT +ATOM 20517 H1 TIP3 4736 -24.338 -31.850 -12.028 1.00 0.00 WAT +ATOM 20518 H2 TIP3 4736 -23.947 -32.894 -11.002 1.00 0.00 WAT +ATOM 20519 OH2 TIP3 4737 -6.306 -28.433 -8.600 1.00 0.00 WAT +ATOM 20520 H1 TIP3 4737 -5.689 -29.080 -8.245 1.00 0.00 WAT +ATOM 20521 H2 TIP3 4737 -6.760 -28.127 -7.810 1.00 0.00 WAT +ATOM 20522 OH2 TIP3 4738 -14.946 -28.837 -9.400 1.00 0.00 WAT +ATOM 20523 H1 TIP3 4738 -14.842 -28.135 -8.743 1.00 0.00 WAT +ATOM 20524 H2 TIP3 4738 -15.790 -29.242 -9.122 1.00 0.00 WAT +ATOM 20525 OH2 TIP3 4739 -14.667 -25.348 -19.592 1.00 0.00 WAT +ATOM 20526 H1 TIP3 4739 -14.682 -25.266 -20.561 1.00 0.00 WAT +ATOM 20527 H2 TIP3 4739 -14.551 -24.434 -19.296 1.00 0.00 WAT +ATOM 20528 OH2 TIP3 4740 -20.812 -26.250 -17.941 1.00 0.00 WAT +ATOM 20529 H1 TIP3 4740 -20.669 -26.700 -17.080 1.00 0.00 WAT +ATOM 20530 H2 TIP3 4740 -21.664 -26.625 -18.202 1.00 0.00 WAT +ATOM 20531 OH2 TIP3 4741 -11.315 -25.905 -22.420 1.00 0.00 WAT +ATOM 20532 H1 TIP3 4741 -10.772 -26.616 -22.816 1.00 0.00 WAT +ATOM 20533 H2 TIP3 4741 -11.323 -26.159 -21.478 1.00 0.00 WAT +ATOM 20534 OH2 TIP3 4742 -11.848 -26.157 -19.443 1.00 0.00 WAT +ATOM 20535 H1 TIP3 4742 -12.821 -26.109 -19.460 1.00 0.00 WAT +ATOM 20536 H2 TIP3 4742 -11.716 -27.070 -19.158 1.00 0.00 WAT +ATOM 20537 OH2 TIP3 4743 -8.769 -37.096 -7.939 1.00 0.00 WAT +ATOM 20538 H1 TIP3 4743 -9.288 -36.676 -8.638 1.00 0.00 WAT +ATOM 20539 H2 TIP3 4743 -8.707 -38.015 -8.255 1.00 0.00 WAT +ATOM 20540 OH2 TIP3 4744 -21.876 -30.397 -9.750 1.00 0.00 WAT +ATOM 20541 H1 TIP3 4744 -21.562 -30.925 -8.990 1.00 0.00 WAT +ATOM 20542 H2 TIP3 4744 -22.572 -30.949 -10.145 1.00 0.00 WAT +ATOM 20543 OH2 TIP3 4745 -18.601 -42.203 -13.874 1.00 0.00 WAT +ATOM 20544 H1 TIP3 4745 -19.426 -42.425 -14.327 1.00 0.00 WAT +ATOM 20545 H2 TIP3 4745 -18.839 -41.359 -13.461 1.00 0.00 WAT +ATOM 20546 OH2 TIP3 4746 -14.045 -42.635 -10.313 1.00 0.00 WAT +ATOM 20547 H1 TIP3 4746 -13.864 -43.075 -9.478 1.00 0.00 WAT +ATOM 20548 H2 TIP3 4746 -14.996 -42.772 -10.406 1.00 0.00 WAT +ATOM 20549 OH2 TIP3 4747 -11.075 -38.632 -9.890 1.00 0.00 WAT +ATOM 20550 H1 TIP3 4747 -11.657 -38.744 -9.117 1.00 0.00 WAT +ATOM 20551 H2 TIP3 4747 -11.127 -37.676 -10.068 1.00 0.00 WAT +ATOM 20552 OH2 TIP3 4748 -10.075 -33.608 -23.617 1.00 0.00 WAT +ATOM 20553 H1 TIP3 4748 -10.284 -33.795 -24.552 1.00 0.00 WAT +ATOM 20554 H2 TIP3 4748 -9.133 -33.374 -23.678 1.00 0.00 WAT +ATOM 20555 OH2 TIP3 4749 -14.426 -39.935 -23.161 1.00 0.00 WAT +ATOM 20556 H1 TIP3 4749 -14.967 -40.044 -22.353 1.00 0.00 WAT +ATOM 20557 H2 TIP3 4749 -14.924 -40.537 -23.757 1.00 0.00 WAT +ATOM 20558 OH2 TIP3 4750 -18.768 -37.163 -12.619 1.00 0.00 WAT +ATOM 20559 H1 TIP3 4750 -19.351 -37.022 -11.855 1.00 0.00 WAT +ATOM 20560 H2 TIP3 4750 -18.674 -36.252 -12.977 1.00 0.00 WAT +ATOM 20561 OH2 TIP3 4751 -18.819 -37.089 -17.727 1.00 0.00 WAT +ATOM 20562 H1 TIP3 4751 -19.777 -37.167 -17.889 1.00 0.00 WAT +ATOM 20563 H2 TIP3 4751 -18.471 -37.268 -18.622 1.00 0.00 WAT +ATOM 20564 OH2 TIP3 4752 -13.197 -36.518 -18.967 1.00 0.00 WAT +ATOM 20565 H1 TIP3 4752 -13.612 -35.687 -19.287 1.00 0.00 WAT +ATOM 20566 H2 TIP3 4752 -12.537 -36.676 -19.660 1.00 0.00 WAT +ATOM 20567 OH2 TIP3 4753 -14.005 -36.341 -7.669 1.00 0.00 WAT +ATOM 20568 H1 TIP3 4753 -14.525 -37.054 -7.250 1.00 0.00 WAT +ATOM 20569 H2 TIP3 4753 -13.147 -36.418 -7.210 1.00 0.00 WAT +ATOM 20570 OH2 TIP3 4754 -12.352 -37.115 -16.182 1.00 0.00 WAT +ATOM 20571 H1 TIP3 4754 -12.648 -36.535 -16.911 1.00 0.00 WAT +ATOM 20572 H2 TIP3 4754 -12.151 -37.924 -16.692 1.00 0.00 WAT +ATOM 20573 OH2 TIP3 4755 -21.400 -36.970 -10.809 1.00 0.00 WAT +ATOM 20574 H1 TIP3 4755 -21.123 -36.661 -9.939 1.00 0.00 WAT +ATOM 20575 H2 TIP3 4755 -21.786 -37.841 -10.594 1.00 0.00 WAT +ATOM 20576 OH2 TIP3 4756 -18.038 -39.418 -24.215 1.00 0.00 WAT +ATOM 20577 H1 TIP3 4756 -18.377 -39.775 -23.373 1.00 0.00 WAT +ATOM 20578 H2 TIP3 4756 -18.842 -39.286 -24.731 1.00 0.00 WAT +ATOM 20579 OH2 TIP3 4757 -24.618 -39.610 -17.149 1.00 0.00 WAT +ATOM 20580 H1 TIP3 4757 -24.043 -39.540 -16.361 1.00 0.00 WAT +ATOM 20581 H2 TIP3 4757 -24.016 -39.921 -17.834 1.00 0.00 WAT +ATOM 20582 OH2 TIP3 4758 -23.011 -39.119 -21.444 1.00 0.00 WAT +ATOM 20583 H1 TIP3 4758 -22.453 -38.608 -22.062 1.00 0.00 WAT +ATOM 20584 H2 TIP3 4758 -23.705 -38.461 -21.243 1.00 0.00 WAT +ATOM 20585 OH2 TIP3 4759 -13.280 -35.433 -11.750 1.00 0.00 WAT +ATOM 20586 H1 TIP3 4759 -12.824 -36.165 -12.223 1.00 0.00 WAT +ATOM 20587 H2 TIP3 4759 -13.571 -35.873 -10.940 1.00 0.00 WAT +ATOM 20588 OH2 TIP3 4760 -16.049 -39.439 -16.754 1.00 0.00 WAT +ATOM 20589 H1 TIP3 4760 -16.986 -39.578 -16.536 1.00 0.00 WAT +ATOM 20590 H2 TIP3 4760 -15.616 -39.711 -15.928 1.00 0.00 WAT +ATOM 20591 OH2 TIP3 4761 -21.489 -38.275 -18.031 1.00 0.00 WAT +ATOM 20592 H1 TIP3 4761 -22.288 -37.967 -18.499 1.00 0.00 WAT +ATOM 20593 H2 TIP3 4761 -21.223 -39.077 -18.520 1.00 0.00 WAT +ATOM 20594 OH2 TIP3 4762 -17.858 -37.918 -20.346 1.00 0.00 WAT +ATOM 20595 H1 TIP3 4762 -16.888 -37.842 -20.304 1.00 0.00 WAT +ATOM 20596 H2 TIP3 4762 -18.106 -37.318 -21.071 1.00 0.00 WAT +ATOM 20597 OH2 TIP3 4763 -11.704 -40.328 -13.714 1.00 0.00 WAT +ATOM 20598 H1 TIP3 4763 -12.322 -40.344 -12.953 1.00 0.00 WAT +ATOM 20599 H2 TIP3 4763 -12.303 -40.636 -14.416 1.00 0.00 WAT +ATOM 20600 OH2 TIP3 4764 -19.390 -36.719 -22.592 1.00 0.00 WAT +ATOM 20601 H1 TIP3 4764 -19.971 -36.961 -23.328 1.00 0.00 WAT +ATOM 20602 H2 TIP3 4764 -18.574 -36.486 -23.069 1.00 0.00 WAT +ATOM 20603 OH2 TIP3 4765 -20.749 -31.972 -7.615 1.00 0.00 WAT +ATOM 20604 H1 TIP3 4765 -20.056 -31.886 -6.924 1.00 0.00 WAT +ATOM 20605 H2 TIP3 4765 -21.541 -31.934 -7.048 1.00 0.00 WAT +ATOM 20606 OH2 TIP3 4766 -15.034 -36.942 -14.892 1.00 0.00 WAT +ATOM 20607 H1 TIP3 4766 -14.305 -37.383 -15.353 1.00 0.00 WAT +ATOM 20608 H2 TIP3 4766 -15.199 -37.551 -14.146 1.00 0.00 WAT +ATOM 20609 OH2 TIP3 4767 -19.906 -40.663 -18.686 1.00 0.00 WAT +ATOM 20610 H1 TIP3 4767 -20.345 -41.520 -18.540 1.00 0.00 WAT +ATOM 20611 H2 TIP3 4767 -19.038 -40.935 -19.021 1.00 0.00 WAT +ATOM 20612 OH2 TIP3 4768 -16.067 -38.489 -12.626 1.00 0.00 WAT +ATOM 20613 H1 TIP3 4768 -16.822 -37.878 -12.634 1.00 0.00 WAT +ATOM 20614 H2 TIP3 4768 -15.572 -38.213 -11.827 1.00 0.00 WAT +ATOM 20615 OH2 TIP3 4769 -15.916 -32.099 -20.747 1.00 0.00 WAT +ATOM 20616 H1 TIP3 4769 -16.681 -32.600 -21.101 1.00 0.00 WAT +ATOM 20617 H2 TIP3 4769 -16.131 -32.037 -19.787 1.00 0.00 WAT +ATOM 20618 OH2 TIP3 4770 -8.678 -32.973 -12.041 1.00 0.00 WAT +ATOM 20619 H1 TIP3 4770 -8.197 -32.401 -12.679 1.00 0.00 WAT +ATOM 20620 H2 TIP3 4770 -9.553 -33.045 -12.468 1.00 0.00 WAT +ATOM 20621 OH2 TIP3 4771 -11.756 -39.283 -23.153 1.00 0.00 WAT +ATOM 20622 H1 TIP3 4771 -12.735 -39.385 -23.105 1.00 0.00 WAT +ATOM 20623 H2 TIP3 4771 -11.569 -38.631 -22.448 1.00 0.00 WAT +ATOM 20624 OH2 TIP3 4772 -14.342 -32.004 -9.441 1.00 0.00 WAT +ATOM 20625 H1 TIP3 4772 -14.557 -32.352 -8.564 1.00 0.00 WAT +ATOM 20626 H2 TIP3 4772 -14.598 -31.076 -9.359 1.00 0.00 WAT +ATOM 20627 OH2 TIP3 4773 -11.100 -37.497 -20.996 1.00 0.00 WAT +ATOM 20628 H1 TIP3 4773 -10.242 -37.632 -20.546 1.00 0.00 WAT +ATOM 20629 H2 TIP3 4773 -11.004 -36.596 -21.356 1.00 0.00 WAT +ATOM 20630 OH2 TIP3 4774 -20.772 -32.722 -14.911 1.00 0.00 WAT +ATOM 20631 H1 TIP3 4774 -20.214 -32.814 -15.698 1.00 0.00 WAT +ATOM 20632 H2 TIP3 4774 -20.719 -33.600 -14.505 1.00 0.00 WAT +ATOM 20633 OH2 TIP3 4775 -13.537 -30.724 -21.857 1.00 0.00 WAT +ATOM 20634 H1 TIP3 4775 -13.778 -29.875 -21.432 1.00 0.00 WAT +ATOM 20635 H2 TIP3 4775 -14.266 -31.295 -21.555 1.00 0.00 WAT +ATOM 20636 OH2 TIP3 4776 -23.531 -34.429 -9.653 1.00 0.00 WAT +ATOM 20637 H1 TIP3 4776 -23.356 -34.885 -8.807 1.00 0.00 WAT +ATOM 20638 H2 TIP3 4776 -24.109 -35.050 -10.124 1.00 0.00 WAT +ATOM 20639 OH2 TIP3 4777 -16.558 -34.948 -7.668 1.00 0.00 WAT +ATOM 20640 H1 TIP3 4777 -16.885 -35.162 -8.558 1.00 0.00 WAT +ATOM 20641 H2 TIP3 4777 -15.614 -35.167 -7.766 1.00 0.00 WAT +ATOM 20642 OH2 TIP3 4778 -12.007 -29.457 -9.898 1.00 0.00 WAT +ATOM 20643 H1 TIP3 4778 -12.951 -29.238 -9.895 1.00 0.00 WAT +ATOM 20644 H2 TIP3 4778 -11.742 -29.216 -8.991 1.00 0.00 WAT +ATOM 20645 OH2 TIP3 4779 -6.479 -37.470 -21.187 1.00 0.00 WAT +ATOM 20646 H1 TIP3 4779 -7.050 -37.665 -21.956 1.00 0.00 WAT +ATOM 20647 H2 TIP3 4779 -6.368 -36.509 -21.318 1.00 0.00 WAT +ATOM 20648 OH2 TIP3 4780 -6.095 -31.576 -8.365 1.00 0.00 WAT +ATOM 20649 H1 TIP3 4780 -6.944 -31.109 -8.496 1.00 0.00 WAT +ATOM 20650 H2 TIP3 4780 -5.670 -31.426 -9.226 1.00 0.00 WAT +ATOM 20651 OH2 TIP3 4781 -8.271 -28.794 -21.049 1.00 0.00 WAT +ATOM 20652 H1 TIP3 4781 -8.555 -29.568 -20.536 1.00 0.00 WAT +ATOM 20653 H2 TIP3 4781 -7.779 -29.187 -21.783 1.00 0.00 WAT +ATOM 20654 OH2 TIP3 4782 -11.032 -33.487 -13.726 1.00 0.00 WAT +ATOM 20655 H1 TIP3 4782 -11.971 -33.646 -13.939 1.00 0.00 WAT +ATOM 20656 H2 TIP3 4782 -10.602 -34.221 -14.204 1.00 0.00 WAT +ATOM 20657 OH2 TIP3 4783 -18.387 -29.444 -17.765 1.00 0.00 WAT +ATOM 20658 H1 TIP3 4783 -18.008 -28.551 -17.780 1.00 0.00 WAT +ATOM 20659 H2 TIP3 4783 -19.333 -29.256 -17.834 1.00 0.00 WAT +ATOM 20660 OH2 TIP3 4784 -22.417 -34.619 -23.066 1.00 0.00 WAT +ATOM 20661 H1 TIP3 4784 -21.839 -33.948 -22.657 1.00 0.00 WAT +ATOM 20662 H2 TIP3 4784 -23.289 -34.357 -22.712 1.00 0.00 WAT +ATOM 20663 OH2 TIP3 4785 -16.569 -31.715 -18.066 1.00 0.00 WAT +ATOM 20664 H1 TIP3 4785 -16.910 -30.816 -17.916 1.00 0.00 WAT +ATOM 20665 H2 TIP3 4785 -17.253 -32.243 -17.626 1.00 0.00 WAT +ATOM 20666 OH2 TIP3 4786 -16.381 -27.512 -11.686 1.00 0.00 WAT +ATOM 20667 H1 TIP3 4786 -15.816 -26.772 -11.963 1.00 0.00 WAT +ATOM 20668 H2 TIP3 4786 -15.803 -27.963 -11.045 1.00 0.00 WAT +ATOM 20669 OH2 TIP3 4787 -17.960 -26.511 -18.483 1.00 0.00 WAT +ATOM 20670 H1 TIP3 4787 -18.919 -26.406 -18.353 1.00 0.00 WAT +ATOM 20671 H2 TIP3 4787 -17.630 -25.637 -18.211 1.00 0.00 WAT +ATOM 20672 OH2 TIP3 4788 -13.017 -31.717 -12.147 1.00 0.00 WAT +ATOM 20673 H1 TIP3 4788 -13.294 -31.934 -11.238 1.00 0.00 WAT +ATOM 20674 H2 TIP3 4788 -12.247 -32.297 -12.262 1.00 0.00 WAT +ATOM 20675 OH2 TIP3 4789 -10.815 -30.393 -23.193 1.00 0.00 WAT +ATOM 20676 H1 TIP3 4789 -10.421 -30.890 -22.451 1.00 0.00 WAT +ATOM 20677 H2 TIP3 4789 -11.754 -30.535 -22.980 1.00 0.00 WAT +ATOM 20678 OH2 TIP3 4790 -9.789 -27.102 -9.608 1.00 0.00 WAT +ATOM 20679 H1 TIP3 4790 -10.660 -27.420 -9.885 1.00 0.00 WAT +ATOM 20680 H2 TIP3 4790 -9.764 -26.189 -9.930 1.00 0.00 WAT +ATOM 20681 OH2 TIP3 4791 -6.136 -26.125 -22.691 1.00 0.00 WAT +ATOM 20682 H1 TIP3 4791 -5.456 -25.472 -22.931 1.00 0.00 WAT +ATOM 20683 H2 TIP3 4791 -6.900 -25.533 -22.600 1.00 0.00 WAT +ATOM 20684 OH2 TIP3 4792 -22.195 -39.611 -10.065 1.00 0.00 WAT +ATOM 20685 H1 TIP3 4792 -23.103 -39.423 -10.389 1.00 0.00 WAT +ATOM 20686 H2 TIP3 4792 -22.360 -40.478 -9.637 1.00 0.00 WAT +ATOM 20687 OH2 TIP3 4793 -9.861 -31.803 -20.846 1.00 0.00 WAT +ATOM 20688 H1 TIP3 4793 -10.159 -32.506 -20.242 1.00 0.00 WAT +ATOM 20689 H2 TIP3 4793 -8.899 -31.823 -20.714 1.00 0.00 WAT +ATOM 20690 OH2 TIP3 4794 -22.426 -27.887 -11.594 1.00 0.00 WAT +ATOM 20691 H1 TIP3 4794 -22.364 -28.843 -11.731 1.00 0.00 WAT +ATOM 20692 H2 TIP3 4794 -22.072 -27.798 -10.706 1.00 0.00 WAT +ATOM 20693 OH2 TIP3 4795 -16.579 -29.368 -24.630 1.00 0.00 WAT +ATOM 20694 H1 TIP3 4795 -16.311 -30.170 -25.116 1.00 0.00 WAT +ATOM 20695 H2 TIP3 4795 -17.016 -29.755 -23.850 1.00 0.00 WAT +ATOM 20696 OH2 TIP3 4796 -17.723 -29.840 -21.947 1.00 0.00 WAT +ATOM 20697 H1 TIP3 4796 -17.277 -30.374 -21.275 1.00 0.00 WAT +ATOM 20698 H2 TIP3 4796 -17.613 -28.932 -21.593 1.00 0.00 WAT +ATOM 20699 OH2 TIP3 4797 -20.914 -32.408 -21.536 1.00 0.00 WAT +ATOM 20700 H1 TIP3 4797 -21.644 -32.036 -20.998 1.00 0.00 WAT +ATOM 20701 H2 TIP3 4797 -20.445 -31.595 -21.785 1.00 0.00 WAT +ATOM 20702 OH2 TIP3 4798 -13.273 -40.093 -11.429 1.00 0.00 WAT +ATOM 20703 H1 TIP3 4798 -12.677 -39.797 -10.726 1.00 0.00 WAT +ATOM 20704 H2 TIP3 4798 -13.645 -40.919 -11.070 1.00 0.00 WAT +ATOM 20705 OH2 TIP3 4799 -12.479 -40.577 -20.262 1.00 0.00 WAT +ATOM 20706 H1 TIP3 4799 -12.450 -39.963 -21.009 1.00 0.00 WAT +ATOM 20707 H2 TIP3 4799 -12.145 -40.024 -19.536 1.00 0.00 WAT +ATOM 20708 OH2 TIP3 4800 -14.741 -28.173 -21.292 1.00 0.00 WAT +ATOM 20709 H1 TIP3 4800 -15.587 -27.738 -21.094 1.00 0.00 WAT +ATOM 20710 H2 TIP3 4800 -14.492 -27.757 -22.129 1.00 0.00 WAT +ATOM 20711 OH2 TIP3 4801 -15.161 -38.515 -19.260 1.00 0.00 WAT +ATOM 20712 H1 TIP3 4801 -14.430 -37.879 -19.111 1.00 0.00 WAT +ATOM 20713 H2 TIP3 4801 -15.471 -38.676 -18.345 1.00 0.00 WAT +ATOM 20714 OH2 TIP3 4802 -14.846 -37.625 -10.140 1.00 0.00 WAT +ATOM 20715 H1 TIP3 4802 -14.771 -37.090 -9.329 1.00 0.00 WAT +ATOM 20716 H2 TIP3 4802 -14.253 -38.360 -9.945 1.00 0.00 WAT +ATOM 20717 OH2 TIP3 4803 -14.446 -41.730 -18.249 1.00 0.00 WAT +ATOM 20718 H1 TIP3 4803 -14.788 -40.974 -17.742 1.00 0.00 WAT +ATOM 20719 H2 TIP3 4803 -13.912 -41.288 -18.932 1.00 0.00 WAT +ATOM 20720 OH2 TIP3 4804 -17.578 -27.151 -21.292 1.00 0.00 WAT +ATOM 20721 H1 TIP3 4804 -17.664 -26.327 -21.816 1.00 0.00 WAT +ATOM 20722 H2 TIP3 4804 -17.744 -26.830 -20.385 1.00 0.00 WAT +ATOM 20723 OH2 TIP3 4805 -18.909 -40.504 -21.774 1.00 0.00 WAT +ATOM 20724 H1 TIP3 4805 -18.885 -39.691 -21.237 1.00 0.00 WAT +ATOM 20725 H2 TIP3 4805 -18.036 -40.879 -21.546 1.00 0.00 WAT +ATOM 20726 OH2 TIP3 4806 -8.459 -39.637 -9.322 1.00 0.00 WAT +ATOM 20727 H1 TIP3 4806 -9.425 -39.527 -9.419 1.00 0.00 WAT +ATOM 20728 H2 TIP3 4806 -8.246 -39.862 -10.239 1.00 0.00 WAT +ATOM 20729 OH2 TIP3 4807 -10.026 -35.749 -15.252 1.00 0.00 WAT +ATOM 20730 H1 TIP3 4807 -10.860 -36.195 -15.488 1.00 0.00 WAT +ATOM 20731 H2 TIP3 4807 -9.548 -36.455 -14.763 1.00 0.00 WAT +ATOM 20732 OH2 TIP3 4808 -20.472 -29.587 -22.777 1.00 0.00 WAT +ATOM 20733 H1 TIP3 4808 -19.742 -29.103 -22.355 1.00 0.00 WAT +ATOM 20734 H2 TIP3 4808 -19.967 -30.108 -23.421 1.00 0.00 WAT +ATOM 20735 OH2 TIP3 4809 -22.322 -37.438 -23.660 1.00 0.00 WAT +ATOM 20736 H1 TIP3 4809 -22.201 -36.499 -23.420 1.00 0.00 WAT +ATOM 20737 H2 TIP3 4809 -23.207 -37.430 -24.047 1.00 0.00 WAT +ATOM 20738 OH2 TIP3 4810 -9.110 -26.671 -13.820 1.00 0.00 WAT +ATOM 20739 H1 TIP3 4810 -9.000 -25.869 -14.360 1.00 0.00 WAT +ATOM 20740 H2 TIP3 4810 -8.236 -26.729 -13.404 1.00 0.00 WAT +ATOM 20741 OH2 TIP3 4811 -22.221 -42.438 -14.681 1.00 0.00 WAT +ATOM 20742 H1 TIP3 4811 -21.803 -42.414 -15.550 1.00 0.00 WAT +ATOM 20743 H2 TIP3 4811 -21.973 -43.337 -14.413 1.00 0.00 WAT +ATOM 20744 OH2 TIP3 4812 -22.523 -28.956 -18.666 1.00 0.00 WAT +ATOM 20745 H1 TIP3 4812 -23.229 -28.466 -18.218 1.00 0.00 WAT +ATOM 20746 H2 TIP3 4812 -22.183 -28.309 -19.303 1.00 0.00 WAT +ATOM 20747 OH2 TIP3 4813 -23.087 -25.970 -7.414 1.00 0.00 WAT +ATOM 20748 H1 TIP3 4813 -22.456 -26.349 -6.786 1.00 0.00 WAT +ATOM 20749 H2 TIP3 4813 -23.495 -26.788 -7.765 1.00 0.00 WAT +ATOM 20750 OH2 TIP3 4814 -14.373 -27.674 -24.120 1.00 0.00 WAT +ATOM 20751 H1 TIP3 4814 -15.143 -28.276 -24.227 1.00 0.00 WAT +ATOM 20752 H2 TIP3 4814 -13.674 -28.233 -24.495 1.00 0.00 WAT +ATOM 20753 OH2 TIP3 4815 -11.728 -28.746 -7.065 1.00 0.00 WAT +ATOM 20754 H1 TIP3 4815 -12.270 -29.441 -6.649 1.00 0.00 WAT +ATOM 20755 H2 TIP3 4815 -11.122 -28.531 -6.343 1.00 0.00 WAT +ATOM 20756 OH2 TIP3 4816 -9.744 -27.740 -24.006 1.00 0.00 WAT +ATOM 20757 H1 TIP3 4816 -9.630 -28.575 -23.520 1.00 0.00 WAT +ATOM 20758 H2 TIP3 4816 -8.951 -27.720 -24.569 1.00 0.00 WAT +ATOM 20759 OH2 TIP3 4817 -23.182 -32.359 -6.304 1.00 0.00 WAT +ATOM 20760 H1 TIP3 4817 -23.061 -33.246 -6.676 1.00 0.00 WAT +ATOM 20761 H2 TIP3 4817 -23.926 -32.035 -6.847 1.00 0.00 WAT +ATOM 20762 OH2 TIP3 4818 -18.939 -31.929 -24.299 1.00 0.00 WAT +ATOM 20763 H1 TIP3 4818 -18.793 -32.515 -23.537 1.00 0.00 WAT +ATOM 20764 H2 TIP3 4818 -18.073 -31.982 -24.742 1.00 0.00 WAT +ATOM 20765 OH2 TIP3 4819 -16.530 -32.144 -6.947 1.00 0.00 WAT +ATOM 20766 H1 TIP3 4819 -16.812 -31.783 -7.805 1.00 0.00 WAT +ATOM 20767 H2 TIP3 4819 -16.464 -33.103 -7.119 1.00 0.00 WAT +ATOM 20768 OH2 TIP3 4820 -13.683 -30.596 -24.683 1.00 0.00 WAT +ATOM 20769 H1 TIP3 4820 -13.761 -30.643 -23.712 1.00 0.00 WAT +ATOM 20770 H2 TIP3 4820 -13.752 -31.550 -24.901 1.00 0.00 WAT +ATOM 20771 OH2 TIP3 4821 -11.165 -32.508 -9.604 1.00 0.00 WAT +ATOM 20772 H1 TIP3 4821 -10.362 -31.974 -9.736 1.00 0.00 WAT +ATOM 20773 H2 TIP3 4821 -11.839 -31.811 -9.562 1.00 0.00 WAT +ATOM 20774 OH2 TIP3 4822 -22.307 -35.259 -7.143 1.00 0.00 WAT +ATOM 20775 H1 TIP3 4822 -21.536 -35.852 -7.124 1.00 0.00 WAT +ATOM 20776 H2 TIP3 4822 -22.338 -34.982 -6.212 1.00 0.00 WAT +ATOM 20777 OH2 TIP3 4823 -17.860 -33.844 -21.960 1.00 0.00 WAT +ATOM 20778 H1 TIP3 4823 -18.471 -34.341 -21.395 1.00 0.00 WAT +ATOM 20779 H2 TIP3 4823 -17.564 -34.538 -22.584 1.00 0.00 WAT +ATOM 20780 OH2 TIP3 4824 -18.653 -36.095 -9.710 1.00 0.00 WAT +ATOM 20781 H1 TIP3 4824 -19.184 -35.302 -9.509 1.00 0.00 WAT +ATOM 20782 H2 TIP3 4824 -17.991 -35.730 -10.325 1.00 0.00 WAT +ATOM 20783 OH2 TIP3 4825 -16.912 -35.832 -23.694 1.00 0.00 WAT +ATOM 20784 H1 TIP3 4825 -16.953 -35.760 -24.665 1.00 0.00 WAT +ATOM 20785 H2 TIP3 4825 -15.949 -35.873 -23.543 1.00 0.00 WAT +ATOM 20786 OH2 TIP3 4826 -13.368 -33.397 -6.188 1.00 0.00 WAT +ATOM 20787 H1 TIP3 4826 -12.438 -33.524 -6.421 1.00 0.00 WAT +ATOM 20788 H2 TIP3 4826 -13.567 -34.209 -5.704 1.00 0.00 WAT +ATOM 20789 OH2 TIP3 4827 -7.380 -33.310 -24.377 1.00 0.00 WAT +ATOM 20790 H1 TIP3 4827 -7.495 -33.747 -25.233 1.00 0.00 WAT +ATOM 20791 H2 TIP3 4827 -7.513 -32.369 -24.626 1.00 0.00 WAT +ATOM 20792 OH2 TIP3 4828 -18.063 -38.796 -8.597 1.00 0.00 WAT +ATOM 20793 H1 TIP3 4828 -17.960 -39.431 -9.323 1.00 0.00 WAT +ATOM 20794 H2 TIP3 4828 -18.253 -37.972 -9.082 1.00 0.00 WAT +ATOM 20795 OH2 TIP3 4829 -17.665 -40.381 -11.180 1.00 0.00 WAT +ATOM 20796 H1 TIP3 4829 -17.135 -39.814 -11.778 1.00 0.00 WAT +ATOM 20797 H2 TIP3 4829 -18.574 -40.252 -11.518 1.00 0.00 WAT +ATOM 20798 OH2 TIP3 4830 -16.165 -34.879 -10.710 1.00 0.00 WAT +ATOM 20799 H1 TIP3 4830 -15.325 -34.946 -11.189 1.00 0.00 WAT +ATOM 20800 H2 TIP3 4830 -16.481 -34.003 -11.009 1.00 0.00 WAT +ATOM 20801 OH2 TIP3 4831 -11.606 -36.939 -5.940 1.00 0.00 WAT +ATOM 20802 H1 TIP3 4831 -11.364 -37.862 -5.767 1.00 0.00 WAT +ATOM 20803 H2 TIP3 4831 -10.735 -36.512 -5.969 1.00 0.00 WAT +ATOM 20804 OH2 TIP3 4832 -10.595 -34.171 -7.486 1.00 0.00 WAT +ATOM 20805 H1 TIP3 4832 -10.955 -33.530 -8.135 1.00 0.00 WAT +ATOM 20806 H2 TIP3 4832 -9.684 -34.261 -7.830 1.00 0.00 WAT +ATOM 20807 OH2 TIP3 4833 -19.845 -36.969 -6.745 1.00 0.00 WAT +ATOM 20808 H1 TIP3 4833 -20.349 -37.800 -6.772 1.00 0.00 WAT +ATOM 20809 H2 TIP3 4833 -19.032 -37.218 -7.210 1.00 0.00 WAT +ATOM 20810 OH2 TIP3 4834 -17.203 -42.775 -9.947 1.00 0.00 WAT +ATOM 20811 H1 TIP3 4834 -17.060 -41.874 -10.305 1.00 0.00 WAT +ATOM 20812 H2 TIP3 4834 -18.135 -42.880 -10.175 1.00 0.00 WAT +ATOM 20813 OH2 TIP3 4835 -15.707 -38.464 -6.999 1.00 0.00 WAT +ATOM 20814 H1 TIP3 4835 -16.030 -38.696 -6.111 1.00 0.00 WAT +ATOM 20815 H2 TIP3 4835 -16.521 -38.632 -7.517 1.00 0.00 WAT +ATOM 20816 OH2 TIP3 4836 -13.136 -39.470 -8.035 1.00 0.00 WAT +ATOM 20817 H1 TIP3 4836 -14.016 -39.293 -7.652 1.00 0.00 WAT +ATOM 20818 H2 TIP3 4836 -12.760 -40.091 -7.386 1.00 0.00 WAT +ATOM 20819 OH2 TIP3 4837 -11.398 -41.377 -6.329 1.00 0.00 WAT +ATOM 20820 H1 TIP3 4837 -11.549 -42.239 -5.925 1.00 0.00 WAT +ATOM 20821 H2 TIP3 4837 -11.531 -40.764 -5.587 1.00 0.00 WAT +ATOM 20822 OH2 TIP3 4838 -21.035 -39.604 -6.888 1.00 0.00 WAT +ATOM 20823 H1 TIP3 4838 -21.311 -40.195 -7.608 1.00 0.00 WAT +ATOM 20824 H2 TIP3 4838 -21.506 -39.973 -6.126 1.00 0.00 WAT +ATOM 20825 OH2 TIP3 4839 -16.094 -41.487 -5.863 1.00 0.00 WAT +ATOM 20826 H1 TIP3 4839 -16.337 -42.285 -6.367 1.00 0.00 WAT +ATOM 20827 H2 TIP3 4839 -16.921 -40.974 -5.842 1.00 0.00 WAT +ATOM 20828 OH2 TIP3 4840 -17.138 -24.575 -22.585 1.00 0.00 WAT +ATOM 20829 H1 TIP3 4840 -16.177 -24.489 -22.504 1.00 0.00 WAT +ATOM 20830 H2 TIP3 4840 -17.288 -24.161 -23.444 1.00 0.00 WAT +ATOM 20831 OH2 TIP3 4841 -23.238 -30.181 -23.101 1.00 0.00 WAT +ATOM 20832 H1 TIP3 4841 -22.289 -30.010 -22.919 1.00 0.00 WAT +ATOM 20833 H2 TIP3 4841 -23.200 -30.992 -23.644 1.00 0.00 WAT +ATOM 20834 OH2 TIP3 4842 -24.211 -25.024 -18.338 1.00 0.00 WAT +ATOM 20835 H1 TIP3 4842 -24.948 -25.389 -18.864 1.00 0.00 WAT +ATOM 20836 H2 TIP3 4842 -24.109 -25.704 -17.641 1.00 0.00 WAT +ATOM 20837 OH2 TIP3 4843 -23.769 -27.008 -16.336 1.00 0.00 WAT +ATOM 20838 H1 TIP3 4843 -24.177 -27.853 -16.046 1.00 0.00 WAT +ATOM 20839 H2 TIP3 4843 -23.466 -26.698 -15.468 1.00 0.00 WAT +ATOM 20840 OH2 TIP3 4844 -6.294 -25.717 -13.319 1.00 0.00 WAT +ATOM 20841 H1 TIP3 4844 -6.240 -25.773 -12.344 1.00 0.00 WAT +ATOM 20842 H2 TIP3 4844 -5.374 -25.526 -13.548 1.00 0.00 WAT +ATOM 20843 OH2 TIP3 4845 -6.323 -26.125 -10.509 1.00 0.00 WAT +ATOM 20844 H1 TIP3 4845 -7.009 -26.792 -10.671 1.00 0.00 WAT +ATOM 20845 H2 TIP3 4845 -5.962 -26.490 -9.684 1.00 0.00 WAT +ATOM 20846 OH2 TIP3 4846 -8.235 -30.648 -5.983 1.00 0.00 WAT +ATOM 20847 H1 TIP3 4846 -9.167 -30.578 -5.718 1.00 0.00 WAT +ATOM 20848 H2 TIP3 4846 -7.860 -29.847 -5.574 1.00 0.00 WAT +ATOM 20849 OH2 TIP3 4847 -6.985 -31.955 -20.444 1.00 0.00 WAT +ATOM 20850 H1 TIP3 4847 -6.097 -31.638 -20.213 1.00 0.00 WAT +ATOM 20851 H2 TIP3 4847 -7.131 -32.593 -19.722 1.00 0.00 WAT +ATOM 20852 OH2 TIP3 4848 -6.542 -33.986 -18.472 1.00 0.00 WAT +ATOM 20853 H1 TIP3 4848 -7.236 -34.535 -18.051 1.00 0.00 WAT +ATOM 20854 H2 TIP3 4848 -5.884 -33.873 -17.762 1.00 0.00 WAT +ATOM 20855 OH2 TIP3 4849 -6.842 -31.500 -13.486 1.00 0.00 WAT +ATOM 20856 H1 TIP3 4849 -6.165 -31.954 -14.010 1.00 0.00 WAT +ATOM 20857 H2 TIP3 4849 -6.721 -30.572 -13.743 1.00 0.00 WAT +ATOM 20858 OH2 TIP3 4850 -8.100 -28.494 -11.357 1.00 0.00 WAT +ATOM 20859 H1 TIP3 4850 -8.689 -28.131 -10.664 1.00 0.00 WAT +ATOM 20860 H2 TIP3 4850 -8.711 -28.952 -11.953 1.00 0.00 WAT +ATOM 20861 OH2 TIP3 4851 -6.258 -34.514 -21.898 1.00 0.00 WAT +ATOM 20862 H1 TIP3 4851 -6.799 -34.257 -22.669 1.00 0.00 WAT +ATOM 20863 H2 TIP3 4851 -6.453 -33.787 -21.287 1.00 0.00 WAT +ATOM 20864 OH2 TIP3 4852 -8.020 -36.972 -23.631 1.00 0.00 WAT +ATOM 20865 H1 TIP3 4852 -7.744 -36.397 -24.357 1.00 0.00 WAT +ATOM 20866 H2 TIP3 4852 -8.274 -37.791 -24.095 1.00 0.00 WAT +ATOM 20867 OH2 TIP3 4853 -8.594 -35.829 -17.646 1.00 0.00 WAT +ATOM 20868 H1 TIP3 4853 -8.677 -36.781 -17.823 1.00 0.00 WAT +ATOM 20869 H2 TIP3 4853 -8.986 -35.751 -16.751 1.00 0.00 WAT +ATOM 20870 OH2 TIP3 4854 -23.903 -33.668 -13.854 1.00 0.00 WAT +ATOM 20871 H1 TIP3 4854 -23.825 -33.281 -14.741 1.00 0.00 WAT +ATOM 20872 H2 TIP3 4854 -22.970 -33.688 -13.575 1.00 0.00 WAT +ATOM 20873 OH2 TIP3 4855 -7.974 -33.901 -8.513 1.00 0.00 WAT +ATOM 20874 H1 TIP3 4855 -7.241 -34.508 -8.299 1.00 0.00 WAT +ATOM 20875 H2 TIP3 4855 -7.505 -33.064 -8.672 1.00 0.00 WAT +ATOM 20876 OH2 TIP3 4856 -6.449 -35.828 -7.291 1.00 0.00 WAT +ATOM 20877 H1 TIP3 4856 -7.242 -36.361 -7.509 1.00 0.00 WAT +ATOM 20878 H2 TIP3 4856 -5.750 -36.506 -7.304 1.00 0.00 WAT +ATOM 20879 OH2 TIP3 4857 -8.603 -39.674 -24.447 1.00 0.00 WAT +ATOM 20880 H1 TIP3 4857 -8.010 -40.127 -23.821 1.00 0.00 WAT +ATOM 20881 H2 TIP3 4857 -9.421 -40.184 -24.372 1.00 0.00 WAT +ATOM 20882 OH2 TIP3 4858 -8.777 -38.271 -19.456 1.00 0.00 WAT +ATOM 20883 H1 TIP3 4858 -8.613 -39.241 -19.393 1.00 0.00 WAT +ATOM 20884 H2 TIP3 4858 -7.947 -37.984 -19.874 1.00 0.00 WAT +ATOM 20885 OH2 TIP3 4859 -8.516 -37.744 -14.063 1.00 0.00 WAT +ATOM 20886 H1 TIP3 4859 -7.539 -37.672 -14.066 1.00 0.00 WAT +ATOM 20887 H2 TIP3 4859 -8.673 -37.750 -13.103 1.00 0.00 WAT +ATOM 20888 OH2 TIP3 4860 -8.376 -37.064 -11.215 1.00 0.00 WAT +ATOM 20889 H1 TIP3 4860 -9.212 -36.640 -10.942 1.00 0.00 WAT +ATOM 20890 H2 TIP3 4860 -7.821 -36.288 -11.423 1.00 0.00 WAT +ATOM 20891 OH2 TIP3 4861 -23.922 -38.364 -7.427 1.00 0.00 WAT +ATOM 20892 H1 TIP3 4861 -22.992 -38.567 -7.601 1.00 0.00 WAT +ATOM 20893 H2 TIP3 4861 -24.332 -39.243 -7.444 1.00 0.00 WAT +ATOM 20894 OH2 TIP3 4862 -6.196 -42.772 -5.426 1.00 0.00 WAT +ATOM 20895 H1 TIP3 4862 -5.723 -43.571 -5.679 1.00 0.00 WAT +ATOM 20896 H2 TIP3 4862 -6.203 -42.185 -6.218 1.00 0.00 WAT +ATOM 20897 OH2 TIP3 4863 -8.475 -40.987 -19.372 1.00 0.00 WAT +ATOM 20898 H1 TIP3 4863 -8.255 -41.491 -18.576 1.00 0.00 WAT +ATOM 20899 H2 TIP3 4863 -9.100 -41.593 -19.813 1.00 0.00 WAT +ATOM 20900 OH2 TIP3 4864 -23.156 -39.903 -14.758 1.00 0.00 WAT +ATOM 20901 H1 TIP3 4864 -22.842 -40.826 -14.634 1.00 0.00 WAT +ATOM 20902 H2 TIP3 4864 -22.419 -39.394 -14.371 1.00 0.00 WAT +ATOM 20903 OH2 TIP3 4865 -24.541 -37.296 -13.723 1.00 0.00 WAT +ATOM 20904 H1 TIP3 4865 -23.941 -37.288 -14.486 1.00 0.00 WAT +ATOM 20905 H2 TIP3 4865 -24.205 -36.538 -13.225 1.00 0.00 WAT +ATOM 20906 OH2 TIP3 4866 -6.420 -41.130 -7.584 1.00 0.00 WAT +ATOM 20907 H1 TIP3 4866 -7.265 -40.646 -7.494 1.00 0.00 WAT +ATOM 20908 H2 TIP3 4866 -6.519 -41.454 -8.497 1.00 0.00 WAT +ATOM 20909 OH2 TIP3 4867 -6.341 -40.564 -22.769 1.00 0.00 WAT +ATOM 20910 H1 TIP3 4867 -6.175 -41.422 -23.216 1.00 0.00 WAT +ATOM 20911 H2 TIP3 4867 -5.466 -40.153 -22.758 1.00 0.00 WAT +ATOM 20912 OH2 TIP3 4868 -24.011 -41.064 -19.697 1.00 0.00 WAT +ATOM 20913 H1 TIP3 4868 -24.962 -40.917 -19.839 1.00 0.00 WAT +ATOM 20914 H2 TIP3 4868 -23.606 -40.346 -20.228 1.00 0.00 WAT +ATOM 20915 OH2 TIP3 4869 -9.066 -25.290 -17.778 1.00 0.00 WAT +ATOM 20916 H1 TIP3 4869 -8.702 -25.999 -18.340 1.00 0.00 WAT +ATOM 20917 H2 TIP3 4869 -8.679 -25.498 -16.906 1.00 0.00 WAT +ATOM 20918 OH2 TIP3 4870 -24.217 -41.283 -11.132 1.00 0.00 WAT +ATOM 20919 H1 TIP3 4870 -24.247 -42.225 -10.875 1.00 0.00 WAT +ATOM 20920 H2 TIP3 4870 -24.436 -41.333 -12.073 1.00 0.00 WAT +ATOM 20921 OH2 TIP3 4871 -22.009 -28.928 -6.789 1.00 0.00 WAT +ATOM 20922 H1 TIP3 4871 -22.698 -29.004 -7.465 1.00 0.00 WAT +ATOM 20923 H2 TIP3 4871 -22.500 -29.069 -5.970 1.00 0.00 WAT +ATOM 20924 OH2 TIP3 4872 -19.161 -27.973 -11.062 1.00 0.00 WAT +ATOM 20925 H1 TIP3 4872 -19.486 -27.126 -11.409 1.00 0.00 WAT +ATOM 20926 H2 TIP3 4872 -18.208 -27.877 -11.259 1.00 0.00 WAT +ATOM 20927 OH2 TIP3 4873 -12.572 -25.255 -8.683 1.00 0.00 WAT +ATOM 20928 H1 TIP3 4873 -11.913 -25.947 -8.788 1.00 0.00 WAT +ATOM 20929 H2 TIP3 4873 -12.396 -24.952 -7.780 1.00 0.00 WAT +ATOM 20930 OH2 TIP3 4874 -7.794 -42.781 -9.685 1.00 0.00 WAT +ATOM 20931 H1 TIP3 4874 -8.278 -42.129 -10.221 1.00 0.00 WAT +ATOM 20932 H2 TIP3 4874 -7.643 -43.462 -10.360 1.00 0.00 WAT +ATOM 20933 OH2 TIP3 4875 -21.711 -24.897 -10.685 1.00 0.00 WAT +ATOM 20934 H1 TIP3 4875 -22.314 -24.353 -11.219 1.00 0.00 WAT +ATOM 20935 H2 TIP3 4875 -22.264 -25.098 -9.925 1.00 0.00 WAT +ATOM 20936 OH2 TIP3 4876 -19.194 -25.226 -12.179 1.00 0.00 WAT +ATOM 20937 H1 TIP3 4876 -20.046 -25.060 -11.732 1.00 0.00 WAT +ATOM 20938 H2 TIP3 4876 -19.188 -24.539 -12.868 1.00 0.00 WAT +ATOM 20939 OH2 TIP3 4877 -14.549 -25.286 -12.678 1.00 0.00 WAT +ATOM 20940 H1 TIP3 4877 -14.953 -24.758 -13.386 1.00 0.00 WAT +ATOM 20941 H2 TIP3 4877 -14.452 -24.617 -11.966 1.00 0.00 WAT +ATOM 20942 OH2 TIP3 4878 -12.027 -26.371 -11.699 1.00 0.00 WAT +ATOM 20943 H1 TIP3 4878 -12.947 -26.191 -11.948 1.00 0.00 WAT +ATOM 20944 H2 TIP3 4878 -11.662 -25.482 -11.658 1.00 0.00 WAT +ATOM 20945 OH2 TIP3 4879 -9.398 -24.464 -11.488 1.00 0.00 WAT +ATOM 20946 H1 TIP3 4879 -9.844 -23.688 -11.832 1.00 0.00 WAT +ATOM 20947 H2 TIP3 4879 -9.364 -25.082 -12.227 1.00 0.00 WAT +ATOM 20948 OH2 TIP3 4880 -22.215 -26.206 -13.829 1.00 0.00 WAT +ATOM 20949 H1 TIP3 4880 -22.334 -26.761 -13.020 1.00 0.00 WAT +ATOM 20950 H2 TIP3 4880 -21.512 -26.715 -14.273 1.00 0.00 WAT +ATOM 20951 OH2 TIP3 4881 -20.189 -27.492 -15.479 1.00 0.00 WAT +ATOM 20952 H1 TIP3 4881 -20.412 -28.389 -15.135 1.00 0.00 WAT +ATOM 20953 H2 TIP3 4881 -19.312 -27.352 -15.079 1.00 0.00 WAT +ATOM 20954 OH2 TIP3 4882 -17.398 -27.000 -14.544 1.00 0.00 WAT +ATOM 20955 H1 TIP3 4882 -17.266 -27.947 -14.736 1.00 0.00 WAT +ATOM 20956 H2 TIP3 4882 -17.372 -27.017 -13.574 1.00 0.00 WAT +ATOM 20957 OH2 TIP3 4883 -14.140 -41.122 -15.246 1.00 0.00 WAT +ATOM 20958 H1 TIP3 4883 -14.767 -41.819 -14.965 1.00 0.00 WAT +ATOM 20959 H2 TIP3 4883 -13.548 -41.614 -15.834 1.00 0.00 WAT +ATOM 20960 OH2 TIP3 4884 -8.855 -43.314 -14.793 1.00 0.00 WAT +ATOM 20961 H1 TIP3 4884 -8.268 -42.889 -15.440 1.00 0.00 WAT +ATOM 20962 H2 TIP3 4884 -9.733 -43.060 -15.106 1.00 0.00 WAT +ATOM 20963 OH2 TIP3 4885 -6.898 -42.255 -16.974 1.00 0.00 WAT +ATOM 20964 H1 TIP3 4885 -6.349 -42.441 -17.741 1.00 0.00 WAT +ATOM 20965 H2 TIP3 4885 -6.736 -41.306 -16.826 1.00 0.00 WAT +ATOM 20966 OH2 TIP3 4886 -21.785 -42.838 -17.955 1.00 0.00 WAT +ATOM 20967 H1 TIP3 4886 -22.703 -43.074 -18.126 1.00 0.00 WAT +ATOM 20968 H2 TIP3 4886 -21.427 -43.642 -17.567 1.00 0.00 WAT +ATOM 20969 OH2 TIP3 4887 -23.220 -42.907 -21.697 1.00 0.00 WAT +ATOM 20970 H1 TIP3 4887 -22.736 -42.431 -22.398 1.00 0.00 WAT +ATOM 20971 H2 TIP3 4887 -23.552 -42.168 -21.155 1.00 0.00 WAT +ATOM 20972 OH2 TIP3 4888 -17.307 -42.277 -17.667 1.00 0.00 WAT +ATOM 20973 H1 TIP3 4888 -16.362 -42.343 -17.870 1.00 0.00 WAT +ATOM 20974 H2 TIP3 4888 -17.422 -42.926 -16.968 1.00 0.00 WAT +ATOM 20975 OH2 TIP3 4889 -11.720 -42.653 -16.296 1.00 0.00 WAT +ATOM 20976 H1 TIP3 4889 -11.415 -42.632 -17.211 1.00 0.00 WAT +ATOM 20977 H2 TIP3 4889 -11.878 -43.593 -16.134 1.00 0.00 WAT +ATOM 20978 OH2 TIP3 4890 -10.629 -42.723 -20.352 1.00 0.00 WAT +ATOM 20979 H1 TIP3 4890 -11.388 -42.132 -20.530 1.00 0.00 WAT +ATOM 20980 H2 TIP3 4890 -11.035 -43.599 -20.354 1.00 0.00 WAT +ATOM 20981 OH2 TIP3 4891 -22.729 -26.947 -20.677 1.00 0.00 WAT +ATOM 20982 H1 TIP3 4891 -23.412 -27.067 -21.352 1.00 0.00 WAT +ATOM 20983 H2 TIP3 4891 -22.789 -25.993 -20.530 1.00 0.00 WAT +ATOM 20984 OH2 TIP3 4892 -21.283 -41.253 -23.265 1.00 0.00 WAT +ATOM 20985 H1 TIP3 4892 -20.572 -41.617 -23.822 1.00 0.00 WAT +ATOM 20986 H2 TIP3 4892 -20.759 -40.738 -22.623 1.00 0.00 WAT +ATOM 20987 OH2 TIP3 4893 -16.049 -40.595 -20.970 1.00 0.00 WAT +ATOM 20988 H1 TIP3 4893 -15.975 -41.440 -20.481 1.00 0.00 WAT +ATOM 20989 H2 TIP3 4893 -15.871 -39.921 -20.287 1.00 0.00 WAT +ATOM 20990 OH2 TIP3 4894 -14.113 -25.116 -22.539 1.00 0.00 WAT +ATOM 20991 H1 TIP3 4894 -13.139 -25.088 -22.554 1.00 0.00 WAT +ATOM 20992 H2 TIP3 4894 -14.282 -25.804 -23.203 1.00 0.00 WAT +ATOM 20993 OH2 TIP3 4895 -7.409 -26.186 -19.882 1.00 0.00 WAT +ATOM 20994 H1 TIP3 4895 -7.658 -27.027 -20.316 1.00 0.00 WAT +ATOM 20995 H2 TIP3 4895 -7.542 -25.550 -20.602 1.00 0.00 WAT +ATOM 20996 OH2 TIP3 4896 -22.173 -41.792 -8.463 1.00 0.00 WAT +ATOM 20997 H1 TIP3 4896 -22.604 -42.595 -8.141 1.00 0.00 WAT +ATOM 20998 H2 TIP3 4896 -21.279 -42.142 -8.590 1.00 0.00 WAT +ATOM 20999 OH2 TIP3 4897 -19.236 -42.789 -5.821 1.00 0.00 WAT +ATOM 21000 H1 TIP3 4897 -18.362 -43.044 -6.192 1.00 0.00 WAT +ATOM 21001 H2 TIP3 4897 -19.466 -43.577 -5.317 1.00 0.00 WAT +ATOM 21002 OH2 TIP3 4898 -21.316 -25.993 -23.842 1.00 0.00 WAT +ATOM 21003 H1 TIP3 4898 -21.593 -25.753 -22.945 1.00 0.00 WAT +ATOM 21004 H2 TIP3 4898 -20.570 -26.591 -23.675 1.00 0.00 WAT +ATOM 21005 OH2 TIP3 4899 6.072 -33.462 -17.997 1.00 0.00 WAT +ATOM 21006 H1 TIP3 4899 6.017 -32.537 -17.708 1.00 0.00 WAT +ATOM 21007 H2 TIP3 4899 5.250 -33.584 -18.493 1.00 0.00 WAT +ATOM 21008 OH2 TIP3 4900 -2.530 -34.606 -12.698 1.00 0.00 WAT +ATOM 21009 H1 TIP3 4900 -2.595 -35.365 -12.086 1.00 0.00 WAT +ATOM 21010 H2 TIP3 4900 -1.859 -34.076 -12.243 1.00 0.00 WAT +ATOM 21011 OH2 TIP3 4901 8.653 -31.523 -16.031 1.00 0.00 WAT +ATOM 21012 H1 TIP3 4901 8.124 -32.236 -15.642 1.00 0.00 WAT +ATOM 21013 H2 TIP3 4901 8.854 -30.971 -15.262 1.00 0.00 WAT +ATOM 21014 OH2 TIP3 4902 -1.853 -29.999 -14.307 1.00 0.00 WAT +ATOM 21015 H1 TIP3 4902 -2.134 -30.932 -14.389 1.00 0.00 WAT +ATOM 21016 H2 TIP3 4902 -1.010 -30.108 -13.842 1.00 0.00 WAT +ATOM 21017 OH2 TIP3 4903 -4.915 -36.582 -18.809 1.00 0.00 WAT +ATOM 21018 H1 TIP3 4903 -5.353 -35.723 -18.707 1.00 0.00 WAT +ATOM 21019 H2 TIP3 4903 -5.635 -37.123 -19.157 1.00 0.00 WAT +ATOM 21020 OH2 TIP3 4904 -3.999 -34.105 -17.010 1.00 0.00 WAT +ATOM 21021 H1 TIP3 4904 -4.029 -34.893 -16.435 1.00 0.00 WAT +ATOM 21022 H2 TIP3 4904 -3.167 -34.266 -17.467 1.00 0.00 WAT +ATOM 21023 OH2 TIP3 4905 5.688 -26.144 -15.482 1.00 0.00 WAT +ATOM 21024 H1 TIP3 4905 6.294 -26.856 -15.761 1.00 0.00 WAT +ATOM 21025 H2 TIP3 4905 5.429 -26.438 -14.598 1.00 0.00 WAT +ATOM 21026 OH2 TIP3 4906 3.478 -31.853 -13.872 1.00 0.00 WAT +ATOM 21027 H1 TIP3 4906 3.894 -32.575 -14.381 1.00 0.00 WAT +ATOM 21028 H2 TIP3 4906 4.248 -31.639 -13.318 1.00 0.00 WAT +ATOM 21029 OH2 TIP3 4907 12.041 -40.223 -13.189 1.00 0.00 WAT +ATOM 21030 H1 TIP3 4907 12.321 -39.695 -12.423 1.00 0.00 WAT +ATOM 21031 H2 TIP3 4907 12.634 -39.862 -13.872 1.00 0.00 WAT +ATOM 21032 OH2 TIP3 4908 6.760 -37.573 -13.300 1.00 0.00 WAT +ATOM 21033 H1 TIP3 4908 6.912 -38.485 -13.591 1.00 0.00 WAT +ATOM 21034 H2 TIP3 4908 6.585 -37.081 -14.106 1.00 0.00 WAT +ATOM 21035 OH2 TIP3 4909 -0.314 -39.416 -16.169 1.00 0.00 WAT +ATOM 21036 H1 TIP3 4909 -0.131 -38.556 -16.592 1.00 0.00 WAT +ATOM 21037 H2 TIP3 4909 -0.649 -39.923 -16.933 1.00 0.00 WAT +ATOM 21038 OH2 TIP3 4910 7.505 -39.248 -17.868 1.00 0.00 WAT +ATOM 21039 H1 TIP3 4910 8.062 -39.481 -17.107 1.00 0.00 WAT +ATOM 21040 H2 TIP3 4910 7.984 -38.496 -18.235 1.00 0.00 WAT +ATOM 21041 OH2 TIP3 4911 -3.590 -36.604 -15.707 1.00 0.00 WAT +ATOM 21042 H1 TIP3 4911 -2.991 -37.070 -15.100 1.00 0.00 WAT +ATOM 21043 H2 TIP3 4911 -3.504 -37.141 -16.513 1.00 0.00 WAT +ATOM 21044 OH2 TIP3 4912 1.763 -35.183 -16.235 1.00 0.00 WAT +ATOM 21045 H1 TIP3 4912 2.577 -35.637 -15.937 1.00 0.00 WAT +ATOM 21046 H2 TIP3 4912 1.309 -35.916 -16.688 1.00 0.00 WAT +ATOM 21047 OH2 TIP3 4913 12.938 -38.496 -10.569 1.00 0.00 WAT +ATOM 21048 H1 TIP3 4913 12.197 -37.958 -10.898 1.00 0.00 WAT +ATOM 21049 H2 TIP3 4913 12.556 -38.878 -9.771 1.00 0.00 WAT +ATOM 21050 OH2 TIP3 4914 -1.509 -40.575 -12.026 1.00 0.00 WAT +ATOM 21051 H1 TIP3 4914 -1.827 -39.989 -12.732 1.00 0.00 WAT +ATOM 21052 H2 TIP3 4914 -2.165 -40.366 -11.328 1.00 0.00 WAT +ATOM 21053 OH2 TIP3 4915 6.060 -30.602 -18.708 1.00 0.00 WAT +ATOM 21054 H1 TIP3 4915 5.653 -30.932 -19.511 1.00 0.00 WAT +ATOM 21055 H2 TIP3 4915 5.543 -29.801 -18.505 1.00 0.00 WAT +ATOM 21056 OH2 TIP3 4916 1.399 -32.684 -11.901 1.00 0.00 WAT +ATOM 21057 H1 TIP3 4916 0.671 -32.073 -11.662 1.00 0.00 WAT +ATOM 21058 H2 TIP3 4916 2.057 -32.090 -12.298 1.00 0.00 WAT +ATOM 21059 OH2 TIP3 4917 9.530 -40.219 -15.776 1.00 0.00 WAT +ATOM 21060 H1 TIP3 4917 8.932 -40.546 -15.093 1.00 0.00 WAT +ATOM 21061 H2 TIP3 4917 9.970 -39.485 -15.311 1.00 0.00 WAT +ATOM 21062 OH2 TIP3 4918 -1.892 -38.548 -14.076 1.00 0.00 WAT +ATOM 21063 H1 TIP3 4918 -1.264 -37.954 -13.607 1.00 0.00 WAT +ATOM 21064 H2 TIP3 4918 -1.309 -38.889 -14.789 1.00 0.00 WAT +ATOM 21065 OH2 TIP3 4919 -0.680 -30.807 -11.246 1.00 0.00 WAT +ATOM 21066 H1 TIP3 4919 -0.642 -29.839 -11.390 1.00 0.00 WAT +ATOM 21067 H2 TIP3 4919 -1.463 -30.849 -10.663 1.00 0.00 WAT +ATOM 21068 OH2 TIP3 4920 -4.152 -31.089 -20.278 1.00 0.00 WAT +ATOM 21069 H1 TIP3 4920 -4.456 -30.696 -21.119 1.00 0.00 WAT +ATOM 21070 H2 TIP3 4920 -4.141 -30.312 -19.679 1.00 0.00 WAT +ATOM 21071 OH2 TIP3 4921 9.197 -29.691 -13.554 1.00 0.00 WAT +ATOM 21072 H1 TIP3 4921 8.231 -29.567 -13.482 1.00 0.00 WAT +ATOM 21073 H2 TIP3 4921 9.463 -28.819 -13.899 1.00 0.00 WAT +ATOM 21074 OH2 TIP3 4922 9.643 -41.141 -11.821 1.00 0.00 WAT +ATOM 21075 H1 TIP3 4922 8.837 -40.775 -12.222 1.00 0.00 WAT +ATOM 21076 H2 TIP3 4922 10.307 -40.937 -12.507 1.00 0.00 WAT +ATOM 21077 OH2 TIP3 4923 2.699 43.793 -14.845 1.00 0.00 WAT +ATOM 21078 H1 TIP3 4923 2.661 42.849 -14.658 1.00 0.00 WAT +ATOM 21079 H2 TIP3 4923 1.870 44.142 -14.460 1.00 0.00 WAT +ATOM 21080 OH2 TIP3 4924 7.493 -27.739 -16.998 1.00 0.00 WAT +ATOM 21081 H1 TIP3 4924 7.993 -28.539 -17.251 1.00 0.00 WAT +ATOM 21082 H2 TIP3 4924 8.182 -27.051 -17.068 1.00 0.00 WAT +ATOM 21083 OH2 TIP3 4925 9.017 -29.897 -18.344 1.00 0.00 WAT +ATOM 21084 H1 TIP3 4925 8.415 -30.317 -18.974 1.00 0.00 WAT +ATOM 21085 H2 TIP3 4925 8.955 -30.515 -17.588 1.00 0.00 WAT +ATOM 21086 OH2 TIP3 4926 10.551 -31.125 -9.949 1.00 0.00 WAT +ATOM 21087 H1 TIP3 4926 10.368 -31.732 -10.686 1.00 0.00 WAT +ATOM 21088 H2 TIP3 4926 10.621 -30.266 -10.409 1.00 0.00 WAT +ATOM 21089 OH2 TIP3 4927 4.601 -34.236 -20.269 1.00 0.00 WAT +ATOM 21090 H1 TIP3 4927 4.051 -33.569 -20.713 1.00 0.00 WAT +ATOM 21091 H2 TIP3 4927 5.396 -34.259 -20.827 1.00 0.00 WAT +ATOM 21092 OH2 TIP3 4928 5.032 -35.952 -23.176 1.00 0.00 WAT +ATOM 21093 H1 TIP3 4928 5.663 -35.680 -22.486 1.00 0.00 WAT +ATOM 21094 H2 TIP3 4928 5.602 -36.525 -23.713 1.00 0.00 WAT +ATOM 21095 OH2 TIP3 4929 12.223 -34.834 -11.916 1.00 0.00 WAT +ATOM 21096 H1 TIP3 4929 11.449 -34.241 -11.881 1.00 0.00 WAT +ATOM 21097 H2 TIP3 4929 12.693 -34.485 -12.700 1.00 0.00 WAT +ATOM 21098 OH2 TIP3 4930 8.402 -34.214 -19.142 1.00 0.00 WAT +ATOM 21099 H1 TIP3 4930 7.663 -33.940 -18.542 1.00 0.00 WAT +ATOM 21100 H2 TIP3 4930 8.938 -34.756 -18.538 1.00 0.00 WAT +ATOM 21101 OH2 TIP3 4931 8.246 -35.621 -10.196 1.00 0.00 WAT +ATOM 21102 H1 TIP3 4931 8.207 -34.762 -9.745 1.00 0.00 WAT +ATOM 21103 H2 TIP3 4931 7.444 -35.510 -10.756 1.00 0.00 WAT +ATOM 21104 OH2 TIP3 4932 -0.240 -33.263 -17.499 1.00 0.00 WAT +ATOM 21105 H1 TIP3 4932 -0.464 -33.925 -18.193 1.00 0.00 WAT +ATOM 21106 H2 TIP3 4932 0.387 -33.801 -16.971 1.00 0.00 WAT +ATOM 21107 OH2 TIP3 4933 1.326 -29.991 -14.608 1.00 0.00 WAT +ATOM 21108 H1 TIP3 4933 1.264 -30.541 -15.388 1.00 0.00 WAT +ATOM 21109 H2 TIP3 4933 2.077 -30.412 -14.149 1.00 0.00 WAT +ATOM 21110 OH2 TIP3 4934 0.413 -34.451 -13.882 1.00 0.00 WAT +ATOM 21111 H1 TIP3 4934 1.088 -34.552 -14.581 1.00 0.00 WAT +ATOM 21112 H2 TIP3 4934 0.868 -33.898 -13.217 1.00 0.00 WAT +ATOM 21113 OH2 TIP3 4935 6.388 -29.032 -13.235 1.00 0.00 WAT +ATOM 21114 H1 TIP3 4935 6.431 -28.373 -12.521 1.00 0.00 WAT +ATOM 21115 H2 TIP3 4935 6.207 -29.864 -12.756 1.00 0.00 WAT +ATOM 21116 OH2 TIP3 4936 1.324 -30.299 -8.990 1.00 0.00 WAT +ATOM 21117 H1 TIP3 4936 0.781 -29.662 -8.480 1.00 0.00 WAT +ATOM 21118 H2 TIP3 4936 0.679 -30.563 -9.666 1.00 0.00 WAT +ATOM 21119 OH2 TIP3 4937 7.205 -34.689 -21.603 1.00 0.00 WAT +ATOM 21120 H1 TIP3 4937 7.701 -34.446 -20.790 1.00 0.00 WAT +ATOM 21121 H2 TIP3 4937 7.712 -34.177 -22.279 1.00 0.00 WAT +ATOM 21122 OH2 TIP3 4938 -1.781 -33.848 -9.862 1.00 0.00 WAT +ATOM 21123 H1 TIP3 4938 -1.713 -33.258 -9.088 1.00 0.00 WAT +ATOM 21124 H2 TIP3 4938 -2.746 -33.967 -9.922 1.00 0.00 WAT +ATOM 21125 OH2 TIP3 4939 4.607 -28.079 -18.037 1.00 0.00 WAT +ATOM 21126 H1 TIP3 4939 5.143 -27.810 -17.278 1.00 0.00 WAT +ATOM 21127 H2 TIP3 4939 4.181 -27.248 -18.300 1.00 0.00 WAT +ATOM 21128 OH2 TIP3 4940 -0.720 -28.424 -8.186 1.00 0.00 WAT +ATOM 21129 H1 TIP3 4940 -0.798 -28.121 -9.103 1.00 0.00 WAT +ATOM 21130 H2 TIP3 4940 -1.544 -28.062 -7.802 1.00 0.00 WAT +ATOM 21131 OH2 TIP3 4941 10.443 -43.272 -22.349 1.00 0.00 WAT +ATOM 21132 H1 TIP3 4941 9.974 -43.201 -21.503 1.00 0.00 WAT +ATOM 21133 H2 TIP3 4941 11.177 -42.660 -22.190 1.00 0.00 WAT +ATOM 21134 OH2 TIP3 4942 -1.326 -34.565 -19.716 1.00 0.00 WAT +ATOM 21135 H1 TIP3 4942 -1.420 -33.939 -20.459 1.00 0.00 WAT +ATOM 21136 H2 TIP3 4942 -1.844 -35.323 -20.024 1.00 0.00 WAT +ATOM 21137 OH2 TIP3 4943 12.046 -28.814 -23.598 1.00 0.00 WAT +ATOM 21138 H1 TIP3 4943 12.211 -27.879 -23.367 1.00 0.00 WAT +ATOM 21139 H2 TIP3 4943 12.908 -29.223 -23.387 1.00 0.00 WAT +ATOM 21140 OH2 TIP3 4944 -5.047 -31.930 -11.098 1.00 0.00 WAT +ATOM 21141 H1 TIP3 4944 -5.591 -31.985 -11.905 1.00 0.00 WAT +ATOM 21142 H2 TIP3 4944 -4.989 -32.862 -10.820 1.00 0.00 WAT +ATOM 21143 OH2 TIP3 4945 -5.081 -29.003 -14.178 1.00 0.00 WAT +ATOM 21144 H1 TIP3 4945 -4.171 -29.275 -13.993 1.00 0.00 WAT +ATOM 21145 H2 TIP3 4945 -5.251 -28.423 -13.419 1.00 0.00 WAT +ATOM 21146 OH2 TIP3 4946 13.285 -28.412 -8.310 1.00 0.00 WAT +ATOM 21147 H1 TIP3 4946 13.170 -29.355 -8.523 1.00 0.00 WAT +ATOM 21148 H2 TIP3 4946 12.371 -28.171 -8.045 1.00 0.00 WAT +ATOM 21149 OH2 TIP3 4947 3.937 -29.196 -9.549 1.00 0.00 WAT +ATOM 21150 H1 TIP3 4947 4.020 -28.368 -9.031 1.00 0.00 WAT +ATOM 21151 H2 TIP3 4947 3.037 -29.491 -9.308 1.00 0.00 WAT +ATOM 21152 OH2 TIP3 4948 4.216 -25.389 -19.589 1.00 0.00 WAT +ATOM 21153 H1 TIP3 4948 4.255 -25.245 -20.551 1.00 0.00 WAT +ATOM 21154 H2 TIP3 4948 4.242 -24.485 -19.235 1.00 0.00 WAT +ATOM 21155 OH2 TIP3 4949 -1.992 -26.325 -17.973 1.00 0.00 WAT +ATOM 21156 H1 TIP3 4949 -1.777 -26.666 -17.078 1.00 0.00 WAT +ATOM 21157 H2 TIP3 4949 -2.890 -26.659 -18.090 1.00 0.00 WAT +ATOM 21158 OH2 TIP3 4950 7.509 -25.970 -22.395 1.00 0.00 WAT +ATOM 21159 H1 TIP3 4950 8.102 -26.615 -22.828 1.00 0.00 WAT +ATOM 21160 H2 TIP3 4950 7.468 -26.330 -21.485 1.00 0.00 WAT +ATOM 21161 OH2 TIP3 4951 6.905 -26.550 -19.605 1.00 0.00 WAT +ATOM 21162 H1 TIP3 4951 5.964 -26.393 -19.414 1.00 0.00 WAT +ATOM 21163 H2 TIP3 4951 7.104 -27.234 -18.940 1.00 0.00 WAT +ATOM 21164 OH2 TIP3 4952 10.091 -37.073 -7.949 1.00 0.00 WAT +ATOM 21165 H1 TIP3 4952 9.547 -36.658 -8.637 1.00 0.00 WAT +ATOM 21166 H2 TIP3 4952 10.133 -37.995 -8.257 1.00 0.00 WAT +ATOM 21167 OH2 TIP3 4953 -2.986 -30.298 -9.690 1.00 0.00 WAT +ATOM 21168 H1 TIP3 4953 -2.699 -30.753 -8.873 1.00 0.00 WAT +ATOM 21169 H2 TIP3 4953 -3.709 -30.854 -10.021 1.00 0.00 WAT +ATOM 21170 OH2 TIP3 4954 0.263 -42.190 -13.902 1.00 0.00 WAT +ATOM 21171 H1 TIP3 4954 -0.584 -42.427 -14.304 1.00 0.00 WAT +ATOM 21172 H2 TIP3 4954 0.034 -41.358 -13.460 1.00 0.00 WAT +ATOM 21173 OH2 TIP3 4955 4.820 -42.674 -10.327 1.00 0.00 WAT +ATOM 21174 H1 TIP3 4955 4.989 -43.062 -9.463 1.00 0.00 WAT +ATOM 21175 H2 TIP3 4955 3.860 -42.751 -10.395 1.00 0.00 WAT +ATOM 21176 OH2 TIP3 4956 7.808 -38.642 -9.862 1.00 0.00 WAT +ATOM 21177 H1 TIP3 4956 7.187 -38.727 -9.117 1.00 0.00 WAT +ATOM 21178 H2 TIP3 4956 7.718 -37.706 -10.116 1.00 0.00 WAT +ATOM 21179 OH2 TIP3 4957 8.771 -33.618 -23.620 1.00 0.00 WAT +ATOM 21180 H1 TIP3 4957 8.583 -33.802 -24.560 1.00 0.00 WAT +ATOM 21181 H2 TIP3 4957 9.712 -33.372 -23.662 1.00 0.00 WAT +ATOM 21182 OH2 TIP3 4958 4.411 -39.940 -23.154 1.00 0.00 WAT +ATOM 21183 H1 TIP3 4958 3.861 -40.021 -22.355 1.00 0.00 WAT +ATOM 21184 H2 TIP3 4958 3.925 -40.556 -23.747 1.00 0.00 WAT +ATOM 21185 OH2 TIP3 4959 0.042 -37.152 -12.640 1.00 0.00 WAT +ATOM 21186 H1 TIP3 4959 -0.474 -37.026 -11.825 1.00 0.00 WAT +ATOM 21187 H2 TIP3 4959 0.156 -36.235 -12.955 1.00 0.00 WAT +ATOM 21188 OH2 TIP3 4960 0.010 -37.053 -17.743 1.00 0.00 WAT +ATOM 21189 H1 TIP3 4960 -0.933 -37.230 -17.916 1.00 0.00 WAT +ATOM 21190 H2 TIP3 4960 0.404 -37.279 -18.610 1.00 0.00 WAT +ATOM 21191 OH2 TIP3 4961 5.686 -36.661 -18.755 1.00 0.00 WAT +ATOM 21192 H1 TIP3 4961 5.347 -35.759 -18.862 1.00 0.00 WAT +ATOM 21193 H2 TIP3 4961 6.395 -36.694 -19.409 1.00 0.00 WAT +ATOM 21194 OH2 TIP3 4962 4.818 -36.318 -7.595 1.00 0.00 WAT +ATOM 21195 H1 TIP3 4962 4.330 -37.077 -7.223 1.00 0.00 WAT +ATOM 21196 H2 TIP3 4962 5.705 -36.428 -7.201 1.00 0.00 WAT +ATOM 21197 OH2 TIP3 4963 -2.548 -36.978 -10.819 1.00 0.00 WAT +ATOM 21198 H1 TIP3 4963 -2.273 -36.656 -9.952 1.00 0.00 WAT +ATOM 21199 H2 TIP3 4963 -2.933 -37.846 -10.590 1.00 0.00 WAT +ATOM 21200 OH2 TIP3 4964 0.802 -39.368 -24.195 1.00 0.00 WAT +ATOM 21201 H1 TIP3 4964 0.471 -39.788 -23.381 1.00 0.00 WAT +ATOM 21202 H2 TIP3 4964 0.015 -39.310 -24.750 1.00 0.00 WAT +ATOM 21203 OH2 TIP3 4965 -5.714 -39.505 -17.181 1.00 0.00 WAT +ATOM 21204 H1 TIP3 4965 -5.174 -39.544 -16.365 1.00 0.00 WAT +ATOM 21205 H2 TIP3 4965 -5.176 -39.965 -17.835 1.00 0.00 WAT +ATOM 21206 OH2 TIP3 4966 -4.139 -39.110 -21.429 1.00 0.00 WAT +ATOM 21207 H1 TIP3 4966 -3.603 -38.607 -22.073 1.00 0.00 WAT +ATOM 21208 H2 TIP3 4966 -4.856 -38.471 -21.252 1.00 0.00 WAT +ATOM 21209 OH2 TIP3 4967 5.695 -35.566 -11.212 1.00 0.00 WAT +ATOM 21210 H1 TIP3 4967 5.823 -35.608 -12.182 1.00 0.00 WAT +ATOM 21211 H2 TIP3 4967 5.147 -36.341 -11.024 1.00 0.00 WAT +ATOM 21212 OH2 TIP3 4968 2.741 -39.650 -16.845 1.00 0.00 WAT +ATOM 21213 H1 TIP3 4968 1.833 -39.582 -16.512 1.00 0.00 WAT +ATOM 21214 H2 TIP3 4968 3.248 -39.528 -16.023 1.00 0.00 WAT +ATOM 21215 OH2 TIP3 4969 -2.598 -38.247 -18.073 1.00 0.00 WAT +ATOM 21216 H1 TIP3 4969 -3.441 -38.008 -18.496 1.00 0.00 WAT +ATOM 21217 H2 TIP3 4969 -2.353 -39.088 -18.505 1.00 0.00 WAT +ATOM 21218 OH2 TIP3 4970 1.011 -37.869 -20.317 1.00 0.00 WAT +ATOM 21219 H1 TIP3 4970 1.986 -37.862 -20.268 1.00 0.00 WAT +ATOM 21220 H2 TIP3 4970 0.819 -37.322 -21.094 1.00 0.00 WAT +ATOM 21221 OH2 TIP3 4971 7.163 -40.429 -13.736 1.00 0.00 WAT +ATOM 21222 H1 TIP3 4971 6.565 -40.364 -12.962 1.00 0.00 WAT +ATOM 21223 H2 TIP3 4971 6.516 -40.702 -14.413 1.00 0.00 WAT +ATOM 21224 OH2 TIP3 4972 -0.550 -36.655 -22.579 1.00 0.00 WAT +ATOM 21225 H1 TIP3 4972 -1.113 -36.973 -23.301 1.00 0.00 WAT +ATOM 21226 H2 TIP3 4972 0.276 -36.470 -23.062 1.00 0.00 WAT +ATOM 21227 OH2 TIP3 4973 10.123 -24.576 -7.055 1.00 0.00 WAT +ATOM 21228 H1 TIP3 4973 10.365 -24.126 -7.888 1.00 0.00 WAT +ATOM 21229 H2 TIP3 4973 10.807 -24.209 -6.468 1.00 0.00 WAT +ATOM 21230 OH2 TIP3 4974 -1.881 -31.960 -7.595 1.00 0.00 WAT +ATOM 21231 H1 TIP3 4974 -1.209 -31.862 -6.886 1.00 0.00 WAT +ATOM 21232 H2 TIP3 4974 -2.689 -32.010 -7.046 1.00 0.00 WAT +ATOM 21233 OH2 TIP3 4975 3.766 -37.304 -15.177 1.00 0.00 WAT +ATOM 21234 H1 TIP3 4975 4.685 -37.307 -15.464 1.00 0.00 WAT +ATOM 21235 H2 TIP3 4975 3.829 -37.567 -14.246 1.00 0.00 WAT +ATOM 21236 OH2 TIP3 4976 -1.045 -40.660 -18.654 1.00 0.00 WAT +ATOM 21237 H1 TIP3 4976 -1.493 -41.519 -18.547 1.00 0.00 WAT +ATOM 21238 H2 TIP3 4976 -0.198 -40.918 -19.046 1.00 0.00 WAT +ATOM 21239 OH2 TIP3 4977 2.752 -38.533 -12.577 1.00 0.00 WAT +ATOM 21240 H1 TIP3 4977 2.065 -37.855 -12.659 1.00 0.00 WAT +ATOM 21241 H2 TIP3 4977 3.291 -38.211 -11.828 1.00 0.00 WAT +ATOM 21242 OH2 TIP3 4978 2.927 -32.054 -20.791 1.00 0.00 WAT +ATOM 21243 H1 TIP3 4978 2.188 -32.612 -21.110 1.00 0.00 WAT +ATOM 21244 H2 TIP3 4978 2.777 -32.050 -19.815 1.00 0.00 WAT +ATOM 21245 OH2 TIP3 4979 9.921 -33.007 -12.213 1.00 0.00 WAT +ATOM 21246 H1 TIP3 4979 10.459 -32.459 -12.817 1.00 0.00 WAT +ATOM 21247 H2 TIP3 4979 9.066 -33.034 -12.670 1.00 0.00 WAT +ATOM 21248 OH2 TIP3 4980 7.101 -39.303 -23.122 1.00 0.00 WAT +ATOM 21249 H1 TIP3 4980 6.122 -39.390 -23.069 1.00 0.00 WAT +ATOM 21250 H2 TIP3 4980 7.295 -38.640 -22.427 1.00 0.00 WAT +ATOM 21251 OH2 TIP3 4981 4.516 -32.085 -9.459 1.00 0.00 WAT +ATOM 21252 H1 TIP3 4981 4.290 -32.398 -8.572 1.00 0.00 WAT +ATOM 21253 H2 TIP3 4981 4.272 -31.147 -9.424 1.00 0.00 WAT +ATOM 21254 OH2 TIP3 4982 7.722 -37.502 -20.987 1.00 0.00 WAT +ATOM 21255 H1 TIP3 4982 8.570 -37.632 -20.514 1.00 0.00 WAT +ATOM 21256 H2 TIP3 4982 7.801 -36.585 -21.305 1.00 0.00 WAT +ATOM 21257 OH2 TIP3 4983 -1.960 -32.746 -14.984 1.00 0.00 WAT +ATOM 21258 H1 TIP3 4983 -1.213 -32.930 -15.563 1.00 0.00 WAT +ATOM 21259 H2 TIP3 4983 -1.929 -33.520 -14.391 1.00 0.00 WAT +ATOM 21260 OH2 TIP3 4984 5.322 -30.730 -21.886 1.00 0.00 WAT +ATOM 21261 H1 TIP3 4984 5.096 -29.879 -21.461 1.00 0.00 WAT +ATOM 21262 H2 TIP3 4984 4.590 -31.291 -21.574 1.00 0.00 WAT +ATOM 21263 OH2 TIP3 4985 -4.645 -34.449 -9.684 1.00 0.00 WAT +ATOM 21264 H1 TIP3 4985 -4.502 -34.862 -8.809 1.00 0.00 WAT +ATOM 21265 H2 TIP3 4985 -5.285 -35.049 -10.099 1.00 0.00 WAT +ATOM 21266 OH2 TIP3 4986 2.306 -34.939 -7.688 1.00 0.00 WAT +ATOM 21267 H1 TIP3 4986 1.991 -35.164 -8.579 1.00 0.00 WAT +ATOM 21268 H2 TIP3 4986 3.245 -35.195 -7.761 1.00 0.00 WAT +ATOM 21269 OH2 TIP3 4987 6.890 -29.362 -9.944 1.00 0.00 WAT +ATOM 21270 H1 TIP3 4987 5.925 -29.407 -10.044 1.00 0.00 WAT +ATOM 21271 H2 TIP3 4987 6.987 -29.211 -8.990 1.00 0.00 WAT +ATOM 21272 OH2 TIP3 4988 12.387 -37.473 -21.196 1.00 0.00 WAT +ATOM 21273 H1 TIP3 4988 11.789 -37.642 -21.950 1.00 0.00 WAT +ATOM 21274 H2 TIP3 4988 12.492 -36.507 -21.301 1.00 0.00 WAT +ATOM 21275 OH2 TIP3 4989 12.817 -31.407 -8.386 1.00 0.00 WAT +ATOM 21276 H1 TIP3 4989 11.881 -31.201 -8.590 1.00 0.00 WAT +ATOM 21277 H2 TIP3 4989 13.158 -31.576 -9.286 1.00 0.00 WAT +ATOM 21278 OH2 TIP3 4990 10.525 -28.836 -21.120 1.00 0.00 WAT +ATOM 21279 H1 TIP3 4990 10.332 -29.583 -20.532 1.00 0.00 WAT +ATOM 21280 H2 TIP3 4990 11.123 -29.222 -21.774 1.00 0.00 WAT +ATOM 21281 OH2 TIP3 4991 0.028 -29.494 -17.892 1.00 0.00 WAT +ATOM 21282 H1 TIP3 4991 0.837 -28.958 -17.806 1.00 0.00 WAT +ATOM 21283 H2 TIP3 4991 -0.610 -28.774 -17.778 1.00 0.00 WAT +ATOM 21284 OH2 TIP3 4992 -3.585 -34.653 -23.071 1.00 0.00 WAT +ATOM 21285 H1 TIP3 4992 -3.004 -33.970 -22.706 1.00 0.00 WAT +ATOM 21286 H2 TIP3 4992 -4.459 -34.386 -22.722 1.00 0.00 WAT +ATOM 21287 OH2 TIP3 4993 2.271 -31.728 -18.169 1.00 0.00 WAT +ATOM 21288 H1 TIP3 4993 2.110 -30.827 -17.870 1.00 0.00 WAT +ATOM 21289 H2 TIP3 4993 1.776 -32.268 -17.542 1.00 0.00 WAT +ATOM 21290 OH2 TIP3 4994 2.457 -27.479 -11.721 1.00 0.00 WAT +ATOM 21291 H1 TIP3 4994 3.007 -26.711 -11.955 1.00 0.00 WAT +ATOM 21292 H2 TIP3 4994 3.055 -27.963 -11.128 1.00 0.00 WAT +ATOM 21293 OH2 TIP3 4995 0.887 -26.517 -18.476 1.00 0.00 WAT +ATOM 21294 H1 TIP3 4995 -0.058 -26.326 -18.375 1.00 0.00 WAT +ATOM 21295 H2 TIP3 4995 1.280 -25.663 -18.205 1.00 0.00 WAT +ATOM 21296 OH2 TIP3 4996 6.036 -31.609 -11.988 1.00 0.00 WAT +ATOM 21297 H1 TIP3 4996 5.595 -31.987 -11.207 1.00 0.00 WAT +ATOM 21298 H2 TIP3 4996 6.324 -32.416 -12.459 1.00 0.00 WAT +ATOM 21299 OH2 TIP3 4997 8.004 -30.418 -23.214 1.00 0.00 WAT +ATOM 21300 H1 TIP3 4997 8.452 -30.858 -22.467 1.00 0.00 WAT +ATOM 21301 H2 TIP3 4997 7.084 -30.565 -22.936 1.00 0.00 WAT +ATOM 21302 OH2 TIP3 4998 8.828 -27.146 -9.715 1.00 0.00 WAT +ATOM 21303 H1 TIP3 4998 8.059 -27.615 -10.100 1.00 0.00 WAT +ATOM 21304 H2 TIP3 4998 8.896 -26.353 -10.280 1.00 0.00 WAT +ATOM 21305 OH2 TIP3 4999 12.796 -26.126 -22.719 1.00 0.00 WAT +ATOM 21306 H1 TIP3 4999 13.501 -25.472 -22.870 1.00 0.00 WAT +ATOM 21307 H2 TIP3 4999 12.028 -25.527 -22.702 1.00 0.00 WAT +ATOM 21308 OH2 TIP3 5000 -3.340 -39.623 -10.083 1.00 0.00 WAT +ATOM 21309 H1 TIP3 5000 -4.254 -39.427 -10.384 1.00 0.00 WAT +ATOM 21310 H2 TIP3 5000 -3.502 -40.478 -9.630 1.00 0.00 WAT +ATOM 21311 OH2 TIP3 5001 8.994 -31.799 -20.848 1.00 0.00 WAT +ATOM 21312 H1 TIP3 5001 8.733 -32.525 -20.254 1.00 0.00 WAT +ATOM 21313 H2 TIP3 5001 9.960 -31.800 -20.735 1.00 0.00 WAT +ATOM 21314 OH2 TIP3 5002 -3.512 -28.044 -11.650 1.00 0.00 WAT +ATOM 21315 H1 TIP3 5002 -3.255 -28.936 -11.378 1.00 0.00 WAT +ATOM 21316 H2 TIP3 5002 -3.551 -27.617 -10.781 1.00 0.00 WAT +ATOM 21317 OH2 TIP3 5003 2.240 -29.367 -24.645 1.00 0.00 WAT +ATOM 21318 H1 TIP3 5003 2.572 -30.143 -25.131 1.00 0.00 WAT +ATOM 21319 H2 TIP3 5003 1.869 -29.783 -23.853 1.00 0.00 WAT +ATOM 21320 OH2 TIP3 5004 1.065 -29.891 -21.801 1.00 0.00 WAT +ATOM 21321 H1 TIP3 5004 1.726 -30.387 -21.294 1.00 0.00 WAT +ATOM 21322 H2 TIP3 5004 1.269 -28.962 -21.562 1.00 0.00 WAT +ATOM 21323 OH2 TIP3 5005 -1.901 -32.294 -21.292 1.00 0.00 WAT +ATOM 21324 H1 TIP3 5005 -2.805 -31.967 -21.113 1.00 0.00 WAT +ATOM 21325 H2 TIP3 5005 -1.549 -31.590 -21.867 1.00 0.00 WAT +ATOM 21326 OH2 TIP3 5006 5.551 -40.083 -11.412 1.00 0.00 WAT +ATOM 21327 H1 TIP3 5006 6.188 -39.781 -10.749 1.00 0.00 WAT +ATOM 21328 H2 TIP3 5006 5.226 -40.926 -11.052 1.00 0.00 WAT +ATOM 21329 OH2 TIP3 5007 6.440 -40.505 -20.145 1.00 0.00 WAT +ATOM 21330 H1 TIP3 5007 6.490 -39.876 -20.877 1.00 0.00 WAT +ATOM 21331 H2 TIP3 5007 6.765 -39.953 -19.400 1.00 0.00 WAT +ATOM 21332 OH2 TIP3 5008 4.006 -28.262 -21.303 1.00 0.00 WAT +ATOM 21333 H1 TIP3 5008 3.251 -27.694 -21.084 1.00 0.00 WAT +ATOM 21334 H2 TIP3 5008 4.445 -27.745 -21.991 1.00 0.00 WAT +ATOM 21335 OH2 TIP3 5009 3.704 -38.480 -19.263 1.00 0.00 WAT +ATOM 21336 H1 TIP3 5009 4.474 -37.892 -19.076 1.00 0.00 WAT +ATOM 21337 H2 TIP3 5009 3.411 -38.680 -18.354 1.00 0.00 WAT +ATOM 21338 OH2 TIP3 5010 3.991 -37.621 -10.117 1.00 0.00 WAT +ATOM 21339 H1 TIP3 5010 4.114 -37.069 -9.323 1.00 0.00 WAT +ATOM 21340 H2 TIP3 5010 4.591 -38.357 -9.945 1.00 0.00 WAT +ATOM 21341 OH2 TIP3 5011 4.368 -41.702 -18.252 1.00 0.00 WAT +ATOM 21342 H1 TIP3 5011 4.073 -40.939 -17.722 1.00 0.00 WAT +ATOM 21343 H2 TIP3 5011 4.993 -41.283 -18.871 1.00 0.00 WAT +ATOM 21344 OH2 TIP3 5012 1.226 -27.151 -21.292 1.00 0.00 WAT +ATOM 21345 H1 TIP3 5012 1.195 -26.329 -21.827 1.00 0.00 WAT +ATOM 21346 H2 TIP3 5012 1.122 -26.803 -20.385 1.00 0.00 WAT +ATOM 21347 OH2 TIP3 5013 -0.041 -40.516 -21.758 1.00 0.00 WAT +ATOM 21348 H1 TIP3 5013 -0.035 -39.695 -21.237 1.00 0.00 WAT +ATOM 21349 H2 TIP3 5013 0.858 -40.845 -21.546 1.00 0.00 WAT +ATOM 21350 OH2 TIP3 5014 10.400 -39.647 -9.322 1.00 0.00 WAT +ATOM 21351 H1 TIP3 5014 9.436 -39.507 -9.408 1.00 0.00 WAT +ATOM 21352 H2 TIP3 5014 10.597 -39.851 -10.247 1.00 0.00 WAT +ATOM 21353 OH2 TIP3 5015 8.852 -35.873 -15.472 1.00 0.00 WAT +ATOM 21354 H1 TIP3 5015 7.940 -35.663 -15.221 1.00 0.00 WAT +ATOM 21355 H2 TIP3 5015 9.169 -36.452 -14.753 1.00 0.00 WAT +ATOM 21356 OH2 TIP3 5016 -1.632 -29.657 -22.740 1.00 0.00 WAT +ATOM 21357 H1 TIP3 5016 -0.928 -29.110 -22.346 1.00 0.00 WAT +ATOM 21358 H2 TIP3 5016 -1.115 -30.081 -23.444 1.00 0.00 WAT +ATOM 21359 OH2 TIP3 5017 -3.472 -37.449 -23.643 1.00 0.00 WAT +ATOM 21360 H1 TIP3 5017 -3.362 -36.506 -23.413 1.00 0.00 WAT +ATOM 21361 H2 TIP3 5017 -4.342 -37.451 -24.064 1.00 0.00 WAT +ATOM 21362 OH2 TIP3 5018 9.842 -26.902 -13.861 1.00 0.00 WAT +ATOM 21363 H1 TIP3 5018 9.668 -26.063 -14.330 1.00 0.00 WAT +ATOM 21364 H2 TIP3 5018 10.760 -26.755 -13.584 1.00 0.00 WAT +ATOM 21365 OH2 TIP3 5019 -3.377 -42.433 -14.690 1.00 0.00 WAT +ATOM 21366 H1 TIP3 5019 -2.934 -42.427 -15.547 1.00 0.00 WAT +ATOM 21367 H2 TIP3 5019 -3.134 -43.324 -14.394 1.00 0.00 WAT +ATOM 21368 OH2 TIP3 5020 -3.550 -28.969 -18.629 1.00 0.00 WAT +ATOM 21369 H1 TIP3 5020 -4.283 -28.518 -18.174 1.00 0.00 WAT +ATOM 21370 H2 TIP3 5020 -3.301 -28.289 -19.284 1.00 0.00 WAT +ATOM 21371 OH2 TIP3 5021 0.677 -26.831 -5.628 1.00 0.00 WAT +ATOM 21372 H1 TIP3 5021 1.113 -27.681 -5.495 1.00 0.00 WAT +ATOM 21373 H2 TIP3 5021 0.021 -27.042 -6.307 1.00 0.00 WAT +ATOM 21374 OH2 TIP3 5022 4.489 -27.650 -24.156 1.00 0.00 WAT +ATOM 21375 H1 TIP3 5022 3.748 -28.287 -24.228 1.00 0.00 WAT +ATOM 21376 H2 TIP3 5022 5.216 -28.192 -24.504 1.00 0.00 WAT +ATOM 21377 OH2 TIP3 5023 6.896 -28.628 -7.037 1.00 0.00 WAT +ATOM 21378 H1 TIP3 5023 6.502 -29.450 -6.691 1.00 0.00 WAT +ATOM 21379 H2 TIP3 5023 7.593 -28.437 -6.388 1.00 0.00 WAT +ATOM 21380 OH2 TIP3 5024 9.106 -27.759 -24.037 1.00 0.00 WAT +ATOM 21381 H1 TIP3 5024 9.275 -28.547 -23.494 1.00 0.00 WAT +ATOM 21382 H2 TIP3 5024 9.914 -27.711 -24.577 1.00 0.00 WAT +ATOM 21383 OH2 TIP3 5025 -4.291 -32.385 -6.352 1.00 0.00 WAT +ATOM 21384 H1 TIP3 5025 -4.249 -33.277 -6.728 1.00 0.00 WAT +ATOM 21385 H2 TIP3 5025 -5.085 -32.041 -6.806 1.00 0.00 WAT +ATOM 21386 OH2 TIP3 5026 -0.104 -31.953 -24.262 1.00 0.00 WAT +ATOM 21387 H1 TIP3 5026 0.122 -32.554 -23.532 1.00 0.00 WAT +ATOM 21388 H2 TIP3 5026 0.743 -31.945 -24.750 1.00 0.00 WAT +ATOM 21389 OH2 TIP3 5027 2.338 -32.159 -6.956 1.00 0.00 WAT +ATOM 21390 H1 TIP3 5027 2.047 -31.820 -7.819 1.00 0.00 WAT +ATOM 21391 H2 TIP3 5027 2.408 -33.122 -7.114 1.00 0.00 WAT +ATOM 21392 OH2 TIP3 5028 5.100 -30.612 -24.686 1.00 0.00 WAT +ATOM 21393 H1 TIP3 5028 5.124 -30.646 -23.711 1.00 0.00 WAT +ATOM 21394 H2 TIP3 5028 5.095 -31.572 -24.887 1.00 0.00 WAT +ATOM 21395 OH2 TIP3 5029 7.709 -32.515 -9.456 1.00 0.00 WAT +ATOM 21396 H1 TIP3 5029 8.469 -32.023 -9.795 1.00 0.00 WAT +ATOM 21397 H2 TIP3 5029 6.985 -31.902 -9.655 1.00 0.00 WAT +ATOM 21398 OH2 TIP3 5030 -3.448 -35.255 -7.151 1.00 0.00 WAT +ATOM 21399 H1 TIP3 5030 -2.689 -35.861 -7.110 1.00 0.00 WAT +ATOM 21400 H2 TIP3 5030 -3.489 -34.961 -6.227 1.00 0.00 WAT +ATOM 21401 OH2 TIP3 5031 0.969 -33.842 -21.972 1.00 0.00 WAT +ATOM 21402 H1 TIP3 5031 0.476 -34.426 -21.383 1.00 0.00 WAT +ATOM 21403 H2 TIP3 5031 1.327 -34.492 -22.615 1.00 0.00 WAT +ATOM 21404 OH2 TIP3 5032 0.197 -36.103 -9.746 1.00 0.00 WAT +ATOM 21405 H1 TIP3 5032 -0.316 -35.309 -9.506 1.00 0.00 WAT +ATOM 21406 H2 TIP3 5032 0.897 -35.720 -10.308 1.00 0.00 WAT +ATOM 21407 OH2 TIP3 5033 1.959 -35.807 -23.681 1.00 0.00 WAT +ATOM 21408 H1 TIP3 5033 1.921 -35.769 -24.654 1.00 0.00 WAT +ATOM 21409 H2 TIP3 5033 2.921 -35.893 -23.532 1.00 0.00 WAT +ATOM 21410 OH2 TIP3 5034 5.521 -33.376 -6.135 1.00 0.00 WAT +ATOM 21411 H1 TIP3 5034 6.408 -33.571 -6.471 1.00 0.00 WAT +ATOM 21412 H2 TIP3 5034 5.271 -34.223 -5.741 1.00 0.00 WAT +ATOM 21413 OH2 TIP3 5035 11.468 -33.316 -24.381 1.00 0.00 WAT +ATOM 21414 H1 TIP3 5035 11.351 -33.728 -25.249 1.00 0.00 WAT +ATOM 21415 H2 TIP3 5035 11.359 -32.367 -24.610 1.00 0.00 WAT +ATOM 21416 OH2 TIP3 5036 0.799 -38.792 -8.594 1.00 0.00 WAT +ATOM 21417 H1 TIP3 5036 0.908 -39.425 -9.321 1.00 0.00 WAT +ATOM 21418 H2 TIP3 5036 0.609 -37.968 -9.077 1.00 0.00 WAT +ATOM 21419 OH2 TIP3 5037 1.185 -40.399 -11.182 1.00 0.00 WAT +ATOM 21420 H1 TIP3 5037 1.726 -39.814 -11.760 1.00 0.00 WAT +ATOM 21421 H2 TIP3 5037 0.280 -40.246 -11.520 1.00 0.00 WAT +ATOM 21422 OH2 TIP3 5038 2.641 -34.911 -10.751 1.00 0.00 WAT +ATOM 21423 H1 TIP3 5038 3.558 -34.949 -11.072 1.00 0.00 WAT +ATOM 21424 H2 TIP3 5038 2.384 -34.010 -11.028 1.00 0.00 WAT +ATOM 21425 OH2 TIP3 5039 7.257 -36.932 -5.951 1.00 0.00 WAT +ATOM 21426 H1 TIP3 5039 7.456 -37.856 -5.728 1.00 0.00 WAT +ATOM 21427 H2 TIP3 5039 8.144 -36.541 -5.986 1.00 0.00 WAT +ATOM 21428 OH2 TIP3 5040 8.256 -34.162 -7.396 1.00 0.00 WAT +ATOM 21429 H1 TIP3 5040 7.890 -33.547 -8.071 1.00 0.00 WAT +ATOM 21430 H2 TIP3 5040 9.122 -34.340 -7.811 1.00 0.00 WAT +ATOM 21431 OH2 TIP3 5041 -0.975 -36.957 -6.745 1.00 0.00 WAT +ATOM 21432 H1 TIP3 5041 -1.493 -37.777 -6.744 1.00 0.00 WAT +ATOM 21433 H2 TIP3 5041 -0.160 -37.241 -7.188 1.00 0.00 WAT +ATOM 21434 OH2 TIP3 5042 1.654 -42.790 -9.972 1.00 0.00 WAT +ATOM 21435 H1 TIP3 5042 1.808 -41.884 -10.312 1.00 0.00 WAT +ATOM 21436 H2 TIP3 5042 0.709 -42.854 -10.158 1.00 0.00 WAT +ATOM 21437 OH2 TIP3 5043 3.166 -38.483 -6.960 1.00 0.00 WAT +ATOM 21438 H1 TIP3 5043 2.822 -38.711 -6.080 1.00 0.00 WAT +ATOM 21439 H2 TIP3 5043 2.360 -38.643 -7.493 1.00 0.00 WAT +ATOM 21440 OH2 TIP3 5044 5.722 -39.474 -8.030 1.00 0.00 WAT +ATOM 21441 H1 TIP3 5044 4.842 -39.298 -7.647 1.00 0.00 WAT +ATOM 21442 H2 TIP3 5044 6.103 -40.086 -7.378 1.00 0.00 WAT +ATOM 21443 OH2 TIP3 5045 7.487 -41.369 -6.296 1.00 0.00 WAT +ATOM 21444 H1 TIP3 5045 7.297 -42.229 -5.905 1.00 0.00 WAT +ATOM 21445 H2 TIP3 5045 7.306 -40.755 -5.565 1.00 0.00 WAT +ATOM 21446 OH2 TIP3 5046 -2.158 -39.630 -6.864 1.00 0.00 WAT +ATOM 21447 H1 TIP3 5046 -2.455 -40.210 -7.586 1.00 0.00 WAT +ATOM 21448 H2 TIP3 5046 -2.660 -39.969 -6.109 1.00 0.00 WAT +ATOM 21449 OH2 TIP3 5047 2.760 -41.473 -5.832 1.00 0.00 WAT +ATOM 21450 H1 TIP3 5047 2.539 -42.270 -6.346 1.00 0.00 WAT +ATOM 21451 H2 TIP3 5047 1.934 -40.959 -5.855 1.00 0.00 WAT +ATOM 21452 OH2 TIP3 5048 1.725 -24.634 -22.633 1.00 0.00 WAT +ATOM 21453 H1 TIP3 5048 2.665 -24.482 -22.458 1.00 0.00 WAT +ATOM 21454 H2 TIP3 5048 1.610 -24.116 -23.440 1.00 0.00 WAT +ATOM 21455 OH2 TIP3 5049 -4.371 -30.251 -23.012 1.00 0.00 WAT +ATOM 21456 H1 TIP3 5049 -3.422 -30.003 -22.950 1.00 0.00 WAT +ATOM 21457 H2 TIP3 5049 -4.354 -30.974 -23.671 1.00 0.00 WAT +ATOM 21458 OH2 TIP3 5050 -5.916 -24.629 -17.819 1.00 0.00 WAT +ATOM 21459 H1 TIP3 5050 -6.330 -25.085 -18.570 1.00 0.00 WAT +ATOM 21460 H2 TIP3 5050 -5.601 -25.368 -17.278 1.00 0.00 WAT +ATOM 21461 OH2 TIP3 5051 -4.907 -27.030 -16.405 1.00 0.00 WAT +ATOM 21462 H1 TIP3 5051 -5.262 -27.849 -16.018 1.00 0.00 WAT +ATOM 21463 H2 TIP3 5051 -4.582 -26.620 -15.584 1.00 0.00 WAT +ATOM 21464 OH2 TIP3 5052 12.563 -25.746 -13.352 1.00 0.00 WAT +ATOM 21465 H1 TIP3 5052 12.677 -25.715 -12.389 1.00 0.00 WAT +ATOM 21466 H2 TIP3 5052 13.424 -25.424 -13.652 1.00 0.00 WAT +ATOM 21467 OH2 TIP3 5053 12.451 -26.276 -10.482 1.00 0.00 WAT +ATOM 21468 H1 TIP3 5053 11.931 -27.030 -10.812 1.00 0.00 WAT +ATOM 21469 H2 TIP3 5053 13.005 -26.715 -9.820 1.00 0.00 WAT +ATOM 21470 OH2 TIP3 5054 10.473 -30.841 -6.147 1.00 0.00 WAT +ATOM 21471 H1 TIP3 5054 9.577 -30.763 -5.778 1.00 0.00 WAT +ATOM 21472 H2 TIP3 5054 10.898 -30.016 -5.861 1.00 0.00 WAT +ATOM 21473 OH2 TIP3 5055 11.859 -31.946 -20.445 1.00 0.00 WAT +ATOM 21474 H1 TIP3 5055 12.765 -31.633 -20.263 1.00 0.00 WAT +ATOM 21475 H2 TIP3 5055 11.749 -32.580 -19.712 1.00 0.00 WAT +ATOM 21476 OH2 TIP3 5056 12.311 -34.002 -18.476 1.00 0.00 WAT +ATOM 21477 H1 TIP3 5056 11.636 -34.563 -18.038 1.00 0.00 WAT +ATOM 21478 H2 TIP3 5056 12.978 -33.871 -17.775 1.00 0.00 WAT +ATOM 21479 OH2 TIP3 5057 12.021 -31.514 -13.424 1.00 0.00 WAT +ATOM 21480 H1 TIP3 5057 12.624 -31.992 -14.013 1.00 0.00 WAT +ATOM 21481 H2 TIP3 5057 12.119 -30.599 -13.737 1.00 0.00 WAT +ATOM 21482 OH2 TIP3 5058 10.743 -28.592 -11.231 1.00 0.00 WAT +ATOM 21483 H1 TIP3 5058 10.021 -28.175 -10.726 1.00 0.00 WAT +ATOM 21484 H2 TIP3 5058 10.272 -28.934 -12.015 1.00 0.00 WAT +ATOM 21485 OH2 TIP3 5059 12.595 -34.536 -21.898 1.00 0.00 WAT +ATOM 21486 H1 TIP3 5059 12.064 -34.239 -22.660 1.00 0.00 WAT +ATOM 21487 H2 TIP3 5059 12.432 -33.816 -21.268 1.00 0.00 WAT +ATOM 21488 OH2 TIP3 5060 10.832 -36.984 -23.632 1.00 0.00 WAT +ATOM 21489 H1 TIP3 5060 11.109 -36.381 -24.335 1.00 0.00 WAT +ATOM 21490 H2 TIP3 5060 10.588 -37.788 -24.123 1.00 0.00 WAT +ATOM 21491 OH2 TIP3 5061 10.369 -35.896 -17.646 1.00 0.00 WAT +ATOM 21492 H1 TIP3 5061 10.177 -36.830 -17.818 1.00 0.00 WAT +ATOM 21493 H2 TIP3 5061 9.906 -35.778 -16.781 1.00 0.00 WAT +ATOM 21494 OH2 TIP3 5062 -4.909 -33.648 -13.948 1.00 0.00 WAT +ATOM 21495 H1 TIP3 5062 -4.605 -33.583 -14.865 1.00 0.00 WAT +ATOM 21496 H2 TIP3 5062 -4.068 -33.854 -13.491 1.00 0.00 WAT +ATOM 21497 OH2 TIP3 5063 10.862 -33.941 -8.523 1.00 0.00 WAT +ATOM 21498 H1 TIP3 5063 11.608 -34.538 -8.331 1.00 0.00 WAT +ATOM 21499 H2 TIP3 5063 11.299 -33.098 -8.705 1.00 0.00 WAT +ATOM 21500 OH2 TIP3 5064 12.414 -35.833 -7.282 1.00 0.00 WAT +ATOM 21501 H1 TIP3 5064 11.613 -36.348 -7.521 1.00 0.00 WAT +ATOM 21502 H2 TIP3 5064 13.099 -36.526 -7.304 1.00 0.00 WAT +ATOM 21503 OH2 TIP3 5065 10.266 -39.698 -24.470 1.00 0.00 WAT +ATOM 21504 H1 TIP3 5065 10.847 -40.117 -23.811 1.00 0.00 WAT +ATOM 21505 H2 TIP3 5065 9.433 -40.175 -24.358 1.00 0.00 WAT +ATOM 21506 OH2 TIP3 5066 10.048 -38.259 -19.476 1.00 0.00 WAT +ATOM 21507 H1 TIP3 5066 10.211 -39.227 -19.399 1.00 0.00 WAT +ATOM 21508 H2 TIP3 5066 10.891 -37.963 -19.854 1.00 0.00 WAT +ATOM 21509 OH2 TIP3 5067 10.320 -37.832 -14.061 1.00 0.00 WAT +ATOM 21510 H1 TIP3 5067 11.280 -37.656 -14.082 1.00 0.00 WAT +ATOM 21511 H2 TIP3 5067 10.148 -37.741 -13.109 1.00 0.00 WAT +ATOM 21512 OH2 TIP3 5068 10.499 -37.071 -11.222 1.00 0.00 WAT +ATOM 21513 H1 TIP3 5068 9.658 -36.663 -10.931 1.00 0.00 WAT +ATOM 21514 H2 TIP3 5068 11.028 -36.278 -11.426 1.00 0.00 WAT +ATOM 21515 OH2 TIP3 5069 -5.066 -38.364 -7.433 1.00 0.00 WAT +ATOM 21516 H1 TIP3 5069 -4.137 -38.572 -7.595 1.00 0.00 WAT +ATOM 21517 H2 TIP3 5069 -5.484 -39.238 -7.441 1.00 0.00 WAT +ATOM 21518 OH2 TIP3 5070 12.686 -42.755 -5.427 1.00 0.00 WAT +ATOM 21519 H1 TIP3 5070 13.091 -43.588 -5.686 1.00 0.00 WAT +ATOM 21520 H2 TIP3 5070 12.659 -42.186 -6.230 1.00 0.00 WAT +ATOM 21521 OH2 TIP3 5071 10.420 -40.992 -19.397 1.00 0.00 WAT +ATOM 21522 H1 TIP3 5071 10.582 -41.453 -18.564 1.00 0.00 WAT +ATOM 21523 H2 TIP3 5071 9.749 -41.570 -19.806 1.00 0.00 WAT +ATOM 21524 OH2 TIP3 5072 -4.295 -39.895 -14.773 1.00 0.00 WAT +ATOM 21525 H1 TIP3 5072 -3.996 -40.822 -14.640 1.00 0.00 WAT +ATOM 21526 H2 TIP3 5072 -3.560 -39.397 -14.369 1.00 0.00 WAT +ATOM 21527 OH2 TIP3 5073 -5.696 -37.290 -13.730 1.00 0.00 WAT +ATOM 21528 H1 TIP3 5073 -5.082 -37.302 -14.479 1.00 0.00 WAT +ATOM 21529 H2 TIP3 5073 -5.347 -36.559 -13.203 1.00 0.00 WAT +ATOM 21530 OH2 TIP3 5074 12.431 -41.125 -7.587 1.00 0.00 WAT +ATOM 21531 H1 TIP3 5074 11.586 -40.641 -7.507 1.00 0.00 WAT +ATOM 21532 H2 TIP3 5074 12.334 -41.461 -8.495 1.00 0.00 WAT +ATOM 21533 OH2 TIP3 5075 12.500 -40.592 -22.786 1.00 0.00 WAT +ATOM 21534 H1 TIP3 5075 12.710 -41.444 -23.219 1.00 0.00 WAT +ATOM 21535 H2 TIP3 5075 13.358 -40.145 -22.740 1.00 0.00 WAT +ATOM 21536 OH2 TIP3 5076 -5.157 -41.036 -19.661 1.00 0.00 WAT +ATOM 21537 H1 TIP3 5076 -6.107 -40.938 -19.848 1.00 0.00 WAT +ATOM 21538 H2 TIP3 5076 -4.757 -40.344 -20.228 1.00 0.00 WAT +ATOM 21539 OH2 TIP3 5077 9.424 -25.646 -17.563 1.00 0.00 WAT +ATOM 21540 H1 TIP3 5077 9.936 -25.934 -18.336 1.00 0.00 WAT +ATOM 21541 H2 TIP3 5077 10.114 -25.308 -16.977 1.00 0.00 WAT +ATOM 21542 OH2 TIP3 5078 -5.413 -41.273 -11.118 1.00 0.00 WAT +ATOM 21543 H1 TIP3 5078 -5.338 -42.215 -10.866 1.00 0.00 WAT +ATOM 21544 H2 TIP3 5078 -5.590 -41.345 -12.065 1.00 0.00 WAT +ATOM 21545 OH2 TIP3 5079 -0.300 -28.024 -11.174 1.00 0.00 WAT +ATOM 21546 H1 TIP3 5079 -0.651 -27.154 -11.434 1.00 0.00 WAT +ATOM 21547 H2 TIP3 5079 0.656 -27.864 -11.299 1.00 0.00 WAT +ATOM 21548 OH2 TIP3 5080 4.207 -26.706 -8.145 1.00 0.00 WAT +ATOM 21549 H1 TIP3 5080 4.321 -26.821 -7.191 1.00 0.00 WAT +ATOM 21550 H2 TIP3 5080 5.026 -26.224 -8.385 1.00 0.00 WAT +ATOM 21551 OH2 TIP3 5081 6.488 -25.236 -8.814 1.00 0.00 WAT +ATOM 21552 H1 TIP3 5081 7.200 -25.848 -9.054 1.00 0.00 WAT +ATOM 21553 H2 TIP3 5081 6.790 -24.904 -7.950 1.00 0.00 WAT +ATOM 21554 OH2 TIP3 5082 11.062 -42.775 -9.680 1.00 0.00 WAT +ATOM 21555 H1 TIP3 5082 10.567 -42.134 -10.221 1.00 0.00 WAT +ATOM 21556 H2 TIP3 5082 11.270 -43.436 -10.360 1.00 0.00 WAT +ATOM 21557 OH2 TIP3 5083 -3.051 -24.913 -10.918 1.00 0.00 WAT +ATOM 21558 H1 TIP3 5083 -3.733 -24.282 -11.193 1.00 0.00 WAT +ATOM 21559 H2 TIP3 5083 -3.239 -24.971 -9.967 1.00 0.00 WAT +ATOM 21560 OH2 TIP3 5084 -0.508 -25.279 -12.282 1.00 0.00 WAT +ATOM 21561 H1 TIP3 5084 -1.345 -25.057 -11.825 1.00 0.00 WAT +ATOM 21562 H2 TIP3 5084 -0.427 -24.544 -12.918 1.00 0.00 WAT +ATOM 21563 OH2 TIP3 5085 4.297 -25.256 -12.705 1.00 0.00 WAT +ATOM 21564 H1 TIP3 5085 3.928 -24.769 -13.461 1.00 0.00 WAT +ATOM 21565 H2 TIP3 5085 4.388 -24.539 -12.044 1.00 0.00 WAT +ATOM 21566 OH2 TIP3 5086 6.647 -26.512 -11.781 1.00 0.00 WAT +ATOM 21567 H1 TIP3 5086 5.793 -26.159 -12.093 1.00 0.00 WAT +ATOM 21568 H2 TIP3 5086 7.195 -25.715 -11.769 1.00 0.00 WAT +ATOM 21569 OH2 TIP3 5087 9.181 -24.831 -11.554 1.00 0.00 WAT +ATOM 21570 H1 TIP3 5087 9.156 -23.869 -11.726 1.00 0.00 WAT +ATOM 21571 H2 TIP3 5087 9.460 -25.163 -12.421 1.00 0.00 WAT +ATOM 21572 OH2 TIP3 5088 -3.404 -26.277 -13.890 1.00 0.00 WAT +ATOM 21573 H1 TIP3 5088 -3.429 -26.691 -12.997 1.00 0.00 WAT +ATOM 21574 H2 TIP3 5088 -2.559 -26.633 -14.213 1.00 0.00 WAT +ATOM 21575 OH2 TIP3 5089 -1.280 -27.553 -15.553 1.00 0.00 WAT +ATOM 21576 H1 TIP3 5089 -1.483 -28.410 -15.117 1.00 0.00 WAT +ATOM 21577 H2 TIP3 5089 -0.431 -27.311 -15.126 1.00 0.00 WAT +ATOM 21578 OH2 TIP3 5090 1.384 -27.046 -14.533 1.00 0.00 WAT +ATOM 21579 H1 TIP3 5090 1.618 -27.976 -14.696 1.00 0.00 WAT +ATOM 21580 H2 TIP3 5090 1.484 -27.006 -13.567 1.00 0.00 WAT +ATOM 21581 OH2 TIP3 5091 4.767 -41.145 -15.206 1.00 0.00 WAT +ATOM 21582 H1 TIP3 5091 4.095 -41.816 -14.986 1.00 0.00 WAT +ATOM 21583 H2 TIP3 5091 5.322 -41.613 -15.849 1.00 0.00 WAT +ATOM 21584 OH2 TIP3 5092 9.966 -43.402 -14.876 1.00 0.00 WAT +ATOM 21585 H1 TIP3 5092 10.588 -42.879 -15.411 1.00 0.00 WAT +ATOM 21586 H2 TIP3 5092 9.122 -42.978 -15.075 1.00 0.00 WAT +ATOM 21587 OH2 TIP3 5093 12.017 -42.279 -16.951 1.00 0.00 WAT +ATOM 21588 H1 TIP3 5093 12.474 -42.418 -17.786 1.00 0.00 WAT +ATOM 21589 H2 TIP3 5093 12.113 -41.317 -16.821 1.00 0.00 WAT +ATOM 21590 OH2 TIP3 5094 -2.921 -42.852 -17.983 1.00 0.00 WAT +ATOM 21591 H1 TIP3 5094 -3.852 -43.055 -18.121 1.00 0.00 WAT +ATOM 21592 H2 TIP3 5094 -2.596 -43.644 -17.544 1.00 0.00 WAT +ATOM 21593 OH2 TIP3 5095 -4.336 -42.909 -21.687 1.00 0.00 WAT +ATOM 21594 H1 TIP3 5095 -3.883 -42.424 -22.402 1.00 0.00 WAT +ATOM 21595 H2 TIP3 5095 -4.710 -42.178 -21.165 1.00 0.00 WAT +ATOM 21596 OH2 TIP3 5096 1.621 -42.567 -17.855 1.00 0.00 WAT +ATOM 21597 H1 TIP3 5096 2.537 -42.241 -17.831 1.00 0.00 WAT +ATOM 21598 H2 TIP3 5096 1.480 -42.822 -16.936 1.00 0.00 WAT +ATOM 21599 OH2 TIP3 5097 7.052 -42.664 -16.331 1.00 0.00 WAT +ATOM 21600 H1 TIP3 5097 7.450 -42.608 -17.208 1.00 0.00 WAT +ATOM 21601 H2 TIP3 5097 7.036 -43.607 -16.130 1.00 0.00 WAT +ATOM 21602 OH2 TIP3 5098 8.246 -42.729 -20.341 1.00 0.00 WAT +ATOM 21603 H1 TIP3 5098 7.514 -42.092 -20.476 1.00 0.00 WAT +ATOM 21604 H2 TIP3 5098 7.799 -43.582 -20.405 1.00 0.00 WAT +ATOM 21605 OH2 TIP3 5099 -3.940 -26.957 -20.647 1.00 0.00 WAT +ATOM 21606 H1 TIP3 5099 -4.605 -27.064 -21.344 1.00 0.00 WAT +ATOM 21607 H2 TIP3 5099 -3.875 -25.991 -20.627 1.00 0.00 WAT +ATOM 21608 OH2 TIP3 5100 -2.425 -41.252 -23.257 1.00 0.00 WAT +ATOM 21609 H1 TIP3 5100 -1.721 -41.616 -23.823 1.00 0.00 WAT +ATOM 21610 H2 TIP3 5100 -1.894 -40.742 -22.618 1.00 0.00 WAT +ATOM 21611 OH2 TIP3 5101 2.711 -40.590 -20.909 1.00 0.00 WAT +ATOM 21612 H1 TIP3 5101 3.019 -41.407 -20.478 1.00 0.00 WAT +ATOM 21613 H2 TIP3 5101 3.003 -39.898 -20.281 1.00 0.00 WAT +ATOM 21614 OH2 TIP3 5102 4.760 -25.135 -22.515 1.00 0.00 WAT +ATOM 21615 H1 TIP3 5102 5.735 -25.119 -22.556 1.00 0.00 WAT +ATOM 21616 H2 TIP3 5102 4.569 -25.791 -23.206 1.00 0.00 WAT +ATOM 21617 OH2 TIP3 5103 11.279 -26.108 -19.958 1.00 0.00 WAT +ATOM 21618 H1 TIP3 5103 11.037 -26.951 -20.391 1.00 0.00 WAT +ATOM 21619 H2 TIP3 5103 11.225 -25.489 -20.704 1.00 0.00 WAT +ATOM 21620 OH2 TIP3 5104 -3.307 -41.781 -8.455 1.00 0.00 WAT +ATOM 21621 H1 TIP3 5104 -3.753 -42.587 -8.159 1.00 0.00 WAT +ATOM 21622 H2 TIP3 5104 -2.418 -42.141 -8.584 1.00 0.00 WAT +ATOM 21623 OH2 TIP3 5105 -0.379 -42.781 -5.821 1.00 0.00 WAT +ATOM 21624 H1 TIP3 5105 0.494 -43.042 -6.191 1.00 0.00 WAT +ATOM 21625 H2 TIP3 5105 -0.627 -43.576 -5.337 1.00 0.00 WAT +ATOM 21626 OH2 TIP3 5106 -2.503 -26.061 -23.825 1.00 0.00 WAT +ATOM 21627 H1 TIP3 5106 -2.669 -25.727 -22.932 1.00 0.00 WAT +ATOM 21628 H2 TIP3 5106 -1.673 -26.556 -23.713 1.00 0.00 WAT +ATOM 21629 OH2 TIP3 5107 10.735 -27.362 -7.518 1.00 0.00 WAT +ATOM 21630 H1 TIP3 5107 10.021 -27.523 -8.164 1.00 0.00 WAT +ATOM 21631 H2 TIP3 5107 10.615 -26.406 -7.361 1.00 0.00 WAT +ATOM 21632 OH2 TIP3 5108 24.974 -33.676 -17.436 1.00 0.00 WAT +ATOM 21633 H1 TIP3 5108 24.964 -32.719 -17.275 1.00 0.00 WAT +ATOM 21634 H2 TIP3 5108 24.180 -33.784 -17.978 1.00 0.00 WAT +ATOM 21635 OH2 TIP3 5109 23.842 -34.237 -14.363 1.00 0.00 WAT +ATOM 21636 H1 TIP3 5109 23.804 -34.759 -13.545 1.00 0.00 WAT +ATOM 21637 H2 TIP3 5109 23.520 -34.871 -15.019 1.00 0.00 WAT +ATOM 21638 OH2 TIP3 5110 16.323 -34.651 -12.692 1.00 0.00 WAT +ATOM 21639 H1 TIP3 5110 16.281 -35.385 -12.052 1.00 0.00 WAT +ATOM 21640 H2 TIP3 5110 16.990 -34.084 -12.279 1.00 0.00 WAT +ATOM 21641 OH2 TIP3 5111 27.526 -31.435 -15.981 1.00 0.00 WAT +ATOM 21642 H1 TIP3 5111 27.148 -32.112 -15.404 1.00 0.00 WAT +ATOM 21643 H2 TIP3 5111 27.811 -30.774 -15.332 1.00 0.00 WAT +ATOM 21644 OH2 TIP3 5112 16.956 -29.987 -14.191 1.00 0.00 WAT +ATOM 21645 H1 TIP3 5112 16.713 -30.908 -14.424 1.00 0.00 WAT +ATOM 21646 H2 TIP3 5112 17.882 -30.118 -13.941 1.00 0.00 WAT +ATOM 21647 OH2 TIP3 5113 13.954 -36.614 -18.806 1.00 0.00 WAT +ATOM 21648 H1 TIP3 5113 13.560 -35.736 -18.671 1.00 0.00 WAT +ATOM 21649 H2 TIP3 5113 13.198 -37.103 -19.152 1.00 0.00 WAT +ATOM 21650 OH2 TIP3 5114 14.758 -34.132 -16.938 1.00 0.00 WAT +ATOM 21651 H1 TIP3 5114 14.893 -34.960 -16.437 1.00 0.00 WAT +ATOM 21652 H2 TIP3 5114 15.601 -34.044 -17.399 1.00 0.00 WAT +ATOM 21653 OH2 TIP3 5115 24.509 -26.156 -15.483 1.00 0.00 WAT +ATOM 21654 H1 TIP3 5115 25.129 -26.850 -15.770 1.00 0.00 WAT +ATOM 21655 H2 TIP3 5115 24.275 -26.445 -14.591 1.00 0.00 WAT +ATOM 21656 OH2 TIP3 5116 22.308 -31.718 -13.792 1.00 0.00 WAT +ATOM 21657 H1 TIP3 5116 22.649 -32.436 -14.351 1.00 0.00 WAT +ATOM 21658 H2 TIP3 5116 23.110 -31.554 -13.256 1.00 0.00 WAT +ATOM 21659 OH2 TIP3 5117 30.866 -40.180 -13.245 1.00 0.00 WAT +ATOM 21660 H1 TIP3 5117 31.159 -39.780 -12.410 1.00 0.00 WAT +ATOM 21661 H2 TIP3 5117 31.530 -39.814 -13.854 1.00 0.00 WAT +ATOM 21662 OH2 TIP3 5118 25.606 -37.403 -13.257 1.00 0.00 WAT +ATOM 21663 H1 TIP3 5118 25.777 -38.359 -13.246 1.00 0.00 WAT +ATOM 21664 H2 TIP3 5118 25.497 -37.237 -14.207 1.00 0.00 WAT +ATOM 21665 OH2 TIP3 5119 18.566 -39.416 -16.171 1.00 0.00 WAT +ATOM 21666 H1 TIP3 5119 18.716 -38.557 -16.611 1.00 0.00 WAT +ATOM 21667 H2 TIP3 5119 18.217 -39.933 -16.921 1.00 0.00 WAT +ATOM 21668 OH2 TIP3 5120 26.455 -39.259 -17.865 1.00 0.00 WAT +ATOM 21669 H1 TIP3 5120 27.057 -39.631 -17.192 1.00 0.00 WAT +ATOM 21670 H2 TIP3 5120 27.066 -38.741 -18.409 1.00 0.00 WAT +ATOM 21671 OH2 TIP3 5121 15.276 -36.610 -15.698 1.00 0.00 WAT +ATOM 21672 H1 TIP3 5121 15.856 -37.105 -15.100 1.00 0.00 WAT +ATOM 21673 H2 TIP3 5121 15.342 -37.130 -16.517 1.00 0.00 WAT +ATOM 21674 OH2 TIP3 5122 20.663 -35.249 -16.251 1.00 0.00 WAT +ATOM 21675 H1 TIP3 5122 21.348 -35.804 -15.831 1.00 0.00 WAT +ATOM 21676 H2 TIP3 5122 20.135 -35.920 -16.722 1.00 0.00 WAT +ATOM 21677 OH2 TIP3 5123 31.798 -38.472 -10.578 1.00 0.00 WAT +ATOM 21678 H1 TIP3 5123 31.028 -37.965 -10.885 1.00 0.00 WAT +ATOM 21679 H2 TIP3 5123 31.450 -38.881 -9.777 1.00 0.00 WAT +ATOM 21680 OH2 TIP3 5124 17.365 -40.562 -12.011 1.00 0.00 WAT +ATOM 21681 H1 TIP3 5124 17.031 -39.998 -12.730 1.00 0.00 WAT +ATOM 21682 H2 TIP3 5124 16.693 -40.370 -11.325 1.00 0.00 WAT +ATOM 21683 OH2 TIP3 5125 24.906 -30.802 -18.653 1.00 0.00 WAT +ATOM 21684 H1 TIP3 5125 24.525 -31.034 -19.504 1.00 0.00 WAT +ATOM 21685 H2 TIP3 5125 24.441 -29.972 -18.437 1.00 0.00 WAT +ATOM 21686 OH2 TIP3 5126 20.300 -32.700 -11.917 1.00 0.00 WAT +ATOM 21687 H1 TIP3 5126 19.569 -32.103 -11.648 1.00 0.00 WAT +ATOM 21688 H2 TIP3 5126 20.926 -32.079 -12.332 1.00 0.00 WAT +ATOM 21689 OH2 TIP3 5127 28.404 -40.184 -15.807 1.00 0.00 WAT +ATOM 21690 H1 TIP3 5127 27.829 -40.586 -15.140 1.00 0.00 WAT +ATOM 21691 H2 TIP3 5127 28.852 -39.500 -15.276 1.00 0.00 WAT +ATOM 21692 OH2 TIP3 5128 16.979 -38.567 -14.067 1.00 0.00 WAT +ATOM 21693 H1 TIP3 5128 17.595 -37.945 -13.626 1.00 0.00 WAT +ATOM 21694 H2 TIP3 5128 17.551 -38.896 -14.795 1.00 0.00 WAT +ATOM 21695 OH2 TIP3 5129 18.288 -30.832 -11.193 1.00 0.00 WAT +ATOM 21696 H1 TIP3 5129 18.270 -29.901 -11.481 1.00 0.00 WAT +ATOM 21697 H2 TIP3 5129 17.424 -30.879 -10.737 1.00 0.00 WAT +ATOM 21698 OH2 TIP3 5130 14.628 -31.118 -20.303 1.00 0.00 WAT +ATOM 21699 H1 TIP3 5130 14.408 -30.609 -21.102 1.00 0.00 WAT +ATOM 21700 H2 TIP3 5130 14.786 -30.420 -19.631 1.00 0.00 WAT +ATOM 21701 OH2 TIP3 5131 28.176 -29.364 -13.726 1.00 0.00 WAT +ATOM 21702 H1 TIP3 5131 27.221 -29.185 -13.633 1.00 0.00 WAT +ATOM 21703 H2 TIP3 5131 28.545 -28.500 -13.971 1.00 0.00 WAT +ATOM 21704 OH2 TIP3 5132 28.490 -41.109 -11.808 1.00 0.00 WAT +ATOM 21705 H1 TIP3 5132 27.680 -40.769 -12.222 1.00 0.00 WAT +ATOM 21706 H2 TIP3 5132 29.148 -40.952 -12.510 1.00 0.00 WAT +ATOM 21707 OH2 TIP3 5133 21.586 43.809 -14.799 1.00 0.00 WAT +ATOM 21708 H1 TIP3 5133 21.545 42.855 -14.669 1.00 0.00 WAT +ATOM 21709 H2 TIP3 5133 20.722 44.127 -14.468 1.00 0.00 WAT +ATOM 21710 OH2 TIP3 5134 26.371 -27.732 -16.979 1.00 0.00 WAT +ATOM 21711 H1 TIP3 5134 26.873 -28.519 -17.257 1.00 0.00 WAT +ATOM 21712 H2 TIP3 5134 27.045 -27.031 -17.054 1.00 0.00 WAT +ATOM 21713 OH2 TIP3 5135 27.867 -29.920 -18.391 1.00 0.00 WAT +ATOM 21714 H1 TIP3 5135 27.227 -30.346 -18.978 1.00 0.00 WAT +ATOM 21715 H2 TIP3 5135 27.809 -30.491 -17.601 1.00 0.00 WAT +ATOM 21716 OH2 TIP3 5136 29.355 -31.129 -9.806 1.00 0.00 WAT +ATOM 21717 H1 TIP3 5136 29.253 -31.702 -10.585 1.00 0.00 WAT +ATOM 21718 H2 TIP3 5136 29.413 -30.241 -10.235 1.00 0.00 WAT +ATOM 21719 OH2 TIP3 5137 23.606 -34.173 -20.155 1.00 0.00 WAT +ATOM 21720 H1 TIP3 5137 22.943 -33.541 -20.498 1.00 0.00 WAT +ATOM 21721 H2 TIP3 5137 24.319 -34.084 -20.806 1.00 0.00 WAT +ATOM 21722 OH2 TIP3 5138 23.907 -35.964 -23.103 1.00 0.00 WAT +ATOM 21723 H1 TIP3 5138 24.591 -35.647 -22.485 1.00 0.00 WAT +ATOM 21724 H2 TIP3 5138 24.437 -36.525 -23.687 1.00 0.00 WAT +ATOM 21725 OH2 TIP3 5139 31.112 -34.892 -11.927 1.00 0.00 WAT +ATOM 21726 H1 TIP3 5139 30.389 -34.239 -11.833 1.00 0.00 WAT +ATOM 21727 H2 TIP3 5139 31.592 -34.522 -12.696 1.00 0.00 WAT +ATOM 21728 OH2 TIP3 5140 27.127 -34.163 -19.079 1.00 0.00 WAT +ATOM 21729 H1 TIP3 5140 26.438 -33.922 -18.417 1.00 0.00 WAT +ATOM 21730 H2 TIP3 5140 27.730 -34.693 -18.530 1.00 0.00 WAT +ATOM 21731 OH2 TIP3 5141 26.965 -35.624 -10.247 1.00 0.00 WAT +ATOM 21732 H1 TIP3 5141 27.034 -34.816 -9.710 1.00 0.00 WAT +ATOM 21733 H2 TIP3 5141 26.321 -35.305 -10.904 1.00 0.00 WAT +ATOM 21734 OH2 TIP3 5142 18.722 -33.374 -17.304 1.00 0.00 WAT +ATOM 21735 H1 TIP3 5142 18.412 -33.807 -18.122 1.00 0.00 WAT +ATOM 21736 H2 TIP3 5142 19.377 -34.013 -16.970 1.00 0.00 WAT +ATOM 21737 OH2 TIP3 5143 20.087 -29.966 -14.568 1.00 0.00 WAT +ATOM 21738 H1 TIP3 5143 19.983 -30.372 -15.438 1.00 0.00 WAT +ATOM 21739 H2 TIP3 5143 20.880 -30.424 -14.228 1.00 0.00 WAT +ATOM 21740 OH2 TIP3 5144 19.342 -34.590 -13.809 1.00 0.00 WAT +ATOM 21741 H1 TIP3 5144 19.905 -34.505 -14.600 1.00 0.00 WAT +ATOM 21742 H2 TIP3 5144 19.691 -33.892 -13.222 1.00 0.00 WAT +ATOM 21743 OH2 TIP3 5145 25.306 -29.035 -13.240 1.00 0.00 WAT +ATOM 21744 H1 TIP3 5145 25.255 -28.362 -12.537 1.00 0.00 WAT +ATOM 21745 H2 TIP3 5145 25.077 -29.858 -12.774 1.00 0.00 WAT +ATOM 21746 OH2 TIP3 5146 20.142 -30.263 -8.968 1.00 0.00 WAT +ATOM 21747 H1 TIP3 5146 19.646 -29.579 -8.481 1.00 0.00 WAT +ATOM 21748 H2 TIP3 5146 19.501 -30.501 -9.663 1.00 0.00 WAT +ATOM 21749 OH2 TIP3 5147 26.108 -34.739 -21.617 1.00 0.00 WAT +ATOM 21750 H1 TIP3 5147 26.550 -34.424 -20.799 1.00 0.00 WAT +ATOM 21751 H2 TIP3 5147 26.588 -34.205 -22.298 1.00 0.00 WAT +ATOM 21752 OH2 TIP3 5148 17.084 -33.867 -9.853 1.00 0.00 WAT +ATOM 21753 H1 TIP3 5148 17.140 -33.268 -9.085 1.00 0.00 WAT +ATOM 21754 H2 TIP3 5148 16.120 -33.978 -9.934 1.00 0.00 WAT +ATOM 21755 OH2 TIP3 5149 23.542 -28.102 -18.059 1.00 0.00 WAT +ATOM 21756 H1 TIP3 5149 23.999 -27.806 -17.262 1.00 0.00 WAT +ATOM 21757 H2 TIP3 5149 23.039 -27.315 -18.319 1.00 0.00 WAT +ATOM 21758 OH2 TIP3 5150 18.263 -28.097 -8.167 1.00 0.00 WAT +ATOM 21759 H1 TIP3 5150 18.134 -28.024 -9.128 1.00 0.00 WAT +ATOM 21760 H2 TIP3 5150 17.374 -28.331 -7.840 1.00 0.00 WAT +ATOM 21761 OH2 TIP3 5151 29.915 -43.378 -21.626 1.00 0.00 WAT +ATOM 21762 H1 TIP3 5151 28.971 -43.244 -21.427 1.00 0.00 WAT +ATOM 21763 H2 TIP3 5151 30.133 -42.546 -22.075 1.00 0.00 WAT +ATOM 21764 OH2 TIP3 5152 17.654 -34.640 -19.772 1.00 0.00 WAT +ATOM 21765 H1 TIP3 5152 17.438 -33.867 -20.323 1.00 0.00 WAT +ATOM 21766 H2 TIP3 5152 16.968 -35.268 -20.034 1.00 0.00 WAT +ATOM 21767 OH2 TIP3 5153 30.910 -28.809 -23.621 1.00 0.00 WAT +ATOM 21768 H1 TIP3 5153 31.073 -27.879 -23.368 1.00 0.00 WAT +ATOM 21769 H2 TIP3 5153 31.765 -29.226 -23.398 1.00 0.00 WAT +ATOM 21770 OH2 TIP3 5154 13.732 -31.960 -11.040 1.00 0.00 WAT +ATOM 21771 H1 TIP3 5154 13.254 -31.946 -11.893 1.00 0.00 WAT +ATOM 21772 H2 TIP3 5154 13.829 -32.917 -10.878 1.00 0.00 WAT +ATOM 21773 OH2 TIP3 5155 13.766 -29.025 -14.132 1.00 0.00 WAT +ATOM 21774 H1 TIP3 5155 14.685 -29.318 -14.050 1.00 0.00 WAT +ATOM 21775 H2 TIP3 5155 13.690 -28.429 -13.373 1.00 0.00 WAT +ATOM 21776 OH2 TIP3 5156 32.166 -28.457 -8.264 1.00 0.00 WAT +ATOM 21777 H1 TIP3 5156 32.013 -29.387 -8.502 1.00 0.00 WAT +ATOM 21778 H2 TIP3 5156 31.250 -28.175 -8.046 1.00 0.00 WAT +ATOM 21779 OH2 TIP3 5157 22.791 -29.197 -9.543 1.00 0.00 WAT +ATOM 21780 H1 TIP3 5157 22.881 -28.374 -9.018 1.00 0.00 WAT +ATOM 21781 H2 TIP3 5157 21.889 -29.485 -9.301 1.00 0.00 WAT +ATOM 21782 OH2 TIP3 5158 23.093 -25.384 -19.577 1.00 0.00 WAT +ATOM 21783 H1 TIP3 5158 23.084 -25.252 -20.540 1.00 0.00 WAT +ATOM 21784 H2 TIP3 5158 23.104 -24.475 -19.234 1.00 0.00 WAT +ATOM 21785 OH2 TIP3 5159 16.886 -26.249 -17.947 1.00 0.00 WAT +ATOM 21786 H1 TIP3 5159 17.044 -26.690 -17.086 1.00 0.00 WAT +ATOM 21787 H2 TIP3 5159 16.043 -26.642 -18.208 1.00 0.00 WAT +ATOM 21788 OH2 TIP3 5160 26.366 -25.972 -22.410 1.00 0.00 WAT +ATOM 21789 H1 TIP3 5160 26.945 -26.638 -22.827 1.00 0.00 WAT +ATOM 21790 H2 TIP3 5160 26.310 -26.313 -21.492 1.00 0.00 WAT +ATOM 21791 OH2 TIP3 5161 25.769 -26.537 -19.607 1.00 0.00 WAT +ATOM 21792 H1 TIP3 5161 24.821 -26.384 -19.439 1.00 0.00 WAT +ATOM 21793 H2 TIP3 5161 25.949 -27.214 -18.931 1.00 0.00 WAT +ATOM 21794 OH2 TIP3 5162 28.952 -37.086 -7.938 1.00 0.00 WAT +ATOM 21795 H1 TIP3 5162 28.421 -36.677 -8.636 1.00 0.00 WAT +ATOM 21796 H2 TIP3 5162 29.005 -38.011 -8.240 1.00 0.00 WAT +ATOM 21797 OH2 TIP3 5163 15.899 -30.413 -9.806 1.00 0.00 WAT +ATOM 21798 H1 TIP3 5163 16.163 -30.873 -8.984 1.00 0.00 WAT +ATOM 21799 H2 TIP3 5163 15.156 -30.953 -10.133 1.00 0.00 WAT +ATOM 21800 OH2 TIP3 5164 19.093 -42.194 -13.895 1.00 0.00 WAT +ATOM 21801 H1 TIP3 5164 18.243 -42.357 -14.324 1.00 0.00 WAT +ATOM 21802 H2 TIP3 5164 18.903 -41.358 -13.444 1.00 0.00 WAT +ATOM 21803 OH2 TIP3 5165 23.655 -42.627 -10.313 1.00 0.00 WAT +ATOM 21804 H1 TIP3 5165 23.854 -43.089 -9.493 1.00 0.00 WAT +ATOM 21805 H2 TIP3 5165 22.703 -42.773 -10.392 1.00 0.00 WAT +ATOM 21806 OH2 TIP3 5166 26.638 -38.630 -9.887 1.00 0.00 WAT +ATOM 21807 H1 TIP3 5166 26.053 -38.748 -9.117 1.00 0.00 WAT +ATOM 21808 H2 TIP3 5166 26.578 -37.675 -10.064 1.00 0.00 WAT +ATOM 21809 OH2 TIP3 5167 27.627 -33.649 -23.628 1.00 0.00 WAT +ATOM 21810 H1 TIP3 5167 27.438 -33.797 -24.573 1.00 0.00 WAT +ATOM 21811 H2 TIP3 5167 28.555 -33.360 -23.666 1.00 0.00 WAT +ATOM 21812 OH2 TIP3 5168 23.304 -39.955 -23.165 1.00 0.00 WAT +ATOM 21813 H1 TIP3 5168 22.753 -40.040 -22.360 1.00 0.00 WAT +ATOM 21814 H2 TIP3 5168 22.785 -40.540 -23.760 1.00 0.00 WAT +ATOM 21815 OH2 TIP3 5169 18.952 -37.159 -12.616 1.00 0.00 WAT +ATOM 21816 H1 TIP3 5169 18.353 -37.032 -11.860 1.00 0.00 WAT +ATOM 21817 H2 TIP3 5169 19.030 -36.247 -12.973 1.00 0.00 WAT +ATOM 21818 OH2 TIP3 5170 18.893 -37.092 -17.727 1.00 0.00 WAT +ATOM 21819 H1 TIP3 5170 17.934 -37.170 -17.884 1.00 0.00 WAT +ATOM 21820 H2 TIP3 5170 19.235 -37.264 -18.626 1.00 0.00 WAT +ATOM 21821 OH2 TIP3 5171 24.511 -36.525 -18.975 1.00 0.00 WAT +ATOM 21822 H1 TIP3 5171 24.096 -35.685 -19.276 1.00 0.00 WAT +ATOM 21823 H2 TIP3 5171 25.171 -36.658 -19.672 1.00 0.00 WAT +ATOM 21824 OH2 TIP3 5172 23.706 -36.333 -7.649 1.00 0.00 WAT +ATOM 21825 H1 TIP3 5172 23.181 -37.056 -7.252 1.00 0.00 WAT +ATOM 21826 H2 TIP3 5172 24.566 -36.436 -7.199 1.00 0.00 WAT +ATOM 21827 OH2 TIP3 5173 25.364 -37.116 -16.184 1.00 0.00 WAT +ATOM 21828 H1 TIP3 5173 25.067 -36.514 -16.895 1.00 0.00 WAT +ATOM 21829 H2 TIP3 5173 25.521 -37.924 -16.708 1.00 0.00 WAT +ATOM 21830 OH2 TIP3 5174 16.343 -36.984 -10.811 1.00 0.00 WAT +ATOM 21831 H1 TIP3 5174 16.554 -36.665 -9.926 1.00 0.00 WAT +ATOM 21832 H2 TIP3 5174 15.922 -37.843 -10.608 1.00 0.00 WAT +ATOM 21833 OH2 TIP3 5175 19.682 -39.445 -24.221 1.00 0.00 WAT +ATOM 21834 H1 TIP3 5175 19.330 -39.778 -23.375 1.00 0.00 WAT +ATOM 21835 H2 TIP3 5175 18.879 -39.266 -24.728 1.00 0.00 WAT +ATOM 21836 OH2 TIP3 5176 13.131 -39.543 -17.171 1.00 0.00 WAT +ATOM 21837 H1 TIP3 5176 13.681 -39.551 -16.362 1.00 0.00 WAT +ATOM 21838 H2 TIP3 5176 13.696 -39.954 -17.833 1.00 0.00 WAT +ATOM 21839 OH2 TIP3 5177 14.707 -39.113 -21.445 1.00 0.00 WAT +ATOM 21840 H1 TIP3 5177 15.253 -38.593 -22.068 1.00 0.00 WAT +ATOM 21841 H2 TIP3 5177 14.001 -38.467 -21.246 1.00 0.00 WAT +ATOM 21842 OH2 TIP3 5178 24.442 -35.436 -11.741 1.00 0.00 WAT +ATOM 21843 H1 TIP3 5178 24.892 -36.167 -12.220 1.00 0.00 WAT +ATOM 21844 H2 TIP3 5178 24.129 -35.885 -10.944 1.00 0.00 WAT +ATOM 21845 OH2 TIP3 5179 21.665 -39.455 -16.755 1.00 0.00 WAT +ATOM 21846 H1 TIP3 5179 20.722 -39.569 -16.545 1.00 0.00 WAT +ATOM 21847 H2 TIP3 5179 22.081 -39.699 -15.913 1.00 0.00 WAT +ATOM 21848 OH2 TIP3 5180 16.237 -38.265 -18.042 1.00 0.00 WAT +ATOM 21849 H1 TIP3 5180 15.420 -37.973 -18.488 1.00 0.00 WAT +ATOM 21850 H2 TIP3 5180 16.486 -39.078 -18.522 1.00 0.00 WAT +ATOM 21851 OH2 TIP3 5181 19.865 -37.928 -20.355 1.00 0.00 WAT +ATOM 21852 H1 TIP3 5181 20.830 -37.816 -20.320 1.00 0.00 WAT +ATOM 21853 H2 TIP3 5181 19.590 -37.331 -21.073 1.00 0.00 WAT +ATOM 21854 OH2 TIP3 5182 26.009 -40.329 -13.731 1.00 0.00 WAT +ATOM 21855 H1 TIP3 5182 25.412 -40.344 -12.952 1.00 0.00 WAT +ATOM 21856 H2 TIP3 5182 25.385 -40.639 -14.411 1.00 0.00 WAT +ATOM 21857 OH2 TIP3 5183 18.336 -36.736 -22.587 1.00 0.00 WAT +ATOM 21858 H1 TIP3 5183 17.738 -36.946 -23.320 1.00 0.00 WAT +ATOM 21859 H2 TIP3 5183 19.141 -36.485 -23.074 1.00 0.00 WAT +ATOM 21860 OH2 TIP3 5184 29.061 -24.573 -7.041 1.00 0.00 WAT +ATOM 21861 H1 TIP3 5184 29.255 -24.137 -7.892 1.00 0.00 WAT +ATOM 21862 H2 TIP3 5184 29.771 -24.235 -6.475 1.00 0.00 WAT +ATOM 21863 OH2 TIP3 5185 16.965 -31.963 -7.615 1.00 0.00 WAT +ATOM 21864 H1 TIP3 5185 17.641 -31.863 -6.912 1.00 0.00 WAT +ATOM 21865 H2 TIP3 5185 16.160 -31.949 -7.062 1.00 0.00 WAT +ATOM 21866 OH2 TIP3 5186 22.676 -36.947 -14.893 1.00 0.00 WAT +ATOM 21867 H1 TIP3 5186 23.408 -37.389 -15.347 1.00 0.00 WAT +ATOM 21868 H2 TIP3 5186 22.507 -37.549 -14.143 1.00 0.00 WAT +ATOM 21869 OH2 TIP3 5187 17.806 -40.667 -18.680 1.00 0.00 WAT +ATOM 21870 H1 TIP3 5187 17.356 -41.519 -18.543 1.00 0.00 WAT +ATOM 21871 H2 TIP3 5187 18.669 -40.942 -19.022 1.00 0.00 WAT +ATOM 21872 OH2 TIP3 5188 21.649 -38.483 -12.630 1.00 0.00 WAT +ATOM 21873 H1 TIP3 5188 20.887 -37.879 -12.635 1.00 0.00 WAT +ATOM 21874 H2 TIP3 5188 22.137 -38.208 -11.825 1.00 0.00 WAT +ATOM 21875 OH2 TIP3 5189 21.802 -32.110 -20.745 1.00 0.00 WAT +ATOM 21876 H1 TIP3 5189 21.030 -32.601 -21.098 1.00 0.00 WAT +ATOM 21877 H2 TIP3 5189 21.587 -32.039 -19.786 1.00 0.00 WAT +ATOM 21878 OH2 TIP3 5190 29.018 -32.978 -12.014 1.00 0.00 WAT +ATOM 21879 H1 TIP3 5190 29.519 -32.408 -12.641 1.00 0.00 WAT +ATOM 21880 H2 TIP3 5190 28.158 -33.056 -12.471 1.00 0.00 WAT +ATOM 21881 OH2 TIP3 5191 25.967 -39.308 -23.139 1.00 0.00 WAT +ATOM 21882 H1 TIP3 5191 24.984 -39.386 -23.110 1.00 0.00 WAT +ATOM 21883 H2 TIP3 5191 26.147 -38.625 -22.461 1.00 0.00 WAT +ATOM 21884 OH2 TIP3 5192 23.405 -32.098 -9.426 1.00 0.00 WAT +ATOM 21885 H1 TIP3 5192 23.131 -32.388 -8.545 1.00 0.00 WAT +ATOM 21886 H2 TIP3 5192 23.141 -31.164 -9.428 1.00 0.00 WAT +ATOM 21887 OH2 TIP3 5193 26.618 -37.494 -21.004 1.00 0.00 WAT +ATOM 21888 H1 TIP3 5193 27.481 -37.604 -20.565 1.00 0.00 WAT +ATOM 21889 H2 TIP3 5193 26.676 -36.581 -21.348 1.00 0.00 WAT +ATOM 21890 OH2 TIP3 5194 16.938 -32.703 -14.919 1.00 0.00 WAT +ATOM 21891 H1 TIP3 5194 17.491 -32.816 -15.710 1.00 0.00 WAT +ATOM 21892 H2 TIP3 5194 17.020 -33.568 -14.485 1.00 0.00 WAT +ATOM 21893 OH2 TIP3 5195 24.179 -30.735 -21.836 1.00 0.00 WAT +ATOM 21894 H1 TIP3 5195 23.931 -29.871 -21.446 1.00 0.00 WAT +ATOM 21895 H2 TIP3 5195 23.427 -31.284 -21.548 1.00 0.00 WAT +ATOM 21896 OH2 TIP3 5196 14.200 -34.445 -9.674 1.00 0.00 WAT +ATOM 21897 H1 TIP3 5196 14.335 -34.886 -8.812 1.00 0.00 WAT +ATOM 21898 H2 TIP3 5196 13.559 -35.025 -10.118 1.00 0.00 WAT +ATOM 21899 OH2 TIP3 5197 21.160 -34.938 -7.671 1.00 0.00 WAT +ATOM 21900 H1 TIP3 5197 20.806 -35.175 -8.546 1.00 0.00 WAT +ATOM 21901 H2 TIP3 5197 22.095 -35.185 -7.781 1.00 0.00 WAT +ATOM 21902 OH2 TIP3 5198 25.680 -29.561 -9.946 1.00 0.00 WAT +ATOM 21903 H1 TIP3 5198 24.723 -29.400 -10.003 1.00 0.00 WAT +ATOM 21904 H2 TIP3 5198 25.881 -29.234 -9.053 1.00 0.00 WAT +ATOM 21905 OH2 TIP3 5199 31.210 -37.459 -21.184 1.00 0.00 WAT +ATOM 21906 H1 TIP3 5199 30.654 -37.611 -21.976 1.00 0.00 WAT +ATOM 21907 H2 TIP3 5199 31.355 -36.498 -21.301 1.00 0.00 WAT +ATOM 21908 OH2 TIP3 5200 31.678 -31.443 -8.384 1.00 0.00 WAT +ATOM 21909 H1 TIP3 5200 30.742 -31.212 -8.572 1.00 0.00 WAT +ATOM 21910 H2 TIP3 5200 32.010 -31.577 -9.293 1.00 0.00 WAT +ATOM 21911 OH2 TIP3 5201 29.346 -28.854 -21.151 1.00 0.00 WAT +ATOM 21912 H1 TIP3 5201 29.179 -29.566 -20.514 1.00 0.00 WAT +ATOM 21913 H2 TIP3 5201 29.996 -29.240 -21.751 1.00 0.00 WAT +ATOM 21914 OH2 TIP3 5202 26.679 -33.496 -13.704 1.00 0.00 WAT +ATOM 21915 H1 TIP3 5202 25.742 -33.639 -13.936 1.00 0.00 WAT +ATOM 21916 H2 TIP3 5202 27.110 -34.210 -14.210 1.00 0.00 WAT +ATOM 21917 OH2 TIP3 5203 19.314 -29.434 -17.711 1.00 0.00 WAT +ATOM 21918 H1 TIP3 5203 19.727 -28.558 -17.786 1.00 0.00 WAT +ATOM 21919 H2 TIP3 5203 18.387 -29.226 -17.879 1.00 0.00 WAT +ATOM 21920 OH2 TIP3 5204 15.300 -34.625 -23.062 1.00 0.00 WAT +ATOM 21921 H1 TIP3 5204 15.867 -33.939 -22.662 1.00 0.00 WAT +ATOM 21922 H2 TIP3 5204 14.423 -34.370 -22.714 1.00 0.00 WAT +ATOM 21923 OH2 TIP3 5205 21.136 -31.731 -18.065 1.00 0.00 WAT +ATOM 21924 H1 TIP3 5205 20.841 -30.818 -17.908 1.00 0.00 WAT +ATOM 21925 H2 TIP3 5205 20.432 -32.229 -17.623 1.00 0.00 WAT +ATOM 21926 OH2 TIP3 5206 21.308 -27.476 -11.704 1.00 0.00 WAT +ATOM 21927 H1 TIP3 5206 21.853 -26.715 -11.969 1.00 0.00 WAT +ATOM 21928 H2 TIP3 5206 21.920 -27.949 -11.117 1.00 0.00 WAT +ATOM 21929 OH2 TIP3 5207 19.750 -26.517 -18.465 1.00 0.00 WAT +ATOM 21930 H1 TIP3 5207 18.795 -26.367 -18.362 1.00 0.00 WAT +ATOM 21931 H2 TIP3 5207 20.109 -25.645 -18.212 1.00 0.00 WAT +ATOM 21932 OH2 TIP3 5208 24.687 -31.747 -12.140 1.00 0.00 WAT +ATOM 21933 H1 TIP3 5208 24.423 -31.970 -11.230 1.00 0.00 WAT +ATOM 21934 H2 TIP3 5208 25.456 -32.324 -12.272 1.00 0.00 WAT +ATOM 21935 OH2 TIP3 5209 26.876 -30.417 -23.211 1.00 0.00 WAT +ATOM 21936 H1 TIP3 5209 27.305 -30.856 -22.453 1.00 0.00 WAT +ATOM 21937 H2 TIP3 5209 25.949 -30.552 -22.953 1.00 0.00 WAT +ATOM 21938 OH2 TIP3 5210 27.634 -27.104 -9.720 1.00 0.00 WAT +ATOM 21939 H1 TIP3 5210 26.891 -27.552 -10.165 1.00 0.00 WAT +ATOM 21940 H2 TIP3 5210 27.806 -26.349 -10.313 1.00 0.00 WAT +ATOM 21941 OH2 TIP3 5211 31.650 -26.132 -22.741 1.00 0.00 WAT +ATOM 21942 H1 TIP3 5211 32.361 -25.471 -22.806 1.00 0.00 WAT +ATOM 21943 H2 TIP3 5211 30.882 -25.539 -22.652 1.00 0.00 WAT +ATOM 21944 OH2 TIP3 5212 15.521 -39.609 -10.066 1.00 0.00 WAT +ATOM 21945 H1 TIP3 5212 14.610 -39.424 -10.384 1.00 0.00 WAT +ATOM 21946 H2 TIP3 5212 15.356 -40.476 -9.635 1.00 0.00 WAT +ATOM 21947 OH2 TIP3 5213 27.834 -31.843 -20.861 1.00 0.00 WAT +ATOM 21948 H1 TIP3 5213 27.575 -32.521 -20.215 1.00 0.00 WAT +ATOM 21949 H2 TIP3 5213 28.796 -31.801 -20.729 1.00 0.00 WAT +ATOM 21950 OH2 TIP3 5214 15.273 -28.038 -11.663 1.00 0.00 WAT +ATOM 21951 H1 TIP3 5214 15.571 -28.938 -11.460 1.00 0.00 WAT +ATOM 21952 H2 TIP3 5214 15.464 -27.595 -10.826 1.00 0.00 WAT +ATOM 21953 OH2 TIP3 5215 21.127 -29.367 -24.635 1.00 0.00 WAT +ATOM 21954 H1 TIP3 5215 21.409 -30.169 -25.112 1.00 0.00 WAT +ATOM 21955 H2 TIP3 5215 20.700 -29.750 -23.848 1.00 0.00 WAT +ATOM 21956 OH2 TIP3 5216 19.983 -29.847 -21.933 1.00 0.00 WAT +ATOM 21957 H1 TIP3 5216 20.464 -30.365 -21.273 1.00 0.00 WAT +ATOM 21958 H2 TIP3 5216 20.107 -28.931 -21.602 1.00 0.00 WAT +ATOM 21959 OH2 TIP3 5217 16.806 -32.409 -21.523 1.00 0.00 WAT +ATOM 21960 H1 TIP3 5217 16.071 -32.030 -20.998 1.00 0.00 WAT +ATOM 21961 H2 TIP3 5217 17.267 -31.598 -21.797 1.00 0.00 WAT +ATOM 21962 OH2 TIP3 5218 24.459 -40.104 -11.440 1.00 0.00 WAT +ATOM 21963 H1 TIP3 5218 25.031 -39.800 -10.721 1.00 0.00 WAT +ATOM 21964 H2 TIP3 5218 24.060 -40.915 -11.075 1.00 0.00 WAT +ATOM 21965 OH2 TIP3 5219 25.309 -40.607 -20.267 1.00 0.00 WAT +ATOM 21966 H1 TIP3 5219 25.236 -39.991 -21.011 1.00 0.00 WAT +ATOM 21967 H2 TIP3 5219 25.547 -40.007 -19.538 1.00 0.00 WAT +ATOM 21968 OH2 TIP3 5220 22.903 -28.248 -21.305 1.00 0.00 WAT +ATOM 21969 H1 TIP3 5220 22.104 -27.739 -21.088 1.00 0.00 WAT +ATOM 21970 H2 TIP3 5220 23.273 -27.730 -22.031 1.00 0.00 WAT +ATOM 21971 OH2 TIP3 5221 22.583 -38.538 -19.251 1.00 0.00 WAT +ATOM 21972 H1 TIP3 5221 23.280 -37.863 -19.112 1.00 0.00 WAT +ATOM 21973 H2 TIP3 5221 22.248 -38.671 -18.341 1.00 0.00 WAT +ATOM 21974 OH2 TIP3 5222 22.882 -37.620 -10.149 1.00 0.00 WAT +ATOM 21975 H1 TIP3 5222 22.932 -37.087 -9.336 1.00 0.00 WAT +ATOM 21976 H2 TIP3 5222 23.458 -38.362 -9.933 1.00 0.00 WAT +ATOM 21977 OH2 TIP3 5223 23.307 -41.731 -18.217 1.00 0.00 WAT +ATOM 21978 H1 TIP3 5223 22.909 -40.981 -17.740 1.00 0.00 WAT +ATOM 21979 H2 TIP3 5223 23.783 -41.276 -18.933 1.00 0.00 WAT +ATOM 21980 OH2 TIP3 5224 20.110 -27.150 -21.291 1.00 0.00 WAT +ATOM 21981 H1 TIP3 5224 20.053 -26.329 -21.825 1.00 0.00 WAT +ATOM 21982 H2 TIP3 5224 19.969 -26.811 -20.387 1.00 0.00 WAT +ATOM 21983 OH2 TIP3 5225 18.803 -40.504 -21.771 1.00 0.00 WAT +ATOM 21984 H1 TIP3 5225 18.818 -39.688 -21.240 1.00 0.00 WAT +ATOM 21985 H2 TIP3 5225 19.678 -40.871 -21.546 1.00 0.00 WAT +ATOM 21986 OH2 TIP3 5226 29.251 -39.627 -9.321 1.00 0.00 WAT +ATOM 21987 H1 TIP3 5226 28.285 -39.523 -9.415 1.00 0.00 WAT +ATOM 21988 H2 TIP3 5226 29.461 -39.876 -10.231 1.00 0.00 WAT +ATOM 21989 OH2 TIP3 5227 27.688 -35.753 -15.253 1.00 0.00 WAT +ATOM 21990 H1 TIP3 5227 26.846 -36.186 -15.483 1.00 0.00 WAT +ATOM 21991 H2 TIP3 5227 28.158 -36.459 -14.758 1.00 0.00 WAT +ATOM 21992 OH2 TIP3 5228 17.236 -29.603 -22.760 1.00 0.00 WAT +ATOM 21993 H1 TIP3 5228 17.964 -29.099 -22.357 1.00 0.00 WAT +ATOM 21994 H2 TIP3 5228 17.739 -30.102 -23.422 1.00 0.00 WAT +ATOM 21995 OH2 TIP3 5229 15.392 -37.440 -23.661 1.00 0.00 WAT +ATOM 21996 H1 TIP3 5229 15.502 -36.500 -23.418 1.00 0.00 WAT +ATOM 21997 H2 TIP3 5229 14.510 -37.437 -24.056 1.00 0.00 WAT +ATOM 21998 OH2 TIP3 5230 15.579 -42.418 -14.648 1.00 0.00 WAT +ATOM 21999 H1 TIP3 5230 15.916 -42.409 -15.551 1.00 0.00 WAT +ATOM 22000 H2 TIP3 5230 15.729 -43.351 -14.427 1.00 0.00 WAT +ATOM 22001 OH2 TIP3 5231 15.177 -28.918 -18.595 1.00 0.00 WAT +ATOM 22002 H1 TIP3 5231 14.427 -28.380 -18.307 1.00 0.00 WAT +ATOM 22003 H2 TIP3 5231 15.569 -28.361 -19.285 1.00 0.00 WAT +ATOM 22004 OH2 TIP3 5232 14.572 -25.936 -7.388 1.00 0.00 WAT +ATOM 22005 H1 TIP3 5232 15.128 -26.208 -6.632 1.00 0.00 WAT +ATOM 22006 H2 TIP3 5232 14.170 -26.785 -7.656 1.00 0.00 WAT +ATOM 22007 OH2 TIP3 5233 19.231 -26.955 -5.633 1.00 0.00 WAT +ATOM 22008 H1 TIP3 5233 19.980 -27.537 -5.433 1.00 0.00 WAT +ATOM 22009 H2 TIP3 5233 19.060 -27.184 -6.560 1.00 0.00 WAT +ATOM 22010 OH2 TIP3 5234 23.344 -27.656 -24.155 1.00 0.00 WAT +ATOM 22011 H1 TIP3 5234 22.573 -28.262 -24.214 1.00 0.00 WAT +ATOM 22012 H2 TIP3 5234 24.040 -28.238 -24.497 1.00 0.00 WAT +ATOM 22013 OH2 TIP3 5235 25.775 -28.667 -7.081 1.00 0.00 WAT +ATOM 22014 H1 TIP3 5235 25.381 -29.466 -6.688 1.00 0.00 WAT +ATOM 22015 H2 TIP3 5235 26.448 -28.418 -6.425 1.00 0.00 WAT +ATOM 22016 OH2 TIP3 5236 27.977 -27.771 -24.043 1.00 0.00 WAT +ATOM 22017 H1 TIP3 5236 28.110 -28.548 -23.473 1.00 0.00 WAT +ATOM 22018 H2 TIP3 5236 28.797 -27.768 -24.565 1.00 0.00 WAT +ATOM 22019 OH2 TIP3 5237 14.548 -32.359 -6.308 1.00 0.00 WAT +ATOM 22020 H1 TIP3 5237 14.642 -33.254 -6.672 1.00 0.00 WAT +ATOM 22021 H2 TIP3 5237 13.782 -32.035 -6.820 1.00 0.00 WAT +ATOM 22022 OH2 TIP3 5238 18.768 -31.932 -24.297 1.00 0.00 WAT +ATOM 22023 H1 TIP3 5238 18.924 -32.513 -23.534 1.00 0.00 WAT +ATOM 22024 H2 TIP3 5238 19.635 -31.970 -24.740 1.00 0.00 WAT +ATOM 22025 OH2 TIP3 5239 21.192 -32.164 -6.967 1.00 0.00 WAT +ATOM 22026 H1 TIP3 5239 20.879 -31.817 -7.820 1.00 0.00 WAT +ATOM 22027 H2 TIP3 5239 21.244 -33.128 -7.129 1.00 0.00 WAT +ATOM 22028 OH2 TIP3 5240 24.016 -30.593 -24.682 1.00 0.00 WAT +ATOM 22029 H1 TIP3 5240 23.959 -30.637 -23.711 1.00 0.00 WAT +ATOM 22030 H2 TIP3 5240 23.954 -31.548 -24.896 1.00 0.00 WAT +ATOM 22031 OH2 TIP3 5241 26.556 -32.533 -9.588 1.00 0.00 WAT +ATOM 22032 H1 TIP3 5241 27.346 -31.995 -9.757 1.00 0.00 WAT +ATOM 22033 H2 TIP3 5241 25.868 -31.846 -9.591 1.00 0.00 WAT +ATOM 22034 OH2 TIP3 5242 15.414 -35.233 -7.140 1.00 0.00 WAT +ATOM 22035 H1 TIP3 5242 16.159 -35.856 -7.119 1.00 0.00 WAT +ATOM 22036 H2 TIP3 5242 15.360 -34.986 -6.203 1.00 0.00 WAT +ATOM 22037 OH2 TIP3 5243 19.854 -33.850 -21.958 1.00 0.00 WAT +ATOM 22038 H1 TIP3 5243 19.240 -34.346 -21.397 1.00 0.00 WAT +ATOM 22039 H2 TIP3 5243 20.148 -34.541 -22.586 1.00 0.00 WAT +ATOM 22040 OH2 TIP3 5244 19.076 -36.087 -9.695 1.00 0.00 WAT +ATOM 22041 H1 TIP3 5244 18.521 -35.306 -9.509 1.00 0.00 WAT +ATOM 22042 H2 TIP3 5244 19.717 -35.721 -10.330 1.00 0.00 WAT +ATOM 22043 OH2 TIP3 5245 20.798 -35.842 -23.699 1.00 0.00 WAT +ATOM 22044 H1 TIP3 5245 20.756 -35.750 -24.668 1.00 0.00 WAT +ATOM 22045 H2 TIP3 5245 21.761 -35.866 -23.546 1.00 0.00 WAT +ATOM 22046 OH2 TIP3 5246 24.372 -33.384 -6.151 1.00 0.00 WAT +ATOM 22047 H1 TIP3 5246 25.277 -33.560 -6.445 1.00 0.00 WAT +ATOM 22048 H2 TIP3 5246 24.134 -34.220 -5.730 1.00 0.00 WAT +ATOM 22049 OH2 TIP3 5247 30.322 -33.322 -24.380 1.00 0.00 WAT +ATOM 22050 H1 TIP3 5247 30.208 -33.723 -25.254 1.00 0.00 WAT +ATOM 22051 H2 TIP3 5247 30.221 -32.371 -24.602 1.00 0.00 WAT +ATOM 22052 OH2 TIP3 5248 19.661 -38.786 -8.599 1.00 0.00 WAT +ATOM 22053 H1 TIP3 5248 19.738 -39.429 -9.320 1.00 0.00 WAT +ATOM 22054 H2 TIP3 5248 19.452 -37.966 -9.084 1.00 0.00 WAT +ATOM 22055 OH2 TIP3 5249 20.046 -40.386 -11.189 1.00 0.00 WAT +ATOM 22056 H1 TIP3 5249 20.566 -39.805 -11.782 1.00 0.00 WAT +ATOM 22057 H2 TIP3 5249 19.130 -40.255 -11.511 1.00 0.00 WAT +ATOM 22058 OH2 TIP3 5250 21.553 -34.882 -10.718 1.00 0.00 WAT +ATOM 22059 H1 TIP3 5250 22.396 -34.935 -11.191 1.00 0.00 WAT +ATOM 22060 H2 TIP3 5250 21.232 -34.004 -11.006 1.00 0.00 WAT +ATOM 22061 OH2 TIP3 5251 26.114 -36.935 -5.945 1.00 0.00 WAT +ATOM 22062 H1 TIP3 5251 26.330 -37.862 -5.759 1.00 0.00 WAT +ATOM 22063 H2 TIP3 5251 26.996 -36.531 -5.972 1.00 0.00 WAT +ATOM 22064 OH2 TIP3 5252 27.107 -34.154 -7.452 1.00 0.00 WAT +ATOM 22065 H1 TIP3 5252 26.747 -33.535 -8.122 1.00 0.00 WAT +ATOM 22066 H2 TIP3 5252 28.007 -34.279 -7.816 1.00 0.00 WAT +ATOM 22067 OH2 TIP3 5253 17.892 -36.970 -6.738 1.00 0.00 WAT +ATOM 22068 H1 TIP3 5253 17.360 -37.783 -6.760 1.00 0.00 WAT +ATOM 22069 H2 TIP3 5253 18.689 -37.246 -7.217 1.00 0.00 WAT +ATOM 22070 OH2 TIP3 5254 20.513 -42.781 -9.979 1.00 0.00 WAT +ATOM 22071 H1 TIP3 5254 20.659 -41.872 -10.314 1.00 0.00 WAT +ATOM 22072 H2 TIP3 5254 19.565 -42.850 -10.150 1.00 0.00 WAT +ATOM 22073 OH2 TIP3 5255 22.004 -38.452 -7.001 1.00 0.00 WAT +ATOM 22074 H1 TIP3 5255 21.684 -38.707 -6.118 1.00 0.00 WAT +ATOM 22075 H2 TIP3 5255 21.192 -38.627 -7.520 1.00 0.00 WAT +ATOM 22076 OH2 TIP3 5256 24.580 -39.463 -8.031 1.00 0.00 WAT +ATOM 22077 H1 TIP3 5256 23.698 -39.298 -7.648 1.00 0.00 WAT +ATOM 22078 H2 TIP3 5256 24.955 -40.094 -7.390 1.00 0.00 WAT +ATOM 22079 OH2 TIP3 5257 26.316 -41.369 -6.333 1.00 0.00 WAT +ATOM 22080 H1 TIP3 5257 26.176 -42.239 -5.942 1.00 0.00 WAT +ATOM 22081 H2 TIP3 5257 26.178 -40.771 -5.580 1.00 0.00 WAT +ATOM 22082 OH2 TIP3 5258 16.679 -39.604 -6.894 1.00 0.00 WAT +ATOM 22083 H1 TIP3 5258 16.395 -40.199 -7.609 1.00 0.00 WAT +ATOM 22084 H2 TIP3 5258 16.212 -39.971 -6.128 1.00 0.00 WAT +ATOM 22085 OH2 TIP3 5259 21.626 -41.465 -5.889 1.00 0.00 WAT +ATOM 22086 H1 TIP3 5259 21.387 -42.282 -6.364 1.00 0.00 WAT +ATOM 22087 H2 TIP3 5259 20.781 -40.983 -5.835 1.00 0.00 WAT +ATOM 22088 OH2 TIP3 5260 20.582 -24.622 -22.609 1.00 0.00 WAT +ATOM 22089 H1 TIP3 5260 21.529 -24.468 -22.482 1.00 0.00 WAT +ATOM 22090 H2 TIP3 5260 20.427 -24.132 -23.427 1.00 0.00 WAT +ATOM 22091 OH2 TIP3 5261 14.479 -30.196 -23.074 1.00 0.00 WAT +ATOM 22092 H1 TIP3 5261 15.431 -30.009 -22.926 1.00 0.00 WAT +ATOM 22093 H2 TIP3 5261 14.513 -30.988 -23.645 1.00 0.00 WAT +ATOM 22094 OH2 TIP3 5262 13.487 -25.018 -18.335 1.00 0.00 WAT +ATOM 22095 H1 TIP3 5262 12.761 -25.388 -18.873 1.00 0.00 WAT +ATOM 22096 H2 TIP3 5262 13.578 -25.696 -17.636 1.00 0.00 WAT +ATOM 22097 OH2 TIP3 5263 13.878 -27.000 -16.352 1.00 0.00 WAT +ATOM 22098 H1 TIP3 5263 13.575 -27.861 -16.016 1.00 0.00 WAT +ATOM 22099 H2 TIP3 5263 14.207 -26.624 -15.519 1.00 0.00 WAT +ATOM 22100 OH2 TIP3 5264 31.334 -26.216 -10.173 1.00 0.00 WAT +ATOM 22101 H1 TIP3 5264 31.062 -26.634 -11.010 1.00 0.00 WAT +ATOM 22102 H2 TIP3 5264 31.843 -26.928 -9.764 1.00 0.00 WAT +ATOM 22103 OH2 TIP3 5265 29.314 -30.874 -6.139 1.00 0.00 WAT +ATOM 22104 H1 TIP3 5265 28.417 -30.761 -5.780 1.00 0.00 WAT +ATOM 22105 H2 TIP3 5265 29.751 -30.042 -5.890 1.00 0.00 WAT +ATOM 22106 OH2 TIP3 5266 30.716 -31.949 -20.448 1.00 0.00 WAT +ATOM 22107 H1 TIP3 5266 31.618 -31.619 -20.275 1.00 0.00 WAT +ATOM 22108 H2 TIP3 5266 30.619 -32.574 -19.708 1.00 0.00 WAT +ATOM 22109 OH2 TIP3 5267 31.172 -34.012 -18.485 1.00 0.00 WAT +ATOM 22110 H1 TIP3 5267 30.496 -34.545 -18.023 1.00 0.00 WAT +ATOM 22111 H2 TIP3 5267 31.844 -33.853 -17.793 1.00 0.00 WAT +ATOM 22112 OH2 TIP3 5268 30.833 -31.518 -13.463 1.00 0.00 WAT +ATOM 22113 H1 TIP3 5268 31.494 -31.904 -14.053 1.00 0.00 WAT +ATOM 22114 H2 TIP3 5268 30.891 -30.578 -13.713 1.00 0.00 WAT +ATOM 22115 OH2 TIP3 5269 29.526 -28.783 -11.101 1.00 0.00 WAT +ATOM 22116 H1 TIP3 5269 28.915 -28.119 -10.743 1.00 0.00 WAT +ATOM 22117 H2 TIP3 5269 29.261 -28.834 -12.036 1.00 0.00 WAT +ATOM 22118 OH2 TIP3 5270 31.425 -34.551 -21.881 1.00 0.00 WAT +ATOM 22119 H1 TIP3 5270 30.916 -34.246 -22.656 1.00 0.00 WAT +ATOM 22120 H2 TIP3 5270 31.291 -33.807 -21.272 1.00 0.00 WAT +ATOM 22121 OH2 TIP3 5271 29.730 -37.013 -23.620 1.00 0.00 WAT +ATOM 22122 H1 TIP3 5271 29.962 -36.367 -24.303 1.00 0.00 WAT +ATOM 22123 H2 TIP3 5271 29.450 -37.783 -24.147 1.00 0.00 WAT +ATOM 22124 OH2 TIP3 5272 29.114 -35.858 -17.639 1.00 0.00 WAT +ATOM 22125 H1 TIP3 5272 29.003 -36.808 -17.787 1.00 0.00 WAT +ATOM 22126 H2 TIP3 5272 28.730 -35.738 -16.745 1.00 0.00 WAT +ATOM 22127 OH2 TIP3 5273 13.943 -33.657 -13.951 1.00 0.00 WAT +ATOM 22128 H1 TIP3 5273 14.197 -33.581 -14.885 1.00 0.00 WAT +ATOM 22129 H2 TIP3 5273 14.811 -33.852 -13.543 1.00 0.00 WAT +ATOM 22130 OH2 TIP3 5274 29.704 -33.948 -8.504 1.00 0.00 WAT +ATOM 22131 H1 TIP3 5274 30.465 -34.529 -8.313 1.00 0.00 WAT +ATOM 22132 H2 TIP3 5274 30.125 -33.101 -8.710 1.00 0.00 WAT +ATOM 22133 OH2 TIP3 5275 31.279 -35.837 -7.295 1.00 0.00 WAT +ATOM 22134 H1 TIP3 5275 30.475 -36.356 -7.515 1.00 0.00 WAT +ATOM 22135 H2 TIP3 5275 31.962 -36.532 -7.310 1.00 0.00 WAT +ATOM 22136 OH2 TIP3 5276 29.114 -39.693 -24.476 1.00 0.00 WAT +ATOM 22137 H1 TIP3 5276 29.679 -40.117 -23.811 1.00 0.00 WAT +ATOM 22138 H2 TIP3 5276 28.274 -40.166 -24.397 1.00 0.00 WAT +ATOM 22139 OH2 TIP3 5277 28.954 -38.355 -19.449 1.00 0.00 WAT +ATOM 22140 H1 TIP3 5277 29.222 -39.294 -19.428 1.00 0.00 WAT +ATOM 22141 H2 TIP3 5277 29.734 -37.952 -19.869 1.00 0.00 WAT +ATOM 22142 OH2 TIP3 5278 29.195 -37.764 -14.070 1.00 0.00 WAT +ATOM 22143 H1 TIP3 5278 30.169 -37.665 -14.066 1.00 0.00 WAT +ATOM 22144 H2 TIP3 5278 29.029 -37.747 -13.111 1.00 0.00 WAT +ATOM 22145 OH2 TIP3 5279 29.334 -37.062 -11.231 1.00 0.00 WAT +ATOM 22146 H1 TIP3 5279 28.499 -36.647 -10.943 1.00 0.00 WAT +ATOM 22147 H2 TIP3 5279 29.886 -36.279 -11.419 1.00 0.00 WAT +ATOM 22148 OH2 TIP3 5280 13.810 -38.356 -7.408 1.00 0.00 WAT +ATOM 22149 H1 TIP3 5280 14.727 -38.591 -7.602 1.00 0.00 WAT +ATOM 22150 H2 TIP3 5280 13.364 -39.216 -7.449 1.00 0.00 WAT +ATOM 22151 OH2 TIP3 5281 31.507 -42.778 -5.434 1.00 0.00 WAT +ATOM 22152 H1 TIP3 5281 32.029 -43.561 -5.639 1.00 0.00 WAT +ATOM 22153 H2 TIP3 5281 31.547 -42.193 -6.223 1.00 0.00 WAT +ATOM 22154 OH2 TIP3 5282 29.433 -41.204 -19.447 1.00 0.00 WAT +ATOM 22155 H1 TIP3 5282 29.392 -41.441 -18.508 1.00 0.00 WAT +ATOM 22156 H2 TIP3 5282 28.647 -41.662 -19.804 1.00 0.00 WAT +ATOM 22157 OH2 TIP3 5283 14.576 -39.911 -14.780 1.00 0.00 WAT +ATOM 22158 H1 TIP3 5283 14.890 -40.828 -14.620 1.00 0.00 WAT +ATOM 22159 H2 TIP3 5283 15.289 -39.392 -14.364 1.00 0.00 WAT +ATOM 22160 OH2 TIP3 5284 13.185 -37.281 -13.686 1.00 0.00 WAT +ATOM 22161 H1 TIP3 5284 13.734 -37.293 -14.483 1.00 0.00 WAT +ATOM 22162 H2 TIP3 5284 13.530 -36.502 -13.231 1.00 0.00 WAT +ATOM 22163 OH2 TIP3 5285 31.297 -41.109 -7.591 1.00 0.00 WAT +ATOM 22164 H1 TIP3 5285 30.443 -40.645 -7.506 1.00 0.00 WAT +ATOM 22165 H2 TIP3 5285 31.198 -41.463 -8.493 1.00 0.00 WAT +ATOM 22166 OH2 TIP3 5286 31.342 -40.646 -22.725 1.00 0.00 WAT +ATOM 22167 H1 TIP3 5286 31.577 -41.441 -23.240 1.00 0.00 WAT +ATOM 22168 H2 TIP3 5286 32.161 -40.127 -22.735 1.00 0.00 WAT +ATOM 22169 OH2 TIP3 5287 13.714 -41.050 -19.695 1.00 0.00 WAT +ATOM 22170 H1 TIP3 5287 12.757 -40.923 -19.830 1.00 0.00 WAT +ATOM 22171 H2 TIP3 5287 14.099 -40.329 -20.237 1.00 0.00 WAT +ATOM 22172 OH2 TIP3 5288 28.271 -25.621 -17.537 1.00 0.00 WAT +ATOM 22173 H1 TIP3 5288 28.788 -25.933 -18.297 1.00 0.00 WAT +ATOM 22174 H2 TIP3 5288 28.970 -25.360 -16.922 1.00 0.00 WAT +ATOM 22175 OH2 TIP3 5289 13.520 -41.280 -11.120 1.00 0.00 WAT +ATOM 22176 H1 TIP3 5289 13.484 -42.225 -10.875 1.00 0.00 WAT +ATOM 22177 H2 TIP3 5289 13.242 -41.307 -12.048 1.00 0.00 WAT +ATOM 22178 OH2 TIP3 5290 15.694 -29.013 -6.818 1.00 0.00 WAT +ATOM 22179 H1 TIP3 5290 14.962 -28.956 -7.450 1.00 0.00 WAT +ATOM 22180 H2 TIP3 5290 15.243 -28.948 -5.967 1.00 0.00 WAT +ATOM 22181 OH2 TIP3 5291 18.543 -27.990 -11.151 1.00 0.00 WAT +ATOM 22182 H1 TIP3 5291 18.223 -27.134 -11.486 1.00 0.00 WAT +ATOM 22183 H2 TIP3 5291 19.501 -27.882 -11.320 1.00 0.00 WAT +ATOM 22184 OH2 TIP3 5292 23.064 -26.706 -8.138 1.00 0.00 WAT +ATOM 22185 H1 TIP3 5292 23.195 -26.827 -7.184 1.00 0.00 WAT +ATOM 22186 H2 TIP3 5292 23.880 -26.225 -8.387 1.00 0.00 WAT +ATOM 22187 OH2 TIP3 5293 25.330 -25.223 -8.887 1.00 0.00 WAT +ATOM 22188 H1 TIP3 5293 26.041 -25.839 -9.121 1.00 0.00 WAT +ATOM 22189 H2 TIP3 5293 25.634 -24.910 -8.012 1.00 0.00 WAT +ATOM 22190 OH2 TIP3 5294 29.928 -42.773 -9.690 1.00 0.00 WAT +ATOM 22191 H1 TIP3 5294 29.442 -42.129 -10.233 1.00 0.00 WAT +ATOM 22192 H2 TIP3 5294 30.038 -43.483 -10.342 1.00 0.00 WAT +ATOM 22193 OH2 TIP3 5295 15.911 -25.061 -10.808 1.00 0.00 WAT +ATOM 22194 H1 TIP3 5295 15.319 -24.429 -11.254 1.00 0.00 WAT +ATOM 22195 H2 TIP3 5295 15.619 -24.954 -9.894 1.00 0.00 WAT +ATOM 22196 OH2 TIP3 5296 18.403 -25.266 -12.271 1.00 0.00 WAT +ATOM 22197 H1 TIP3 5296 17.558 -25.070 -11.821 1.00 0.00 WAT +ATOM 22198 H2 TIP3 5296 18.450 -24.554 -12.936 1.00 0.00 WAT +ATOM 22199 OH2 TIP3 5297 23.155 -25.253 -12.700 1.00 0.00 WAT +ATOM 22200 H1 TIP3 5297 22.779 -24.790 -13.469 1.00 0.00 WAT +ATOM 22201 H2 TIP3 5297 23.247 -24.518 -12.062 1.00 0.00 WAT +ATOM 22202 OH2 TIP3 5298 25.480 -26.568 -11.795 1.00 0.00 WAT +ATOM 22203 H1 TIP3 5298 24.648 -26.152 -12.090 1.00 0.00 WAT +ATOM 22204 H2 TIP3 5298 26.099 -25.822 -11.844 1.00 0.00 WAT +ATOM 22205 OH2 TIP3 5299 28.077 -24.982 -11.772 1.00 0.00 WAT +ATOM 22206 H1 TIP3 5299 27.986 -24.039 -11.999 1.00 0.00 WAT +ATOM 22207 H2 TIP3 5299 28.583 -25.285 -12.553 1.00 0.00 WAT +ATOM 22208 OH2 TIP3 5300 15.497 -26.230 -13.875 1.00 0.00 WAT +ATOM 22209 H1 TIP3 5300 15.465 -26.707 -13.017 1.00 0.00 WAT +ATOM 22210 H2 TIP3 5300 16.266 -26.666 -14.291 1.00 0.00 WAT +ATOM 22211 OH2 TIP3 5301 17.522 -27.485 -15.451 1.00 0.00 WAT +ATOM 22212 H1 TIP3 5301 17.357 -28.403 -15.150 1.00 0.00 WAT +ATOM 22213 H2 TIP3 5301 18.423 -27.321 -15.108 1.00 0.00 WAT +ATOM 22214 OH2 TIP3 5302 20.263 -27.022 -14.540 1.00 0.00 WAT +ATOM 22215 H1 TIP3 5302 20.456 -27.955 -14.737 1.00 0.00 WAT +ATOM 22216 H2 TIP3 5302 20.337 -27.027 -13.573 1.00 0.00 WAT +ATOM 22217 OH2 TIP3 5303 23.587 -41.124 -15.227 1.00 0.00 WAT +ATOM 22218 H1 TIP3 5303 22.942 -41.807 -14.957 1.00 0.00 WAT +ATOM 22219 H2 TIP3 5303 24.143 -41.611 -15.849 1.00 0.00 WAT +ATOM 22220 OH2 TIP3 5304 28.858 -43.337 -14.816 1.00 0.00 WAT +ATOM 22221 H1 TIP3 5304 29.401 -42.831 -15.434 1.00 0.00 WAT +ATOM 22222 H2 TIP3 5304 27.957 -43.087 -15.066 1.00 0.00 WAT +ATOM 22223 OH2 TIP3 5305 30.911 -42.268 -17.116 1.00 0.00 WAT +ATOM 22224 H1 TIP3 5305 31.571 -42.066 -17.785 1.00 0.00 WAT +ATOM 22225 H2 TIP3 5305 30.874 -41.391 -16.684 1.00 0.00 WAT +ATOM 22226 OH2 TIP3 5306 15.941 -42.849 -17.969 1.00 0.00 WAT +ATOM 22227 H1 TIP3 5306 15.008 -43.044 -18.116 1.00 0.00 WAT +ATOM 22228 H2 TIP3 5306 16.265 -43.643 -17.534 1.00 0.00 WAT +ATOM 22229 OH2 TIP3 5307 14.487 -42.913 -21.685 1.00 0.00 WAT +ATOM 22230 H1 TIP3 5307 14.964 -42.432 -22.389 1.00 0.00 WAT +ATOM 22231 H2 TIP3 5307 14.155 -42.172 -21.143 1.00 0.00 WAT +ATOM 22232 OH2 TIP3 5308 20.420 -42.279 -17.686 1.00 0.00 WAT +ATOM 22233 H1 TIP3 5308 21.371 -42.352 -17.844 1.00 0.00 WAT +ATOM 22234 H2 TIP3 5308 20.267 -42.918 -16.983 1.00 0.00 WAT +ATOM 22235 OH2 TIP3 5309 26.069 -42.662 -16.275 1.00 0.00 WAT +ATOM 22236 H1 TIP3 5309 26.241 -42.645 -17.222 1.00 0.00 WAT +ATOM 22237 H2 TIP3 5309 25.829 -43.584 -16.106 1.00 0.00 WAT +ATOM 22238 OH2 TIP3 5310 27.121 -42.743 -20.439 1.00 0.00 WAT +ATOM 22239 H1 TIP3 5310 26.371 -42.112 -20.518 1.00 0.00 WAT +ATOM 22240 H2 TIP3 5310 26.662 -43.589 -20.350 1.00 0.00 WAT +ATOM 22241 OH2 TIP3 5311 14.924 -26.969 -20.661 1.00 0.00 WAT +ATOM 22242 H1 TIP3 5311 14.280 -27.061 -21.380 1.00 0.00 WAT +ATOM 22243 H2 TIP3 5311 14.913 -26.010 -20.540 1.00 0.00 WAT +ATOM 22244 OH2 TIP3 5312 16.423 -41.281 -23.245 1.00 0.00 WAT +ATOM 22245 H1 TIP3 5312 17.136 -41.598 -23.827 1.00 0.00 WAT +ATOM 22246 H2 TIP3 5312 16.935 -40.738 -22.618 1.00 0.00 WAT +ATOM 22247 OH2 TIP3 5313 21.699 -40.600 -20.975 1.00 0.00 WAT +ATOM 22248 H1 TIP3 5313 21.725 -41.444 -20.480 1.00 0.00 WAT +ATOM 22249 H2 TIP3 5313 21.829 -39.921 -20.285 1.00 0.00 WAT +ATOM 22250 OH2 TIP3 5314 23.627 -25.119 -22.527 1.00 0.00 WAT +ATOM 22251 H1 TIP3 5314 24.601 -25.134 -22.553 1.00 0.00 WAT +ATOM 22252 H2 TIP3 5314 23.419 -25.786 -23.201 1.00 0.00 WAT +ATOM 22253 OH2 TIP3 5315 30.168 -26.121 -19.967 1.00 0.00 WAT +ATOM 22254 H1 TIP3 5315 29.886 -26.946 -20.409 1.00 0.00 WAT +ATOM 22255 H2 TIP3 5315 30.042 -25.468 -20.672 1.00 0.00 WAT +ATOM 22256 OH2 TIP3 5316 15.553 -41.785 -8.459 1.00 0.00 WAT +ATOM 22257 H1 TIP3 5316 15.096 -42.579 -8.146 1.00 0.00 WAT +ATOM 22258 H2 TIP3 5316 16.439 -42.158 -8.574 1.00 0.00 WAT +ATOM 22259 OH2 TIP3 5317 18.481 -42.788 -5.822 1.00 0.00 WAT +ATOM 22260 H1 TIP3 5317 19.351 -43.054 -6.193 1.00 0.00 WAT +ATOM 22261 H2 TIP3 5317 18.245 -43.568 -5.308 1.00 0.00 WAT +ATOM 22262 OH2 TIP3 5318 16.372 -26.030 -23.839 1.00 0.00 WAT +ATOM 22263 H1 TIP3 5318 16.144 -25.735 -22.945 1.00 0.00 WAT +ATOM 22264 H2 TIP3 5318 17.163 -26.572 -23.686 1.00 0.00 WAT +ATOM 22265 OH2 TIP3 5319 29.595 -27.371 -7.508 1.00 0.00 WAT +ATOM 22266 H1 TIP3 5319 28.909 -27.544 -8.178 1.00 0.00 WAT +ATOM 22267 H2 TIP3 5319 29.468 -26.412 -7.376 1.00 0.00 WAT +ATOM 22268 OH2 TIP3 5320 43.005 -34.374 -14.322 1.00 0.00 WAT +ATOM 22269 H1 TIP3 5320 42.565 -34.712 -13.525 1.00 0.00 WAT +ATOM 22270 H2 TIP3 5320 42.420 -34.716 -15.021 1.00 0.00 WAT +ATOM 22271 OH2 TIP3 5321 35.211 -34.668 -12.699 1.00 0.00 WAT +ATOM 22272 H1 TIP3 5321 35.141 -35.386 -12.044 1.00 0.00 WAT +ATOM 22273 H2 TIP3 5321 35.829 -34.070 -12.255 1.00 0.00 WAT +ATOM 22274 OH2 TIP3 5322 35.854 -29.970 -14.179 1.00 0.00 WAT +ATOM 22275 H1 TIP3 5322 35.552 -30.871 -14.412 1.00 0.00 WAT +ATOM 22276 H2 TIP3 5322 36.781 -30.144 -13.964 1.00 0.00 WAT +ATOM 22277 OH2 TIP3 5323 32.794 -36.651 -18.795 1.00 0.00 WAT +ATOM 22278 H1 TIP3 5323 32.462 -35.747 -18.656 1.00 0.00 WAT +ATOM 22279 H2 TIP3 5323 32.035 -37.061 -19.228 1.00 0.00 WAT +ATOM 22280 OH2 TIP3 5324 33.605 -34.153 -16.970 1.00 0.00 WAT +ATOM 22281 H1 TIP3 5324 33.756 -34.949 -16.426 1.00 0.00 WAT +ATOM 22282 H2 TIP3 5324 34.464 -34.032 -17.394 1.00 0.00 WAT +ATOM 22283 OH2 TIP3 5325 41.230 -31.794 -13.649 1.00 0.00 WAT +ATOM 22284 H1 TIP3 5325 41.607 -32.304 -14.379 1.00 0.00 WAT +ATOM 22285 H2 TIP3 5325 42.002 -31.332 -13.307 1.00 0.00 WAT +ATOM 22286 OH2 TIP3 5326 37.440 -39.413 -16.171 1.00 0.00 WAT +ATOM 22287 H1 TIP3 5326 37.598 -38.556 -16.612 1.00 0.00 WAT +ATOM 22288 H2 TIP3 5326 37.079 -39.927 -16.917 1.00 0.00 WAT +ATOM 22289 OH2 TIP3 5327 34.127 -36.631 -15.695 1.00 0.00 WAT +ATOM 22290 H1 TIP3 5327 34.724 -37.106 -15.095 1.00 0.00 WAT +ATOM 22291 H2 TIP3 5327 34.224 -37.143 -16.517 1.00 0.00 WAT +ATOM 22292 OH2 TIP3 5328 39.575 -35.299 -16.194 1.00 0.00 WAT +ATOM 22293 H1 TIP3 5328 40.268 -35.903 -15.857 1.00 0.00 WAT +ATOM 22294 H2 TIP3 5328 39.015 -35.923 -16.690 1.00 0.00 WAT +ATOM 22295 OH2 TIP3 5329 36.241 -40.550 -12.023 1.00 0.00 WAT +ATOM 22296 H1 TIP3 5329 35.884 -39.983 -12.727 1.00 0.00 WAT +ATOM 22297 H2 TIP3 5329 35.569 -40.389 -11.326 1.00 0.00 WAT +ATOM 22298 OH2 TIP3 5330 39.147 -32.754 -11.899 1.00 0.00 WAT +ATOM 22299 H1 TIP3 5330 38.411 -32.172 -11.610 1.00 0.00 WAT +ATOM 22300 H2 TIP3 5330 39.771 -32.112 -12.281 1.00 0.00 WAT +ATOM 22301 OH2 TIP3 5331 35.829 -38.550 -14.083 1.00 0.00 WAT +ATOM 22302 H1 TIP3 5331 36.446 -37.939 -13.629 1.00 0.00 WAT +ATOM 22303 H2 TIP3 5331 36.412 -38.897 -14.793 1.00 0.00 WAT +ATOM 22304 OH2 TIP3 5332 37.159 -30.843 -11.173 1.00 0.00 WAT +ATOM 22305 H1 TIP3 5332 37.130 -29.922 -11.493 1.00 0.00 WAT +ATOM 22306 H2 TIP3 5332 36.284 -30.884 -10.735 1.00 0.00 WAT +ATOM 22307 OH2 TIP3 5333 33.473 -31.148 -20.322 1.00 0.00 WAT +ATOM 22308 H1 TIP3 5333 33.264 -30.623 -21.112 1.00 0.00 WAT +ATOM 22309 H2 TIP3 5333 33.657 -30.453 -19.648 1.00 0.00 WAT +ATOM 22310 OH2 TIP3 5334 40.465 43.800 -14.798 1.00 0.00 WAT +ATOM 22311 H1 TIP3 5334 40.476 42.843 -14.645 1.00 0.00 WAT +ATOM 22312 H2 TIP3 5334 39.593 44.084 -14.462 1.00 0.00 WAT +ATOM 22313 OH2 TIP3 5335 42.757 -34.198 -20.216 1.00 0.00 WAT +ATOM 22314 H1 TIP3 5335 42.039 -33.541 -20.338 1.00 0.00 WAT +ATOM 22315 H2 TIP3 5335 43.298 -34.001 -20.984 1.00 0.00 WAT +ATOM 22316 OH2 TIP3 5336 42.863 -35.801 -23.087 1.00 0.00 WAT +ATOM 22317 H1 TIP3 5336 43.665 -35.848 -22.547 1.00 0.00 WAT +ATOM 22318 H2 TIP3 5336 42.918 -36.597 -23.627 1.00 0.00 WAT +ATOM 22319 OH2 TIP3 5337 37.595 -33.385 -17.305 1.00 0.00 WAT +ATOM 22320 H1 TIP3 5337 37.264 -33.800 -18.125 1.00 0.00 WAT +ATOM 22321 H2 TIP3 5337 38.231 -34.043 -16.983 1.00 0.00 WAT +ATOM 22322 OH2 TIP3 5338 38.953 -30.012 -14.541 1.00 0.00 WAT +ATOM 22323 H1 TIP3 5338 38.862 -30.367 -15.435 1.00 0.00 WAT +ATOM 22324 H2 TIP3 5338 39.757 -30.449 -14.218 1.00 0.00 WAT +ATOM 22325 OH2 TIP3 5339 38.196 -34.607 -13.808 1.00 0.00 WAT +ATOM 22326 H1 TIP3 5339 38.750 -34.516 -14.604 1.00 0.00 WAT +ATOM 22327 H2 TIP3 5339 38.516 -33.888 -13.230 1.00 0.00 WAT +ATOM 22328 OH2 TIP3 5340 39.028 -30.228 -8.999 1.00 0.00 WAT +ATOM 22329 H1 TIP3 5340 38.520 -29.565 -8.495 1.00 0.00 WAT +ATOM 22330 H2 TIP3 5340 38.376 -30.476 -9.682 1.00 0.00 WAT +ATOM 22331 OH2 TIP3 5341 35.944 -33.873 -9.860 1.00 0.00 WAT +ATOM 22332 H1 TIP3 5341 36.006 -33.277 -9.090 1.00 0.00 WAT +ATOM 22333 H2 TIP3 5341 34.978 -33.979 -9.932 1.00 0.00 WAT +ATOM 22334 OH2 TIP3 5342 42.488 -28.149 -18.084 1.00 0.00 WAT +ATOM 22335 H1 TIP3 5342 42.994 -27.619 -17.445 1.00 0.00 WAT +ATOM 22336 H2 TIP3 5342 41.989 -27.464 -18.550 1.00 0.00 WAT +ATOM 22337 OH2 TIP3 5343 37.123 -28.072 -8.156 1.00 0.00 WAT +ATOM 22338 H1 TIP3 5343 37.005 -28.016 -9.121 1.00 0.00 WAT +ATOM 22339 H2 TIP3 5343 36.233 -28.325 -7.845 1.00 0.00 WAT +ATOM 22340 OH2 TIP3 5344 36.498 -34.637 -19.763 1.00 0.00 WAT +ATOM 22341 H1 TIP3 5344 36.308 -33.860 -20.319 1.00 0.00 WAT +ATOM 22342 H2 TIP3 5344 35.811 -35.253 -20.050 1.00 0.00 WAT +ATOM 22343 OH2 TIP3 5345 32.595 -31.965 -11.041 1.00 0.00 WAT +ATOM 22344 H1 TIP3 5345 32.122 -31.923 -11.896 1.00 0.00 WAT +ATOM 22345 H2 TIP3 5345 32.667 -32.924 -10.890 1.00 0.00 WAT +ATOM 22346 OH2 TIP3 5346 32.727 -29.265 -14.157 1.00 0.00 WAT +ATOM 22347 H1 TIP3 5346 33.670 -29.243 -13.945 1.00 0.00 WAT +ATOM 22348 H2 TIP3 5346 32.381 -28.473 -13.706 1.00 0.00 WAT +ATOM 22349 OH2 TIP3 5347 41.715 -29.240 -9.498 1.00 0.00 WAT +ATOM 22350 H1 TIP3 5347 41.828 -28.359 -9.108 1.00 0.00 WAT +ATOM 22351 H2 TIP3 5347 40.796 -29.469 -9.263 1.00 0.00 WAT +ATOM 22352 OH2 TIP3 5348 41.853 -25.391 -19.589 1.00 0.00 WAT +ATOM 22353 H1 TIP3 5348 42.055 -25.332 -20.534 1.00 0.00 WAT +ATOM 22354 H2 TIP3 5348 42.067 -24.512 -19.249 1.00 0.00 WAT +ATOM 22355 OH2 TIP3 5349 35.749 -26.278 -17.952 1.00 0.00 WAT +ATOM 22356 H1 TIP3 5349 35.888 -26.689 -17.071 1.00 0.00 WAT +ATOM 22357 H2 TIP3 5349 34.862 -26.599 -18.161 1.00 0.00 WAT +ATOM 22358 OH2 TIP3 5350 34.768 -30.426 -9.800 1.00 0.00 WAT +ATOM 22359 H1 TIP3 5350 35.018 -30.904 -8.984 1.00 0.00 WAT +ATOM 22360 H2 TIP3 5350 34.008 -30.939 -10.135 1.00 0.00 WAT +ATOM 22361 OH2 TIP3 5351 37.932 -42.174 -13.905 1.00 0.00 WAT +ATOM 22362 H1 TIP3 5351 37.058 -42.327 -14.284 1.00 0.00 WAT +ATOM 22363 H2 TIP3 5351 37.761 -41.362 -13.405 1.00 0.00 WAT +ATOM 22364 OH2 TIP3 5352 42.252 -43.002 -10.256 1.00 0.00 WAT +ATOM 22365 H1 TIP3 5352 42.546 -43.236 -9.371 1.00 0.00 WAT +ATOM 22366 H2 TIP3 5352 41.302 -42.848 -10.121 1.00 0.00 WAT +ATOM 22367 OH2 TIP3 5353 42.272 -39.904 -23.075 1.00 0.00 WAT +ATOM 22368 H1 TIP3 5353 41.611 -40.019 -22.373 1.00 0.00 WAT +ATOM 22369 H2 TIP3 5353 41.888 -40.505 -23.744 1.00 0.00 WAT +ATOM 22370 OH2 TIP3 5354 37.807 -37.154 -12.610 1.00 0.00 WAT +ATOM 22371 H1 TIP3 5354 37.189 -37.050 -11.865 1.00 0.00 WAT +ATOM 22372 H2 TIP3 5354 37.850 -36.242 -12.973 1.00 0.00 WAT +ATOM 22373 OH2 TIP3 5355 37.761 -37.077 -17.724 1.00 0.00 WAT +ATOM 22374 H1 TIP3 5355 36.802 -37.133 -17.878 1.00 0.00 WAT +ATOM 22375 H2 TIP3 5355 38.099 -37.257 -18.625 1.00 0.00 WAT +ATOM 22376 OH2 TIP3 5356 42.816 -36.879 -19.640 1.00 0.00 WAT +ATOM 22377 H1 TIP3 5356 42.554 -35.937 -19.589 1.00 0.00 WAT +ATOM 22378 H2 TIP3 5356 43.660 -36.809 -20.104 1.00 0.00 WAT +ATOM 22379 OH2 TIP3 5357 42.484 -36.265 -7.463 1.00 0.00 WAT +ATOM 22380 H1 TIP3 5357 41.933 -37.061 -7.281 1.00 0.00 WAT +ATOM 22381 H2 TIP3 5357 43.364 -36.689 -7.438 1.00 0.00 WAT +ATOM 22382 OH2 TIP3 5358 35.226 -36.997 -10.804 1.00 0.00 WAT +ATOM 22383 H1 TIP3 5358 35.377 -36.664 -9.911 1.00 0.00 WAT +ATOM 22384 H2 TIP3 5358 34.793 -37.853 -10.613 1.00 0.00 WAT +ATOM 22385 OH2 TIP3 5359 38.612 -39.401 -24.200 1.00 0.00 WAT +ATOM 22386 H1 TIP3 5359 38.213 -39.783 -23.399 1.00 0.00 WAT +ATOM 22387 H2 TIP3 5359 37.846 -39.230 -24.764 1.00 0.00 WAT +ATOM 22388 OH2 TIP3 5360 31.954 -39.640 -17.142 1.00 0.00 WAT +ATOM 22389 H1 TIP3 5360 32.489 -39.531 -16.330 1.00 0.00 WAT +ATOM 22390 H2 TIP3 5360 32.619 -39.852 -17.799 1.00 0.00 WAT +ATOM 22391 OH2 TIP3 5361 33.561 -39.128 -21.405 1.00 0.00 WAT +ATOM 22392 H1 TIP3 5361 34.103 -38.630 -22.051 1.00 0.00 WAT +ATOM 22393 H2 TIP3 5361 32.855 -38.476 -21.236 1.00 0.00 WAT +ATOM 22394 OH2 TIP3 5362 43.344 -35.624 -11.617 1.00 0.00 WAT +ATOM 22395 H1 TIP3 5362 43.803 -36.397 -12.022 1.00 0.00 WAT +ATOM 22396 H2 TIP3 5362 42.774 -36.092 -10.988 1.00 0.00 WAT +ATOM 22397 OH2 TIP3 5363 40.489 -39.479 -16.570 1.00 0.00 WAT +ATOM 22398 H1 TIP3 5363 39.552 -39.652 -16.380 1.00 0.00 WAT +ATOM 22399 H2 TIP3 5363 40.925 -39.803 -15.765 1.00 0.00 WAT +ATOM 22400 OH2 TIP3 5364 35.050 -38.296 -18.015 1.00 0.00 WAT +ATOM 22401 H1 TIP3 5364 34.289 -37.952 -18.519 1.00 0.00 WAT +ATOM 22402 H2 TIP3 5364 35.354 -39.064 -18.534 1.00 0.00 WAT +ATOM 22403 OH2 TIP3 5365 38.702 -37.863 -20.330 1.00 0.00 WAT +ATOM 22404 H1 TIP3 5365 39.663 -37.774 -20.375 1.00 0.00 WAT +ATOM 22405 H2 TIP3 5365 38.391 -37.335 -21.089 1.00 0.00 WAT +ATOM 22406 OH2 TIP3 5366 37.239 -36.744 -22.596 1.00 0.00 WAT +ATOM 22407 H1 TIP3 5366 36.629 -36.937 -23.326 1.00 0.00 WAT +ATOM 22408 H2 TIP3 5366 38.045 -36.524 -23.093 1.00 0.00 WAT +ATOM 22409 OH2 TIP3 5367 35.830 -31.968 -7.614 1.00 0.00 WAT +ATOM 22410 H1 TIP3 5367 36.494 -31.865 -6.900 1.00 0.00 WAT +ATOM 22411 H2 TIP3 5367 35.015 -31.958 -7.074 1.00 0.00 WAT +ATOM 22412 OH2 TIP3 5368 41.625 -36.972 -15.162 1.00 0.00 WAT +ATOM 22413 H1 TIP3 5368 42.067 -37.646 -15.702 1.00 0.00 WAT +ATOM 22414 H2 TIP3 5368 41.483 -37.474 -14.336 1.00 0.00 WAT +ATOM 22415 OH2 TIP3 5369 36.665 -40.657 -18.686 1.00 0.00 WAT +ATOM 22416 H1 TIP3 5369 36.257 -41.528 -18.537 1.00 0.00 WAT +ATOM 22417 H2 TIP3 5369 37.526 -40.896 -19.058 1.00 0.00 WAT +ATOM 22418 OH2 TIP3 5370 40.551 -38.432 -12.710 1.00 0.00 WAT +ATOM 22419 H1 TIP3 5370 39.746 -37.885 -12.686 1.00 0.00 WAT +ATOM 22420 H2 TIP3 5370 41.008 -38.154 -11.895 1.00 0.00 WAT +ATOM 22421 OH2 TIP3 5371 40.741 -32.288 -20.689 1.00 0.00 WAT +ATOM 22422 H1 TIP3 5371 39.941 -32.694 -21.083 1.00 0.00 WAT +ATOM 22423 H2 TIP3 5371 40.473 -32.140 -19.754 1.00 0.00 WAT +ATOM 22424 OH2 TIP3 5372 42.212 -32.149 -9.539 1.00 0.00 WAT +ATOM 22425 H1 TIP3 5372 41.859 -32.401 -8.677 1.00 0.00 WAT +ATOM 22426 H2 TIP3 5372 42.101 -31.182 -9.540 1.00 0.00 WAT +ATOM 22427 OH2 TIP3 5373 35.786 -32.721 -14.915 1.00 0.00 WAT +ATOM 22428 H1 TIP3 5373 36.338 -32.818 -15.707 1.00 0.00 WAT +ATOM 22429 H2 TIP3 5373 35.876 -33.585 -14.484 1.00 0.00 WAT +ATOM 22430 OH2 TIP3 5374 42.870 -30.829 -21.740 1.00 0.00 WAT +ATOM 22431 H1 TIP3 5374 42.598 -29.928 -21.468 1.00 0.00 WAT +ATOM 22432 H2 TIP3 5374 42.105 -31.348 -21.418 1.00 0.00 WAT +ATOM 22433 OH2 TIP3 5375 33.068 -34.465 -9.682 1.00 0.00 WAT +ATOM 22434 H1 TIP3 5375 33.195 -34.880 -8.806 1.00 0.00 WAT +ATOM 22435 H2 TIP3 5375 32.422 -35.052 -10.107 1.00 0.00 WAT +ATOM 22436 OH2 TIP3 5376 40.019 -34.901 -7.652 1.00 0.00 WAT +ATOM 22437 H1 TIP3 5376 39.652 -35.248 -8.483 1.00 0.00 WAT +ATOM 22438 H2 TIP3 5376 40.950 -35.189 -7.719 1.00 0.00 WAT +ATOM 22439 OH2 TIP3 5377 38.160 -29.425 -17.690 1.00 0.00 WAT +ATOM 22440 H1 TIP3 5377 38.564 -28.547 -17.783 1.00 0.00 WAT +ATOM 22441 H2 TIP3 5377 37.230 -29.223 -17.858 1.00 0.00 WAT +ATOM 22442 OH2 TIP3 5378 34.162 -34.632 -23.045 1.00 0.00 WAT +ATOM 22443 H1 TIP3 5378 34.728 -33.936 -22.663 1.00 0.00 WAT +ATOM 22444 H2 TIP3 5378 33.282 -34.350 -22.731 1.00 0.00 WAT +ATOM 22445 OH2 TIP3 5379 39.956 -31.754 -18.026 1.00 0.00 WAT +ATOM 22446 H1 TIP3 5379 39.712 -30.820 -17.912 1.00 0.00 WAT +ATOM 22447 H2 TIP3 5379 39.180 -32.197 -17.649 1.00 0.00 WAT +ATOM 22448 OH2 TIP3 5380 40.207 -27.451 -11.669 1.00 0.00 WAT +ATOM 22449 H1 TIP3 5380 40.766 -26.720 -12.009 1.00 0.00 WAT +ATOM 22450 H2 TIP3 5380 40.848 -27.932 -11.130 1.00 0.00 WAT +ATOM 22451 OH2 TIP3 5381 38.597 -26.525 -18.466 1.00 0.00 WAT +ATOM 22452 H1 TIP3 5381 37.642 -26.377 -18.351 1.00 0.00 WAT +ATOM 22453 H2 TIP3 5381 38.963 -25.655 -18.215 1.00 0.00 WAT +ATOM 22454 OH2 TIP3 5382 34.377 -39.636 -10.117 1.00 0.00 WAT +ATOM 22455 H1 TIP3 5382 33.452 -39.442 -10.384 1.00 0.00 WAT +ATOM 22456 H2 TIP3 5382 34.227 -40.472 -9.622 1.00 0.00 WAT +ATOM 22457 OH2 TIP3 5383 34.197 -28.015 -11.624 1.00 0.00 WAT +ATOM 22458 H1 TIP3 5383 34.401 -28.944 -11.461 1.00 0.00 WAT +ATOM 22459 H2 TIP3 5383 34.371 -27.630 -10.759 1.00 0.00 WAT +ATOM 22460 OH2 TIP3 5384 39.934 -29.327 -24.629 1.00 0.00 WAT +ATOM 22461 H1 TIP3 5384 40.289 -30.089 -25.125 1.00 0.00 WAT +ATOM 22462 H2 TIP3 5384 39.573 -29.767 -23.841 1.00 0.00 WAT +ATOM 22463 OH2 TIP3 5385 38.868 -29.905 -21.877 1.00 0.00 WAT +ATOM 22464 H1 TIP3 5385 39.341 -30.373 -21.180 1.00 0.00 WAT +ATOM 22465 H2 TIP3 5385 38.973 -28.971 -21.599 1.00 0.00 WAT +ATOM 22466 OH2 TIP3 5386 35.671 -32.416 -21.510 1.00 0.00 WAT +ATOM 22467 H1 TIP3 5386 34.929 -32.028 -21.002 1.00 0.00 WAT +ATOM 22468 H2 TIP3 5386 36.126 -31.609 -21.803 1.00 0.00 WAT +ATOM 22469 OH2 TIP3 5387 43.301 -39.284 -10.912 1.00 0.00 WAT +ATOM 22470 H1 TIP3 5387 44.012 -39.941 -11.027 1.00 0.00 WAT +ATOM 22471 H2 TIP3 5387 42.729 -39.634 -11.608 1.00 0.00 WAT +ATOM 22472 OH2 TIP3 5388 41.671 -28.258 -21.365 1.00 0.00 WAT +ATOM 22473 H1 TIP3 5388 40.887 -27.735 -21.124 1.00 0.00 WAT +ATOM 22474 H2 TIP3 5388 42.113 -27.664 -21.979 1.00 0.00 WAT +ATOM 22475 OH2 TIP3 5389 41.407 -39.079 -19.119 1.00 0.00 WAT +ATOM 22476 H1 TIP3 5389 41.991 -38.289 -19.214 1.00 0.00 WAT +ATOM 22477 H2 TIP3 5389 41.094 -38.972 -18.195 1.00 0.00 WAT +ATOM 22478 OH2 TIP3 5390 41.530 -37.559 -10.027 1.00 0.00 WAT +ATOM 22479 H1 TIP3 5390 41.796 -37.105 -9.216 1.00 0.00 WAT +ATOM 22480 H2 TIP3 5390 42.216 -38.260 -10.105 1.00 0.00 WAT +ATOM 22481 OH2 TIP3 5391 42.046 -41.725 -17.994 1.00 0.00 WAT +ATOM 22482 H1 TIP3 5391 41.734 -40.836 -17.742 1.00 0.00 WAT +ATOM 22483 H2 TIP3 5391 42.718 -41.523 -18.670 1.00 0.00 WAT +ATOM 22484 OH2 TIP3 5392 38.933 -27.177 -21.300 1.00 0.00 WAT +ATOM 22485 H1 TIP3 5392 38.910 -26.356 -21.836 1.00 0.00 WAT +ATOM 22486 H2 TIP3 5392 38.797 -26.830 -20.397 1.00 0.00 WAT +ATOM 22487 OH2 TIP3 5393 37.663 -40.513 -21.768 1.00 0.00 WAT +ATOM 22488 H1 TIP3 5393 37.667 -39.684 -21.262 1.00 0.00 WAT +ATOM 22489 H2 TIP3 5393 38.566 -40.835 -21.571 1.00 0.00 WAT +ATOM 22490 OH2 TIP3 5394 36.106 -29.616 -22.754 1.00 0.00 WAT +ATOM 22491 H1 TIP3 5394 36.815 -29.090 -22.348 1.00 0.00 WAT +ATOM 22492 H2 TIP3 5394 36.622 -30.101 -23.416 1.00 0.00 WAT +ATOM 22493 OH2 TIP3 5395 34.215 -37.455 -23.612 1.00 0.00 WAT +ATOM 22494 H1 TIP3 5395 34.361 -36.510 -23.414 1.00 0.00 WAT +ATOM 22495 H2 TIP3 5395 33.374 -37.424 -24.086 1.00 0.00 WAT +ATOM 22496 OH2 TIP3 5396 34.554 -42.407 -14.633 1.00 0.00 WAT +ATOM 22497 H1 TIP3 5396 34.870 -42.493 -15.540 1.00 0.00 WAT +ATOM 22498 H2 TIP3 5396 34.507 -43.342 -14.380 1.00 0.00 WAT +ATOM 22499 OH2 TIP3 5397 34.037 -28.986 -18.679 1.00 0.00 WAT +ATOM 22500 H1 TIP3 5397 33.393 -28.447 -18.196 1.00 0.00 WAT +ATOM 22501 H2 TIP3 5397 34.433 -28.341 -19.286 1.00 0.00 WAT +ATOM 22502 OH2 TIP3 5398 33.509 -25.978 -7.441 1.00 0.00 WAT +ATOM 22503 H1 TIP3 5398 34.033 -26.277 -6.675 1.00 0.00 WAT +ATOM 22504 H2 TIP3 5398 33.073 -26.806 -7.725 1.00 0.00 WAT +ATOM 22505 OH2 TIP3 5399 38.184 -26.909 -5.643 1.00 0.00 WAT +ATOM 22506 H1 TIP3 5399 38.827 -27.607 -5.445 1.00 0.00 WAT +ATOM 22507 H2 TIP3 5399 37.901 -27.169 -6.535 1.00 0.00 WAT +ATOM 22508 OH2 TIP3 5400 42.307 -27.680 -24.320 1.00 0.00 WAT +ATOM 22509 H1 TIP3 5400 41.472 -28.192 -24.300 1.00 0.00 WAT +ATOM 22510 H2 TIP3 5400 42.935 -28.411 -24.454 1.00 0.00 WAT +ATOM 22511 OH2 TIP3 5401 33.414 -32.354 -6.311 1.00 0.00 WAT +ATOM 22512 H1 TIP3 5401 33.497 -33.255 -6.662 1.00 0.00 WAT +ATOM 22513 H2 TIP3 5401 32.637 -32.039 -6.813 1.00 0.00 WAT +ATOM 22514 OH2 TIP3 5402 37.623 -31.930 -24.297 1.00 0.00 WAT +ATOM 22515 H1 TIP3 5402 37.804 -32.513 -23.542 1.00 0.00 WAT +ATOM 22516 H2 TIP3 5402 38.481 -31.946 -24.758 1.00 0.00 WAT +ATOM 22517 OH2 TIP3 5403 40.120 -32.132 -7.012 1.00 0.00 WAT +ATOM 22518 H1 TIP3 5403 39.751 -31.815 -7.853 1.00 0.00 WAT +ATOM 22519 H2 TIP3 5403 40.149 -33.105 -7.134 1.00 0.00 WAT +ATOM 22520 OH2 TIP3 5404 42.607 -30.602 -24.745 1.00 0.00 WAT +ATOM 22521 H1 TIP3 5404 42.784 -30.490 -23.794 1.00 0.00 WAT +ATOM 22522 H2 TIP3 5404 42.437 -31.557 -24.793 1.00 0.00 WAT +ATOM 22523 OH2 TIP3 5405 34.277 -35.229 -7.143 1.00 0.00 WAT +ATOM 22524 H1 TIP3 5405 35.014 -35.862 -7.115 1.00 0.00 WAT +ATOM 22525 H2 TIP3 5405 34.214 -34.989 -6.205 1.00 0.00 WAT +ATOM 22526 OH2 TIP3 5406 38.711 -33.870 -21.971 1.00 0.00 WAT +ATOM 22527 H1 TIP3 5406 38.078 -34.366 -21.433 1.00 0.00 WAT +ATOM 22528 H2 TIP3 5406 39.022 -34.555 -22.594 1.00 0.00 WAT +ATOM 22529 OH2 TIP3 5407 37.982 -36.052 -9.674 1.00 0.00 WAT +ATOM 22530 H1 TIP3 5407 37.379 -35.309 -9.486 1.00 0.00 WAT +ATOM 22531 H2 TIP3 5407 38.518 -35.691 -10.397 1.00 0.00 WAT +ATOM 22532 OH2 TIP3 5408 39.784 -35.856 -23.673 1.00 0.00 WAT +ATOM 22533 H1 TIP3 5408 39.689 -35.779 -24.641 1.00 0.00 WAT +ATOM 22534 H2 TIP3 5408 40.740 -35.724 -23.567 1.00 0.00 WAT +ATOM 22535 OH2 TIP3 5409 42.841 -33.594 -6.007 1.00 0.00 WAT +ATOM 22536 H1 TIP3 5409 43.583 -33.905 -6.533 1.00 0.00 WAT +ATOM 22537 H2 TIP3 5409 42.668 -34.386 -5.468 1.00 0.00 WAT +ATOM 22538 OH2 TIP3 5410 38.545 -38.779 -8.560 1.00 0.00 WAT +ATOM 22539 H1 TIP3 5410 38.621 -39.428 -9.274 1.00 0.00 WAT +ATOM 22540 H2 TIP3 5410 38.376 -37.956 -9.054 1.00 0.00 WAT +ATOM 22541 OH2 TIP3 5411 38.917 -40.372 -11.217 1.00 0.00 WAT +ATOM 22542 H1 TIP3 5411 39.393 -39.772 -11.822 1.00 0.00 WAT +ATOM 22543 H2 TIP3 5411 37.984 -40.262 -11.496 1.00 0.00 WAT +ATOM 22544 OH2 TIP3 5412 40.626 -34.891 -10.778 1.00 0.00 WAT +ATOM 22545 H1 TIP3 5412 41.383 -34.907 -11.372 1.00 0.00 WAT +ATOM 22546 H2 TIP3 5412 40.244 -34.014 -10.949 1.00 0.00 WAT +ATOM 22547 OH2 TIP3 5413 36.751 -36.972 -6.767 1.00 0.00 WAT +ATOM 22548 H1 TIP3 5413 36.209 -37.779 -6.759 1.00 0.00 WAT +ATOM 22549 H2 TIP3 5413 37.552 -37.282 -7.217 1.00 0.00 WAT +ATOM 22550 OH2 TIP3 5414 39.410 -42.746 -9.976 1.00 0.00 WAT +ATOM 22551 H1 TIP3 5414 39.435 -41.832 -10.335 1.00 0.00 WAT +ATOM 22552 H2 TIP3 5414 38.499 -42.984 -10.189 1.00 0.00 WAT +ATOM 22553 OH2 TIP3 5415 41.035 -38.517 -7.035 1.00 0.00 WAT +ATOM 22554 H1 TIP3 5415 40.753 -38.891 -6.184 1.00 0.00 WAT +ATOM 22555 H2 TIP3 5415 40.264 -38.754 -7.585 1.00 0.00 WAT +ATOM 22556 OH2 TIP3 5416 35.483 -39.579 -6.912 1.00 0.00 WAT +ATOM 22557 H1 TIP3 5416 35.249 -40.229 -7.597 1.00 0.00 WAT +ATOM 22558 H2 TIP3 5416 35.102 -39.983 -6.116 1.00 0.00 WAT +ATOM 22559 OH2 TIP3 5417 40.539 -41.444 -5.889 1.00 0.00 WAT +ATOM 22560 H1 TIP3 5417 40.319 -42.297 -6.314 1.00 0.00 WAT +ATOM 22561 H2 TIP3 5417 39.673 -41.010 -5.832 1.00 0.00 WAT +ATOM 22562 OH2 TIP3 5418 39.565 -24.650 -22.604 1.00 0.00 WAT +ATOM 22563 H1 TIP3 5418 40.519 -24.548 -22.499 1.00 0.00 WAT +ATOM 22564 H2 TIP3 5418 39.421 -24.123 -23.404 1.00 0.00 WAT +ATOM 22565 OH2 TIP3 5419 33.336 -30.195 -23.082 1.00 0.00 WAT +ATOM 22566 H1 TIP3 5419 34.287 -30.009 -22.927 1.00 0.00 WAT +ATOM 22567 H2 TIP3 5419 33.371 -30.990 -23.650 1.00 0.00 WAT +ATOM 22568 OH2 TIP3 5420 32.368 -25.028 -18.321 1.00 0.00 WAT +ATOM 22569 H1 TIP3 5420 31.611 -25.380 -18.829 1.00 0.00 WAT +ATOM 22570 H2 TIP3 5420 32.455 -25.699 -17.614 1.00 0.00 WAT +ATOM 22571 OH2 TIP3 5421 32.860 -27.045 -16.410 1.00 0.00 WAT +ATOM 22572 H1 TIP3 5421 32.430 -27.850 -16.077 1.00 0.00 WAT +ATOM 22573 H2 TIP3 5421 32.796 -26.524 -15.588 1.00 0.00 WAT +ATOM 22574 OH2 TIP3 5422 32.797 -33.709 -13.948 1.00 0.00 WAT +ATOM 22575 H1 TIP3 5422 33.040 -33.550 -14.873 1.00 0.00 WAT +ATOM 22576 H2 TIP3 5422 33.677 -33.849 -13.548 1.00 0.00 WAT +ATOM 22577 OH2 TIP3 5423 32.663 -38.359 -7.439 1.00 0.00 WAT +ATOM 22578 H1 TIP3 5423 33.594 -38.600 -7.553 1.00 0.00 WAT +ATOM 22579 H2 TIP3 5423 32.227 -39.225 -7.439 1.00 0.00 WAT +ATOM 22580 OH2 TIP3 5424 33.447 -39.952 -14.784 1.00 0.00 WAT +ATOM 22581 H1 TIP3 5424 33.810 -40.851 -14.620 1.00 0.00 WAT +ATOM 22582 H2 TIP3 5424 34.135 -39.399 -14.372 1.00 0.00 WAT +ATOM 22583 OH2 TIP3 5425 32.045 -37.303 -13.736 1.00 0.00 WAT +ATOM 22584 H1 TIP3 5425 32.633 -37.239 -14.503 1.00 0.00 WAT +ATOM 22585 H2 TIP3 5425 32.347 -36.553 -13.204 1.00 0.00 WAT +ATOM 22586 OH2 TIP3 5426 32.393 -41.277 -19.723 1.00 0.00 WAT +ATOM 22587 H1 TIP3 5426 31.476 -40.957 -19.833 1.00 0.00 WAT +ATOM 22588 H2 TIP3 5426 32.902 -40.558 -20.150 1.00 0.00 WAT +ATOM 22589 OH2 TIP3 5427 32.257 -41.265 -11.109 1.00 0.00 WAT +ATOM 22590 H1 TIP3 5427 32.401 -42.197 -10.848 1.00 0.00 WAT +ATOM 22591 H2 TIP3 5427 32.122 -41.363 -12.060 1.00 0.00 WAT +ATOM 22592 OH2 TIP3 5428 34.567 -28.998 -6.795 1.00 0.00 WAT +ATOM 22593 H1 TIP3 5428 33.845 -28.982 -7.443 1.00 0.00 WAT +ATOM 22594 H2 TIP3 5428 34.084 -28.988 -5.959 1.00 0.00 WAT +ATOM 22595 OH2 TIP3 5429 37.420 -27.988 -11.131 1.00 0.00 WAT +ATOM 22596 H1 TIP3 5429 37.054 -27.157 -11.483 1.00 0.00 WAT +ATOM 22597 H2 TIP3 5429 38.368 -27.846 -11.319 1.00 0.00 WAT +ATOM 22598 OH2 TIP3 5430 42.204 -26.368 -8.248 1.00 0.00 WAT +ATOM 22599 H1 TIP3 5430 42.046 -26.716 -7.356 1.00 0.00 WAT +ATOM 22600 H2 TIP3 5430 43.148 -26.137 -8.176 1.00 0.00 WAT +ATOM 22601 OH2 TIP3 5431 34.842 -25.000 -10.749 1.00 0.00 WAT +ATOM 22602 H1 TIP3 5431 34.224 -24.511 -11.320 1.00 0.00 WAT +ATOM 22603 H2 TIP3 5431 34.335 -25.032 -9.931 1.00 0.00 WAT +ATOM 22604 OH2 TIP3 5432 37.323 -25.227 -12.210 1.00 0.00 WAT +ATOM 22605 H1 TIP3 5432 36.442 -25.096 -11.801 1.00 0.00 WAT +ATOM 22606 H2 TIP3 5432 37.293 -24.581 -12.936 1.00 0.00 WAT +ATOM 22607 OH2 TIP3 5433 41.979 -25.491 -12.694 1.00 0.00 WAT +ATOM 22608 H1 TIP3 5433 41.772 -25.000 -13.506 1.00 0.00 WAT +ATOM 22609 H2 TIP3 5433 42.565 -24.884 -12.231 1.00 0.00 WAT +ATOM 22610 OH2 TIP3 5434 34.478 -26.086 -13.763 1.00 0.00 WAT +ATOM 22611 H1 TIP3 5434 34.199 -26.634 -13.001 1.00 0.00 WAT +ATOM 22612 H2 TIP3 5434 35.044 -26.700 -14.255 1.00 0.00 WAT +ATOM 22613 OH2 TIP3 5435 36.355 -27.487 -15.467 1.00 0.00 WAT +ATOM 22614 H1 TIP3 5435 36.169 -28.388 -15.128 1.00 0.00 WAT +ATOM 22615 H2 TIP3 5435 37.223 -27.292 -15.069 1.00 0.00 WAT +ATOM 22616 OH2 TIP3 5436 39.145 -26.975 -14.545 1.00 0.00 WAT +ATOM 22617 H1 TIP3 5436 39.310 -27.908 -14.757 1.00 0.00 WAT +ATOM 22618 H2 TIP3 5436 39.183 -26.993 -13.576 1.00 0.00 WAT +ATOM 22619 OH2 TIP3 5437 42.468 -41.332 -15.195 1.00 0.00 WAT +ATOM 22620 H1 TIP3 5437 41.789 -42.006 -15.000 1.00 0.00 WAT +ATOM 22621 H2 TIP3 5437 42.916 -41.732 -15.949 1.00 0.00 WAT +ATOM 22622 OH2 TIP3 5438 34.828 -42.826 -17.940 1.00 0.00 WAT +ATOM 22623 H1 TIP3 5438 33.921 -43.135 -17.982 1.00 0.00 WAT +ATOM 22624 H2 TIP3 5438 35.299 -43.568 -17.544 1.00 0.00 WAT +ATOM 22625 OH2 TIP3 5439 33.326 -43.002 -21.696 1.00 0.00 WAT +ATOM 22626 H1 TIP3 5439 33.794 -42.480 -22.374 1.00 0.00 WAT +ATOM 22627 H2 TIP3 5439 32.899 -42.299 -21.169 1.00 0.00 WAT +ATOM 22628 OH2 TIP3 5440 39.350 -42.382 -17.836 1.00 0.00 WAT +ATOM 22629 H1 TIP3 5440 40.316 -42.258 -17.775 1.00 0.00 WAT +ATOM 22630 H2 TIP3 5440 39.166 -42.920 -17.057 1.00 0.00 WAT +ATOM 22631 OH2 TIP3 5441 33.839 -26.945 -20.709 1.00 0.00 WAT +ATOM 22632 H1 TIP3 5441 33.137 -27.063 -21.365 1.00 0.00 WAT +ATOM 22633 H2 TIP3 5441 33.743 -26.007 -20.504 1.00 0.00 WAT +ATOM 22634 OH2 TIP3 5442 35.273 -41.293 -23.237 1.00 0.00 WAT +ATOM 22635 H1 TIP3 5442 35.975 -41.612 -23.833 1.00 0.00 WAT +ATOM 22636 H2 TIP3 5442 35.799 -40.744 -22.626 1.00 0.00 WAT +ATOM 22637 OH2 TIP3 5443 40.441 -40.691 -21.013 1.00 0.00 WAT +ATOM 22638 H1 TIP3 5443 40.624 -41.551 -20.594 1.00 0.00 WAT +ATOM 22639 H2 TIP3 5443 40.646 -40.059 -20.286 1.00 0.00 WAT +ATOM 22640 OH2 TIP3 5444 42.636 -25.335 -22.532 1.00 0.00 WAT +ATOM 22641 H1 TIP3 5444 43.509 -24.945 -22.719 1.00 0.00 WAT +ATOM 22642 H2 TIP3 5444 42.489 -25.903 -23.309 1.00 0.00 WAT +ATOM 22643 OH2 TIP3 5445 34.407 -41.774 -8.465 1.00 0.00 WAT +ATOM 22644 H1 TIP3 5445 33.929 -42.554 -8.142 1.00 0.00 WAT +ATOM 22645 H2 TIP3 5445 35.280 -42.183 -8.573 1.00 0.00 WAT +ATOM 22646 OH2 TIP3 5446 37.348 -42.815 -5.803 1.00 0.00 WAT +ATOM 22647 H1 TIP3 5446 38.217 -43.075 -6.182 1.00 0.00 WAT +ATOM 22648 H2 TIP3 5446 37.109 -43.615 -5.317 1.00 0.00 WAT +ATOM 22649 OH2 TIP3 5447 35.244 -25.991 -23.837 1.00 0.00 WAT +ATOM 22650 H1 TIP3 5447 34.994 -25.785 -22.925 1.00 0.00 WAT +ATOM 22651 H2 TIP3 5447 36.004 -26.585 -23.712 1.00 0.00 WAT +ATOM 22652 OH2 TIP3 5448 -31.573 -14.844 -17.494 1.00 0.00 WAT +ATOM 22653 H1 TIP3 5448 -31.585 -13.885 -17.339 1.00 0.00 WAT +ATOM 22654 H2 TIP3 5448 -32.311 -14.937 -18.118 1.00 0.00 WAT +ATOM 22655 OH2 TIP3 5449 -32.613 -15.365 -14.337 1.00 0.00 WAT +ATOM 22656 H1 TIP3 5449 -32.708 -15.916 -13.546 1.00 0.00 WAT +ATOM 22657 H2 TIP3 5449 -32.951 -15.959 -15.025 1.00 0.00 WAT +ATOM 22658 OH2 TIP3 5450 -40.272 -15.797 -12.715 1.00 0.00 WAT +ATOM 22659 H1 TIP3 5450 -40.321 -16.519 -12.062 1.00 0.00 WAT +ATOM 22660 H2 TIP3 5450 -39.597 -15.227 -12.323 1.00 0.00 WAT +ATOM 22661 OH2 TIP3 5451 -29.081 -12.600 -15.989 1.00 0.00 WAT +ATOM 22662 H1 TIP3 5451 -29.386 -13.331 -15.439 1.00 0.00 WAT +ATOM 22663 H2 TIP3 5451 -28.762 -11.978 -15.318 1.00 0.00 WAT +ATOM 22664 OH2 TIP3 5452 -39.589 -11.186 -14.137 1.00 0.00 WAT +ATOM 22665 H1 TIP3 5452 -39.874 -12.075 -14.434 1.00 0.00 WAT +ATOM 22666 H2 TIP3 5452 -38.639 -11.336 -14.027 1.00 0.00 WAT +ATOM 22667 OH2 TIP3 5453 -41.671 -16.756 -19.249 1.00 0.00 WAT +ATOM 22668 H1 TIP3 5453 -42.195 -16.057 -18.825 1.00 0.00 WAT +ATOM 22669 H2 TIP3 5453 -42.259 -17.508 -19.078 1.00 0.00 WAT +ATOM 22670 OH2 TIP3 5454 -42.118 -15.229 -16.834 1.00 0.00 WAT +ATOM 22671 H1 TIP3 5454 -41.859 -16.035 -16.355 1.00 0.00 WAT +ATOM 22672 H2 TIP3 5454 -41.312 -14.990 -17.305 1.00 0.00 WAT +ATOM 22673 OH2 TIP3 5455 -32.003 -7.264 -15.468 1.00 0.00 WAT +ATOM 22674 H1 TIP3 5455 -31.420 -7.979 -15.786 1.00 0.00 WAT +ATOM 22675 H2 TIP3 5455 -32.289 -7.601 -14.609 1.00 0.00 WAT +ATOM 22676 OH2 TIP3 5456 -34.241 -12.880 -13.756 1.00 0.00 WAT +ATOM 22677 H1 TIP3 5456 -33.923 -13.556 -14.378 1.00 0.00 WAT +ATOM 22678 H2 TIP3 5456 -33.416 -12.703 -13.277 1.00 0.00 WAT +ATOM 22679 OH2 TIP3 5457 -25.784 -21.090 -13.294 1.00 0.00 WAT +ATOM 22680 H1 TIP3 5457 -25.424 -20.670 -12.494 1.00 0.00 WAT +ATOM 22681 H2 TIP3 5457 -25.044 -20.934 -13.910 1.00 0.00 WAT +ATOM 22682 OH2 TIP3 5458 -30.917 -18.480 -13.272 1.00 0.00 WAT +ATOM 22683 H1 TIP3 5458 -30.822 -19.448 -13.214 1.00 0.00 WAT +ATOM 22684 H2 TIP3 5458 -30.931 -18.340 -14.230 1.00 0.00 WAT +ATOM 22685 OH2 TIP3 5459 -37.985 -20.519 -16.197 1.00 0.00 WAT +ATOM 22686 H1 TIP3 5459 -37.856 -19.662 -16.651 1.00 0.00 WAT +ATOM 22687 H2 TIP3 5459 -38.346 -21.047 -16.937 1.00 0.00 WAT +ATOM 22688 OH2 TIP3 5460 -30.055 -20.206 -17.871 1.00 0.00 WAT +ATOM 22689 H1 TIP3 5460 -29.511 -20.826 -17.346 1.00 0.00 WAT +ATOM 22690 H2 TIP3 5460 -29.624 -20.199 -18.745 1.00 0.00 WAT +ATOM 22691 OH2 TIP3 5461 -41.383 -17.752 -15.676 1.00 0.00 WAT +ATOM 22692 H1 TIP3 5461 -40.802 -18.186 -15.031 1.00 0.00 WAT +ATOM 22693 H2 TIP3 5461 -41.213 -18.285 -16.471 1.00 0.00 WAT +ATOM 22694 OH2 TIP3 5462 -35.902 -16.421 -16.205 1.00 0.00 WAT +ATOM 22695 H1 TIP3 5462 -35.194 -16.980 -15.839 1.00 0.00 WAT +ATOM 22696 H2 TIP3 5462 -36.417 -17.069 -16.719 1.00 0.00 WAT +ATOM 22697 OH2 TIP3 5463 -24.739 -19.883 -10.708 1.00 0.00 WAT +ATOM 22698 H1 TIP3 5463 -25.436 -19.226 -10.865 1.00 0.00 WAT +ATOM 22699 H2 TIP3 5463 -24.875 -20.113 -9.782 1.00 0.00 WAT +ATOM 22700 OH2 TIP3 5464 -39.186 -21.699 -12.020 1.00 0.00 WAT +ATOM 22701 H1 TIP3 5464 -39.630 -21.257 -12.758 1.00 0.00 WAT +ATOM 22702 H2 TIP3 5464 -39.814 -21.524 -11.294 1.00 0.00 WAT +ATOM 22703 OH2 TIP3 5465 -31.684 -11.959 -18.640 1.00 0.00 WAT +ATOM 22704 H1 TIP3 5465 -32.010 -12.185 -19.517 1.00 0.00 WAT +ATOM 22705 H2 TIP3 5465 -32.149 -11.123 -18.455 1.00 0.00 WAT +ATOM 22706 OH2 TIP3 5466 -36.242 -13.840 -11.901 1.00 0.00 WAT +ATOM 22707 H1 TIP3 5466 -36.976 -13.244 -11.641 1.00 0.00 WAT +ATOM 22708 H2 TIP3 5466 -35.637 -13.233 -12.366 1.00 0.00 WAT +ATOM 22709 OH2 TIP3 5467 -28.277 -20.967 -15.796 1.00 0.00 WAT +ATOM 22710 H1 TIP3 5467 -28.628 -21.709 -15.280 1.00 0.00 WAT +ATOM 22711 H2 TIP3 5467 -27.642 -20.598 -15.162 1.00 0.00 WAT +ATOM 22712 OH2 TIP3 5468 -39.569 -19.663 -14.108 1.00 0.00 WAT +ATOM 22713 H1 TIP3 5468 -38.929 -19.075 -13.658 1.00 0.00 WAT +ATOM 22714 H2 TIP3 5468 -38.999 -20.027 -14.821 1.00 0.00 WAT +ATOM 22715 OH2 TIP3 5469 -38.258 -11.973 -11.133 1.00 0.00 WAT +ATOM 22716 H1 TIP3 5469 -38.288 -11.081 -11.524 1.00 0.00 WAT +ATOM 22717 H2 TIP3 5469 -39.162 -12.025 -10.773 1.00 0.00 WAT +ATOM 22718 OH2 TIP3 5470 -41.856 -12.411 -20.224 1.00 0.00 WAT +ATOM 22719 H1 TIP3 5470 -42.608 -12.193 -20.814 1.00 0.00 WAT +ATOM 22720 H2 TIP3 5470 -41.880 -11.668 -19.594 1.00 0.00 WAT +ATOM 22721 OH2 TIP3 5471 -28.499 -10.779 -13.553 1.00 0.00 WAT +ATOM 22722 H1 TIP3 5471 -29.453 -10.576 -13.569 1.00 0.00 WAT +ATOM 22723 H2 TIP3 5471 -28.114 -9.917 -13.790 1.00 0.00 WAT +ATOM 22724 OH2 TIP3 5472 -28.203 -21.949 -11.991 1.00 0.00 WAT +ATOM 22725 H1 TIP3 5472 -28.982 -21.579 -12.443 1.00 0.00 WAT +ATOM 22726 H2 TIP3 5472 -27.485 -21.751 -12.621 1.00 0.00 WAT +ATOM 22727 OH2 TIP3 5473 -35.058 -24.222 -14.958 1.00 0.00 WAT +ATOM 22728 H1 TIP3 5473 -35.261 -25.175 -15.000 1.00 0.00 WAT +ATOM 22729 H2 TIP3 5473 -35.882 -23.862 -14.567 1.00 0.00 WAT +ATOM 22730 OH2 TIP3 5474 -30.182 -8.893 -16.918 1.00 0.00 WAT +ATOM 22731 H1 TIP3 5474 -29.708 -9.676 -17.258 1.00 0.00 WAT +ATOM 22732 H2 TIP3 5474 -29.513 -8.193 -17.064 1.00 0.00 WAT +ATOM 22733 OH2 TIP3 5475 -28.723 -11.050 -18.370 1.00 0.00 WAT +ATOM 22734 H1 TIP3 5475 -29.304 -11.479 -19.013 1.00 0.00 WAT +ATOM 22735 H2 TIP3 5475 -28.804 -11.653 -17.607 1.00 0.00 WAT +ATOM 22736 OH2 TIP3 5476 -32.830 -15.303 -20.174 1.00 0.00 WAT +ATOM 22737 H1 TIP3 5476 -33.501 -14.691 -20.534 1.00 0.00 WAT +ATOM 22738 H2 TIP3 5476 -32.177 -15.332 -20.898 1.00 0.00 WAT +ATOM 22739 OH2 TIP3 5477 -32.612 -16.971 -23.135 1.00 0.00 WAT +ATOM 22740 H1 TIP3 5477 -31.909 -16.869 -22.465 1.00 0.00 WAT +ATOM 22741 H2 TIP3 5477 -32.282 -17.743 -23.613 1.00 0.00 WAT +ATOM 22742 OH2 TIP3 5478 -25.594 -15.984 -11.954 1.00 0.00 WAT +ATOM 22743 H1 TIP3 5478 -26.212 -15.246 -11.788 1.00 0.00 WAT +ATOM 22744 H2 TIP3 5478 -25.039 -15.613 -12.667 1.00 0.00 WAT +ATOM 22745 OH2 TIP3 5479 -29.217 -15.470 -18.790 1.00 0.00 WAT +ATOM 22746 H1 TIP3 5479 -29.929 -15.001 -18.306 1.00 0.00 WAT +ATOM 22747 H2 TIP3 5479 -29.575 -16.358 -18.799 1.00 0.00 WAT +ATOM 22748 OH2 TIP3 5480 -29.563 -16.787 -10.255 1.00 0.00 WAT +ATOM 22749 H1 TIP3 5480 -29.544 -16.044 -9.632 1.00 0.00 WAT +ATOM 22750 H2 TIP3 5480 -30.239 -16.477 -10.885 1.00 0.00 WAT +ATOM 22751 OH2 TIP3 5481 -37.824 -14.508 -17.299 1.00 0.00 WAT +ATOM 22752 H1 TIP3 5481 -38.166 -14.910 -18.121 1.00 0.00 WAT +ATOM 22753 H2 TIP3 5481 -37.185 -15.176 -16.997 1.00 0.00 WAT +ATOM 22754 OH2 TIP3 5482 -36.501 -11.146 -14.541 1.00 0.00 WAT +ATOM 22755 H1 TIP3 5482 -36.602 -11.463 -15.450 1.00 0.00 WAT +ATOM 22756 H2 TIP3 5482 -35.682 -11.594 -14.258 1.00 0.00 WAT +ATOM 22757 OH2 TIP3 5483 -37.250 -15.724 -13.804 1.00 0.00 WAT +ATOM 22758 H1 TIP3 5483 -36.705 -15.666 -14.613 1.00 0.00 WAT +ATOM 22759 H2 TIP3 5483 -36.872 -15.027 -13.238 1.00 0.00 WAT +ATOM 22760 OH2 TIP3 5484 -31.293 -10.174 -13.238 1.00 0.00 WAT +ATOM 22761 H1 TIP3 5484 -31.340 -9.496 -12.546 1.00 0.00 WAT +ATOM 22762 H2 TIP3 5484 -31.517 -11.001 -12.778 1.00 0.00 WAT +ATOM 22763 OH2 TIP3 5485 -36.395 -11.395 -8.956 1.00 0.00 WAT +ATOM 22764 H1 TIP3 5485 -36.897 -10.666 -8.545 1.00 0.00 WAT +ATOM 22765 H2 TIP3 5485 -37.002 -11.647 -9.679 1.00 0.00 WAT +ATOM 22766 OH2 TIP3 5486 -30.437 -16.094 -21.469 1.00 0.00 WAT +ATOM 22767 H1 TIP3 5486 -29.789 -15.886 -20.781 1.00 0.00 WAT +ATOM 22768 H2 TIP3 5486 -29.965 -15.741 -22.256 1.00 0.00 WAT +ATOM 22769 OH2 TIP3 5487 -39.554 -15.048 -9.820 1.00 0.00 WAT +ATOM 22770 H1 TIP3 5487 -39.486 -14.472 -9.040 1.00 0.00 WAT +ATOM 22771 H2 TIP3 5487 -40.522 -15.085 -9.945 1.00 0.00 WAT +ATOM 22772 OH2 TIP3 5488 -33.023 -9.252 -18.045 1.00 0.00 WAT +ATOM 22773 H1 TIP3 5488 -32.576 -8.912 -17.262 1.00 0.00 WAT +ATOM 22774 H2 TIP3 5488 -33.527 -8.484 -18.357 1.00 0.00 WAT +ATOM 22775 OH2 TIP3 5489 -38.333 -9.313 -8.164 1.00 0.00 WAT +ATOM 22776 H1 TIP3 5489 -38.406 -9.167 -9.125 1.00 0.00 WAT +ATOM 22777 H2 TIP3 5489 -39.262 -9.411 -7.890 1.00 0.00 WAT +ATOM 22778 OH2 TIP3 5490 -27.043 -24.082 -22.055 1.00 0.00 WAT +ATOM 22779 H1 TIP3 5490 -27.899 -23.950 -21.613 1.00 0.00 WAT +ATOM 22780 H2 TIP3 5490 -26.729 -23.165 -22.134 1.00 0.00 WAT +ATOM 22781 OH2 TIP3 5491 -38.905 -15.791 -19.791 1.00 0.00 WAT +ATOM 22782 H1 TIP3 5491 -39.160 -15.021 -20.330 1.00 0.00 WAT +ATOM 22783 H2 TIP3 5491 -39.712 -16.335 -19.852 1.00 0.00 WAT +ATOM 22784 OH2 TIP3 5492 -25.669 -9.944 -23.638 1.00 0.00 WAT +ATOM 22785 H1 TIP3 5492 -25.519 -9.017 -23.358 1.00 0.00 WAT +ATOM 22786 H2 TIP3 5492 -24.818 -10.355 -23.389 1.00 0.00 WAT +ATOM 22787 OH2 TIP3 5493 -42.638 -12.954 -11.238 1.00 0.00 WAT +ATOM 22788 H1 TIP3 5493 -42.858 -13.266 -12.133 1.00 0.00 WAT +ATOM 22789 H2 TIP3 5493 -43.079 -13.628 -10.690 1.00 0.00 WAT +ATOM 22790 OH2 TIP3 5494 -42.835 -10.204 -14.239 1.00 0.00 WAT +ATOM 22791 H1 TIP3 5494 -41.959 -10.574 -14.076 1.00 0.00 WAT +ATOM 22792 H2 TIP3 5494 -42.978 -9.645 -13.467 1.00 0.00 WAT +ATOM 22793 OH2 TIP3 5495 -33.670 -10.407 -9.561 1.00 0.00 WAT +ATOM 22794 H1 TIP3 5495 -33.537 -9.572 -9.073 1.00 0.00 WAT +ATOM 22795 H2 TIP3 5495 -34.589 -10.633 -9.339 1.00 0.00 WAT +ATOM 22796 OH2 TIP3 5496 -33.442 -6.520 -19.549 1.00 0.00 WAT +ATOM 22797 H1 TIP3 5496 -33.514 -6.449 -20.516 1.00 0.00 WAT +ATOM 22798 H2 TIP3 5496 -33.422 -5.592 -19.267 1.00 0.00 WAT +ATOM 22799 OH2 TIP3 5497 -39.575 -7.453 -17.826 1.00 0.00 WAT +ATOM 22800 H1 TIP3 5497 -39.570 -7.914 -16.963 1.00 0.00 WAT +ATOM 22801 H2 TIP3 5497 -40.441 -7.706 -18.180 1.00 0.00 WAT +ATOM 22802 OH2 TIP3 5498 -30.175 -7.082 -22.367 1.00 0.00 WAT +ATOM 22803 H1 TIP3 5498 -29.636 -7.756 -22.819 1.00 0.00 WAT +ATOM 22804 H2 TIP3 5498 -30.247 -7.463 -21.467 1.00 0.00 WAT +ATOM 22805 OH2 TIP3 5499 -30.792 -7.687 -19.588 1.00 0.00 WAT +ATOM 22806 H1 TIP3 5499 -31.744 -7.524 -19.457 1.00 0.00 WAT +ATOM 22807 H2 TIP3 5499 -30.649 -8.393 -18.935 1.00 0.00 WAT +ATOM 22808 OH2 TIP3 5500 -27.705 -18.203 -7.982 1.00 0.00 WAT +ATOM 22809 H1 TIP3 5500 -28.128 -17.844 -8.771 1.00 0.00 WAT +ATOM 22810 H2 TIP3 5500 -27.617 -19.146 -8.218 1.00 0.00 WAT +ATOM 22811 OH2 TIP3 5501 -40.736 -11.552 -9.731 1.00 0.00 WAT +ATOM 22812 H1 TIP3 5501 -40.431 -12.185 -9.064 1.00 0.00 WAT +ATOM 22813 H2 TIP3 5501 -41.480 -12.027 -10.167 1.00 0.00 WAT +ATOM 22814 OH2 TIP3 5502 -37.485 -23.086 -14.019 1.00 0.00 WAT +ATOM 22815 H1 TIP3 5502 -38.298 -23.178 -14.549 1.00 0.00 WAT +ATOM 22816 H2 TIP3 5502 -37.738 -22.346 -13.445 1.00 0.00 WAT +ATOM 22817 OH2 TIP3 5503 -33.111 -23.497 -10.375 1.00 0.00 WAT +ATOM 22818 H1 TIP3 5503 -32.568 -24.026 -9.756 1.00 0.00 WAT +ATOM 22819 H2 TIP3 5503 -34.004 -23.870 -10.254 1.00 0.00 WAT +ATOM 22820 OH2 TIP3 5504 -29.999 -19.715 -9.923 1.00 0.00 WAT +ATOM 22821 H1 TIP3 5504 -30.526 -19.876 -9.119 1.00 0.00 WAT +ATOM 22822 H2 TIP3 5504 -29.995 -18.745 -9.999 1.00 0.00 WAT +ATOM 22823 OH2 TIP3 5505 -29.080 -14.925 -23.608 1.00 0.00 WAT +ATOM 22824 H1 TIP3 5505 -29.222 -15.049 -24.556 1.00 0.00 WAT +ATOM 22825 H2 TIP3 5505 -28.156 -14.619 -23.586 1.00 0.00 WAT +ATOM 22826 OH2 TIP3 5506 -33.102 -20.967 -23.291 1.00 0.00 WAT +ATOM 22827 H1 TIP3 5506 -33.404 -21.041 -22.379 1.00 0.00 WAT +ATOM 22828 H2 TIP3 5506 -33.568 -21.703 -23.718 1.00 0.00 WAT +ATOM 22829 OH2 TIP3 5507 -37.594 -18.288 -12.616 1.00 0.00 WAT +ATOM 22830 H1 TIP3 5507 -38.226 -18.186 -11.886 1.00 0.00 WAT +ATOM 22831 H2 TIP3 5507 -37.549 -17.379 -12.986 1.00 0.00 WAT +ATOM 22832 OH2 TIP3 5508 -37.682 -18.233 -17.738 1.00 0.00 WAT +ATOM 22833 H1 TIP3 5508 -38.640 -18.248 -17.920 1.00 0.00 WAT +ATOM 22834 H2 TIP3 5508 -37.334 -18.390 -18.638 1.00 0.00 WAT +ATOM 22835 OH2 TIP3 5509 -31.688 -17.706 -19.148 1.00 0.00 WAT +ATOM 22836 H1 TIP3 5509 -32.234 -16.938 -19.412 1.00 0.00 WAT +ATOM 22837 H2 TIP3 5509 -31.193 -17.870 -19.969 1.00 0.00 WAT +ATOM 22838 OH2 TIP3 5510 -32.876 -17.414 -7.570 1.00 0.00 WAT +ATOM 22839 H1 TIP3 5510 -33.364 -18.202 -7.254 1.00 0.00 WAT +ATOM 22840 H2 TIP3 5510 -31.983 -17.577 -7.208 1.00 0.00 WAT +ATOM 22841 OH2 TIP3 5511 -30.648 -18.007 -16.327 1.00 0.00 WAT +ATOM 22842 H1 TIP3 5511 -31.248 -17.470 -16.879 1.00 0.00 WAT +ATOM 22843 H2 TIP3 5511 -30.806 -18.891 -16.721 1.00 0.00 WAT +ATOM 22844 OH2 TIP3 5512 -40.216 -18.133 -10.790 1.00 0.00 WAT +ATOM 22845 H1 TIP3 5512 -39.976 -17.766 -9.931 1.00 0.00 WAT +ATOM 22846 H2 TIP3 5512 -40.531 -19.019 -10.543 1.00 0.00 WAT +ATOM 22847 OH2 TIP3 5513 -36.854 -20.542 -24.190 1.00 0.00 WAT +ATOM 22848 H1 TIP3 5513 -37.227 -20.908 -23.364 1.00 0.00 WAT +ATOM 22849 H2 TIP3 5513 -37.640 -20.393 -24.727 1.00 0.00 WAT +ATOM 22850 OH2 TIP3 5514 -43.237 -20.574 -17.081 1.00 0.00 WAT +ATOM 22851 H1 TIP3 5514 -43.051 -20.834 -16.161 1.00 0.00 WAT +ATOM 22852 H2 TIP3 5514 -42.772 -21.244 -17.585 1.00 0.00 WAT +ATOM 22853 OH2 TIP3 5515 -42.125 -19.993 -21.259 1.00 0.00 WAT +ATOM 22854 H1 TIP3 5515 -41.500 -19.763 -21.977 1.00 0.00 WAT +ATOM 22855 H2 TIP3 5515 -42.960 -19.770 -21.685 1.00 0.00 WAT +ATOM 22856 OH2 TIP3 5516 -32.072 -16.575 -11.686 1.00 0.00 WAT +ATOM 22857 H1 TIP3 5516 -31.661 -17.294 -12.220 1.00 0.00 WAT +ATOM 22858 H2 TIP3 5516 -32.455 -17.085 -10.956 1.00 0.00 WAT +ATOM 22859 OH2 TIP3 5517 -34.880 -20.574 -16.677 1.00 0.00 WAT +ATOM 22860 H1 TIP3 5517 -35.832 -20.661 -16.497 1.00 0.00 WAT +ATOM 22861 H2 TIP3 5517 -34.494 -20.891 -15.842 1.00 0.00 WAT +ATOM 22862 OH2 TIP3 5518 -40.401 -19.411 -18.033 1.00 0.00 WAT +ATOM 22863 H1 TIP3 5518 -41.202 -19.279 -18.553 1.00 0.00 WAT +ATOM 22864 H2 TIP3 5518 -40.019 -20.207 -18.447 1.00 0.00 WAT +ATOM 22865 OH2 TIP3 5519 -36.728 -19.087 -20.363 1.00 0.00 WAT +ATOM 22866 H1 TIP3 5519 -35.761 -18.994 -20.287 1.00 0.00 WAT +ATOM 22867 H2 TIP3 5519 -36.970 -18.454 -21.063 1.00 0.00 WAT +ATOM 22868 OH2 TIP3 5520 -30.541 -21.436 -13.694 1.00 0.00 WAT +ATOM 22869 H1 TIP3 5520 -31.180 -21.471 -12.950 1.00 0.00 WAT +ATOM 22870 H2 TIP3 5520 -31.079 -21.836 -14.398 1.00 0.00 WAT +ATOM 22871 OH2 TIP3 5521 -38.234 -17.828 -22.590 1.00 0.00 WAT +ATOM 22872 H1 TIP3 5521 -38.831 -18.122 -23.292 1.00 0.00 WAT +ATOM 22873 H2 TIP3 5521 -37.427 -17.620 -23.092 1.00 0.00 WAT +ATOM 22874 OH2 TIP3 5522 -27.263 -5.673 -7.312 1.00 0.00 WAT +ATOM 22875 H1 TIP3 5522 -27.161 -5.092 -8.078 1.00 0.00 WAT +ATOM 22876 H2 TIP3 5522 -26.560 -5.333 -6.735 1.00 0.00 WAT +ATOM 22877 OH2 TIP3 5523 -39.465 -13.176 -7.517 1.00 0.00 WAT +ATOM 22878 H1 TIP3 5523 -38.944 -12.779 -6.815 1.00 0.00 WAT +ATOM 22879 H2 TIP3 5523 -40.373 -13.061 -7.157 1.00 0.00 WAT +ATOM 22880 OH2 TIP3 5524 -33.682 -18.112 -14.915 1.00 0.00 WAT +ATOM 22881 H1 TIP3 5524 -33.207 -18.774 -15.428 1.00 0.00 WAT +ATOM 22882 H2 TIP3 5524 -33.979 -18.647 -14.150 1.00 0.00 WAT +ATOM 22883 OH2 TIP3 5525 -38.724 -21.727 -18.644 1.00 0.00 WAT +ATOM 22884 H1 TIP3 5525 -39.139 -22.598 -18.608 1.00 0.00 WAT +ATOM 22885 H2 TIP3 5525 -37.912 -21.916 -19.136 1.00 0.00 WAT +ATOM 22886 OH2 TIP3 5526 -34.873 -19.545 -12.743 1.00 0.00 WAT +ATOM 22887 H1 TIP3 5526 -35.690 -19.027 -12.643 1.00 0.00 WAT +ATOM 22888 H2 TIP3 5526 -34.401 -19.377 -11.903 1.00 0.00 WAT +ATOM 22889 OH2 TIP3 5527 -34.724 -13.299 -20.729 1.00 0.00 WAT +ATOM 22890 H1 TIP3 5527 -35.499 -13.767 -21.108 1.00 0.00 WAT +ATOM 22891 H2 TIP3 5527 -34.960 -13.242 -19.776 1.00 0.00 WAT +ATOM 22892 OH2 TIP3 5528 -27.601 -13.951 -11.895 1.00 0.00 WAT +ATOM 22893 H1 TIP3 5528 -27.046 -13.352 -12.438 1.00 0.00 WAT +ATOM 22894 H2 TIP3 5528 -28.349 -14.118 -12.491 1.00 0.00 WAT +ATOM 22895 OH2 TIP3 5529 -33.036 -13.255 -9.466 1.00 0.00 WAT +ATOM 22896 H1 TIP3 5529 -33.360 -13.586 -8.618 1.00 0.00 WAT +ATOM 22897 H2 TIP3 5529 -33.310 -12.320 -9.446 1.00 0.00 WAT +ATOM 22898 OH2 TIP3 5530 -39.692 -13.882 -14.985 1.00 0.00 WAT +ATOM 22899 H1 TIP3 5530 -39.108 -13.991 -15.756 1.00 0.00 WAT +ATOM 22900 H2 TIP3 5530 -39.620 -14.746 -14.548 1.00 0.00 WAT +ATOM 22901 OH2 TIP3 5531 -32.370 -11.867 -21.795 1.00 0.00 WAT +ATOM 22902 H1 TIP3 5531 -32.658 -11.005 -21.434 1.00 0.00 WAT +ATOM 22903 H2 TIP3 5531 -33.121 -12.434 -21.542 1.00 0.00 WAT +ATOM 22904 OH2 TIP3 5532 -42.375 -15.398 -9.374 1.00 0.00 WAT +ATOM 22905 H1 TIP3 5532 -42.319 -16.063 -8.668 1.00 0.00 WAT +ATOM 22906 H2 TIP3 5532 -42.865 -15.891 -10.073 1.00 0.00 WAT +ATOM 22907 OH2 TIP3 5533 -35.402 -16.022 -7.674 1.00 0.00 WAT +ATOM 22908 H1 TIP3 5533 -35.765 -16.321 -8.528 1.00 0.00 WAT +ATOM 22909 H2 TIP3 5533 -34.495 -16.376 -7.735 1.00 0.00 WAT +ATOM 22910 OH2 TIP3 5534 -25.233 -18.614 -21.110 1.00 0.00 WAT +ATOM 22911 H1 TIP3 5534 -26.034 -18.999 -21.512 1.00 0.00 WAT +ATOM 22912 H2 TIP3 5534 -25.333 -17.687 -21.389 1.00 0.00 WAT +ATOM 22913 OH2 TIP3 5535 -25.240 -12.489 -8.596 1.00 0.00 WAT +ATOM 22914 H1 TIP3 5535 -25.959 -12.070 -9.081 1.00 0.00 WAT +ATOM 22915 H2 TIP3 5535 -24.489 -12.230 -9.161 1.00 0.00 WAT +ATOM 22916 OH2 TIP3 5536 -27.236 -10.018 -21.156 1.00 0.00 WAT +ATOM 22917 H1 TIP3 5536 -27.369 -10.740 -20.524 1.00 0.00 WAT +ATOM 22918 H2 TIP3 5536 -26.564 -10.363 -21.755 1.00 0.00 WAT +ATOM 22919 OH2 TIP3 5537 -29.723 -14.907 -13.774 1.00 0.00 WAT +ATOM 22920 H1 TIP3 5537 -30.661 -15.007 -14.025 1.00 0.00 WAT +ATOM 22921 H2 TIP3 5537 -29.347 -15.736 -14.090 1.00 0.00 WAT +ATOM 22922 OH2 TIP3 5538 -37.279 -10.529 -17.613 1.00 0.00 WAT +ATOM 22923 H1 TIP3 5538 -36.868 -9.669 -17.799 1.00 0.00 WAT +ATOM 22924 H2 TIP3 5538 -38.180 -10.378 -17.930 1.00 0.00 WAT +ATOM 22925 OH2 TIP3 5539 -41.585 -15.608 -22.923 1.00 0.00 WAT +ATOM 22926 H1 TIP3 5539 -40.821 -15.105 -22.576 1.00 0.00 WAT +ATOM 22927 H2 TIP3 5539 -42.283 -14.955 -22.785 1.00 0.00 WAT +ATOM 22928 OH2 TIP3 5540 -35.428 -12.875 -18.017 1.00 0.00 WAT +ATOM 22929 H1 TIP3 5540 -35.722 -11.957 -17.901 1.00 0.00 WAT +ATOM 22930 H2 TIP3 5540 -36.176 -13.362 -17.638 1.00 0.00 WAT +ATOM 22931 OH2 TIP3 5541 -35.245 -8.636 -11.653 1.00 0.00 WAT +ATOM 22932 H1 TIP3 5541 -34.724 -7.885 -11.984 1.00 0.00 WAT +ATOM 22933 H2 TIP3 5541 -34.597 -9.074 -11.080 1.00 0.00 WAT +ATOM 22934 OH2 TIP3 5542 -36.813 -7.675 -18.433 1.00 0.00 WAT +ATOM 22935 H1 TIP3 5542 -37.779 -7.554 -18.349 1.00 0.00 WAT +ATOM 22936 H2 TIP3 5542 -36.495 -6.774 -18.245 1.00 0.00 WAT +ATOM 22937 OH2 TIP3 5543 -31.631 -12.870 -12.009 1.00 0.00 WAT +ATOM 22938 H1 TIP3 5543 -32.128 -13.219 -11.245 1.00 0.00 WAT +ATOM 22939 H2 TIP3 5543 -31.038 -13.601 -12.235 1.00 0.00 WAT +ATOM 22940 OH2 TIP3 5544 -29.627 -11.629 -23.193 1.00 0.00 WAT +ATOM 22941 H1 TIP3 5544 -29.280 -12.052 -22.385 1.00 0.00 WAT +ATOM 22942 H2 TIP3 5544 -30.580 -11.728 -23.013 1.00 0.00 WAT +ATOM 22943 OH2 TIP3 5545 -29.090 -8.494 -9.612 1.00 0.00 WAT +ATOM 22944 H1 TIP3 5545 -29.776 -8.645 -10.289 1.00 0.00 WAT +ATOM 22945 H2 TIP3 5545 -28.719 -7.657 -9.936 1.00 0.00 WAT +ATOM 22946 OH2 TIP3 5546 -24.947 -7.287 -22.690 1.00 0.00 WAT +ATOM 22947 H1 TIP3 5546 -24.261 -6.624 -22.891 1.00 0.00 WAT +ATOM 22948 H2 TIP3 5546 -25.707 -6.678 -22.612 1.00 0.00 WAT +ATOM 22949 OH2 TIP3 5547 -41.018 -20.816 -9.980 1.00 0.00 WAT +ATOM 22950 H1 TIP3 5547 -41.864 -20.495 -10.346 1.00 0.00 WAT +ATOM 22951 H2 TIP3 5547 -41.232 -21.697 -9.626 1.00 0.00 WAT +ATOM 22952 OH2 TIP3 5548 -28.702 -13.020 -20.796 1.00 0.00 WAT +ATOM 22953 H1 TIP3 5548 -28.936 -13.725 -20.174 1.00 0.00 WAT +ATOM 22954 H2 TIP3 5548 -27.736 -12.988 -20.696 1.00 0.00 WAT +ATOM 22955 OH2 TIP3 5549 -41.298 -9.132 -11.591 1.00 0.00 WAT +ATOM 22956 H1 TIP3 5549 -41.090 -10.072 -11.517 1.00 0.00 WAT +ATOM 22957 H2 TIP3 5549 -40.927 -8.799 -10.766 1.00 0.00 WAT +ATOM 22958 OH2 TIP3 5550 -35.191 -10.541 -24.391 1.00 0.00 WAT +ATOM 22959 H1 TIP3 5550 -35.260 -11.176 -25.125 1.00 0.00 WAT +ATOM 22960 H2 TIP3 5550 -35.860 -10.891 -23.777 1.00 0.00 WAT +ATOM 22961 OH2 TIP3 5551 -36.604 -11.004 -21.860 1.00 0.00 WAT +ATOM 22962 H1 TIP3 5551 -36.105 -11.508 -21.205 1.00 0.00 WAT +ATOM 22963 H2 TIP3 5551 -36.451 -10.079 -21.581 1.00 0.00 WAT +ATOM 22964 OH2 TIP3 5552 -39.844 -13.602 -21.532 1.00 0.00 WAT +ATOM 22965 H1 TIP3 5552 -40.551 -13.171 -20.994 1.00 0.00 WAT +ATOM 22966 H2 TIP3 5552 -39.403 -12.806 -21.877 1.00 0.00 WAT +ATOM 22967 OH2 TIP3 5553 -32.131 -21.073 -11.491 1.00 0.00 WAT +ATOM 22968 H1 TIP3 5553 -31.475 -20.801 -10.828 1.00 0.00 WAT +ATOM 22969 H2 TIP3 5553 -32.578 -21.827 -11.057 1.00 0.00 WAT +ATOM 22970 OH2 TIP3 5554 -31.640 -21.496 -20.462 1.00 0.00 WAT +ATOM 22971 H1 TIP3 5554 -31.237 -20.974 -21.188 1.00 0.00 WAT +ATOM 22972 H2 TIP3 5554 -31.025 -21.208 -19.778 1.00 0.00 WAT +ATOM 22973 OH2 TIP3 5555 -33.639 -9.350 -21.289 1.00 0.00 WAT +ATOM 22974 H1 TIP3 5555 -34.493 -8.901 -21.150 1.00 0.00 WAT +ATOM 22975 H2 TIP3 5555 -33.290 -8.875 -22.053 1.00 0.00 WAT +ATOM 22976 OH2 TIP3 5556 -34.067 -19.566 -19.286 1.00 0.00 WAT +ATOM 22977 H1 TIP3 5556 -33.202 -19.129 -19.187 1.00 0.00 WAT +ATOM 22978 H2 TIP3 5556 -34.320 -19.750 -18.362 1.00 0.00 WAT +ATOM 22979 OH2 TIP3 5557 -33.677 -18.734 -10.137 1.00 0.00 WAT +ATOM 22980 H1 TIP3 5557 -33.623 -18.227 -9.311 1.00 0.00 WAT +ATOM 22981 H2 TIP3 5557 -33.144 -19.513 -9.924 1.00 0.00 WAT +ATOM 22982 OH2 TIP3 5558 -33.431 -22.611 -18.395 1.00 0.00 WAT +ATOM 22983 H1 TIP3 5558 -33.614 -21.935 -17.718 1.00 0.00 WAT +ATOM 22984 H2 TIP3 5558 -32.725 -22.180 -18.914 1.00 0.00 WAT +ATOM 22985 OH2 TIP3 5559 -36.386 -8.288 -21.318 1.00 0.00 WAT +ATOM 22986 H1 TIP3 5559 -36.547 -7.489 -21.862 1.00 0.00 WAT +ATOM 22987 H2 TIP3 5559 -36.647 -7.971 -20.434 1.00 0.00 WAT +ATOM 22988 OH2 TIP3 5560 -37.740 -21.622 -21.762 1.00 0.00 WAT +ATOM 22989 H1 TIP3 5560 -37.656 -20.807 -21.236 1.00 0.00 WAT +ATOM 22990 H2 TIP3 5560 -36.909 -22.082 -21.515 1.00 0.00 WAT +ATOM 22991 OH2 TIP3 5561 -27.408 -20.705 -9.262 1.00 0.00 WAT +ATOM 22992 H1 TIP3 5561 -28.368 -20.632 -9.415 1.00 0.00 WAT +ATOM 22993 H2 TIP3 5561 -27.138 -20.944 -10.161 1.00 0.00 WAT +ATOM 22994 OH2 TIP3 5562 -39.345 -10.775 -22.745 1.00 0.00 WAT +ATOM 22995 H1 TIP3 5562 -38.585 -10.335 -22.335 1.00 0.00 WAT +ATOM 22996 H2 TIP3 5562 -38.895 -11.244 -23.467 1.00 0.00 WAT +ATOM 22997 OH2 TIP3 5563 -41.193 -18.620 -23.517 1.00 0.00 WAT +ATOM 22998 H1 TIP3 5563 -41.036 -17.667 -23.423 1.00 0.00 WAT +ATOM 22999 H2 TIP3 5563 -41.906 -18.660 -24.161 1.00 0.00 WAT +ATOM 23000 OH2 TIP3 5564 -27.508 -8.022 -13.619 1.00 0.00 WAT +ATOM 23001 H1 TIP3 5564 -27.816 -7.281 -14.176 1.00 0.00 WAT +ATOM 23002 H2 TIP3 5564 -26.619 -7.733 -13.392 1.00 0.00 WAT +ATOM 23003 OH2 TIP3 5565 -40.249 -23.627 -14.888 1.00 0.00 WAT +ATOM 23004 H1 TIP3 5565 -40.578 -23.626 -15.806 1.00 0.00 WAT +ATOM 23005 H2 TIP3 5565 -40.705 -24.405 -14.512 1.00 0.00 WAT +ATOM 23006 OH2 TIP3 5566 -41.413 -9.831 -18.859 1.00 0.00 WAT +ATOM 23007 H1 TIP3 5566 -42.265 -9.395 -18.708 1.00 0.00 WAT +ATOM 23008 H2 TIP3 5566 -40.996 -9.271 -19.523 1.00 0.00 WAT +ATOM 23009 OH2 TIP3 5567 -42.134 -7.195 -7.374 1.00 0.00 WAT +ATOM 23010 H1 TIP3 5567 -41.506 -7.209 -6.626 1.00 0.00 WAT +ATOM 23011 H2 TIP3 5567 -42.190 -8.150 -7.526 1.00 0.00 WAT +ATOM 23012 OH2 TIP3 5568 -37.358 -8.096 -5.659 1.00 0.00 WAT +ATOM 23013 H1 TIP3 5568 -36.608 -8.661 -5.412 1.00 0.00 WAT +ATOM 23014 H2 TIP3 5568 -37.488 -8.348 -6.587 1.00 0.00 WAT +ATOM 23015 OH2 TIP3 5569 -33.099 -8.824 -24.178 1.00 0.00 WAT +ATOM 23016 H1 TIP3 5569 -33.929 -9.360 -24.179 1.00 0.00 WAT +ATOM 23017 H2 TIP3 5569 -32.485 -9.514 -24.463 1.00 0.00 WAT +ATOM 23018 OH2 TIP3 5570 -28.660 -8.939 -24.100 1.00 0.00 WAT +ATOM 23019 H1 TIP3 5570 -28.522 -9.707 -23.518 1.00 0.00 WAT +ATOM 23020 H2 TIP3 5570 -27.789 -8.843 -24.514 1.00 0.00 WAT +ATOM 23021 OH2 TIP3 5571 -41.967 -13.146 -6.778 1.00 0.00 WAT +ATOM 23022 H1 TIP3 5571 -41.908 -14.051 -7.123 1.00 0.00 WAT +ATOM 23023 H2 TIP3 5571 -42.845 -12.872 -7.090 1.00 0.00 WAT +ATOM 23024 OH2 TIP3 5572 -37.840 -13.083 -24.144 1.00 0.00 WAT +ATOM 23025 H1 TIP3 5572 -37.531 -13.746 -23.511 1.00 0.00 WAT +ATOM 23026 H2 TIP3 5572 -37.096 -12.990 -24.752 1.00 0.00 WAT +ATOM 23027 OH2 TIP3 5573 -35.453 -13.311 -6.906 1.00 0.00 WAT +ATOM 23028 H1 TIP3 5573 -35.617 -12.914 -7.780 1.00 0.00 WAT +ATOM 23029 H2 TIP3 5573 -35.281 -14.251 -7.132 1.00 0.00 WAT +ATOM 23030 OH2 TIP3 5574 -32.372 -11.729 -24.737 1.00 0.00 WAT +ATOM 23031 H1 TIP3 5574 -32.651 -11.720 -23.805 1.00 0.00 WAT +ATOM 23032 H2 TIP3 5574 -32.565 -12.668 -24.944 1.00 0.00 WAT +ATOM 23033 OH2 TIP3 5575 -29.718 -13.035 -9.315 1.00 0.00 WAT +ATOM 23034 H1 TIP3 5575 -29.114 -12.963 -10.072 1.00 0.00 WAT +ATOM 23035 H2 TIP3 5575 -30.564 -12.733 -9.677 1.00 0.00 WAT +ATOM 23036 OH2 TIP3 5576 -41.320 -16.402 -6.981 1.00 0.00 WAT +ATOM 23037 H1 TIP3 5576 -40.548 -16.987 -7.087 1.00 0.00 WAT +ATOM 23038 H2 TIP3 5576 -41.277 -16.195 -6.037 1.00 0.00 WAT +ATOM 23039 OH2 TIP3 5577 -36.688 -15.027 -21.914 1.00 0.00 WAT +ATOM 23040 H1 TIP3 5577 -37.352 -15.497 -21.384 1.00 0.00 WAT +ATOM 23041 H2 TIP3 5577 -36.428 -15.714 -22.558 1.00 0.00 WAT +ATOM 23042 OH2 TIP3 5578 -37.495 -17.207 -9.665 1.00 0.00 WAT +ATOM 23043 H1 TIP3 5578 -38.063 -16.422 -9.549 1.00 0.00 WAT +ATOM 23044 H2 TIP3 5578 -36.856 -16.890 -10.328 1.00 0.00 WAT +ATOM 23045 OH2 TIP3 5579 -35.756 -16.994 -23.713 1.00 0.00 WAT +ATOM 23046 H1 TIP3 5579 -35.791 -16.869 -24.679 1.00 0.00 WAT +ATOM 23047 H2 TIP3 5579 -34.796 -16.961 -23.549 1.00 0.00 WAT +ATOM 23048 OH2 TIP3 5580 -32.193 -14.501 -6.117 1.00 0.00 WAT +ATOM 23049 H1 TIP3 5580 -31.302 -14.668 -6.462 1.00 0.00 WAT +ATOM 23050 H2 TIP3 5580 -32.434 -15.383 -5.804 1.00 0.00 WAT +ATOM 23051 OH2 TIP3 5581 -26.363 -14.464 -24.353 1.00 0.00 WAT +ATOM 23052 H1 TIP3 5581 -26.372 -14.917 -25.208 1.00 0.00 WAT +ATOM 23053 H2 TIP3 5581 -26.312 -13.532 -24.617 1.00 0.00 WAT +ATOM 23054 OH2 TIP3 5582 -36.928 -19.939 -8.552 1.00 0.00 WAT +ATOM 23055 H1 TIP3 5582 -36.834 -20.598 -9.266 1.00 0.00 WAT +ATOM 23056 H2 TIP3 5582 -37.100 -19.129 -9.063 1.00 0.00 WAT +ATOM 23057 OH2 TIP3 5583 -36.565 -21.438 -11.113 1.00 0.00 WAT +ATOM 23058 H1 TIP3 5583 -36.054 -20.948 -11.781 1.00 0.00 WAT +ATOM 23059 H2 TIP3 5583 -37.475 -21.429 -11.478 1.00 0.00 WAT +ATOM 23060 OH2 TIP3 5584 -35.007 -16.008 -10.694 1.00 0.00 WAT +ATOM 23061 H1 TIP3 5584 -34.181 -16.103 -11.188 1.00 0.00 WAT +ATOM 23062 H2 TIP3 5584 -35.333 -15.147 -11.023 1.00 0.00 WAT +ATOM 23063 OH2 TIP3 5585 -30.416 -18.071 -5.916 1.00 0.00 WAT +ATOM 23064 H1 TIP3 5585 -30.220 -19.013 -5.797 1.00 0.00 WAT +ATOM 23065 H2 TIP3 5585 -29.515 -17.707 -5.928 1.00 0.00 WAT +ATOM 23066 OH2 TIP3 5586 -29.548 -15.242 -7.584 1.00 0.00 WAT +ATOM 23067 H1 TIP3 5586 -29.679 -14.462 -8.160 1.00 0.00 WAT +ATOM 23068 H2 TIP3 5586 -28.614 -15.446 -7.772 1.00 0.00 WAT +ATOM 23069 OH2 TIP3 5587 -38.756 -18.041 -6.765 1.00 0.00 WAT +ATOM 23070 H1 TIP3 5587 -39.288 -18.858 -6.775 1.00 0.00 WAT +ATOM 23071 H2 TIP3 5587 -37.966 -18.321 -7.254 1.00 0.00 WAT +ATOM 23072 OH2 TIP3 5588 -35.870 -24.134 -10.746 1.00 0.00 WAT +ATOM 23073 H1 TIP3 5588 -36.024 -23.183 -10.922 1.00 0.00 WAT +ATOM 23074 H2 TIP3 5588 -36.561 -24.548 -11.297 1.00 0.00 WAT +ATOM 23075 OH2 TIP3 5589 -34.599 -19.520 -6.953 1.00 0.00 WAT +ATOM 23076 H1 TIP3 5589 -34.902 -19.825 -6.081 1.00 0.00 WAT +ATOM 23077 H2 TIP3 5589 -35.388 -19.737 -7.492 1.00 0.00 WAT +ATOM 23078 OH2 TIP3 5590 -32.045 -20.503 -8.088 1.00 0.00 WAT +ATOM 23079 H1 TIP3 5590 -32.922 -20.508 -7.669 1.00 0.00 WAT +ATOM 23080 H2 TIP3 5590 -31.554 -21.141 -7.527 1.00 0.00 WAT +ATOM 23081 OH2 TIP3 5591 -30.291 -22.017 -6.407 1.00 0.00 WAT +ATOM 23082 H1 TIP3 5591 -30.341 -22.980 -6.237 1.00 0.00 WAT +ATOM 23083 H2 TIP3 5591 -30.367 -21.628 -5.516 1.00 0.00 WAT +ATOM 23084 OH2 TIP3 5592 -40.124 -20.591 -6.940 1.00 0.00 WAT +ATOM 23085 H1 TIP3 5592 -40.154 -21.311 -7.590 1.00 0.00 WAT +ATOM 23086 H2 TIP3 5592 -40.317 -21.059 -6.107 1.00 0.00 WAT +ATOM 23087 OH2 TIP3 5593 -36.002 -24.646 -7.940 1.00 0.00 WAT +ATOM 23088 H1 TIP3 5593 -35.410 -25.416 -7.885 1.00 0.00 WAT +ATOM 23089 H2 TIP3 5593 -36.025 -24.504 -8.908 1.00 0.00 WAT +ATOM 23090 OH2 TIP3 5594 -35.059 -22.768 -6.105 1.00 0.00 WAT +ATOM 23091 H1 TIP3 5594 -35.326 -23.381 -6.821 1.00 0.00 WAT +ATOM 23092 H2 TIP3 5594 -35.793 -22.143 -6.082 1.00 0.00 WAT +ATOM 23093 OH2 TIP3 5595 -35.988 -5.678 -22.573 1.00 0.00 WAT +ATOM 23094 H1 TIP3 5595 -35.026 -5.630 -22.497 1.00 0.00 WAT +ATOM 23095 H2 TIP3 5595 -36.124 -5.379 -23.480 1.00 0.00 WAT +ATOM 23096 OH2 TIP3 5596 -42.082 -10.872 -23.509 1.00 0.00 WAT +ATOM 23097 H1 TIP3 5596 -41.207 -10.824 -23.078 1.00 0.00 WAT +ATOM 23098 H2 TIP3 5596 -42.044 -11.728 -23.956 1.00 0.00 WAT +ATOM 23099 OH2 TIP3 5597 -42.737 -8.103 -16.410 1.00 0.00 WAT +ATOM 23100 H1 TIP3 5597 -42.786 -8.977 -15.986 1.00 0.00 WAT +ATOM 23101 H2 TIP3 5597 -42.434 -7.560 -15.669 1.00 0.00 WAT +ATOM 23102 OH2 TIP3 5598 -27.233 -11.564 -6.009 1.00 0.00 WAT +ATOM 23103 H1 TIP3 5598 -27.740 -11.849 -5.226 1.00 0.00 WAT +ATOM 23104 H2 TIP3 5598 -26.444 -11.152 -5.620 1.00 0.00 WAT +ATOM 23105 OH2 TIP3 5599 -25.834 -13.180 -20.385 1.00 0.00 WAT +ATOM 23106 H1 TIP3 5599 -24.948 -12.819 -20.178 1.00 0.00 WAT +ATOM 23107 H2 TIP3 5599 -25.978 -13.779 -19.633 1.00 0.00 WAT +ATOM 23108 OH2 TIP3 5600 -25.691 -15.399 -18.207 1.00 0.00 WAT +ATOM 23109 H1 TIP3 5600 -25.883 -16.176 -17.681 1.00 0.00 WAT +ATOM 23110 H2 TIP3 5600 -24.880 -15.078 -17.768 1.00 0.00 WAT +ATOM 23111 OH2 TIP3 5601 -25.672 -12.629 -13.486 1.00 0.00 WAT +ATOM 23112 H1 TIP3 5601 -24.991 -13.141 -13.951 1.00 0.00 WAT +ATOM 23113 H2 TIP3 5601 -25.469 -11.723 -13.772 1.00 0.00 WAT +ATOM 23114 OH2 TIP3 5602 -27.109 -10.275 -10.807 1.00 0.00 WAT +ATOM 23115 H1 TIP3 5602 -27.412 -9.369 -10.712 1.00 0.00 WAT +ATOM 23116 H2 TIP3 5602 -27.257 -10.440 -11.752 1.00 0.00 WAT +ATOM 23117 OH2 TIP3 5603 -25.073 -15.611 -21.850 1.00 0.00 WAT +ATOM 23118 H1 TIP3 5603 -25.670 -15.516 -22.612 1.00 0.00 WAT +ATOM 23119 H2 TIP3 5603 -25.296 -14.813 -21.340 1.00 0.00 WAT +ATOM 23120 OH2 TIP3 5604 -26.702 -17.970 -23.770 1.00 0.00 WAT +ATOM 23121 H1 TIP3 5604 -26.504 -17.551 -24.612 1.00 0.00 WAT +ATOM 23122 H2 TIP3 5604 -27.068 -18.826 -24.030 1.00 0.00 WAT +ATOM 23123 OH2 TIP3 5605 -42.557 -14.484 -13.682 1.00 0.00 WAT +ATOM 23124 H1 TIP3 5605 -42.261 -14.292 -14.588 1.00 0.00 WAT +ATOM 23125 H2 TIP3 5605 -41.755 -14.913 -13.311 1.00 0.00 WAT +ATOM 23126 OH2 TIP3 5606 -26.747 -14.873 -8.398 1.00 0.00 WAT +ATOM 23127 H1 TIP3 5606 -26.124 -15.623 -8.368 1.00 0.00 WAT +ATOM 23128 H2 TIP3 5606 -26.138 -14.123 -8.560 1.00 0.00 WAT +ATOM 23129 OH2 TIP3 5607 -25.308 -17.041 -7.386 1.00 0.00 WAT +ATOM 23130 H1 TIP3 5607 -26.070 -17.625 -7.569 1.00 0.00 WAT +ATOM 23131 H2 TIP3 5607 -24.556 -17.659 -7.329 1.00 0.00 WAT +ATOM 23132 OH2 TIP3 5608 -27.311 -20.993 -24.763 1.00 0.00 WAT +ATOM 23133 H1 TIP3 5608 -26.847 -21.190 -23.930 1.00 0.00 WAT +ATOM 23134 H2 TIP3 5608 -28.239 -21.178 -24.540 1.00 0.00 WAT +ATOM 23135 OH2 TIP3 5609 -27.399 -18.520 -14.433 1.00 0.00 WAT +ATOM 23136 H1 TIP3 5609 -26.440 -18.571 -14.210 1.00 0.00 WAT +ATOM 23137 H2 TIP3 5609 -27.755 -18.636 -13.535 1.00 0.00 WAT +ATOM 23138 OH2 TIP3 5610 -27.169 -18.238 -11.216 1.00 0.00 WAT +ATOM 23139 H1 TIP3 5610 -28.025 -17.842 -10.980 1.00 0.00 WAT +ATOM 23140 H2 TIP3 5610 -26.643 -17.456 -11.475 1.00 0.00 WAT +ATOM 23141 OH2 TIP3 5611 -42.835 -19.537 -7.524 1.00 0.00 WAT +ATOM 23142 H1 TIP3 5611 -41.960 -19.944 -7.624 1.00 0.00 WAT +ATOM 23143 H2 TIP3 5611 -43.431 -20.292 -7.419 1.00 0.00 WAT +ATOM 23144 OH2 TIP3 5612 -24.596 -24.058 -5.898 1.00 0.00 WAT +ATOM 23145 H1 TIP3 5612 -24.211 -24.713 -6.512 1.00 0.00 WAT +ATOM 23146 H2 TIP3 5612 -24.610 -23.257 -6.462 1.00 0.00 WAT +ATOM 23147 OH2 TIP3 5613 -26.967 -22.075 -19.280 1.00 0.00 WAT +ATOM 23148 H1 TIP3 5613 -27.094 -22.528 -18.434 1.00 0.00 WAT +ATOM 23149 H2 TIP3 5613 -27.808 -22.225 -19.738 1.00 0.00 WAT +ATOM 23150 OH2 TIP3 5614 -41.953 -21.016 -14.388 1.00 0.00 WAT +ATOM 23151 H1 TIP3 5614 -41.593 -21.910 -14.461 1.00 0.00 WAT +ATOM 23152 H2 TIP3 5614 -41.154 -20.472 -14.261 1.00 0.00 WAT +ATOM 23153 OH2 TIP3 5615 -43.315 -18.372 -13.577 1.00 0.00 WAT +ATOM 23154 H1 TIP3 5615 -42.952 -18.894 -14.306 1.00 0.00 WAT +ATOM 23155 H2 TIP3 5615 -43.170 -17.470 -13.891 1.00 0.00 WAT +ATOM 23156 OH2 TIP3 5616 -25.229 -21.973 -7.654 1.00 0.00 WAT +ATOM 23157 H1 TIP3 5616 -26.106 -21.553 -7.597 1.00 0.00 WAT +ATOM 23158 H2 TIP3 5616 -25.339 -22.497 -8.468 1.00 0.00 WAT +ATOM 23159 OH2 TIP3 5617 -25.169 -21.774 -22.890 1.00 0.00 WAT +ATOM 23160 H1 TIP3 5617 -24.850 -22.607 -23.273 1.00 0.00 WAT +ATOM 23161 H2 TIP3 5617 -24.345 -21.288 -22.733 1.00 0.00 WAT +ATOM 23162 OH2 TIP3 5618 -43.140 -22.268 -20.088 1.00 0.00 WAT +ATOM 23163 H1 TIP3 5618 -43.989 -21.982 -20.455 1.00 0.00 WAT +ATOM 23164 H2 TIP3 5618 -42.558 -21.539 -20.398 1.00 0.00 WAT +ATOM 23165 OH2 TIP3 5619 -28.284 -6.919 -17.506 1.00 0.00 WAT +ATOM 23166 H1 TIP3 5619 -27.838 -7.108 -18.349 1.00 0.00 WAT +ATOM 23167 H2 TIP3 5619 -27.650 -6.325 -17.086 1.00 0.00 WAT +ATOM 23168 OH2 TIP3 5620 -42.909 -23.300 -11.710 1.00 0.00 WAT +ATOM 23169 H1 TIP3 5620 -43.601 -23.386 -11.012 1.00 0.00 WAT +ATOM 23170 H2 TIP3 5620 -43.347 -22.819 -12.429 1.00 0.00 WAT +ATOM 23171 OH2 TIP3 5621 -41.158 -9.841 -6.925 1.00 0.00 WAT +ATOM 23172 H1 TIP3 5621 -41.681 -10.387 -7.519 1.00 0.00 WAT +ATOM 23173 H2 TIP3 5621 -41.449 -10.152 -6.040 1.00 0.00 WAT +ATOM 23174 OH2 TIP3 5622 -38.021 -9.083 -11.090 1.00 0.00 WAT +ATOM 23175 H1 TIP3 5622 -38.330 -8.260 -11.510 1.00 0.00 WAT +ATOM 23176 H2 TIP3 5622 -37.064 -9.016 -11.287 1.00 0.00 WAT +ATOM 23177 OH2 TIP3 5623 -33.512 -7.836 -8.155 1.00 0.00 WAT +ATOM 23178 H1 TIP3 5623 -33.365 -7.986 -7.202 1.00 0.00 WAT +ATOM 23179 H2 TIP3 5623 -32.720 -7.310 -8.395 1.00 0.00 WAT +ATOM 23180 OH2 TIP3 5624 -31.270 -6.370 -8.860 1.00 0.00 WAT +ATOM 23181 H1 TIP3 5624 -30.544 -6.940 -9.149 1.00 0.00 WAT +ATOM 23182 H2 TIP3 5624 -30.905 -6.002 -8.031 1.00 0.00 WAT +ATOM 23183 OH2 TIP3 5625 -26.420 -23.774 -9.675 1.00 0.00 WAT +ATOM 23184 H1 TIP3 5625 -27.212 -23.606 -10.215 1.00 0.00 WAT +ATOM 23185 H2 TIP3 5625 -26.156 -24.662 -10.000 1.00 0.00 WAT +ATOM 23186 OH2 TIP3 5626 -40.694 -6.072 -10.873 1.00 0.00 WAT +ATOM 23187 H1 TIP3 5626 -41.366 -5.578 -11.380 1.00 0.00 WAT +ATOM 23188 H2 TIP3 5626 -41.023 -5.960 -9.974 1.00 0.00 WAT +ATOM 23189 OH2 TIP3 5627 -38.171 -6.393 -12.232 1.00 0.00 WAT +ATOM 23190 H1 TIP3 5627 -39.043 -6.204 -11.830 1.00 0.00 WAT +ATOM 23191 H2 TIP3 5627 -38.146 -5.747 -12.961 1.00 0.00 WAT +ATOM 23192 OH2 TIP3 5628 -33.383 -6.417 -12.689 1.00 0.00 WAT +ATOM 23193 H1 TIP3 5628 -33.781 -5.988 -13.469 1.00 0.00 WAT +ATOM 23194 H2 TIP3 5628 -33.317 -5.664 -12.071 1.00 0.00 WAT +ATOM 23195 OH2 TIP3 5629 -30.985 -7.651 -11.758 1.00 0.00 WAT +ATOM 23196 H1 TIP3 5629 -31.827 -7.291 -12.099 1.00 0.00 WAT +ATOM 23197 H2 TIP3 5629 -30.422 -6.857 -11.774 1.00 0.00 WAT +ATOM 23198 OH2 TIP3 5630 -28.573 -5.978 -11.418 1.00 0.00 WAT +ATOM 23199 H1 TIP3 5630 -28.378 -5.025 -11.465 1.00 0.00 WAT +ATOM 23200 H2 TIP3 5630 -28.142 -6.287 -12.228 1.00 0.00 WAT +ATOM 23201 OH2 TIP3 5631 -41.256 -7.310 -13.886 1.00 0.00 WAT +ATOM 23202 H1 TIP3 5631 -41.332 -7.781 -13.032 1.00 0.00 WAT +ATOM 23203 H2 TIP3 5631 -40.508 -7.787 -14.297 1.00 0.00 WAT +ATOM 23204 OH2 TIP3 5632 -39.131 -8.590 -15.273 1.00 0.00 WAT +ATOM 23205 H1 TIP3 5632 -39.249 -9.537 -15.057 1.00 0.00 WAT +ATOM 23206 H2 TIP3 5632 -38.194 -8.442 -15.051 1.00 0.00 WAT +ATOM 23207 OH2 TIP3 5633 -36.268 -8.141 -14.535 1.00 0.00 WAT +ATOM 23208 H1 TIP3 5633 -36.108 -9.067 -14.780 1.00 0.00 WAT +ATOM 23209 H2 TIP3 5633 -36.257 -8.201 -13.569 1.00 0.00 WAT +ATOM 23210 OH2 TIP3 5634 -32.992 -22.260 -15.267 1.00 0.00 WAT +ATOM 23211 H1 TIP3 5634 -33.660 -22.953 -15.100 1.00 0.00 WAT +ATOM 23212 H2 TIP3 5634 -32.355 -22.735 -15.827 1.00 0.00 WAT +ATOM 23213 OH2 TIP3 5635 -28.036 -24.143 -14.731 1.00 0.00 WAT +ATOM 23214 H1 TIP3 5635 -27.225 -23.831 -15.169 1.00 0.00 WAT +ATOM 23215 H2 TIP3 5635 -28.732 -23.966 -15.379 1.00 0.00 WAT +ATOM 23216 OH2 TIP3 5636 -25.914 -23.149 -16.793 1.00 0.00 WAT +ATOM 23217 H1 TIP3 5636 -25.253 -23.579 -17.366 1.00 0.00 WAT +ATOM 23218 H2 TIP3 5636 -25.599 -22.225 -16.801 1.00 0.00 WAT +ATOM 23219 OH2 TIP3 5637 -41.077 -23.693 -17.683 1.00 0.00 WAT +ATOM 23220 H1 TIP3 5637 -41.802 -23.965 -18.260 1.00 0.00 WAT +ATOM 23221 H2 TIP3 5637 -40.450 -24.427 -17.806 1.00 0.00 WAT +ATOM 23222 OH2 TIP3 5638 -41.818 -24.086 -21.890 1.00 0.00 WAT +ATOM 23223 H1 TIP3 5638 -41.302 -23.418 -22.382 1.00 0.00 WAT +ATOM 23224 H2 TIP3 5638 -42.331 -23.520 -21.284 1.00 0.00 WAT +ATOM 23225 OH2 TIP3 5639 -36.154 -23.727 -17.782 1.00 0.00 WAT +ATOM 23226 H1 TIP3 5639 -35.248 -23.432 -17.968 1.00 0.00 WAT +ATOM 23227 H2 TIP3 5639 -36.126 -23.829 -16.823 1.00 0.00 WAT +ATOM 23228 OH2 TIP3 5640 -30.577 -23.654 -16.429 1.00 0.00 WAT +ATOM 23229 H1 TIP3 5640 -30.266 -23.851 -17.324 1.00 0.00 WAT +ATOM 23230 H2 TIP3 5640 -30.906 -24.528 -16.146 1.00 0.00 WAT +ATOM 23231 OH2 TIP3 5641 -29.483 -23.622 -20.282 1.00 0.00 WAT +ATOM 23232 H1 TIP3 5641 -30.231 -23.127 -20.649 1.00 0.00 WAT +ATOM 23233 H2 TIP3 5641 -29.820 -24.531 -20.257 1.00 0.00 WAT +ATOM 23234 OH2 TIP3 5642 -40.059 -22.205 -23.341 1.00 0.00 WAT +ATOM 23235 H1 TIP3 5642 -39.474 -22.779 -23.865 1.00 0.00 WAT +ATOM 23236 H2 TIP3 5642 -39.441 -21.898 -22.648 1.00 0.00 WAT +ATOM 23237 OH2 TIP3 5643 -35.070 -22.074 -20.741 1.00 0.00 WAT +ATOM 23238 H1 TIP3 5643 -34.630 -22.625 -20.078 1.00 0.00 WAT +ATOM 23239 H2 TIP3 5643 -34.770 -21.195 -20.464 1.00 0.00 WAT +ATOM 23240 OH2 TIP3 5644 -32.941 -6.277 -22.534 1.00 0.00 WAT +ATOM 23241 H1 TIP3 5644 -31.966 -6.272 -22.549 1.00 0.00 WAT +ATOM 23242 H2 TIP3 5644 -33.123 -6.937 -23.222 1.00 0.00 WAT +ATOM 23243 OH2 TIP3 5645 -26.424 -7.200 -19.905 1.00 0.00 WAT +ATOM 23244 H1 TIP3 5645 -26.653 -8.026 -20.368 1.00 0.00 WAT +ATOM 23245 H2 TIP3 5645 -26.458 -6.555 -20.633 1.00 0.00 WAT +ATOM 23246 OH2 TIP3 5646 -40.787 -23.300 -8.174 1.00 0.00 WAT +ATOM 23247 H1 TIP3 5646 -41.244 -24.056 -7.769 1.00 0.00 WAT +ATOM 23248 H2 TIP3 5646 -39.873 -23.453 -7.875 1.00 0.00 WAT +ATOM 23249 OH2 TIP3 5647 -38.432 -23.922 -6.411 1.00 0.00 WAT +ATOM 23250 H1 TIP3 5647 -37.614 -24.279 -6.815 1.00 0.00 WAT +ATOM 23251 H2 TIP3 5647 -38.771 -24.714 -5.958 1.00 0.00 WAT +ATOM 23252 OH2 TIP3 5648 -40.115 -7.084 -24.021 1.00 0.00 WAT +ATOM 23253 H1 TIP3 5648 -40.452 -6.925 -23.108 1.00 0.00 WAT +ATOM 23254 H2 TIP3 5648 -39.457 -7.775 -23.842 1.00 0.00 WAT +ATOM 23255 OH2 TIP3 5649 -30.301 -24.816 -6.234 1.00 0.00 WAT +ATOM 23256 H1 TIP3 5649 -30.262 -25.246 -5.359 1.00 0.00 WAT +ATOM 23257 H2 TIP3 5649 -29.368 -24.871 -6.515 1.00 0.00 WAT +ATOM 23258 OH2 TIP3 5650 -26.799 -8.614 -7.558 1.00 0.00 WAT +ATOM 23259 H1 TIP3 5650 -27.150 -8.584 -8.451 1.00 0.00 WAT +ATOM 23260 H2 TIP3 5650 -26.566 -7.680 -7.418 1.00 0.00 WAT +ATOM 23261 OH2 TIP3 5651 -12.571 -14.775 -17.549 1.00 0.00 WAT +ATOM 23262 H1 TIP3 5651 -12.746 -13.881 -17.216 1.00 0.00 WAT +ATOM 23263 H2 TIP3 5651 -13.458 -15.030 -17.839 1.00 0.00 WAT +ATOM 23264 OH2 TIP3 5652 -21.382 -15.877 -12.692 1.00 0.00 WAT +ATOM 23265 H1 TIP3 5652 -21.398 -16.592 -12.032 1.00 0.00 WAT +ATOM 23266 H2 TIP3 5652 -20.705 -15.295 -12.319 1.00 0.00 WAT +ATOM 23267 OH2 TIP3 5653 -20.487 -11.181 -14.115 1.00 0.00 WAT +ATOM 23268 H1 TIP3 5653 -20.834 -12.072 -14.306 1.00 0.00 WAT +ATOM 23269 H2 TIP3 5653 -19.621 -11.395 -13.750 1.00 0.00 WAT +ATOM 23270 OH2 TIP3 5654 -23.886 -17.804 -18.729 1.00 0.00 WAT +ATOM 23271 H1 TIP3 5654 -24.123 -16.875 -18.849 1.00 0.00 WAT +ATOM 23272 H2 TIP3 5654 -24.447 -18.246 -19.391 1.00 0.00 WAT +ATOM 23273 OH2 TIP3 5655 -23.114 -15.299 -17.068 1.00 0.00 WAT +ATOM 23274 H1 TIP3 5655 -22.928 -16.068 -16.496 1.00 0.00 WAT +ATOM 23275 H2 TIP3 5655 -22.227 -15.077 -17.381 1.00 0.00 WAT +ATOM 23276 OH2 TIP3 5656 -11.900 -18.491 -13.272 1.00 0.00 WAT +ATOM 23277 H1 TIP3 5656 -11.963 -19.456 -13.262 1.00 0.00 WAT +ATOM 23278 H2 TIP3 5656 -12.099 -18.260 -14.195 1.00 0.00 WAT +ATOM 23279 OH2 TIP3 5657 -19.106 -20.517 -16.193 1.00 0.00 WAT +ATOM 23280 H1 TIP3 5657 -19.002 -19.656 -16.642 1.00 0.00 WAT +ATOM 23281 H2 TIP3 5657 -19.482 -21.044 -16.923 1.00 0.00 WAT +ATOM 23282 OH2 TIP3 5658 -11.009 -20.665 -17.950 1.00 0.00 WAT +ATOM 23283 H1 TIP3 5658 -10.654 -20.585 -17.047 1.00 0.00 WAT +ATOM 23284 H2 TIP3 5658 -10.789 -19.798 -18.325 1.00 0.00 WAT +ATOM 23285 OH2 TIP3 5659 -22.457 -17.792 -15.662 1.00 0.00 WAT +ATOM 23286 H1 TIP3 5659 -21.812 -18.238 -15.088 1.00 0.00 WAT +ATOM 23287 H2 TIP3 5659 -22.345 -18.279 -16.496 1.00 0.00 WAT +ATOM 23288 OH2 TIP3 5660 -17.117 -16.410 -16.097 1.00 0.00 WAT +ATOM 23289 H1 TIP3 5660 -16.356 -16.899 -15.714 1.00 0.00 WAT +ATOM 23290 H2 TIP3 5660 -17.575 -17.115 -16.587 1.00 0.00 WAT +ATOM 23291 OH2 TIP3 5661 -20.466 -21.639 -11.815 1.00 0.00 WAT +ATOM 23292 H1 TIP3 5661 -20.815 -21.137 -12.564 1.00 0.00 WAT +ATOM 23293 H2 TIP3 5661 -21.153 -21.502 -11.149 1.00 0.00 WAT +ATOM 23294 OH2 TIP3 5662 -12.748 -11.868 -18.633 1.00 0.00 WAT +ATOM 23295 H1 TIP3 5662 -13.176 -12.208 -19.425 1.00 0.00 WAT +ATOM 23296 H2 TIP3 5662 -13.313 -11.104 -18.415 1.00 0.00 WAT +ATOM 23297 OH2 TIP3 5663 -9.290 -21.293 -15.672 1.00 0.00 WAT +ATOM 23298 H1 TIP3 5663 -9.863 -21.526 -14.916 1.00 0.00 WAT +ATOM 23299 H2 TIP3 5663 -8.816 -20.541 -15.273 1.00 0.00 WAT +ATOM 23300 OH2 TIP3 5664 -20.727 -19.677 -14.072 1.00 0.00 WAT +ATOM 23301 H1 TIP3 5664 -20.089 -19.103 -13.596 1.00 0.00 WAT +ATOM 23302 H2 TIP3 5664 -20.138 -20.060 -14.757 1.00 0.00 WAT +ATOM 23303 OH2 TIP3 5665 -23.133 -12.211 -20.251 1.00 0.00 WAT +ATOM 23304 H1 TIP3 5665 -23.291 -11.728 -21.079 1.00 0.00 WAT +ATOM 23305 H2 TIP3 5665 -22.898 -11.492 -19.622 1.00 0.00 WAT +ATOM 23306 OH2 TIP3 5666 -16.221 -24.191 -14.952 1.00 0.00 WAT +ATOM 23307 H1 TIP3 5666 -16.429 -25.145 -14.958 1.00 0.00 WAT +ATOM 23308 H2 TIP3 5666 -17.028 -23.822 -14.535 1.00 0.00 WAT +ATOM 23309 OH2 TIP3 5667 -11.608 -8.810 -17.097 1.00 0.00 WAT +ATOM 23310 H1 TIP3 5667 -10.942 -9.510 -17.130 1.00 0.00 WAT +ATOM 23311 H2 TIP3 5667 -11.058 -8.046 -16.852 1.00 0.00 WAT +ATOM 23312 OH2 TIP3 5668 -9.784 -11.108 -18.245 1.00 0.00 WAT +ATOM 23313 H1 TIP3 5668 -10.419 -11.395 -18.918 1.00 0.00 WAT +ATOM 23314 H2 TIP3 5668 -10.143 -11.503 -17.451 1.00 0.00 WAT +ATOM 23315 OH2 TIP3 5669 -14.118 -15.352 -20.165 1.00 0.00 WAT +ATOM 23316 H1 TIP3 5669 -14.775 -14.701 -20.483 1.00 0.00 WAT +ATOM 23317 H2 TIP3 5669 -13.407 -15.247 -20.815 1.00 0.00 WAT +ATOM 23318 OH2 TIP3 5670 -13.799 -17.108 -23.090 1.00 0.00 WAT +ATOM 23319 H1 TIP3 5670 -13.105 -16.785 -22.489 1.00 0.00 WAT +ATOM 23320 H2 TIP3 5670 -13.281 -17.666 -23.688 1.00 0.00 WAT +ATOM 23321 OH2 TIP3 5671 -10.444 -15.487 -19.090 1.00 0.00 WAT +ATOM 23322 H1 TIP3 5671 -11.187 -15.136 -18.542 1.00 0.00 WAT +ATOM 23323 H2 TIP3 5671 -10.140 -16.206 -18.526 1.00 0.00 WAT +ATOM 23324 OH2 TIP3 5672 -19.002 -14.542 -17.308 1.00 0.00 WAT +ATOM 23325 H1 TIP3 5672 -19.279 -14.997 -18.124 1.00 0.00 WAT +ATOM 23326 H2 TIP3 5672 -18.354 -15.163 -16.931 1.00 0.00 WAT +ATOM 23327 OH2 TIP3 5673 -18.344 -15.346 -13.696 1.00 0.00 WAT +ATOM 23328 H1 TIP3 5673 -17.775 -15.541 -14.465 1.00 0.00 WAT +ATOM 23329 H2 TIP3 5673 -17.705 -15.054 -13.036 1.00 0.00 WAT +ATOM 23330 OH2 TIP3 5674 -11.594 -15.898 -21.598 1.00 0.00 WAT +ATOM 23331 H1 TIP3 5674 -11.096 -15.629 -20.800 1.00 0.00 WAT +ATOM 23332 H2 TIP3 5674 -11.121 -15.374 -22.293 1.00 0.00 WAT +ATOM 23333 OH2 TIP3 5675 -20.570 -14.985 -9.888 1.00 0.00 WAT +ATOM 23334 H1 TIP3 5675 -20.525 -14.445 -9.068 1.00 0.00 WAT +ATOM 23335 H2 TIP3 5675 -21.534 -15.072 -9.973 1.00 0.00 WAT +ATOM 23336 OH2 TIP3 5676 -14.331 -9.256 -17.923 1.00 0.00 WAT +ATOM 23337 H1 TIP3 5676 -13.563 -8.974 -17.399 1.00 0.00 WAT +ATOM 23338 H2 TIP3 5676 -14.693 -8.424 -18.255 1.00 0.00 WAT +ATOM 23339 OH2 TIP3 5677 -8.310 -24.052 -21.862 1.00 0.00 WAT +ATOM 23340 H1 TIP3 5677 -9.246 -23.878 -21.702 1.00 0.00 WAT +ATOM 23341 H2 TIP3 5677 -7.945 -23.176 -22.072 1.00 0.00 WAT +ATOM 23342 OH2 TIP3 5678 -20.049 -15.788 -19.780 1.00 0.00 WAT +ATOM 23343 H1 TIP3 5678 -20.273 -15.021 -20.332 1.00 0.00 WAT +ATOM 23344 H2 TIP3 5678 -20.713 -16.435 -20.047 1.00 0.00 WAT +ATOM 23345 OH2 TIP3 5679 -6.770 -9.973 -23.499 1.00 0.00 WAT +ATOM 23346 H1 TIP3 5679 -6.626 -9.027 -23.294 1.00 0.00 WAT +ATOM 23347 H2 TIP3 5679 -5.878 -10.336 -23.348 1.00 0.00 WAT +ATOM 23348 OH2 TIP3 5680 -23.754 -12.948 -11.115 1.00 0.00 WAT +ATOM 23349 H1 TIP3 5680 -24.358 -13.060 -11.859 1.00 0.00 WAT +ATOM 23350 H2 TIP3 5680 -23.657 -13.842 -10.752 1.00 0.00 WAT +ATOM 23351 OH2 TIP3 5681 -23.926 -10.160 -14.047 1.00 0.00 WAT +ATOM 23352 H1 TIP3 5681 -23.012 -10.469 -13.963 1.00 0.00 WAT +ATOM 23353 H2 TIP3 5681 -23.981 -9.522 -13.330 1.00 0.00 WAT +ATOM 23354 OH2 TIP3 5682 -14.598 -6.224 -19.469 1.00 0.00 WAT +ATOM 23355 H1 TIP3 5682 -14.632 -6.353 -20.430 1.00 0.00 WAT +ATOM 23356 H2 TIP3 5682 -14.385 -5.288 -19.397 1.00 0.00 WAT +ATOM 23357 OH2 TIP3 5683 -20.754 -7.310 -17.963 1.00 0.00 WAT +ATOM 23358 H1 TIP3 5683 -20.743 -7.585 -17.029 1.00 0.00 WAT +ATOM 23359 H2 TIP3 5683 -21.681 -7.407 -18.198 1.00 0.00 WAT +ATOM 23360 OH2 TIP3 5684 -11.383 -7.115 -22.429 1.00 0.00 WAT +ATOM 23361 H1 TIP3 5684 -10.757 -7.754 -22.815 1.00 0.00 WAT +ATOM 23362 H2 TIP3 5684 -11.414 -7.419 -21.495 1.00 0.00 WAT +ATOM 23363 OH2 TIP3 5685 -11.956 -7.693 -19.663 1.00 0.00 WAT +ATOM 23364 H1 TIP3 5685 -12.848 -7.423 -19.399 1.00 0.00 WAT +ATOM 23365 H2 TIP3 5685 -11.715 -8.258 -18.904 1.00 0.00 WAT +ATOM 23366 OH2 TIP3 5686 -18.655 -22.990 -13.958 1.00 0.00 WAT +ATOM 23367 H1 TIP3 5686 -19.484 -23.085 -14.461 1.00 0.00 WAT +ATOM 23368 H2 TIP3 5686 -18.901 -22.277 -13.348 1.00 0.00 WAT +ATOM 23369 OH2 TIP3 5687 -14.162 -23.658 -10.423 1.00 0.00 WAT +ATOM 23370 H1 TIP3 5687 -13.658 -24.075 -9.689 1.00 0.00 WAT +ATOM 23371 H2 TIP3 5687 -15.087 -23.828 -10.152 1.00 0.00 WAT +ATOM 23372 OH2 TIP3 5688 -10.074 -14.795 -23.594 1.00 0.00 WAT +ATOM 23373 H1 TIP3 5688 -10.292 -14.941 -24.534 1.00 0.00 WAT +ATOM 23374 H2 TIP3 5688 -9.143 -14.517 -23.663 1.00 0.00 WAT +ATOM 23375 OH2 TIP3 5689 -14.427 -21.010 -23.083 1.00 0.00 WAT +ATOM 23376 H1 TIP3 5689 -14.973 -21.149 -22.292 1.00 0.00 WAT +ATOM 23377 H2 TIP3 5689 -14.831 -21.659 -23.684 1.00 0.00 WAT +ATOM 23378 OH2 TIP3 5690 -18.786 -18.255 -12.616 1.00 0.00 WAT +ATOM 23379 H1 TIP3 5690 -19.287 -18.220 -11.783 1.00 0.00 WAT +ATOM 23380 H2 TIP3 5690 -18.718 -17.314 -12.855 1.00 0.00 WAT +ATOM 23381 OH2 TIP3 5691 -18.811 -18.223 -17.743 1.00 0.00 WAT +ATOM 23382 H1 TIP3 5691 -19.772 -18.308 -17.892 1.00 0.00 WAT +ATOM 23383 H2 TIP3 5691 -18.475 -18.415 -18.639 1.00 0.00 WAT +ATOM 23384 OH2 TIP3 5692 -13.219 -17.685 -18.956 1.00 0.00 WAT +ATOM 23385 H1 TIP3 5692 -13.657 -16.861 -19.268 1.00 0.00 WAT +ATOM 23386 H2 TIP3 5692 -12.531 -17.790 -19.630 1.00 0.00 WAT +ATOM 23387 OH2 TIP3 5693 -12.201 -18.063 -16.119 1.00 0.00 WAT +ATOM 23388 H1 TIP3 5693 -12.487 -17.417 -16.787 1.00 0.00 WAT +ATOM 23389 H2 TIP3 5693 -12.166 -18.872 -16.628 1.00 0.00 WAT +ATOM 23390 OH2 TIP3 5694 -21.431 -18.313 -10.761 1.00 0.00 WAT +ATOM 23391 H1 TIP3 5694 -21.151 -17.969 -9.903 1.00 0.00 WAT +ATOM 23392 H2 TIP3 5694 -22.036 -19.022 -10.509 1.00 0.00 WAT +ATOM 23393 OH2 TIP3 5695 -18.003 -20.527 -24.225 1.00 0.00 WAT +ATOM 23394 H1 TIP3 5695 -18.358 -20.881 -23.383 1.00 0.00 WAT +ATOM 23395 H2 TIP3 5695 -18.806 -20.417 -24.748 1.00 0.00 WAT +ATOM 23396 OH2 TIP3 5696 -24.594 -20.608 -17.098 1.00 0.00 WAT +ATOM 23397 H1 TIP3 5696 -23.955 -20.701 -16.368 1.00 0.00 WAT +ATOM 23398 H2 TIP3 5696 -24.139 -21.012 -17.853 1.00 0.00 WAT +ATOM 23399 OH2 TIP3 5697 -22.990 -20.221 -21.425 1.00 0.00 WAT +ATOM 23400 H1 TIP3 5697 -22.462 -19.722 -22.078 1.00 0.00 WAT +ATOM 23401 H2 TIP3 5697 -23.729 -19.600 -21.262 1.00 0.00 WAT +ATOM 23402 OH2 TIP3 5698 -13.462 -16.693 -11.395 1.00 0.00 WAT +ATOM 23403 H1 TIP3 5698 -12.740 -16.948 -11.997 1.00 0.00 WAT +ATOM 23404 H2 TIP3 5698 -13.508 -17.451 -10.803 1.00 0.00 WAT +ATOM 23405 OH2 TIP3 5699 -16.023 -20.650 -16.685 1.00 0.00 WAT +ATOM 23406 H1 TIP3 5699 -16.978 -20.639 -16.489 1.00 0.00 WAT +ATOM 23407 H2 TIP3 5699 -15.661 -20.777 -15.793 1.00 0.00 WAT +ATOM 23408 OH2 TIP3 5700 -21.464 -19.374 -18.057 1.00 0.00 WAT +ATOM 23409 H1 TIP3 5700 -22.321 -19.167 -18.470 1.00 0.00 WAT +ATOM 23410 H2 TIP3 5700 -21.188 -20.190 -18.516 1.00 0.00 WAT +ATOM 23411 OH2 TIP3 5701 -17.816 -19.077 -20.371 1.00 0.00 WAT +ATOM 23412 H1 TIP3 5701 -16.860 -18.924 -20.345 1.00 0.00 WAT +ATOM 23413 H2 TIP3 5701 -18.129 -18.481 -21.075 1.00 0.00 WAT +ATOM 23414 OH2 TIP3 5702 -11.615 -21.669 -13.659 1.00 0.00 WAT +ATOM 23415 H1 TIP3 5702 -12.060 -21.502 -12.802 1.00 0.00 WAT +ATOM 23416 H2 TIP3 5702 -12.389 -21.889 -14.209 1.00 0.00 WAT +ATOM 23417 OH2 TIP3 5703 -19.393 -17.822 -22.570 1.00 0.00 WAT +ATOM 23418 H1 TIP3 5703 -19.995 -18.117 -23.270 1.00 0.00 WAT +ATOM 23419 H2 TIP3 5703 -18.589 -17.626 -23.081 1.00 0.00 WAT +ATOM 23420 OH2 TIP3 5704 -20.659 -13.475 -7.499 1.00 0.00 WAT +ATOM 23421 H1 TIP3 5704 -20.029 -13.287 -6.766 1.00 0.00 WAT +ATOM 23422 H2 TIP3 5704 -21.469 -13.128 -7.104 1.00 0.00 WAT +ATOM 23423 OH2 TIP3 5705 -15.060 -18.043 -14.910 1.00 0.00 WAT +ATOM 23424 H1 TIP3 5705 -14.294 -18.459 -15.315 1.00 0.00 WAT +ATOM 23425 H2 TIP3 5705 -15.090 -18.471 -14.034 1.00 0.00 WAT +ATOM 23426 OH2 TIP3 5706 -19.744 -21.674 -18.740 1.00 0.00 WAT +ATOM 23427 H1 TIP3 5706 -20.325 -22.437 -18.569 1.00 0.00 WAT +ATOM 23428 H2 TIP3 5706 -18.940 -22.098 -19.066 1.00 0.00 WAT +ATOM 23429 OH2 TIP3 5707 -15.916 -19.515 -12.563 1.00 0.00 WAT +ATOM 23430 H1 TIP3 5707 -16.726 -18.982 -12.514 1.00 0.00 WAT +ATOM 23431 H2 TIP3 5707 -15.448 -19.306 -11.746 1.00 0.00 WAT +ATOM 23432 OH2 TIP3 5708 -15.896 -13.262 -20.755 1.00 0.00 WAT +ATOM 23433 H1 TIP3 5708 -16.672 -13.749 -21.105 1.00 0.00 WAT +ATOM 23434 H2 TIP3 5708 -16.131 -13.159 -19.801 1.00 0.00 WAT +ATOM 23435 OH2 TIP3 5709 -11.757 -20.365 -22.968 1.00 0.00 WAT +ATOM 23436 H1 TIP3 5709 -12.740 -20.410 -22.990 1.00 0.00 WAT +ATOM 23437 H2 TIP3 5709 -11.580 -19.668 -22.308 1.00 0.00 WAT +ATOM 23438 OH2 TIP3 5710 -10.961 -18.593 -20.824 1.00 0.00 WAT +ATOM 23439 H1 TIP3 5710 -10.043 -18.667 -20.508 1.00 0.00 WAT +ATOM 23440 H2 TIP3 5710 -10.957 -17.723 -21.266 1.00 0.00 WAT +ATOM 23441 OH2 TIP3 5711 -20.883 -13.940 -14.989 1.00 0.00 WAT +ATOM 23442 H1 TIP3 5711 -20.223 -13.970 -15.703 1.00 0.00 WAT +ATOM 23443 H2 TIP3 5711 -20.656 -14.733 -14.478 1.00 0.00 WAT +ATOM 23444 OH2 TIP3 5712 -13.531 -11.873 -21.840 1.00 0.00 WAT +ATOM 23445 H1 TIP3 5712 -13.753 -11.017 -21.422 1.00 0.00 WAT +ATOM 23446 H2 TIP3 5712 -14.281 -12.421 -21.544 1.00 0.00 WAT +ATOM 23447 OH2 TIP3 5713 -23.530 -15.603 -9.648 1.00 0.00 WAT +ATOM 23448 H1 TIP3 5713 -23.343 -16.013 -8.779 1.00 0.00 WAT +ATOM 23449 H2 TIP3 5713 -24.147 -16.227 -10.053 1.00 0.00 WAT +ATOM 23450 OH2 TIP3 5714 -6.502 -18.583 -21.017 1.00 0.00 WAT +ATOM 23451 H1 TIP3 5714 -6.980 -18.668 -21.864 1.00 0.00 WAT +ATOM 23452 H2 TIP3 5714 -6.255 -17.643 -21.070 1.00 0.00 WAT +ATOM 23453 OH2 TIP3 5715 -8.239 -9.795 -20.887 1.00 0.00 WAT +ATOM 23454 H1 TIP3 5715 -8.508 -10.587 -20.398 1.00 0.00 WAT +ATOM 23455 H2 TIP3 5715 -7.779 -10.147 -21.659 1.00 0.00 WAT +ATOM 23456 OH2 TIP3 5716 -18.364 -10.551 -17.616 1.00 0.00 WAT +ATOM 23457 H1 TIP3 5716 -17.951 -9.680 -17.669 1.00 0.00 WAT +ATOM 23458 H2 TIP3 5716 -19.294 -10.341 -17.764 1.00 0.00 WAT +ATOM 23459 OH2 TIP3 5717 -22.451 -15.691 -23.131 1.00 0.00 WAT +ATOM 23460 H1 TIP3 5717 -21.866 -15.050 -22.686 1.00 0.00 WAT +ATOM 23461 H2 TIP3 5717 -23.308 -15.500 -22.700 1.00 0.00 WAT +ATOM 23462 OH2 TIP3 5718 -16.593 -12.849 -18.117 1.00 0.00 WAT +ATOM 23463 H1 TIP3 5718 -16.855 -11.948 -17.856 1.00 0.00 WAT +ATOM 23464 H2 TIP3 5718 -17.238 -13.363 -17.607 1.00 0.00 WAT +ATOM 23465 OH2 TIP3 5719 -18.060 -7.493 -18.486 1.00 0.00 WAT +ATOM 23466 H1 TIP3 5719 -19.026 -7.387 -18.347 1.00 0.00 WAT +ATOM 23467 H2 TIP3 5719 -17.713 -6.733 -18.007 1.00 0.00 WAT +ATOM 23468 OH2 TIP3 5720 -10.803 -11.583 -23.180 1.00 0.00 WAT +ATOM 23469 H1 TIP3 5720 -10.403 -12.026 -22.409 1.00 0.00 WAT +ATOM 23470 H2 TIP3 5720 -11.742 -11.696 -22.951 1.00 0.00 WAT +ATOM 23471 OH2 TIP3 5721 -6.037 -7.284 -22.661 1.00 0.00 WAT +ATOM 23472 H1 TIP3 5721 -5.490 -6.599 -23.075 1.00 0.00 WAT +ATOM 23473 H2 TIP3 5721 -6.844 -6.759 -22.495 1.00 0.00 WAT +ATOM 23474 OH2 TIP3 5722 -9.779 -12.911 -20.783 1.00 0.00 WAT +ATOM 23475 H1 TIP3 5722 -10.097 -13.647 -20.243 1.00 0.00 WAT +ATOM 23476 H2 TIP3 5722 -8.820 -12.954 -20.613 1.00 0.00 WAT +ATOM 23477 OH2 TIP3 5723 -16.592 -10.511 -24.637 1.00 0.00 WAT +ATOM 23478 H1 TIP3 5723 -16.301 -11.308 -25.115 1.00 0.00 WAT +ATOM 23479 H2 TIP3 5723 -17.010 -10.901 -23.848 1.00 0.00 WAT +ATOM 23480 OH2 TIP3 5724 -17.728 -10.980 -21.929 1.00 0.00 WAT +ATOM 23481 H1 TIP3 5724 -17.261 -11.515 -21.272 1.00 0.00 WAT +ATOM 23482 H2 TIP3 5724 -17.605 -10.074 -21.576 1.00 0.00 WAT +ATOM 23483 OH2 TIP3 5725 -20.950 -13.544 -21.537 1.00 0.00 WAT +ATOM 23484 H1 TIP3 5725 -21.640 -13.150 -20.969 1.00 0.00 WAT +ATOM 23485 H2 TIP3 5725 -20.447 -12.752 -21.791 1.00 0.00 WAT +ATOM 23486 OH2 TIP3 5726 -13.042 -20.862 -11.257 1.00 0.00 WAT +ATOM 23487 H1 TIP3 5726 -12.600 -20.680 -10.420 1.00 0.00 WAT +ATOM 23488 H2 TIP3 5726 -13.715 -21.505 -10.977 1.00 0.00 WAT +ATOM 23489 OH2 TIP3 5727 -12.399 -21.826 -20.190 1.00 0.00 WAT +ATOM 23490 H1 TIP3 5727 -12.413 -21.326 -21.018 1.00 0.00 WAT +ATOM 23491 H2 TIP3 5727 -12.036 -21.194 -19.553 1.00 0.00 WAT +ATOM 23492 OH2 TIP3 5728 -14.801 -9.314 -21.242 1.00 0.00 WAT +ATOM 23493 H1 TIP3 5728 -15.651 -8.859 -21.116 1.00 0.00 WAT +ATOM 23494 H2 TIP3 5728 -14.438 -8.855 -22.010 1.00 0.00 WAT +ATOM 23495 OH2 TIP3 5729 -15.081 -19.750 -19.265 1.00 0.00 WAT +ATOM 23496 H1 TIP3 5729 -14.425 -19.033 -19.141 1.00 0.00 WAT +ATOM 23497 H2 TIP3 5729 -15.470 -19.816 -18.372 1.00 0.00 WAT +ATOM 23498 OH2 TIP3 5730 -14.470 -22.643 -18.234 1.00 0.00 WAT +ATOM 23499 H1 TIP3 5730 -14.810 -21.893 -17.708 1.00 0.00 WAT +ATOM 23500 H2 TIP3 5730 -13.868 -22.197 -18.861 1.00 0.00 WAT +ATOM 23501 OH2 TIP3 5731 -17.573 -8.274 -21.248 1.00 0.00 WAT +ATOM 23502 H1 TIP3 5731 -17.680 -7.462 -21.782 1.00 0.00 WAT +ATOM 23503 H2 TIP3 5731 -17.787 -7.947 -20.350 1.00 0.00 WAT +ATOM 23504 OH2 TIP3 5732 -18.874 -21.615 -21.849 1.00 0.00 WAT +ATOM 23505 H1 TIP3 5732 -18.877 -20.888 -21.203 1.00 0.00 WAT +ATOM 23506 H2 TIP3 5732 -18.084 -22.116 -21.570 1.00 0.00 WAT +ATOM 23507 OH2 TIP3 5733 -20.485 -10.745 -22.774 1.00 0.00 WAT +ATOM 23508 H1 TIP3 5733 -19.767 -10.244 -22.351 1.00 0.00 WAT +ATOM 23509 H2 TIP3 5733 -19.966 -11.251 -23.419 1.00 0.00 WAT +ATOM 23510 OH2 TIP3 5734 -22.317 -18.545 -23.665 1.00 0.00 WAT +ATOM 23511 H1 TIP3 5734 -22.228 -17.605 -23.429 1.00 0.00 WAT +ATOM 23512 H2 TIP3 5734 -23.219 -18.585 -24.005 1.00 0.00 WAT +ATOM 23513 OH2 TIP3 5735 -21.387 -23.520 -14.847 1.00 0.00 WAT +ATOM 23514 H1 TIP3 5735 -21.600 -23.570 -15.798 1.00 0.00 WAT +ATOM 23515 H2 TIP3 5735 -21.718 -24.377 -14.510 1.00 0.00 WAT +ATOM 23516 OH2 TIP3 5736 -22.465 -10.014 -18.620 1.00 0.00 WAT +ATOM 23517 H1 TIP3 5736 -23.170 -9.463 -18.260 1.00 0.00 WAT +ATOM 23518 H2 TIP3 5736 -22.030 -9.398 -19.232 1.00 0.00 WAT +ATOM 23519 OH2 TIP3 5737 -14.378 -8.805 -24.125 1.00 0.00 WAT +ATOM 23520 H1 TIP3 5737 -15.134 -9.424 -24.221 1.00 0.00 WAT +ATOM 23521 H2 TIP3 5737 -13.664 -9.352 -24.487 1.00 0.00 WAT +ATOM 23522 OH2 TIP3 5738 -9.737 -8.931 -24.039 1.00 0.00 WAT +ATOM 23523 H1 TIP3 5738 -9.585 -9.747 -23.538 1.00 0.00 WAT +ATOM 23524 H2 TIP3 5738 -8.930 -8.861 -24.577 1.00 0.00 WAT +ATOM 23525 OH2 TIP3 5739 -23.449 -13.174 -6.131 1.00 0.00 WAT +ATOM 23526 H1 TIP3 5739 -23.218 -14.060 -6.430 1.00 0.00 WAT +ATOM 23527 H2 TIP3 5739 -23.974 -12.805 -6.853 1.00 0.00 WAT +ATOM 23528 OH2 TIP3 5740 -18.947 -13.078 -24.296 1.00 0.00 WAT +ATOM 23529 H1 TIP3 5740 -18.788 -13.665 -23.538 1.00 0.00 WAT +ATOM 23530 H2 TIP3 5740 -18.079 -13.113 -24.740 1.00 0.00 WAT +ATOM 23531 OH2 TIP3 5741 -13.700 -11.743 -24.677 1.00 0.00 WAT +ATOM 23532 H1 TIP3 5741 -13.753 -11.784 -23.705 1.00 0.00 WAT +ATOM 23533 H2 TIP3 5741 -13.756 -12.699 -24.889 1.00 0.00 WAT +ATOM 23534 OH2 TIP3 5742 -22.329 -16.514 -7.096 1.00 0.00 WAT +ATOM 23535 H1 TIP3 5742 -21.870 -17.347 -6.970 1.00 0.00 WAT +ATOM 23536 H2 TIP3 5742 -22.315 -16.168 -6.180 1.00 0.00 WAT +ATOM 23537 OH2 TIP3 5743 -17.874 -14.985 -21.969 1.00 0.00 WAT +ATOM 23538 H1 TIP3 5743 -18.465 -15.494 -21.394 1.00 0.00 WAT +ATOM 23539 H2 TIP3 5743 -17.568 -15.677 -22.590 1.00 0.00 WAT +ATOM 23540 OH2 TIP3 5744 -18.645 -17.069 -9.701 1.00 0.00 WAT +ATOM 23541 H1 TIP3 5744 -19.165 -16.257 -9.560 1.00 0.00 WAT +ATOM 23542 H2 TIP3 5744 -17.886 -16.754 -10.209 1.00 0.00 WAT +ATOM 23543 OH2 TIP3 5745 -16.902 -16.976 -23.694 1.00 0.00 WAT +ATOM 23544 H1 TIP3 5745 -16.948 -16.905 -24.664 1.00 0.00 WAT +ATOM 23545 H2 TIP3 5745 -15.939 -17.006 -23.545 1.00 0.00 WAT +ATOM 23546 OH2 TIP3 5746 -7.391 -14.446 -24.387 1.00 0.00 WAT +ATOM 23547 H1 TIP3 5746 -7.488 -14.880 -25.247 1.00 0.00 WAT +ATOM 23548 H2 TIP3 5746 -7.513 -13.505 -24.639 1.00 0.00 WAT +ATOM 23549 OH2 TIP3 5747 -17.721 -21.460 -10.860 1.00 0.00 WAT +ATOM 23550 H1 TIP3 5747 -17.269 -20.849 -11.457 1.00 0.00 WAT +ATOM 23551 H2 TIP3 5747 -18.659 -21.358 -11.104 1.00 0.00 WAT +ATOM 23552 OH2 TIP3 5748 -16.174 -15.727 -11.340 1.00 0.00 WAT +ATOM 23553 H1 TIP3 5748 -15.236 -16.008 -11.407 1.00 0.00 WAT +ATOM 23554 H2 TIP3 5748 -16.064 -14.845 -10.976 1.00 0.00 WAT +ATOM 23555 OH2 TIP3 5749 -16.952 -24.074 -10.399 1.00 0.00 WAT +ATOM 23556 H1 TIP3 5749 -17.215 -23.134 -10.480 1.00 0.00 WAT +ATOM 23557 H2 TIP3 5749 -17.643 -24.518 -10.917 1.00 0.00 WAT +ATOM 23558 OH2 TIP3 5750 -17.124 -5.641 -22.561 1.00 0.00 WAT +ATOM 23559 H1 TIP3 5750 -16.159 -5.616 -22.490 1.00 0.00 WAT +ATOM 23560 H2 TIP3 5750 -17.256 -5.263 -23.439 1.00 0.00 WAT +ATOM 23561 OH2 TIP3 5751 -23.254 -11.365 -23.077 1.00 0.00 WAT +ATOM 23562 H1 TIP3 5751 -22.302 -11.176 -22.929 1.00 0.00 WAT +ATOM 23563 H2 TIP3 5751 -23.218 -12.129 -23.683 1.00 0.00 WAT +ATOM 23564 OH2 TIP3 5752 -24.238 -6.062 -18.386 1.00 0.00 WAT +ATOM 23565 H1 TIP3 5752 -24.902 -6.539 -18.916 1.00 0.00 WAT +ATOM 23566 H2 TIP3 5752 -23.980 -6.724 -17.723 1.00 0.00 WAT +ATOM 23567 OH2 TIP3 5753 -23.873 -8.078 -16.251 1.00 0.00 WAT +ATOM 23568 H1 TIP3 5753 -24.091 -8.965 -15.919 1.00 0.00 WAT +ATOM 23569 H2 TIP3 5753 -23.478 -7.703 -15.445 1.00 0.00 WAT +ATOM 23570 OH2 TIP3 5754 -6.984 -13.325 -20.233 1.00 0.00 WAT +ATOM 23571 H1 TIP3 5754 -6.108 -12.913 -20.096 1.00 0.00 WAT +ATOM 23572 H2 TIP3 5754 -6.966 -14.010 -19.535 1.00 0.00 WAT +ATOM 23573 OH2 TIP3 5755 -6.562 -15.317 -18.363 1.00 0.00 WAT +ATOM 23574 H1 TIP3 5755 -7.093 -16.023 -17.986 1.00 0.00 WAT +ATOM 23575 H2 TIP3 5755 -5.818 -15.234 -17.754 1.00 0.00 WAT +ATOM 23576 OH2 TIP3 5756 -6.191 -15.626 -21.943 1.00 0.00 WAT +ATOM 23577 H1 TIP3 5756 -6.722 -15.347 -22.714 1.00 0.00 WAT +ATOM 23578 H2 TIP3 5756 -6.383 -14.908 -21.318 1.00 0.00 WAT +ATOM 23579 OH2 TIP3 5757 -7.973 -18.141 -23.563 1.00 0.00 WAT +ATOM 23580 H1 TIP3 5757 -7.740 -17.533 -24.277 1.00 0.00 WAT +ATOM 23581 H2 TIP3 5757 -8.224 -18.951 -24.051 1.00 0.00 WAT +ATOM 23582 OH2 TIP3 5758 -23.774 -14.819 -13.944 1.00 0.00 WAT +ATOM 23583 H1 TIP3 5758 -23.461 -14.714 -14.856 1.00 0.00 WAT +ATOM 23584 H2 TIP3 5758 -22.924 -15.014 -13.498 1.00 0.00 WAT +ATOM 23585 OH2 TIP3 5759 -8.556 -20.766 -24.403 1.00 0.00 WAT +ATOM 23586 H1 TIP3 5759 -7.958 -21.295 -23.845 1.00 0.00 WAT +ATOM 23587 H2 TIP3 5759 -9.347 -21.317 -24.503 1.00 0.00 WAT +ATOM 23588 OH2 TIP3 5760 -8.624 -19.367 -19.233 1.00 0.00 WAT +ATOM 23589 H1 TIP3 5760 -8.469 -20.291 -19.429 1.00 0.00 WAT +ATOM 23590 H2 TIP3 5760 -7.794 -18.963 -19.544 1.00 0.00 WAT +ATOM 23591 OH2 TIP3 5761 -23.483 -19.508 -7.559 1.00 0.00 WAT +ATOM 23592 H1 TIP3 5761 -22.639 -19.884 -7.298 1.00 0.00 WAT +ATOM 23593 H2 TIP3 5761 -24.060 -20.289 -7.526 1.00 0.00 WAT +ATOM 23594 OH2 TIP3 5762 -23.122 -21.088 -14.691 1.00 0.00 WAT +ATOM 23595 H1 TIP3 5762 -22.694 -21.959 -14.610 1.00 0.00 WAT +ATOM 23596 H2 TIP3 5762 -22.413 -20.510 -14.353 1.00 0.00 WAT +ATOM 23597 OH2 TIP3 5763 -24.620 -18.311 -13.775 1.00 0.00 WAT +ATOM 23598 H1 TIP3 5763 -23.932 -18.465 -14.441 1.00 0.00 WAT +ATOM 23599 H2 TIP3 5763 -24.212 -17.605 -13.256 1.00 0.00 WAT +ATOM 23600 OH2 TIP3 5764 -6.423 -21.875 -22.801 1.00 0.00 WAT +ATOM 23601 H1 TIP3 5764 -6.006 -22.630 -23.252 1.00 0.00 WAT +ATOM 23602 H2 TIP3 5764 -5.639 -21.332 -22.578 1.00 0.00 WAT +ATOM 23603 OH2 TIP3 5765 -24.123 -22.106 -19.679 1.00 0.00 WAT +ATOM 23604 H1 TIP3 5765 -25.089 -21.954 -19.753 1.00 0.00 WAT +ATOM 23605 H2 TIP3 5765 -23.746 -21.460 -20.305 1.00 0.00 WAT +ATOM 23606 OH2 TIP3 5766 -9.351 -6.868 -17.561 1.00 0.00 WAT +ATOM 23607 H1 TIP3 5766 -8.750 -7.161 -18.266 1.00 0.00 WAT +ATOM 23608 H2 TIP3 5766 -8.768 -6.381 -16.979 1.00 0.00 WAT +ATOM 23609 OH2 TIP3 5767 -24.008 -23.119 -11.495 1.00 0.00 WAT +ATOM 23610 H1 TIP3 5767 -24.689 -23.509 -10.934 1.00 0.00 WAT +ATOM 23611 H2 TIP3 5767 -24.541 -22.758 -12.217 1.00 0.00 WAT +ATOM 23612 OH2 TIP3 5768 -22.512 -7.349 -13.720 1.00 0.00 WAT +ATOM 23613 H1 TIP3 5768 -22.100 -7.477 -12.855 1.00 0.00 WAT +ATOM 23614 H2 TIP3 5768 -21.717 -7.283 -14.276 1.00 0.00 WAT +ATOM 23615 OH2 TIP3 5769 -20.270 -8.590 -15.371 1.00 0.00 WAT +ATOM 23616 H1 TIP3 5769 -20.385 -9.514 -15.069 1.00 0.00 WAT +ATOM 23617 H2 TIP3 5769 -19.351 -8.429 -15.061 1.00 0.00 WAT +ATOM 23618 OH2 TIP3 5770 -17.682 -8.335 -14.447 1.00 0.00 WAT +ATOM 23619 H1 TIP3 5770 -16.987 -8.924 -14.765 1.00 0.00 WAT +ATOM 23620 H2 TIP3 5770 -17.287 -8.019 -13.625 1.00 0.00 WAT +ATOM 23621 OH2 TIP3 5771 -14.019 -22.306 -15.159 1.00 0.00 WAT +ATOM 23622 H1 TIP3 5771 -14.789 -22.890 -15.006 1.00 0.00 WAT +ATOM 23623 H2 TIP3 5771 -13.619 -22.729 -15.926 1.00 0.00 WAT +ATOM 23624 OH2 TIP3 5772 -8.740 -24.275 -15.272 1.00 0.00 WAT +ATOM 23625 H1 TIP3 5772 -8.086 -23.570 -15.377 1.00 0.00 WAT +ATOM 23626 H2 TIP3 5772 -9.598 -23.832 -15.314 1.00 0.00 WAT +ATOM 23627 OH2 TIP3 5773 -21.760 -23.551 -17.713 1.00 0.00 WAT +ATOM 23628 H1 TIP3 5773 -22.632 -23.704 -18.129 1.00 0.00 WAT +ATOM 23629 H2 TIP3 5773 -21.349 -24.429 -17.815 1.00 0.00 WAT +ATOM 23630 OH2 TIP3 5774 -22.971 -24.057 -21.804 1.00 0.00 WAT +ATOM 23631 H1 TIP3 5774 -22.460 -23.384 -22.289 1.00 0.00 WAT +ATOM 23632 H2 TIP3 5774 -23.390 -23.530 -21.102 1.00 0.00 WAT +ATOM 23633 OH2 TIP3 5775 -17.270 -23.681 -17.821 1.00 0.00 WAT +ATOM 23634 H1 TIP3 5775 -16.324 -23.483 -17.881 1.00 0.00 WAT +ATOM 23635 H2 TIP3 5775 -17.374 -23.793 -16.867 1.00 0.00 WAT +ATOM 23636 OH2 TIP3 5776 -11.408 -23.791 -16.586 1.00 0.00 WAT +ATOM 23637 H1 TIP3 5776 -11.923 -23.970 -17.386 1.00 0.00 WAT +ATOM 23638 H2 TIP3 5776 -11.841 -24.428 -15.980 1.00 0.00 WAT +ATOM 23639 OH2 TIP3 5777 -22.752 -8.072 -20.674 1.00 0.00 WAT +ATOM 23640 H1 TIP3 5777 -23.420 -8.134 -21.372 1.00 0.00 WAT +ATOM 23641 H2 TIP3 5777 -22.759 -7.121 -20.496 1.00 0.00 WAT +ATOM 23642 OH2 TIP3 5778 -21.234 -22.221 -23.374 1.00 0.00 WAT +ATOM 23643 H1 TIP3 5778 -20.631 -22.806 -23.861 1.00 0.00 WAT +ATOM 23644 H2 TIP3 5778 -20.649 -21.904 -22.659 1.00 0.00 WAT +ATOM 23645 OH2 TIP3 5779 -16.058 -22.054 -20.783 1.00 0.00 WAT +ATOM 23646 H1 TIP3 5779 -15.869 -22.672 -20.064 1.00 0.00 WAT +ATOM 23647 H2 TIP3 5779 -15.953 -21.200 -20.333 1.00 0.00 WAT +ATOM 23648 OH2 TIP3 5780 -14.109 -6.261 -22.508 1.00 0.00 WAT +ATOM 23649 H1 TIP3 5780 -13.132 -6.256 -22.513 1.00 0.00 WAT +ATOM 23650 H2 TIP3 5780 -14.278 -6.956 -23.164 1.00 0.00 WAT +ATOM 23651 OH2 TIP3 5781 -7.196 -7.226 -19.596 1.00 0.00 WAT +ATOM 23652 H1 TIP3 5781 -7.487 -7.983 -20.133 1.00 0.00 WAT +ATOM 23653 H2 TIP3 5781 -7.249 -6.485 -20.213 1.00 0.00 WAT +ATOM 23654 OH2 TIP3 5782 -21.807 -23.194 -7.555 1.00 0.00 WAT +ATOM 23655 H1 TIP3 5782 -22.200 -24.075 -7.653 1.00 0.00 WAT +ATOM 23656 H2 TIP3 5782 -20.976 -23.285 -8.029 1.00 0.00 WAT +ATOM 23657 OH2 TIP3 5783 -21.336 -7.170 -23.833 1.00 0.00 WAT +ATOM 23658 H1 TIP3 5783 -21.576 -6.886 -22.939 1.00 0.00 WAT +ATOM 23659 H2 TIP3 5783 -20.550 -7.716 -23.671 1.00 0.00 WAT +ATOM 23660 OH2 TIP3 5784 12.214 -21.220 -12.954 1.00 0.00 WAT +ATOM 23661 H1 TIP3 5784 12.294 -20.436 -12.395 1.00 0.00 WAT +ATOM 23662 H2 TIP3 5784 12.782 -20.962 -13.704 1.00 0.00 WAT +ATOM 23663 OH2 TIP3 5785 6.817 -18.477 -13.295 1.00 0.00 WAT +ATOM 23664 H1 TIP3 5785 6.842 -19.444 -13.210 1.00 0.00 WAT +ATOM 23665 H2 TIP3 5785 6.461 -18.371 -14.193 1.00 0.00 WAT +ATOM 23666 OH2 TIP3 5786 -0.366 -20.514 -16.127 1.00 0.00 WAT +ATOM 23667 H1 TIP3 5786 -0.130 -19.664 -16.562 1.00 0.00 WAT +ATOM 23668 H2 TIP3 5786 -0.656 -21.020 -16.909 1.00 0.00 WAT +ATOM 23669 OH2 TIP3 5787 7.575 -20.371 -17.930 1.00 0.00 WAT +ATOM 23670 H1 TIP3 5787 8.094 -20.747 -17.189 1.00 0.00 WAT +ATOM 23671 H2 TIP3 5787 8.238 -19.797 -18.334 1.00 0.00 WAT +ATOM 23672 OH2 TIP3 5788 -1.516 -21.540 -12.161 1.00 0.00 WAT +ATOM 23673 H1 TIP3 5788 -1.794 -20.825 -12.770 1.00 0.00 WAT +ATOM 23674 H2 TIP3 5788 -2.154 -21.391 -11.432 1.00 0.00 WAT +ATOM 23675 OH2 TIP3 5789 9.452 -21.066 -15.774 1.00 0.00 WAT +ATOM 23676 H1 TIP3 5789 8.987 -21.639 -15.150 1.00 0.00 WAT +ATOM 23677 H2 TIP3 5789 9.897 -20.443 -15.173 1.00 0.00 WAT +ATOM 23678 OH2 TIP3 5790 -1.879 -19.515 -14.000 1.00 0.00 WAT +ATOM 23679 H1 TIP3 5790 -1.484 -18.720 -13.600 1.00 0.00 WAT +ATOM 23680 H2 TIP3 5790 -1.280 -19.712 -14.747 1.00 0.00 WAT +ATOM 23681 OH2 TIP3 5791 -4.317 -12.350 -20.264 1.00 0.00 WAT +ATOM 23682 H1 TIP3 5791 -4.475 -11.858 -21.079 1.00 0.00 WAT +ATOM 23683 H2 TIP3 5791 -4.118 -11.640 -19.614 1.00 0.00 WAT +ATOM 23684 OH2 TIP3 5792 9.531 -21.974 -12.006 1.00 0.00 WAT +ATOM 23685 H1 TIP3 5792 8.751 -21.561 -12.421 1.00 0.00 WAT +ATOM 23686 H2 TIP3 5792 10.247 -21.737 -12.618 1.00 0.00 WAT +ATOM 23687 OH2 TIP3 5793 2.651 -24.230 -14.983 1.00 0.00 WAT +ATOM 23688 H1 TIP3 5793 2.426 -25.177 -14.986 1.00 0.00 WAT +ATOM 23689 H2 TIP3 5793 1.857 -23.836 -14.561 1.00 0.00 WAT +ATOM 23690 OH2 TIP3 5794 8.949 -11.385 -18.498 1.00 0.00 WAT +ATOM 23691 H1 TIP3 5794 8.074 -11.193 -18.853 1.00 0.00 WAT +ATOM 23692 H2 TIP3 5794 8.845 -11.069 -17.584 1.00 0.00 WAT +ATOM 23693 OH2 TIP3 5795 4.466 -14.686 -20.127 1.00 0.00 WAT +ATOM 23694 H1 TIP3 5795 3.786 -14.696 -20.805 1.00 0.00 WAT +ATOM 23695 H2 TIP3 5795 5.275 -14.913 -20.598 1.00 0.00 WAT +ATOM 23696 OH2 TIP3 5796 5.057 -17.002 -23.065 1.00 0.00 WAT +ATOM 23697 H1 TIP3 5796 5.779 -16.840 -22.445 1.00 0.00 WAT +ATOM 23698 H2 TIP3 5796 5.452 -17.667 -23.648 1.00 0.00 WAT +ATOM 23699 OH2 TIP3 5797 7.294 -15.442 -21.263 1.00 0.00 WAT +ATOM 23700 H1 TIP3 5797 7.911 -15.978 -20.758 1.00 0.00 WAT +ATOM 23701 H2 TIP3 5797 7.799 -15.228 -22.083 1.00 0.00 WAT +ATOM 23702 OH2 TIP3 5798 10.651 -24.099 -22.123 1.00 0.00 WAT +ATOM 23703 H1 TIP3 5798 9.785 -23.991 -21.687 1.00 0.00 WAT +ATOM 23704 H2 TIP3 5798 11.015 -23.202 -22.066 1.00 0.00 WAT +ATOM 23705 OH2 TIP3 5799 12.023 -9.879 -23.477 1.00 0.00 WAT +ATOM 23706 H1 TIP3 5799 12.196 -8.928 -23.329 1.00 0.00 WAT +ATOM 23707 H2 TIP3 5799 12.912 -10.268 -23.354 1.00 0.00 WAT +ATOM 23708 OH2 TIP3 5800 -2.103 -7.462 -17.864 1.00 0.00 WAT +ATOM 23709 H1 TIP3 5800 -1.890 -7.630 -16.940 1.00 0.00 WAT +ATOM 23710 H2 TIP3 5800 -3.013 -7.731 -17.934 1.00 0.00 WAT +ATOM 23711 OH2 TIP3 5801 7.777 -7.045 -22.183 1.00 0.00 WAT +ATOM 23712 H1 TIP3 5801 8.037 -7.724 -22.834 1.00 0.00 WAT +ATOM 23713 H2 TIP3 5801 7.379 -7.594 -21.502 1.00 0.00 WAT +ATOM 23714 OH2 TIP3 5802 0.268 -23.073 -13.978 1.00 0.00 WAT +ATOM 23715 H1 TIP3 5802 -0.527 -23.159 -14.536 1.00 0.00 WAT +ATOM 23716 H2 TIP3 5802 -0.007 -22.317 -13.429 1.00 0.00 WAT +ATOM 23717 OH2 TIP3 5803 4.633 -23.556 -10.436 1.00 0.00 WAT +ATOM 23718 H1 TIP3 5803 5.133 -24.016 -9.736 1.00 0.00 WAT +ATOM 23719 H2 TIP3 5803 3.710 -23.821 -10.260 1.00 0.00 WAT +ATOM 23720 OH2 TIP3 5804 7.778 -19.714 -9.936 1.00 0.00 WAT +ATOM 23721 H1 TIP3 5804 7.255 -19.905 -9.135 1.00 0.00 WAT +ATOM 23722 H2 TIP3 5804 7.620 -18.772 -10.067 1.00 0.00 WAT +ATOM 23723 OH2 TIP3 5805 8.805 -14.881 -23.505 1.00 0.00 WAT +ATOM 23724 H1 TIP3 5805 8.506 -15.014 -24.428 1.00 0.00 WAT +ATOM 23725 H2 TIP3 5805 9.735 -14.637 -23.672 1.00 0.00 WAT +ATOM 23726 OH2 TIP3 5806 4.416 -20.981 -23.103 1.00 0.00 WAT +ATOM 23727 H1 TIP3 5806 3.918 -21.131 -22.284 1.00 0.00 WAT +ATOM 23728 H2 TIP3 5806 4.017 -21.659 -23.675 1.00 0.00 WAT +ATOM 23729 OH2 TIP3 5807 0.183 -18.329 -17.579 1.00 0.00 WAT +ATOM 23730 H1 TIP3 5807 -0.639 -17.826 -17.665 1.00 0.00 WAT +ATOM 23731 H2 TIP3 5807 0.537 -18.271 -18.474 1.00 0.00 WAT +ATOM 23732 OH2 TIP3 5808 5.663 -17.457 -18.936 1.00 0.00 WAT +ATOM 23733 H1 TIP3 5808 5.105 -16.758 -19.314 1.00 0.00 WAT +ATOM 23734 H2 TIP3 5808 6.261 -17.693 -19.663 1.00 0.00 WAT +ATOM 23735 OH2 TIP3 5809 4.503 -17.528 -7.553 1.00 0.00 WAT +ATOM 23736 H1 TIP3 5809 4.010 -18.253 -7.131 1.00 0.00 WAT +ATOM 23737 H2 TIP3 5809 5.342 -17.507 -7.071 1.00 0.00 WAT +ATOM 23738 OH2 TIP3 5810 6.363 -18.161 -16.118 1.00 0.00 WAT +ATOM 23739 H1 TIP3 5810 6.014 -17.662 -16.876 1.00 0.00 WAT +ATOM 23740 H2 TIP3 5810 6.454 -19.042 -16.509 1.00 0.00 WAT +ATOM 23741 OH2 TIP3 5811 -2.199 -18.255 -11.167 1.00 0.00 WAT +ATOM 23742 H1 TIP3 5811 -2.126 -17.543 -10.517 1.00 0.00 WAT +ATOM 23743 H2 TIP3 5811 -2.864 -18.839 -10.781 1.00 0.00 WAT +ATOM 23744 OH2 TIP3 5812 0.860 -20.566 -24.222 1.00 0.00 WAT +ATOM 23745 H1 TIP3 5812 0.510 -20.859 -23.356 1.00 0.00 WAT +ATOM 23746 H2 TIP3 5812 0.051 -20.391 -24.717 1.00 0.00 WAT +ATOM 23747 OH2 TIP3 5813 -4.253 -20.328 -21.591 1.00 0.00 WAT +ATOM 23748 H1 TIP3 5813 -3.550 -19.843 -22.062 1.00 0.00 WAT +ATOM 23749 H2 TIP3 5813 -4.729 -19.600 -21.162 1.00 0.00 WAT +ATOM 23750 OH2 TIP3 5814 5.786 -16.506 -11.307 1.00 0.00 WAT +ATOM 23751 H1 TIP3 5814 6.096 -17.057 -12.040 1.00 0.00 WAT +ATOM 23752 H2 TIP3 5814 5.057 -17.041 -10.944 1.00 0.00 WAT +ATOM 23753 OH2 TIP3 5815 2.789 -20.662 -16.719 1.00 0.00 WAT +ATOM 23754 H1 TIP3 5815 1.853 -20.591 -16.467 1.00 0.00 WAT +ATOM 23755 H2 TIP3 5815 3.211 -20.712 -15.844 1.00 0.00 WAT +ATOM 23756 OH2 TIP3 5816 -2.762 -19.064 -18.639 1.00 0.00 WAT +ATOM 23757 H1 TIP3 5816 -3.636 -19.244 -18.303 1.00 0.00 WAT +ATOM 23758 H2 TIP3 5816 -2.288 -19.906 -18.533 1.00 0.00 WAT +ATOM 23759 OH2 TIP3 5817 1.031 -19.183 -20.466 1.00 0.00 WAT +ATOM 23760 H1 TIP3 5817 1.951 -18.948 -20.269 1.00 0.00 WAT +ATOM 23761 H2 TIP3 5817 0.710 -18.457 -21.030 1.00 0.00 WAT +ATOM 23762 OH2 TIP3 5818 7.177 -21.518 -13.713 1.00 0.00 WAT +ATOM 23763 H1 TIP3 5818 6.571 -21.477 -12.941 1.00 0.00 WAT +ATOM 23764 H2 TIP3 5818 6.546 -21.817 -14.392 1.00 0.00 WAT +ATOM 23765 OH2 TIP3 5819 -0.557 -17.798 -22.554 1.00 0.00 WAT +ATOM 23766 H1 TIP3 5819 -1.038 -18.076 -23.346 1.00 0.00 WAT +ATOM 23767 H2 TIP3 5819 0.253 -17.412 -22.933 1.00 0.00 WAT +ATOM 23768 OH2 TIP3 5820 -1.004 -21.589 -18.624 1.00 0.00 WAT +ATOM 23769 H1 TIP3 5820 -1.529 -22.403 -18.533 1.00 0.00 WAT +ATOM 23770 H2 TIP3 5820 -0.201 -21.897 -19.064 1.00 0.00 WAT +ATOM 23771 OH2 TIP3 5821 2.414 -19.415 -12.700 1.00 0.00 WAT +ATOM 23772 H1 TIP3 5821 1.781 -18.700 -12.591 1.00 0.00 WAT +ATOM 23773 H2 TIP3 5821 3.150 -19.120 -12.139 1.00 0.00 WAT +ATOM 23774 OH2 TIP3 5822 7.087 -20.420 -22.930 1.00 0.00 WAT +ATOM 23775 H1 TIP3 5822 6.106 -20.470 -22.996 1.00 0.00 WAT +ATOM 23776 H2 TIP3 5822 7.236 -19.673 -22.329 1.00 0.00 WAT +ATOM 23777 OH2 TIP3 5823 7.799 -18.421 -20.899 1.00 0.00 WAT +ATOM 23778 H1 TIP3 5823 8.616 -18.767 -20.481 1.00 0.00 WAT +ATOM 23779 H2 TIP3 5823 8.150 -17.889 -21.622 1.00 0.00 WAT +ATOM 23780 OH2 TIP3 5824 12.331 -18.568 -21.163 1.00 0.00 WAT +ATOM 23781 H1 TIP3 5824 11.829 -18.798 -21.969 1.00 0.00 WAT +ATOM 23782 H2 TIP3 5824 12.480 -17.624 -21.332 1.00 0.00 WAT +ATOM 23783 OH2 TIP3 5825 10.538 -9.813 -20.919 1.00 0.00 WAT +ATOM 23784 H1 TIP3 5825 10.479 -10.615 -20.387 1.00 0.00 WAT +ATOM 23785 H2 TIP3 5825 11.064 -10.081 -21.689 1.00 0.00 WAT +ATOM 23786 OH2 TIP3 5826 7.699 -14.558 -13.774 1.00 0.00 WAT +ATOM 23787 H1 TIP3 5826 6.950 -15.022 -13.400 1.00 0.00 WAT +ATOM 23788 H2 TIP3 5826 8.404 -15.209 -13.773 1.00 0.00 WAT +ATOM 23789 OH2 TIP3 5827 -3.445 -15.507 -22.939 1.00 0.00 WAT +ATOM 23790 H1 TIP3 5827 -2.937 -14.854 -22.442 1.00 0.00 WAT +ATOM 23791 H2 TIP3 5827 -4.346 -15.362 -22.594 1.00 0.00 WAT +ATOM 23792 OH2 TIP3 5828 8.257 -11.651 -22.865 1.00 0.00 WAT +ATOM 23793 H1 TIP3 5828 8.272 -12.160 -22.052 1.00 0.00 WAT +ATOM 23794 H2 TIP3 5828 7.311 -11.678 -23.100 1.00 0.00 WAT +ATOM 23795 OH2 TIP3 5829 12.573 -7.156 -22.656 1.00 0.00 WAT +ATOM 23796 H1 TIP3 5829 13.290 -6.559 -22.930 1.00 0.00 WAT +ATOM 23797 H2 TIP3 5829 11.870 -6.507 -22.554 1.00 0.00 WAT +ATOM 23798 OH2 TIP3 5830 -3.425 -20.860 -10.177 1.00 0.00 WAT +ATOM 23799 H1 TIP3 5830 -4.330 -20.558 -10.322 1.00 0.00 WAT +ATOM 23800 H2 TIP3 5830 -3.550 -21.697 -9.704 1.00 0.00 WAT +ATOM 23801 OH2 TIP3 5831 2.970 -10.513 -24.563 1.00 0.00 WAT +ATOM 23802 H1 TIP3 5831 2.856 -11.266 -25.171 1.00 0.00 WAT +ATOM 23803 H2 TIP3 5831 2.165 -10.563 -24.044 1.00 0.00 WAT +ATOM 23804 OH2 TIP3 5832 5.608 -21.056 -11.503 1.00 0.00 WAT +ATOM 23805 H1 TIP3 5832 6.194 -20.741 -10.797 1.00 0.00 WAT +ATOM 23806 H2 TIP3 5832 5.123 -21.781 -11.063 1.00 0.00 WAT +ATOM 23807 OH2 TIP3 5833 6.256 -21.643 -20.220 1.00 0.00 WAT +ATOM 23808 H1 TIP3 5833 6.464 -21.126 -21.012 1.00 0.00 WAT +ATOM 23809 H2 TIP3 5833 6.715 -21.151 -19.514 1.00 0.00 WAT +ATOM 23810 OH2 TIP3 5834 3.693 -19.591 -19.270 1.00 0.00 WAT +ATOM 23811 H1 TIP3 5834 4.465 -19.046 -19.037 1.00 0.00 WAT +ATOM 23812 H2 TIP3 5834 3.338 -19.815 -18.387 1.00 0.00 WAT +ATOM 23813 OH2 TIP3 5835 4.044 -18.442 -10.146 1.00 0.00 WAT +ATOM 23814 H1 TIP3 5835 4.031 -18.046 -9.246 1.00 0.00 WAT +ATOM 23815 H2 TIP3 5835 4.461 -19.292 -9.963 1.00 0.00 WAT +ATOM 23816 OH2 TIP3 5836 4.225 -22.635 -18.357 1.00 0.00 WAT +ATOM 23817 H1 TIP3 5836 4.031 -21.971 -17.665 1.00 0.00 WAT +ATOM 23818 H2 TIP3 5836 4.970 -22.211 -18.827 1.00 0.00 WAT +ATOM 23819 OH2 TIP3 5837 -0.037 -21.606 -21.793 1.00 0.00 WAT +ATOM 23820 H1 TIP3 5837 0.009 -20.813 -21.223 1.00 0.00 WAT +ATOM 23821 H2 TIP3 5837 0.778 -22.068 -21.517 1.00 0.00 WAT +ATOM 23822 OH2 TIP3 5838 10.449 -20.730 -9.419 1.00 0.00 WAT +ATOM 23823 H1 TIP3 5838 9.499 -20.543 -9.373 1.00 0.00 WAT +ATOM 23824 H2 TIP3 5838 10.534 -20.991 -10.340 1.00 0.00 WAT +ATOM 23825 OH2 TIP3 5839 8.881 -17.042 -15.496 1.00 0.00 WAT +ATOM 23826 H1 TIP3 5839 7.960 -17.364 -15.487 1.00 0.00 WAT +ATOM 23827 H2 TIP3 5839 9.280 -17.594 -14.795 1.00 0.00 WAT +ATOM 23828 OH2 TIP3 5840 -3.442 -18.467 -23.702 1.00 0.00 WAT +ATOM 23829 H1 TIP3 5840 -3.307 -17.579 -23.335 1.00 0.00 WAT +ATOM 23830 H2 TIP3 5840 -4.379 -18.479 -23.921 1.00 0.00 WAT +ATOM 23831 OH2 TIP3 5841 10.140 -7.851 -14.247 1.00 0.00 WAT +ATOM 23832 H1 TIP3 5841 9.231 -7.694 -13.920 1.00 0.00 WAT +ATOM 23833 H2 TIP3 5841 10.640 -7.846 -13.421 1.00 0.00 WAT +ATOM 23834 OH2 TIP3 5842 -2.362 -23.712 -14.971 1.00 0.00 WAT +ATOM 23835 H1 TIP3 5842 -2.778 -23.578 -15.841 1.00 0.00 WAT +ATOM 23836 H2 TIP3 5842 -2.865 -24.450 -14.586 1.00 0.00 WAT +ATOM 23837 OH2 TIP3 5843 -3.802 -10.068 -18.712 1.00 0.00 WAT +ATOM 23838 H1 TIP3 5843 -4.515 -9.483 -18.431 1.00 0.00 WAT +ATOM 23839 H2 TIP3 5843 -3.217 -9.439 -19.164 1.00 0.00 WAT +ATOM 23840 OH2 TIP3 5844 9.024 -8.945 -23.994 1.00 0.00 WAT +ATOM 23841 H1 TIP3 5844 9.196 -9.759 -23.491 1.00 0.00 WAT +ATOM 23842 H2 TIP3 5844 9.823 -8.875 -24.545 1.00 0.00 WAT +ATOM 23843 OH2 TIP3 5845 5.585 -11.992 -24.454 1.00 0.00 WAT +ATOM 23844 H1 TIP3 5845 4.881 -11.665 -23.878 1.00 0.00 WAT +ATOM 23845 H2 TIP3 5845 5.245 -12.876 -24.717 1.00 0.00 WAT +ATOM 23846 OH2 TIP3 5846 1.967 -16.783 -23.543 1.00 0.00 WAT +ATOM 23847 H1 TIP3 5846 1.886 -16.680 -24.503 1.00 0.00 WAT +ATOM 23848 H2 TIP3 5846 2.929 -16.754 -23.414 1.00 0.00 WAT +ATOM 23849 OH2 TIP3 5847 11.460 -14.513 -24.415 1.00 0.00 WAT +ATOM 23850 H1 TIP3 5847 11.271 -14.891 -25.295 1.00 0.00 WAT +ATOM 23851 H2 TIP3 5847 11.407 -13.559 -24.631 1.00 0.00 WAT +ATOM 23852 OH2 TIP3 5848 0.762 -19.655 -8.627 1.00 0.00 WAT +ATOM 23853 H1 TIP3 5848 0.792 -20.339 -9.314 1.00 0.00 WAT +ATOM 23854 H2 TIP3 5848 0.539 -18.863 -9.139 1.00 0.00 WAT +ATOM 23855 OH2 TIP3 5849 1.166 -21.450 -11.190 1.00 0.00 WAT +ATOM 23856 H1 TIP3 5849 1.648 -20.864 -11.811 1.00 0.00 WAT +ATOM 23857 H2 TIP3 5849 0.239 -21.354 -11.482 1.00 0.00 WAT +ATOM 23858 OH2 TIP3 5850 7.397 -18.271 -6.242 1.00 0.00 WAT +ATOM 23859 H1 TIP3 5850 7.598 -19.177 -5.976 1.00 0.00 WAT +ATOM 23860 H2 TIP3 5850 8.145 -17.763 -5.919 1.00 0.00 WAT +ATOM 23861 OH2 TIP3 5851 -0.942 -18.404 -6.315 1.00 0.00 WAT +ATOM 23862 H1 TIP3 5851 -1.735 -18.830 -6.693 1.00 0.00 WAT +ATOM 23863 H2 TIP3 5851 -0.377 -18.292 -7.087 1.00 0.00 WAT +ATOM 23864 OH2 TIP3 5852 1.864 -24.113 -10.777 1.00 0.00 WAT +ATOM 23865 H1 TIP3 5852 1.701 -23.155 -10.930 1.00 0.00 WAT +ATOM 23866 H2 TIP3 5852 1.136 -24.508 -11.288 1.00 0.00 WAT +ATOM 23867 OH2 TIP3 5853 3.068 -19.834 -7.038 1.00 0.00 WAT +ATOM 23868 H1 TIP3 5853 2.691 -19.831 -6.146 1.00 0.00 WAT +ATOM 23869 H2 TIP3 5853 2.247 -19.761 -7.574 1.00 0.00 WAT +ATOM 23870 OH2 TIP3 5854 5.734 -20.630 -8.093 1.00 0.00 WAT +ATOM 23871 H1 TIP3 5854 4.848 -20.504 -7.704 1.00 0.00 WAT +ATOM 23872 H2 TIP3 5854 6.218 -21.046 -7.354 1.00 0.00 WAT +ATOM 23873 OH2 TIP3 5855 7.645 -21.686 -6.137 1.00 0.00 WAT +ATOM 23874 H1 TIP3 5855 7.646 -22.654 -6.128 1.00 0.00 WAT +ATOM 23875 H2 TIP3 5855 7.546 -21.461 -5.192 1.00 0.00 WAT +ATOM 23876 OH2 TIP3 5856 -2.804 -20.403 -6.819 1.00 0.00 WAT +ATOM 23877 H1 TIP3 5856 -2.773 -21.033 -7.547 1.00 0.00 WAT +ATOM 23878 H2 TIP3 5856 -2.812 -20.990 -6.041 1.00 0.00 WAT +ATOM 23879 OH2 TIP3 5857 1.700 -24.640 -7.970 1.00 0.00 WAT +ATOM 23880 H1 TIP3 5857 2.254 -25.432 -7.903 1.00 0.00 WAT +ATOM 23881 H2 TIP3 5857 1.680 -24.492 -8.935 1.00 0.00 WAT +ATOM 23882 OH2 TIP3 5858 2.604 -22.903 -6.014 1.00 0.00 WAT +ATOM 23883 H1 TIP3 5858 2.303 -23.451 -6.771 1.00 0.00 WAT +ATOM 23884 H2 TIP3 5858 2.048 -22.117 -6.116 1.00 0.00 WAT +ATOM 23885 OH2 TIP3 5859 -4.203 -11.325 -23.194 1.00 0.00 WAT +ATOM 23886 H1 TIP3 5859 -3.263 -11.303 -22.960 1.00 0.00 WAT +ATOM 23887 H2 TIP3 5859 -4.263 -12.143 -23.728 1.00 0.00 WAT +ATOM 23888 OH2 TIP3 5860 12.710 -6.714 -13.334 1.00 0.00 WAT +ATOM 23889 H1 TIP3 5860 12.640 -6.677 -12.370 1.00 0.00 WAT +ATOM 23890 H2 TIP3 5860 13.642 -6.523 -13.451 1.00 0.00 WAT +ATOM 23891 OH2 TIP3 5861 12.172 -14.912 -18.470 1.00 0.00 WAT +ATOM 23892 H1 TIP3 5861 11.800 -15.690 -18.021 1.00 0.00 WAT +ATOM 23893 H2 TIP3 5861 13.019 -14.790 -17.985 1.00 0.00 WAT +ATOM 23894 OH2 TIP3 5862 12.123 -12.412 -13.155 1.00 0.00 WAT +ATOM 23895 H1 TIP3 5862 12.515 -13.169 -13.601 1.00 0.00 WAT +ATOM 23896 H2 TIP3 5862 12.162 -11.695 -13.796 1.00 0.00 WAT +ATOM 23897 OH2 TIP3 5863 12.006 -15.260 -21.514 1.00 0.00 WAT +ATOM 23898 H1 TIP3 5863 12.035 -15.164 -22.484 1.00 0.00 WAT +ATOM 23899 H2 TIP3 5863 12.704 -14.668 -21.199 1.00 0.00 WAT +ATOM 23900 OH2 TIP3 5864 10.814 -18.097 -23.628 1.00 0.00 WAT +ATOM 23901 H1 TIP3 5864 11.141 -17.590 -24.386 1.00 0.00 WAT +ATOM 23902 H2 TIP3 5864 10.603 -18.959 -24.044 1.00 0.00 WAT +ATOM 23903 OH2 TIP3 5865 9.936 -16.533 -18.007 1.00 0.00 WAT +ATOM 23904 H1 TIP3 5865 9.987 -17.491 -18.168 1.00 0.00 WAT +ATOM 23905 H2 TIP3 5865 9.606 -16.559 -17.073 1.00 0.00 WAT +ATOM 23906 OH2 TIP3 5866 10.300 -20.750 -24.356 1.00 0.00 WAT +ATOM 23907 H1 TIP3 5866 10.927 -21.291 -23.843 1.00 0.00 WAT +ATOM 23908 H2 TIP3 5866 9.561 -21.353 -24.521 1.00 0.00 WAT +ATOM 23909 OH2 TIP3 5867 10.143 -19.382 -19.469 1.00 0.00 WAT +ATOM 23910 H1 TIP3 5867 10.332 -20.330 -19.298 1.00 0.00 WAT +ATOM 23911 H2 TIP3 5867 10.983 -19.126 -19.893 1.00 0.00 WAT +ATOM 23912 OH2 TIP3 5868 10.309 -18.853 -13.812 1.00 0.00 WAT +ATOM 23913 H1 TIP3 5868 11.267 -18.653 -13.814 1.00 0.00 WAT +ATOM 23914 H2 TIP3 5868 10.075 -18.672 -12.894 1.00 0.00 WAT +ATOM 23915 OH2 TIP3 5869 12.912 -23.732 -6.245 1.00 0.00 WAT +ATOM 23916 H1 TIP3 5869 13.358 -24.489 -6.666 1.00 0.00 WAT +ATOM 23917 H2 TIP3 5869 13.163 -23.009 -6.833 1.00 0.00 WAT +ATOM 23918 OH2 TIP3 5870 10.569 -22.251 -19.484 1.00 0.00 WAT +ATOM 23919 H1 TIP3 5870 10.714 -22.599 -18.585 1.00 0.00 WAT +ATOM 23920 H2 TIP3 5870 9.785 -22.767 -19.764 1.00 0.00 WAT +ATOM 23921 OH2 TIP3 5871 -4.170 -21.450 -14.433 1.00 0.00 WAT +ATOM 23922 H1 TIP3 5871 -3.500 -22.145 -14.363 1.00 0.00 WAT +ATOM 23923 H2 TIP3 5871 -3.647 -20.663 -14.224 1.00 0.00 WAT +ATOM 23924 OH2 TIP3 5872 12.547 -21.794 -22.827 1.00 0.00 WAT +ATOM 23925 H1 TIP3 5872 12.830 -22.591 -23.306 1.00 0.00 WAT +ATOM 23926 H2 TIP3 5872 13.375 -21.288 -22.783 1.00 0.00 WAT +ATOM 23927 OH2 TIP3 5873 -5.581 -22.150 -19.799 1.00 0.00 WAT +ATOM 23928 H1 TIP3 5873 -6.300 -21.564 -20.032 1.00 0.00 WAT +ATOM 23929 H2 TIP3 5873 -4.809 -21.596 -19.984 1.00 0.00 WAT +ATOM 23930 OH2 TIP3 5874 -5.538 -23.003 -11.237 1.00 0.00 WAT +ATOM 23931 H1 TIP3 5874 -6.166 -23.642 -10.872 1.00 0.00 WAT +ATOM 23932 H2 TIP3 5874 -6.002 -22.637 -11.997 1.00 0.00 WAT +ATOM 23933 OH2 TIP3 5875 11.349 -23.801 -9.596 1.00 0.00 WAT +ATOM 23934 H1 TIP3 5875 10.591 -23.469 -10.098 1.00 0.00 WAT +ATOM 23935 H2 TIP3 5875 11.530 -24.666 -10.010 1.00 0.00 WAT +ATOM 23936 OH2 TIP3 5876 4.771 -22.292 -15.221 1.00 0.00 WAT +ATOM 23937 H1 TIP3 5876 4.044 -22.933 -15.098 1.00 0.00 WAT +ATOM 23938 H2 TIP3 5876 5.355 -22.763 -15.833 1.00 0.00 WAT +ATOM 23939 OH2 TIP3 5877 9.704 -24.268 -14.796 1.00 0.00 WAT +ATOM 23940 H1 TIP3 5877 10.451 -23.793 -15.196 1.00 0.00 WAT +ATOM 23941 H2 TIP3 5877 8.946 -23.928 -15.299 1.00 0.00 WAT +ATOM 23942 OH2 TIP3 5878 11.763 -23.138 -16.930 1.00 0.00 WAT +ATOM 23943 H1 TIP3 5878 12.497 -23.555 -17.415 1.00 0.00 WAT +ATOM 23944 H2 TIP3 5878 12.091 -22.226 -16.808 1.00 0.00 WAT +ATOM 23945 OH2 TIP3 5879 -3.011 -23.560 -17.842 1.00 0.00 WAT +ATOM 23946 H1 TIP3 5879 -3.937 -23.729 -18.096 1.00 0.00 WAT +ATOM 23947 H2 TIP3 5879 -2.598 -24.437 -17.884 1.00 0.00 WAT +ATOM 23948 OH2 TIP3 5880 -4.139 -24.012 -21.718 1.00 0.00 WAT +ATOM 23949 H1 TIP3 5880 -3.592 -23.388 -22.231 1.00 0.00 WAT +ATOM 23950 H2 TIP3 5880 -4.619 -23.414 -21.117 1.00 0.00 WAT +ATOM 23951 OH2 TIP3 5881 1.576 -23.790 -17.802 1.00 0.00 WAT +ATOM 23952 H1 TIP3 5881 2.459 -23.404 -17.928 1.00 0.00 WAT +ATOM 23953 H2 TIP3 5881 1.523 -23.798 -16.837 1.00 0.00 WAT +ATOM 23954 OH2 TIP3 5882 7.155 -23.683 -16.417 1.00 0.00 WAT +ATOM 23955 H1 TIP3 5882 7.441 -23.887 -17.316 1.00 0.00 WAT +ATOM 23956 H2 TIP3 5882 6.777 -24.533 -16.128 1.00 0.00 WAT +ATOM 23957 OH2 TIP3 5883 8.273 -23.690 -20.418 1.00 0.00 WAT +ATOM 23958 H1 TIP3 5883 7.445 -23.186 -20.527 1.00 0.00 WAT +ATOM 23959 H2 TIP3 5883 7.928 -24.586 -20.258 1.00 0.00 WAT +ATOM 23960 OH2 TIP3 5884 -3.731 -8.078 -20.751 1.00 0.00 WAT +ATOM 23961 H1 TIP3 5884 -4.530 -7.993 -21.292 1.00 0.00 WAT +ATOM 23962 H2 TIP3 5884 -3.585 -7.165 -20.451 1.00 0.00 WAT +ATOM 23963 OH2 TIP3 5885 -2.365 -22.291 -23.366 1.00 0.00 WAT +ATOM 23964 H1 TIP3 5885 -1.717 -22.809 -23.874 1.00 0.00 WAT +ATOM 23965 H2 TIP3 5885 -1.797 -21.927 -22.659 1.00 0.00 WAT +ATOM 23966 OH2 TIP3 5886 2.741 -22.075 -20.765 1.00 0.00 WAT +ATOM 23967 H1 TIP3 5886 3.074 -22.626 -20.039 1.00 0.00 WAT +ATOM 23968 H2 TIP3 5886 2.868 -21.194 -20.381 1.00 0.00 WAT +ATOM 23969 OH2 TIP3 5887 11.549 -7.220 -19.784 1.00 0.00 WAT +ATOM 23970 H1 TIP3 5887 11.295 -8.049 -20.220 1.00 0.00 WAT +ATOM 23971 H2 TIP3 5887 11.274 -6.551 -20.409 1.00 0.00 WAT +ATOM 23972 OH2 TIP3 5888 -3.188 -23.320 -8.178 1.00 0.00 WAT +ATOM 23973 H1 TIP3 5888 -3.493 -24.151 -7.749 1.00 0.00 WAT +ATOM 23974 H2 TIP3 5888 -2.264 -23.362 -7.895 1.00 0.00 WAT +ATOM 23975 OH2 TIP3 5889 -0.690 -23.971 -6.235 1.00 0.00 WAT +ATOM 23976 H1 TIP3 5889 0.041 -24.373 -6.739 1.00 0.00 WAT +ATOM 23977 H2 TIP3 5889 -1.282 -24.743 -6.137 1.00 0.00 WAT +ATOM 23978 OH2 TIP3 5890 7.401 -24.739 -6.092 1.00 0.00 WAT +ATOM 23979 H1 TIP3 5890 7.574 -25.174 -5.249 1.00 0.00 WAT +ATOM 23980 H2 TIP3 5890 8.286 -24.761 -6.500 1.00 0.00 WAT +ATOM 23981 OH2 TIP3 5891 24.990 -14.814 -17.460 1.00 0.00 WAT +ATOM 23982 H1 TIP3 5891 24.954 -13.871 -17.237 1.00 0.00 WAT +ATOM 23983 H2 TIP3 5891 24.176 -14.929 -17.968 1.00 0.00 WAT +ATOM 23984 OH2 TIP3 5892 23.831 -15.393 -14.372 1.00 0.00 WAT +ATOM 23985 H1 TIP3 5892 23.816 -15.883 -13.533 1.00 0.00 WAT +ATOM 23986 H2 TIP3 5892 23.534 -16.067 -15.000 1.00 0.00 WAT +ATOM 23987 OH2 TIP3 5893 16.416 -15.600 -12.408 1.00 0.00 WAT +ATOM 23988 H1 TIP3 5893 16.361 -16.386 -11.835 1.00 0.00 WAT +ATOM 23989 H2 TIP3 5893 17.270 -15.223 -12.168 1.00 0.00 WAT +ATOM 23990 OH2 TIP3 5894 27.501 -12.379 -15.882 1.00 0.00 WAT +ATOM 23991 H1 TIP3 5894 27.190 -13.115 -15.338 1.00 0.00 WAT +ATOM 23992 H2 TIP3 5894 27.871 -11.802 -15.196 1.00 0.00 WAT +ATOM 23993 OH2 TIP3 5895 17.213 -11.241 -14.439 1.00 0.00 WAT +ATOM 23994 H1 TIP3 5895 16.904 -12.161 -14.568 1.00 0.00 WAT +ATOM 23995 H2 TIP3 5895 18.160 -11.378 -14.264 1.00 0.00 WAT +ATOM 23996 OH2 TIP3 5896 13.924 -17.764 -18.823 1.00 0.00 WAT +ATOM 23997 H1 TIP3 5896 13.599 -16.868 -18.665 1.00 0.00 WAT +ATOM 23998 H2 TIP3 5896 13.172 -18.213 -19.226 1.00 0.00 WAT +ATOM 23999 OH2 TIP3 5897 14.561 -15.302 -17.113 1.00 0.00 WAT +ATOM 24000 H1 TIP3 5897 14.683 -15.992 -16.434 1.00 0.00 WAT +ATOM 24001 H2 TIP3 5897 15.480 -15.089 -17.322 1.00 0.00 WAT +ATOM 24002 OH2 TIP3 5898 24.537 -7.249 -15.400 1.00 0.00 WAT +ATOM 24003 H1 TIP3 5898 25.090 -7.979 -15.724 1.00 0.00 WAT +ATOM 24004 H2 TIP3 5898 24.327 -7.566 -14.508 1.00 0.00 WAT +ATOM 24005 OH2 TIP3 5899 22.319 -12.910 -13.770 1.00 0.00 WAT +ATOM 24006 H1 TIP3 5899 22.693 -13.635 -14.300 1.00 0.00 WAT +ATOM 24007 H2 TIP3 5899 23.114 -12.693 -13.238 1.00 0.00 WAT +ATOM 24008 OH2 TIP3 5900 30.969 -21.327 -13.165 1.00 0.00 WAT +ATOM 24009 H1 TIP3 5900 31.212 -20.756 -12.420 1.00 0.00 WAT +ATOM 24010 H2 TIP3 5900 31.587 -21.011 -13.847 1.00 0.00 WAT +ATOM 24011 OH2 TIP3 5901 25.615 -18.526 -13.260 1.00 0.00 WAT +ATOM 24012 H1 TIP3 5901 25.758 -19.488 -13.208 1.00 0.00 WAT +ATOM 24013 H2 TIP3 5901 25.517 -18.403 -14.216 1.00 0.00 WAT +ATOM 24014 OH2 TIP3 5902 18.582 -20.513 -16.187 1.00 0.00 WAT +ATOM 24015 H1 TIP3 5902 18.716 -19.652 -16.629 1.00 0.00 WAT +ATOM 24016 H2 TIP3 5902 18.220 -21.028 -16.933 1.00 0.00 WAT +ATOM 24017 OH2 TIP3 5903 26.425 -20.373 -17.908 1.00 0.00 WAT +ATOM 24018 H1 TIP3 5903 26.966 -20.780 -17.192 1.00 0.00 WAT +ATOM 24019 H2 TIP3 5903 27.110 -19.896 -18.397 1.00 0.00 WAT +ATOM 24020 OH2 TIP3 5904 15.245 -17.782 -15.669 1.00 0.00 WAT +ATOM 24021 H1 TIP3 5904 15.863 -18.256 -15.088 1.00 0.00 WAT +ATOM 24022 H2 TIP3 5904 15.354 -18.267 -16.504 1.00 0.00 WAT +ATOM 24023 OH2 TIP3 5905 20.646 -16.390 -16.244 1.00 0.00 WAT +ATOM 24024 H1 TIP3 5905 21.350 -16.931 -15.834 1.00 0.00 WAT +ATOM 24025 H2 TIP3 5905 20.135 -17.070 -16.719 1.00 0.00 WAT +ATOM 24026 OH2 TIP3 5906 31.752 -19.897 -10.630 1.00 0.00 WAT +ATOM 24027 H1 TIP3 5906 31.121 -19.227 -10.950 1.00 0.00 WAT +ATOM 24028 H2 TIP3 5906 31.399 -20.060 -9.746 1.00 0.00 WAT +ATOM 24029 OH2 TIP3 5907 17.336 -21.709 -11.984 1.00 0.00 WAT +ATOM 24030 H1 TIP3 5907 16.965 -21.198 -12.719 1.00 0.00 WAT +ATOM 24031 H2 TIP3 5907 16.660 -21.547 -11.296 1.00 0.00 WAT +ATOM 24032 OH2 TIP3 5908 24.970 -11.895 -18.707 1.00 0.00 WAT +ATOM 24033 H1 TIP3 5908 24.466 -12.207 -19.462 1.00 0.00 WAT +ATOM 24034 H2 TIP3 5908 24.466 -11.107 -18.433 1.00 0.00 WAT +ATOM 24035 OH2 TIP3 5909 20.133 -13.811 -12.034 1.00 0.00 WAT +ATOM 24036 H1 TIP3 5909 19.651 -13.125 -11.516 1.00 0.00 WAT +ATOM 24037 H2 TIP3 5909 20.872 -13.288 -12.394 1.00 0.00 WAT +ATOM 24038 OH2 TIP3 5910 28.228 -21.083 -15.846 1.00 0.00 WAT +ATOM 24039 H1 TIP3 5910 27.985 -21.817 -15.255 1.00 0.00 WAT +ATOM 24040 H2 TIP3 5910 28.745 -20.525 -15.241 1.00 0.00 WAT +ATOM 24041 OH2 TIP3 5911 16.977 -19.677 -14.084 1.00 0.00 WAT +ATOM 24042 H1 TIP3 5911 17.608 -19.103 -13.597 1.00 0.00 WAT +ATOM 24043 H2 TIP3 5911 17.568 -20.034 -14.782 1.00 0.00 WAT +ATOM 24044 OH2 TIP3 5912 18.848 -11.794 -10.743 1.00 0.00 WAT +ATOM 24045 H1 TIP3 5912 18.774 -10.899 -11.093 1.00 0.00 WAT +ATOM 24046 H2 TIP3 5912 18.084 -11.858 -10.160 1.00 0.00 WAT +ATOM 24047 OH2 TIP3 5913 14.167 -12.401 -20.350 1.00 0.00 WAT +ATOM 24048 H1 TIP3 5913 14.152 -11.856 -21.151 1.00 0.00 WAT +ATOM 24049 H2 TIP3 5913 14.385 -11.739 -19.657 1.00 0.00 WAT +ATOM 24050 OH2 TIP3 5914 28.406 -21.937 -11.942 1.00 0.00 WAT +ATOM 24051 H1 TIP3 5914 27.615 -21.620 -12.417 1.00 0.00 WAT +ATOM 24052 H2 TIP3 5914 29.090 -21.851 -12.631 1.00 0.00 WAT +ATOM 24053 OH2 TIP3 5915 21.507 -24.229 -14.959 1.00 0.00 WAT +ATOM 24054 H1 TIP3 5915 21.286 -25.177 -14.993 1.00 0.00 WAT +ATOM 24055 H2 TIP3 5915 20.691 -23.848 -14.570 1.00 0.00 WAT +ATOM 24056 OH2 TIP3 5916 26.306 -8.849 -17.115 1.00 0.00 WAT +ATOM 24057 H1 TIP3 5916 26.803 -9.684 -17.154 1.00 0.00 WAT +ATOM 24058 H2 TIP3 5916 27.017 -8.201 -16.979 1.00 0.00 WAT +ATOM 24059 OH2 TIP3 5917 27.928 -11.141 -18.464 1.00 0.00 WAT +ATOM 24060 H1 TIP3 5917 27.143 -11.510 -18.896 1.00 0.00 WAT +ATOM 24061 H2 TIP3 5917 27.877 -11.578 -17.591 1.00 0.00 WAT +ATOM 24062 OH2 TIP3 5918 29.410 -11.913 -9.829 1.00 0.00 WAT +ATOM 24063 H1 TIP3 5918 29.274 -12.640 -10.454 1.00 0.00 WAT +ATOM 24064 H2 TIP3 5918 29.344 -11.189 -10.480 1.00 0.00 WAT +ATOM 24065 OH2 TIP3 5919 23.602 -15.308 -20.166 1.00 0.00 WAT +ATOM 24066 H1 TIP3 5919 22.942 -14.682 -20.520 1.00 0.00 WAT +ATOM 24067 H2 TIP3 5919 24.321 -15.229 -20.811 1.00 0.00 WAT +ATOM 24068 OH2 TIP3 5920 23.901 -17.076 -23.119 1.00 0.00 WAT +ATOM 24069 H1 TIP3 5920 24.581 -16.793 -22.481 1.00 0.00 WAT +ATOM 24070 H2 TIP3 5920 24.409 -17.681 -23.675 1.00 0.00 WAT +ATOM 24071 OH2 TIP3 5921 31.196 -16.020 -11.911 1.00 0.00 WAT +ATOM 24072 H1 TIP3 5921 30.422 -15.415 -11.857 1.00 0.00 WAT +ATOM 24073 H2 TIP3 5921 31.638 -15.641 -12.705 1.00 0.00 WAT +ATOM 24074 OH2 TIP3 5922 27.130 -15.312 -19.088 1.00 0.00 WAT +ATOM 24075 H1 TIP3 5922 26.441 -15.082 -18.419 1.00 0.00 WAT +ATOM 24076 H2 TIP3 5922 27.736 -15.846 -18.542 1.00 0.00 WAT +ATOM 24077 OH2 TIP3 5923 26.945 -16.750 -10.252 1.00 0.00 WAT +ATOM 24078 H1 TIP3 5923 27.000 -15.926 -9.739 1.00 0.00 WAT +ATOM 24079 H2 TIP3 5923 26.310 -16.457 -10.929 1.00 0.00 WAT +ATOM 24080 OH2 TIP3 5924 18.718 -14.520 -17.310 1.00 0.00 WAT +ATOM 24081 H1 TIP3 5924 18.417 -14.975 -18.118 1.00 0.00 WAT +ATOM 24082 H2 TIP3 5924 19.371 -15.148 -16.953 1.00 0.00 WAT +ATOM 24083 OH2 TIP3 5925 20.165 -11.135 -14.608 1.00 0.00 WAT +ATOM 24084 H1 TIP3 5925 20.148 -11.554 -15.475 1.00 0.00 WAT +ATOM 24085 H2 TIP3 5925 20.961 -11.542 -14.211 1.00 0.00 WAT +ATOM 24086 OH2 TIP3 5926 19.245 -15.727 -13.846 1.00 0.00 WAT +ATOM 24087 H1 TIP3 5926 19.856 -15.705 -14.606 1.00 0.00 WAT +ATOM 24088 H2 TIP3 5926 19.622 -15.042 -13.255 1.00 0.00 WAT +ATOM 24089 OH2 TIP3 5927 25.192 -10.180 -13.339 1.00 0.00 WAT +ATOM 24090 H1 TIP3 5927 25.578 -9.498 -12.766 1.00 0.00 WAT +ATOM 24091 H2 TIP3 5927 25.374 -11.002 -12.862 1.00 0.00 WAT +ATOM 24092 OH2 TIP3 5928 26.114 -15.857 -21.629 1.00 0.00 WAT +ATOM 24093 H1 TIP3 5928 26.543 -15.563 -20.795 1.00 0.00 WAT +ATOM 24094 H2 TIP3 5928 26.572 -15.281 -22.286 1.00 0.00 WAT +ATOM 24095 OH2 TIP3 5929 23.507 -9.254 -18.072 1.00 0.00 WAT +ATOM 24096 H1 TIP3 5929 24.042 -9.007 -17.305 1.00 0.00 WAT +ATOM 24097 H2 TIP3 5929 23.036 -8.433 -18.277 1.00 0.00 WAT +ATOM 24098 OH2 TIP3 5930 29.511 -24.097 -22.132 1.00 0.00 WAT +ATOM 24099 H1 TIP3 5930 28.630 -24.018 -21.717 1.00 0.00 WAT +ATOM 24100 H2 TIP3 5930 29.851 -23.196 -22.025 1.00 0.00 WAT +ATOM 24101 OH2 TIP3 5931 17.660 -15.766 -19.776 1.00 0.00 WAT +ATOM 24102 H1 TIP3 5931 17.418 -15.008 -20.331 1.00 0.00 WAT +ATOM 24103 H2 TIP3 5931 17.013 -16.433 -20.040 1.00 0.00 WAT +ATOM 24104 OH2 TIP3 5932 30.979 -9.897 -23.759 1.00 0.00 WAT +ATOM 24105 H1 TIP3 5932 31.100 -9.024 -23.326 1.00 0.00 WAT +ATOM 24106 H2 TIP3 5932 31.760 -10.380 -23.420 1.00 0.00 WAT +ATOM 24107 OH2 TIP3 5933 13.565 -10.137 -14.517 1.00 0.00 WAT +ATOM 24108 H1 TIP3 5933 14.449 -10.436 -14.272 1.00 0.00 WAT +ATOM 24109 H2 TIP3 5933 13.345 -9.509 -13.814 1.00 0.00 WAT +ATOM 24110 OH2 TIP3 5934 32.109 -9.540 -8.263 1.00 0.00 WAT +ATOM 24111 H1 TIP3 5934 31.997 -10.458 -8.561 1.00 0.00 WAT +ATOM 24112 H2 TIP3 5934 31.185 -9.302 -8.035 1.00 0.00 WAT +ATOM 24113 OH2 TIP3 5935 23.044 -10.214 -9.586 1.00 0.00 WAT +ATOM 24114 H1 TIP3 5935 23.196 -9.563 -8.881 1.00 0.00 WAT +ATOM 24115 H2 TIP3 5935 22.206 -10.600 -9.317 1.00 0.00 WAT +ATOM 24116 OH2 TIP3 5936 23.120 -6.503 -19.577 1.00 0.00 WAT +ATOM 24117 H1 TIP3 5936 23.098 -6.385 -20.540 1.00 0.00 WAT +ATOM 24118 H2 TIP3 5936 23.081 -5.594 -19.243 1.00 0.00 WAT +ATOM 24119 OH2 TIP3 5937 16.862 -7.597 -18.027 1.00 0.00 WAT +ATOM 24120 H1 TIP3 5937 17.066 -7.871 -17.108 1.00 0.00 WAT +ATOM 24121 H2 TIP3 5937 15.921 -7.811 -18.067 1.00 0.00 WAT +ATOM 24122 OH2 TIP3 5938 26.418 -7.180 -22.445 1.00 0.00 WAT +ATOM 24123 H1 TIP3 5938 26.922 -7.893 -22.860 1.00 0.00 WAT +ATOM 24124 H2 TIP3 5938 26.348 -7.502 -21.520 1.00 0.00 WAT +ATOM 24125 OH2 TIP3 5939 25.778 -7.682 -19.653 1.00 0.00 WAT +ATOM 24126 H1 TIP3 5939 24.834 -7.533 -19.460 1.00 0.00 WAT +ATOM 24127 H2 TIP3 5939 25.987 -8.311 -18.932 1.00 0.00 WAT +ATOM 24128 OH2 TIP3 5940 28.957 -18.203 -7.911 1.00 0.00 WAT +ATOM 24129 H1 TIP3 5940 28.381 -17.808 -8.581 1.00 0.00 WAT +ATOM 24130 H2 TIP3 5940 28.984 -19.132 -8.211 1.00 0.00 WAT +ATOM 24131 OH2 TIP3 5941 19.084 -23.088 -14.021 1.00 0.00 WAT +ATOM 24132 H1 TIP3 5941 18.250 -23.134 -14.523 1.00 0.00 WAT +ATOM 24133 H2 TIP3 5941 18.888 -22.341 -13.435 1.00 0.00 WAT +ATOM 24134 OH2 TIP3 5942 23.464 -23.519 -10.406 1.00 0.00 WAT +ATOM 24135 H1 TIP3 5942 23.987 -24.024 -9.754 1.00 0.00 WAT +ATOM 24136 H2 TIP3 5942 22.555 -23.840 -10.259 1.00 0.00 WAT +ATOM 24137 OH2 TIP3 5943 26.645 -19.699 -9.844 1.00 0.00 WAT +ATOM 24138 H1 TIP3 5943 26.002 -19.866 -9.130 1.00 0.00 WAT +ATOM 24139 H2 TIP3 5943 26.537 -18.750 -10.027 1.00 0.00 WAT +ATOM 24140 OH2 TIP3 5944 27.538 -14.708 -23.714 1.00 0.00 WAT +ATOM 24141 H1 TIP3 5944 27.438 -15.007 -24.631 1.00 0.00 WAT +ATOM 24142 H2 TIP3 5944 28.500 -14.552 -23.662 1.00 0.00 WAT +ATOM 24143 OH2 TIP3 5945 23.297 -21.008 -23.099 1.00 0.00 WAT +ATOM 24144 H1 TIP3 5945 22.786 -21.121 -22.283 1.00 0.00 WAT +ATOM 24145 H2 TIP3 5945 22.865 -21.670 -23.666 1.00 0.00 WAT +ATOM 24146 OH2 TIP3 5946 18.909 -18.311 -12.559 1.00 0.00 WAT +ATOM 24147 H1 TIP3 5946 18.323 -18.181 -11.791 1.00 0.00 WAT +ATOM 24148 H2 TIP3 5946 19.023 -17.396 -12.888 1.00 0.00 WAT +ATOM 24149 OH2 TIP3 5947 18.887 -18.215 -17.747 1.00 0.00 WAT +ATOM 24150 H1 TIP3 5947 17.929 -18.318 -17.900 1.00 0.00 WAT +ATOM 24151 H2 TIP3 5947 19.234 -18.428 -18.634 1.00 0.00 WAT +ATOM 24152 OH2 TIP3 5948 24.482 -17.667 -18.967 1.00 0.00 WAT +ATOM 24153 H1 TIP3 5948 24.080 -16.828 -19.280 1.00 0.00 WAT +ATOM 24154 H2 TIP3 5948 25.177 -17.802 -19.628 1.00 0.00 WAT +ATOM 24155 OH2 TIP3 5949 23.702 -17.419 -7.571 1.00 0.00 WAT +ATOM 24156 H1 TIP3 5949 23.131 -18.134 -7.231 1.00 0.00 WAT +ATOM 24157 H2 TIP3 5949 24.556 -17.609 -7.138 1.00 0.00 WAT +ATOM 24158 OH2 TIP3 5950 25.339 -18.265 -16.178 1.00 0.00 WAT +ATOM 24159 H1 TIP3 5950 25.055 -17.688 -16.913 1.00 0.00 WAT +ATOM 24160 H2 TIP3 5950 25.553 -19.077 -16.676 1.00 0.00 WAT +ATOM 24161 OH2 TIP3 5951 16.389 -18.143 -10.767 1.00 0.00 WAT +ATOM 24162 H1 TIP3 5951 16.539 -17.813 -9.872 1.00 0.00 WAT +ATOM 24163 H2 TIP3 5951 15.938 -18.987 -10.587 1.00 0.00 WAT +ATOM 24164 OH2 TIP3 5952 19.791 -20.600 -24.226 1.00 0.00 WAT +ATOM 24165 H1 TIP3 5952 19.399 -20.912 -23.385 1.00 0.00 WAT +ATOM 24166 H2 TIP3 5952 19.016 -20.245 -24.682 1.00 0.00 WAT +ATOM 24167 OH2 TIP3 5953 13.148 -20.646 -17.172 1.00 0.00 WAT +ATOM 24168 H1 TIP3 5953 13.732 -20.662 -16.390 1.00 0.00 WAT +ATOM 24169 H2 TIP3 5953 13.677 -21.076 -17.860 1.00 0.00 WAT +ATOM 24170 OH2 TIP3 5954 14.746 -20.239 -21.420 1.00 0.00 WAT +ATOM 24171 H1 TIP3 5954 15.284 -19.757 -22.084 1.00 0.00 WAT +ATOM 24172 H2 TIP3 5954 14.050 -19.588 -21.245 1.00 0.00 WAT +ATOM 24173 OH2 TIP3 5955 24.408 -16.585 -11.737 1.00 0.00 WAT +ATOM 24174 H1 TIP3 5955 24.870 -17.307 -12.218 1.00 0.00 WAT +ATOM 24175 H2 TIP3 5955 24.093 -17.051 -10.949 1.00 0.00 WAT +ATOM 24176 OH2 TIP3 5956 21.646 -20.643 -16.726 1.00 0.00 WAT +ATOM 24177 H1 TIP3 5956 20.708 -20.663 -16.472 1.00 0.00 WAT +ATOM 24178 H2 TIP3 5956 22.081 -20.805 -15.870 1.00 0.00 WAT +ATOM 24179 OH2 TIP3 5957 16.227 -19.382 -18.059 1.00 0.00 WAT +ATOM 24180 H1 TIP3 5957 15.392 -19.140 -18.499 1.00 0.00 WAT +ATOM 24181 H2 TIP3 5957 16.513 -20.181 -18.540 1.00 0.00 WAT +ATOM 24182 OH2 TIP3 5958 19.868 -19.083 -20.366 1.00 0.00 WAT +ATOM 24183 H1 TIP3 5958 20.832 -18.980 -20.296 1.00 0.00 WAT +ATOM 24184 H2 TIP3 5958 19.613 -18.468 -21.074 1.00 0.00 WAT +ATOM 24185 OH2 TIP3 5959 26.034 -21.442 -13.686 1.00 0.00 WAT +ATOM 24186 H1 TIP3 5959 25.396 -21.469 -12.940 1.00 0.00 WAT +ATOM 24187 H2 TIP3 5959 25.483 -21.806 -14.397 1.00 0.00 WAT +ATOM 24188 OH2 TIP3 5960 18.306 -17.799 -22.585 1.00 0.00 WAT +ATOM 24189 H1 TIP3 5960 17.731 -18.091 -23.312 1.00 0.00 WAT +ATOM 24190 H2 TIP3 5960 19.128 -17.628 -23.074 1.00 0.00 WAT +ATOM 24191 OH2 TIP3 5961 29.081 -5.743 -6.955 1.00 0.00 WAT +ATOM 24192 H1 TIP3 5961 29.087 -5.273 -7.800 1.00 0.00 WAT +ATOM 24193 H2 TIP3 5961 29.725 -5.253 -6.439 1.00 0.00 WAT +ATOM 24194 OH2 TIP3 5962 22.664 -18.097 -14.914 1.00 0.00 WAT +ATOM 24195 H1 TIP3 5962 23.433 -18.514 -15.332 1.00 0.00 WAT +ATOM 24196 H2 TIP3 5962 22.513 -18.680 -14.143 1.00 0.00 WAT +ATOM 24197 OH2 TIP3 5963 17.965 -21.661 -18.727 1.00 0.00 WAT +ATOM 24198 H1 TIP3 5963 17.416 -22.446 -18.565 1.00 0.00 WAT +ATOM 24199 H2 TIP3 5963 18.779 -22.045 -19.081 1.00 0.00 WAT +ATOM 24200 OH2 TIP3 5964 21.642 -19.628 -12.643 1.00 0.00 WAT +ATOM 24201 H1 TIP3 5964 20.878 -19.031 -12.602 1.00 0.00 WAT +ATOM 24202 H2 TIP3 5964 22.152 -19.380 -11.844 1.00 0.00 WAT +ATOM 24203 OH2 TIP3 5965 21.796 -13.249 -20.755 1.00 0.00 WAT +ATOM 24204 H1 TIP3 5965 21.022 -13.744 -21.093 1.00 0.00 WAT +ATOM 24205 H2 TIP3 5965 21.591 -13.174 -19.792 1.00 0.00 WAT +ATOM 24206 OH2 TIP3 5966 29.077 -14.267 -11.996 1.00 0.00 WAT +ATOM 24207 H1 TIP3 5966 29.418 -13.444 -12.422 1.00 0.00 WAT +ATOM 24208 H2 TIP3 5966 28.191 -14.297 -12.403 1.00 0.00 WAT +ATOM 24209 OH2 TIP3 5967 25.972 -20.337 -23.067 1.00 0.00 WAT +ATOM 24210 H1 TIP3 5967 24.994 -20.444 -23.013 1.00 0.00 WAT +ATOM 24211 H2 TIP3 5967 26.160 -19.696 -22.347 1.00 0.00 WAT +ATOM 24212 OH2 TIP3 5968 23.262 -13.294 -9.402 1.00 0.00 WAT +ATOM 24213 H1 TIP3 5968 23.076 -13.593 -8.499 1.00 0.00 WAT +ATOM 24214 H2 TIP3 5968 23.233 -12.337 -9.308 1.00 0.00 WAT +ATOM 24215 OH2 TIP3 5969 26.640 -18.603 -20.978 1.00 0.00 WAT +ATOM 24216 H1 TIP3 5969 27.484 -18.749 -20.504 1.00 0.00 WAT +ATOM 24217 H2 TIP3 5969 26.735 -17.686 -21.298 1.00 0.00 WAT +ATOM 24218 OH2 TIP3 5970 16.795 -14.005 -14.986 1.00 0.00 WAT +ATOM 24219 H1 TIP3 5970 17.466 -14.104 -15.680 1.00 0.00 WAT +ATOM 24220 H2 TIP3 5970 16.966 -14.776 -14.418 1.00 0.00 WAT +ATOM 24221 OH2 TIP3 5971 24.181 -11.870 -21.875 1.00 0.00 WAT +ATOM 24222 H1 TIP3 5971 23.948 -11.022 -21.441 1.00 0.00 WAT +ATOM 24223 H2 TIP3 5971 23.456 -12.436 -21.557 1.00 0.00 WAT +ATOM 24224 OH2 TIP3 5972 21.056 -15.915 -7.378 1.00 0.00 WAT +ATOM 24225 H1 TIP3 5972 20.728 -16.102 -8.257 1.00 0.00 WAT +ATOM 24226 H2 TIP3 5972 21.992 -16.133 -7.443 1.00 0.00 WAT +ATOM 24227 OH2 TIP3 5973 25.848 -10.859 -9.765 1.00 0.00 WAT +ATOM 24228 H1 TIP3 5973 24.984 -10.545 -10.079 1.00 0.00 WAT +ATOM 24229 H2 TIP3 5973 25.963 -10.339 -8.957 1.00 0.00 WAT +ATOM 24230 OH2 TIP3 5974 31.231 -18.620 -21.195 1.00 0.00 WAT +ATOM 24231 H1 TIP3 5974 30.637 -18.773 -21.951 1.00 0.00 WAT +ATOM 24232 H2 TIP3 5974 31.362 -17.655 -21.283 1.00 0.00 WAT +ATOM 24233 OH2 TIP3 5975 31.647 -12.580 -8.403 1.00 0.00 WAT +ATOM 24234 H1 TIP3 5975 30.746 -12.259 -8.633 1.00 0.00 WAT +ATOM 24235 H2 TIP3 5975 32.010 -12.717 -9.300 1.00 0.00 WAT +ATOM 24236 OH2 TIP3 5976 29.319 -10.016 -21.217 1.00 0.00 WAT +ATOM 24237 H1 TIP3 5976 29.067 -10.630 -20.504 1.00 0.00 WAT +ATOM 24238 H2 TIP3 5976 30.071 -10.457 -21.617 1.00 0.00 WAT +ATOM 24239 OH2 TIP3 5977 26.670 -14.650 -13.649 1.00 0.00 WAT +ATOM 24240 H1 TIP3 5977 25.744 -14.790 -13.920 1.00 0.00 WAT +ATOM 24241 H2 TIP3 5977 27.129 -15.326 -14.179 1.00 0.00 WAT +ATOM 24242 OH2 TIP3 5978 19.292 -10.575 -17.753 1.00 0.00 WAT +ATOM 24243 H1 TIP3 5978 19.738 -9.714 -17.754 1.00 0.00 WAT +ATOM 24244 H2 TIP3 5978 18.372 -10.314 -17.881 1.00 0.00 WAT +ATOM 24245 OH2 TIP3 5979 15.173 -15.746 -22.906 1.00 0.00 WAT +ATOM 24246 H1 TIP3 5979 15.863 -15.141 -22.577 1.00 0.00 WAT +ATOM 24247 H2 TIP3 5979 14.400 -15.173 -22.874 1.00 0.00 WAT +ATOM 24248 OH2 TIP3 5980 21.137 -12.866 -18.090 1.00 0.00 WAT +ATOM 24249 H1 TIP3 5980 20.837 -11.959 -17.914 1.00 0.00 WAT +ATOM 24250 H2 TIP3 5980 20.458 -13.378 -17.625 1.00 0.00 WAT +ATOM 24251 OH2 TIP3 5981 21.397 -8.711 -11.794 1.00 0.00 WAT +ATOM 24252 H1 TIP3 5981 21.911 -7.927 -12.053 1.00 0.00 WAT +ATOM 24253 H2 TIP3 5981 22.023 -9.169 -11.215 1.00 0.00 WAT +ATOM 24254 OH2 TIP3 5982 19.763 -7.645 -18.502 1.00 0.00 WAT +ATOM 24255 H1 TIP3 5982 18.807 -7.538 -18.370 1.00 0.00 WAT +ATOM 24256 H2 TIP3 5982 20.098 -6.770 -18.214 1.00 0.00 WAT +ATOM 24257 OH2 TIP3 5983 24.683 -12.920 -12.133 1.00 0.00 WAT +ATOM 24258 H1 TIP3 5983 24.439 -13.135 -11.218 1.00 0.00 WAT +ATOM 24259 H2 TIP3 5983 25.473 -13.463 -12.275 1.00 0.00 WAT +ATOM 24260 OH2 TIP3 5984 26.899 -11.470 -23.229 1.00 0.00 WAT +ATOM 24261 H1 TIP3 5984 27.327 -11.912 -22.472 1.00 0.00 WAT +ATOM 24262 H2 TIP3 5984 25.973 -11.645 -22.987 1.00 0.00 WAT +ATOM 24263 OH2 TIP3 5985 27.600 -8.170 -9.483 1.00 0.00 WAT +ATOM 24264 H1 TIP3 5985 26.905 -8.620 -9.986 1.00 0.00 WAT +ATOM 24265 H2 TIP3 5985 27.692 -7.357 -10.008 1.00 0.00 WAT +ATOM 24266 OH2 TIP3 5986 31.608 -7.307 -22.714 1.00 0.00 WAT +ATOM 24267 H1 TIP3 5986 32.326 -6.664 -22.858 1.00 0.00 WAT +ATOM 24268 H2 TIP3 5986 30.864 -6.682 -22.641 1.00 0.00 WAT +ATOM 24269 OH2 TIP3 5987 15.321 -20.861 -10.112 1.00 0.00 WAT +ATOM 24270 H1 TIP3 5987 14.388 -20.627 -10.190 1.00 0.00 WAT +ATOM 24271 H2 TIP3 5987 15.271 -21.706 -9.631 1.00 0.00 WAT +ATOM 24272 OH2 TIP3 5988 27.850 -13.033 -20.929 1.00 0.00 WAT +ATOM 24273 H1 TIP3 5988 27.548 -13.645 -20.236 1.00 0.00 WAT +ATOM 24274 H2 TIP3 5988 28.785 -12.923 -20.694 1.00 0.00 WAT +ATOM 24275 OH2 TIP3 5989 21.120 -10.522 -24.644 1.00 0.00 WAT +ATOM 24276 H1 TIP3 5989 21.409 -11.327 -25.110 1.00 0.00 WAT +ATOM 24277 H2 TIP3 5989 20.708 -10.898 -23.846 1.00 0.00 WAT +ATOM 24278 OH2 TIP3 5990 19.973 -10.988 -21.931 1.00 0.00 WAT +ATOM 24279 H1 TIP3 5990 20.460 -11.519 -21.284 1.00 0.00 WAT +ATOM 24280 H2 TIP3 5990 20.110 -10.079 -21.588 1.00 0.00 WAT +ATOM 24281 OH2 TIP3 5991 16.673 -13.487 -21.498 1.00 0.00 WAT +ATOM 24282 H1 TIP3 5991 15.986 -13.115 -20.919 1.00 0.00 WAT +ATOM 24283 H2 TIP3 5991 17.183 -12.691 -21.727 1.00 0.00 WAT +ATOM 24284 OH2 TIP3 5992 24.472 -21.096 -11.503 1.00 0.00 WAT +ATOM 24285 H1 TIP3 5992 25.077 -20.816 -10.802 1.00 0.00 WAT +ATOM 24286 H2 TIP3 5992 23.976 -21.825 -11.084 1.00 0.00 WAT +ATOM 24287 OH2 TIP3 5993 25.158 -21.668 -20.241 1.00 0.00 WAT +ATOM 24288 H1 TIP3 5993 25.267 -21.065 -20.987 1.00 0.00 WAT +ATOM 24289 H2 TIP3 5993 25.549 -21.156 -19.509 1.00 0.00 WAT +ATOM 24290 OH2 TIP3 5994 22.891 -9.397 -21.317 1.00 0.00 WAT +ATOM 24291 H1 TIP3 5994 22.103 -8.886 -21.068 1.00 0.00 WAT +ATOM 24292 H2 TIP3 5994 23.269 -8.853 -22.017 1.00 0.00 WAT +ATOM 24293 OH2 TIP3 5995 22.534 -19.660 -19.299 1.00 0.00 WAT +ATOM 24294 H1 TIP3 5995 23.272 -19.034 -19.138 1.00 0.00 WAT +ATOM 24295 H2 TIP3 5995 22.228 -19.832 -18.387 1.00 0.00 WAT +ATOM 24296 OH2 TIP3 5996 22.894 -18.725 -10.145 1.00 0.00 WAT +ATOM 24297 H1 TIP3 5996 22.881 -18.189 -9.334 1.00 0.00 WAT +ATOM 24298 H2 TIP3 5996 23.425 -19.482 -9.866 1.00 0.00 WAT +ATOM 24299 OH2 TIP3 5997 23.068 -22.638 -18.373 1.00 0.00 WAT +ATOM 24300 H1 TIP3 5997 22.897 -21.976 -17.674 1.00 0.00 WAT +ATOM 24301 H2 TIP3 5997 23.831 -22.232 -18.828 1.00 0.00 WAT +ATOM 24302 OH2 TIP3 5998 20.110 -8.285 -21.291 1.00 0.00 WAT +ATOM 24303 H1 TIP3 5998 20.041 -7.452 -21.803 1.00 0.00 WAT +ATOM 24304 H2 TIP3 5998 19.965 -7.971 -20.375 1.00 0.00 WAT +ATOM 24305 OH2 TIP3 5999 18.847 -21.610 -21.832 1.00 0.00 WAT +ATOM 24306 H1 TIP3 5999 18.847 -20.862 -21.209 1.00 0.00 WAT +ATOM 24307 H2 TIP3 5999 19.651 -22.088 -21.549 1.00 0.00 WAT +ATOM 24308 OH2 TIP3 6000 29.189 -20.705 -9.269 1.00 0.00 WAT +ATOM 24309 H1 TIP3 6000 28.225 -20.580 -9.388 1.00 0.00 WAT +ATOM 24310 H2 TIP3 6000 29.391 -20.998 -10.172 1.00 0.00 WAT +ATOM 24311 OH2 TIP3 6001 27.687 -16.896 -15.273 1.00 0.00 WAT +ATOM 24312 H1 TIP3 6001 26.842 -17.334 -15.479 1.00 0.00 WAT +ATOM 24313 H2 TIP3 6001 28.158 -17.590 -14.762 1.00 0.00 WAT +ATOM 24314 OH2 TIP3 6002 17.232 -10.746 -22.776 1.00 0.00 WAT +ATOM 24315 H1 TIP3 6002 17.949 -10.244 -22.351 1.00 0.00 WAT +ATOM 24316 H2 TIP3 6002 17.759 -11.265 -23.404 1.00 0.00 WAT +ATOM 24317 OH2 TIP3 6003 15.308 -18.520 -23.534 1.00 0.00 WAT +ATOM 24318 H1 TIP3 6003 15.422 -17.576 -23.316 1.00 0.00 WAT +ATOM 24319 H2 TIP3 6003 14.516 -18.524 -24.081 1.00 0.00 WAT +ATOM 24320 OH2 TIP3 6004 28.368 -7.850 -13.768 1.00 0.00 WAT +ATOM 24321 H1 TIP3 6004 28.641 -7.046 -14.239 1.00 0.00 WAT +ATOM 24322 H2 TIP3 6004 29.189 -8.341 -13.642 1.00 0.00 WAT +ATOM 24323 OH2 TIP3 6005 16.317 -23.527 -14.851 1.00 0.00 WAT +ATOM 24324 H1 TIP3 6005 16.118 -23.548 -15.808 1.00 0.00 WAT +ATOM 24325 H2 TIP3 6005 15.966 -24.381 -14.537 1.00 0.00 WAT +ATOM 24326 OH2 TIP3 6006 15.002 -10.211 -18.761 1.00 0.00 WAT +ATOM 24327 H1 TIP3 6006 14.406 -9.569 -18.354 1.00 0.00 WAT +ATOM 24328 H2 TIP3 6006 15.653 -9.634 -19.181 1.00 0.00 WAT +ATOM 24329 OH2 TIP3 6007 23.343 -8.795 -24.178 1.00 0.00 WAT +ATOM 24330 H1 TIP3 6007 22.563 -9.391 -24.200 1.00 0.00 WAT +ATOM 24331 H2 TIP3 6007 24.021 -9.408 -24.497 1.00 0.00 WAT +ATOM 24332 OH2 TIP3 6008 25.384 -9.889 -6.901 1.00 0.00 WAT +ATOM 24333 H1 TIP3 6008 25.423 -10.823 -6.676 1.00 0.00 WAT +ATOM 24334 H2 TIP3 6008 26.089 -9.487 -6.361 1.00 0.00 WAT +ATOM 24335 OH2 TIP3 6009 28.136 -8.970 -24.454 1.00 0.00 WAT +ATOM 24336 H1 TIP3 6009 28.259 -9.606 -23.729 1.00 0.00 WAT +ATOM 24337 H2 TIP3 6009 29.035 -8.652 -24.600 1.00 0.00 WAT +ATOM 24338 OH2 TIP3 6010 18.762 -13.092 -24.289 1.00 0.00 WAT +ATOM 24339 H1 TIP3 6010 18.929 -13.673 -23.526 1.00 0.00 WAT +ATOM 24340 H2 TIP3 6010 19.628 -13.128 -24.736 1.00 0.00 WAT +ATOM 24341 OH2 TIP3 6011 24.032 -11.730 -24.675 1.00 0.00 WAT +ATOM 24342 H1 TIP3 6011 23.962 -11.786 -23.702 1.00 0.00 WAT +ATOM 24343 H2 TIP3 6011 23.952 -12.683 -24.897 1.00 0.00 WAT +ATOM 24344 OH2 TIP3 6012 26.570 -13.711 -9.577 1.00 0.00 WAT +ATOM 24345 H1 TIP3 6012 27.306 -13.155 -9.866 1.00 0.00 WAT +ATOM 24346 H2 TIP3 6012 25.877 -13.029 -9.522 1.00 0.00 WAT +ATOM 24347 OH2 TIP3 6013 19.805 -14.977 -21.979 1.00 0.00 WAT +ATOM 24348 H1 TIP3 6013 19.248 -15.500 -21.384 1.00 0.00 WAT +ATOM 24349 H2 TIP3 6013 20.130 -15.669 -22.592 1.00 0.00 WAT +ATOM 24350 OH2 TIP3 6014 18.966 -16.993 -9.694 1.00 0.00 WAT +ATOM 24351 H1 TIP3 6014 18.705 -16.196 -9.216 1.00 0.00 WAT +ATOM 24352 H2 TIP3 6014 19.747 -16.695 -10.199 1.00 0.00 WAT +ATOM 24353 OH2 TIP3 6015 20.813 -16.968 -23.689 1.00 0.00 WAT +ATOM 24354 H1 TIP3 6015 20.748 -16.900 -24.659 1.00 0.00 WAT +ATOM 24355 H2 TIP3 6015 21.779 -16.994 -23.558 1.00 0.00 WAT +ATOM 24356 OH2 TIP3 6016 24.781 -14.352 -6.460 1.00 0.00 WAT +ATOM 24357 H1 TIP3 6016 25.581 -14.849 -6.676 1.00 0.00 WAT +ATOM 24358 H2 TIP3 6016 24.175 -15.031 -6.152 1.00 0.00 WAT +ATOM 24359 OH2 TIP3 6017 30.220 -14.514 -24.308 1.00 0.00 WAT +ATOM 24360 H1 TIP3 6017 30.222 -14.906 -25.199 1.00 0.00 WAT +ATOM 24361 H2 TIP3 6017 30.457 -13.600 -24.505 1.00 0.00 WAT +ATOM 24362 OH2 TIP3 6018 19.558 -19.874 -8.524 1.00 0.00 WAT +ATOM 24363 H1 TIP3 6018 19.678 -20.520 -9.241 1.00 0.00 WAT +ATOM 24364 H2 TIP3 6018 19.387 -19.054 -9.013 1.00 0.00 WAT +ATOM 24365 OH2 TIP3 6019 20.001 -21.483 -11.107 1.00 0.00 WAT +ATOM 24366 H1 TIP3 6019 20.518 -20.927 -11.722 1.00 0.00 WAT +ATOM 24367 H2 TIP3 6019 19.086 -21.404 -11.442 1.00 0.00 WAT +ATOM 24368 OH2 TIP3 6020 21.468 -16.021 -10.802 1.00 0.00 WAT +ATOM 24369 H1 TIP3 6020 22.357 -16.081 -11.184 1.00 0.00 WAT +ATOM 24370 H2 TIP3 6020 21.250 -15.091 -10.983 1.00 0.00 WAT +ATOM 24371 OH2 TIP3 6021 26.109 -18.040 -5.955 1.00 0.00 WAT +ATOM 24372 H1 TIP3 6021 26.285 -18.976 -5.774 1.00 0.00 WAT +ATOM 24373 H2 TIP3 6021 27.003 -17.676 -6.020 1.00 0.00 WAT +ATOM 24374 OH2 TIP3 6022 27.252 -15.321 -7.448 1.00 0.00 WAT +ATOM 24375 H1 TIP3 6022 26.825 -14.728 -8.104 1.00 0.00 WAT +ATOM 24376 H2 TIP3 6022 28.140 -15.391 -7.861 1.00 0.00 WAT +ATOM 24377 OH2 TIP3 6023 17.827 -18.152 -6.568 1.00 0.00 WAT +ATOM 24378 H1 TIP3 6023 17.124 -18.806 -6.691 1.00 0.00 WAT +ATOM 24379 H2 TIP3 6023 18.569 -18.488 -7.078 1.00 0.00 WAT +ATOM 24380 OH2 TIP3 6024 20.719 -24.140 -10.763 1.00 0.00 WAT +ATOM 24381 H1 TIP3 6024 20.551 -23.184 -10.912 1.00 0.00 WAT +ATOM 24382 H2 TIP3 6024 20.005 -24.541 -11.291 1.00 0.00 WAT +ATOM 24383 OH2 TIP3 6025 21.966 -19.629 -6.988 1.00 0.00 WAT +ATOM 24384 H1 TIP3 6025 21.633 -19.791 -6.088 1.00 0.00 WAT +ATOM 24385 H2 TIP3 6025 21.136 -19.759 -7.490 1.00 0.00 WAT +ATOM 24386 OH2 TIP3 6026 24.514 -20.524 -8.118 1.00 0.00 WAT +ATOM 24387 H1 TIP3 6026 23.630 -20.444 -7.708 1.00 0.00 WAT +ATOM 24388 H2 TIP3 6026 24.955 -21.147 -7.514 1.00 0.00 WAT +ATOM 24389 OH2 TIP3 6027 26.437 -22.039 -6.345 1.00 0.00 WAT +ATOM 24390 H1 TIP3 6027 26.208 -22.978 -6.208 1.00 0.00 WAT +ATOM 24391 H2 TIP3 6027 26.176 -21.618 -5.504 1.00 0.00 WAT +ATOM 24392 OH2 TIP3 6028 15.905 -20.402 -6.721 1.00 0.00 WAT +ATOM 24393 H1 TIP3 6028 16.105 -20.986 -7.463 1.00 0.00 WAT +ATOM 24394 H2 TIP3 6028 16.044 -20.991 -5.954 1.00 0.00 WAT +ATOM 24395 OH2 TIP3 6029 20.538 -24.671 -7.949 1.00 0.00 WAT +ATOM 24396 H1 TIP3 6029 21.168 -25.406 -7.895 1.00 0.00 WAT +ATOM 24397 H2 TIP3 6029 20.532 -24.496 -8.910 1.00 0.00 WAT +ATOM 24398 OH2 TIP3 6030 21.509 -22.805 -6.088 1.00 0.00 WAT +ATOM 24399 H1 TIP3 6030 21.147 -23.364 -6.803 1.00 0.00 WAT +ATOM 24400 H2 TIP3 6030 20.837 -22.104 -6.004 1.00 0.00 WAT +ATOM 24401 OH2 TIP3 6031 20.565 -5.736 -22.625 1.00 0.00 WAT +ATOM 24402 H1 TIP3 6031 21.505 -5.590 -22.454 1.00 0.00 WAT +ATOM 24403 H2 TIP3 6031 20.457 -5.271 -23.463 1.00 0.00 WAT +ATOM 24404 OH2 TIP3 6032 14.473 -11.343 -23.078 1.00 0.00 WAT +ATOM 24405 H1 TIP3 6032 15.418 -11.137 -22.902 1.00 0.00 WAT +ATOM 24406 H2 TIP3 6032 14.543 -12.121 -23.665 1.00 0.00 WAT +ATOM 24407 OH2 TIP3 6033 13.998 -8.018 -16.586 1.00 0.00 WAT +ATOM 24408 H1 TIP3 6033 13.573 -8.829 -16.268 1.00 0.00 WAT +ATOM 24409 H2 TIP3 6033 14.067 -7.550 -15.743 1.00 0.00 WAT +ATOM 24410 OH2 TIP3 6034 31.448 -6.686 -13.449 1.00 0.00 WAT +ATOM 24411 H1 TIP3 6034 31.392 -6.930 -12.513 1.00 0.00 WAT +ATOM 24412 H2 TIP3 6034 32.400 -6.649 -13.594 1.00 0.00 WAT +ATOM 24413 OH2 TIP3 6035 31.110 -7.587 -10.552 1.00 0.00 WAT +ATOM 24414 H1 TIP3 6035 30.532 -8.288 -10.885 1.00 0.00 WAT +ATOM 24415 H2 TIP3 6035 31.663 -8.068 -9.922 1.00 0.00 WAT +ATOM 24416 OH2 TIP3 6036 29.410 -11.872 -5.858 1.00 0.00 WAT +ATOM 24417 H1 TIP3 6036 28.498 -11.907 -5.547 1.00 0.00 WAT +ATOM 24418 H2 TIP3 6036 29.712 -10.995 -5.593 1.00 0.00 WAT +ATOM 24419 OH2 TIP3 6037 30.747 -13.081 -20.463 1.00 0.00 WAT +ATOM 24420 H1 TIP3 6037 31.651 -12.783 -20.247 1.00 0.00 WAT +ATOM 24421 H2 TIP3 6037 30.600 -13.699 -19.724 1.00 0.00 WAT +ATOM 24422 OH2 TIP3 6038 31.171 -15.164 -18.499 1.00 0.00 WAT +ATOM 24423 H1 TIP3 6038 30.489 -15.681 -18.028 1.00 0.00 WAT +ATOM 24424 H2 TIP3 6038 31.838 -14.997 -17.802 1.00 0.00 WAT +ATOM 24425 OH2 TIP3 6039 31.474 -15.683 -21.896 1.00 0.00 WAT +ATOM 24426 H1 TIP3 6039 30.912 -15.375 -22.630 1.00 0.00 WAT +ATOM 24427 H2 TIP3 6039 31.308 -14.996 -21.230 1.00 0.00 WAT +ATOM 24428 OH2 TIP3 6040 29.640 -18.101 -23.659 1.00 0.00 WAT +ATOM 24429 H1 TIP3 6040 29.977 -17.498 -24.335 1.00 0.00 WAT +ATOM 24430 H2 TIP3 6040 29.474 -18.919 -24.150 1.00 0.00 WAT +ATOM 24431 OH2 TIP3 6041 29.082 -17.007 -17.661 1.00 0.00 WAT +ATOM 24432 H1 TIP3 6041 29.012 -17.968 -17.762 1.00 0.00 WAT +ATOM 24433 H2 TIP3 6041 28.722 -16.878 -16.757 1.00 0.00 WAT +ATOM 24434 OH2 TIP3 6042 13.844 -15.097 -13.884 1.00 0.00 WAT +ATOM 24435 H1 TIP3 6042 14.176 -14.763 -14.722 1.00 0.00 WAT +ATOM 24436 H2 TIP3 6042 14.637 -15.068 -13.322 1.00 0.00 WAT +ATOM 24437 OH2 TIP3 6043 29.770 -15.018 -8.493 1.00 0.00 WAT +ATOM 24438 H1 TIP3 6043 30.479 -15.671 -8.358 1.00 0.00 WAT +ATOM 24439 H2 TIP3 6043 30.263 -14.218 -8.719 1.00 0.00 WAT +ATOM 24440 OH2 TIP3 6044 31.291 -16.972 -7.297 1.00 0.00 WAT +ATOM 24441 H1 TIP3 6044 30.470 -17.468 -7.513 1.00 0.00 WAT +ATOM 24442 H2 TIP3 6044 31.953 -17.689 -7.326 1.00 0.00 WAT +ATOM 24443 OH2 TIP3 6045 29.193 -20.945 -24.564 1.00 0.00 WAT +ATOM 24444 H1 TIP3 6045 29.748 -21.260 -23.822 1.00 0.00 WAT +ATOM 24445 H2 TIP3 6045 28.318 -21.308 -24.352 1.00 0.00 WAT +ATOM 24446 OH2 TIP3 6046 28.954 -19.514 -19.494 1.00 0.00 WAT +ATOM 24447 H1 TIP3 6046 29.204 -20.457 -19.393 1.00 0.00 WAT +ATOM 24448 H2 TIP3 6046 29.784 -19.146 -19.840 1.00 0.00 WAT +ATOM 24449 OH2 TIP3 6047 29.208 -18.869 -14.040 1.00 0.00 WAT +ATOM 24450 H1 TIP3 6047 30.183 -18.801 -14.033 1.00 0.00 WAT +ATOM 24451 H2 TIP3 6047 29.031 -18.882 -13.083 1.00 0.00 WAT +ATOM 24452 OH2 TIP3 6048 29.384 -18.183 -11.206 1.00 0.00 WAT +ATOM 24453 H1 TIP3 6048 28.516 -17.821 -10.947 1.00 0.00 WAT +ATOM 24454 H2 TIP3 6048 29.878 -17.376 -11.435 1.00 0.00 WAT +ATOM 24455 OH2 TIP3 6049 31.973 -24.025 -5.903 1.00 0.00 WAT +ATOM 24456 H1 TIP3 6049 32.327 -24.729 -6.478 1.00 0.00 WAT +ATOM 24457 H2 TIP3 6049 31.954 -23.266 -6.518 1.00 0.00 WAT +ATOM 24458 OH2 TIP3 6050 29.461 -22.309 -19.494 1.00 0.00 WAT +ATOM 24459 H1 TIP3 6050 29.587 -22.624 -18.574 1.00 0.00 WAT +ATOM 24460 H2 TIP3 6050 28.647 -22.790 -19.745 1.00 0.00 WAT +ATOM 24461 OH2 TIP3 6051 14.605 -21.069 -14.731 1.00 0.00 WAT +ATOM 24462 H1 TIP3 6051 15.042 -21.931 -14.631 1.00 0.00 WAT +ATOM 24463 H2 TIP3 6051 15.303 -20.475 -14.392 1.00 0.00 WAT +ATOM 24464 OH2 TIP3 6052 13.152 -18.251 -13.537 1.00 0.00 WAT +ATOM 24465 H1 TIP3 6052 13.722 -18.337 -14.315 1.00 0.00 WAT +ATOM 24466 H2 TIP3 6052 13.426 -17.372 -13.225 1.00 0.00 WAT +ATOM 24467 OH2 TIP3 6053 31.295 -22.004 -7.677 1.00 0.00 WAT +ATOM 24468 H1 TIP3 6053 30.413 -21.589 -7.648 1.00 0.00 WAT +ATOM 24469 H2 TIP3 6053 31.190 -22.548 -8.480 1.00 0.00 WAT +ATOM 24470 OH2 TIP3 6054 31.401 -21.724 -22.924 1.00 0.00 WAT +ATOM 24471 H1 TIP3 6054 31.720 -22.595 -23.205 1.00 0.00 WAT +ATOM 24472 H2 TIP3 6054 32.226 -21.281 -22.657 1.00 0.00 WAT +ATOM 24473 OH2 TIP3 6055 13.666 -22.112 -19.655 1.00 0.00 WAT +ATOM 24474 H1 TIP3 6055 12.716 -22.033 -19.847 1.00 0.00 WAT +ATOM 24475 H2 TIP3 6055 14.076 -21.494 -20.292 1.00 0.00 WAT +ATOM 24476 OH2 TIP3 6056 28.281 -6.680 -17.574 1.00 0.00 WAT +ATOM 24477 H1 TIP3 6056 28.774 -7.081 -18.307 1.00 0.00 WAT +ATOM 24478 H2 TIP3 6056 28.979 -6.496 -16.936 1.00 0.00 WAT +ATOM 24479 OH2 TIP3 6057 13.693 -23.256 -11.528 1.00 0.00 WAT +ATOM 24480 H1 TIP3 6057 13.051 -23.447 -10.829 1.00 0.00 WAT +ATOM 24481 H2 TIP3 6057 13.171 -22.681 -12.119 1.00 0.00 WAT +ATOM 24482 OH2 TIP3 6058 30.047 -23.757 -9.665 1.00 0.00 WAT +ATOM 24483 H1 TIP3 6058 29.326 -23.538 -10.280 1.00 0.00 WAT +ATOM 24484 H2 TIP3 6058 30.327 -24.640 -9.992 1.00 0.00 WAT +ATOM 24485 OH2 TIP3 6059 18.497 -6.919 -12.255 1.00 0.00 WAT +ATOM 24486 H1 TIP3 6059 18.293 -6.673 -11.358 1.00 0.00 WAT +ATOM 24487 H2 TIP3 6059 18.863 -6.106 -12.645 1.00 0.00 WAT +ATOM 24488 OH2 TIP3 6060 22.983 -6.349 -12.546 1.00 0.00 WAT +ATOM 24489 H1 TIP3 6060 22.812 -5.723 -13.263 1.00 0.00 WAT +ATOM 24490 H2 TIP3 6060 23.101 -5.762 -11.766 1.00 0.00 WAT +ATOM 24491 OH2 TIP3 6061 25.457 -7.658 -11.859 1.00 0.00 WAT +ATOM 24492 H1 TIP3 6061 24.560 -7.327 -12.021 1.00 0.00 WAT +ATOM 24493 H2 TIP3 6061 25.878 -6.845 -11.539 1.00 0.00 WAT +ATOM 24494 OH2 TIP3 6062 28.234 -5.950 -11.512 1.00 0.00 WAT +ATOM 24495 H1 TIP3 6062 27.877 -5.108 -11.821 1.00 0.00 WAT +ATOM 24496 H2 TIP3 6062 28.261 -6.469 -12.339 1.00 0.00 WAT +ATOM 24497 OH2 TIP3 6063 15.523 -7.690 -13.624 1.00 0.00 WAT +ATOM 24498 H1 TIP3 6063 15.724 -7.941 -12.713 1.00 0.00 WAT +ATOM 24499 H2 TIP3 6063 16.341 -7.945 -14.090 1.00 0.00 WAT +ATOM 24500 OH2 TIP3 6064 17.555 -8.569 -15.462 1.00 0.00 WAT +ATOM 24501 H1 TIP3 6064 17.434 -9.504 -15.195 1.00 0.00 WAT +ATOM 24502 H2 TIP3 6064 18.444 -8.373 -15.100 1.00 0.00 WAT +ATOM 24503 OH2 TIP3 6065 20.265 -8.146 -14.537 1.00 0.00 WAT +ATOM 24504 H1 TIP3 6065 20.500 -9.067 -14.740 1.00 0.00 WAT +ATOM 24505 H2 TIP3 6065 20.310 -8.174 -13.564 1.00 0.00 WAT +ATOM 24506 OH2 TIP3 6066 23.584 -22.257 -15.255 1.00 0.00 WAT +ATOM 24507 H1 TIP3 6066 22.904 -22.938 -15.097 1.00 0.00 WAT +ATOM 24508 H2 TIP3 6066 24.221 -22.732 -15.815 1.00 0.00 WAT +ATOM 24509 OH2 TIP3 6067 28.271 -23.847 -14.652 1.00 0.00 WAT +ATOM 24510 H1 TIP3 6067 29.150 -24.108 -14.966 1.00 0.00 WAT +ATOM 24511 H2 TIP3 6067 27.709 -23.944 -15.432 1.00 0.00 WAT +ATOM 24512 OH2 TIP3 6068 30.555 -23.137 -16.997 1.00 0.00 WAT +ATOM 24513 H1 TIP3 6068 31.338 -23.585 -17.351 1.00 0.00 WAT +ATOM 24514 H2 TIP3 6068 30.901 -22.262 -16.746 1.00 0.00 WAT +ATOM 24515 OH2 TIP3 6069 15.949 -23.558 -17.677 1.00 0.00 WAT +ATOM 24516 H1 TIP3 6069 15.090 -23.697 -18.123 1.00 0.00 WAT +ATOM 24517 H2 TIP3 6069 16.377 -24.421 -17.819 1.00 0.00 WAT +ATOM 24518 OH2 TIP3 6070 14.741 -24.052 -21.842 1.00 0.00 WAT +ATOM 24519 H1 TIP3 6070 15.284 -23.394 -22.321 1.00 0.00 WAT +ATOM 24520 H2 TIP3 6070 14.363 -23.517 -21.125 1.00 0.00 WAT +ATOM 24521 OH2 TIP3 6071 20.422 -23.746 -17.804 1.00 0.00 WAT +ATOM 24522 H1 TIP3 6071 21.324 -23.410 -17.939 1.00 0.00 WAT +ATOM 24523 H2 TIP3 6071 20.393 -23.808 -16.841 1.00 0.00 WAT +ATOM 24524 OH2 TIP3 6072 25.900 -23.663 -16.509 1.00 0.00 WAT +ATOM 24525 H1 TIP3 6072 26.273 -23.896 -17.368 1.00 0.00 WAT +ATOM 24526 H2 TIP3 6072 25.612 -24.526 -16.167 1.00 0.00 WAT +ATOM 24527 OH2 TIP3 6073 27.132 -23.699 -20.439 1.00 0.00 WAT +ATOM 24528 H1 TIP3 6073 26.318 -23.160 -20.505 1.00 0.00 WAT +ATOM 24529 H2 TIP3 6073 26.760 -24.577 -20.247 1.00 0.00 WAT +ATOM 24530 OH2 TIP3 6074 14.922 -8.049 -20.840 1.00 0.00 WAT +ATOM 24531 H1 TIP3 6074 14.138 -8.152 -21.393 1.00 0.00 WAT +ATOM 24532 H2 TIP3 6074 14.892 -7.107 -20.640 1.00 0.00 WAT +ATOM 24533 OH2 TIP3 6075 16.486 -22.276 -23.346 1.00 0.00 WAT +ATOM 24534 H1 TIP3 6075 17.113 -22.768 -23.905 1.00 0.00 WAT +ATOM 24535 H2 TIP3 6075 17.096 -21.895 -22.685 1.00 0.00 WAT +ATOM 24536 OH2 TIP3 6076 21.588 -22.068 -20.751 1.00 0.00 WAT +ATOM 24537 H1 TIP3 6076 21.932 -22.627 -20.036 1.00 0.00 WAT +ATOM 24538 H2 TIP3 6076 21.753 -21.192 -20.367 1.00 0.00 WAT +ATOM 24539 OH2 TIP3 6077 23.666 -6.265 -22.536 1.00 0.00 WAT +ATOM 24540 H1 TIP3 6077 24.638 -6.289 -22.576 1.00 0.00 WAT +ATOM 24541 H2 TIP3 6077 23.440 -6.935 -23.200 1.00 0.00 WAT +ATOM 24542 OH2 TIP3 6078 30.156 -7.256 -19.952 1.00 0.00 WAT +ATOM 24543 H1 TIP3 6078 29.873 -8.078 -20.393 1.00 0.00 WAT +ATOM 24544 H2 TIP3 6078 30.060 -6.606 -20.666 1.00 0.00 WAT +ATOM 24545 OH2 TIP3 6079 15.734 -23.310 -8.195 1.00 0.00 WAT +ATOM 24546 H1 TIP3 6079 15.388 -24.130 -7.800 1.00 0.00 WAT +ATOM 24547 H2 TIP3 6079 16.649 -23.323 -7.865 1.00 0.00 WAT +ATOM 24548 OH2 TIP3 6080 18.146 -23.939 -6.425 1.00 0.00 WAT +ATOM 24549 H1 TIP3 6080 18.971 -24.286 -6.822 1.00 0.00 WAT +ATOM 24550 H2 TIP3 6080 17.797 -24.732 -5.995 1.00 0.00 WAT +ATOM 24551 OH2 TIP3 6081 16.378 -7.141 -23.824 1.00 0.00 WAT +ATOM 24552 H1 TIP3 6081 16.156 -6.936 -22.905 1.00 0.00 WAT +ATOM 24553 H2 TIP3 6081 17.148 -7.723 -23.714 1.00 0.00 WAT +ATOM 24554 OH2 TIP3 6082 26.254 -24.839 -6.246 1.00 0.00 WAT +ATOM 24555 H1 TIP3 6082 26.299 -25.230 -5.353 1.00 0.00 WAT +ATOM 24556 H2 TIP3 6082 27.193 -24.854 -6.511 1.00 0.00 WAT +ATOM 24557 OH2 TIP3 6083 29.537 -8.491 -7.490 1.00 0.00 WAT +ATOM 24558 H1 TIP3 6083 28.839 -8.655 -8.163 1.00 0.00 WAT +ATOM 24559 H2 TIP3 6083 29.401 -7.529 -7.368 1.00 0.00 WAT +ATOM 24560 OH2 TIP3 6084 42.156 -15.757 -14.267 1.00 0.00 WAT +ATOM 24561 H1 TIP3 6084 42.928 -15.421 -13.774 1.00 0.00 WAT +ATOM 24562 H2 TIP3 6084 42.470 -15.707 -15.177 1.00 0.00 WAT +ATOM 24563 OH2 TIP3 6085 35.131 -15.778 -12.710 1.00 0.00 WAT +ATOM 24564 H1 TIP3 6085 35.089 -16.515 -12.077 1.00 0.00 WAT +ATOM 24565 H2 TIP3 6085 35.827 -15.229 -12.328 1.00 0.00 WAT +ATOM 24566 OH2 TIP3 6086 35.873 -11.145 -14.131 1.00 0.00 WAT +ATOM 24567 H1 TIP3 6086 35.587 -12.040 -14.412 1.00 0.00 WAT +ATOM 24568 H2 TIP3 6086 36.815 -11.309 -13.979 1.00 0.00 WAT +ATOM 24569 OH2 TIP3 6087 32.825 -17.738 -18.847 1.00 0.00 WAT +ATOM 24570 H1 TIP3 6087 32.432 -16.870 -18.655 1.00 0.00 WAT +ATOM 24571 H2 TIP3 6087 32.053 -18.242 -19.125 1.00 0.00 WAT +ATOM 24572 OH2 TIP3 6088 33.582 -15.290 -16.961 1.00 0.00 WAT +ATOM 24573 H1 TIP3 6088 33.718 -16.057 -16.372 1.00 0.00 WAT +ATOM 24574 H2 TIP3 6088 34.455 -15.193 -17.359 1.00 0.00 WAT +ATOM 24575 OH2 TIP3 6089 41.196 -12.866 -13.654 1.00 0.00 WAT +ATOM 24576 H1 TIP3 6089 41.454 -13.578 -14.261 1.00 0.00 WAT +ATOM 24577 H2 TIP3 6089 42.048 -12.635 -13.264 1.00 0.00 WAT +ATOM 24578 OH2 TIP3 6090 37.470 -20.508 -16.191 1.00 0.00 WAT +ATOM 24579 H1 TIP3 6090 37.576 -19.645 -16.639 1.00 0.00 WAT +ATOM 24580 H2 TIP3 6090 37.076 -21.026 -16.917 1.00 0.00 WAT +ATOM 24581 OH2 TIP3 6091 34.131 -17.786 -15.689 1.00 0.00 WAT +ATOM 24582 H1 TIP3 6091 34.729 -18.268 -15.095 1.00 0.00 WAT +ATOM 24583 H2 TIP3 6091 34.227 -18.289 -16.516 1.00 0.00 WAT +ATOM 24584 OH2 TIP3 6092 39.517 -16.427 -16.209 1.00 0.00 WAT +ATOM 24585 H1 TIP3 6092 40.263 -16.951 -15.852 1.00 0.00 WAT +ATOM 24586 H2 TIP3 6092 39.012 -17.118 -16.671 1.00 0.00 WAT +ATOM 24587 OH2 TIP3 6093 36.264 -21.709 -12.030 1.00 0.00 WAT +ATOM 24588 H1 TIP3 6093 35.845 -21.220 -12.755 1.00 0.00 WAT +ATOM 24589 H2 TIP3 6093 35.583 -21.618 -11.334 1.00 0.00 WAT +ATOM 24590 OH2 TIP3 6094 39.165 -13.904 -11.866 1.00 0.00 WAT +ATOM 24591 H1 TIP3 6094 38.432 -13.299 -11.628 1.00 0.00 WAT +ATOM 24592 H2 TIP3 6094 39.801 -13.301 -12.291 1.00 0.00 WAT +ATOM 24593 OH2 TIP3 6095 35.845 -19.687 -14.087 1.00 0.00 WAT +ATOM 24594 H1 TIP3 6095 36.484 -19.097 -13.639 1.00 0.00 WAT +ATOM 24595 H2 TIP3 6095 36.417 -20.059 -14.793 1.00 0.00 WAT +ATOM 24596 OH2 TIP3 6096 37.161 -11.975 -11.140 1.00 0.00 WAT +ATOM 24597 H1 TIP3 6096 37.122 -11.075 -11.511 1.00 0.00 WAT +ATOM 24598 H2 TIP3 6096 36.271 -12.023 -10.743 1.00 0.00 WAT +ATOM 24599 OH2 TIP3 6097 33.481 -12.268 -20.293 1.00 0.00 WAT +ATOM 24600 H1 TIP3 6097 33.279 -11.747 -21.084 1.00 0.00 WAT +ATOM 24601 H2 TIP3 6097 33.656 -11.580 -19.612 1.00 0.00 WAT +ATOM 24602 OH2 TIP3 6098 40.433 -24.261 -14.873 1.00 0.00 WAT +ATOM 24603 H1 TIP3 6098 40.135 -25.190 -14.898 1.00 0.00 WAT +ATOM 24604 H2 TIP3 6098 39.630 -23.816 -14.526 1.00 0.00 WAT +ATOM 24605 OH2 TIP3 6099 42.664 -15.477 -20.286 1.00 0.00 WAT +ATOM 24606 H1 TIP3 6099 41.998 -14.766 -20.375 1.00 0.00 WAT +ATOM 24607 H2 TIP3 6099 43.363 -15.129 -20.844 1.00 0.00 WAT +ATOM 24608 OH2 TIP3 6100 42.874 -16.999 -23.042 1.00 0.00 WAT +ATOM 24609 H1 TIP3 6100 43.721 -16.922 -22.573 1.00 0.00 WAT +ATOM 24610 H2 TIP3 6100 43.020 -17.722 -23.658 1.00 0.00 WAT +ATOM 24611 OH2 TIP3 6101 37.586 -14.540 -17.297 1.00 0.00 WAT +ATOM 24612 H1 TIP3 6101 37.286 -14.976 -18.116 1.00 0.00 WAT +ATOM 24613 H2 TIP3 6101 38.242 -15.176 -16.957 1.00 0.00 WAT +ATOM 24614 OH2 TIP3 6102 38.972 -11.150 -14.539 1.00 0.00 WAT +ATOM 24615 H1 TIP3 6102 38.877 -11.528 -15.423 1.00 0.00 WAT +ATOM 24616 H2 TIP3 6102 39.775 -11.597 -14.213 1.00 0.00 WAT +ATOM 24617 OH2 TIP3 6103 38.160 -15.735 -13.805 1.00 0.00 WAT +ATOM 24618 H1 TIP3 6103 38.749 -15.720 -14.585 1.00 0.00 WAT +ATOM 24619 H2 TIP3 6103 38.554 -15.053 -13.229 1.00 0.00 WAT +ATOM 24620 OH2 TIP3 6104 39.020 -11.374 -8.970 1.00 0.00 WAT +ATOM 24621 H1 TIP3 6104 38.488 -10.683 -8.535 1.00 0.00 WAT +ATOM 24622 H2 TIP3 6104 38.409 -11.650 -9.682 1.00 0.00 WAT +ATOM 24623 OH2 TIP3 6105 35.957 -15.043 -9.841 1.00 0.00 WAT +ATOM 24624 H1 TIP3 6105 35.993 -14.440 -9.077 1.00 0.00 WAT +ATOM 24625 H2 TIP3 6105 34.994 -15.123 -9.971 1.00 0.00 WAT +ATOM 24626 OH2 TIP3 6106 42.426 -9.282 -18.078 1.00 0.00 WAT +ATOM 24627 H1 TIP3 6106 42.993 -8.809 -17.445 1.00 0.00 WAT +ATOM 24628 H2 TIP3 6106 41.954 -8.566 -18.514 1.00 0.00 WAT +ATOM 24629 OH2 TIP3 6107 37.128 -9.227 -8.157 1.00 0.00 WAT +ATOM 24630 H1 TIP3 6107 37.017 -9.151 -9.123 1.00 0.00 WAT +ATOM 24631 H2 TIP3 6107 36.228 -9.457 -7.858 1.00 0.00 WAT +ATOM 24632 OH2 TIP3 6108 36.524 -15.793 -19.775 1.00 0.00 WAT +ATOM 24633 H1 TIP3 6108 36.303 -15.023 -20.325 1.00 0.00 WAT +ATOM 24634 H2 TIP3 6108 35.818 -16.412 -20.001 1.00 0.00 WAT +ATOM 24635 OH2 TIP3 6109 32.589 -13.066 -11.091 1.00 0.00 WAT +ATOM 24636 H1 TIP3 6109 32.099 -12.958 -11.931 1.00 0.00 WAT +ATOM 24637 H2 TIP3 6109 32.607 -14.034 -10.998 1.00 0.00 WAT +ATOM 24638 OH2 TIP3 6110 33.003 -9.994 -14.367 1.00 0.00 WAT +ATOM 24639 H1 TIP3 6110 33.733 -10.526 -14.021 1.00 0.00 WAT +ATOM 24640 H2 TIP3 6110 32.324 -10.091 -13.682 1.00 0.00 WAT +ATOM 24641 OH2 TIP3 6111 41.748 -10.388 -9.406 1.00 0.00 WAT +ATOM 24642 H1 TIP3 6111 41.794 -9.462 -9.126 1.00 0.00 WAT +ATOM 24643 H2 TIP3 6111 40.810 -10.617 -9.283 1.00 0.00 WAT +ATOM 24644 OH2 TIP3 6112 41.691 -6.408 -19.665 1.00 0.00 WAT +ATOM 24645 H1 TIP3 6112 42.228 -6.542 -20.454 1.00 0.00 WAT +ATOM 24646 H2 TIP3 6112 42.162 -5.696 -19.213 1.00 0.00 WAT +ATOM 24647 OH2 TIP3 6113 35.720 -7.375 -17.933 1.00 0.00 WAT +ATOM 24648 H1 TIP3 6113 35.901 -7.829 -17.082 1.00 0.00 WAT +ATOM 24649 H2 TIP3 6113 34.883 -7.786 -18.185 1.00 0.00 WAT +ATOM 24650 OH2 TIP3 6114 34.720 -11.556 -9.787 1.00 0.00 WAT +ATOM 24651 H1 TIP3 6114 35.001 -12.070 -9.006 1.00 0.00 WAT +ATOM 24652 H2 TIP3 6114 33.981 -12.081 -10.151 1.00 0.00 WAT +ATOM 24653 OH2 TIP3 6115 37.976 -23.078 -14.066 1.00 0.00 WAT +ATOM 24654 H1 TIP3 6115 37.135 -23.184 -14.549 1.00 0.00 WAT +ATOM 24655 H2 TIP3 6115 37.727 -22.366 -13.457 1.00 0.00 WAT +ATOM 24656 OH2 TIP3 6116 42.331 -23.728 -9.766 1.00 0.00 WAT +ATOM 24657 H1 TIP3 6116 42.444 -24.460 -9.143 1.00 0.00 WAT +ATOM 24658 H2 TIP3 6116 41.415 -23.889 -10.075 1.00 0.00 WAT +ATOM 24659 OH2 TIP3 6117 42.351 -20.953 -23.000 1.00 0.00 WAT +ATOM 24660 H1 TIP3 6117 41.670 -21.100 -22.329 1.00 0.00 WAT +ATOM 24661 H2 TIP3 6117 42.050 -21.564 -23.689 1.00 0.00 WAT +ATOM 24662 OH2 TIP3 6118 37.821 -18.278 -12.595 1.00 0.00 WAT +ATOM 24663 H1 TIP3 6118 37.148 -18.188 -11.900 1.00 0.00 WAT +ATOM 24664 H2 TIP3 6118 37.862 -17.375 -12.980 1.00 0.00 WAT +ATOM 24665 OH2 TIP3 6119 37.746 -18.225 -17.744 1.00 0.00 WAT +ATOM 24666 H1 TIP3 6119 36.784 -18.302 -17.885 1.00 0.00 WAT +ATOM 24667 H2 TIP3 6119 38.071 -18.403 -18.645 1.00 0.00 WAT +ATOM 24668 OH2 TIP3 6120 42.979 -18.035 -18.938 1.00 0.00 WAT +ATOM 24669 H1 TIP3 6120 42.677 -17.106 -18.954 1.00 0.00 WAT +ATOM 24670 H2 TIP3 6120 43.141 -18.195 -19.872 1.00 0.00 WAT +ATOM 24671 OH2 TIP3 6121 42.543 -17.385 -7.391 1.00 0.00 WAT +ATOM 24672 H1 TIP3 6121 41.943 -18.155 -7.285 1.00 0.00 WAT +ATOM 24673 H2 TIP3 6121 43.393 -17.870 -7.416 1.00 0.00 WAT +ATOM 24674 OH2 TIP3 6122 35.226 -18.137 -10.805 1.00 0.00 WAT +ATOM 24675 H1 TIP3 6122 35.366 -17.809 -9.911 1.00 0.00 WAT +ATOM 24676 H2 TIP3 6122 34.805 -18.998 -10.632 1.00 0.00 WAT +ATOM 24677 OH2 TIP3 6123 38.642 -20.508 -24.223 1.00 0.00 WAT +ATOM 24678 H1 TIP3 6123 38.243 -20.853 -23.399 1.00 0.00 WAT +ATOM 24679 H2 TIP3 6123 37.869 -20.371 -24.783 1.00 0.00 WAT +ATOM 24680 OH2 TIP3 6124 32.034 -20.615 -17.192 1.00 0.00 WAT +ATOM 24681 H1 TIP3 6124 32.577 -20.680 -16.382 1.00 0.00 WAT +ATOM 24682 H2 TIP3 6124 32.540 -21.118 -17.842 1.00 0.00 WAT +ATOM 24683 OH2 TIP3 6125 33.554 -20.256 -21.481 1.00 0.00 WAT +ATOM 24684 H1 TIP3 6125 34.135 -19.749 -22.083 1.00 0.00 WAT +ATOM 24685 H2 TIP3 6125 32.904 -19.572 -21.233 1.00 0.00 WAT +ATOM 24686 OH2 TIP3 6126 43.531 -16.889 -11.339 1.00 0.00 WAT +ATOM 24687 H1 TIP3 6126 43.791 -17.525 -12.040 1.00 0.00 WAT +ATOM 24688 H2 TIP3 6126 42.708 -17.292 -11.036 1.00 0.00 WAT +ATOM 24689 OH2 TIP3 6127 40.455 -20.876 -16.680 1.00 0.00 WAT +ATOM 24690 H1 TIP3 6127 39.517 -20.751 -16.453 1.00 0.00 WAT +ATOM 24691 H2 TIP3 6127 40.871 -20.594 -15.847 1.00 0.00 WAT +ATOM 24692 OH2 TIP3 6128 35.100 -19.395 -18.046 1.00 0.00 WAT +ATOM 24693 H1 TIP3 6128 34.269 -19.130 -18.481 1.00 0.00 WAT +ATOM 24694 H2 TIP3 6128 35.364 -20.200 -18.528 1.00 0.00 WAT +ATOM 24695 OH2 TIP3 6129 38.663 -19.100 -20.408 1.00 0.00 WAT +ATOM 24696 H1 TIP3 6129 39.623 -19.006 -20.303 1.00 0.00 WAT +ATOM 24697 H2 TIP3 6129 38.429 -18.439 -21.083 1.00 0.00 WAT +ATOM 24698 OH2 TIP3 6130 37.192 -17.816 -22.609 1.00 0.00 WAT +ATOM 24699 H1 TIP3 6130 36.613 -18.102 -23.331 1.00 0.00 WAT +ATOM 24700 H2 TIP3 6130 38.021 -17.648 -23.085 1.00 0.00 WAT +ATOM 24701 OH2 TIP3 6131 35.856 -13.101 -7.578 1.00 0.00 WAT +ATOM 24702 H1 TIP3 6131 36.482 -12.939 -6.849 1.00 0.00 WAT +ATOM 24703 H2 TIP3 6131 35.016 -13.121 -7.080 1.00 0.00 WAT +ATOM 24704 OH2 TIP3 6132 41.410 -18.524 -15.329 1.00 0.00 WAT +ATOM 24705 H1 TIP3 6132 42.229 -18.847 -15.722 1.00 0.00 WAT +ATOM 24706 H2 TIP3 6132 41.613 -18.569 -14.378 1.00 0.00 WAT +ATOM 24707 OH2 TIP3 6133 36.824 -21.679 -18.760 1.00 0.00 WAT +ATOM 24708 H1 TIP3 6133 36.251 -22.440 -18.556 1.00 0.00 WAT +ATOM 24709 H2 TIP3 6133 37.639 -22.102 -19.058 1.00 0.00 WAT +ATOM 24710 OH2 TIP3 6134 40.503 -19.729 -12.612 1.00 0.00 WAT +ATOM 24711 H1 TIP3 6134 39.784 -19.088 -12.749 1.00 0.00 WAT +ATOM 24712 H2 TIP3 6134 40.989 -19.333 -11.868 1.00 0.00 WAT +ATOM 24713 OH2 TIP3 6135 40.723 -13.416 -20.686 1.00 0.00 WAT +ATOM 24714 H1 TIP3 6135 39.930 -13.848 -21.062 1.00 0.00 WAT +ATOM 24715 H2 TIP3 6135 40.480 -13.285 -19.741 1.00 0.00 WAT +ATOM 24716 OH2 TIP3 6136 42.128 -13.373 -9.437 1.00 0.00 WAT +ATOM 24717 H1 TIP3 6136 41.796 -13.466 -8.542 1.00 0.00 WAT +ATOM 24718 H2 TIP3 6136 42.135 -12.412 -9.577 1.00 0.00 WAT +ATOM 24719 OH2 TIP3 6137 35.807 -13.837 -14.922 1.00 0.00 WAT +ATOM 24720 H1 TIP3 6137 36.362 -13.967 -15.708 1.00 0.00 WAT +ATOM 24721 H2 TIP3 6137 35.834 -14.714 -14.506 1.00 0.00 WAT +ATOM 24722 OH2 TIP3 6138 42.865 -12.009 -21.696 1.00 0.00 WAT +ATOM 24723 H1 TIP3 6138 42.613 -11.094 -21.462 1.00 0.00 WAT +ATOM 24724 H2 TIP3 6138 42.077 -12.499 -21.385 1.00 0.00 WAT +ATOM 24725 OH2 TIP3 6139 33.072 -15.578 -9.658 1.00 0.00 WAT +ATOM 24726 H1 TIP3 6139 33.163 -16.041 -8.804 1.00 0.00 WAT +ATOM 24727 H2 TIP3 6139 32.438 -16.129 -10.148 1.00 0.00 WAT +ATOM 24728 OH2 TIP3 6140 40.024 -16.058 -7.610 1.00 0.00 WAT +ATOM 24729 H1 TIP3 6140 39.609 -16.394 -8.427 1.00 0.00 WAT +ATOM 24730 H2 TIP3 6140 40.950 -16.332 -7.744 1.00 0.00 WAT +ATOM 24731 OH2 TIP3 6141 38.154 -10.573 -17.677 1.00 0.00 WAT +ATOM 24732 H1 TIP3 6141 38.583 -9.711 -17.795 1.00 0.00 WAT +ATOM 24733 H2 TIP3 6141 37.234 -10.363 -17.878 1.00 0.00 WAT +ATOM 24734 OH2 TIP3 6142 34.098 -15.638 -23.165 1.00 0.00 WAT +ATOM 24735 H1 TIP3 6142 34.705 -15.030 -22.701 1.00 0.00 WAT +ATOM 24736 H2 TIP3 6142 33.261 -15.474 -22.686 1.00 0.00 WAT +ATOM 24737 OH2 TIP3 6143 39.947 -12.895 -18.060 1.00 0.00 WAT +ATOM 24738 H1 TIP3 6143 39.706 -11.967 -17.911 1.00 0.00 WAT +ATOM 24739 H2 TIP3 6143 39.210 -13.357 -17.632 1.00 0.00 WAT +ATOM 24740 OH2 TIP3 6144 40.201 -8.573 -11.646 1.00 0.00 WAT +ATOM 24741 H1 TIP3 6144 40.764 -7.856 -12.009 1.00 0.00 WAT +ATOM 24742 H2 TIP3 6144 40.864 -9.095 -11.176 1.00 0.00 WAT +ATOM 24743 OH2 TIP3 6145 38.594 -7.670 -18.452 1.00 0.00 WAT +ATOM 24744 H1 TIP3 6145 37.643 -7.503 -18.360 1.00 0.00 WAT +ATOM 24745 H2 TIP3 6145 38.974 -6.801 -18.229 1.00 0.00 WAT +ATOM 24746 OH2 TIP3 6146 34.348 -20.908 -10.008 1.00 0.00 WAT +ATOM 24747 H1 TIP3 6146 33.451 -20.657 -10.311 1.00 0.00 WAT +ATOM 24748 H2 TIP3 6146 34.182 -21.809 -9.679 1.00 0.00 WAT +ATOM 24749 OH2 TIP3 6147 34.165 -9.131 -11.618 1.00 0.00 WAT +ATOM 24750 H1 TIP3 6147 34.364 -10.067 -11.488 1.00 0.00 WAT +ATOM 24751 H2 TIP3 6147 34.376 -8.768 -10.752 1.00 0.00 WAT +ATOM 24752 OH2 TIP3 6148 39.867 -10.471 -24.651 1.00 0.00 WAT +ATOM 24753 H1 TIP3 6148 40.327 -11.202 -25.107 1.00 0.00 WAT +ATOM 24754 H2 TIP3 6148 39.593 -10.921 -23.836 1.00 0.00 WAT +ATOM 24755 OH2 TIP3 6149 38.804 -11.062 -21.833 1.00 0.00 WAT +ATOM 24756 H1 TIP3 6149 39.359 -11.545 -21.207 1.00 0.00 WAT +ATOM 24757 H2 TIP3 6149 38.976 -10.132 -21.577 1.00 0.00 WAT +ATOM 24758 OH2 TIP3 6150 35.621 -13.568 -21.551 1.00 0.00 WAT +ATOM 24759 H1 TIP3 6150 34.934 -13.158 -20.986 1.00 0.00 WAT +ATOM 24760 H2 TIP3 6150 36.156 -12.792 -21.787 1.00 0.00 WAT +ATOM 24761 OH2 TIP3 6151 43.394 -20.642 -10.954 1.00 0.00 WAT +ATOM 24762 H1 TIP3 6151 43.799 -21.450 -10.633 1.00 0.00 WAT +ATOM 24763 H2 TIP3 6151 42.763 -20.984 -11.607 1.00 0.00 WAT +ATOM 24764 OH2 TIP3 6152 41.634 -9.421 -21.370 1.00 0.00 WAT +ATOM 24765 H1 TIP3 6152 40.899 -8.822 -21.160 1.00 0.00 WAT +ATOM 24766 H2 TIP3 6152 42.241 -8.853 -21.852 1.00 0.00 WAT +ATOM 24767 OH2 TIP3 6153 41.154 -19.952 -19.277 1.00 0.00 WAT +ATOM 24768 H1 TIP3 6153 41.875 -19.324 -19.050 1.00 0.00 WAT +ATOM 24769 H2 TIP3 6153 40.810 -20.120 -18.377 1.00 0.00 WAT +ATOM 24770 OH2 TIP3 6154 41.604 -18.828 -10.078 1.00 0.00 WAT +ATOM 24771 H1 TIP3 6154 41.845 -18.238 -9.355 1.00 0.00 WAT +ATOM 24772 H2 TIP3 6154 42.362 -19.442 -10.136 1.00 0.00 WAT +ATOM 24773 OH2 TIP3 6155 41.955 -22.708 -18.096 1.00 0.00 WAT +ATOM 24774 H1 TIP3 6155 41.645 -21.924 -17.586 1.00 0.00 WAT +ATOM 24775 H2 TIP3 6155 42.722 -22.339 -18.568 1.00 0.00 WAT +ATOM 24776 OH2 TIP3 6156 38.887 -8.304 -21.303 1.00 0.00 WAT +ATOM 24777 H1 TIP3 6156 38.906 -7.472 -21.818 1.00 0.00 WAT +ATOM 24778 H2 TIP3 6156 38.818 -7.974 -20.387 1.00 0.00 WAT +ATOM 24779 OH2 TIP3 6157 37.691 -21.610 -21.865 1.00 0.00 WAT +ATOM 24780 H1 TIP3 6157 37.682 -20.869 -21.232 1.00 0.00 WAT +ATOM 24781 H2 TIP3 6157 38.486 -22.095 -21.586 1.00 0.00 WAT +ATOM 24782 OH2 TIP3 6158 36.088 -10.727 -22.799 1.00 0.00 WAT +ATOM 24783 H1 TIP3 6158 36.801 -10.238 -22.355 1.00 0.00 WAT +ATOM 24784 H2 TIP3 6158 36.624 -11.256 -23.412 1.00 0.00 WAT +ATOM 24785 OH2 TIP3 6159 34.241 -18.549 -23.635 1.00 0.00 WAT +ATOM 24786 H1 TIP3 6159 34.398 -17.607 -23.450 1.00 0.00 WAT +ATOM 24787 H2 TIP3 6159 33.346 -18.537 -23.985 1.00 0.00 WAT +ATOM 24788 OH2 TIP3 6160 35.207 -23.563 -14.839 1.00 0.00 WAT +ATOM 24789 H1 TIP3 6160 34.934 -23.592 -15.774 1.00 0.00 WAT +ATOM 24790 H2 TIP3 6160 34.810 -24.386 -14.474 1.00 0.00 WAT +ATOM 24791 OH2 TIP3 6161 34.023 -10.086 -18.630 1.00 0.00 WAT +ATOM 24792 H1 TIP3 6161 33.316 -9.555 -18.237 1.00 0.00 WAT +ATOM 24793 H2 TIP3 6161 34.406 -9.478 -19.280 1.00 0.00 WAT +ATOM 24794 OH2 TIP3 6162 33.423 -7.066 -7.372 1.00 0.00 WAT +ATOM 24795 H1 TIP3 6162 33.886 -7.356 -6.569 1.00 0.00 WAT +ATOM 24796 H2 TIP3 6162 32.934 -7.864 -7.641 1.00 0.00 WAT +ATOM 24797 OH2 TIP3 6163 38.111 -8.126 -5.599 1.00 0.00 WAT +ATOM 24798 H1 TIP3 6163 38.849 -8.745 -5.483 1.00 0.00 WAT +ATOM 24799 H2 TIP3 6163 37.874 -8.304 -6.526 1.00 0.00 WAT +ATOM 24800 OH2 TIP3 6164 42.311 -8.806 -24.429 1.00 0.00 WAT +ATOM 24801 H1 TIP3 6164 41.526 -9.380 -24.323 1.00 0.00 WAT +ATOM 24802 H2 TIP3 6164 43.001 -9.495 -24.428 1.00 0.00 WAT +ATOM 24803 OH2 TIP3 6165 33.424 -13.491 -6.304 1.00 0.00 WAT +ATOM 24804 H1 TIP3 6165 33.502 -14.390 -6.666 1.00 0.00 WAT +ATOM 24805 H2 TIP3 6165 32.652 -13.166 -6.810 1.00 0.00 WAT +ATOM 24806 OH2 TIP3 6166 37.605 -13.084 -24.299 1.00 0.00 WAT +ATOM 24807 H1 TIP3 6166 37.818 -13.663 -23.549 1.00 0.00 WAT +ATOM 24808 H2 TIP3 6166 38.467 -13.067 -24.762 1.00 0.00 WAT +ATOM 24809 OH2 TIP3 6167 40.066 -13.300 -6.983 1.00 0.00 WAT +ATOM 24810 H1 TIP3 6167 39.778 -12.961 -7.850 1.00 0.00 WAT +ATOM 24811 H2 TIP3 6167 40.153 -14.263 -7.150 1.00 0.00 WAT +ATOM 24812 OH2 TIP3 6168 42.479 -11.701 -24.689 1.00 0.00 WAT +ATOM 24813 H1 TIP3 6168 42.885 -11.581 -23.810 1.00 0.00 WAT +ATOM 24814 H2 TIP3 6168 42.525 -12.665 -24.778 1.00 0.00 WAT +ATOM 24815 OH2 TIP3 6169 34.284 -16.316 -7.117 1.00 0.00 WAT +ATOM 24816 H1 TIP3 6169 34.957 -17.013 -7.109 1.00 0.00 WAT +ATOM 24817 H2 TIP3 6169 34.152 -16.165 -6.170 1.00 0.00 WAT +ATOM 24818 OH2 TIP3 6170 38.680 -15.001 -21.985 1.00 0.00 WAT +ATOM 24819 H1 TIP3 6170 38.086 -15.516 -21.422 1.00 0.00 WAT +ATOM 24820 H2 TIP3 6170 39.023 -15.684 -22.592 1.00 0.00 WAT +ATOM 24821 OH2 TIP3 6171 37.997 -17.143 -9.606 1.00 0.00 WAT +ATOM 24822 H1 TIP3 6171 37.361 -16.405 -9.538 1.00 0.00 WAT +ATOM 24823 H2 TIP3 6171 38.487 -16.901 -10.407 1.00 0.00 WAT +ATOM 24824 OH2 TIP3 6172 39.790 -17.017 -23.679 1.00 0.00 WAT +ATOM 24825 H1 TIP3 6172 39.712 -16.900 -24.645 1.00 0.00 WAT +ATOM 24826 H2 TIP3 6172 40.741 -16.855 -23.550 1.00 0.00 WAT +ATOM 24827 OH2 TIP3 6173 42.852 -14.689 -5.977 1.00 0.00 WAT +ATOM 24828 H1 TIP3 6173 43.520 -14.993 -6.599 1.00 0.00 WAT +ATOM 24829 H2 TIP3 6173 42.667 -15.532 -5.521 1.00 0.00 WAT +ATOM 24830 OH2 TIP3 6174 38.581 -19.907 -8.536 1.00 0.00 WAT +ATOM 24831 H1 TIP3 6174 38.608 -20.578 -9.243 1.00 0.00 WAT +ATOM 24832 H2 TIP3 6174 38.397 -19.102 -9.049 1.00 0.00 WAT +ATOM 24833 OH2 TIP3 6175 38.870 -21.478 -11.117 1.00 0.00 WAT +ATOM 24834 H1 TIP3 6175 39.350 -20.902 -11.747 1.00 0.00 WAT +ATOM 24835 H2 TIP3 6175 37.950 -21.451 -11.458 1.00 0.00 WAT +ATOM 24836 OH2 TIP3 6176 40.718 -16.075 -10.789 1.00 0.00 WAT +ATOM 24837 H1 TIP3 6176 41.350 -16.067 -11.517 1.00 0.00 WAT +ATOM 24838 H2 TIP3 6176 40.281 -15.217 -10.921 1.00 0.00 WAT +ATOM 24839 OH2 TIP3 6177 36.825 -18.134 -6.667 1.00 0.00 WAT +ATOM 24840 H1 TIP3 6177 36.224 -18.897 -6.759 1.00 0.00 WAT +ATOM 24841 H2 TIP3 6177 37.551 -18.394 -7.257 1.00 0.00 WAT +ATOM 24842 OH2 TIP3 6178 39.709 -24.099 -10.762 1.00 0.00 WAT +ATOM 24843 H1 TIP3 6178 39.470 -23.162 -10.934 1.00 0.00 WAT +ATOM 24844 H2 TIP3 6178 39.036 -24.556 -11.305 1.00 0.00 WAT +ATOM 24845 OH2 TIP3 6179 41.026 -19.630 -6.990 1.00 0.00 WAT +ATOM 24846 H1 TIP3 6179 40.606 -19.934 -6.171 1.00 0.00 WAT +ATOM 24847 H2 TIP3 6179 40.319 -19.839 -7.632 1.00 0.00 WAT +ATOM 24848 OH2 TIP3 6180 35.428 -20.634 -6.942 1.00 0.00 WAT +ATOM 24849 H1 TIP3 6180 35.298 -21.327 -7.613 1.00 0.00 WAT +ATOM 24850 H2 TIP3 6180 35.161 -21.105 -6.132 1.00 0.00 WAT +ATOM 24851 OH2 TIP3 6181 39.462 -24.631 -7.927 1.00 0.00 WAT +ATOM 24852 H1 TIP3 6181 40.054 -25.395 -7.908 1.00 0.00 WAT +ATOM 24853 H2 TIP3 6181 39.394 -24.472 -8.889 1.00 0.00 WAT +ATOM 24854 OH2 TIP3 6182 40.358 -22.816 -5.997 1.00 0.00 WAT +ATOM 24855 H1 TIP3 6182 40.093 -23.383 -6.750 1.00 0.00 WAT +ATOM 24856 H2 TIP3 6182 39.694 -22.110 -6.037 1.00 0.00 WAT +ATOM 24857 OH2 TIP3 6183 39.555 -5.758 -22.578 1.00 0.00 WAT +ATOM 24858 H1 TIP3 6183 40.518 -5.696 -22.489 1.00 0.00 WAT +ATOM 24859 H2 TIP3 6183 39.413 -5.340 -23.432 1.00 0.00 WAT +ATOM 24860 OH2 TIP3 6184 33.295 -11.371 -23.114 1.00 0.00 WAT +ATOM 24861 H1 TIP3 6184 34.249 -11.198 -22.952 1.00 0.00 WAT +ATOM 24862 H2 TIP3 6184 33.335 -12.126 -23.730 1.00 0.00 WAT +ATOM 24863 OH2 TIP3 6185 32.341 -6.151 -18.332 1.00 0.00 WAT +ATOM 24864 H1 TIP3 6185 31.606 -6.529 -18.852 1.00 0.00 WAT +ATOM 24865 H2 TIP3 6185 32.443 -6.828 -17.629 1.00 0.00 WAT +ATOM 24866 OH2 TIP3 6186 32.733 -8.125 -16.399 1.00 0.00 WAT +ATOM 24867 H1 TIP3 6186 32.509 -9.011 -16.049 1.00 0.00 WAT +ATOM 24868 H2 TIP3 6186 33.018 -7.754 -15.549 1.00 0.00 WAT +ATOM 24869 OH2 TIP3 6187 32.682 -14.776 -13.895 1.00 0.00 WAT +ATOM 24870 H1 TIP3 6187 32.817 -14.496 -14.812 1.00 0.00 WAT +ATOM 24871 H2 TIP3 6187 33.597 -14.817 -13.564 1.00 0.00 WAT +ATOM 24872 OH2 TIP3 6188 32.753 -19.419 -7.455 1.00 0.00 WAT +ATOM 24873 H1 TIP3 6188 33.665 -19.743 -7.550 1.00 0.00 WAT +ATOM 24874 H2 TIP3 6188 32.253 -20.255 -7.492 1.00 0.00 WAT +ATOM 24875 OH2 TIP3 6189 33.491 -21.113 -14.792 1.00 0.00 WAT +ATOM 24876 H1 TIP3 6189 33.910 -21.974 -14.628 1.00 0.00 WAT +ATOM 24877 H2 TIP3 6189 34.143 -20.511 -14.387 1.00 0.00 WAT +ATOM 24878 OH2 TIP3 6190 32.077 -18.463 -13.683 1.00 0.00 WAT +ATOM 24879 H1 TIP3 6190 32.618 -18.408 -14.486 1.00 0.00 WAT +ATOM 24880 H2 TIP3 6190 32.350 -17.659 -13.219 1.00 0.00 WAT +ATOM 24881 OH2 TIP3 6191 32.544 -22.166 -19.725 1.00 0.00 WAT +ATOM 24882 H1 TIP3 6191 31.581 -22.045 -19.801 1.00 0.00 WAT +ATOM 24883 H2 TIP3 6191 32.909 -21.467 -20.302 1.00 0.00 WAT +ATOM 24884 OH2 TIP3 6192 32.569 -23.075 -11.404 1.00 0.00 WAT +ATOM 24885 H1 TIP3 6192 31.907 -23.633 -10.978 1.00 0.00 WAT +ATOM 24886 H2 TIP3 6192 32.061 -22.728 -12.158 1.00 0.00 WAT +ATOM 24887 OH2 TIP3 6193 34.555 -10.128 -6.773 1.00 0.00 WAT +ATOM 24888 H1 TIP3 6193 33.865 -10.095 -7.456 1.00 0.00 WAT +ATOM 24889 H2 TIP3 6193 34.031 -10.109 -5.964 1.00 0.00 WAT +ATOM 24890 OH2 TIP3 6194 37.418 -9.106 -11.103 1.00 0.00 WAT +ATOM 24891 H1 TIP3 6194 37.068 -8.282 -11.486 1.00 0.00 WAT +ATOM 24892 H2 TIP3 6194 38.366 -8.997 -11.313 1.00 0.00 WAT +ATOM 24893 OH2 TIP3 6195 42.193 -7.492 -8.246 1.00 0.00 WAT +ATOM 24894 H1 TIP3 6195 42.054 -7.855 -7.358 1.00 0.00 WAT +ATOM 24895 H2 TIP3 6195 43.139 -7.265 -8.194 1.00 0.00 WAT +ATOM 24896 OH2 TIP3 6196 34.799 -6.143 -10.789 1.00 0.00 WAT +ATOM 24897 H1 TIP3 6196 34.166 -5.590 -11.281 1.00 0.00 WAT +ATOM 24898 H2 TIP3 6196 34.438 -6.061 -9.897 1.00 0.00 WAT +ATOM 24899 OH2 TIP3 6197 37.314 -6.370 -12.206 1.00 0.00 WAT +ATOM 24900 H1 TIP3 6197 36.434 -6.232 -11.799 1.00 0.00 WAT +ATOM 24901 H2 TIP3 6197 37.306 -5.714 -12.923 1.00 0.00 WAT +ATOM 24902 OH2 TIP3 6198 41.961 -6.624 -12.672 1.00 0.00 WAT +ATOM 24903 H1 TIP3 6198 41.780 -6.163 -13.506 1.00 0.00 WAT +ATOM 24904 H2 TIP3 6198 42.569 -6.025 -12.229 1.00 0.00 WAT +ATOM 24905 OH2 TIP3 6199 34.402 -7.289 -13.821 1.00 0.00 WAT +ATOM 24906 H1 TIP3 6199 34.256 -7.868 -13.038 1.00 0.00 WAT +ATOM 24907 H2 TIP3 6199 35.049 -7.835 -14.306 1.00 0.00 WAT +ATOM 24908 OH2 TIP3 6200 36.364 -8.632 -15.464 1.00 0.00 WAT +ATOM 24909 H1 TIP3 6200 36.168 -9.540 -15.151 1.00 0.00 WAT +ATOM 24910 H2 TIP3 6200 37.258 -8.484 -15.101 1.00 0.00 WAT +ATOM 24911 OH2 TIP3 6201 39.136 -8.122 -14.537 1.00 0.00 WAT +ATOM 24912 H1 TIP3 6201 39.340 -9.043 -14.774 1.00 0.00 WAT +ATOM 24913 H2 TIP3 6201 39.193 -8.165 -13.570 1.00 0.00 WAT +ATOM 24914 OH2 TIP3 6202 42.702 -22.661 -15.173 1.00 0.00 WAT +ATOM 24915 H1 TIP3 6202 41.823 -23.066 -15.067 1.00 0.00 WAT +ATOM 24916 H2 TIP3 6202 42.931 -22.944 -16.063 1.00 0.00 WAT +ATOM 24917 OH2 TIP3 6203 34.825 -23.542 -17.726 1.00 0.00 WAT +ATOM 24918 H1 TIP3 6203 33.944 -23.704 -18.118 1.00 0.00 WAT +ATOM 24919 H2 TIP3 6203 35.228 -24.425 -17.793 1.00 0.00 WAT +ATOM 24920 OH2 TIP3 6204 33.505 -24.011 -21.873 1.00 0.00 WAT +ATOM 24921 H1 TIP3 6204 34.121 -23.379 -22.290 1.00 0.00 WAT +ATOM 24922 H2 TIP3 6204 33.222 -23.524 -21.077 1.00 0.00 WAT +ATOM 24923 OH2 TIP3 6205 39.328 -23.736 -17.801 1.00 0.00 WAT +ATOM 24924 H1 TIP3 6205 40.252 -23.427 -17.855 1.00 0.00 WAT +ATOM 24925 H2 TIP3 6205 39.226 -23.808 -16.844 1.00 0.00 WAT +ATOM 24926 OH2 TIP3 6206 33.819 -8.104 -20.661 1.00 0.00 WAT +ATOM 24927 H1 TIP3 6206 33.154 -8.197 -21.357 1.00 0.00 WAT +ATOM 24928 H2 TIP3 6206 33.790 -7.150 -20.509 1.00 0.00 WAT +ATOM 24929 OH2 TIP3 6207 35.335 -22.246 -23.389 1.00 0.00 WAT +ATOM 24930 H1 TIP3 6207 35.959 -22.813 -23.874 1.00 0.00 WAT +ATOM 24931 H2 TIP3 6207 35.915 -21.895 -22.684 1.00 0.00 WAT +ATOM 24932 OH2 TIP3 6208 40.635 -22.106 -20.818 1.00 0.00 WAT +ATOM 24933 H1 TIP3 6208 40.625 -22.717 -20.067 1.00 0.00 WAT +ATOM 24934 H2 TIP3 6208 40.607 -21.245 -20.353 1.00 0.00 WAT +ATOM 24935 OH2 TIP3 6209 42.709 -6.213 -22.791 1.00 0.00 WAT +ATOM 24936 H1 TIP3 6209 43.642 -6.209 -22.487 1.00 0.00 WAT +ATOM 24937 H2 TIP3 6209 42.640 -7.062 -23.253 1.00 0.00 WAT +ATOM 24938 OH2 TIP3 6210 34.589 -23.283 -8.064 1.00 0.00 WAT +ATOM 24939 H1 TIP3 6210 34.189 -24.136 -7.815 1.00 0.00 WAT +ATOM 24940 H2 TIP3 6210 35.527 -23.465 -7.918 1.00 0.00 WAT +ATOM 24941 OH2 TIP3 6211 37.043 -23.918 -6.354 1.00 0.00 WAT +ATOM 24942 H1 TIP3 6211 37.830 -24.296 -6.792 1.00 0.00 WAT +ATOM 24943 H2 TIP3 6211 36.615 -24.717 -6.008 1.00 0.00 WAT +ATOM 24944 OH2 TIP3 6212 35.217 -7.178 -23.856 1.00 0.00 WAT +ATOM 24945 H1 TIP3 6212 34.996 -6.908 -22.952 1.00 0.00 WAT +ATOM 24946 H2 TIP3 6212 36.001 -7.735 -23.715 1.00 0.00 WAT +ATOM 24947 OH2 TIP3 6213 -31.606 4.027 -17.386 1.00 0.00 WAT +ATOM 24948 H1 TIP3 6213 -31.584 4.993 -17.294 1.00 0.00 WAT +ATOM 24949 H2 TIP3 6213 -32.353 3.904 -17.990 1.00 0.00 WAT +ATOM 24950 OH2 TIP3 6214 -32.813 3.493 -14.334 1.00 0.00 WAT +ATOM 24951 H1 TIP3 6214 -32.781 2.907 -13.561 1.00 0.00 WAT +ATOM 24952 H2 TIP3 6214 -33.034 2.869 -15.041 1.00 0.00 WAT +ATOM 24953 OH2 TIP3 6215 -40.284 3.083 -12.700 1.00 0.00 WAT +ATOM 24954 H1 TIP3 6215 -40.331 2.337 -12.072 1.00 0.00 WAT +ATOM 24955 H2 TIP3 6215 -39.587 3.618 -12.296 1.00 0.00 WAT +ATOM 24956 OH2 TIP3 6216 -29.103 6.145 -16.121 1.00 0.00 WAT +ATOM 24957 H1 TIP3 6216 -29.452 5.418 -15.585 1.00 0.00 WAT +ATOM 24958 H2 TIP3 6216 -28.826 6.768 -15.428 1.00 0.00 WAT +ATOM 24959 OH2 TIP3 6217 -39.596 7.697 -14.215 1.00 0.00 WAT +ATOM 24960 H1 TIP3 6217 -39.877 6.795 -14.463 1.00 0.00 WAT +ATOM 24961 H2 TIP3 6217 -38.671 7.538 -13.977 1.00 0.00 WAT +ATOM 24962 OH2 TIP3 6218 -42.215 1.457 -20.139 1.00 0.00 WAT +ATOM 24963 H1 TIP3 6218 -42.532 2.194 -19.597 1.00 0.00 WAT +ATOM 24964 H2 TIP3 6218 -42.882 0.784 -19.944 1.00 0.00 WAT +ATOM 24965 OH2 TIP3 6219 -42.056 3.443 -17.146 1.00 0.00 WAT +ATOM 24966 H1 TIP3 6219 -41.871 2.824 -16.423 1.00 0.00 WAT +ATOM 24967 H2 TIP3 6219 -41.197 3.856 -17.292 1.00 0.00 WAT +ATOM 24968 OH2 TIP3 6220 -31.984 11.610 -15.452 1.00 0.00 WAT +ATOM 24969 H1 TIP3 6220 -31.426 10.878 -15.781 1.00 0.00 WAT +ATOM 24970 H2 TIP3 6220 -32.289 11.253 -14.606 1.00 0.00 WAT +ATOM 24971 OH2 TIP3 6221 -34.254 6.007 -13.784 1.00 0.00 WAT +ATOM 24972 H1 TIP3 6221 -33.943 5.262 -14.331 1.00 0.00 WAT +ATOM 24973 H2 TIP3 6221 -33.440 6.157 -13.268 1.00 0.00 WAT +ATOM 24974 OH2 TIP3 6222 -30.951 0.344 -13.279 1.00 0.00 WAT +ATOM 24975 H1 TIP3 6222 -30.842 -0.616 -13.185 1.00 0.00 WAT +ATOM 24976 H2 TIP3 6222 -31.050 0.443 -14.240 1.00 0.00 WAT +ATOM 24977 OH2 TIP3 6223 -37.999 -1.668 -16.194 1.00 0.00 WAT +ATOM 24978 H1 TIP3 6223 -37.856 -0.821 -16.660 1.00 0.00 WAT +ATOM 24979 H2 TIP3 6223 -38.329 -2.221 -16.932 1.00 0.00 WAT +ATOM 24980 OH2 TIP3 6224 -30.148 -1.486 -17.879 1.00 0.00 WAT +ATOM 24981 H1 TIP3 6224 -29.552 -1.898 -17.224 1.00 0.00 WAT +ATOM 24982 H2 TIP3 6224 -29.516 -0.989 -18.419 1.00 0.00 WAT +ATOM 24983 OH2 TIP3 6225 -41.379 1.084 -15.675 1.00 0.00 WAT +ATOM 24984 H1 TIP3 6225 -40.801 0.673 -15.008 1.00 0.00 WAT +ATOM 24985 H2 TIP3 6225 -41.181 0.525 -16.447 1.00 0.00 WAT +ATOM 24986 OH2 TIP3 6226 -35.932 2.457 -16.224 1.00 0.00 WAT +ATOM 24987 H1 TIP3 6226 -35.216 1.914 -15.839 1.00 0.00 WAT +ATOM 24988 H2 TIP3 6226 -36.432 1.783 -16.721 1.00 0.00 WAT +ATOM 24989 OH2 TIP3 6227 -39.178 -2.833 -12.012 1.00 0.00 WAT +ATOM 24990 H1 TIP3 6227 -39.648 -2.440 -12.760 1.00 0.00 WAT +ATOM 24991 H2 TIP3 6227 -39.812 -2.662 -11.288 1.00 0.00 WAT +ATOM 24992 OH2 TIP3 6228 -31.661 6.942 -18.660 1.00 0.00 WAT +ATOM 24993 H1 TIP3 6228 -32.063 6.619 -19.469 1.00 0.00 WAT +ATOM 24994 H2 TIP3 6228 -32.172 7.748 -18.469 1.00 0.00 WAT +ATOM 24995 OH2 TIP3 6229 -36.255 5.011 -11.915 1.00 0.00 WAT +ATOM 24996 H1 TIP3 6229 -36.987 5.606 -11.647 1.00 0.00 WAT +ATOM 24997 H2 TIP3 6229 -35.630 5.627 -12.338 1.00 0.00 WAT +ATOM 24998 OH2 TIP3 6230 -28.249 -2.154 -15.718 1.00 0.00 WAT +ATOM 24999 H1 TIP3 6230 -28.741 -2.702 -15.090 1.00 0.00 WAT +ATOM 25000 H2 TIP3 6230 -27.753 -1.549 -15.136 1.00 0.00 WAT +ATOM 25001 OH2 TIP3 6231 -39.582 -0.773 -14.129 1.00 0.00 WAT +ATOM 25002 H1 TIP3 6231 -38.924 -0.227 -13.650 1.00 0.00 WAT +ATOM 25003 H2 TIP3 6231 -39.006 -1.170 -14.820 1.00 0.00 WAT +ATOM 25004 OH2 TIP3 6232 -38.280 6.874 -11.199 1.00 0.00 WAT +ATOM 25005 H1 TIP3 6232 -38.304 7.807 -11.479 1.00 0.00 WAT +ATOM 25006 H2 TIP3 6232 -39.153 6.801 -10.769 1.00 0.00 WAT +ATOM 25007 OH2 TIP3 6233 -41.821 6.539 -20.287 1.00 0.00 WAT +ATOM 25008 H1 TIP3 6233 -42.645 6.704 -20.785 1.00 0.00 WAT +ATOM 25009 H2 TIP3 6233 -41.922 7.118 -19.512 1.00 0.00 WAT +ATOM 25010 OH2 TIP3 6234 -28.573 7.993 -13.924 1.00 0.00 WAT +ATOM 25011 H1 TIP3 6234 -29.522 8.161 -13.776 1.00 0.00 WAT +ATOM 25012 H2 TIP3 6234 -28.246 8.898 -14.078 1.00 0.00 WAT +ATOM 25013 OH2 TIP3 6235 -27.896 -2.933 -12.154 1.00 0.00 WAT +ATOM 25014 H1 TIP3 6235 -28.773 -2.703 -12.504 1.00 0.00 WAT +ATOM 25015 H2 TIP3 6235 -27.315 -2.762 -12.900 1.00 0.00 WAT +ATOM 25016 OH2 TIP3 6236 -35.035 -5.387 -14.915 1.00 0.00 WAT +ATOM 25017 H1 TIP3 6236 -35.282 -6.327 -14.997 1.00 0.00 WAT +ATOM 25018 H2 TIP3 6236 -35.866 -4.996 -14.570 1.00 0.00 WAT +ATOM 25019 OH2 TIP3 6237 -30.224 9.976 -16.949 1.00 0.00 WAT +ATOM 25020 H1 TIP3 6237 -29.757 9.165 -17.239 1.00 0.00 WAT +ATOM 25021 H2 TIP3 6237 -29.541 10.654 -17.084 1.00 0.00 WAT +ATOM 25022 OH2 TIP3 6238 -28.760 7.869 -18.341 1.00 0.00 WAT +ATOM 25023 H1 TIP3 6238 -29.238 7.383 -19.030 1.00 0.00 WAT +ATOM 25024 H2 TIP3 6238 -28.798 7.213 -17.616 1.00 0.00 WAT +ATOM 25025 OH2 TIP3 6239 -27.735 6.780 -9.773 1.00 0.00 WAT +ATOM 25026 H1 TIP3 6239 -27.381 6.062 -10.317 1.00 0.00 WAT +ATOM 25027 H2 TIP3 6239 -27.164 7.521 -10.009 1.00 0.00 WAT +ATOM 25028 OH2 TIP3 6240 -32.953 3.591 -20.153 1.00 0.00 WAT +ATOM 25029 H1 TIP3 6240 -33.612 4.156 -20.594 1.00 0.00 WAT +ATOM 25030 H2 TIP3 6240 -32.226 3.581 -20.800 1.00 0.00 WAT +ATOM 25031 OH2 TIP3 6241 -32.604 1.728 -23.179 1.00 0.00 WAT +ATOM 25032 H1 TIP3 6241 -31.880 2.024 -22.597 1.00 0.00 WAT +ATOM 25033 H2 TIP3 6241 -32.172 1.052 -23.711 1.00 0.00 WAT +ATOM 25034 OH2 TIP3 6242 -25.922 2.872 -12.514 1.00 0.00 WAT +ATOM 25035 H1 TIP3 6242 -26.527 3.624 -12.371 1.00 0.00 WAT +ATOM 25036 H2 TIP3 6242 -25.141 3.317 -12.880 1.00 0.00 WAT +ATOM 25037 OH2 TIP3 6243 -29.465 3.558 -19.103 1.00 0.00 WAT +ATOM 25038 H1 TIP3 6243 -30.108 3.737 -18.382 1.00 0.00 WAT +ATOM 25039 H2 TIP3 6243 -28.778 3.053 -18.614 1.00 0.00 WAT +ATOM 25040 OH2 TIP3 6244 -29.538 2.043 -10.255 1.00 0.00 WAT +ATOM 25041 H1 TIP3 6244 -29.573 2.804 -9.659 1.00 0.00 WAT +ATOM 25042 H2 TIP3 6244 -30.145 2.359 -10.946 1.00 0.00 WAT +ATOM 25043 OH2 TIP3 6245 -37.814 4.350 -17.322 1.00 0.00 WAT +ATOM 25044 H1 TIP3 6245 -38.148 3.893 -18.119 1.00 0.00 WAT +ATOM 25045 H2 TIP3 6245 -37.186 3.696 -16.965 1.00 0.00 WAT +ATOM 25046 OH2 TIP3 6246 -36.451 7.759 -14.575 1.00 0.00 WAT +ATOM 25047 H1 TIP3 6246 -36.578 7.338 -15.435 1.00 0.00 WAT +ATOM 25048 H2 TIP3 6246 -35.668 7.280 -14.237 1.00 0.00 WAT +ATOM 25049 OH2 TIP3 6247 -37.292 3.194 -13.839 1.00 0.00 WAT +ATOM 25050 H1 TIP3 6247 -36.686 3.181 -14.605 1.00 0.00 WAT +ATOM 25051 H2 TIP3 6247 -36.857 3.818 -13.228 1.00 0.00 WAT +ATOM 25052 OH2 TIP3 6248 -31.375 8.705 -13.222 1.00 0.00 WAT +ATOM 25053 H1 TIP3 6248 -31.267 9.324 -12.478 1.00 0.00 WAT +ATOM 25054 H2 TIP3 6248 -31.547 7.855 -12.781 1.00 0.00 WAT +ATOM 25055 OH2 TIP3 6249 -36.403 7.491 -9.004 1.00 0.00 WAT +ATOM 25056 H1 TIP3 6249 -36.930 8.101 -8.459 1.00 0.00 WAT +ATOM 25057 H2 TIP3 6249 -37.063 7.197 -9.659 1.00 0.00 WAT +ATOM 25058 OH2 TIP3 6250 -30.500 3.032 -21.629 1.00 0.00 WAT +ATOM 25059 H1 TIP3 6250 -30.013 3.249 -20.803 1.00 0.00 WAT +ATOM 25060 H2 TIP3 6250 -29.975 3.535 -22.299 1.00 0.00 WAT +ATOM 25061 OH2 TIP3 6251 -39.564 3.844 -9.834 1.00 0.00 WAT +ATOM 25062 H1 TIP3 6251 -39.480 4.426 -9.056 1.00 0.00 WAT +ATOM 25063 H2 TIP3 6251 -40.533 3.773 -9.911 1.00 0.00 WAT +ATOM 25064 OH2 TIP3 6252 -33.022 9.627 -18.079 1.00 0.00 WAT +ATOM 25065 H1 TIP3 6252 -32.561 9.878 -17.270 1.00 0.00 WAT +ATOM 25066 H2 TIP3 6252 -33.536 10.418 -18.299 1.00 0.00 WAT +ATOM 25067 OH2 TIP3 6253 -38.358 9.689 -8.142 1.00 0.00 WAT +ATOM 25068 H1 TIP3 6253 -38.425 9.658 -9.112 1.00 0.00 WAT +ATOM 25069 H2 TIP3 6253 -39.256 9.448 -7.854 1.00 0.00 WAT +ATOM 25070 OH2 TIP3 6254 -27.007 -5.300 -22.104 1.00 0.00 WAT +ATOM 25071 H1 TIP3 6254 -27.901 -5.183 -21.735 1.00 0.00 WAT +ATOM 25072 H2 TIP3 6254 -26.729 -4.372 -22.231 1.00 0.00 WAT +ATOM 25073 OH2 TIP3 6255 -38.925 3.083 -19.771 1.00 0.00 WAT +ATOM 25074 H1 TIP3 6255 -39.173 3.834 -20.333 1.00 0.00 WAT +ATOM 25075 H2 TIP3 6255 -39.587 2.420 -20.016 1.00 0.00 WAT +ATOM 25076 OH2 TIP3 6256 -25.673 8.892 -23.596 1.00 0.00 WAT +ATOM 25077 H1 TIP3 6256 -25.511 9.819 -23.337 1.00 0.00 WAT +ATOM 25078 H2 TIP3 6256 -24.804 8.483 -23.415 1.00 0.00 WAT +ATOM 25079 OH2 TIP3 6257 -42.722 5.913 -11.251 1.00 0.00 WAT +ATOM 25080 H1 TIP3 6257 -42.868 5.547 -12.141 1.00 0.00 WAT +ATOM 25081 H2 TIP3 6257 -43.030 5.175 -10.698 1.00 0.00 WAT +ATOM 25082 OH2 TIP3 6258 -42.804 8.742 -14.291 1.00 0.00 WAT +ATOM 25083 H1 TIP3 6258 -41.992 8.255 -14.101 1.00 0.00 WAT +ATOM 25084 H2 TIP3 6258 -42.988 9.170 -13.447 1.00 0.00 WAT +ATOM 25085 OH2 TIP3 6259 -33.782 8.519 -9.557 1.00 0.00 WAT +ATOM 25086 H1 TIP3 6259 -33.705 9.329 -9.018 1.00 0.00 WAT +ATOM 25087 H2 TIP3 6259 -34.678 8.206 -9.314 1.00 0.00 WAT +ATOM 25088 OH2 TIP3 6260 -33.530 12.353 -19.561 1.00 0.00 WAT +ATOM 25089 H1 TIP3 6260 -33.486 12.421 -20.528 1.00 0.00 WAT +ATOM 25090 H2 TIP3 6260 -33.423 13.271 -19.267 1.00 0.00 WAT +ATOM 25091 OH2 TIP3 6261 -39.779 11.466 -17.924 1.00 0.00 WAT +ATOM 25092 H1 TIP3 6261 -39.530 11.049 -17.073 1.00 0.00 WAT +ATOM 25093 H2 TIP3 6261 -40.557 10.925 -18.142 1.00 0.00 WAT +ATOM 25094 OH2 TIP3 6262 -30.204 11.752 -22.411 1.00 0.00 WAT +ATOM 25095 H1 TIP3 6262 -29.614 11.104 -22.844 1.00 0.00 WAT +ATOM 25096 H2 TIP3 6262 -30.254 11.387 -21.504 1.00 0.00 WAT +ATOM 25097 OH2 TIP3 6263 -30.798 11.194 -19.582 1.00 0.00 WAT +ATOM 25098 H1 TIP3 6263 -31.756 11.279 -19.432 1.00 0.00 WAT +ATOM 25099 H2 TIP3 6263 -30.610 10.456 -18.975 1.00 0.00 WAT +ATOM 25100 OH2 TIP3 6264 -27.654 0.705 -7.719 1.00 0.00 WAT +ATOM 25101 H1 TIP3 6264 -27.906 1.050 -8.581 1.00 0.00 WAT +ATOM 25102 H2 TIP3 6264 -27.231 -0.134 -7.965 1.00 0.00 WAT +ATOM 25103 OH2 TIP3 6265 -40.711 7.298 -9.771 1.00 0.00 WAT +ATOM 25104 H1 TIP3 6265 -40.417 6.742 -9.022 1.00 0.00 WAT +ATOM 25105 H2 TIP3 6265 -41.463 6.792 -10.145 1.00 0.00 WAT +ATOM 25106 OH2 TIP3 6266 -37.473 -4.228 -14.030 1.00 0.00 WAT +ATOM 25107 H1 TIP3 6266 -38.293 -4.322 -14.548 1.00 0.00 WAT +ATOM 25108 H2 TIP3 6266 -37.722 -3.495 -13.446 1.00 0.00 WAT +ATOM 25109 OH2 TIP3 6267 -33.106 -4.644 -10.402 1.00 0.00 WAT +ATOM 25110 H1 TIP3 6267 -32.589 -5.158 -9.752 1.00 0.00 WAT +ATOM 25111 H2 TIP3 6267 -34.014 -4.976 -10.271 1.00 0.00 WAT +ATOM 25112 OH2 TIP3 6268 -29.779 -0.912 -9.859 1.00 0.00 WAT +ATOM 25113 H1 TIP3 6268 -30.348 -1.090 -9.092 1.00 0.00 WAT +ATOM 25114 H2 TIP3 6268 -29.879 0.046 -9.986 1.00 0.00 WAT +ATOM 25115 OH2 TIP3 6269 -28.907 4.193 -23.552 1.00 0.00 WAT +ATOM 25116 H1 TIP3 6269 -29.145 3.952 -24.477 1.00 0.00 WAT +ATOM 25117 H2 TIP3 6269 -27.946 4.288 -23.635 1.00 0.00 WAT +ATOM 25118 OH2 TIP3 6270 -33.416 -2.085 -23.116 1.00 0.00 WAT +ATOM 25119 H1 TIP3 6270 -33.806 -2.336 -22.264 1.00 0.00 WAT +ATOM 25120 H2 TIP3 6270 -33.720 -2.821 -23.675 1.00 0.00 WAT +ATOM 25121 OH2 TIP3 6271 -37.611 0.564 -12.640 1.00 0.00 WAT +ATOM 25122 H1 TIP3 6271 -38.182 0.667 -11.861 1.00 0.00 WAT +ATOM 25123 H2 TIP3 6271 -37.555 1.480 -12.984 1.00 0.00 WAT +ATOM 25124 OH2 TIP3 6272 -37.701 0.630 -17.751 1.00 0.00 WAT +ATOM 25125 H1 TIP3 6272 -38.656 0.543 -17.934 1.00 0.00 WAT +ATOM 25126 H2 TIP3 6272 -37.335 0.441 -18.638 1.00 0.00 WAT +ATOM 25127 OH2 TIP3 6273 -32.082 1.200 -18.954 1.00 0.00 WAT +ATOM 25128 H1 TIP3 6273 -32.477 2.024 -19.307 1.00 0.00 WAT +ATOM 25129 H2 TIP3 6273 -31.358 1.048 -19.586 1.00 0.00 WAT +ATOM 25130 OH2 TIP3 6274 -32.872 1.405 -7.601 1.00 0.00 WAT +ATOM 25131 H1 TIP3 6274 -33.382 0.642 -7.258 1.00 0.00 WAT +ATOM 25132 H2 TIP3 6274 -31.992 1.243 -7.213 1.00 0.00 WAT +ATOM 25133 OH2 TIP3 6275 -31.193 0.595 -16.174 1.00 0.00 WAT +ATOM 25134 H1 TIP3 6275 -31.481 1.188 -16.897 1.00 0.00 WAT +ATOM 25135 H2 TIP3 6275 -30.993 -0.207 -16.698 1.00 0.00 WAT +ATOM 25136 OH2 TIP3 6276 -40.275 0.744 -10.782 1.00 0.00 WAT +ATOM 25137 H1 TIP3 6276 -39.946 1.084 -9.941 1.00 0.00 WAT +ATOM 25138 H2 TIP3 6276 -40.524 -0.165 -10.543 1.00 0.00 WAT +ATOM 25139 OH2 TIP3 6277 -36.922 -1.548 -24.147 1.00 0.00 WAT +ATOM 25140 H1 TIP3 6277 -37.242 -2.022 -23.350 1.00 0.00 WAT +ATOM 25141 H2 TIP3 6277 -37.655 -1.658 -24.756 1.00 0.00 WAT +ATOM 25142 OH2 TIP3 6278 -43.135 -1.628 -17.165 1.00 0.00 WAT +ATOM 25143 H1 TIP3 6278 -43.066 -1.999 -16.269 1.00 0.00 WAT +ATOM 25144 H2 TIP3 6278 -42.877 -2.371 -17.727 1.00 0.00 WAT +ATOM 25145 OH2 TIP3 6279 -42.046 -1.220 -21.323 1.00 0.00 WAT +ATOM 25146 H1 TIP3 6279 -41.458 -1.019 -22.060 1.00 0.00 WAT +ATOM 25147 H2 TIP3 6279 -42.897 -0.862 -21.580 1.00 0.00 WAT +ATOM 25148 OH2 TIP3 6280 -32.087 2.277 -11.711 1.00 0.00 WAT +ATOM 25149 H1 TIP3 6280 -31.646 1.553 -12.212 1.00 0.00 WAT +ATOM 25150 H2 TIP3 6280 -32.420 1.797 -10.940 1.00 0.00 WAT +ATOM 25151 OH2 TIP3 6281 -34.896 -1.770 -16.710 1.00 0.00 WAT +ATOM 25152 H1 TIP3 6281 -35.842 -1.841 -16.496 1.00 0.00 WAT +ATOM 25153 H2 TIP3 6281 -34.488 -1.968 -15.850 1.00 0.00 WAT +ATOM 25154 OH2 TIP3 6282 -40.378 -0.494 -18.130 1.00 0.00 WAT +ATOM 25155 H1 TIP3 6282 -41.198 -0.479 -18.641 1.00 0.00 WAT +ATOM 25156 H2 TIP3 6282 -40.009 -1.355 -18.406 1.00 0.00 WAT +ATOM 25157 OH2 TIP3 6283 -36.712 -0.181 -20.333 1.00 0.00 WAT +ATOM 25158 H1 TIP3 6283 -35.739 -0.169 -20.277 1.00 0.00 WAT +ATOM 25159 H2 TIP3 6283 -36.908 0.417 -21.071 1.00 0.00 WAT +ATOM 25160 OH2 TIP3 6284 -30.436 -2.695 -13.653 1.00 0.00 WAT +ATOM 25161 H1 TIP3 6284 -31.064 -2.650 -12.898 1.00 0.00 WAT +ATOM 25162 H2 TIP3 6284 -31.035 -3.021 -14.345 1.00 0.00 WAT +ATOM 25163 OH2 TIP3 6285 -38.295 1.124 -22.624 1.00 0.00 WAT +ATOM 25164 H1 TIP3 6285 -38.799 0.664 -23.308 1.00 0.00 WAT +ATOM 25165 H2 TIP3 6285 -37.434 1.236 -23.059 1.00 0.00 WAT +ATOM 25166 OH2 TIP3 6286 -27.380 13.081 -7.158 1.00 0.00 WAT +ATOM 25167 H1 TIP3 6286 -27.091 13.428 -8.015 1.00 0.00 WAT +ATOM 25168 H2 TIP3 6286 -26.740 13.461 -6.553 1.00 0.00 WAT +ATOM 25169 OH2 TIP3 6287 -39.559 5.779 -7.639 1.00 0.00 WAT +ATOM 25170 H1 TIP3 6287 -38.896 5.792 -6.905 1.00 0.00 WAT +ATOM 25171 H2 TIP3 6287 -40.370 5.892 -7.097 1.00 0.00 WAT +ATOM 25172 OH2 TIP3 6288 -33.892 0.761 -14.892 1.00 0.00 WAT +ATOM 25173 H1 TIP3 6288 -33.160 0.330 -15.358 1.00 0.00 WAT +ATOM 25174 H2 TIP3 6288 -34.046 0.147 -14.146 1.00 0.00 WAT +ATOM 25175 OH2 TIP3 6289 -38.733 -2.897 -18.623 1.00 0.00 WAT +ATOM 25176 H1 TIP3 6289 -39.236 -3.721 -18.703 1.00 0.00 WAT +ATOM 25177 H2 TIP3 6289 -37.935 -3.123 -19.121 1.00 0.00 WAT +ATOM 25178 OH2 TIP3 6290 -34.899 -0.777 -12.649 1.00 0.00 WAT +ATOM 25179 H1 TIP3 6290 -35.679 -0.198 -12.636 1.00 0.00 WAT +ATOM 25180 H2 TIP3 6290 -34.424 -0.524 -11.831 1.00 0.00 WAT +ATOM 25181 OH2 TIP3 6291 -34.816 5.664 -20.766 1.00 0.00 WAT +ATOM 25182 H1 TIP3 6291 -35.557 5.113 -21.097 1.00 0.00 WAT +ATOM 25183 H2 TIP3 6291 -34.974 5.666 -19.793 1.00 0.00 WAT +ATOM 25184 OH2 TIP3 6292 -27.800 4.972 -12.055 1.00 0.00 WAT +ATOM 25185 H1 TIP3 6292 -27.219 5.512 -12.626 1.00 0.00 WAT +ATOM 25186 H2 TIP3 6292 -28.565 4.803 -12.641 1.00 0.00 WAT +ATOM 25187 OH2 TIP3 6293 -30.718 -1.469 -22.927 1.00 0.00 WAT +ATOM 25188 H1 TIP3 6293 -31.691 -1.429 -23.016 1.00 0.00 WAT +ATOM 25189 H2 TIP3 6293 -30.488 -0.698 -22.379 1.00 0.00 WAT +ATOM 25190 OH2 TIP3 6294 -33.133 5.643 -9.436 1.00 0.00 WAT +ATOM 25191 H1 TIP3 6294 -33.442 5.299 -8.585 1.00 0.00 WAT +ATOM 25192 H2 TIP3 6294 -33.463 6.554 -9.421 1.00 0.00 WAT +ATOM 25193 OH2 TIP3 6295 -29.900 0.295 -20.840 1.00 0.00 WAT +ATOM 25194 H1 TIP3 6295 -29.002 0.106 -20.506 1.00 0.00 WAT +ATOM 25195 H2 TIP3 6295 -29.767 1.123 -21.330 1.00 0.00 WAT +ATOM 25196 OH2 TIP3 6296 -39.770 4.923 -15.054 1.00 0.00 WAT +ATOM 25197 H1 TIP3 6296 -39.080 4.843 -15.735 1.00 0.00 WAT +ATOM 25198 H2 TIP3 6296 -39.616 4.124 -14.521 1.00 0.00 WAT +ATOM 25199 OH2 TIP3 6297 -32.385 6.995 -21.862 1.00 0.00 WAT +ATOM 25200 H1 TIP3 6297 -32.632 7.828 -21.414 1.00 0.00 WAT +ATOM 25201 H2 TIP3 6297 -33.101 6.407 -21.564 1.00 0.00 WAT +ATOM 25202 OH2 TIP3 6298 -42.400 3.460 -9.394 1.00 0.00 WAT +ATOM 25203 H1 TIP3 6298 -42.308 2.821 -8.666 1.00 0.00 WAT +ATOM 25204 H2 TIP3 6298 -42.883 2.929 -10.070 1.00 0.00 WAT +ATOM 25205 OH2 TIP3 6299 -35.404 2.786 -7.679 1.00 0.00 WAT +ATOM 25206 H1 TIP3 6299 -35.746 2.526 -8.551 1.00 0.00 WAT +ATOM 25207 H2 TIP3 6299 -34.474 2.507 -7.760 1.00 0.00 WAT +ATOM 25208 OH2 TIP3 6300 -30.785 8.427 -9.992 1.00 0.00 WAT +ATOM 25209 H1 TIP3 6300 -31.751 8.362 -10.062 1.00 0.00 WAT +ATOM 25210 H2 TIP3 6300 -30.661 8.462 -9.031 1.00 0.00 WAT +ATOM 25211 OH2 TIP3 6301 -27.081 8.906 -21.033 1.00 0.00 WAT +ATOM 25212 H1 TIP3 6301 -27.473 8.145 -20.573 1.00 0.00 WAT +ATOM 25213 H2 TIP3 6301 -26.633 8.491 -21.783 1.00 0.00 WAT +ATOM 25214 OH2 TIP3 6302 -29.882 4.143 -13.848 1.00 0.00 WAT +ATOM 25215 H1 TIP3 6302 -30.820 3.956 -14.031 1.00 0.00 WAT +ATOM 25216 H2 TIP3 6302 -29.447 3.369 -14.261 1.00 0.00 WAT +ATOM 25217 OH2 TIP3 6303 -37.270 8.288 -17.681 1.00 0.00 WAT +ATOM 25218 H1 TIP3 6303 -36.851 9.156 -17.784 1.00 0.00 WAT +ATOM 25219 H2 TIP3 6303 -38.193 8.483 -17.887 1.00 0.00 WAT +ATOM 25220 OH2 TIP3 6304 -41.509 3.301 -23.021 1.00 0.00 WAT +ATOM 25221 H1 TIP3 6304 -40.787 3.815 -22.608 1.00 0.00 WAT +ATOM 25222 H2 TIP3 6304 -42.275 3.822 -22.754 1.00 0.00 WAT +ATOM 25223 OH2 TIP3 6305 -35.420 6.000 -18.047 1.00 0.00 WAT +ATOM 25224 H1 TIP3 6305 -35.765 6.896 -17.897 1.00 0.00 WAT +ATOM 25225 H2 TIP3 6305 -36.108 5.462 -17.626 1.00 0.00 WAT +ATOM 25226 OH2 TIP3 6306 -35.265 10.255 -11.694 1.00 0.00 WAT +ATOM 25227 H1 TIP3 6306 -34.678 10.977 -11.973 1.00 0.00 WAT +ATOM 25228 H2 TIP3 6306 -34.667 9.727 -11.139 1.00 0.00 WAT +ATOM 25229 OH2 TIP3 6307 -36.814 11.202 -18.481 1.00 0.00 WAT +ATOM 25230 H1 TIP3 6307 -37.769 11.319 -18.365 1.00 0.00 WAT +ATOM 25231 H2 TIP3 6307 -36.472 12.075 -18.216 1.00 0.00 WAT +ATOM 25232 OH2 TIP3 6308 -31.789 5.994 -12.109 1.00 0.00 WAT +ATOM 25233 H1 TIP3 6308 -32.128 5.681 -11.252 1.00 0.00 WAT +ATOM 25234 H2 TIP3 6308 -31.071 5.364 -12.278 1.00 0.00 WAT +ATOM 25235 OH2 TIP3 6309 -29.678 7.365 -23.156 1.00 0.00 WAT +ATOM 25236 H1 TIP3 6309 -29.238 6.823 -22.476 1.00 0.00 WAT +ATOM 25237 H2 TIP3 6309 -30.604 7.159 -22.935 1.00 0.00 WAT +ATOM 25238 OH2 TIP3 6310 -29.001 10.728 -9.311 1.00 0.00 WAT +ATOM 25239 H1 TIP3 6310 -29.562 10.096 -9.792 1.00 0.00 WAT +ATOM 25240 H2 TIP3 6310 -28.597 11.263 -10.008 1.00 0.00 WAT +ATOM 25241 OH2 TIP3 6311 -24.928 11.558 -22.668 1.00 0.00 WAT +ATOM 25242 H1 TIP3 6311 -24.251 12.219 -22.891 1.00 0.00 WAT +ATOM 25243 H2 TIP3 6311 -25.714 12.134 -22.661 1.00 0.00 WAT +ATOM 25244 OH2 TIP3 6312 -41.008 -1.979 -10.016 1.00 0.00 WAT +ATOM 25245 H1 TIP3 6312 -41.874 -1.608 -10.269 1.00 0.00 WAT +ATOM 25246 H2 TIP3 6312 -41.229 -2.839 -9.616 1.00 0.00 WAT +ATOM 25247 OH2 TIP3 6313 -28.516 5.963 -20.764 1.00 0.00 WAT +ATOM 25248 H1 TIP3 6313 -28.954 5.220 -20.315 1.00 0.00 WAT +ATOM 25249 H2 TIP3 6313 -27.583 5.773 -20.552 1.00 0.00 WAT +ATOM 25250 OH2 TIP3 6314 -41.275 9.719 -11.595 1.00 0.00 WAT +ATOM 25251 H1 TIP3 6314 -41.093 8.774 -11.501 1.00 0.00 WAT +ATOM 25252 H2 TIP3 6314 -40.957 10.038 -10.743 1.00 0.00 WAT +ATOM 25253 OH2 TIP3 6315 -35.463 8.336 -24.646 1.00 0.00 WAT +ATOM 25254 H1 TIP3 6315 -35.157 7.538 -25.117 1.00 0.00 WAT +ATOM 25255 H2 TIP3 6315 -35.876 7.939 -23.860 1.00 0.00 WAT +ATOM 25256 OH2 TIP3 6316 -36.641 7.860 -21.913 1.00 0.00 WAT +ATOM 25257 H1 TIP3 6316 -36.121 7.301 -21.314 1.00 0.00 WAT +ATOM 25258 H2 TIP3 6316 -36.468 8.758 -21.564 1.00 0.00 WAT +ATOM 25259 OH2 TIP3 6317 -39.878 5.276 -21.594 1.00 0.00 WAT +ATOM 25260 H1 TIP3 6317 -40.572 5.681 -21.020 1.00 0.00 WAT +ATOM 25261 H2 TIP3 6317 -39.344 6.062 -21.774 1.00 0.00 WAT +ATOM 25262 OH2 TIP3 6318 -32.030 -2.186 -11.456 1.00 0.00 WAT +ATOM 25263 H1 TIP3 6318 -31.417 -1.982 -10.734 1.00 0.00 WAT +ATOM 25264 H2 TIP3 6318 -32.568 -2.909 -11.079 1.00 0.00 WAT +ATOM 25265 OH2 TIP3 6319 -31.452 -2.748 -20.316 1.00 0.00 WAT +ATOM 25266 H1 TIP3 6319 -31.230 -2.231 -21.112 1.00 0.00 WAT +ATOM 25267 H2 TIP3 6319 -30.985 -2.258 -19.621 1.00 0.00 WAT +ATOM 25268 OH2 TIP3 6320 -33.639 9.526 -21.279 1.00 0.00 WAT +ATOM 25269 H1 TIP3 6320 -34.479 9.986 -21.121 1.00 0.00 WAT +ATOM 25270 H2 TIP3 6320 -33.313 9.958 -22.078 1.00 0.00 WAT +ATOM 25271 OH2 TIP3 6321 -34.069 -0.786 -19.291 1.00 0.00 WAT +ATOM 25272 H1 TIP3 6321 -33.297 -0.196 -19.163 1.00 0.00 WAT +ATOM 25273 H2 TIP3 6321 -34.339 -0.957 -18.369 1.00 0.00 WAT +ATOM 25274 OH2 TIP3 6322 -33.693 0.106 -10.140 1.00 0.00 WAT +ATOM 25275 H1 TIP3 6322 -33.633 0.623 -9.320 1.00 0.00 WAT +ATOM 25276 H2 TIP3 6322 -33.134 -0.656 -9.930 1.00 0.00 WAT +ATOM 25277 OH2 TIP3 6323 -33.425 -3.771 -18.342 1.00 0.00 WAT +ATOM 25278 H1 TIP3 6323 -33.647 -3.067 -17.704 1.00 0.00 WAT +ATOM 25279 H2 TIP3 6323 -32.721 -3.343 -18.868 1.00 0.00 WAT +ATOM 25280 OH2 TIP3 6324 -36.441 10.571 -21.295 1.00 0.00 WAT +ATOM 25281 H1 TIP3 6324 -36.523 11.397 -21.813 1.00 0.00 WAT +ATOM 25282 H2 TIP3 6324 -36.582 10.887 -20.382 1.00 0.00 WAT +ATOM 25283 OH2 TIP3 6325 -37.712 -2.749 -21.772 1.00 0.00 WAT +ATOM 25284 H1 TIP3 6325 -37.635 -1.978 -21.191 1.00 0.00 WAT +ATOM 25285 H2 TIP3 6325 -36.928 -3.275 -21.522 1.00 0.00 WAT +ATOM 25286 OH2 TIP3 6326 -27.053 -2.246 -9.169 1.00 0.00 WAT +ATOM 25287 H1 TIP3 6326 -27.987 -2.021 -9.248 1.00 0.00 WAT +ATOM 25288 H2 TIP3 6326 -26.761 -2.141 -10.083 1.00 0.00 WAT +ATOM 25289 OH2 TIP3 6327 -28.766 1.833 -15.191 1.00 0.00 WAT +ATOM 25290 H1 TIP3 6327 -29.570 1.395 -15.523 1.00 0.00 WAT +ATOM 25291 H2 TIP3 6327 -28.275 1.094 -14.787 1.00 0.00 WAT +ATOM 25292 OH2 TIP3 6328 -39.287 8.211 -22.807 1.00 0.00 WAT +ATOM 25293 H1 TIP3 6328 -38.509 8.556 -22.340 1.00 0.00 WAT +ATOM 25294 H2 TIP3 6328 -38.856 7.570 -23.389 1.00 0.00 WAT +ATOM 25295 OH2 TIP3 6329 -41.101 0.375 -23.921 1.00 0.00 WAT +ATOM 25296 H1 TIP3 6329 -41.034 1.162 -23.358 1.00 0.00 WAT +ATOM 25297 H2 TIP3 6329 -41.997 0.062 -23.806 1.00 0.00 WAT +ATOM 25298 OH2 TIP3 6330 -27.821 10.851 -14.013 1.00 0.00 WAT +ATOM 25299 H1 TIP3 6330 -27.903 11.768 -14.341 1.00 0.00 WAT +ATOM 25300 H2 TIP3 6330 -27.014 10.871 -13.495 1.00 0.00 WAT +ATOM 25301 OH2 TIP3 6331 -40.260 -4.757 -14.835 1.00 0.00 WAT +ATOM 25302 H1 TIP3 6331 -40.561 -4.781 -15.764 1.00 0.00 WAT +ATOM 25303 H2 TIP3 6331 -40.690 -5.559 -14.473 1.00 0.00 WAT +ATOM 25304 OH2 TIP3 6332 -41.348 8.936 -18.578 1.00 0.00 WAT +ATOM 25305 H1 TIP3 6332 -42.272 9.228 -18.524 1.00 0.00 WAT +ATOM 25306 H2 TIP3 6332 -41.061 9.310 -19.420 1.00 0.00 WAT +ATOM 25307 OH2 TIP3 6333 -42.145 11.681 -7.393 1.00 0.00 WAT +ATOM 25308 H1 TIP3 6333 -41.521 11.693 -6.645 1.00 0.00 WAT +ATOM 25309 H2 TIP3 6333 -42.140 10.714 -7.529 1.00 0.00 WAT +ATOM 25310 OH2 TIP3 6334 -37.152 10.887 -5.676 1.00 0.00 WAT +ATOM 25311 H1 TIP3 6334 -36.612 10.142 -5.368 1.00 0.00 WAT +ATOM 25312 H2 TIP3 6334 -37.466 10.542 -6.528 1.00 0.00 WAT +ATOM 25313 OH2 TIP3 6335 -33.240 10.053 -24.145 1.00 0.00 WAT +ATOM 25314 H1 TIP3 6335 -33.988 9.422 -24.223 1.00 0.00 WAT +ATOM 25315 H2 TIP3 6335 -32.516 9.492 -24.471 1.00 0.00 WAT +ATOM 25316 OH2 TIP3 6336 -30.937 9.132 -6.998 1.00 0.00 WAT +ATOM 25317 H1 TIP3 6336 -31.232 8.261 -6.668 1.00 0.00 WAT +ATOM 25318 H2 TIP3 6336 -30.081 9.249 -6.560 1.00 0.00 WAT +ATOM 25319 OH2 TIP3 6337 -28.579 9.970 -24.023 1.00 0.00 WAT +ATOM 25320 H1 TIP3 6337 -28.509 9.133 -23.530 1.00 0.00 WAT +ATOM 25321 H2 TIP3 6337 -27.774 9.948 -24.572 1.00 0.00 WAT +ATOM 25322 OH2 TIP3 6338 -42.010 5.768 -6.744 1.00 0.00 WAT +ATOM 25323 H1 TIP3 6338 -41.852 4.838 -6.956 1.00 0.00 WAT +ATOM 25324 H2 TIP3 6338 -42.900 5.919 -7.083 1.00 0.00 WAT +ATOM 25325 OH2 TIP3 6339 -37.808 5.760 -24.303 1.00 0.00 WAT +ATOM 25326 H1 TIP3 6339 -37.641 5.173 -23.546 1.00 0.00 WAT +ATOM 25327 H2 TIP3 6339 -36.942 5.719 -24.756 1.00 0.00 WAT +ATOM 25328 OH2 TIP3 6340 -35.280 5.563 -7.000 1.00 0.00 WAT +ATOM 25329 H1 TIP3 6340 -35.701 5.875 -7.816 1.00 0.00 WAT +ATOM 25330 H2 TIP3 6340 -35.301 4.589 -7.106 1.00 0.00 WAT +ATOM 25331 OH2 TIP3 6341 -32.580 7.120 -24.677 1.00 0.00 WAT +ATOM 25332 H1 TIP3 6341 -32.597 7.056 -23.704 1.00 0.00 WAT +ATOM 25333 H2 TIP3 6341 -32.585 6.163 -24.901 1.00 0.00 WAT +ATOM 25334 OH2 TIP3 6342 -30.022 5.192 -9.534 1.00 0.00 WAT +ATOM 25335 H1 TIP3 6342 -29.282 5.781 -9.791 1.00 0.00 WAT +ATOM 25336 H2 TIP3 6342 -30.761 5.818 -9.533 1.00 0.00 WAT +ATOM 25337 OH2 TIP3 6343 -41.363 2.429 -6.953 1.00 0.00 WAT +ATOM 25338 H1 TIP3 6343 -40.559 1.891 -7.091 1.00 0.00 WAT +ATOM 25339 H2 TIP3 6343 -41.204 2.757 -6.053 1.00 0.00 WAT +ATOM 25340 OH2 TIP3 6344 -36.745 3.895 -21.972 1.00 0.00 WAT +ATOM 25341 H1 TIP3 6344 -37.325 3.360 -21.408 1.00 0.00 WAT +ATOM 25342 H2 TIP3 6344 -36.406 3.213 -22.591 1.00 0.00 WAT +ATOM 25343 OH2 TIP3 6345 -37.513 1.622 -9.723 1.00 0.00 WAT +ATOM 25344 H1 TIP3 6345 -38.033 2.415 -9.500 1.00 0.00 WAT +ATOM 25345 H2 TIP3 6345 -36.841 1.987 -10.327 1.00 0.00 WAT +ATOM 25346 OH2 TIP3 6346 -35.702 1.916 -23.668 1.00 0.00 WAT +ATOM 25347 H1 TIP3 6346 -35.747 1.915 -24.639 1.00 0.00 WAT +ATOM 25348 H2 TIP3 6346 -34.740 1.824 -23.526 1.00 0.00 WAT +ATOM 25349 OH2 TIP3 6347 -32.144 4.344 -6.148 1.00 0.00 WAT +ATOM 25350 H1 TIP3 6347 -31.245 4.153 -6.444 1.00 0.00 WAT +ATOM 25351 H2 TIP3 6347 -32.422 3.491 -5.786 1.00 0.00 WAT +ATOM 25352 OH2 TIP3 6348 -26.175 4.416 -24.376 1.00 0.00 WAT +ATOM 25353 H1 TIP3 6348 -26.360 3.851 -25.141 1.00 0.00 WAT +ATOM 25354 H2 TIP3 6348 -26.383 5.311 -24.717 1.00 0.00 WAT +ATOM 25355 OH2 TIP3 6349 -36.919 -1.086 -8.560 1.00 0.00 WAT +ATOM 25356 H1 TIP3 6349 -36.832 -1.738 -9.280 1.00 0.00 WAT +ATOM 25357 H2 TIP3 6349 -37.114 -0.273 -9.057 1.00 0.00 WAT +ATOM 25358 OH2 TIP3 6350 -36.566 -2.607 -11.102 1.00 0.00 WAT +ATOM 25359 H1 TIP3 6350 -36.050 -2.092 -11.750 1.00 0.00 WAT +ATOM 25360 H2 TIP3 6350 -37.475 -2.583 -11.470 1.00 0.00 WAT +ATOM 25361 OH2 TIP3 6351 -35.010 2.835 -10.716 1.00 0.00 WAT +ATOM 25362 H1 TIP3 6351 -34.170 2.753 -11.191 1.00 0.00 WAT +ATOM 25363 H2 TIP3 6351 -35.317 3.712 -11.019 1.00 0.00 WAT +ATOM 25364 OH2 TIP3 6352 -30.386 0.789 -5.962 1.00 0.00 WAT +ATOM 25365 H1 TIP3 6352 -30.204 -0.151 -5.807 1.00 0.00 WAT +ATOM 25366 H2 TIP3 6352 -29.485 1.125 -6.103 1.00 0.00 WAT +ATOM 25367 OH2 TIP3 6353 -29.154 3.623 -7.494 1.00 0.00 WAT +ATOM 25368 H1 TIP3 6353 -29.540 4.221 -8.173 1.00 0.00 WAT +ATOM 25369 H2 TIP3 6353 -28.299 3.407 -7.882 1.00 0.00 WAT +ATOM 25370 OH2 TIP3 6354 -38.815 0.827 -6.826 1.00 0.00 WAT +ATOM 25371 H1 TIP3 6354 -39.307 -0.012 -6.788 1.00 0.00 WAT +ATOM 25372 H2 TIP3 6354 -37.969 0.545 -7.205 1.00 0.00 WAT +ATOM 25373 OH2 TIP3 6355 -35.858 -5.285 -10.758 1.00 0.00 WAT +ATOM 25374 H1 TIP3 6355 -36.023 -4.333 -10.926 1.00 0.00 WAT +ATOM 25375 H2 TIP3 6355 -36.560 -5.695 -11.300 1.00 0.00 WAT +ATOM 25376 OH2 TIP3 6356 -34.575 -0.719 -6.973 1.00 0.00 WAT +ATOM 25377 H1 TIP3 6356 -34.920 -0.924 -6.085 1.00 0.00 WAT +ATOM 25378 H2 TIP3 6356 -35.375 -0.914 -7.505 1.00 0.00 WAT +ATOM 25379 OH2 TIP3 6357 -32.029 -1.684 -8.122 1.00 0.00 WAT +ATOM 25380 H1 TIP3 6357 -32.903 -1.628 -7.696 1.00 0.00 WAT +ATOM 25381 H2 TIP3 6357 -31.547 -2.277 -7.514 1.00 0.00 WAT +ATOM 25382 OH2 TIP3 6358 -30.156 -3.126 -6.380 1.00 0.00 WAT +ATOM 25383 H1 TIP3 6358 -30.281 -4.082 -6.221 1.00 0.00 WAT +ATOM 25384 H2 TIP3 6358 -30.309 -2.733 -5.500 1.00 0.00 WAT +ATOM 25385 OH2 TIP3 6359 -40.155 -1.737 -6.943 1.00 0.00 WAT +ATOM 25386 H1 TIP3 6359 -40.151 -2.466 -7.584 1.00 0.00 WAT +ATOM 25387 H2 TIP3 6359 -40.319 -2.202 -6.102 1.00 0.00 WAT +ATOM 25388 OH2 TIP3 6360 -36.035 -5.794 -7.946 1.00 0.00 WAT +ATOM 25389 H1 TIP3 6360 -35.414 -6.538 -7.897 1.00 0.00 WAT +ATOM 25390 H2 TIP3 6360 -36.055 -5.633 -8.910 1.00 0.00 WAT +ATOM 25391 OH2 TIP3 6361 -35.079 -3.953 -6.061 1.00 0.00 WAT +ATOM 25392 H1 TIP3 6361 -35.389 -4.522 -6.794 1.00 0.00 WAT +ATOM 25393 H2 TIP3 6361 -35.744 -3.247 -6.043 1.00 0.00 WAT +ATOM 25394 OH2 TIP3 6362 -36.003 13.147 -22.594 1.00 0.00 WAT +ATOM 25395 H1 TIP3 6362 -35.045 13.219 -22.479 1.00 0.00 WAT +ATOM 25396 H2 TIP3 6362 -36.113 13.547 -23.465 1.00 0.00 WAT +ATOM 25397 OH2 TIP3 6363 -41.971 8.041 -23.575 1.00 0.00 WAT +ATOM 25398 H1 TIP3 6363 -41.246 7.981 -22.924 1.00 0.00 WAT +ATOM 25399 H2 TIP3 6363 -42.204 7.111 -23.714 1.00 0.00 WAT +ATOM 25400 OH2 TIP3 6364 -42.735 10.801 -16.388 1.00 0.00 WAT +ATOM 25401 H1 TIP3 6364 -42.753 9.908 -15.996 1.00 0.00 WAT +ATOM 25402 H2 TIP3 6364 -42.431 11.305 -15.619 1.00 0.00 WAT +ATOM 25403 OH2 TIP3 6365 -24.496 11.973 -13.710 1.00 0.00 WAT +ATOM 25404 H1 TIP3 6365 -24.955 11.941 -12.866 1.00 0.00 WAT +ATOM 25405 H2 TIP3 6365 -24.063 12.834 -13.644 1.00 0.00 WAT +ATOM 25406 OH2 TIP3 6366 -27.315 7.238 -6.029 1.00 0.00 WAT +ATOM 25407 H1 TIP3 6366 -28.048 7.025 -5.430 1.00 0.00 WAT +ATOM 25408 H2 TIP3 6366 -26.580 7.511 -5.468 1.00 0.00 WAT +ATOM 25409 OH2 TIP3 6367 -25.811 5.390 -20.040 1.00 0.00 WAT +ATOM 25410 H1 TIP3 6367 -24.909 5.727 -19.889 1.00 0.00 WAT +ATOM 25411 H2 TIP3 6367 -25.874 4.642 -19.431 1.00 0.00 WAT +ATOM 25412 OH2 TIP3 6368 -25.621 6.151 -13.409 1.00 0.00 WAT +ATOM 25413 H1 TIP3 6368 -24.859 5.661 -13.766 1.00 0.00 WAT +ATOM 25414 H2 TIP3 6368 -25.514 7.030 -13.785 1.00 0.00 WAT +ATOM 25415 OH2 TIP3 6369 -27.496 9.087 -11.475 1.00 0.00 WAT +ATOM 25416 H1 TIP3 6369 -28.124 9.125 -10.745 1.00 0.00 WAT +ATOM 25417 H2 TIP3 6369 -27.941 8.481 -12.093 1.00 0.00 WAT +ATOM 25418 OH2 TIP3 6370 -25.354 3.073 -21.789 1.00 0.00 WAT +ATOM 25419 H1 TIP3 6370 -25.713 3.333 -22.650 1.00 0.00 WAT +ATOM 25420 H2 TIP3 6370 -25.265 3.912 -21.329 1.00 0.00 WAT +ATOM 25421 OH2 TIP3 6371 -26.095 0.388 -23.345 1.00 0.00 WAT +ATOM 25422 H1 TIP3 6371 -26.473 1.139 -23.817 1.00 0.00 WAT +ATOM 25423 H2 TIP3 6371 -26.701 -0.306 -23.634 1.00 0.00 WAT +ATOM 25424 OH2 TIP3 6372 -27.413 2.183 -17.824 1.00 0.00 WAT +ATOM 25425 H1 TIP3 6372 -27.142 1.262 -17.951 1.00 0.00 WAT +ATOM 25426 H2 TIP3 6372 -27.543 2.230 -16.863 1.00 0.00 WAT +ATOM 25427 OH2 TIP3 6373 -42.544 4.383 -13.652 1.00 0.00 WAT +ATOM 25428 H1 TIP3 6373 -42.236 4.564 -14.551 1.00 0.00 WAT +ATOM 25429 H2 TIP3 6373 -41.750 3.949 -13.267 1.00 0.00 WAT +ATOM 25430 OH2 TIP3 6374 -27.475 -0.533 -19.434 1.00 0.00 WAT +ATOM 25431 H1 TIP3 6374 -27.247 -1.487 -19.521 1.00 0.00 WAT +ATOM 25432 H2 TIP3 6374 -26.748 -0.131 -19.924 1.00 0.00 WAT +ATOM 25433 OH2 TIP3 6375 -26.968 -0.184 -14.017 1.00 0.00 WAT +ATOM 25434 H1 TIP3 6375 -26.099 0.236 -14.105 1.00 0.00 WAT +ATOM 25435 H2 TIP3 6375 -27.105 -0.109 -13.060 1.00 0.00 WAT +ATOM 25436 OH2 TIP3 6376 -26.848 0.603 -10.982 1.00 0.00 WAT +ATOM 25437 H1 TIP3 6376 -27.798 0.755 -10.863 1.00 0.00 WAT +ATOM 25438 H2 TIP3 6376 -26.560 1.411 -11.450 1.00 0.00 WAT +ATOM 25439 OH2 TIP3 6377 -42.851 -0.694 -7.595 1.00 0.00 WAT +ATOM 25440 H1 TIP3 6377 -41.954 -1.066 -7.592 1.00 0.00 WAT +ATOM 25441 H2 TIP3 6377 -43.419 -1.456 -7.415 1.00 0.00 WAT +ATOM 25442 OH2 TIP3 6378 -27.008 -3.225 -19.729 1.00 0.00 WAT +ATOM 25443 H1 TIP3 6378 -26.793 -3.655 -18.891 1.00 0.00 WAT +ATOM 25444 H2 TIP3 6378 -27.764 -3.758 -20.033 1.00 0.00 WAT +ATOM 25445 OH2 TIP3 6379 -41.958 -2.151 -14.367 1.00 0.00 WAT +ATOM 25446 H1 TIP3 6379 -41.621 -3.051 -14.480 1.00 0.00 WAT +ATOM 25447 H2 TIP3 6379 -41.143 -1.627 -14.274 1.00 0.00 WAT +ATOM 25448 OH2 TIP3 6380 -43.306 0.477 -13.572 1.00 0.00 WAT +ATOM 25449 H1 TIP3 6380 -42.959 -0.094 -14.274 1.00 0.00 WAT +ATOM 25450 H2 TIP3 6380 -43.068 1.352 -13.893 1.00 0.00 WAT +ATOM 25451 OH2 TIP3 6381 -25.344 -2.880 -22.932 1.00 0.00 WAT +ATOM 25452 H1 TIP3 6381 -24.958 -3.659 -23.352 1.00 0.00 WAT +ATOM 25453 H2 TIP3 6381 -24.565 -2.389 -22.631 1.00 0.00 WAT +ATOM 25454 OH2 TIP3 6382 -43.226 -3.256 -19.845 1.00 0.00 WAT +ATOM 25455 H1 TIP3 6382 -43.956 -3.090 -20.453 1.00 0.00 WAT +ATOM 25456 H2 TIP3 6382 -42.470 -3.046 -20.422 1.00 0.00 WAT +ATOM 25457 OH2 TIP3 6383 -28.286 12.128 -17.569 1.00 0.00 WAT +ATOM 25458 H1 TIP3 6383 -27.811 11.781 -18.342 1.00 0.00 WAT +ATOM 25459 H2 TIP3 6383 -27.564 12.367 -16.978 1.00 0.00 WAT +ATOM 25460 OH2 TIP3 6384 -42.910 -4.428 -11.701 1.00 0.00 WAT +ATOM 25461 H1 TIP3 6384 -43.603 -4.522 -11.005 1.00 0.00 WAT +ATOM 25462 H2 TIP3 6384 -43.355 -3.973 -12.430 1.00 0.00 WAT +ATOM 25463 OH2 TIP3 6385 -41.211 9.128 -7.065 1.00 0.00 WAT +ATOM 25464 H1 TIP3 6385 -41.649 8.433 -7.567 1.00 0.00 WAT +ATOM 25465 H2 TIP3 6385 -41.284 8.764 -6.149 1.00 0.00 WAT +ATOM 25466 OH2 TIP3 6386 -38.021 9.732 -11.133 1.00 0.00 WAT +ATOM 25467 H1 TIP3 6386 -38.328 10.576 -11.505 1.00 0.00 WAT +ATOM 25468 H2 TIP3 6386 -37.060 9.818 -11.302 1.00 0.00 WAT +ATOM 25469 OH2 TIP3 6387 -33.541 11.099 -8.124 1.00 0.00 WAT +ATOM 25470 H1 TIP3 6387 -33.376 10.832 -7.207 1.00 0.00 WAT +ATOM 25471 H2 TIP3 6387 -32.672 11.467 -8.382 1.00 0.00 WAT +ATOM 25472 OH2 TIP3 6388 -31.184 12.483 -8.838 1.00 0.00 WAT +ATOM 25473 H1 TIP3 6388 -30.475 11.844 -9.059 1.00 0.00 WAT +ATOM 25474 H2 TIP3 6388 -30.852 12.821 -7.989 1.00 0.00 WAT +ATOM 25475 OH2 TIP3 6389 -40.678 12.830 -10.895 1.00 0.00 WAT +ATOM 25476 H1 TIP3 6389 -41.401 13.281 -11.373 1.00 0.00 WAT +ATOM 25477 H2 TIP3 6389 -41.018 12.831 -9.994 1.00 0.00 WAT +ATOM 25478 OH2 TIP3 6390 -38.172 12.480 -12.232 1.00 0.00 WAT +ATOM 25479 H1 TIP3 6390 -39.047 12.638 -11.821 1.00 0.00 WAT +ATOM 25480 H2 TIP3 6390 -38.165 13.139 -12.946 1.00 0.00 WAT +ATOM 25481 OH2 TIP3 6391 -33.388 12.446 -12.690 1.00 0.00 WAT +ATOM 25482 H1 TIP3 6391 -33.785 12.890 -13.459 1.00 0.00 WAT +ATOM 25483 H2 TIP3 6391 -33.324 13.178 -12.051 1.00 0.00 WAT +ATOM 25484 OH2 TIP3 6392 -31.002 11.184 -11.794 1.00 0.00 WAT +ATOM 25485 H1 TIP3 6392 -31.873 11.498 -12.094 1.00 0.00 WAT +ATOM 25486 H2 TIP3 6392 -30.517 12.007 -11.680 1.00 0.00 WAT +ATOM 25487 OH2 TIP3 6393 -28.349 12.921 -11.461 1.00 0.00 WAT +ATOM 25488 H1 TIP3 6393 -28.518 13.844 -11.726 1.00 0.00 WAT +ATOM 25489 H2 TIP3 6393 -28.331 12.467 -12.314 1.00 0.00 WAT +ATOM 25490 OH2 TIP3 6394 -41.235 11.560 -13.898 1.00 0.00 WAT +ATOM 25491 H1 TIP3 6394 -41.341 11.087 -13.047 1.00 0.00 WAT +ATOM 25492 H2 TIP3 6394 -40.499 11.060 -14.293 1.00 0.00 WAT +ATOM 25493 OH2 TIP3 6395 -39.093 10.275 -15.411 1.00 0.00 WAT +ATOM 25494 H1 TIP3 6395 -39.270 9.350 -15.136 1.00 0.00 WAT +ATOM 25495 H2 TIP3 6395 -38.193 10.414 -15.063 1.00 0.00 WAT +ATOM 25496 OH2 TIP3 6396 -36.288 10.703 -14.541 1.00 0.00 WAT +ATOM 25497 H1 TIP3 6396 -36.125 9.768 -14.764 1.00 0.00 WAT +ATOM 25498 H2 TIP3 6396 -36.230 10.660 -13.573 1.00 0.00 WAT +ATOM 25499 OH2 TIP3 6397 -32.960 -3.406 -15.208 1.00 0.00 WAT +ATOM 25500 H1 TIP3 6397 -33.649 -4.084 -15.073 1.00 0.00 WAT +ATOM 25501 H2 TIP3 6397 -32.364 -3.851 -15.829 1.00 0.00 WAT +ATOM 25502 OH2 TIP3 6398 -27.998 -5.415 -14.700 1.00 0.00 WAT +ATOM 25503 H1 TIP3 6398 -27.336 -4.951 -15.235 1.00 0.00 WAT +ATOM 25504 H2 TIP3 6398 -28.821 -5.172 -15.161 1.00 0.00 WAT +ATOM 25505 OH2 TIP3 6399 -26.302 -4.397 -16.995 1.00 0.00 WAT +ATOM 25506 H1 TIP3 6399 -25.517 -4.865 -17.333 1.00 0.00 WAT +ATOM 25507 H2 TIP3 6399 -25.942 -3.561 -16.670 1.00 0.00 WAT +ATOM 25508 OH2 TIP3 6400 -41.112 -4.847 -17.622 1.00 0.00 WAT +ATOM 25509 H1 TIP3 6400 -41.678 -4.983 -18.402 1.00 0.00 WAT +ATOM 25510 H2 TIP3 6400 -40.429 -5.513 -17.798 1.00 0.00 WAT +ATOM 25511 OH2 TIP3 6401 -36.132 -4.829 -17.803 1.00 0.00 WAT +ATOM 25512 H1 TIP3 6401 -35.201 -4.579 -17.915 1.00 0.00 WAT +ATOM 25513 H2 TIP3 6401 -36.181 -4.976 -16.853 1.00 0.00 WAT +ATOM 25514 OH2 TIP3 6402 -30.522 -4.837 -16.368 1.00 0.00 WAT +ATOM 25515 H1 TIP3 6402 -30.299 -4.946 -17.302 1.00 0.00 WAT +ATOM 25516 H2 TIP3 6402 -30.945 -5.692 -16.163 1.00 0.00 WAT +ATOM 25517 OH2 TIP3 6403 -29.413 -4.811 -20.388 1.00 0.00 WAT +ATOM 25518 H1 TIP3 6403 -30.227 -4.302 -20.561 1.00 0.00 WAT +ATOM 25519 H2 TIP3 6403 -29.771 -5.706 -20.268 1.00 0.00 WAT +ATOM 25520 OH2 TIP3 6404 -41.860 10.789 -20.865 1.00 0.00 WAT +ATOM 25521 H1 TIP3 6404 -42.520 10.612 -21.542 1.00 0.00 WAT +ATOM 25522 H2 TIP3 6404 -41.829 11.754 -20.853 1.00 0.00 WAT +ATOM 25523 OH2 TIP3 6405 -40.017 -3.209 -23.470 1.00 0.00 WAT +ATOM 25524 H1 TIP3 6405 -39.653 -4.064 -23.755 1.00 0.00 WAT +ATOM 25525 H2 TIP3 6405 -39.647 -3.165 -22.572 1.00 0.00 WAT +ATOM 25526 OH2 TIP3 6406 -34.957 -3.185 -20.746 1.00 0.00 WAT +ATOM 25527 H1 TIP3 6406 -34.663 -3.782 -20.042 1.00 0.00 WAT +ATOM 25528 H2 TIP3 6406 -34.764 -2.325 -20.341 1.00 0.00 WAT +ATOM 25529 OH2 TIP3 6407 -32.942 12.603 -22.546 1.00 0.00 WAT +ATOM 25530 H1 TIP3 6407 -31.967 12.576 -22.558 1.00 0.00 WAT +ATOM 25531 H2 TIP3 6407 -33.142 11.910 -23.197 1.00 0.00 WAT +ATOM 25532 OH2 TIP3 6408 -26.396 11.611 -19.915 1.00 0.00 WAT +ATOM 25533 H1 TIP3 6408 -26.638 10.754 -20.326 1.00 0.00 WAT +ATOM 25534 H2 TIP3 6408 -26.483 12.211 -20.671 1.00 0.00 WAT +ATOM 25535 OH2 TIP3 6409 -40.793 -4.441 -8.173 1.00 0.00 WAT +ATOM 25536 H1 TIP3 6409 -41.244 -5.197 -7.763 1.00 0.00 WAT +ATOM 25537 H2 TIP3 6409 -39.878 -4.587 -7.876 1.00 0.00 WAT +ATOM 25538 OH2 TIP3 6410 -38.456 -5.067 -6.429 1.00 0.00 WAT +ATOM 25539 H1 TIP3 6410 -37.617 -5.393 -6.813 1.00 0.00 WAT +ATOM 25540 H2 TIP3 6410 -38.765 -5.863 -5.967 1.00 0.00 WAT +ATOM 25541 OH2 TIP3 6411 -40.111 11.790 -23.865 1.00 0.00 WAT +ATOM 25542 H1 TIP3 6411 -40.427 11.944 -22.962 1.00 0.00 WAT +ATOM 25543 H2 TIP3 6411 -39.428 11.113 -23.720 1.00 0.00 WAT +ATOM 25544 OH2 TIP3 6412 -30.185 -5.944 -6.262 1.00 0.00 WAT +ATOM 25545 H1 TIP3 6412 -30.156 -6.339 -5.367 1.00 0.00 WAT +ATOM 25546 H2 TIP3 6412 -29.248 -5.968 -6.516 1.00 0.00 WAT +ATOM 25547 OH2 TIP3 6413 -13.334 11.607 -15.616 1.00 0.00 WAT +ATOM 25548 H1 TIP3 6413 -12.631 10.975 -15.857 1.00 0.00 WAT +ATOM 25549 H2 TIP3 6413 -13.564 11.376 -14.702 1.00 0.00 WAT +ATOM 25550 OH2 TIP3 6414 -11.141 -1.431 -17.917 1.00 0.00 WAT +ATOM 25551 H1 TIP3 6414 -10.703 -1.716 -17.101 1.00 0.00 WAT +ATOM 25552 H2 TIP3 6414 -10.559 -0.731 -18.238 1.00 0.00 WAT +ATOM 25553 OH2 TIP3 6415 -23.185 6.532 -20.301 1.00 0.00 WAT +ATOM 25554 H1 TIP3 6415 -23.381 7.006 -21.127 1.00 0.00 WAT +ATOM 25555 H2 TIP3 6415 -22.990 7.251 -19.674 1.00 0.00 WAT +ATOM 25556 OH2 TIP3 6416 -11.336 9.974 -16.752 1.00 0.00 WAT +ATOM 25557 H1 TIP3 6416 -10.894 9.154 -17.059 1.00 0.00 WAT +ATOM 25558 H2 TIP3 6416 -10.681 10.638 -17.031 1.00 0.00 WAT +ATOM 25559 OH2 TIP3 6417 -10.111 7.755 -18.278 1.00 0.00 WAT +ATOM 25560 H1 TIP3 6417 -10.506 7.071 -18.832 1.00 0.00 WAT +ATOM 25561 H2 TIP3 6417 -9.755 7.241 -17.533 1.00 0.00 WAT +ATOM 25562 OH2 TIP3 6418 -13.794 1.856 -23.114 1.00 0.00 WAT +ATOM 25563 H1 TIP3 6418 -13.208 2.157 -22.394 1.00 0.00 WAT +ATOM 25564 H2 TIP3 6418 -13.208 1.260 -23.606 1.00 0.00 WAT +ATOM 25565 OH2 TIP3 6419 -11.701 3.053 -21.428 1.00 0.00 WAT +ATOM 25566 H1 TIP3 6419 -11.089 3.020 -20.689 1.00 0.00 WAT +ATOM 25567 H2 TIP3 6419 -11.199 3.558 -22.107 1.00 0.00 WAT +ATOM 25568 OH2 TIP3 6420 -13.912 9.868 -18.263 1.00 0.00 WAT +ATOM 25569 H1 TIP3 6420 -13.612 9.845 -17.349 1.00 0.00 WAT +ATOM 25570 H2 TIP3 6420 -14.710 10.408 -18.236 1.00 0.00 WAT +ATOM 25571 OH2 TIP3 6421 -8.195 -5.265 -22.088 1.00 0.00 WAT +ATOM 25572 H1 TIP3 6421 -9.050 -5.135 -21.629 1.00 0.00 WAT +ATOM 25573 H2 TIP3 6421 -7.819 -4.373 -22.047 1.00 0.00 WAT +ATOM 25574 OH2 TIP3 6422 -6.810 8.904 -23.572 1.00 0.00 WAT +ATOM 25575 H1 TIP3 6422 -6.616 9.833 -23.335 1.00 0.00 WAT +ATOM 25576 H2 TIP3 6422 -5.943 8.480 -23.417 1.00 0.00 WAT +ATOM 25577 OH2 TIP3 6423 -23.725 8.869 -14.114 1.00 0.00 WAT +ATOM 25578 H1 TIP3 6423 -23.154 8.192 -13.736 1.00 0.00 WAT +ATOM 25579 H2 TIP3 6423 -24.113 9.283 -13.333 1.00 0.00 WAT +ATOM 25580 OH2 TIP3 6424 -14.868 12.401 -19.626 1.00 0.00 WAT +ATOM 25581 H1 TIP3 6424 -14.575 12.484 -20.533 1.00 0.00 WAT +ATOM 25582 H2 TIP3 6424 -14.609 13.241 -19.217 1.00 0.00 WAT +ATOM 25583 OH2 TIP3 6425 -20.781 11.395 -17.735 1.00 0.00 WAT +ATOM 25584 H1 TIP3 6425 -20.744 10.907 -16.903 1.00 0.00 WAT +ATOM 25585 H2 TIP3 6425 -21.612 11.062 -18.103 1.00 0.00 WAT +ATOM 25586 OH2 TIP3 6426 -11.428 11.690 -22.445 1.00 0.00 WAT +ATOM 25587 H1 TIP3 6426 -10.773 11.077 -22.843 1.00 0.00 WAT +ATOM 25588 H2 TIP3 6426 -11.366 11.425 -21.503 1.00 0.00 WAT +ATOM 25589 OH2 TIP3 6427 -11.906 11.267 -19.632 1.00 0.00 WAT +ATOM 25590 H1 TIP3 6427 -12.836 11.208 -19.341 1.00 0.00 WAT +ATOM 25591 H2 TIP3 6427 -11.588 10.491 -19.141 1.00 0.00 WAT +ATOM 25592 OH2 TIP3 6428 -10.174 4.010 -23.505 1.00 0.00 WAT +ATOM 25593 H1 TIP3 6428 -10.333 3.811 -24.448 1.00 0.00 WAT +ATOM 25594 H2 TIP3 6428 -9.208 4.165 -23.520 1.00 0.00 WAT +ATOM 25595 OH2 TIP3 6429 -14.407 -2.138 -23.094 1.00 0.00 WAT +ATOM 25596 H1 TIP3 6429 -14.929 -2.272 -22.285 1.00 0.00 WAT +ATOM 25597 H2 TIP3 6429 -14.797 -2.813 -23.674 1.00 0.00 WAT +ATOM 25598 OH2 TIP3 6430 -18.016 -1.805 -24.172 1.00 0.00 WAT +ATOM 25599 H1 TIP3 6430 -18.396 -2.137 -23.334 1.00 0.00 WAT +ATOM 25600 H2 TIP3 6430 -18.807 -1.561 -24.669 1.00 0.00 WAT +ATOM 25601 OH2 TIP3 6431 -23.317 -1.401 -21.339 1.00 0.00 WAT +ATOM 25602 H1 TIP3 6431 -22.685 -0.950 -21.921 1.00 0.00 WAT +ATOM 25603 H2 TIP3 6431 -24.057 -0.792 -21.315 1.00 0.00 WAT +ATOM 25604 OH2 TIP3 6432 -19.322 0.860 -22.315 1.00 0.00 WAT +ATOM 25605 H1 TIP3 6432 -19.904 0.678 -23.064 1.00 0.00 WAT +ATOM 25606 H2 TIP3 6432 -18.496 1.107 -22.760 1.00 0.00 WAT +ATOM 25607 OH2 TIP3 6433 -11.750 -1.508 -22.744 1.00 0.00 WAT +ATOM 25608 H1 TIP3 6433 -12.725 -1.590 -22.836 1.00 0.00 WAT +ATOM 25609 H2 TIP3 6433 -11.643 -0.739 -22.169 1.00 0.00 WAT +ATOM 25610 OH2 TIP3 6434 -10.864 0.406 -20.432 1.00 0.00 WAT +ATOM 25611 H1 TIP3 6434 -9.942 0.134 -20.513 1.00 0.00 WAT +ATOM 25612 H2 TIP3 6434 -10.983 1.059 -21.129 1.00 0.00 WAT +ATOM 25613 OH2 TIP3 6435 -13.701 6.856 -21.828 1.00 0.00 WAT +ATOM 25614 H1 TIP3 6435 -13.894 7.611 -21.242 1.00 0.00 WAT +ATOM 25615 H2 TIP3 6435 -14.147 6.129 -21.377 1.00 0.00 WAT +ATOM 25616 OH2 TIP3 6436 -8.389 8.864 -21.062 1.00 0.00 WAT +ATOM 25617 H1 TIP3 6436 -8.642 8.103 -20.517 1.00 0.00 WAT +ATOM 25618 H2 TIP3 6436 -7.751 8.493 -21.685 1.00 0.00 WAT +ATOM 25619 OH2 TIP3 6437 -22.443 3.269 -23.155 1.00 0.00 WAT +ATOM 25620 H1 TIP3 6437 -21.809 3.621 -22.517 1.00 0.00 WAT +ATOM 25621 H2 TIP3 6437 -23.271 3.291 -22.647 1.00 0.00 WAT +ATOM 25622 OH2 TIP3 6438 -17.907 10.981 -18.493 1.00 0.00 WAT +ATOM 25623 H1 TIP3 6438 -18.843 11.064 -18.255 1.00 0.00 WAT +ATOM 25624 H2 TIP3 6438 -17.543 11.823 -18.176 1.00 0.00 WAT +ATOM 25625 OH2 TIP3 6439 -10.837 7.250 -23.006 1.00 0.00 WAT +ATOM 25626 H1 TIP3 6439 -10.381 6.754 -22.307 1.00 0.00 WAT +ATOM 25627 H2 TIP3 6439 -11.758 7.002 -22.815 1.00 0.00 WAT +ATOM 25628 OH2 TIP3 6440 -6.057 11.524 -22.630 1.00 0.00 WAT +ATOM 25629 H1 TIP3 6440 -5.325 12.132 -22.829 1.00 0.00 WAT +ATOM 25630 H2 TIP3 6440 -6.802 12.145 -22.687 1.00 0.00 WAT +ATOM 25631 OH2 TIP3 6441 -9.496 5.717 -20.597 1.00 0.00 WAT +ATOM 25632 H1 TIP3 6441 -9.958 5.044 -20.088 1.00 0.00 WAT +ATOM 25633 H2 TIP3 6441 -8.619 5.696 -20.198 1.00 0.00 WAT +ATOM 25634 OH2 TIP3 6442 -16.620 8.351 -24.649 1.00 0.00 WAT +ATOM 25635 H1 TIP3 6442 -16.338 7.562 -25.152 1.00 0.00 WAT +ATOM 25636 H2 TIP3 6442 -16.908 7.923 -23.820 1.00 0.00 WAT +ATOM 25637 OH2 TIP3 6443 -17.507 7.774 -21.937 1.00 0.00 WAT +ATOM 25638 H1 TIP3 6443 -17.029 7.306 -21.250 1.00 0.00 WAT +ATOM 25639 H2 TIP3 6443 -17.402 8.708 -21.672 1.00 0.00 WAT +ATOM 25640 OH2 TIP3 6444 -20.525 5.392 -21.057 1.00 0.00 WAT +ATOM 25641 H1 TIP3 6444 -21.454 5.450 -20.781 1.00 0.00 WAT +ATOM 25642 H2 TIP3 6444 -20.516 5.872 -21.894 1.00 0.00 WAT +ATOM 25643 OH2 TIP3 6445 -12.656 -2.832 -19.980 1.00 0.00 WAT +ATOM 25644 H1 TIP3 6445 -12.450 -2.259 -20.726 1.00 0.00 WAT +ATOM 25645 H2 TIP3 6445 -12.278 -2.330 -19.228 1.00 0.00 WAT +ATOM 25646 OH2 TIP3 6446 -14.902 9.454 -21.370 1.00 0.00 WAT +ATOM 25647 H1 TIP3 6446 -15.657 10.032 -21.177 1.00 0.00 WAT +ATOM 25648 H2 TIP3 6446 -14.325 9.993 -21.909 1.00 0.00 WAT +ATOM 25649 OH2 TIP3 6447 -17.592 10.538 -21.303 1.00 0.00 WAT +ATOM 25650 H1 TIP3 6447 -17.721 11.369 -21.795 1.00 0.00 WAT +ATOM 25651 H2 TIP3 6447 -17.738 10.819 -20.375 1.00 0.00 WAT +ATOM 25652 OH2 TIP3 6448 -18.922 -2.590 -21.636 1.00 0.00 WAT +ATOM 25653 H1 TIP3 6448 -18.885 -1.741 -21.179 1.00 0.00 WAT +ATOM 25654 H2 TIP3 6448 -18.166 -3.060 -21.240 1.00 0.00 WAT +ATOM 25655 OH2 TIP3 6449 -20.393 8.040 -22.712 1.00 0.00 WAT +ATOM 25656 H1 TIP3 6449 -19.688 8.602 -22.362 1.00 0.00 WAT +ATOM 25657 H2 TIP3 6449 -19.876 7.477 -23.314 1.00 0.00 WAT +ATOM 25658 OH2 TIP3 6450 -22.331 0.291 -23.613 1.00 0.00 WAT +ATOM 25659 H1 TIP3 6450 -22.267 1.208 -23.306 1.00 0.00 WAT +ATOM 25660 H2 TIP3 6450 -23.244 0.239 -23.927 1.00 0.00 WAT +ATOM 25661 OH2 TIP3 6451 -22.466 8.858 -18.546 1.00 0.00 WAT +ATOM 25662 H1 TIP3 6451 -23.314 9.294 -18.406 1.00 0.00 WAT +ATOM 25663 H2 TIP3 6451 -22.116 9.352 -19.304 1.00 0.00 WAT +ATOM 25664 OH2 TIP3 6452 -14.431 10.355 -24.527 1.00 0.00 WAT +ATOM 25665 H1 TIP3 6452 -15.134 9.671 -24.432 1.00 0.00 WAT +ATOM 25666 H2 TIP3 6452 -13.693 9.773 -24.802 1.00 0.00 WAT +ATOM 25667 OH2 TIP3 6453 -9.747 9.932 -24.013 1.00 0.00 WAT +ATOM 25668 H1 TIP3 6453 -9.597 9.141 -23.467 1.00 0.00 WAT +ATOM 25669 H2 TIP3 6453 -8.941 9.942 -24.562 1.00 0.00 WAT +ATOM 25670 OH2 TIP3 6454 -18.960 5.756 -24.173 1.00 0.00 WAT +ATOM 25671 H1 TIP3 6454 -18.754 5.090 -23.489 1.00 0.00 WAT +ATOM 25672 H2 TIP3 6454 -18.133 5.731 -24.688 1.00 0.00 WAT +ATOM 25673 OH2 TIP3 6455 -13.739 7.152 -24.575 1.00 0.00 WAT +ATOM 25674 H1 TIP3 6455 -13.799 7.056 -23.601 1.00 0.00 WAT +ATOM 25675 H2 TIP3 6455 -13.767 6.205 -24.830 1.00 0.00 WAT +ATOM 25676 OH2 TIP3 6456 -17.883 4.000 -21.876 1.00 0.00 WAT +ATOM 25677 H1 TIP3 6456 -18.298 3.440 -21.206 1.00 0.00 WAT +ATOM 25678 H2 TIP3 6456 -17.443 3.322 -22.426 1.00 0.00 WAT +ATOM 25679 OH2 TIP3 6457 -16.858 1.973 -23.643 1.00 0.00 WAT +ATOM 25680 H1 TIP3 6457 -16.927 1.964 -24.613 1.00 0.00 WAT +ATOM 25681 H2 TIP3 6457 -15.895 1.894 -23.510 1.00 0.00 WAT +ATOM 25682 OH2 TIP3 6458 -7.468 4.280 -24.102 1.00 0.00 WAT +ATOM 25683 H1 TIP3 6458 -7.267 3.756 -24.888 1.00 0.00 WAT +ATOM 25684 H2 TIP3 6458 -7.281 5.185 -24.389 1.00 0.00 WAT +ATOM 25685 OH2 TIP3 6459 -15.690 3.347 -10.991 1.00 0.00 WAT +ATOM 25686 H1 TIP3 6459 -14.863 3.050 -11.370 1.00 0.00 WAT +ATOM 25687 H2 TIP3 6459 -16.347 3.037 -11.617 1.00 0.00 WAT +ATOM 25688 OH2 TIP3 6460 -16.743 -5.161 -8.402 1.00 0.00 WAT +ATOM 25689 H1 TIP3 6460 -16.927 -4.514 -9.101 1.00 0.00 WAT +ATOM 25690 H2 TIP3 6460 -16.247 -5.823 -8.899 1.00 0.00 WAT +ATOM 25691 OH2 TIP3 6461 -16.476 -4.264 -5.808 1.00 0.00 WAT +ATOM 25692 H1 TIP3 6461 -16.412 -4.595 -6.723 1.00 0.00 WAT +ATOM 25693 H2 TIP3 6461 -16.601 -3.319 -5.900 1.00 0.00 WAT +ATOM 25694 OH2 TIP3 6462 -17.137 13.248 -22.798 1.00 0.00 WAT +ATOM 25695 H1 TIP3 6462 -16.187 13.320 -22.661 1.00 0.00 WAT +ATOM 25696 H2 TIP3 6462 -17.318 13.824 -23.548 1.00 0.00 WAT +ATOM 25697 OH2 TIP3 6463 -23.211 7.518 -23.102 1.00 0.00 WAT +ATOM 25698 H1 TIP3 6463 -22.256 7.655 -22.936 1.00 0.00 WAT +ATOM 25699 H2 TIP3 6463 -23.215 6.726 -23.680 1.00 0.00 WAT +ATOM 25700 OH2 TIP3 6464 -24.125 12.717 -18.293 1.00 0.00 WAT +ATOM 25701 H1 TIP3 6464 -24.851 12.334 -18.823 1.00 0.00 WAT +ATOM 25702 H2 TIP3 6464 -24.006 12.047 -17.592 1.00 0.00 WAT +ATOM 25703 OH2 TIP3 6465 -23.622 10.865 -16.191 1.00 0.00 WAT +ATOM 25704 H1 TIP3 6465 -23.888 9.954 -15.979 1.00 0.00 WAT +ATOM 25705 H2 TIP3 6465 -23.841 11.276 -15.331 1.00 0.00 WAT +ATOM 25706 OH2 TIP3 6466 -6.359 11.912 -13.512 1.00 0.00 WAT +ATOM 25707 H1 TIP3 6466 -6.518 11.890 -12.562 1.00 0.00 WAT +ATOM 25708 H2 TIP3 6466 -5.709 12.607 -13.600 1.00 0.00 WAT +ATOM 25709 OH2 TIP3 6467 -7.936 0.753 -23.435 1.00 0.00 WAT +ATOM 25710 H1 TIP3 6467 -7.610 1.289 -24.162 1.00 0.00 WAT +ATOM 25711 H2 TIP3 6467 -8.044 -0.128 -23.835 1.00 0.00 WAT +ATOM 25712 OH2 TIP3 6468 -23.375 4.248 -14.098 1.00 0.00 WAT +ATOM 25713 H1 TIP3 6468 -23.239 3.712 -14.886 1.00 0.00 WAT +ATOM 25714 H2 TIP3 6468 -22.745 3.828 -13.487 1.00 0.00 WAT +ATOM 25715 OH2 TIP3 6469 -8.539 -1.892 -24.449 1.00 0.00 WAT +ATOM 25716 H1 TIP3 6469 -7.901 -2.342 -23.855 1.00 0.00 WAT +ATOM 25717 H2 TIP3 6469 -9.328 -2.449 -24.396 1.00 0.00 WAT +ATOM 25718 OH2 TIP3 6470 -8.180 -3.128 -19.278 1.00 0.00 WAT +ATOM 25719 H1 TIP3 6470 -8.170 -3.446 -18.371 1.00 0.00 WAT +ATOM 25720 H2 TIP3 6470 -9.004 -3.509 -19.619 1.00 0.00 WAT +ATOM 25721 OH2 TIP3 6471 -6.352 -2.906 -23.013 1.00 0.00 WAT +ATOM 25722 H1 TIP3 6471 -5.944 -3.761 -23.215 1.00 0.00 WAT +ATOM 25723 H2 TIP3 6471 -5.617 -2.444 -22.569 1.00 0.00 WAT +ATOM 25724 OH2 TIP3 6472 -9.451 12.145 -17.574 1.00 0.00 WAT +ATOM 25725 H1 TIP3 6472 -8.954 11.798 -18.335 1.00 0.00 WAT +ATOM 25726 H2 TIP3 6472 -8.735 12.345 -16.960 1.00 0.00 WAT +ATOM 25727 OH2 TIP3 6473 -14.495 12.457 -12.734 1.00 0.00 WAT +ATOM 25728 H1 TIP3 6473 -14.987 13.009 -13.350 1.00 0.00 WAT +ATOM 25729 H2 TIP3 6473 -14.434 12.990 -11.926 1.00 0.00 WAT +ATOM 25730 OH2 TIP3 6474 -23.088 -5.065 -21.756 1.00 0.00 WAT +ATOM 25731 H1 TIP3 6474 -22.498 -4.446 -22.221 1.00 0.00 WAT +ATOM 25732 H2 TIP3 6474 -23.488 -4.483 -21.096 1.00 0.00 WAT +ATOM 25733 OH2 TIP3 6475 -10.530 -4.774 -20.486 1.00 0.00 WAT +ATOM 25734 H1 TIP3 6475 -11.351 -4.248 -20.451 1.00 0.00 WAT +ATOM 25735 H2 TIP3 6475 -10.853 -5.642 -20.196 1.00 0.00 WAT +ATOM 25736 OH2 TIP3 6476 -22.729 10.749 -20.649 1.00 0.00 WAT +ATOM 25737 H1 TIP3 6476 -23.392 10.618 -21.346 1.00 0.00 WAT +ATOM 25738 H2 TIP3 6476 -22.795 11.706 -20.525 1.00 0.00 WAT +ATOM 25739 OH2 TIP3 6477 -21.156 -3.315 -23.246 1.00 0.00 WAT +ATOM 25740 H1 TIP3 6477 -20.561 -3.893 -23.747 1.00 0.00 WAT +ATOM 25741 H2 TIP3 6477 -20.577 -3.034 -22.508 1.00 0.00 WAT +ATOM 25742 OH2 TIP3 6478 -16.039 -2.905 -20.664 1.00 0.00 WAT +ATOM 25743 H1 TIP3 6478 -15.952 -3.627 -20.029 1.00 0.00 WAT +ATOM 25744 H2 TIP3 6478 -16.058 -2.141 -20.080 1.00 0.00 WAT +ATOM 25745 OH2 TIP3 6479 -14.047 12.631 -23.036 1.00 0.00 WAT +ATOM 25746 H1 TIP3 6479 -13.144 12.564 -22.658 1.00 0.00 WAT +ATOM 25747 H2 TIP3 6479 -14.249 11.688 -23.189 1.00 0.00 WAT +ATOM 25748 OH2 TIP3 6480 -7.574 11.629 -19.910 1.00 0.00 WAT +ATOM 25749 H1 TIP3 6480 -7.776 10.771 -20.333 1.00 0.00 WAT +ATOM 25750 H2 TIP3 6480 -7.563 12.219 -20.679 1.00 0.00 WAT +ATOM 25751 OH2 TIP3 6481 -21.271 11.782 -23.831 1.00 0.00 WAT +ATOM 25752 H1 TIP3 6481 -21.613 11.972 -22.945 1.00 0.00 WAT +ATOM 25753 H2 TIP3 6481 -20.598 11.108 -23.657 1.00 0.00 WAT +ATOM 25754 OH2 TIP3 6482 -4.578 6.712 -20.239 1.00 0.00 WAT +ATOM 25755 H1 TIP3 6482 -4.767 6.930 -21.164 1.00 0.00 WAT +ATOM 25756 H2 TIP3 6482 -4.472 7.572 -19.832 1.00 0.00 WAT +ATOM 25757 OH2 TIP3 6483 7.481 10.080 -16.999 1.00 0.00 WAT +ATOM 25758 H1 TIP3 6483 7.961 9.290 -17.294 1.00 0.00 WAT +ATOM 25759 H2 TIP3 6483 7.987 10.807 -17.371 1.00 0.00 WAT +ATOM 25760 OH2 TIP3 6484 8.812 7.767 -18.416 1.00 0.00 WAT +ATOM 25761 H1 TIP3 6484 8.235 7.161 -18.895 1.00 0.00 WAT +ATOM 25762 H2 TIP3 6484 8.859 7.378 -17.534 1.00 0.00 WAT +ATOM 25763 OH2 TIP3 6485 4.469 3.245 -20.263 1.00 0.00 WAT +ATOM 25764 H1 TIP3 6485 4.104 4.115 -20.052 1.00 0.00 WAT +ATOM 25765 H2 TIP3 6485 5.413 3.390 -20.209 1.00 0.00 WAT +ATOM 25766 OH2 TIP3 6486 7.689 4.206 -19.243 1.00 0.00 WAT +ATOM 25767 H1 TIP3 6486 6.999 4.115 -18.563 1.00 0.00 WAT +ATOM 25768 H2 TIP3 6486 8.222 3.429 -19.071 1.00 0.00 WAT +ATOM 25769 OH2 TIP3 6487 7.032 2.666 -22.070 1.00 0.00 WAT +ATOM 25770 H1 TIP3 6487 7.161 2.961 -21.167 1.00 0.00 WAT +ATOM 25771 H2 TIP3 6487 7.499 3.356 -22.585 1.00 0.00 WAT +ATOM 25772 OH2 TIP3 6488 4.856 9.756 -18.245 1.00 0.00 WAT +ATOM 25773 H1 TIP3 6488 5.199 9.684 -17.345 1.00 0.00 WAT +ATOM 25774 H2 TIP3 6488 4.192 10.446 -18.200 1.00 0.00 WAT +ATOM 25775 OH2 TIP3 6489 12.036 8.903 -23.583 1.00 0.00 WAT +ATOM 25776 H1 TIP3 6489 12.250 9.827 -23.342 1.00 0.00 WAT +ATOM 25777 H2 TIP3 6489 12.885 8.460 -23.382 1.00 0.00 WAT +ATOM 25778 OH2 TIP3 6490 4.023 12.394 -19.576 1.00 0.00 WAT +ATOM 25779 H1 TIP3 6490 4.220 12.387 -20.525 1.00 0.00 WAT +ATOM 25780 H2 TIP3 6490 4.272 13.285 -19.298 1.00 0.00 WAT +ATOM 25781 OH2 TIP3 6491 7.458 11.940 -22.850 1.00 0.00 WAT +ATOM 25782 H1 TIP3 6491 8.020 11.223 -23.202 1.00 0.00 WAT +ATOM 25783 H2 TIP3 6491 7.503 11.752 -21.895 1.00 0.00 WAT +ATOM 25784 OH2 TIP3 6492 6.886 11.312 -19.789 1.00 0.00 WAT +ATOM 25785 H1 TIP3 6492 5.942 11.303 -19.558 1.00 0.00 WAT +ATOM 25786 H2 TIP3 6492 7.149 10.536 -19.269 1.00 0.00 WAT +ATOM 25787 OH2 TIP3 6493 8.767 4.248 -23.592 1.00 0.00 WAT +ATOM 25788 H1 TIP3 6493 8.613 3.939 -24.504 1.00 0.00 WAT +ATOM 25789 H2 TIP3 6493 9.742 4.276 -23.559 1.00 0.00 WAT +ATOM 25790 OH2 TIP3 6494 -4.401 -1.188 -21.488 1.00 0.00 WAT +ATOM 25791 H1 TIP3 6494 -3.778 -0.696 -22.058 1.00 0.00 WAT +ATOM 25792 H2 TIP3 6494 -4.970 -0.482 -21.164 1.00 0.00 WAT +ATOM 25793 OH2 TIP3 6495 2.727 5.447 -20.575 1.00 0.00 WAT +ATOM 25794 H1 TIP3 6495 2.025 4.787 -20.621 1.00 0.00 WAT +ATOM 25795 H2 TIP3 6495 2.840 5.578 -19.608 1.00 0.00 WAT +ATOM 25796 OH2 TIP3 6496 7.135 -1.618 -22.866 1.00 0.00 WAT +ATOM 25797 H1 TIP3 6496 6.208 -1.731 -22.622 1.00 0.00 WAT +ATOM 25798 H2 TIP3 6496 7.398 -0.912 -22.256 1.00 0.00 WAT +ATOM 25799 OH2 TIP3 6497 8.220 0.317 -20.545 1.00 0.00 WAT +ATOM 25800 H1 TIP3 6497 9.112 0.158 -20.854 1.00 0.00 WAT +ATOM 25801 H2 TIP3 6497 7.838 0.933 -21.187 1.00 0.00 WAT +ATOM 25802 OH2 TIP3 6498 5.338 6.976 -21.813 1.00 0.00 WAT +ATOM 25803 H1 TIP3 6498 5.142 7.743 -21.239 1.00 0.00 WAT +ATOM 25804 H2 TIP3 6498 4.772 6.311 -21.388 1.00 0.00 WAT +ATOM 25805 OH2 TIP3 6499 10.607 8.906 -20.954 1.00 0.00 WAT +ATOM 25806 H1 TIP3 6499 10.140 8.123 -20.608 1.00 0.00 WAT +ATOM 25807 H2 TIP3 6499 11.057 8.548 -21.729 1.00 0.00 WAT +ATOM 25808 OH2 TIP3 6500 -3.755 3.277 -23.115 1.00 0.00 WAT +ATOM 25809 H1 TIP3 6500 -3.095 3.646 -22.505 1.00 0.00 WAT +ATOM 25810 H2 TIP3 6500 -4.549 3.317 -22.553 1.00 0.00 WAT +ATOM 25811 OH2 TIP3 6501 0.350 11.007 -18.240 1.00 0.00 WAT +ATOM 25812 H1 TIP3 6501 -0.310 11.576 -18.626 1.00 0.00 WAT +ATOM 25813 H2 TIP3 6501 1.046 11.646 -18.000 1.00 0.00 WAT +ATOM 25814 OH2 TIP3 6502 8.014 7.371 -23.116 1.00 0.00 WAT +ATOM 25815 H1 TIP3 6502 8.482 6.812 -22.476 1.00 0.00 WAT +ATOM 25816 H2 TIP3 6502 7.092 7.171 -22.864 1.00 0.00 WAT +ATOM 25817 OH2 TIP3 6503 12.911 11.470 -22.684 1.00 0.00 WAT +ATOM 25818 H1 TIP3 6503 13.592 12.135 -22.886 1.00 0.00 WAT +ATOM 25819 H2 TIP3 6503 12.134 12.055 -22.647 1.00 0.00 WAT +ATOM 25820 OH2 TIP3 6504 9.663 6.004 -20.800 1.00 0.00 WAT +ATOM 25821 H1 TIP3 6504 8.976 5.420 -20.439 1.00 0.00 WAT +ATOM 25822 H2 TIP3 6504 10.447 5.713 -20.320 1.00 0.00 WAT +ATOM 25823 OH2 TIP3 6505 2.251 8.313 -24.651 1.00 0.00 WAT +ATOM 25824 H1 TIP3 6505 2.533 7.504 -25.123 1.00 0.00 WAT +ATOM 25825 H2 TIP3 6505 1.889 7.927 -23.833 1.00 0.00 WAT +ATOM 25826 OH2 TIP3 6506 1.191 7.836 -21.884 1.00 0.00 WAT +ATOM 25827 H1 TIP3 6506 1.676 7.259 -21.267 1.00 0.00 WAT +ATOM 25828 H2 TIP3 6506 1.337 8.722 -21.500 1.00 0.00 WAT +ATOM 25829 OH2 TIP3 6507 -1.955 5.206 -21.256 1.00 0.00 WAT +ATOM 25830 H1 TIP3 6507 -2.809 5.419 -20.864 1.00 0.00 WAT +ATOM 25831 H2 TIP3 6507 -1.720 5.987 -21.766 1.00 0.00 WAT +ATOM 25832 OH2 TIP3 6508 4.064 9.580 -21.323 1.00 0.00 WAT +ATOM 25833 H1 TIP3 6508 3.219 10.019 -21.165 1.00 0.00 WAT +ATOM 25834 H2 TIP3 6508 4.407 10.010 -22.110 1.00 0.00 WAT +ATOM 25835 OH2 TIP3 6509 1.155 10.569 -21.226 1.00 0.00 WAT +ATOM 25836 H1 TIP3 6509 1.164 11.389 -21.762 1.00 0.00 WAT +ATOM 25837 H2 TIP3 6509 1.176 10.905 -20.320 1.00 0.00 WAT +ATOM 25838 OH2 TIP3 6510 -1.595 8.043 -22.715 1.00 0.00 WAT +ATOM 25839 H1 TIP3 6510 -0.859 8.542 -22.321 1.00 0.00 WAT +ATOM 25840 H2 TIP3 6510 -1.083 7.492 -23.330 1.00 0.00 WAT +ATOM 25841 OH2 TIP3 6511 -3.430 0.373 -23.641 1.00 0.00 WAT +ATOM 25842 H1 TIP3 6511 -3.366 1.308 -23.393 1.00 0.00 WAT +ATOM 25843 H2 TIP3 6511 -4.331 0.293 -23.971 1.00 0.00 WAT +ATOM 25844 OH2 TIP3 6512 4.456 10.070 -24.250 1.00 0.00 WAT +ATOM 25845 H1 TIP3 6512 3.700 9.443 -24.247 1.00 0.00 WAT +ATOM 25846 H2 TIP3 6512 5.171 9.455 -24.483 1.00 0.00 WAT +ATOM 25847 OH2 TIP3 6513 9.146 9.941 -24.117 1.00 0.00 WAT +ATOM 25848 H1 TIP3 6513 9.194 9.151 -23.548 1.00 0.00 WAT +ATOM 25849 H2 TIP3 6513 10.006 9.907 -24.575 1.00 0.00 WAT +ATOM 25850 OH2 TIP3 6514 -0.101 5.704 -24.245 1.00 0.00 WAT +ATOM 25851 H1 TIP3 6514 0.029 4.962 -23.638 1.00 0.00 WAT +ATOM 25852 H2 TIP3 6514 0.758 5.719 -24.705 1.00 0.00 WAT +ATOM 25853 OH2 TIP3 6515 5.154 7.095 -24.636 1.00 0.00 WAT +ATOM 25854 H1 TIP3 6515 5.087 7.031 -23.662 1.00 0.00 WAT +ATOM 25855 H2 TIP3 6515 5.088 6.142 -24.862 1.00 0.00 WAT +ATOM 25856 OH2 TIP3 6516 11.543 4.289 -24.100 1.00 0.00 WAT +ATOM 25857 H1 TIP3 6516 11.573 3.780 -24.919 1.00 0.00 WAT +ATOM 25858 H2 TIP3 6516 11.541 5.209 -24.409 1.00 0.00 WAT +ATOM 25859 OH2 TIP3 6517 1.719 13.121 -22.578 1.00 0.00 WAT +ATOM 25860 H1 TIP3 6517 2.678 13.217 -22.473 1.00 0.00 WAT +ATOM 25861 H2 TIP3 6517 1.587 13.596 -23.410 1.00 0.00 WAT +ATOM 25862 OH2 TIP3 6518 -4.377 7.496 -23.084 1.00 0.00 WAT +ATOM 25863 H1 TIP3 6518 -3.423 7.671 -22.928 1.00 0.00 WAT +ATOM 25864 H2 TIP3 6518 -4.345 6.713 -23.674 1.00 0.00 WAT +ATOM 25865 OH2 TIP3 6519 -5.349 12.661 -18.197 1.00 0.00 WAT +ATOM 25866 H1 TIP3 6519 -6.056 12.310 -18.773 1.00 0.00 WAT +ATOM 25867 H2 TIP3 6519 -5.224 11.925 -17.570 1.00 0.00 WAT +ATOM 25868 OH2 TIP3 6520 -4.672 10.618 -16.174 1.00 0.00 WAT +ATOM 25869 H1 TIP3 6520 -5.209 9.811 -16.103 1.00 0.00 WAT +ATOM 25870 H2 TIP3 6520 -4.767 10.947 -15.271 1.00 0.00 WAT +ATOM 25871 OH2 TIP3 6521 10.632 0.815 -23.757 1.00 0.00 WAT +ATOM 25872 H1 TIP3 6521 11.151 1.332 -24.385 1.00 0.00 WAT +ATOM 25873 H2 TIP3 6521 10.691 -0.086 -24.112 1.00 0.00 WAT +ATOM 25874 OH2 TIP3 6522 10.461 -2.070 -24.268 1.00 0.00 WAT +ATOM 25875 H1 TIP3 6522 10.880 -2.669 -23.645 1.00 0.00 WAT +ATOM 25876 H2 TIP3 6522 9.581 -2.454 -24.391 1.00 0.00 WAT +ATOM 25877 OH2 TIP3 6523 -5.383 -3.481 -20.047 1.00 0.00 WAT +ATOM 25878 H1 TIP3 6523 -6.216 -3.086 -19.742 1.00 0.00 WAT +ATOM 25879 H2 TIP3 6523 -4.849 -2.714 -20.299 1.00 0.00 WAT +ATOM 25880 OH2 TIP3 6524 9.383 12.293 -18.143 1.00 0.00 WAT +ATOM 25881 H1 TIP3 6524 10.083 11.968 -18.739 1.00 0.00 WAT +ATOM 25882 H2 TIP3 6524 9.736 12.109 -17.273 1.00 0.00 WAT +ATOM 25883 OH2 TIP3 6525 9.285 13.129 -11.435 1.00 0.00 WAT +ATOM 25884 H1 TIP3 6525 9.151 14.021 -11.794 1.00 0.00 WAT +ATOM 25885 H2 TIP3 6525 9.008 12.524 -12.132 1.00 0.00 WAT +ATOM 25886 OH2 TIP3 6526 8.715 -4.888 -20.334 1.00 0.00 WAT +ATOM 25887 H1 TIP3 6526 7.993 -4.267 -20.474 1.00 0.00 WAT +ATOM 25888 H2 TIP3 6526 8.311 -5.716 -20.631 1.00 0.00 WAT +ATOM 25889 OH2 TIP3 6527 -3.868 10.610 -20.418 1.00 0.00 WAT +ATOM 25890 H1 TIP3 6527 -4.464 10.423 -21.156 1.00 0.00 WAT +ATOM 25891 H2 TIP3 6527 -3.955 11.570 -20.361 1.00 0.00 WAT +ATOM 25892 OH2 TIP3 6528 -2.273 -3.285 -23.224 1.00 0.00 WAT +ATOM 25893 H1 TIP3 6528 -1.710 -3.993 -23.562 1.00 0.00 WAT +ATOM 25894 H2 TIP3 6528 -1.718 -2.849 -22.573 1.00 0.00 WAT +ATOM 25895 OH2 TIP3 6529 4.730 12.593 -22.574 1.00 0.00 WAT +ATOM 25896 H1 TIP3 6529 5.704 12.583 -22.643 1.00 0.00 WAT +ATOM 25897 H2 TIP3 6529 4.507 11.886 -23.200 1.00 0.00 WAT +ATOM 25898 OH2 TIP3 6530 11.452 11.569 -19.875 1.00 0.00 WAT +ATOM 25899 H1 TIP3 6530 11.175 10.730 -20.305 1.00 0.00 WAT +ATOM 25900 H2 TIP3 6530 11.307 12.208 -20.594 1.00 0.00 WAT +ATOM 25901 OH2 TIP3 6531 -2.488 11.702 -23.818 1.00 0.00 WAT +ATOM 25902 H1 TIP3 6531 -2.694 11.986 -22.917 1.00 0.00 WAT +ATOM 25903 H2 TIP3 6531 -1.716 11.124 -23.691 1.00 0.00 WAT +ATOM 25904 OH2 TIP3 6532 24.956 4.018 -17.419 1.00 0.00 WAT +ATOM 25905 H1 TIP3 6532 24.953 4.976 -17.272 1.00 0.00 WAT +ATOM 25906 H2 TIP3 6532 24.222 3.906 -18.038 1.00 0.00 WAT +ATOM 25907 OH2 TIP3 6533 23.881 3.409 -14.264 1.00 0.00 WAT +ATOM 25908 H1 TIP3 6533 23.750 2.869 -13.469 1.00 0.00 WAT +ATOM 25909 H2 TIP3 6533 23.568 2.812 -14.957 1.00 0.00 WAT +ATOM 25910 OH2 TIP3 6534 27.490 6.254 -16.009 1.00 0.00 WAT +ATOM 25911 H1 TIP3 6534 27.135 5.520 -15.486 1.00 0.00 WAT +ATOM 25912 H2 TIP3 6534 27.778 6.848 -15.301 1.00 0.00 WAT +ATOM 25913 OH2 TIP3 6535 24.551 11.574 -15.509 1.00 0.00 WAT +ATOM 25914 H1 TIP3 6535 25.149 10.845 -15.759 1.00 0.00 WAT +ATOM 25915 H2 TIP3 6535 24.263 11.293 -14.630 1.00 0.00 WAT +ATOM 25916 OH2 TIP3 6536 22.252 5.947 -13.920 1.00 0.00 WAT +ATOM 25917 H1 TIP3 6536 22.733 5.171 -14.244 1.00 0.00 WAT +ATOM 25918 H2 TIP3 6536 22.774 6.154 -13.128 1.00 0.00 WAT +ATOM 25919 OH2 TIP3 6537 30.967 -2.433 -13.168 1.00 0.00 WAT +ATOM 25920 H1 TIP3 6537 31.182 -1.867 -12.414 1.00 0.00 WAT +ATOM 25921 H2 TIP3 6537 31.652 -2.178 -13.810 1.00 0.00 WAT +ATOM 25922 OH2 TIP3 6538 25.560 0.327 -13.250 1.00 0.00 WAT +ATOM 25923 H1 TIP3 6538 25.706 -0.635 -13.233 1.00 0.00 WAT +ATOM 25924 H2 TIP3 6538 25.429 0.477 -14.200 1.00 0.00 WAT +ATOM 25925 OH2 TIP3 6539 26.431 -1.488 -17.882 1.00 0.00 WAT +ATOM 25926 H1 TIP3 6539 26.978 -1.909 -17.182 1.00 0.00 WAT +ATOM 25927 H2 TIP3 6539 27.113 -1.031 -18.392 1.00 0.00 WAT +ATOM 25928 OH2 TIP3 6540 31.639 -0.939 -10.407 1.00 0.00 WAT +ATOM 25929 H1 TIP3 6540 30.974 -0.316 -10.743 1.00 0.00 WAT +ATOM 25930 H2 TIP3 6540 31.190 -1.278 -9.619 1.00 0.00 WAT +ATOM 25931 OH2 TIP3 6541 24.854 6.885 -18.630 1.00 0.00 WAT +ATOM 25932 H1 TIP3 6541 24.588 6.667 -19.526 1.00 0.00 WAT +ATOM 25933 H2 TIP3 6541 24.437 7.749 -18.473 1.00 0.00 WAT +ATOM 25934 OH2 TIP3 6542 28.254 -2.215 -15.820 1.00 0.00 WAT +ATOM 25935 H1 TIP3 6542 27.914 -2.899 -15.228 1.00 0.00 WAT +ATOM 25936 H2 TIP3 6542 28.766 -1.664 -15.204 1.00 0.00 WAT +ATOM 25937 OH2 TIP3 6543 18.386 7.069 -11.092 1.00 0.00 WAT +ATOM 25938 H1 TIP3 6543 18.199 7.938 -11.464 1.00 0.00 WAT +ATOM 25939 H2 TIP3 6543 17.573 6.810 -10.663 1.00 0.00 WAT +ATOM 25940 OH2 TIP3 6544 14.553 6.756 -20.186 1.00 0.00 WAT +ATOM 25941 H1 TIP3 6544 14.096 6.883 -21.027 1.00 0.00 WAT +ATOM 25942 H2 TIP3 6544 14.462 7.619 -19.775 1.00 0.00 WAT +ATOM 25943 OH2 TIP3 6545 28.084 8.065 -13.525 1.00 0.00 WAT +ATOM 25944 H1 TIP3 6545 27.112 8.127 -13.458 1.00 0.00 WAT +ATOM 25945 H2 TIP3 6545 28.305 8.947 -13.872 1.00 0.00 WAT +ATOM 25946 OH2 TIP3 6546 28.345 -2.787 -11.920 1.00 0.00 WAT +ATOM 25947 H1 TIP3 6546 27.558 -2.705 -12.489 1.00 0.00 WAT +ATOM 25948 H2 TIP3 6546 29.058 -2.917 -12.570 1.00 0.00 WAT +ATOM 25949 OH2 TIP3 6547 21.410 -5.278 -14.961 1.00 0.00 WAT +ATOM 25950 H1 TIP3 6547 21.363 -6.253 -14.963 1.00 0.00 WAT +ATOM 25951 H2 TIP3 6547 20.623 -5.052 -14.435 1.00 0.00 WAT +ATOM 25952 OH2 TIP3 6548 26.358 9.969 -17.014 1.00 0.00 WAT +ATOM 25953 H1 TIP3 6548 26.860 9.167 -17.260 1.00 0.00 WAT +ATOM 25954 H2 TIP3 6548 27.051 10.653 -17.060 1.00 0.00 WAT +ATOM 25955 OH2 TIP3 6549 27.820 7.832 -18.349 1.00 0.00 WAT +ATOM 25956 H1 TIP3 6549 27.309 7.345 -19.010 1.00 0.00 WAT +ATOM 25957 H2 TIP3 6549 27.775 7.215 -17.590 1.00 0.00 WAT +ATOM 25958 OH2 TIP3 6550 29.711 6.626 -9.936 1.00 0.00 WAT +ATOM 25959 H1 TIP3 6550 29.336 5.900 -10.474 1.00 0.00 WAT +ATOM 25960 H2 TIP3 6550 29.331 7.401 -10.383 1.00 0.00 WAT +ATOM 25961 OH2 TIP3 6551 23.617 3.653 -20.123 1.00 0.00 WAT +ATOM 25962 H1 TIP3 6551 22.928 4.053 -20.675 1.00 0.00 WAT +ATOM 25963 H2 TIP3 6551 24.361 3.582 -20.747 1.00 0.00 WAT +ATOM 25964 OH2 TIP3 6552 23.904 1.808 -23.130 1.00 0.00 WAT +ATOM 25965 H1 TIP3 6552 24.607 2.067 -22.507 1.00 0.00 WAT +ATOM 25966 H2 TIP3 6552 24.376 1.162 -23.675 1.00 0.00 WAT +ATOM 25967 OH2 TIP3 6553 27.130 3.567 -19.071 1.00 0.00 WAT +ATOM 25968 H1 TIP3 6553 26.450 3.761 -18.385 1.00 0.00 WAT +ATOM 25969 H2 TIP3 6553 27.739 3.001 -18.559 1.00 0.00 WAT +ATOM 25970 OH2 TIP3 6554 20.115 7.801 -14.886 1.00 0.00 WAT +ATOM 25971 H1 TIP3 6554 20.101 6.921 -15.262 1.00 0.00 WAT +ATOM 25972 H2 TIP3 6554 20.599 7.583 -14.070 1.00 0.00 WAT +ATOM 25973 OH2 TIP3 6555 25.253 8.648 -13.291 1.00 0.00 WAT +ATOM 25974 H1 TIP3 6555 25.331 9.342 -12.607 1.00 0.00 WAT +ATOM 25975 H2 TIP3 6555 25.031 7.852 -12.780 1.00 0.00 WAT +ATOM 25976 OH2 TIP3 6556 26.050 3.053 -21.615 1.00 0.00 WAT +ATOM 25977 H1 TIP3 6556 26.543 3.281 -20.798 1.00 0.00 WAT +ATOM 25978 H2 TIP3 6556 26.566 3.552 -22.294 1.00 0.00 WAT +ATOM 25979 OH2 TIP3 6557 23.499 9.625 -18.076 1.00 0.00 WAT +ATOM 25980 H1 TIP3 6557 24.007 9.830 -17.278 1.00 0.00 WAT +ATOM 25981 H2 TIP3 6557 23.079 10.471 -18.284 1.00 0.00 WAT +ATOM 25982 OH2 TIP3 6558 29.511 -5.246 -22.142 1.00 0.00 WAT +ATOM 25983 H1 TIP3 6558 28.630 -5.151 -21.732 1.00 0.00 WAT +ATOM 25984 H2 TIP3 6558 29.862 -4.345 -22.058 1.00 0.00 WAT +ATOM 25985 OH2 TIP3 6559 30.900 8.893 -23.604 1.00 0.00 WAT +ATOM 25986 H1 TIP3 6559 31.064 9.822 -23.346 1.00 0.00 WAT +ATOM 25987 H2 TIP3 6559 31.764 8.479 -23.405 1.00 0.00 WAT +ATOM 25988 OH2 TIP3 6560 22.998 12.312 -19.599 1.00 0.00 WAT +ATOM 25989 H1 TIP3 6560 23.110 12.460 -20.555 1.00 0.00 WAT +ATOM 25990 H2 TIP3 6560 23.083 13.209 -19.234 1.00 0.00 WAT +ATOM 25991 OH2 TIP3 6561 16.804 11.001 -18.026 1.00 0.00 WAT +ATOM 25992 H1 TIP3 6561 16.871 10.785 -17.067 1.00 0.00 WAT +ATOM 25993 H2 TIP3 6561 15.887 10.774 -18.235 1.00 0.00 WAT +ATOM 25994 OH2 TIP3 6562 26.374 11.753 -22.400 1.00 0.00 WAT +ATOM 25995 H1 TIP3 6562 26.960 11.099 -22.830 1.00 0.00 WAT +ATOM 25996 H2 TIP3 6562 26.332 11.399 -21.487 1.00 0.00 WAT +ATOM 25997 OH2 TIP3 6563 25.767 11.180 -19.602 1.00 0.00 WAT +ATOM 25998 H1 TIP3 6563 24.826 11.305 -19.400 1.00 0.00 WAT +ATOM 25999 H2 TIP3 6563 25.991 10.503 -18.936 1.00 0.00 WAT +ATOM 26000 OH2 TIP3 6564 18.923 -4.431 -13.614 1.00 0.00 WAT +ATOM 26001 H1 TIP3 6564 18.126 -4.628 -14.145 1.00 0.00 WAT +ATOM 26002 H2 TIP3 6564 18.794 -3.504 -13.389 1.00 0.00 WAT +ATOM 26003 OH2 TIP3 6565 27.631 4.124 -23.611 1.00 0.00 WAT +ATOM 26004 H1 TIP3 6565 27.423 3.915 -24.543 1.00 0.00 WAT +ATOM 26005 H2 TIP3 6565 28.581 4.326 -23.675 1.00 0.00 WAT +ATOM 26006 OH2 TIP3 6566 23.274 -2.133 -23.116 1.00 0.00 WAT +ATOM 26007 H1 TIP3 6566 22.784 -2.277 -22.287 1.00 0.00 WAT +ATOM 26008 H2 TIP3 6566 22.865 -2.816 -23.675 1.00 0.00 WAT +ATOM 26009 OH2 TIP3 6567 24.401 1.146 -18.975 1.00 0.00 WAT +ATOM 26010 H1 TIP3 6567 24.018 1.970 -19.331 1.00 0.00 WAT +ATOM 26011 H2 TIP3 6567 25.112 0.963 -19.610 1.00 0.00 WAT +ATOM 26012 OH2 TIP3 6568 25.239 0.634 -16.135 1.00 0.00 WAT +ATOM 26013 H1 TIP3 6568 24.966 1.178 -16.898 1.00 0.00 WAT +ATOM 26014 H2 TIP3 6568 25.448 -0.200 -16.595 1.00 0.00 WAT +ATOM 26015 OH2 TIP3 6569 19.712 -1.871 -24.193 1.00 0.00 WAT +ATOM 26016 H1 TIP3 6569 19.346 -2.114 -23.317 1.00 0.00 WAT +ATOM 26017 H2 TIP3 6569 18.925 -1.572 -24.661 1.00 0.00 WAT +ATOM 26018 OH2 TIP3 6570 24.672 2.378 -11.431 1.00 0.00 WAT +ATOM 26019 H1 TIP3 6570 25.158 1.682 -11.911 1.00 0.00 WAT +ATOM 26020 H2 TIP3 6570 24.585 2.036 -10.536 1.00 0.00 WAT +ATOM 26021 OH2 TIP3 6571 25.982 -2.593 -13.646 1.00 0.00 WAT +ATOM 26022 H1 TIP3 6571 25.352 -2.699 -12.902 1.00 0.00 WAT +ATOM 26023 H2 TIP3 6571 25.437 -2.937 -14.376 1.00 0.00 WAT +ATOM 26024 OH2 TIP3 6572 18.504 0.913 -22.575 1.00 0.00 WAT +ATOM 26025 H1 TIP3 6572 17.893 0.651 -23.274 1.00 0.00 WAT +ATOM 26026 H2 TIP3 6572 19.337 1.057 -23.047 1.00 0.00 WAT +ATOM 26027 OH2 TIP3 6573 28.972 12.968 -6.968 1.00 0.00 WAT +ATOM 26028 H1 TIP3 6573 29.027 13.386 -7.832 1.00 0.00 WAT +ATOM 26029 H2 TIP3 6573 29.632 13.415 -6.437 1.00 0.00 WAT +ATOM 26030 OH2 TIP3 6574 22.460 0.713 -14.732 1.00 0.00 WAT +ATOM 26031 H1 TIP3 6574 23.193 0.338 -15.231 1.00 0.00 WAT +ATOM 26032 H2 TIP3 6574 22.492 0.220 -13.900 1.00 0.00 WAT +ATOM 26033 OH2 TIP3 6575 21.617 5.702 -20.746 1.00 0.00 WAT +ATOM 26034 H1 TIP3 6575 20.934 5.070 -21.062 1.00 0.00 WAT +ATOM 26035 H2 TIP3 6575 21.563 5.568 -19.777 1.00 0.00 WAT +ATOM 26036 OH2 TIP3 6576 29.128 4.439 -11.856 1.00 0.00 WAT +ATOM 26037 H1 TIP3 6576 29.747 4.889 -12.460 1.00 0.00 WAT +ATOM 26038 H2 TIP3 6576 28.302 4.465 -12.371 1.00 0.00 WAT +ATOM 26039 OH2 TIP3 6577 25.954 -1.522 -22.995 1.00 0.00 WAT +ATOM 26040 H1 TIP3 6577 24.972 -1.589 -22.992 1.00 0.00 WAT +ATOM 26041 H2 TIP3 6577 26.135 -0.831 -22.325 1.00 0.00 WAT +ATOM 26042 OH2 TIP3 6578 26.628 0.283 -20.932 1.00 0.00 WAT +ATOM 26043 H1 TIP3 6578 27.489 0.101 -20.506 1.00 0.00 WAT +ATOM 26044 H2 TIP3 6578 26.777 1.152 -21.342 1.00 0.00 WAT +ATOM 26045 OH2 TIP3 6579 24.191 6.990 -21.849 1.00 0.00 WAT +ATOM 26046 H1 TIP3 6579 23.913 7.830 -21.437 1.00 0.00 WAT +ATOM 26047 H2 TIP3 6579 23.489 6.390 -21.550 1.00 0.00 WAT +ATOM 26048 OH2 TIP3 6580 25.843 8.350 -10.282 1.00 0.00 WAT +ATOM 26049 H1 TIP3 6580 24.889 8.328 -10.396 1.00 0.00 WAT +ATOM 26050 H2 TIP3 6580 25.949 8.331 -9.331 1.00 0.00 WAT +ATOM 26051 OH2 TIP3 6581 31.225 0.243 -21.188 1.00 0.00 WAT +ATOM 26052 H1 TIP3 6581 30.656 0.059 -21.959 1.00 0.00 WAT +ATOM 26053 H2 TIP3 6581 31.346 1.205 -21.309 1.00 0.00 WAT +ATOM 26054 OH2 TIP3 6582 29.408 8.878 -21.104 1.00 0.00 WAT +ATOM 26055 H1 TIP3 6582 29.185 8.119 -20.542 1.00 0.00 WAT +ATOM 26056 H2 TIP3 6582 29.978 8.486 -21.779 1.00 0.00 WAT +ATOM 26057 OH2 TIP3 6583 26.724 4.256 -13.670 1.00 0.00 WAT +ATOM 26058 H1 TIP3 6583 25.775 4.080 -13.815 1.00 0.00 WAT +ATOM 26059 H2 TIP3 6583 27.126 3.511 -14.151 1.00 0.00 WAT +ATOM 26060 OH2 TIP3 6584 14.913 3.137 -22.962 1.00 0.00 WAT +ATOM 26061 H1 TIP3 6584 15.613 3.648 -22.541 1.00 0.00 WAT +ATOM 26062 H2 TIP3 6584 14.107 3.549 -22.618 1.00 0.00 WAT +ATOM 26063 OH2 TIP3 6585 20.674 5.996 -18.050 1.00 0.00 WAT +ATOM 26064 H1 TIP3 6585 20.885 6.799 -17.567 1.00 0.00 WAT +ATOM 26065 H2 TIP3 6585 20.117 5.497 -17.442 1.00 0.00 WAT +ATOM 26066 OH2 TIP3 6586 21.355 10.398 -11.865 1.00 0.00 WAT +ATOM 26067 H1 TIP3 6586 22.015 11.086 -12.052 1.00 0.00 WAT +ATOM 26068 H2 TIP3 6586 21.864 9.710 -11.415 1.00 0.00 WAT +ATOM 26069 OH2 TIP3 6587 19.570 10.848 -18.476 1.00 0.00 WAT +ATOM 26070 H1 TIP3 6587 18.694 11.198 -18.214 1.00 0.00 WAT +ATOM 26071 H2 TIP3 6587 20.149 11.547 -18.115 1.00 0.00 WAT +ATOM 26072 OH2 TIP3 6588 24.769 5.919 -11.857 1.00 0.00 WAT +ATOM 26073 H1 TIP3 6588 24.530 5.653 -10.961 1.00 0.00 WAT +ATOM 26074 H2 TIP3 6588 25.444 5.261 -12.078 1.00 0.00 WAT +ATOM 26075 OH2 TIP3 6589 26.870 7.319 -23.194 1.00 0.00 WAT +ATOM 26076 H1 TIP3 6589 27.310 6.845 -22.464 1.00 0.00 WAT +ATOM 26077 H2 TIP3 6589 25.947 7.146 -22.942 1.00 0.00 WAT +ATOM 26078 OH2 TIP3 6590 31.623 11.554 -22.671 1.00 0.00 WAT +ATOM 26079 H1 TIP3 6590 32.322 12.198 -22.879 1.00 0.00 WAT +ATOM 26080 H2 TIP3 6590 30.855 12.153 -22.663 1.00 0.00 WAT +ATOM 26081 OH2 TIP3 6591 27.841 5.925 -20.808 1.00 0.00 WAT +ATOM 26082 H1 TIP3 6591 27.565 5.187 -20.235 1.00 0.00 WAT +ATOM 26083 H2 TIP3 6591 28.810 5.882 -20.724 1.00 0.00 WAT +ATOM 26084 OH2 TIP3 6592 21.123 8.348 -24.624 1.00 0.00 WAT +ATOM 26085 H1 TIP3 6592 21.431 7.612 -25.188 1.00 0.00 WAT +ATOM 26086 H2 TIP3 6592 20.687 7.851 -23.925 1.00 0.00 WAT +ATOM 26087 OH2 TIP3 6593 19.816 7.901 -21.343 1.00 0.00 WAT +ATOM 26088 H1 TIP3 6593 20.548 7.251 -21.337 1.00 0.00 WAT +ATOM 26089 H2 TIP3 6593 20.271 8.735 -21.585 1.00 0.00 WAT +ATOM 26090 OH2 TIP3 6594 16.965 5.387 -21.016 1.00 0.00 WAT +ATOM 26091 H1 TIP3 6594 16.028 5.581 -20.851 1.00 0.00 WAT +ATOM 26092 H2 TIP3 6594 17.173 5.909 -21.797 1.00 0.00 WAT +ATOM 26093 OH2 TIP3 6595 24.368 -2.438 -11.389 1.00 0.00 WAT +ATOM 26094 H1 TIP3 6595 24.974 -2.171 -10.691 1.00 0.00 WAT +ATOM 26095 H2 TIP3 6595 24.037 -3.287 -11.043 1.00 0.00 WAT +ATOM 26096 OH2 TIP3 6596 25.097 -2.756 -20.204 1.00 0.00 WAT +ATOM 26097 H1 TIP3 6596 25.298 -2.227 -20.988 1.00 0.00 WAT +ATOM 26098 H2 TIP3 6596 25.561 -2.270 -19.499 1.00 0.00 WAT +ATOM 26099 OH2 TIP3 6597 22.802 9.443 -21.328 1.00 0.00 WAT +ATOM 26100 H1 TIP3 6597 22.110 10.082 -21.101 1.00 0.00 WAT +ATOM 26101 H2 TIP3 6597 23.308 9.934 -21.992 1.00 0.00 WAT +ATOM 26102 OH2 TIP3 6598 22.241 -0.880 -19.266 1.00 0.00 WAT +ATOM 26103 H1 TIP3 6598 22.979 -0.256 -19.160 1.00 0.00 WAT +ATOM 26104 H2 TIP3 6598 21.794 -0.843 -18.411 1.00 0.00 WAT +ATOM 26105 OH2 TIP3 6599 23.052 -3.717 -18.331 1.00 0.00 WAT +ATOM 26106 H1 TIP3 6599 23.036 -3.120 -17.566 1.00 0.00 WAT +ATOM 26107 H2 TIP3 6599 23.762 -3.315 -18.869 1.00 0.00 WAT +ATOM 26108 OH2 TIP3 6600 20.066 10.613 -21.215 1.00 0.00 WAT +ATOM 26109 H1 TIP3 6600 20.035 11.380 -21.827 1.00 0.00 WAT +ATOM 26110 H2 TIP3 6600 20.007 11.056 -20.351 1.00 0.00 WAT +ATOM 26111 OH2 TIP3 6601 18.730 -2.541 -21.632 1.00 0.00 WAT +ATOM 26112 H1 TIP3 6601 18.727 -1.725 -21.110 1.00 0.00 WAT +ATOM 26113 H2 TIP3 6601 19.475 -3.024 -21.231 1.00 0.00 WAT +ATOM 26114 OH2 TIP3 6602 29.002 -1.847 -9.174 1.00 0.00 WAT +ATOM 26115 H1 TIP3 6602 28.088 -1.529 -9.177 1.00 0.00 WAT +ATOM 26116 H2 TIP3 6602 29.075 -2.205 -10.075 1.00 0.00 WAT +ATOM 26117 OH2 TIP3 6603 27.662 1.954 -15.265 1.00 0.00 WAT +ATOM 26118 H1 TIP3 6603 26.809 1.525 -15.462 1.00 0.00 WAT +ATOM 26119 H2 TIP3 6603 28.125 1.259 -14.746 1.00 0.00 WAT +ATOM 26120 OH2 TIP3 6604 17.220 8.069 -22.755 1.00 0.00 WAT +ATOM 26121 H1 TIP3 6604 17.967 8.556 -22.378 1.00 0.00 WAT +ATOM 26122 H2 TIP3 6604 17.686 7.516 -23.402 1.00 0.00 WAT +ATOM 26123 OH2 TIP3 6605 15.430 0.301 -23.748 1.00 0.00 WAT +ATOM 26124 H1 TIP3 6605 15.490 1.000 -23.082 1.00 0.00 WAT +ATOM 26125 H2 TIP3 6605 14.500 0.070 -23.734 1.00 0.00 WAT +ATOM 26126 OH2 TIP3 6606 28.713 10.832 -13.843 1.00 0.00 WAT +ATOM 26127 H1 TIP3 6606 28.518 11.663 -14.315 1.00 0.00 WAT +ATOM 26128 H2 TIP3 6606 29.631 10.995 -13.574 1.00 0.00 WAT +ATOM 26129 OH2 TIP3 6607 16.214 -5.179 -14.987 1.00 0.00 WAT +ATOM 26130 H1 TIP3 6607 15.913 -5.128 -15.911 1.00 0.00 WAT +ATOM 26131 H2 TIP3 6607 15.704 -5.925 -14.632 1.00 0.00 WAT +ATOM 26132 OH2 TIP3 6608 23.350 10.056 -24.151 1.00 0.00 WAT +ATOM 26133 H1 TIP3 6608 22.607 9.423 -24.242 1.00 0.00 WAT +ATOM 26134 H2 TIP3 6608 24.076 9.517 -24.507 1.00 0.00 WAT +ATOM 26135 OH2 TIP3 6609 27.975 9.965 -24.028 1.00 0.00 WAT +ATOM 26136 H1 TIP3 6609 28.108 9.158 -23.502 1.00 0.00 WAT +ATOM 26137 H2 TIP3 6609 28.778 9.978 -24.578 1.00 0.00 WAT +ATOM 26138 OH2 TIP3 6610 18.782 5.790 -24.189 1.00 0.00 WAT +ATOM 26139 H1 TIP3 6610 18.945 5.079 -23.545 1.00 0.00 WAT +ATOM 26140 H2 TIP3 6610 19.581 5.709 -24.747 1.00 0.00 WAT +ATOM 26141 OH2 TIP3 6611 23.972 7.105 -24.674 1.00 0.00 WAT +ATOM 26142 H1 TIP3 6611 23.990 7.049 -23.702 1.00 0.00 WAT +ATOM 26143 H2 TIP3 6611 23.957 6.149 -24.895 1.00 0.00 WAT +ATOM 26144 OH2 TIP3 6612 19.808 3.778 -21.841 1.00 0.00 WAT +ATOM 26145 H1 TIP3 6612 19.177 3.228 -21.349 1.00 0.00 WAT +ATOM 26146 H2 TIP3 6612 20.109 3.124 -22.508 1.00 0.00 WAT +ATOM 26147 OH2 TIP3 6613 20.866 1.987 -23.726 1.00 0.00 WAT +ATOM 26148 H1 TIP3 6613 20.818 1.996 -24.697 1.00 0.00 WAT +ATOM 26149 H2 TIP3 6613 21.820 1.870 -23.566 1.00 0.00 WAT +ATOM 26150 OH2 TIP3 6614 30.320 4.404 -24.372 1.00 0.00 WAT +ATOM 26151 H1 TIP3 6614 30.227 3.960 -25.228 1.00 0.00 WAT +ATOM 26152 H2 TIP3 6614 30.213 5.343 -24.635 1.00 0.00 WAT +ATOM 26153 OH2 TIP3 6615 20.587 13.062 -22.604 1.00 0.00 WAT +ATOM 26154 H1 TIP3 6615 21.533 13.227 -22.480 1.00 0.00 WAT +ATOM 26155 H2 TIP3 6615 20.422 13.565 -23.413 1.00 0.00 WAT +ATOM 26156 OH2 TIP3 6616 14.444 7.481 -23.060 1.00 0.00 WAT +ATOM 26157 H1 TIP3 6616 15.387 7.686 -22.884 1.00 0.00 WAT +ATOM 26158 H2 TIP3 6616 14.504 6.707 -23.654 1.00 0.00 WAT +ATOM 26159 OH2 TIP3 6617 13.495 12.594 -17.984 1.00 0.00 WAT +ATOM 26160 H1 TIP3 6617 12.864 12.302 -18.671 1.00 0.00 WAT +ATOM 26161 H2 TIP3 6617 13.411 11.907 -17.319 1.00 0.00 WAT +ATOM 26162 OH2 TIP3 6618 31.445 11.896 -13.316 1.00 0.00 WAT +ATOM 26163 H1 TIP3 6618 31.525 12.015 -12.356 1.00 0.00 WAT +ATOM 26164 H2 TIP3 6618 32.245 12.330 -13.638 1.00 0.00 WAT +ATOM 26165 OH2 TIP3 6619 31.391 11.316 -10.451 1.00 0.00 WAT +ATOM 26166 H1 TIP3 6619 30.702 10.665 -10.690 1.00 0.00 WAT +ATOM 26167 H2 TIP3 6619 31.788 10.939 -9.661 1.00 0.00 WAT +ATOM 26168 OH2 TIP3 6620 30.709 5.776 -20.430 1.00 0.00 WAT +ATOM 26169 H1 TIP3 6620 31.621 6.076 -20.258 1.00 0.00 WAT +ATOM 26170 H2 TIP3 6620 30.610 5.127 -19.709 1.00 0.00 WAT +ATOM 26171 OH2 TIP3 6621 31.166 3.731 -18.459 1.00 0.00 WAT +ATOM 26172 H1 TIP3 6621 30.491 3.172 -18.026 1.00 0.00 WAT +ATOM 26173 H2 TIP3 6621 31.843 3.839 -17.762 1.00 0.00 WAT +ATOM 26174 OH2 TIP3 6622 30.952 6.320 -13.334 1.00 0.00 WAT +ATOM 26175 H1 TIP3 6622 31.535 5.662 -13.748 1.00 0.00 WAT +ATOM 26176 H2 TIP3 6622 31.149 7.128 -13.831 1.00 0.00 WAT +ATOM 26177 OH2 TIP3 6623 29.402 9.207 -11.071 1.00 0.00 WAT +ATOM 26178 H1 TIP3 6623 28.567 9.542 -10.713 1.00 0.00 WAT +ATOM 26179 H2 TIP3 6623 29.082 8.811 -11.909 1.00 0.00 WAT +ATOM 26180 OH2 TIP3 6624 31.442 3.176 -21.892 1.00 0.00 WAT +ATOM 26181 H1 TIP3 6624 30.915 3.465 -22.659 1.00 0.00 WAT +ATOM 26182 H2 TIP3 6624 31.296 3.908 -21.274 1.00 0.00 WAT +ATOM 26183 OH2 TIP3 6625 29.671 0.751 -23.629 1.00 0.00 WAT +ATOM 26184 H1 TIP3 6625 29.964 1.312 -24.358 1.00 0.00 WAT +ATOM 26185 H2 TIP3 6625 29.452 -0.088 -24.081 1.00 0.00 WAT +ATOM 26186 OH2 TIP3 6626 29.080 1.865 -17.656 1.00 0.00 WAT +ATOM 26187 H1 TIP3 6626 29.030 0.905 -17.793 1.00 0.00 WAT +ATOM 26188 H2 TIP3 6626 28.703 1.957 -16.755 1.00 0.00 WAT +ATOM 26189 OH2 TIP3 6627 29.168 -1.914 -24.414 1.00 0.00 WAT +ATOM 26190 H1 TIP3 6627 29.753 -2.416 -23.816 1.00 0.00 WAT +ATOM 26191 H2 TIP3 6627 28.360 -2.448 -24.446 1.00 0.00 WAT +ATOM 26192 OH2 TIP3 6628 28.967 -0.647 -19.478 1.00 0.00 WAT +ATOM 26193 H1 TIP3 6628 29.199 -1.598 -19.402 1.00 0.00 WAT +ATOM 26194 H2 TIP3 6628 29.787 -0.300 -19.871 1.00 0.00 WAT +ATOM 26195 OH2 TIP3 6629 29.166 0.030 -13.955 1.00 0.00 WAT +ATOM 26196 H1 TIP3 6629 30.138 0.114 -13.954 1.00 0.00 WAT +ATOM 26197 H2 TIP3 6629 28.995 0.060 -13.000 1.00 0.00 WAT +ATOM 26198 OH2 TIP3 6630 29.300 1.111 -11.170 1.00 0.00 WAT +ATOM 26199 H1 TIP3 6630 28.446 1.250 -10.740 1.00 0.00 WAT +ATOM 26200 H2 TIP3 6630 29.529 2.004 -11.463 1.00 0.00 WAT +ATOM 26201 OH2 TIP3 6631 29.443 -3.447 -19.495 1.00 0.00 WAT +ATOM 26202 H1 TIP3 6631 29.567 -3.783 -18.586 1.00 0.00 WAT +ATOM 26203 H2 TIP3 6631 28.642 -3.937 -19.769 1.00 0.00 WAT +ATOM 26204 OH2 TIP3 6632 31.408 -2.935 -22.851 1.00 0.00 WAT +ATOM 26205 H1 TIP3 6632 31.734 -3.757 -23.256 1.00 0.00 WAT +ATOM 26206 H2 TIP3 6632 32.231 -2.436 -22.719 1.00 0.00 WAT +ATOM 26207 OH2 TIP3 6633 28.267 12.054 -17.554 1.00 0.00 WAT +ATOM 26208 H1 TIP3 6633 28.774 11.775 -18.335 1.00 0.00 WAT +ATOM 26209 H2 TIP3 6633 28.960 12.420 -16.990 1.00 0.00 WAT +ATOM 26210 OH2 TIP3 6634 18.707 9.806 -10.463 1.00 0.00 WAT +ATOM 26211 H1 TIP3 6634 19.252 9.034 -10.276 1.00 0.00 WAT +ATOM 26212 H2 TIP3 6634 19.322 10.429 -10.879 1.00 0.00 WAT +ATOM 26213 OH2 TIP3 6635 30.199 -4.870 -9.687 1.00 0.00 WAT +ATOM 26214 H1 TIP3 6635 29.352 -4.669 -10.112 1.00 0.00 WAT +ATOM 26215 H2 TIP3 6635 30.332 -5.784 -9.996 1.00 0.00 WAT +ATOM 26216 OH2 TIP3 6636 16.147 13.280 -10.474 1.00 0.00 WAT +ATOM 26217 H1 TIP3 6636 15.411 13.471 -11.079 1.00 0.00 WAT +ATOM 26218 H2 TIP3 6636 15.796 12.620 -9.860 1.00 0.00 WAT +ATOM 26219 OH2 TIP3 6637 18.765 12.472 -12.154 1.00 0.00 WAT +ATOM 26220 H1 TIP3 6637 18.097 12.640 -11.473 1.00 0.00 WAT +ATOM 26221 H2 TIP3 6637 18.659 13.234 -12.738 1.00 0.00 WAT +ATOM 26222 OH2 TIP3 6638 23.169 12.578 -12.684 1.00 0.00 WAT +ATOM 26223 H1 TIP3 6638 22.777 13.045 -13.443 1.00 0.00 WAT +ATOM 26224 H2 TIP3 6638 23.306 13.306 -12.048 1.00 0.00 WAT +ATOM 26225 OH2 TIP3 6639 25.474 11.134 -11.946 1.00 0.00 WAT +ATOM 26226 H1 TIP3 6639 24.640 11.602 -12.112 1.00 0.00 WAT +ATOM 26227 H2 TIP3 6639 26.024 11.807 -11.527 1.00 0.00 WAT +ATOM 26228 OH2 TIP3 6640 28.234 12.826 -11.422 1.00 0.00 WAT +ATOM 26229 H1 TIP3 6640 27.996 13.720 -11.709 1.00 0.00 WAT +ATOM 26230 H2 TIP3 6640 28.229 12.328 -12.252 1.00 0.00 WAT +ATOM 26231 OH2 TIP3 6641 17.726 10.281 -15.518 1.00 0.00 WAT +ATOM 26232 H1 TIP3 6641 17.482 9.517 -14.985 1.00 0.00 WAT +ATOM 26233 H2 TIP3 6641 18.544 10.572 -15.063 1.00 0.00 WAT +ATOM 26234 OH2 TIP3 6642 20.369 10.710 -14.586 1.00 0.00 WAT +ATOM 26235 H1 TIP3 6642 20.496 9.762 -14.779 1.00 0.00 WAT +ATOM 26236 H2 TIP3 6642 20.471 10.713 -13.613 1.00 0.00 WAT +ATOM 26237 OH2 TIP3 6643 23.586 -3.310 -15.329 1.00 0.00 WAT +ATOM 26238 H1 TIP3 6643 22.858 -3.925 -15.120 1.00 0.00 WAT +ATOM 26239 H2 TIP3 6643 24.197 -3.876 -15.826 1.00 0.00 WAT +ATOM 26240 OH2 TIP3 6644 28.563 -5.261 -14.743 1.00 0.00 WAT +ATOM 26241 H1 TIP3 6644 29.338 -4.938 -15.226 1.00 0.00 WAT +ATOM 26242 H2 TIP3 6644 27.823 -5.115 -15.350 1.00 0.00 WAT +ATOM 26243 OH2 TIP3 6645 30.605 -4.272 -16.939 1.00 0.00 WAT +ATOM 26244 H1 TIP3 6645 31.342 -4.718 -17.392 1.00 0.00 WAT +ATOM 26245 H2 TIP3 6645 30.954 -3.373 -16.801 1.00 0.00 WAT +ATOM 26246 OH2 TIP3 6646 15.834 -4.799 -17.750 1.00 0.00 WAT +ATOM 26247 H1 TIP3 6646 15.119 -5.053 -18.341 1.00 0.00 WAT +ATOM 26248 H2 TIP3 6646 16.554 -5.382 -18.035 1.00 0.00 WAT +ATOM 26249 OH2 TIP3 6647 14.595 -5.021 -21.617 1.00 0.00 WAT +ATOM 26250 H1 TIP3 6647 15.198 -4.558 -22.228 1.00 0.00 WAT +ATOM 26251 H2 TIP3 6647 14.230 -4.273 -21.132 1.00 0.00 WAT +ATOM 26252 OH2 TIP3 6648 20.452 -4.985 -17.755 1.00 0.00 WAT +ATOM 26253 H1 TIP3 6648 21.307 -4.557 -17.920 1.00 0.00 WAT +ATOM 26254 H2 TIP3 6648 20.437 -5.000 -16.789 1.00 0.00 WAT +ATOM 26255 OH2 TIP3 6649 25.966 -4.804 -16.403 1.00 0.00 WAT +ATOM 26256 H1 TIP3 6649 26.281 -5.049 -17.283 1.00 0.00 WAT +ATOM 26257 H2 TIP3 6649 25.616 -5.654 -16.075 1.00 0.00 WAT +ATOM 26258 OH2 TIP3 6650 27.105 -4.848 -20.459 1.00 0.00 WAT +ATOM 26259 H1 TIP3 6650 26.271 -4.349 -20.550 1.00 0.00 WAT +ATOM 26260 H2 TIP3 6650 26.767 -5.731 -20.228 1.00 0.00 WAT +ATOM 26261 OH2 TIP3 6651 14.817 10.568 -20.483 1.00 0.00 WAT +ATOM 26262 H1 TIP3 6651 14.222 10.501 -21.246 1.00 0.00 WAT +ATOM 26263 H2 TIP3 6651 14.933 11.524 -20.436 1.00 0.00 WAT +ATOM 26264 OH2 TIP3 6652 16.520 -3.368 -23.242 1.00 0.00 WAT +ATOM 26265 H1 TIP3 6652 17.165 -3.894 -23.740 1.00 0.00 WAT +ATOM 26266 H2 TIP3 6652 17.088 -2.994 -22.536 1.00 0.00 WAT +ATOM 26267 OH2 TIP3 6653 21.651 -3.136 -20.812 1.00 0.00 WAT +ATOM 26268 H1 TIP3 6653 21.877 -3.741 -20.090 1.00 0.00 WAT +ATOM 26269 H2 TIP3 6653 21.725 -2.284 -20.338 1.00 0.00 WAT +ATOM 26270 OH2 TIP3 6654 23.621 12.569 -22.506 1.00 0.00 WAT +ATOM 26271 H1 TIP3 6654 24.596 12.586 -22.556 1.00 0.00 WAT +ATOM 26272 H2 TIP3 6654 23.425 11.926 -23.208 1.00 0.00 WAT +ATOM 26273 OH2 TIP3 6655 30.123 11.597 -19.933 1.00 0.00 WAT +ATOM 26274 H1 TIP3 6655 29.891 10.746 -20.359 1.00 0.00 WAT +ATOM 26275 H2 TIP3 6655 30.094 12.202 -20.690 1.00 0.00 WAT +ATOM 26276 OH2 TIP3 6656 16.375 11.701 -23.831 1.00 0.00 WAT +ATOM 26277 H1 TIP3 6656 16.144 11.996 -22.939 1.00 0.00 WAT +ATOM 26278 H2 TIP3 6656 17.155 11.141 -23.683 1.00 0.00 WAT +ATOM 26279 OH2 TIP3 6657 42.074 3.265 -14.292 1.00 0.00 WAT +ATOM 26280 H1 TIP3 6657 42.877 3.384 -13.753 1.00 0.00 WAT +ATOM 26281 H2 TIP3 6657 42.438 3.053 -15.159 1.00 0.00 WAT +ATOM 26282 OH2 TIP3 6658 35.152 3.108 -12.600 1.00 0.00 WAT +ATOM 26283 H1 TIP3 6658 35.187 2.308 -12.041 1.00 0.00 WAT +ATOM 26284 H2 TIP3 6658 35.955 3.575 -12.333 1.00 0.00 WAT +ATOM 26285 OH2 TIP3 6659 35.833 7.732 -14.088 1.00 0.00 WAT +ATOM 26286 H1 TIP3 6659 35.580 6.821 -14.366 1.00 0.00 WAT +ATOM 26287 H2 TIP3 6659 36.790 7.594 -13.991 1.00 0.00 WAT +ATOM 26288 OH2 TIP3 6660 32.812 1.149 -18.818 1.00 0.00 WAT +ATOM 26289 H1 TIP3 6660 32.364 2.001 -18.701 1.00 0.00 WAT +ATOM 26290 H2 TIP3 6660 32.094 0.595 -19.146 1.00 0.00 WAT +ATOM 26291 OH2 TIP3 6661 33.571 3.584 -16.874 1.00 0.00 WAT +ATOM 26292 H1 TIP3 6661 33.713 2.750 -16.384 1.00 0.00 WAT +ATOM 26293 H2 TIP3 6661 34.394 3.648 -17.375 1.00 0.00 WAT +ATOM 26294 OH2 TIP3 6662 41.173 6.000 -13.668 1.00 0.00 WAT +ATOM 26295 H1 TIP3 6662 41.423 5.214 -14.191 1.00 0.00 WAT +ATOM 26296 H2 TIP3 6662 42.004 6.178 -13.210 1.00 0.00 WAT +ATOM 26297 OH2 TIP3 6663 37.442 -1.649 -16.182 1.00 0.00 WAT +ATOM 26298 H1 TIP3 6663 37.582 -0.797 -16.639 1.00 0.00 WAT +ATOM 26299 H2 TIP3 6663 37.091 -2.184 -16.917 1.00 0.00 WAT +ATOM 26300 OH2 TIP3 6664 34.124 1.094 -15.673 1.00 0.00 WAT +ATOM 26301 H1 TIP3 6664 34.718 0.582 -15.098 1.00 0.00 WAT +ATOM 26302 H2 TIP3 6664 34.178 0.583 -16.499 1.00 0.00 WAT +ATOM 26303 OH2 TIP3 6665 39.502 2.428 -16.192 1.00 0.00 WAT +ATOM 26304 H1 TIP3 6665 40.264 1.909 -15.853 1.00 0.00 WAT +ATOM 26305 H2 TIP3 6665 39.022 1.736 -16.680 1.00 0.00 WAT +ATOM 26306 OH2 TIP3 6666 36.249 -2.839 -12.005 1.00 0.00 WAT +ATOM 26307 H1 TIP3 6666 35.809 -2.385 -12.737 1.00 0.00 WAT +ATOM 26308 H2 TIP3 6666 35.566 -2.757 -11.308 1.00 0.00 WAT +ATOM 26309 OH2 TIP3 6667 39.083 5.081 -11.828 1.00 0.00 WAT +ATOM 26310 H1 TIP3 6667 38.298 5.644 -11.776 1.00 0.00 WAT +ATOM 26311 H2 TIP3 6667 39.751 5.651 -12.247 1.00 0.00 WAT +ATOM 26312 OH2 TIP3 6668 35.831 -0.796 -14.110 1.00 0.00 WAT +ATOM 26313 H1 TIP3 6668 36.495 -0.252 -13.637 1.00 0.00 WAT +ATOM 26314 H2 TIP3 6668 36.406 -1.196 -14.800 1.00 0.00 WAT +ATOM 26315 OH2 TIP3 6669 36.569 6.823 -11.002 1.00 0.00 WAT +ATOM 26316 H1 TIP3 6669 36.817 7.702 -11.326 1.00 0.00 WAT +ATOM 26317 H2 TIP3 6669 36.152 6.997 -10.155 1.00 0.00 WAT +ATOM 26318 OH2 TIP3 6670 33.476 6.599 -20.302 1.00 0.00 WAT +ATOM 26319 H1 TIP3 6670 33.263 7.101 -21.106 1.00 0.00 WAT +ATOM 26320 H2 TIP3 6670 33.636 7.293 -19.630 1.00 0.00 WAT +ATOM 26321 OH2 TIP3 6671 40.443 -5.404 -14.871 1.00 0.00 WAT +ATOM 26322 H1 TIP3 6671 40.158 -6.337 -14.905 1.00 0.00 WAT +ATOM 26323 H2 TIP3 6671 39.635 -4.974 -14.518 1.00 0.00 WAT +ATOM 26324 OH2 TIP3 6672 42.694 3.459 -20.238 1.00 0.00 WAT +ATOM 26325 H1 TIP3 6672 41.995 4.124 -20.375 1.00 0.00 WAT +ATOM 26326 H2 TIP3 6672 43.278 3.640 -20.973 1.00 0.00 WAT +ATOM 26327 OH2 TIP3 6673 42.911 1.941 -23.084 1.00 0.00 WAT +ATOM 26328 H1 TIP3 6673 43.613 1.842 -22.421 1.00 0.00 WAT +ATOM 26329 H2 TIP3 6673 42.935 1.106 -23.560 1.00 0.00 WAT +ATOM 26330 OH2 TIP3 6674 37.593 4.331 -17.307 1.00 0.00 WAT +ATOM 26331 H1 TIP3 6674 37.277 3.870 -18.108 1.00 0.00 WAT +ATOM 26332 H2 TIP3 6674 38.217 3.678 -16.937 1.00 0.00 WAT +ATOM 26333 OH2 TIP3 6675 38.954 7.679 -14.524 1.00 0.00 WAT +ATOM 26334 H1 TIP3 6675 38.877 7.303 -15.412 1.00 0.00 WAT +ATOM 26335 H2 TIP3 6675 39.772 7.247 -14.206 1.00 0.00 WAT +ATOM 26336 OH2 TIP3 6676 38.161 3.210 -13.815 1.00 0.00 WAT +ATOM 26337 H1 TIP3 6676 38.763 3.128 -14.584 1.00 0.00 WAT +ATOM 26338 H2 TIP3 6676 38.661 3.796 -13.222 1.00 0.00 WAT +ATOM 26339 OH2 TIP3 6677 39.052 7.552 -9.007 1.00 0.00 WAT +ATOM 26340 H1 TIP3 6677 38.536 8.145 -8.436 1.00 0.00 WAT +ATOM 26341 H2 TIP3 6677 38.397 7.236 -9.642 1.00 0.00 WAT +ATOM 26342 OH2 TIP3 6678 35.787 3.746 -9.662 1.00 0.00 WAT +ATOM 26343 H1 TIP3 6678 35.756 4.441 -8.989 1.00 0.00 WAT +ATOM 26344 H2 TIP3 6678 34.902 3.770 -10.043 1.00 0.00 WAT +ATOM 26345 OH2 TIP3 6679 42.510 9.580 -18.131 1.00 0.00 WAT +ATOM 26346 H1 TIP3 6679 42.993 10.046 -17.428 1.00 0.00 WAT +ATOM 26347 H2 TIP3 6679 41.992 10.293 -18.526 1.00 0.00 WAT +ATOM 26348 OH2 TIP3 6680 36.936 9.503 -8.156 1.00 0.00 WAT +ATOM 26349 H1 TIP3 6680 36.958 9.706 -9.106 1.00 0.00 WAT +ATOM 26350 H2 TIP3 6680 35.997 9.485 -7.945 1.00 0.00 WAT +ATOM 26351 OH2 TIP3 6681 36.503 3.088 -19.768 1.00 0.00 WAT +ATOM 26352 H1 TIP3 6681 36.278 3.832 -20.350 1.00 0.00 WAT +ATOM 26353 H2 TIP3 6681 35.854 2.420 -20.028 1.00 0.00 WAT +ATOM 26354 OH2 TIP3 6682 32.610 8.672 -14.160 1.00 0.00 WAT +ATOM 26355 H1 TIP3 6682 33.538 8.404 -14.096 1.00 0.00 WAT +ATOM 26356 H2 TIP3 6682 32.509 9.365 -13.498 1.00 0.00 WAT +ATOM 26357 OH2 TIP3 6683 41.715 8.555 -9.546 1.00 0.00 WAT +ATOM 26358 H1 TIP3 6683 41.816 9.390 -9.070 1.00 0.00 WAT +ATOM 26359 H2 TIP3 6683 40.846 8.224 -9.252 1.00 0.00 WAT +ATOM 26360 OH2 TIP3 6684 41.803 12.345 -19.596 1.00 0.00 WAT +ATOM 26361 H1 TIP3 6684 42.058 12.383 -20.529 1.00 0.00 WAT +ATOM 26362 H2 TIP3 6684 42.080 13.198 -19.240 1.00 0.00 WAT +ATOM 26363 OH2 TIP3 6685 35.725 11.488 -17.933 1.00 0.00 WAT +ATOM 26364 H1 TIP3 6685 35.887 11.024 -17.088 1.00 0.00 WAT +ATOM 26365 H2 TIP3 6685 34.914 11.054 -18.233 1.00 0.00 WAT +ATOM 26366 OH2 TIP3 6686 37.972 -4.214 -14.049 1.00 0.00 WAT +ATOM 26367 H1 TIP3 6686 37.144 -4.312 -14.552 1.00 0.00 WAT +ATOM 26368 H2 TIP3 6686 37.719 -3.502 -13.442 1.00 0.00 WAT +ATOM 26369 OH2 TIP3 6687 42.323 -4.873 -9.767 1.00 0.00 WAT +ATOM 26370 H1 TIP3 6687 42.440 -5.608 -9.148 1.00 0.00 WAT +ATOM 26371 H2 TIP3 6687 41.410 -5.040 -10.081 1.00 0.00 WAT +ATOM 26372 OH2 TIP3 6688 42.278 -2.037 -23.145 1.00 0.00 WAT +ATOM 26373 H1 TIP3 6688 41.789 -2.184 -22.321 1.00 0.00 WAT +ATOM 26374 H2 TIP3 6688 41.965 -2.800 -23.654 1.00 0.00 WAT +ATOM 26375 OH2 TIP3 6689 37.798 0.570 -12.629 1.00 0.00 WAT +ATOM 26376 H1 TIP3 6689 37.186 0.645 -11.879 1.00 0.00 WAT +ATOM 26377 H2 TIP3 6689 37.852 1.485 -12.972 1.00 0.00 WAT +ATOM 26378 OH2 TIP3 6690 37.737 0.653 -17.745 1.00 0.00 WAT +ATOM 26379 H1 TIP3 6690 36.780 0.529 -17.896 1.00 0.00 WAT +ATOM 26380 H2 TIP3 6690 38.089 0.434 -18.628 1.00 0.00 WAT +ATOM 26381 OH2 TIP3 6691 42.809 1.154 -18.270 1.00 0.00 WAT +ATOM 26382 H1 TIP3 6691 42.670 2.093 -18.482 1.00 0.00 WAT +ATOM 26383 H2 TIP3 6691 43.714 1.127 -17.938 1.00 0.00 WAT +ATOM 26384 OH2 TIP3 6692 42.492 1.452 -7.437 1.00 0.00 WAT +ATOM 26385 H1 TIP3 6692 41.951 0.647 -7.277 1.00 0.00 WAT +ATOM 26386 H2 TIP3 6692 43.377 1.040 -7.432 1.00 0.00 WAT +ATOM 26387 OH2 TIP3 6693 35.208 0.719 -10.803 1.00 0.00 WAT +ATOM 26388 H1 TIP3 6693 35.425 0.976 -9.899 1.00 0.00 WAT +ATOM 26389 H2 TIP3 6693 34.803 -0.157 -10.654 1.00 0.00 WAT +ATOM 26390 OH2 TIP3 6694 38.630 -1.629 -24.221 1.00 0.00 WAT +ATOM 26391 H1 TIP3 6694 38.254 -1.989 -23.391 1.00 0.00 WAT +ATOM 26392 H2 TIP3 6694 37.847 -1.549 -24.779 1.00 0.00 WAT +ATOM 26393 OH2 TIP3 6695 32.037 -1.740 -17.187 1.00 0.00 WAT +ATOM 26394 H1 TIP3 6695 32.597 -1.821 -16.393 1.00 0.00 WAT +ATOM 26395 H2 TIP3 6695 32.520 -2.238 -17.863 1.00 0.00 WAT +ATOM 26396 OH2 TIP3 6696 33.582 -1.382 -21.455 1.00 0.00 WAT +ATOM 26397 H1 TIP3 6696 34.140 -0.891 -22.090 1.00 0.00 WAT +ATOM 26398 H2 TIP3 6696 32.897 -0.722 -21.250 1.00 0.00 WAT +ATOM 26399 OH2 TIP3 6697 43.439 2.019 -11.381 1.00 0.00 WAT +ATOM 26400 H1 TIP3 6697 43.765 1.364 -12.035 1.00 0.00 WAT +ATOM 26401 H2 TIP3 6697 42.711 1.508 -10.993 1.00 0.00 WAT +ATOM 26402 OH2 TIP3 6698 40.486 -1.916 -16.712 1.00 0.00 WAT +ATOM 26403 H1 TIP3 6698 39.545 -1.897 -16.472 1.00 0.00 WAT +ATOM 26404 H2 TIP3 6698 40.895 -1.820 -15.838 1.00 0.00 WAT +ATOM 26405 OH2 TIP3 6699 35.109 -0.526 -18.055 1.00 0.00 WAT +ATOM 26406 H1 TIP3 6699 34.272 -0.288 -18.491 1.00 0.00 WAT +ATOM 26407 H2 TIP3 6699 35.380 -1.342 -18.518 1.00 0.00 WAT +ATOM 26408 OH2 TIP3 6700 38.726 -0.228 -20.371 1.00 0.00 WAT +ATOM 26409 H1 TIP3 6700 39.688 -0.111 -20.292 1.00 0.00 WAT +ATOM 26410 H2 TIP3 6700 38.464 0.403 -21.061 1.00 0.00 WAT +ATOM 26411 OH2 TIP3 6701 37.201 1.072 -22.593 1.00 0.00 WAT +ATOM 26412 H1 TIP3 6701 36.597 0.752 -23.282 1.00 0.00 WAT +ATOM 26413 H2 TIP3 6701 38.028 1.162 -23.091 1.00 0.00 WAT +ATOM 26414 OH2 TIP3 6702 35.302 5.978 -7.589 1.00 0.00 WAT +ATOM 26415 H1 TIP3 6702 36.172 5.984 -7.136 1.00 0.00 WAT +ATOM 26416 H2 TIP3 6702 34.749 5.795 -6.823 1.00 0.00 WAT +ATOM 26417 OH2 TIP3 6703 41.410 0.454 -15.273 1.00 0.00 WAT +ATOM 26418 H1 TIP3 6703 42.147 0.043 -15.741 1.00 0.00 WAT +ATOM 26419 H2 TIP3 6703 41.610 0.238 -14.346 1.00 0.00 WAT +ATOM 26420 OH2 TIP3 6704 36.831 -2.819 -18.764 1.00 0.00 WAT +ATOM 26421 H1 TIP3 6704 36.264 -3.584 -18.564 1.00 0.00 WAT +ATOM 26422 H2 TIP3 6704 37.658 -3.243 -19.031 1.00 0.00 WAT +ATOM 26423 OH2 TIP3 6705 40.511 -0.869 -12.614 1.00 0.00 WAT +ATOM 26424 H1 TIP3 6705 39.792 -0.227 -12.737 1.00 0.00 WAT +ATOM 26425 H2 TIP3 6705 41.012 -0.473 -11.878 1.00 0.00 WAT +ATOM 26426 OH2 TIP3 6706 40.729 5.471 -20.713 1.00 0.00 WAT +ATOM 26427 H1 TIP3 6706 39.947 4.998 -21.068 1.00 0.00 WAT +ATOM 26428 H2 TIP3 6706 40.500 5.571 -19.758 1.00 0.00 WAT +ATOM 26429 OH2 TIP3 6707 41.917 5.480 -9.504 1.00 0.00 WAT +ATOM 26430 H1 TIP3 6707 41.937 5.322 -8.556 1.00 0.00 WAT +ATOM 26431 H2 TIP3 6707 42.169 6.412 -9.593 1.00 0.00 WAT +ATOM 26432 OH2 TIP3 6708 35.804 5.062 -14.893 1.00 0.00 WAT +ATOM 26433 H1 TIP3 6708 36.333 4.892 -15.690 1.00 0.00 WAT +ATOM 26434 H2 TIP3 6708 35.815 4.191 -14.465 1.00 0.00 WAT +ATOM 26435 OH2 TIP3 6709 42.873 6.910 -21.773 1.00 0.00 WAT +ATOM 26436 H1 TIP3 6709 42.593 7.789 -21.446 1.00 0.00 WAT +ATOM 26437 H2 TIP3 6709 42.139 6.357 -21.431 1.00 0.00 WAT +ATOM 26438 OH2 TIP3 6710 40.017 2.795 -7.641 1.00 0.00 WAT +ATOM 26439 H1 TIP3 6710 39.655 2.467 -8.482 1.00 0.00 WAT +ATOM 26440 H2 TIP3 6710 40.952 2.523 -7.717 1.00 0.00 WAT +ATOM 26441 OH2 TIP3 6711 38.137 8.302 -17.642 1.00 0.00 WAT +ATOM 26442 H1 TIP3 6711 38.580 9.152 -17.793 1.00 0.00 WAT +ATOM 26443 H2 TIP3 6711 37.235 8.492 -17.923 1.00 0.00 WAT +ATOM 26444 OH2 TIP3 6712 34.141 3.104 -23.077 1.00 0.00 WAT +ATOM 26445 H1 TIP3 6712 34.728 3.760 -22.658 1.00 0.00 WAT +ATOM 26446 H2 TIP3 6712 33.274 3.354 -22.705 1.00 0.00 WAT +ATOM 26447 OH2 TIP3 6713 39.943 5.979 -18.083 1.00 0.00 WAT +ATOM 26448 H1 TIP3 6713 39.660 6.887 -17.898 1.00 0.00 WAT +ATOM 26449 H2 TIP3 6713 39.252 5.466 -17.635 1.00 0.00 WAT +ATOM 26450 OH2 TIP3 6714 40.193 10.267 -11.652 1.00 0.00 WAT +ATOM 26451 H1 TIP3 6714 40.775 10.986 -11.982 1.00 0.00 WAT +ATOM 26452 H2 TIP3 6714 40.836 9.740 -11.149 1.00 0.00 WAT +ATOM 26453 OH2 TIP3 6715 38.592 11.187 -18.467 1.00 0.00 WAT +ATOM 26454 H1 TIP3 6715 37.643 11.363 -18.368 1.00 0.00 WAT +ATOM 26455 H2 TIP3 6715 38.980 12.047 -18.218 1.00 0.00 WAT +ATOM 26456 OH2 TIP3 6716 34.299 -2.033 -10.046 1.00 0.00 WAT +ATOM 26457 H1 TIP3 6716 33.373 -1.763 -10.210 1.00 0.00 WAT +ATOM 26458 H2 TIP3 6716 34.166 -2.913 -9.645 1.00 0.00 WAT +ATOM 26459 OH2 TIP3 6717 34.096 9.058 -10.765 1.00 0.00 WAT +ATOM 26460 H1 TIP3 6717 34.579 8.773 -11.560 1.00 0.00 WAT +ATOM 26461 H2 TIP3 6717 34.351 9.999 -10.733 1.00 0.00 WAT +ATOM 26462 OH2 TIP3 6718 39.939 8.372 -24.636 1.00 0.00 WAT +ATOM 26463 H1 TIP3 6718 40.291 7.596 -25.114 1.00 0.00 WAT +ATOM 26464 H2 TIP3 6718 39.566 7.944 -23.845 1.00 0.00 WAT +ATOM 26465 OH2 TIP3 6719 38.850 7.815 -21.879 1.00 0.00 WAT +ATOM 26466 H1 TIP3 6719 39.339 7.295 -21.225 1.00 0.00 WAT +ATOM 26467 H2 TIP3 6719 38.994 8.731 -21.565 1.00 0.00 WAT +ATOM 26468 OH2 TIP3 6720 35.648 5.305 -21.545 1.00 0.00 WAT +ATOM 26469 H1 TIP3 6720 34.933 5.681 -20.994 1.00 0.00 WAT +ATOM 26470 H2 TIP3 6720 36.137 6.107 -21.790 1.00 0.00 WAT +ATOM 26471 OH2 TIP3 6721 43.355 -1.801 -10.934 1.00 0.00 WAT +ATOM 26472 H1 TIP3 6721 43.868 -2.583 -10.715 1.00 0.00 WAT +ATOM 26473 H2 TIP3 6721 42.755 -2.150 -11.609 1.00 0.00 WAT +ATOM 26474 OH2 TIP3 6722 41.673 9.470 -21.371 1.00 0.00 WAT +ATOM 26475 H1 TIP3 6722 40.888 9.986 -21.119 1.00 0.00 WAT +ATOM 26476 H2 TIP3 6722 42.103 10.058 -21.995 1.00 0.00 WAT +ATOM 26477 OH2 TIP3 6723 41.368 -0.866 -19.304 1.00 0.00 WAT +ATOM 26478 H1 TIP3 6723 42.007 -0.185 -18.990 1.00 0.00 WAT +ATOM 26479 H2 TIP3 6723 41.012 -1.124 -18.435 1.00 0.00 WAT +ATOM 26480 OH2 TIP3 6724 41.676 0.134 -10.115 1.00 0.00 WAT +ATOM 26481 H1 TIP3 6724 41.861 0.575 -9.276 1.00 0.00 WAT +ATOM 26482 H2 TIP3 6724 42.338 -0.588 -10.134 1.00 0.00 WAT +ATOM 26483 OH2 TIP3 6725 41.899 -3.854 -18.062 1.00 0.00 WAT +ATOM 26484 H1 TIP3 6725 41.668 -3.024 -17.593 1.00 0.00 WAT +ATOM 26485 H2 TIP3 6725 42.677 -3.575 -18.596 1.00 0.00 WAT +ATOM 26486 OH2 TIP3 6726 38.927 10.547 -21.296 1.00 0.00 WAT +ATOM 26487 H1 TIP3 6726 38.907 11.371 -21.824 1.00 0.00 WAT +ATOM 26488 H2 TIP3 6726 38.812 10.884 -20.388 1.00 0.00 WAT +ATOM 26489 OH2 TIP3 6727 37.705 -2.749 -21.876 1.00 0.00 WAT +ATOM 26490 H1 TIP3 6727 37.688 -2.038 -21.211 1.00 0.00 WAT +ATOM 26491 H2 TIP3 6727 38.482 -3.262 -21.588 1.00 0.00 WAT +ATOM 26492 OH2 TIP3 6728 36.113 8.131 -22.762 1.00 0.00 WAT +ATOM 26493 H1 TIP3 6728 36.855 8.598 -22.342 1.00 0.00 WAT +ATOM 26494 H2 TIP3 6728 36.605 7.600 -23.408 1.00 0.00 WAT +ATOM 26495 OH2 TIP3 6729 34.264 0.312 -23.651 1.00 0.00 WAT +ATOM 26496 H1 TIP3 6729 34.350 1.251 -23.405 1.00 0.00 WAT +ATOM 26497 H2 TIP3 6729 33.378 0.279 -24.033 1.00 0.00 WAT +ATOM 26498 OH2 TIP3 6730 35.172 -4.662 -14.848 1.00 0.00 WAT +ATOM 26499 H1 TIP3 6730 34.966 -4.714 -15.801 1.00 0.00 WAT +ATOM 26500 H2 TIP3 6730 34.838 -5.519 -14.510 1.00 0.00 WAT +ATOM 26501 OH2 TIP3 6731 34.063 8.831 -18.561 1.00 0.00 WAT +ATOM 26502 H1 TIP3 6731 33.270 9.335 -18.338 1.00 0.00 WAT +ATOM 26503 H2 TIP3 6731 34.427 9.345 -19.297 1.00 0.00 WAT +ATOM 26504 OH2 TIP3 6732 33.489 11.314 -7.520 1.00 0.00 WAT +ATOM 26505 H1 TIP3 6732 34.061 11.360 -6.732 1.00 0.00 WAT +ATOM 26506 H2 TIP3 6732 32.786 10.730 -7.223 1.00 0.00 WAT +ATOM 26507 OH2 TIP3 6733 38.168 10.836 -5.681 1.00 0.00 WAT +ATOM 26508 H1 TIP3 6733 38.802 10.162 -5.386 1.00 0.00 WAT +ATOM 26509 H2 TIP3 6733 37.910 10.477 -6.540 1.00 0.00 WAT +ATOM 26510 OH2 TIP3 6734 42.319 10.027 -24.344 1.00 0.00 WAT +ATOM 26511 H1 TIP3 6734 41.480 9.523 -24.302 1.00 0.00 WAT +ATOM 26512 H2 TIP3 6734 42.938 9.280 -24.432 1.00 0.00 WAT +ATOM 26513 OH2 TIP3 6735 37.628 5.793 -24.291 1.00 0.00 WAT +ATOM 26514 H1 TIP3 6735 37.772 5.192 -23.540 1.00 0.00 WAT +ATOM 26515 H2 TIP3 6735 38.490 5.734 -24.741 1.00 0.00 WAT +ATOM 26516 OH2 TIP3 6736 40.031 5.579 -6.970 1.00 0.00 WAT +ATOM 26517 H1 TIP3 6736 39.850 5.861 -7.880 1.00 0.00 WAT +ATOM 26518 H2 TIP3 6736 40.180 4.616 -7.080 1.00 0.00 WAT +ATOM 26519 OH2 TIP3 6737 42.617 7.110 -24.741 1.00 0.00 WAT +ATOM 26520 H1 TIP3 6737 42.757 7.198 -23.781 1.00 0.00 WAT +ATOM 26521 H2 TIP3 6737 42.417 6.161 -24.811 1.00 0.00 WAT +ATOM 26522 OH2 TIP3 6738 38.699 3.854 -21.983 1.00 0.00 WAT +ATOM 26523 H1 TIP3 6738 38.084 3.359 -21.421 1.00 0.00 WAT +ATOM 26524 H2 TIP3 6738 39.013 3.149 -22.584 1.00 0.00 WAT +ATOM 26525 OH2 TIP3 6739 37.965 1.675 -9.644 1.00 0.00 WAT +ATOM 26526 H1 TIP3 6739 37.363 2.430 -9.517 1.00 0.00 WAT +ATOM 26527 H2 TIP3 6739 38.543 1.983 -10.363 1.00 0.00 WAT +ATOM 26528 OH2 TIP3 6740 39.796 1.869 -23.665 1.00 0.00 WAT +ATOM 26529 H1 TIP3 6740 39.691 1.912 -24.631 1.00 0.00 WAT +ATOM 26530 H2 TIP3 6740 40.754 1.988 -23.565 1.00 0.00 WAT +ATOM 26531 OH2 TIP3 6741 42.816 4.134 -6.070 1.00 0.00 WAT +ATOM 26532 H1 TIP3 6741 43.585 3.821 -6.554 1.00 0.00 WAT +ATOM 26533 H2 TIP3 6741 42.665 3.367 -5.489 1.00 0.00 WAT +ATOM 26534 OH2 TIP3 6742 38.596 -1.047 -8.523 1.00 0.00 WAT +ATOM 26535 H1 TIP3 6742 38.593 -1.716 -9.230 1.00 0.00 WAT +ATOM 26536 H2 TIP3 6742 38.373 -0.241 -9.017 1.00 0.00 WAT +ATOM 26537 OH2 TIP3 6743 38.865 -2.611 -11.105 1.00 0.00 WAT +ATOM 26538 H1 TIP3 6743 39.350 -2.053 -11.747 1.00 0.00 WAT +ATOM 26539 H2 TIP3 6743 37.946 -2.593 -11.446 1.00 0.00 WAT +ATOM 26540 OH2 TIP3 6744 40.571 2.807 -10.864 1.00 0.00 WAT +ATOM 26541 H1 TIP3 6744 41.345 2.788 -11.444 1.00 0.00 WAT +ATOM 26542 H2 TIP3 6744 40.309 3.738 -10.927 1.00 0.00 WAT +ATOM 26543 OH2 TIP3 6745 36.629 0.787 -6.667 1.00 0.00 WAT +ATOM 26544 H1 TIP3 6745 36.090 -0.005 -6.853 1.00 0.00 WAT +ATOM 26545 H2 TIP3 6745 37.425 0.592 -7.179 1.00 0.00 WAT +ATOM 26546 OH2 TIP3 6746 39.705 -5.236 -10.748 1.00 0.00 WAT +ATOM 26547 H1 TIP3 6746 39.462 -4.302 -10.923 1.00 0.00 WAT +ATOM 26548 H2 TIP3 6746 39.046 -5.703 -11.299 1.00 0.00 WAT +ATOM 26549 OH2 TIP3 6747 41.017 -0.793 -7.007 1.00 0.00 WAT +ATOM 26550 H1 TIP3 6747 40.622 -1.045 -6.159 1.00 0.00 WAT +ATOM 26551 H2 TIP3 6747 40.274 -0.999 -7.609 1.00 0.00 WAT +ATOM 26552 OH2 TIP3 6748 35.538 -1.782 -6.889 1.00 0.00 WAT +ATOM 26553 H1 TIP3 6748 35.259 -2.300 -7.659 1.00 0.00 WAT +ATOM 26554 H2 TIP3 6748 34.885 -2.074 -6.231 1.00 0.00 WAT +ATOM 26555 OH2 TIP3 6749 39.455 -5.794 -7.923 1.00 0.00 WAT +ATOM 26556 H1 TIP3 6749 40.080 -6.531 -7.922 1.00 0.00 WAT +ATOM 26557 H2 TIP3 6749 39.383 -5.617 -8.882 1.00 0.00 WAT +ATOM 26558 OH2 TIP3 6750 40.351 -3.973 -5.981 1.00 0.00 WAT +ATOM 26559 H1 TIP3 6750 40.084 -4.529 -6.741 1.00 0.00 WAT +ATOM 26560 H2 TIP3 6750 39.706 -3.250 -6.029 1.00 0.00 WAT +ATOM 26561 OH2 TIP3 6751 39.563 13.079 -22.585 1.00 0.00 WAT +ATOM 26562 H1 TIP3 6751 40.523 13.158 -22.506 1.00 0.00 WAT +ATOM 26563 H2 TIP3 6751 39.408 13.575 -23.401 1.00 0.00 WAT +ATOM 26564 OH2 TIP3 6752 33.341 7.527 -23.091 1.00 0.00 WAT +ATOM 26565 H1 TIP3 6752 34.295 7.687 -22.931 1.00 0.00 WAT +ATOM 26566 H2 TIP3 6752 33.360 6.717 -23.640 1.00 0.00 WAT +ATOM 26567 OH2 TIP3 6753 32.350 12.694 -18.327 1.00 0.00 WAT +ATOM 26568 H1 TIP3 6753 31.620 12.331 -18.865 1.00 0.00 WAT +ATOM 26569 H2 TIP3 6753 32.441 12.005 -17.637 1.00 0.00 WAT +ATOM 26570 OH2 TIP3 6754 32.727 10.735 -16.357 1.00 0.00 WAT +ATOM 26571 H1 TIP3 6754 32.417 9.863 -16.062 1.00 0.00 WAT +ATOM 26572 H2 TIP3 6754 33.052 11.082 -15.511 1.00 0.00 WAT +ATOM 26573 OH2 TIP3 6755 32.702 3.984 -13.825 1.00 0.00 WAT +ATOM 26574 H1 TIP3 6755 32.918 3.963 -14.767 1.00 0.00 WAT +ATOM 26575 H2 TIP3 6755 33.551 3.733 -13.414 1.00 0.00 WAT +ATOM 26576 OH2 TIP3 6756 33.473 -2.193 -14.733 1.00 0.00 WAT +ATOM 26577 H1 TIP3 6756 33.873 -3.077 -14.641 1.00 0.00 WAT +ATOM 26578 H2 TIP3 6756 34.199 -1.634 -14.396 1.00 0.00 WAT +ATOM 26579 OH2 TIP3 6757 31.997 0.664 -13.537 1.00 0.00 WAT +ATOM 26580 H1 TIP3 6757 32.555 0.424 -14.289 1.00 0.00 WAT +ATOM 26581 H2 TIP3 6757 32.351 1.534 -13.313 1.00 0.00 WAT +ATOM 26582 OH2 TIP3 6758 32.527 -3.247 -19.659 1.00 0.00 WAT +ATOM 26583 H1 TIP3 6758 31.572 -3.185 -19.832 1.00 0.00 WAT +ATOM 26584 H2 TIP3 6758 32.914 -2.620 -20.301 1.00 0.00 WAT +ATOM 26585 OH2 TIP3 6759 32.549 -4.307 -11.468 1.00 0.00 WAT +ATOM 26586 H1 TIP3 6759 31.871 -4.569 -10.824 1.00 0.00 WAT +ATOM 26587 H2 TIP3 6759 31.996 -3.923 -12.168 1.00 0.00 WAT +ATOM 26588 OH2 TIP3 6760 37.366 9.719 -11.085 1.00 0.00 WAT +ATOM 26589 H1 TIP3 6760 37.164 10.596 -11.463 1.00 0.00 WAT +ATOM 26590 H2 TIP3 6760 38.333 9.721 -11.249 1.00 0.00 WAT +ATOM 26591 OH2 TIP3 6761 42.185 11.374 -8.226 1.00 0.00 WAT +ATOM 26592 H1 TIP3 6761 42.054 10.989 -7.343 1.00 0.00 WAT +ATOM 26593 H2 TIP3 6761 43.139 11.571 -8.178 1.00 0.00 WAT +ATOM 26594 OH2 TIP3 6762 34.656 12.532 -10.840 1.00 0.00 WAT +ATOM 26595 H1 TIP3 6762 34.172 13.261 -11.273 1.00 0.00 WAT +ATOM 26596 H2 TIP3 6762 34.453 12.740 -9.915 1.00 0.00 WAT +ATOM 26597 OH2 TIP3 6763 37.230 12.382 -12.269 1.00 0.00 WAT +ATOM 26598 H1 TIP3 6763 36.459 12.725 -11.788 1.00 0.00 WAT +ATOM 26599 H2 TIP3 6763 37.388 13.091 -12.926 1.00 0.00 WAT +ATOM 26600 OH2 TIP3 6764 41.921 12.280 -12.659 1.00 0.00 WAT +ATOM 26601 H1 TIP3 6764 41.810 12.730 -13.511 1.00 0.00 WAT +ATOM 26602 H2 TIP3 6764 42.629 12.798 -12.253 1.00 0.00 WAT +ATOM 26603 OH2 TIP3 6765 34.337 11.415 -13.889 1.00 0.00 WAT +ATOM 26604 H1 TIP3 6765 34.540 11.205 -12.970 1.00 0.00 WAT +ATOM 26605 H2 TIP3 6765 35.117 11.045 -14.359 1.00 0.00 WAT +ATOM 26606 OH2 TIP3 6766 36.362 10.249 -15.390 1.00 0.00 WAT +ATOM 26607 H1 TIP3 6766 36.249 9.301 -15.179 1.00 0.00 WAT +ATOM 26608 H2 TIP3 6766 37.293 10.401 -15.123 1.00 0.00 WAT +ATOM 26609 OH2 TIP3 6767 39.086 10.696 -14.537 1.00 0.00 WAT +ATOM 26610 H1 TIP3 6767 39.355 9.790 -14.763 1.00 0.00 WAT +ATOM 26611 H2 TIP3 6767 39.229 10.694 -13.577 1.00 0.00 WAT +ATOM 26612 OH2 TIP3 6768 42.649 -3.712 -15.218 1.00 0.00 WAT +ATOM 26613 H1 TIP3 6768 41.823 -4.214 -15.097 1.00 0.00 WAT +ATOM 26614 H2 TIP3 6768 42.991 -4.114 -16.024 1.00 0.00 WAT +ATOM 26615 OH2 TIP3 6769 34.818 -4.689 -17.705 1.00 0.00 WAT +ATOM 26616 H1 TIP3 6769 33.946 -4.846 -18.118 1.00 0.00 WAT +ATOM 26617 H2 TIP3 6769 35.229 -5.569 -17.807 1.00 0.00 WAT +ATOM 26618 OH2 TIP3 6770 33.575 -5.205 -21.812 1.00 0.00 WAT +ATOM 26619 H1 TIP3 6770 34.108 -4.552 -22.303 1.00 0.00 WAT +ATOM 26620 H2 TIP3 6770 33.224 -4.673 -21.079 1.00 0.00 WAT +ATOM 26621 OH2 TIP3 6771 39.289 -4.827 -17.783 1.00 0.00 WAT +ATOM 26622 H1 TIP3 6771 40.228 -4.579 -17.906 1.00 0.00 WAT +ATOM 26623 H2 TIP3 6771 39.275 -4.983 -16.832 1.00 0.00 WAT +ATOM 26624 OH2 TIP3 6772 33.807 10.744 -20.637 1.00 0.00 WAT +ATOM 26625 H1 TIP3 6772 33.163 10.621 -21.351 1.00 0.00 WAT +ATOM 26626 H2 TIP3 6772 33.780 11.707 -20.542 1.00 0.00 WAT +ATOM 26627 OH2 TIP3 6773 35.334 -3.381 -23.373 1.00 0.00 WAT +ATOM 26628 H1 TIP3 6773 35.936 -3.952 -23.879 1.00 0.00 WAT +ATOM 26629 H2 TIP3 6773 35.932 -3.052 -22.675 1.00 0.00 WAT +ATOM 26630 OH2 TIP3 6774 40.638 -3.160 -20.823 1.00 0.00 WAT +ATOM 26631 H1 TIP3 6774 40.707 -3.842 -20.134 1.00 0.00 WAT +ATOM 26632 H2 TIP3 6774 40.597 -2.343 -20.295 1.00 0.00 WAT +ATOM 26633 OH2 TIP3 6775 42.626 12.397 -22.550 1.00 0.00 WAT +ATOM 26634 H1 TIP3 6775 43.513 12.767 -22.714 1.00 0.00 WAT +ATOM 26635 H2 TIP3 6775 42.497 11.804 -23.311 1.00 0.00 WAT +ATOM 26636 OH2 TIP3 6776 34.601 -4.455 -8.185 1.00 0.00 WAT +ATOM 26637 H1 TIP3 6776 34.124 -5.222 -7.812 1.00 0.00 WAT +ATOM 26638 H2 TIP3 6776 35.492 -4.579 -7.827 1.00 0.00 WAT +ATOM 26639 OH2 TIP3 6777 37.047 -5.058 -6.360 1.00 0.00 WAT +ATOM 26640 H1 TIP3 6777 37.837 -5.424 -6.803 1.00 0.00 WAT +ATOM 26641 H2 TIP3 6777 36.615 -5.860 -6.036 1.00 0.00 WAT +ATOM 26642 OH2 TIP3 6778 35.249 11.725 -23.835 1.00 0.00 WAT +ATOM 26643 H1 TIP3 6778 34.999 11.959 -22.930 1.00 0.00 WAT +ATOM 26644 H2 TIP3 6778 35.991 11.113 -23.696 1.00 0.00 WAT +ATOM 26645 OH2 TIP3 6779 -31.582 22.926 -17.430 1.00 0.00 WAT +ATOM 26646 H1 TIP3 6779 -31.632 23.892 -17.349 1.00 0.00 WAT +ATOM 26647 H2 TIP3 6779 -32.367 22.742 -17.966 1.00 0.00 WAT +ATOM 26648 OH2 TIP3 6780 -32.688 22.339 -14.342 1.00 0.00 WAT +ATOM 26649 H1 TIP3 6780 -32.750 21.778 -13.553 1.00 0.00 WAT +ATOM 26650 H2 TIP3 6780 -33.011 21.734 -15.027 1.00 0.00 WAT +ATOM 26651 OH2 TIP3 6781 -40.246 21.921 -12.734 1.00 0.00 WAT +ATOM 26652 H1 TIP3 6781 -40.342 21.203 -12.083 1.00 0.00 WAT +ATOM 26653 H2 TIP3 6781 -39.611 22.497 -12.288 1.00 0.00 WAT +ATOM 26654 OH2 TIP3 6782 -28.982 25.033 -15.995 1.00 0.00 WAT +ATOM 26655 H1 TIP3 6782 -29.478 24.368 -15.498 1.00 0.00 WAT +ATOM 26656 H2 TIP3 6782 -28.914 25.750 -15.351 1.00 0.00 WAT +ATOM 26657 OH2 TIP3 6783 -39.589 26.558 -14.207 1.00 0.00 WAT +ATOM 26658 H1 TIP3 6783 -39.880 25.656 -14.450 1.00 0.00 WAT +ATOM 26659 H2 TIP3 6783 -38.659 26.394 -13.994 1.00 0.00 WAT +ATOM 26660 OH2 TIP3 6784 -41.745 21.017 -19.440 1.00 0.00 WAT +ATOM 26661 H1 TIP3 6784 -42.189 21.659 -18.858 1.00 0.00 WAT +ATOM 26662 H2 TIP3 6784 -42.181 20.210 -19.132 1.00 0.00 WAT +ATOM 26663 OH2 TIP3 6785 -42.123 22.410 -16.982 1.00 0.00 WAT +ATOM 26664 H1 TIP3 6785 -41.880 21.689 -16.374 1.00 0.00 WAT +ATOM 26665 H2 TIP3 6785 -41.266 22.732 -17.279 1.00 0.00 WAT +ATOM 26666 OH2 TIP3 6786 -32.010 30.434 -15.481 1.00 0.00 WAT +ATOM 26667 H1 TIP3 6786 -31.411 29.717 -15.764 1.00 0.00 WAT +ATOM 26668 H2 TIP3 6786 -32.296 30.132 -14.610 1.00 0.00 WAT +ATOM 26669 OH2 TIP3 6787 -34.254 24.850 -13.784 1.00 0.00 WAT +ATOM 26670 H1 TIP3 6787 -33.935 24.140 -14.366 1.00 0.00 WAT +ATOM 26671 H2 TIP3 6787 -33.443 24.996 -13.261 1.00 0.00 WAT +ATOM 26672 OH2 TIP3 6788 -25.610 16.293 -13.132 1.00 0.00 WAT +ATOM 26673 H1 TIP3 6788 -25.253 16.635 -12.300 1.00 0.00 WAT +ATOM 26674 H2 TIP3 6788 -24.934 16.582 -13.762 1.00 0.00 WAT +ATOM 26675 OH2 TIP3 6789 -30.942 19.197 -13.269 1.00 0.00 WAT +ATOM 26676 H1 TIP3 6789 -30.829 18.234 -13.194 1.00 0.00 WAT +ATOM 26677 H2 TIP3 6789 -31.070 19.300 -14.226 1.00 0.00 WAT +ATOM 26678 OH2 TIP3 6790 -37.979 17.199 -16.202 1.00 0.00 WAT +ATOM 26679 H1 TIP3 6790 -37.858 18.057 -16.655 1.00 0.00 WAT +ATOM 26680 H2 TIP3 6790 -38.344 16.666 -16.935 1.00 0.00 WAT +ATOM 26681 OH2 TIP3 6791 -30.143 17.365 -17.879 1.00 0.00 WAT +ATOM 26682 H1 TIP3 6791 -29.571 16.933 -17.208 1.00 0.00 WAT +ATOM 26683 H2 TIP3 6791 -29.478 17.811 -18.423 1.00 0.00 WAT +ATOM 26684 OH2 TIP3 6792 -41.332 20.002 -15.654 1.00 0.00 WAT +ATOM 26685 H1 TIP3 6792 -40.779 19.521 -15.016 1.00 0.00 WAT +ATOM 26686 H2 TIP3 6792 -41.252 19.429 -16.434 1.00 0.00 WAT +ATOM 26687 OH2 TIP3 6793 -35.909 21.312 -16.232 1.00 0.00 WAT +ATOM 26688 H1 TIP3 6793 -35.220 20.751 -15.826 1.00 0.00 WAT +ATOM 26689 H2 TIP3 6793 -36.432 20.650 -16.720 1.00 0.00 WAT +ATOM 26690 OH2 TIP3 6794 -24.637 17.906 -10.679 1.00 0.00 WAT +ATOM 26691 H1 TIP3 6794 -25.423 18.441 -10.880 1.00 0.00 WAT +ATOM 26692 H2 TIP3 6794 -24.808 17.654 -9.758 1.00 0.00 WAT +ATOM 26693 OH2 TIP3 6795 -39.173 16.028 -12.029 1.00 0.00 WAT +ATOM 26694 H1 TIP3 6795 -39.644 16.454 -12.759 1.00 0.00 WAT +ATOM 26695 H2 TIP3 6795 -39.804 16.161 -11.298 1.00 0.00 WAT +ATOM 26696 OH2 TIP3 6796 -31.683 25.762 -18.619 1.00 0.00 WAT +ATOM 26697 H1 TIP3 6796 -32.000 25.523 -19.495 1.00 0.00 WAT +ATOM 26698 H2 TIP3 6796 -32.151 26.601 -18.450 1.00 0.00 WAT +ATOM 26699 OH2 TIP3 6797 -36.246 23.865 -11.901 1.00 0.00 WAT +ATOM 26700 H1 TIP3 6797 -36.987 24.451 -11.636 1.00 0.00 WAT +ATOM 26701 H2 TIP3 6797 -35.643 24.487 -12.347 1.00 0.00 WAT +ATOM 26702 OH2 TIP3 6798 -28.298 16.608 -15.850 1.00 0.00 WAT +ATOM 26703 H1 TIP3 6798 -28.706 15.996 -15.224 1.00 0.00 WAT +ATOM 26704 H2 TIP3 6798 -27.801 17.196 -15.254 1.00 0.00 WAT +ATOM 26705 OH2 TIP3 6799 -39.570 18.077 -14.128 1.00 0.00 WAT +ATOM 26706 H1 TIP3 6799 -38.928 18.642 -13.651 1.00 0.00 WAT +ATOM 26707 H2 TIP3 6799 -38.986 17.688 -14.815 1.00 0.00 WAT +ATOM 26708 OH2 TIP3 6800 -38.269 25.732 -11.175 1.00 0.00 WAT +ATOM 26709 H1 TIP3 6800 -38.300 26.654 -11.491 1.00 0.00 WAT +ATOM 26710 H2 TIP3 6800 -39.158 25.666 -10.775 1.00 0.00 WAT +ATOM 26711 OH2 TIP3 6801 -41.836 25.354 -20.255 1.00 0.00 WAT +ATOM 26712 H1 TIP3 6801 -42.631 25.562 -20.786 1.00 0.00 WAT +ATOM 26713 H2 TIP3 6801 -41.892 25.999 -19.528 1.00 0.00 WAT +ATOM 26714 OH2 TIP3 6802 -28.420 26.837 -13.564 1.00 0.00 WAT +ATOM 26715 H1 TIP3 6802 -29.391 26.930 -13.473 1.00 0.00 WAT +ATOM 26716 H2 TIP3 6802 -28.199 27.731 -13.893 1.00 0.00 WAT +ATOM 26717 OH2 TIP3 6803 -28.153 15.819 -11.974 1.00 0.00 WAT +ATOM 26718 H1 TIP3 6803 -28.904 16.199 -12.465 1.00 0.00 WAT +ATOM 26719 H2 TIP3 6803 -27.407 15.955 -12.591 1.00 0.00 WAT +ATOM 26720 OH2 TIP3 6804 -35.051 13.479 -14.941 1.00 0.00 WAT +ATOM 26721 H1 TIP3 6804 -35.271 12.529 -14.987 1.00 0.00 WAT +ATOM 26722 H2 TIP3 6804 -35.876 13.852 -14.564 1.00 0.00 WAT +ATOM 26723 OH2 TIP3 6805 -30.163 28.803 -16.919 1.00 0.00 WAT +ATOM 26724 H1 TIP3 6805 -29.682 28.045 -17.304 1.00 0.00 WAT +ATOM 26725 H2 TIP3 6805 -29.528 29.530 -17.072 1.00 0.00 WAT +ATOM 26726 OH2 TIP3 6806 -28.734 26.672 -18.332 1.00 0.00 WAT +ATOM 26727 H1 TIP3 6806 -29.251 26.253 -19.036 1.00 0.00 WAT +ATOM 26728 H2 TIP3 6806 -28.830 26.022 -17.611 1.00 0.00 WAT +ATOM 26729 OH2 TIP3 6807 -27.188 25.506 -9.837 1.00 0.00 WAT +ATOM 26730 H1 TIP3 6807 -27.338 24.893 -10.572 1.00 0.00 WAT +ATOM 26731 H2 TIP3 6807 -27.153 26.376 -10.288 1.00 0.00 WAT +ATOM 26732 OH2 TIP3 6808 -32.956 22.423 -20.150 1.00 0.00 WAT +ATOM 26733 H1 TIP3 6808 -33.623 23.030 -20.523 1.00 0.00 WAT +ATOM 26734 H2 TIP3 6808 -32.248 22.474 -20.812 1.00 0.00 WAT +ATOM 26735 OH2 TIP3 6809 -32.666 20.610 -23.094 1.00 0.00 WAT +ATOM 26736 H1 TIP3 6809 -31.969 20.926 -22.491 1.00 0.00 WAT +ATOM 26737 H2 TIP3 6809 -32.154 20.032 -23.678 1.00 0.00 WAT +ATOM 26738 OH2 TIP3 6810 -25.249 21.856 -12.095 1.00 0.00 WAT +ATOM 26739 H1 TIP3 6810 -26.081 22.360 -12.020 1.00 0.00 WAT +ATOM 26740 H2 TIP3 6810 -25.038 21.933 -13.032 1.00 0.00 WAT +ATOM 26741 OH2 TIP3 6811 -29.427 22.432 -19.079 1.00 0.00 WAT +ATOM 26742 H1 TIP3 6811 -30.128 22.651 -18.422 1.00 0.00 WAT +ATOM 26743 H2 TIP3 6811 -28.867 21.834 -18.555 1.00 0.00 WAT +ATOM 26744 OH2 TIP3 6812 -29.570 20.981 -10.252 1.00 0.00 WAT +ATOM 26745 H1 TIP3 6812 -29.574 21.793 -9.721 1.00 0.00 WAT +ATOM 26746 H2 TIP3 6812 -30.267 21.216 -10.893 1.00 0.00 WAT +ATOM 26747 OH2 TIP3 6813 -37.811 23.210 -17.326 1.00 0.00 WAT +ATOM 26748 H1 TIP3 6813 -38.155 22.763 -18.123 1.00 0.00 WAT +ATOM 26749 H2 TIP3 6813 -37.189 22.548 -16.977 1.00 0.00 WAT +ATOM 26750 OH2 TIP3 6814 -36.468 26.603 -14.565 1.00 0.00 WAT +ATOM 26751 H1 TIP3 6814 -36.594 26.217 -15.442 1.00 0.00 WAT +ATOM 26752 H2 TIP3 6814 -35.675 26.128 -14.249 1.00 0.00 WAT +ATOM 26753 OH2 TIP3 6815 -37.258 22.013 -13.829 1.00 0.00 WAT +ATOM 26754 H1 TIP3 6815 -36.678 22.056 -14.612 1.00 0.00 WAT +ATOM 26755 H2 TIP3 6815 -36.874 22.682 -13.234 1.00 0.00 WAT +ATOM 26756 OH2 TIP3 6816 -31.205 27.475 -13.223 1.00 0.00 WAT +ATOM 26757 H1 TIP3 6816 -31.292 28.190 -12.568 1.00 0.00 WAT +ATOM 26758 H2 TIP3 6816 -31.542 26.695 -12.749 1.00 0.00 WAT +ATOM 26759 OH2 TIP3 6817 -36.421 26.317 -8.980 1.00 0.00 WAT +ATOM 26760 H1 TIP3 6817 -36.939 26.984 -8.493 1.00 0.00 WAT +ATOM 26761 H2 TIP3 6817 -37.062 26.054 -9.668 1.00 0.00 WAT +ATOM 26762 OH2 TIP3 6818 -30.486 21.871 -21.624 1.00 0.00 WAT +ATOM 26763 H1 TIP3 6818 -30.016 22.153 -20.812 1.00 0.00 WAT +ATOM 26764 H2 TIP3 6818 -29.993 22.384 -22.311 1.00 0.00 WAT +ATOM 26765 OH2 TIP3 6819 -39.556 22.662 -9.826 1.00 0.00 WAT +ATOM 26766 H1 TIP3 6819 -39.483 23.266 -9.066 1.00 0.00 WAT +ATOM 26767 H2 TIP3 6819 -40.526 22.624 -9.936 1.00 0.00 WAT +ATOM 26768 OH2 TIP3 6820 -33.002 28.472 -18.055 1.00 0.00 WAT +ATOM 26769 H1 TIP3 6820 -32.594 28.791 -17.242 1.00 0.00 WAT +ATOM 26770 H2 TIP3 6820 -33.524 29.235 -18.347 1.00 0.00 WAT +ATOM 26771 OH2 TIP3 6821 -38.348 28.461 -8.142 1.00 0.00 WAT +ATOM 26772 H1 TIP3 6821 -38.437 28.526 -9.109 1.00 0.00 WAT +ATOM 26773 H2 TIP3 6821 -39.265 28.300 -7.853 1.00 0.00 WAT +ATOM 26774 OH2 TIP3 6822 -27.054 13.616 -22.135 1.00 0.00 WAT +ATOM 26775 H1 TIP3 6822 -27.933 13.701 -21.721 1.00 0.00 WAT +ATOM 26776 H2 TIP3 6822 -26.707 14.518 -22.058 1.00 0.00 WAT +ATOM 26777 OH2 TIP3 6823 -38.910 21.913 -19.799 1.00 0.00 WAT +ATOM 26778 H1 TIP3 6823 -39.177 22.684 -20.324 1.00 0.00 WAT +ATOM 26779 H2 TIP3 6823 -39.706 21.353 -19.870 1.00 0.00 WAT +ATOM 26780 OH2 TIP3 6824 -25.672 27.740 -23.565 1.00 0.00 WAT +ATOM 26781 H1 TIP3 6824 -25.515 28.683 -23.355 1.00 0.00 WAT +ATOM 26782 H2 TIP3 6824 -24.800 27.348 -23.372 1.00 0.00 WAT +ATOM 26783 OH2 TIP3 6825 -42.644 24.736 -11.274 1.00 0.00 WAT +ATOM 26784 H1 TIP3 6825 -43.000 24.473 -12.138 1.00 0.00 WAT +ATOM 26785 H2 TIP3 6825 -43.059 24.071 -10.696 1.00 0.00 WAT +ATOM 26786 OH2 TIP3 6826 -42.835 27.577 -14.291 1.00 0.00 WAT +ATOM 26787 H1 TIP3 6826 -42.009 27.114 -14.100 1.00 0.00 WAT +ATOM 26788 H2 TIP3 6826 -42.998 28.046 -13.464 1.00 0.00 WAT +ATOM 26789 OH2 TIP3 6827 -24.433 28.142 -8.329 1.00 0.00 WAT +ATOM 26790 H1 TIP3 6827 -24.555 27.190 -8.468 1.00 0.00 WAT +ATOM 26791 H2 TIP3 6827 -25.339 28.406 -8.050 1.00 0.00 WAT +ATOM 26792 OH2 TIP3 6828 -33.777 27.370 -9.543 1.00 0.00 WAT +ATOM 26793 H1 TIP3 6828 -33.700 28.193 -9.017 1.00 0.00 WAT +ATOM 26794 H2 TIP3 6828 -34.682 27.077 -9.315 1.00 0.00 WAT +ATOM 26795 OH2 TIP3 6829 -33.475 31.187 -19.570 1.00 0.00 WAT +ATOM 26796 H1 TIP3 6829 -33.485 31.286 -20.538 1.00 0.00 WAT +ATOM 26797 H2 TIP3 6829 -33.436 32.105 -19.258 1.00 0.00 WAT +ATOM 26798 OH2 TIP3 6830 -39.763 30.310 -17.938 1.00 0.00 WAT +ATOM 26799 H1 TIP3 6830 -39.529 29.903 -17.078 1.00 0.00 WAT +ATOM 26800 H2 TIP3 6830 -40.565 29.803 -18.144 1.00 0.00 WAT +ATOM 26801 OH2 TIP3 6831 -30.190 30.610 -22.385 1.00 0.00 WAT +ATOM 26802 H1 TIP3 6831 -29.610 29.962 -22.832 1.00 0.00 WAT +ATOM 26803 H2 TIP3 6831 -30.243 30.230 -21.485 1.00 0.00 WAT +ATOM 26804 OH2 TIP3 6832 -30.799 30.031 -19.581 1.00 0.00 WAT +ATOM 26805 H1 TIP3 6832 -31.752 30.185 -19.451 1.00 0.00 WAT +ATOM 26806 H2 TIP3 6832 -30.659 29.310 -18.944 1.00 0.00 WAT +ATOM 26807 OH2 TIP3 6833 -27.710 19.539 -7.880 1.00 0.00 WAT +ATOM 26808 H1 TIP3 6833 -28.153 19.869 -8.673 1.00 0.00 WAT +ATOM 26809 H2 TIP3 6833 -27.548 18.604 -8.134 1.00 0.00 WAT +ATOM 26810 OH2 TIP3 6834 -40.710 26.154 -9.785 1.00 0.00 WAT +ATOM 26811 H1 TIP3 6834 -40.428 25.594 -9.038 1.00 0.00 WAT +ATOM 26812 H2 TIP3 6834 -41.460 25.652 -10.173 1.00 0.00 WAT +ATOM 26813 OH2 TIP3 6835 -37.478 14.649 -14.038 1.00 0.00 WAT +ATOM 26814 H1 TIP3 6835 -38.303 14.532 -14.544 1.00 0.00 WAT +ATOM 26815 H2 TIP3 6835 -37.749 15.353 -13.428 1.00 0.00 WAT +ATOM 26816 OH2 TIP3 6836 -33.078 14.198 -10.359 1.00 0.00 WAT +ATOM 26817 H1 TIP3 6836 -32.569 13.647 -9.731 1.00 0.00 WAT +ATOM 26818 H2 TIP3 6836 -33.987 13.858 -10.252 1.00 0.00 WAT +ATOM 26819 OH2 TIP3 6837 -29.905 17.961 -9.872 1.00 0.00 WAT +ATOM 26820 H1 TIP3 6837 -30.496 17.792 -9.117 1.00 0.00 WAT +ATOM 26821 H2 TIP3 6837 -29.983 18.917 -10.013 1.00 0.00 WAT +ATOM 26822 OH2 TIP3 6838 -28.931 22.934 -23.616 1.00 0.00 WAT +ATOM 26823 H1 TIP3 6838 -29.142 22.775 -24.555 1.00 0.00 WAT +ATOM 26824 H2 TIP3 6838 -27.998 23.204 -23.681 1.00 0.00 WAT +ATOM 26825 OH2 TIP3 6839 -33.299 16.720 -23.115 1.00 0.00 WAT +ATOM 26826 H1 TIP3 6839 -33.789 16.580 -22.290 1.00 0.00 WAT +ATOM 26827 H2 TIP3 6839 -33.700 16.035 -23.677 1.00 0.00 WAT +ATOM 26828 OH2 TIP3 6840 -37.593 19.429 -12.612 1.00 0.00 WAT +ATOM 26829 H1 TIP3 6840 -38.231 19.512 -11.882 1.00 0.00 WAT +ATOM 26830 H2 TIP3 6840 -37.572 20.337 -12.981 1.00 0.00 WAT +ATOM 26831 OH2 TIP3 6841 -37.694 19.489 -17.749 1.00 0.00 WAT +ATOM 26832 H1 TIP3 6841 -38.654 19.435 -17.919 1.00 0.00 WAT +ATOM 26833 H2 TIP3 6841 -37.349 19.310 -18.644 1.00 0.00 WAT +ATOM 26834 OH2 TIP3 6842 -32.066 20.069 -18.948 1.00 0.00 WAT +ATOM 26835 H1 TIP3 6842 -32.485 20.885 -19.299 1.00 0.00 WAT +ATOM 26836 H2 TIP3 6842 -31.394 19.896 -19.628 1.00 0.00 WAT +ATOM 26837 OH2 TIP3 6843 -32.824 20.231 -7.566 1.00 0.00 WAT +ATOM 26838 H1 TIP3 6843 -33.376 19.492 -7.240 1.00 0.00 WAT +ATOM 26839 H2 TIP3 6843 -31.965 20.034 -7.153 1.00 0.00 WAT +ATOM 26840 OH2 TIP3 6844 -31.173 19.472 -16.191 1.00 0.00 WAT +ATOM 26841 H1 TIP3 6844 -31.501 20.028 -16.925 1.00 0.00 WAT +ATOM 26842 H2 TIP3 6844 -30.986 18.649 -16.686 1.00 0.00 WAT +ATOM 26843 OH2 TIP3 6845 -40.171 19.556 -10.806 1.00 0.00 WAT +ATOM 26844 H1 TIP3 6845 -40.014 19.957 -9.944 1.00 0.00 WAT +ATOM 26845 H2 TIP3 6845 -40.543 18.694 -10.550 1.00 0.00 WAT +ATOM 26846 OH2 TIP3 6846 -36.866 17.179 -24.200 1.00 0.00 WAT +ATOM 26847 H1 TIP3 6846 -37.229 16.815 -23.368 1.00 0.00 WAT +ATOM 26848 H2 TIP3 6846 -37.658 17.311 -24.732 1.00 0.00 WAT +ATOM 26849 OH2 TIP3 6847 -43.125 17.106 -17.202 1.00 0.00 WAT +ATOM 26850 H1 TIP3 6847 -43.137 16.969 -16.237 1.00 0.00 WAT +ATOM 26851 H2 TIP3 6847 -42.735 16.292 -17.519 1.00 0.00 WAT +ATOM 26852 OH2 TIP3 6848 -42.144 17.763 -21.253 1.00 0.00 WAT +ATOM 26853 H1 TIP3 6848 -41.504 17.926 -21.973 1.00 0.00 WAT +ATOM 26854 H2 TIP3 6848 -42.980 17.909 -21.709 1.00 0.00 WAT +ATOM 26855 OH2 TIP3 6849 -32.061 21.133 -11.703 1.00 0.00 WAT +ATOM 26856 H1 TIP3 6849 -31.662 20.402 -12.229 1.00 0.00 WAT +ATOM 26857 H2 TIP3 6849 -32.466 20.647 -10.971 1.00 0.00 WAT +ATOM 26858 OH2 TIP3 6850 -34.901 17.104 -16.701 1.00 0.00 WAT +ATOM 26859 H1 TIP3 6850 -35.848 17.037 -16.485 1.00 0.00 WAT +ATOM 26860 H2 TIP3 6850 -34.493 16.867 -15.851 1.00 0.00 WAT +ATOM 26861 OH2 TIP3 6851 -40.368 18.349 -18.107 1.00 0.00 WAT +ATOM 26862 H1 TIP3 6851 -41.266 18.330 -18.458 1.00 0.00 WAT +ATOM 26863 H2 TIP3 6851 -40.005 17.510 -18.448 1.00 0.00 WAT +ATOM 26864 OH2 TIP3 6852 -36.710 18.617 -20.374 1.00 0.00 WAT +ATOM 26865 H1 TIP3 6852 -35.746 18.723 -20.299 1.00 0.00 WAT +ATOM 26866 H2 TIP3 6852 -36.965 19.261 -21.057 1.00 0.00 WAT +ATOM 26867 OH2 TIP3 6853 -30.507 16.225 -13.689 1.00 0.00 WAT +ATOM 26868 H1 TIP3 6853 -31.141 16.220 -12.941 1.00 0.00 WAT +ATOM 26869 H2 TIP3 6853 -31.078 15.873 -14.393 1.00 0.00 WAT +ATOM 26870 OH2 TIP3 6854 -38.252 19.903 -22.597 1.00 0.00 WAT +ATOM 26871 H1 TIP3 6854 -38.833 19.579 -23.299 1.00 0.00 WAT +ATOM 26872 H2 TIP3 6854 -37.434 20.094 -23.086 1.00 0.00 WAT +ATOM 26873 OH2 TIP3 6855 -27.503 31.986 -7.040 1.00 0.00 WAT +ATOM 26874 H1 TIP3 6855 -27.293 32.460 -7.862 1.00 0.00 WAT +ATOM 26875 H2 TIP3 6855 -26.816 32.321 -6.439 1.00 0.00 WAT +ATOM 26876 OH2 TIP3 6856 -39.521 24.618 -7.611 1.00 0.00 WAT +ATOM 26877 H1 TIP3 6856 -38.911 24.668 -6.845 1.00 0.00 WAT +ATOM 26878 H2 TIP3 6856 -40.378 24.707 -7.139 1.00 0.00 WAT +ATOM 26879 OH2 TIP3 6857 -33.869 19.647 -14.869 1.00 0.00 WAT +ATOM 26880 H1 TIP3 6857 -33.184 19.165 -15.353 1.00 0.00 WAT +ATOM 26881 H2 TIP3 6857 -34.071 19.029 -14.136 1.00 0.00 WAT +ATOM 26882 OH2 TIP3 6858 -38.735 15.989 -18.659 1.00 0.00 WAT +ATOM 26883 H1 TIP3 6858 -39.175 15.131 -18.586 1.00 0.00 WAT +ATOM 26884 H2 TIP3 6858 -37.904 15.749 -19.094 1.00 0.00 WAT +ATOM 26885 OH2 TIP3 6859 -34.890 18.118 -12.677 1.00 0.00 WAT +ATOM 26886 H1 TIP3 6859 -35.699 18.655 -12.630 1.00 0.00 WAT +ATOM 26887 H2 TIP3 6859 -34.440 18.325 -11.834 1.00 0.00 WAT +ATOM 26888 OH2 TIP3 6860 -34.788 24.482 -20.752 1.00 0.00 WAT +ATOM 26889 H1 TIP3 6860 -35.551 23.975 -21.101 1.00 0.00 WAT +ATOM 26890 H2 TIP3 6860 -34.983 24.523 -19.787 1.00 0.00 WAT +ATOM 26891 OH2 TIP3 6861 -27.363 23.712 -12.229 1.00 0.00 WAT +ATOM 26892 H1 TIP3 6861 -27.226 24.375 -12.916 1.00 0.00 WAT +ATOM 26893 H2 TIP3 6861 -28.295 23.474 -12.422 1.00 0.00 WAT +ATOM 26894 OH2 TIP3 6862 -30.616 17.312 -22.985 1.00 0.00 WAT +ATOM 26895 H1 TIP3 6862 -31.599 17.277 -23.010 1.00 0.00 WAT +ATOM 26896 H2 TIP3 6862 -30.434 18.032 -22.349 1.00 0.00 WAT +ATOM 26897 OH2 TIP3 6863 -33.085 24.503 -9.419 1.00 0.00 WAT +ATOM 26898 H1 TIP3 6863 -33.434 24.159 -8.584 1.00 0.00 WAT +ATOM 26899 H2 TIP3 6863 -33.435 25.409 -9.428 1.00 0.00 WAT +ATOM 26900 OH2 TIP3 6864 -29.938 19.131 -20.924 1.00 0.00 WAT +ATOM 26901 H1 TIP3 6864 -29.057 18.970 -20.534 1.00 0.00 WAT +ATOM 26902 H2 TIP3 6864 -29.829 20.008 -21.335 1.00 0.00 WAT +ATOM 26903 OH2 TIP3 6865 -39.737 23.812 -15.009 1.00 0.00 WAT +ATOM 26904 H1 TIP3 6865 -39.093 23.701 -15.728 1.00 0.00 WAT +ATOM 26905 H2 TIP3 6865 -39.642 22.980 -14.515 1.00 0.00 WAT +ATOM 26906 OH2 TIP3 6866 -32.379 25.835 -21.817 1.00 0.00 WAT +ATOM 26907 H1 TIP3 6866 -32.639 26.700 -21.440 1.00 0.00 WAT +ATOM 26908 H2 TIP3 6866 -33.134 25.283 -21.545 1.00 0.00 WAT +ATOM 26909 OH2 TIP3 6867 -42.377 22.300 -9.398 1.00 0.00 WAT +ATOM 26910 H1 TIP3 6867 -42.336 21.659 -8.668 1.00 0.00 WAT +ATOM 26911 H2 TIP3 6867 -42.840 21.777 -10.092 1.00 0.00 WAT +ATOM 26912 OH2 TIP3 6868 -35.399 21.641 -7.657 1.00 0.00 WAT +ATOM 26913 H1 TIP3 6868 -35.802 21.367 -8.501 1.00 0.00 WAT +ATOM 26914 H2 TIP3 6868 -34.474 21.376 -7.801 1.00 0.00 WAT +ATOM 26915 OH2 TIP3 6869 -30.861 27.063 -9.949 1.00 0.00 WAT +ATOM 26916 H1 TIP3 6869 -31.827 27.149 -10.015 1.00 0.00 WAT +ATOM 26917 H2 TIP3 6869 -30.706 27.325 -9.026 1.00 0.00 WAT +ATOM 26918 OH2 TIP3 6870 -25.348 19.115 -21.167 1.00 0.00 WAT +ATOM 26919 H1 TIP3 6870 -25.898 18.914 -21.950 1.00 0.00 WAT +ATOM 26920 H2 TIP3 6870 -25.231 20.075 -21.315 1.00 0.00 WAT +ATOM 26921 OH2 TIP3 6871 -24.912 25.133 -8.354 1.00 0.00 WAT +ATOM 26922 H1 TIP3 6871 -25.847 25.367 -8.546 1.00 0.00 WAT +ATOM 26923 H2 TIP3 6871 -24.552 25.048 -9.246 1.00 0.00 WAT +ATOM 26924 OH2 TIP3 6872 -27.145 27.726 -21.084 1.00 0.00 WAT +ATOM 26925 H1 TIP3 6872 -27.341 26.929 -20.573 1.00 0.00 WAT +ATOM 26926 H2 TIP3 6872 -26.608 27.393 -21.818 1.00 0.00 WAT +ATOM 26927 OH2 TIP3 6873 -29.843 23.046 -13.685 1.00 0.00 WAT +ATOM 26928 H1 TIP3 6873 -30.788 22.916 -13.900 1.00 0.00 WAT +ATOM 26929 H2 TIP3 6873 -29.448 22.298 -14.174 1.00 0.00 WAT +ATOM 26930 OH2 TIP3 6874 -37.261 27.146 -17.673 1.00 0.00 WAT +ATOM 26931 H1 TIP3 6874 -36.858 28.022 -17.785 1.00 0.00 WAT +ATOM 26932 H2 TIP3 6874 -38.186 27.328 -17.883 1.00 0.00 WAT +ATOM 26933 OH2 TIP3 6875 -41.547 22.106 -22.970 1.00 0.00 WAT +ATOM 26934 H1 TIP3 6875 -40.813 22.616 -22.570 1.00 0.00 WAT +ATOM 26935 H2 TIP3 6875 -42.285 22.702 -22.785 1.00 0.00 WAT +ATOM 26936 OH2 TIP3 6876 -35.421 24.844 -18.036 1.00 0.00 WAT +ATOM 26937 H1 TIP3 6876 -35.742 25.751 -17.900 1.00 0.00 WAT +ATOM 26938 H2 TIP3 6876 -36.139 24.330 -17.635 1.00 0.00 WAT +ATOM 26939 OH2 TIP3 6877 -35.259 29.096 -11.698 1.00 0.00 WAT +ATOM 26940 H1 TIP3 6877 -34.713 29.850 -11.977 1.00 0.00 WAT +ATOM 26941 H2 TIP3 6877 -34.647 28.623 -11.112 1.00 0.00 WAT +ATOM 26942 OH2 TIP3 6878 -36.811 30.050 -18.454 1.00 0.00 WAT +ATOM 26943 H1 TIP3 6878 -37.767 30.184 -18.371 1.00 0.00 WAT +ATOM 26944 H2 TIP3 6878 -36.467 30.932 -18.212 1.00 0.00 WAT +ATOM 26945 OH2 TIP3 6879 -31.846 24.844 -12.122 1.00 0.00 WAT +ATOM 26946 H1 TIP3 6879 -32.165 24.596 -11.236 1.00 0.00 WAT +ATOM 26947 H2 TIP3 6879 -31.127 24.208 -12.260 1.00 0.00 WAT +ATOM 26948 OH2 TIP3 6880 -29.684 26.145 -23.209 1.00 0.00 WAT +ATOM 26949 H1 TIP3 6880 -29.270 25.695 -22.450 1.00 0.00 WAT +ATOM 26950 H2 TIP3 6880 -30.617 26.017 -22.966 1.00 0.00 WAT +ATOM 26951 OH2 TIP3 6881 -28.891 29.406 -9.758 1.00 0.00 WAT +ATOM 26952 H1 TIP3 6881 -29.675 28.977 -10.153 1.00 0.00 WAT +ATOM 26953 H2 TIP3 6881 -28.819 30.227 -10.279 1.00 0.00 WAT +ATOM 26954 OH2 TIP3 6882 -24.955 30.409 -22.670 1.00 0.00 WAT +ATOM 26955 H1 TIP3 6882 -24.251 31.046 -22.884 1.00 0.00 WAT +ATOM 26956 H2 TIP3 6882 -25.716 31.018 -22.673 1.00 0.00 WAT +ATOM 26957 OH2 TIP3 6883 -41.034 16.902 -9.956 1.00 0.00 WAT +ATOM 26958 H1 TIP3 6883 -41.851 17.153 -10.434 1.00 0.00 WAT +ATOM 26959 H2 TIP3 6883 -41.223 16.006 -9.624 1.00 0.00 WAT +ATOM 26960 OH2 TIP3 6884 -28.722 24.777 -20.810 1.00 0.00 WAT +ATOM 26961 H1 TIP3 6884 -28.996 24.047 -20.228 1.00 0.00 WAT +ATOM 26962 H2 TIP3 6884 -27.753 24.739 -20.735 1.00 0.00 WAT +ATOM 26963 OH2 TIP3 6885 -41.274 28.566 -11.610 1.00 0.00 WAT +ATOM 26964 H1 TIP3 6885 -41.088 27.624 -11.487 1.00 0.00 WAT +ATOM 26965 H2 TIP3 6885 -40.975 28.916 -10.763 1.00 0.00 WAT +ATOM 26966 OH2 TIP3 6886 -35.444 27.203 -24.628 1.00 0.00 WAT +ATOM 26967 H1 TIP3 6886 -35.158 26.414 -25.124 1.00 0.00 WAT +ATOM 26968 H2 TIP3 6886 -35.873 26.800 -23.854 1.00 0.00 WAT +ATOM 26969 OH2 TIP3 6887 -36.618 26.717 -21.917 1.00 0.00 WAT +ATOM 26970 H1 TIP3 6887 -36.114 26.192 -21.280 1.00 0.00 WAT +ATOM 26971 H2 TIP3 6887 -36.474 27.631 -21.593 1.00 0.00 WAT +ATOM 26972 OH2 TIP3 6888 -39.871 24.136 -21.588 1.00 0.00 WAT +ATOM 26973 H1 TIP3 6888 -40.567 24.532 -21.010 1.00 0.00 WAT +ATOM 26974 H2 TIP3 6888 -39.376 24.941 -21.807 1.00 0.00 WAT +ATOM 26975 OH2 TIP3 6889 -32.092 16.660 -11.461 1.00 0.00 WAT +ATOM 26976 H1 TIP3 6889 -31.430 16.847 -10.779 1.00 0.00 WAT +ATOM 26977 H2 TIP3 6889 -32.583 15.902 -11.084 1.00 0.00 WAT +ATOM 26978 OH2 TIP3 6890 -31.461 16.069 -20.240 1.00 0.00 WAT +ATOM 26979 H1 TIP3 6890 -31.281 16.604 -21.027 1.00 0.00 WAT +ATOM 26980 H2 TIP3 6890 -31.011 16.574 -19.541 1.00 0.00 WAT +ATOM 26981 OH2 TIP3 6891 -33.648 28.343 -21.284 1.00 0.00 WAT +ATOM 26982 H1 TIP3 6891 -34.470 28.830 -21.111 1.00 0.00 WAT +ATOM 26983 H2 TIP3 6891 -33.298 28.814 -22.052 1.00 0.00 WAT +ATOM 26984 OH2 TIP3 6892 -34.046 18.061 -19.291 1.00 0.00 WAT +ATOM 26985 H1 TIP3 6892 -33.294 18.670 -19.147 1.00 0.00 WAT +ATOM 26986 H2 TIP3 6892 -34.343 17.896 -18.375 1.00 0.00 WAT +ATOM 26987 OH2 TIP3 6893 -33.695 18.965 -10.123 1.00 0.00 WAT +ATOM 26988 H1 TIP3 6893 -33.600 19.481 -9.307 1.00 0.00 WAT +ATOM 26989 H2 TIP3 6893 -33.127 18.201 -9.956 1.00 0.00 WAT +ATOM 26990 OH2 TIP3 6894 -33.457 15.081 -18.349 1.00 0.00 WAT +ATOM 26991 H1 TIP3 6894 -33.654 15.769 -17.686 1.00 0.00 WAT +ATOM 26992 H2 TIP3 6894 -32.735 15.501 -18.856 1.00 0.00 WAT +ATOM 26993 OH2 TIP3 6895 -36.444 29.418 -21.289 1.00 0.00 WAT +ATOM 26994 H1 TIP3 6895 -36.518 30.230 -21.834 1.00 0.00 WAT +ATOM 26995 H2 TIP3 6895 -36.585 29.765 -20.389 1.00 0.00 WAT +ATOM 26996 OH2 TIP3 6896 -37.740 16.099 -21.785 1.00 0.00 WAT +ATOM 26997 H1 TIP3 6896 -37.658 16.888 -21.220 1.00 0.00 WAT +ATOM 26998 H2 TIP3 6896 -36.933 15.606 -21.532 1.00 0.00 WAT +ATOM 26999 OH2 TIP3 6897 -27.250 17.100 -9.145 1.00 0.00 WAT +ATOM 27000 H1 TIP3 6897 -28.204 17.032 -9.319 1.00 0.00 WAT +ATOM 27001 H2 TIP3 6897 -26.908 16.602 -9.898 1.00 0.00 WAT +ATOM 27002 OH2 TIP3 6898 -28.836 20.780 -15.194 1.00 0.00 WAT +ATOM 27003 H1 TIP3 6898 -29.680 20.369 -15.465 1.00 0.00 WAT +ATOM 27004 H2 TIP3 6898 -28.390 20.032 -14.737 1.00 0.00 WAT +ATOM 27005 OH2 TIP3 6899 -39.314 26.988 -22.756 1.00 0.00 WAT +ATOM 27006 H1 TIP3 6899 -38.552 27.424 -22.341 1.00 0.00 WAT +ATOM 27007 H2 TIP3 6899 -38.851 26.428 -23.396 1.00 0.00 WAT +ATOM 27008 OH2 TIP3 6900 -41.140 19.113 -23.586 1.00 0.00 WAT +ATOM 27009 H1 TIP3 6900 -41.059 20.060 -23.389 1.00 0.00 WAT +ATOM 27010 H2 TIP3 6900 -41.945 19.048 -24.106 1.00 0.00 WAT +ATOM 27011 OH2 TIP3 6901 -27.831 29.624 -13.849 1.00 0.00 WAT +ATOM 27012 H1 TIP3 6901 -28.076 30.423 -14.357 1.00 0.00 WAT +ATOM 27013 H2 TIP3 6901 -26.931 29.871 -13.579 1.00 0.00 WAT +ATOM 27014 OH2 TIP3 6902 -40.235 14.086 -14.887 1.00 0.00 WAT +ATOM 27015 H1 TIP3 6902 -40.591 14.074 -15.793 1.00 0.00 WAT +ATOM 27016 H2 TIP3 6902 -40.673 13.303 -14.491 1.00 0.00 WAT +ATOM 27017 OH2 TIP3 6903 -41.365 27.744 -18.604 1.00 0.00 WAT +ATOM 27018 H1 TIP3 6903 -42.264 28.100 -18.527 1.00 0.00 WAT +ATOM 27019 H2 TIP3 6903 -41.044 28.171 -19.408 1.00 0.00 WAT +ATOM 27020 OH2 TIP3 6904 -42.134 30.527 -7.381 1.00 0.00 WAT +ATOM 27021 H1 TIP3 6904 -41.506 30.524 -6.635 1.00 0.00 WAT +ATOM 27022 H2 TIP3 6904 -42.173 29.565 -7.517 1.00 0.00 WAT +ATOM 27023 OH2 TIP3 6905 -37.244 29.651 -5.647 1.00 0.00 WAT +ATOM 27024 H1 TIP3 6905 -36.566 28.988 -5.447 1.00 0.00 WAT +ATOM 27025 H2 TIP3 6905 -37.505 29.388 -6.544 1.00 0.00 WAT +ATOM 27026 OH2 TIP3 6906 -33.225 28.902 -24.121 1.00 0.00 WAT +ATOM 27027 H1 TIP3 6906 -33.985 28.289 -24.228 1.00 0.00 WAT +ATOM 27028 H2 TIP3 6906 -32.516 28.362 -24.507 1.00 0.00 WAT +ATOM 27029 OH2 TIP3 6907 -30.772 27.898 -7.090 1.00 0.00 WAT +ATOM 27030 H1 TIP3 6907 -31.193 27.112 -6.695 1.00 0.00 WAT +ATOM 27031 H2 TIP3 6907 -30.113 28.141 -6.416 1.00 0.00 WAT +ATOM 27032 OH2 TIP3 6908 -28.603 28.814 -24.018 1.00 0.00 WAT +ATOM 27033 H1 TIP3 6908 -28.436 27.999 -23.518 1.00 0.00 WAT +ATOM 27034 H2 TIP3 6908 -27.817 28.868 -24.591 1.00 0.00 WAT +ATOM 27035 OH2 TIP3 6909 -41.992 24.542 -6.768 1.00 0.00 WAT +ATOM 27036 H1 TIP3 6909 -41.902 23.656 -7.149 1.00 0.00 WAT +ATOM 27037 H2 TIP3 6909 -42.872 24.812 -7.074 1.00 0.00 WAT +ATOM 27038 OH2 TIP3 6910 -37.809 24.629 -24.291 1.00 0.00 WAT +ATOM 27039 H1 TIP3 6910 -37.624 24.050 -23.533 1.00 0.00 WAT +ATOM 27040 H2 TIP3 6910 -36.951 24.606 -24.756 1.00 0.00 WAT +ATOM 27041 OH2 TIP3 6911 -35.367 24.409 -6.979 1.00 0.00 WAT +ATOM 27042 H1 TIP3 6911 -35.701 24.744 -7.829 1.00 0.00 WAT +ATOM 27043 H2 TIP3 6911 -35.320 23.442 -7.130 1.00 0.00 WAT +ATOM 27044 OH2 TIP3 6912 -32.562 25.963 -24.678 1.00 0.00 WAT +ATOM 27045 H1 TIP3 6912 -32.612 25.921 -23.707 1.00 0.00 WAT +ATOM 27046 H2 TIP3 6912 -32.611 25.007 -24.892 1.00 0.00 WAT +ATOM 27047 OH2 TIP3 6913 -29.986 24.011 -9.598 1.00 0.00 WAT +ATOM 27048 H1 TIP3 6913 -29.250 24.632 -9.696 1.00 0.00 WAT +ATOM 27049 H2 TIP3 6913 -30.744 24.621 -9.587 1.00 0.00 WAT +ATOM 27050 OH2 TIP3 6914 -41.342 21.295 -6.979 1.00 0.00 WAT +ATOM 27051 H1 TIP3 6914 -40.564 20.720 -7.095 1.00 0.00 WAT +ATOM 27052 H2 TIP3 6914 -41.239 21.566 -6.055 1.00 0.00 WAT +ATOM 27053 OH2 TIP3 6915 -36.735 22.730 -21.953 1.00 0.00 WAT +ATOM 27054 H1 TIP3 6915 -37.348 22.226 -21.395 1.00 0.00 WAT +ATOM 27055 H2 TIP3 6915 -36.435 22.041 -22.580 1.00 0.00 WAT +ATOM 27056 OH2 TIP3 6916 -37.471 20.511 -9.643 1.00 0.00 WAT +ATOM 27057 H1 TIP3 6916 -38.071 21.271 -9.528 1.00 0.00 WAT +ATOM 27058 H2 TIP3 6916 -36.873 20.833 -10.339 1.00 0.00 WAT +ATOM 27059 OH2 TIP3 6917 -35.762 20.737 -23.702 1.00 0.00 WAT +ATOM 27060 H1 TIP3 6917 -35.788 20.828 -24.671 1.00 0.00 WAT +ATOM 27061 H2 TIP3 6917 -34.802 20.703 -23.536 1.00 0.00 WAT +ATOM 27062 OH2 TIP3 6918 -32.192 23.200 -6.149 1.00 0.00 WAT +ATOM 27063 H1 TIP3 6918 -31.291 23.009 -6.448 1.00 0.00 WAT +ATOM 27064 H2 TIP3 6918 -32.460 22.351 -5.773 1.00 0.00 WAT +ATOM 27065 OH2 TIP3 6919 -26.247 23.246 -24.368 1.00 0.00 WAT +ATOM 27066 H1 TIP3 6919 -26.339 22.831 -25.238 1.00 0.00 WAT +ATOM 27067 H2 TIP3 6919 -26.349 24.194 -24.609 1.00 0.00 WAT +ATOM 27068 OH2 TIP3 6920 -36.867 17.798 -8.543 1.00 0.00 WAT +ATOM 27069 H1 TIP3 6920 -36.837 17.119 -9.242 1.00 0.00 WAT +ATOM 27070 H2 TIP3 6920 -37.098 18.592 -9.057 1.00 0.00 WAT +ATOM 27071 OH2 TIP3 6921 -36.574 16.263 -11.095 1.00 0.00 WAT +ATOM 27072 H1 TIP3 6921 -36.068 16.756 -11.765 1.00 0.00 WAT +ATOM 27073 H2 TIP3 6921 -37.486 16.268 -11.458 1.00 0.00 WAT +ATOM 27074 OH2 TIP3 6922 -34.972 21.713 -10.690 1.00 0.00 WAT +ATOM 27075 H1 TIP3 6922 -34.170 21.631 -11.223 1.00 0.00 WAT +ATOM 27076 H2 TIP3 6922 -35.331 22.564 -11.009 1.00 0.00 WAT +ATOM 27077 OH2 TIP3 6923 -30.438 19.405 -5.786 1.00 0.00 WAT +ATOM 27078 H1 TIP3 6923 -30.155 18.494 -5.956 1.00 0.00 WAT +ATOM 27079 H2 TIP3 6923 -29.592 19.876 -5.851 1.00 0.00 WAT +ATOM 27080 OH2 TIP3 6924 -29.494 22.418 -7.395 1.00 0.00 WAT +ATOM 27081 H1 TIP3 6924 -29.812 23.018 -8.100 1.00 0.00 WAT +ATOM 27082 H2 TIP3 6924 -28.619 22.182 -7.755 1.00 0.00 WAT +ATOM 27083 OH2 TIP3 6925 -38.753 19.657 -6.762 1.00 0.00 WAT +ATOM 27084 H1 TIP3 6925 -39.291 18.844 -6.771 1.00 0.00 WAT +ATOM 27085 H2 TIP3 6925 -37.967 19.374 -7.253 1.00 0.00 WAT +ATOM 27086 OH2 TIP3 6926 -35.831 13.582 -10.768 1.00 0.00 WAT +ATOM 27087 H1 TIP3 6926 -36.037 14.528 -10.918 1.00 0.00 WAT +ATOM 27088 H2 TIP3 6926 -36.536 13.147 -11.287 1.00 0.00 WAT +ATOM 27089 OH2 TIP3 6927 -34.565 18.146 -6.914 1.00 0.00 WAT +ATOM 27090 H1 TIP3 6927 -35.022 17.916 -6.084 1.00 0.00 WAT +ATOM 27091 H2 TIP3 6927 -35.297 17.954 -7.538 1.00 0.00 WAT +ATOM 27092 OH2 TIP3 6928 -31.962 17.160 -8.037 1.00 0.00 WAT +ATOM 27093 H1 TIP3 6928 -32.894 17.183 -7.756 1.00 0.00 WAT +ATOM 27094 H2 TIP3 6928 -31.576 16.580 -7.363 1.00 0.00 WAT +ATOM 27095 OH2 TIP3 6929 -30.269 16.025 -5.640 1.00 0.00 WAT +ATOM 27096 H1 TIP3 6929 -30.262 15.081 -5.907 1.00 0.00 WAT +ATOM 27097 H2 TIP3 6929 -30.945 16.034 -4.949 1.00 0.00 WAT +ATOM 27098 OH2 TIP3 6930 -40.083 17.117 -6.940 1.00 0.00 WAT +ATOM 27099 H1 TIP3 6930 -40.164 16.395 -7.585 1.00 0.00 WAT +ATOM 27100 H2 TIP3 6930 -40.311 16.666 -6.106 1.00 0.00 WAT +ATOM 27101 OH2 TIP3 6931 -35.939 13.121 -7.914 1.00 0.00 WAT +ATOM 27102 H1 TIP3 6931 -35.411 12.306 -7.863 1.00 0.00 WAT +ATOM 27103 H2 TIP3 6931 -36.005 13.231 -8.882 1.00 0.00 WAT +ATOM 27104 OH2 TIP3 6932 -34.941 15.029 -6.102 1.00 0.00 WAT +ATOM 27105 H1 TIP3 6932 -35.234 14.375 -6.769 1.00 0.00 WAT +ATOM 27106 H2 TIP3 6932 -35.725 15.588 -6.005 1.00 0.00 WAT +ATOM 27107 OH2 TIP3 6933 -35.996 31.976 -22.599 1.00 0.00 WAT +ATOM 27108 H1 TIP3 6933 -35.040 32.082 -22.490 1.00 0.00 WAT +ATOM 27109 H2 TIP3 6933 -36.128 32.412 -23.450 1.00 0.00 WAT +ATOM 27110 OH2 TIP3 6934 -41.992 26.872 -23.526 1.00 0.00 WAT +ATOM 27111 H1 TIP3 6934 -41.218 26.818 -22.931 1.00 0.00 WAT +ATOM 27112 H2 TIP3 6934 -42.169 25.941 -23.728 1.00 0.00 WAT +ATOM 27113 OH2 TIP3 6935 -42.729 29.640 -16.402 1.00 0.00 WAT +ATOM 27114 H1 TIP3 6935 -42.759 28.759 -15.987 1.00 0.00 WAT +ATOM 27115 H2 TIP3 6935 -42.437 30.165 -15.641 1.00 0.00 WAT +ATOM 27116 OH2 TIP3 6936 -25.167 30.811 -13.346 1.00 0.00 WAT +ATOM 27117 H1 TIP3 6936 -24.993 30.810 -12.392 1.00 0.00 WAT +ATOM 27118 H2 TIP3 6936 -24.331 31.165 -13.683 1.00 0.00 WAT +ATOM 27119 OH2 TIP3 6937 -25.270 30.296 -10.450 1.00 0.00 WAT +ATOM 27120 H1 TIP3 6937 -25.747 29.535 -10.822 1.00 0.00 WAT +ATOM 27121 H2 TIP3 6937 -24.692 29.847 -9.814 1.00 0.00 WAT +ATOM 27122 OH2 TIP3 6938 -27.261 25.712 -6.170 1.00 0.00 WAT +ATOM 27123 H1 TIP3 6938 -28.145 25.810 -5.776 1.00 0.00 WAT +ATOM 27124 H2 TIP3 6938 -26.800 26.510 -5.860 1.00 0.00 WAT +ATOM 27125 OH2 TIP3 6939 -25.875 24.615 -20.424 1.00 0.00 WAT +ATOM 27126 H1 TIP3 6939 -24.970 24.957 -20.290 1.00 0.00 WAT +ATOM 27127 H2 TIP3 6939 -25.935 23.973 -19.697 1.00 0.00 WAT +ATOM 27128 OH2 TIP3 6940 -25.341 22.568 -18.380 1.00 0.00 WAT +ATOM 27129 H1 TIP3 6940 -26.073 22.006 -18.053 1.00 0.00 WAT +ATOM 27130 H2 TIP3 6940 -24.760 22.643 -17.605 1.00 0.00 WAT +ATOM 27131 OH2 TIP3 6941 -26.996 27.928 -11.202 1.00 0.00 WAT +ATOM 27132 H1 TIP3 6941 -27.672 28.433 -10.711 1.00 0.00 WAT +ATOM 27133 H2 TIP3 6941 -27.478 27.681 -12.014 1.00 0.00 WAT +ATOM 27134 OH2 TIP3 6942 -25.169 22.025 -21.862 1.00 0.00 WAT +ATOM 27135 H1 TIP3 6942 -25.664 22.286 -22.661 1.00 0.00 WAT +ATOM 27136 H2 TIP3 6942 -25.274 22.819 -21.316 1.00 0.00 WAT +ATOM 27137 OH2 TIP3 6943 -26.863 19.583 -23.612 1.00 0.00 WAT +ATOM 27138 H1 TIP3 6943 -26.621 20.180 -24.333 1.00 0.00 WAT +ATOM 27139 H2 TIP3 6943 -27.110 18.765 -24.087 1.00 0.00 WAT +ATOM 27140 OH2 TIP3 6944 -27.425 20.731 -17.636 1.00 0.00 WAT +ATOM 27141 H1 TIP3 6944 -27.503 19.782 -17.829 1.00 0.00 WAT +ATOM 27142 H2 TIP3 6944 -27.841 20.795 -16.752 1.00 0.00 WAT +ATOM 27143 OH2 TIP3 6945 -42.627 23.079 -13.734 1.00 0.00 WAT +ATOM 27144 H1 TIP3 6945 -42.361 23.244 -14.649 1.00 0.00 WAT +ATOM 27145 H2 TIP3 6945 -41.787 22.770 -13.338 1.00 0.00 WAT +ATOM 27146 OH2 TIP3 6946 -26.808 22.598 -8.516 1.00 0.00 WAT +ATOM 27147 H1 TIP3 6946 -26.096 21.960 -8.313 1.00 0.00 WAT +ATOM 27148 H2 TIP3 6946 -26.330 23.432 -8.608 1.00 0.00 WAT +ATOM 27149 OH2 TIP3 6947 -25.230 20.594 -7.407 1.00 0.00 WAT +ATOM 27150 H1 TIP3 6947 -26.072 20.109 -7.534 1.00 0.00 WAT +ATOM 27151 H2 TIP3 6947 -24.597 19.854 -7.370 1.00 0.00 WAT +ATOM 27152 OH2 TIP3 6948 -27.401 16.929 -24.413 1.00 0.00 WAT +ATOM 27153 H1 TIP3 6948 -26.823 16.427 -23.813 1.00 0.00 WAT +ATOM 27154 H2 TIP3 6948 -28.203 16.390 -24.466 1.00 0.00 WAT +ATOM 27155 OH2 TIP3 6949 -27.581 18.221 -19.446 1.00 0.00 WAT +ATOM 27156 H1 TIP3 6949 -27.361 17.265 -19.402 1.00 0.00 WAT +ATOM 27157 H2 TIP3 6949 -26.780 18.563 -19.881 1.00 0.00 WAT +ATOM 27158 OH2 TIP3 6950 -27.321 18.759 -14.015 1.00 0.00 WAT +ATOM 27159 H1 TIP3 6950 -26.343 18.826 -14.022 1.00 0.00 WAT +ATOM 27160 H2 TIP3 6950 -27.474 18.719 -13.055 1.00 0.00 WAT +ATOM 27161 OH2 TIP3 6951 -27.143 19.571 -11.214 1.00 0.00 WAT +ATOM 27162 H1 TIP3 6951 -28.023 19.880 -10.932 1.00 0.00 WAT +ATOM 27163 H2 TIP3 6951 -26.682 20.399 -11.396 1.00 0.00 WAT +ATOM 27164 OH2 TIP3 6952 -42.805 18.195 -7.405 1.00 0.00 WAT +ATOM 27165 H1 TIP3 6952 -41.974 17.760 -7.647 1.00 0.00 WAT +ATOM 27166 H2 TIP3 6952 -43.457 17.478 -7.418 1.00 0.00 WAT +ATOM 27167 OH2 TIP3 6953 -27.123 15.420 -19.490 1.00 0.00 WAT +ATOM 27168 H1 TIP3 6953 -27.011 15.069 -18.588 1.00 0.00 WAT +ATOM 27169 H2 TIP3 6953 -27.916 14.925 -19.785 1.00 0.00 WAT +ATOM 27170 OH2 TIP3 6954 -41.960 16.741 -14.363 1.00 0.00 WAT +ATOM 27171 H1 TIP3 6954 -41.655 15.828 -14.449 1.00 0.00 WAT +ATOM 27172 H2 TIP3 6954 -41.131 17.244 -14.276 1.00 0.00 WAT +ATOM 27173 OH2 TIP3 6955 -43.483 19.567 -13.772 1.00 0.00 WAT +ATOM 27174 H1 TIP3 6955 -43.263 18.830 -14.360 1.00 0.00 WAT +ATOM 27175 H2 TIP3 6955 -42.807 20.213 -14.002 1.00 0.00 WAT +ATOM 27176 OH2 TIP3 6956 -25.154 15.900 -22.815 1.00 0.00 WAT +ATOM 27177 H1 TIP3 6956 -24.852 15.096 -23.271 1.00 0.00 WAT +ATOM 27178 H2 TIP3 6956 -24.334 16.416 -22.749 1.00 0.00 WAT +ATOM 27179 OH2 TIP3 6957 -43.134 15.420 -20.125 1.00 0.00 WAT +ATOM 27180 H1 TIP3 6957 -43.996 15.720 -20.447 1.00 0.00 WAT +ATOM 27181 H2 TIP3 6957 -42.564 16.175 -20.382 1.00 0.00 WAT +ATOM 27182 OH2 TIP3 6958 -28.274 30.863 -17.528 1.00 0.00 WAT +ATOM 27183 H1 TIP3 6958 -27.806 30.662 -18.358 1.00 0.00 WAT +ATOM 27184 H2 TIP3 6958 -27.587 31.309 -17.016 1.00 0.00 WAT +ATOM 27185 OH2 TIP3 6959 -42.960 14.304 -11.758 1.00 0.00 WAT +ATOM 27186 H1 TIP3 6959 -43.598 14.312 -11.009 1.00 0.00 WAT +ATOM 27187 H2 TIP3 6959 -43.323 14.945 -12.386 1.00 0.00 WAT +ATOM 27188 OH2 TIP3 6960 -41.160 27.936 -7.034 1.00 0.00 WAT +ATOM 27189 H1 TIP3 6960 -41.698 27.327 -7.548 1.00 0.00 WAT +ATOM 27190 H2 TIP3 6960 -41.324 27.603 -6.121 1.00 0.00 WAT +ATOM 27191 OH2 TIP3 6961 -38.014 28.599 -11.117 1.00 0.00 WAT +ATOM 27192 H1 TIP3 6961 -38.343 29.431 -11.501 1.00 0.00 WAT +ATOM 27193 H2 TIP3 6961 -37.060 28.694 -11.309 1.00 0.00 WAT +ATOM 27194 OH2 TIP3 6962 -33.507 29.876 -8.135 1.00 0.00 WAT +ATOM 27195 H1 TIP3 6962 -33.383 29.733 -7.183 1.00 0.00 WAT +ATOM 27196 H2 TIP3 6962 -32.683 30.347 -8.374 1.00 0.00 WAT +ATOM 27197 OH2 TIP3 6963 -31.223 31.349 -8.892 1.00 0.00 WAT +ATOM 27198 H1 TIP3 6963 -30.538 30.697 -9.094 1.00 0.00 WAT +ATOM 27199 H2 TIP3 6963 -30.926 31.671 -8.018 1.00 0.00 WAT +ATOM 27200 OH2 TIP3 6964 -26.199 14.169 -9.800 1.00 0.00 WAT +ATOM 27201 H1 TIP3 6964 -27.009 14.354 -10.291 1.00 0.00 WAT +ATOM 27202 H2 TIP3 6964 -25.941 13.318 -10.161 1.00 0.00 WAT +ATOM 27203 OH2 TIP3 6965 -40.693 31.650 -10.888 1.00 0.00 WAT +ATOM 27204 H1 TIP3 6965 -41.387 32.139 -11.372 1.00 0.00 WAT +ATOM 27205 H2 TIP3 6965 -41.008 31.732 -9.981 1.00 0.00 WAT +ATOM 27206 OH2 TIP3 6966 -38.178 31.319 -12.244 1.00 0.00 WAT +ATOM 27207 H1 TIP3 6966 -39.047 31.501 -11.830 1.00 0.00 WAT +ATOM 27208 H2 TIP3 6966 -38.149 31.992 -12.947 1.00 0.00 WAT +ATOM 27209 OH2 TIP3 6967 -33.403 31.315 -12.700 1.00 0.00 WAT +ATOM 27210 H1 TIP3 6967 -33.797 31.760 -13.471 1.00 0.00 WAT +ATOM 27211 H2 TIP3 6967 -33.334 32.057 -12.068 1.00 0.00 WAT +ATOM 27212 OH2 TIP3 6968 -31.083 30.024 -11.790 1.00 0.00 WAT +ATOM 27213 H1 TIP3 6968 -31.931 30.395 -12.102 1.00 0.00 WAT +ATOM 27214 H2 TIP3 6968 -30.523 30.814 -11.787 1.00 0.00 WAT +ATOM 27215 OH2 TIP3 6969 -28.547 31.754 -11.597 1.00 0.00 WAT +ATOM 27216 H1 TIP3 6969 -28.599 32.715 -11.772 1.00 0.00 WAT +ATOM 27217 H2 TIP3 6969 -28.266 31.437 -12.471 1.00 0.00 WAT +ATOM 27218 OH2 TIP3 6970 -41.247 30.409 -13.910 1.00 0.00 WAT +ATOM 27219 H1 TIP3 6970 -41.348 29.950 -13.051 1.00 0.00 WAT +ATOM 27220 H2 TIP3 6970 -40.493 29.924 -14.290 1.00 0.00 WAT +ATOM 27221 OH2 TIP3 6971 -39.095 29.129 -15.414 1.00 0.00 WAT +ATOM 27222 H1 TIP3 6971 -39.268 28.208 -15.126 1.00 0.00 WAT +ATOM 27223 H2 TIP3 6971 -38.196 29.281 -15.067 1.00 0.00 WAT +ATOM 27224 OH2 TIP3 6972 -36.282 29.560 -14.544 1.00 0.00 WAT +ATOM 27225 H1 TIP3 6972 -36.131 28.622 -14.761 1.00 0.00 WAT +ATOM 27226 H2 TIP3 6972 -36.243 29.525 -13.576 1.00 0.00 WAT +ATOM 27227 OH2 TIP3 6973 -32.972 15.448 -15.234 1.00 0.00 WAT +ATOM 27228 H1 TIP3 6973 -33.658 14.771 -15.072 1.00 0.00 WAT +ATOM 27229 H2 TIP3 6973 -32.370 14.975 -15.829 1.00 0.00 WAT +ATOM 27230 OH2 TIP3 6974 -27.958 13.513 -14.766 1.00 0.00 WAT +ATOM 27231 H1 TIP3 6974 -27.254 13.972 -15.255 1.00 0.00 WAT +ATOM 27232 H2 TIP3 6974 -28.749 13.725 -15.293 1.00 0.00 WAT +ATOM 27233 OH2 TIP3 6975 -25.931 14.553 -16.920 1.00 0.00 WAT +ATOM 27234 H1 TIP3 6975 -25.201 14.148 -17.422 1.00 0.00 WAT +ATOM 27235 H2 TIP3 6975 -25.612 15.465 -16.792 1.00 0.00 WAT +ATOM 27236 OH2 TIP3 6976 -41.059 14.034 -17.730 1.00 0.00 WAT +ATOM 27237 H1 TIP3 6976 -41.806 13.710 -18.247 1.00 0.00 WAT +ATOM 27238 H2 TIP3 6976 -40.450 13.274 -17.791 1.00 0.00 WAT +ATOM 27239 OH2 TIP3 6977 -41.837 13.630 -21.918 1.00 0.00 WAT +ATOM 27240 H1 TIP3 6977 -41.306 14.303 -22.385 1.00 0.00 WAT +ATOM 27241 H2 TIP3 6977 -42.330 14.185 -21.283 1.00 0.00 WAT +ATOM 27242 OH2 TIP3 6978 -36.162 14.017 -17.792 1.00 0.00 WAT +ATOM 27243 H1 TIP3 6978 -35.233 14.267 -17.934 1.00 0.00 WAT +ATOM 27244 H2 TIP3 6978 -36.177 13.894 -16.835 1.00 0.00 WAT +ATOM 27245 OH2 TIP3 6979 -30.549 14.023 -16.380 1.00 0.00 WAT +ATOM 27246 H1 TIP3 6979 -30.286 13.836 -17.291 1.00 0.00 WAT +ATOM 27247 H2 TIP3 6979 -30.951 13.172 -16.117 1.00 0.00 WAT +ATOM 27248 OH2 TIP3 6980 -29.439 14.023 -20.415 1.00 0.00 WAT +ATOM 27249 H1 TIP3 6980 -30.268 14.521 -20.546 1.00 0.00 WAT +ATOM 27250 H2 TIP3 6980 -29.786 13.131 -20.236 1.00 0.00 WAT +ATOM 27251 OH2 TIP3 6981 -41.887 29.652 -20.837 1.00 0.00 WAT +ATOM 27252 H1 TIP3 6981 -42.494 29.469 -21.562 1.00 0.00 WAT +ATOM 27253 H2 TIP3 6981 -41.827 30.616 -20.864 1.00 0.00 WAT +ATOM 27254 OH2 TIP3 6982 -40.054 15.532 -23.351 1.00 0.00 WAT +ATOM 27255 H1 TIP3 6982 -39.484 14.927 -23.854 1.00 0.00 WAT +ATOM 27256 H2 TIP3 6982 -39.436 15.820 -22.649 1.00 0.00 WAT +ATOM 27257 OH2 TIP3 6983 -34.984 15.664 -20.753 1.00 0.00 WAT +ATOM 27258 H1 TIP3 6983 -34.658 15.065 -20.063 1.00 0.00 WAT +ATOM 27259 H2 TIP3 6983 -34.781 16.522 -20.346 1.00 0.00 WAT +ATOM 27260 OH2 TIP3 6984 -32.954 31.434 -22.512 1.00 0.00 WAT +ATOM 27261 H1 TIP3 6984 -31.980 31.452 -22.559 1.00 0.00 WAT +ATOM 27262 H2 TIP3 6984 -33.148 30.776 -23.200 1.00 0.00 WAT +ATOM 27263 OH2 TIP3 6985 -26.466 30.465 -19.916 1.00 0.00 WAT +ATOM 27264 H1 TIP3 6985 -26.680 29.628 -20.375 1.00 0.00 WAT +ATOM 27265 H2 TIP3 6985 -26.457 31.088 -20.662 1.00 0.00 WAT +ATOM 27266 OH2 TIP3 6986 -40.789 14.430 -8.158 1.00 0.00 WAT +ATOM 27267 H1 TIP3 6986 -41.252 13.665 -7.777 1.00 0.00 WAT +ATOM 27268 H2 TIP3 6986 -39.877 14.257 -7.866 1.00 0.00 WAT +ATOM 27269 OH2 TIP3 6987 -38.418 13.798 -6.390 1.00 0.00 WAT +ATOM 27270 H1 TIP3 6987 -37.612 13.424 -6.798 1.00 0.00 WAT +ATOM 27271 H2 TIP3 6987 -38.784 13.008 -5.948 1.00 0.00 WAT +ATOM 27272 OH2 TIP3 6988 -40.120 30.646 -23.861 1.00 0.00 WAT +ATOM 27273 H1 TIP3 6988 -40.403 30.824 -22.953 1.00 0.00 WAT +ATOM 27274 H2 TIP3 6988 -39.414 29.990 -23.730 1.00 0.00 WAT +ATOM 27275 OH2 TIP3 6989 -30.116 13.219 -6.212 1.00 0.00 WAT +ATOM 27276 H1 TIP3 6989 -30.157 12.643 -5.427 1.00 0.00 WAT +ATOM 27277 H2 TIP3 6989 -29.242 12.966 -6.576 1.00 0.00 WAT +ATOM 27278 OH2 TIP3 6990 -26.941 29.224 -7.556 1.00 0.00 WAT +ATOM 27279 H1 TIP3 6990 -27.687 29.043 -8.155 1.00 0.00 WAT +ATOM 27280 H2 TIP3 6990 -27.104 30.164 -7.345 1.00 0.00 WAT +ATOM 27281 OH2 TIP3 6991 -12.753 22.896 -17.408 1.00 0.00 WAT +ATOM 27282 H1 TIP3 6991 -12.748 23.862 -17.300 1.00 0.00 WAT +ATOM 27283 H2 TIP3 6991 -13.517 22.779 -17.989 1.00 0.00 WAT +ATOM 27284 OH2 TIP3 6992 -13.911 22.338 -14.332 1.00 0.00 WAT +ATOM 27285 H1 TIP3 6992 -13.892 21.762 -13.553 1.00 0.00 WAT +ATOM 27286 H2 TIP3 6992 -14.157 21.718 -15.034 1.00 0.00 WAT +ATOM 27287 OH2 TIP3 6993 -21.674 22.009 -12.759 1.00 0.00 WAT +ATOM 27288 H1 TIP3 6993 -21.684 21.232 -12.177 1.00 0.00 WAT +ATOM 27289 H2 TIP3 6993 -20.912 22.486 -12.404 1.00 0.00 WAT +ATOM 27290 OH2 TIP3 6994 -10.212 25.071 -16.021 1.00 0.00 WAT +ATOM 27291 H1 TIP3 6994 -10.586 24.374 -15.467 1.00 0.00 WAT +ATOM 27292 H2 TIP3 6994 -9.938 25.715 -15.353 1.00 0.00 WAT +ATOM 27293 OH2 TIP3 6995 -20.786 26.436 -14.216 1.00 0.00 WAT +ATOM 27294 H1 TIP3 6995 -20.627 25.497 -14.424 1.00 0.00 WAT +ATOM 27295 H2 TIP3 6995 -19.903 26.658 -13.873 1.00 0.00 WAT +ATOM 27296 OH2 TIP3 6996 -23.788 20.047 -18.749 1.00 0.00 WAT +ATOM 27297 H1 TIP3 6996 -24.268 20.888 -18.774 1.00 0.00 WAT +ATOM 27298 H2 TIP3 6996 -24.427 19.451 -19.161 1.00 0.00 WAT +ATOM 27299 OH2 TIP3 6997 -23.163 22.665 -16.436 1.00 0.00 WAT +ATOM 27300 H1 TIP3 6997 -23.028 21.758 -16.084 1.00 0.00 WAT +ATOM 27301 H2 TIP3 6997 -22.509 22.658 -17.150 1.00 0.00 WAT +ATOM 27302 OH2 TIP3 6998 -13.235 30.365 -15.492 1.00 0.00 WAT +ATOM 27303 H1 TIP3 6998 -12.546 29.737 -15.776 1.00 0.00 WAT +ATOM 27304 H2 TIP3 6998 -13.404 30.091 -14.583 1.00 0.00 WAT +ATOM 27305 OH2 TIP3 6999 -15.405 24.851 -13.766 1.00 0.00 WAT +ATOM 27306 H1 TIP3 6999 -15.076 24.132 -14.333 1.00 0.00 WAT +ATOM 27307 H2 TIP3 6999 -14.590 25.018 -13.255 1.00 0.00 WAT +ATOM 27308 OH2 TIP3 7000 -6.846 16.375 -12.808 1.00 0.00 WAT +ATOM 27309 H1 TIP3 7000 -6.472 16.900 -12.097 1.00 0.00 WAT +ATOM 27310 H2 TIP3 7000 -6.215 16.525 -13.522 1.00 0.00 WAT +ATOM 27311 OH2 TIP3 7001 -12.166 19.189 -13.267 1.00 0.00 WAT +ATOM 27312 H1 TIP3 7001 -11.895 18.258 -13.220 1.00 0.00 WAT +ATOM 27313 H2 TIP3 7001 -12.197 19.332 -14.226 1.00 0.00 WAT +ATOM 27314 OH2 TIP3 7002 -19.157 17.323 -16.256 1.00 0.00 WAT +ATOM 27315 H1 TIP3 7002 -19.016 18.161 -16.746 1.00 0.00 WAT +ATOM 27316 H2 TIP3 7002 -19.528 16.775 -16.976 1.00 0.00 WAT +ATOM 27317 OH2 TIP3 7003 -11.277 17.348 -17.875 1.00 0.00 WAT +ATOM 27318 H1 TIP3 7003 -10.710 16.937 -17.183 1.00 0.00 WAT +ATOM 27319 H2 TIP3 7003 -10.605 17.799 -18.408 1.00 0.00 WAT +ATOM 27320 OH2 TIP3 7004 -22.477 19.927 -15.695 1.00 0.00 WAT +ATOM 27321 H1 TIP3 7004 -21.841 19.423 -15.161 1.00 0.00 WAT +ATOM 27322 H2 TIP3 7004 -22.405 19.471 -16.554 1.00 0.00 WAT +ATOM 27323 OH2 TIP3 7005 -17.129 21.320 -16.159 1.00 0.00 WAT +ATOM 27324 H1 TIP3 7005 -16.386 20.787 -15.812 1.00 0.00 WAT +ATOM 27325 H2 TIP3 7005 -17.588 20.666 -16.719 1.00 0.00 WAT +ATOM 27326 OH2 TIP3 7006 -20.387 16.317 -11.950 1.00 0.00 WAT +ATOM 27327 H1 TIP3 7006 -20.626 16.932 -12.667 1.00 0.00 WAT +ATOM 27328 H2 TIP3 7006 -21.136 16.423 -11.353 1.00 0.00 WAT +ATOM 27329 OH2 TIP3 7007 -12.856 25.734 -18.633 1.00 0.00 WAT +ATOM 27330 H1 TIP3 7007 -13.135 25.552 -19.535 1.00 0.00 WAT +ATOM 27331 H2 TIP3 7007 -13.280 26.592 -18.451 1.00 0.00 WAT +ATOM 27332 OH2 TIP3 7008 -17.408 23.867 -11.907 1.00 0.00 WAT +ATOM 27333 H1 TIP3 7008 -18.139 24.475 -11.668 1.00 0.00 WAT +ATOM 27334 H2 TIP3 7008 -16.772 24.467 -12.339 1.00 0.00 WAT +ATOM 27335 OH2 TIP3 7009 -9.480 16.605 -15.815 1.00 0.00 WAT +ATOM 27336 H1 TIP3 7009 -9.784 15.926 -15.194 1.00 0.00 WAT +ATOM 27337 H2 TIP3 7009 -8.935 17.156 -15.226 1.00 0.00 WAT +ATOM 27338 OH2 TIP3 7010 -20.733 18.025 -14.128 1.00 0.00 WAT +ATOM 27339 H1 TIP3 7010 -20.095 18.618 -13.671 1.00 0.00 WAT +ATOM 27340 H2 TIP3 7010 -20.187 17.755 -14.902 1.00 0.00 WAT +ATOM 27341 OH2 TIP3 7011 -19.459 25.745 -11.250 1.00 0.00 WAT +ATOM 27342 H1 TIP3 7011 -19.437 26.700 -11.453 1.00 0.00 WAT +ATOM 27343 H2 TIP3 7011 -20.270 25.700 -10.710 1.00 0.00 WAT +ATOM 27344 OH2 TIP3 7012 -23.139 25.455 -20.274 1.00 0.00 WAT +ATOM 27345 H1 TIP3 7012 -23.281 25.900 -21.132 1.00 0.00 WAT +ATOM 27346 H2 TIP3 7012 -22.952 26.201 -19.668 1.00 0.00 WAT +ATOM 27347 OH2 TIP3 7013 -9.645 26.896 -13.542 1.00 0.00 WAT +ATOM 27348 H1 TIP3 7013 -10.614 27.014 -13.515 1.00 0.00 WAT +ATOM 27349 H2 TIP3 7013 -9.371 27.763 -13.893 1.00 0.00 WAT +ATOM 27350 OH2 TIP3 7014 -16.340 13.323 -14.866 1.00 0.00 WAT +ATOM 27351 H1 TIP3 7014 -16.531 12.380 -14.743 1.00 0.00 WAT +ATOM 27352 H2 TIP3 7014 -17.173 13.746 -14.571 1.00 0.00 WAT +ATOM 27353 OH2 TIP3 7015 -11.333 28.825 -16.947 1.00 0.00 WAT +ATOM 27354 H1 TIP3 7015 -10.833 28.061 -17.290 1.00 0.00 WAT +ATOM 27355 H2 TIP3 7015 -10.687 29.548 -17.087 1.00 0.00 WAT +ATOM 27356 OH2 TIP3 7016 -9.869 26.660 -18.358 1.00 0.00 WAT +ATOM 27357 H1 TIP3 7016 -10.431 26.234 -19.019 1.00 0.00 WAT +ATOM 27358 H2 TIP3 7016 -9.959 26.046 -17.604 1.00 0.00 WAT +ATOM 27359 OH2 TIP3 7017 -8.419 25.471 -9.866 1.00 0.00 WAT +ATOM 27360 H1 TIP3 7017 -8.491 24.853 -10.615 1.00 0.00 WAT +ATOM 27361 H2 TIP3 7017 -8.295 26.327 -10.319 1.00 0.00 WAT +ATOM 27362 OH2 TIP3 7018 -14.127 22.417 -20.165 1.00 0.00 WAT +ATOM 27363 H1 TIP3 7018 -14.773 23.045 -20.540 1.00 0.00 WAT +ATOM 27364 H2 TIP3 7018 -13.390 22.496 -20.793 1.00 0.00 WAT +ATOM 27365 OH2 TIP3 7019 -13.794 20.533 -23.067 1.00 0.00 WAT +ATOM 27366 H1 TIP3 7019 -13.122 20.908 -22.469 1.00 0.00 WAT +ATOM 27367 H2 TIP3 7019 -13.231 20.069 -23.704 1.00 0.00 WAT +ATOM 27368 OH2 TIP3 7020 -6.414 21.834 -11.732 1.00 0.00 WAT +ATOM 27369 H1 TIP3 7020 -7.259 22.324 -11.764 1.00 0.00 WAT +ATOM 27370 H2 TIP3 7020 -6.047 22.052 -12.611 1.00 0.00 WAT +ATOM 27371 OH2 TIP3 7021 -10.587 22.411 -19.076 1.00 0.00 WAT +ATOM 27372 H1 TIP3 7021 -11.263 22.638 -18.397 1.00 0.00 WAT +ATOM 27373 H2 TIP3 7021 -9.978 21.860 -18.551 1.00 0.00 WAT +ATOM 27374 OH2 TIP3 7022 -10.686 20.876 -10.034 1.00 0.00 WAT +ATOM 27375 H1 TIP3 7022 -10.602 21.732 -9.583 1.00 0.00 WAT +ATOM 27376 H2 TIP3 7022 -11.308 21.125 -10.736 1.00 0.00 WAT +ATOM 27377 OH2 TIP3 7023 -19.067 23.187 -17.250 1.00 0.00 WAT +ATOM 27378 H1 TIP3 7023 -19.333 22.777 -18.098 1.00 0.00 WAT +ATOM 27379 H2 TIP3 7023 -18.370 22.574 -16.950 1.00 0.00 WAT +ATOM 27380 OH2 TIP3 7024 -17.681 26.542 -14.548 1.00 0.00 WAT +ATOM 27381 H1 TIP3 7024 -17.695 26.231 -15.463 1.00 0.00 WAT +ATOM 27382 H2 TIP3 7024 -16.856 26.137 -14.216 1.00 0.00 WAT +ATOM 27383 OH2 TIP3 7025 -18.542 22.030 -13.777 1.00 0.00 WAT +ATOM 27384 H1 TIP3 7025 -17.951 21.990 -14.556 1.00 0.00 WAT +ATOM 27385 H2 TIP3 7025 -18.067 22.644 -13.183 1.00 0.00 WAT +ATOM 27386 OH2 TIP3 7026 -12.465 27.510 -13.231 1.00 0.00 WAT +ATOM 27387 H1 TIP3 7026 -12.438 28.200 -12.546 1.00 0.00 WAT +ATOM 27388 H2 TIP3 7026 -12.668 26.699 -12.733 1.00 0.00 WAT +ATOM 27389 OH2 TIP3 7027 -17.568 26.334 -8.941 1.00 0.00 WAT +ATOM 27390 H1 TIP3 7027 -18.092 27.023 -8.487 1.00 0.00 WAT +ATOM 27391 H2 TIP3 7027 -18.187 26.062 -9.641 1.00 0.00 WAT +ATOM 27392 OH2 TIP3 7028 -11.637 21.865 -21.621 1.00 0.00 WAT +ATOM 27393 H1 TIP3 7028 -11.170 22.150 -20.808 1.00 0.00 WAT +ATOM 27394 H2 TIP3 7028 -11.138 22.377 -22.306 1.00 0.00 WAT +ATOM 27395 OH2 TIP3 7029 -20.658 22.762 -9.918 1.00 0.00 WAT +ATOM 27396 H1 TIP3 7029 -20.575 23.261 -9.085 1.00 0.00 WAT +ATOM 27397 H2 TIP3 7029 -21.609 22.564 -9.929 1.00 0.00 WAT +ATOM 27398 OH2 TIP3 7030 -14.144 28.484 -18.047 1.00 0.00 WAT +ATOM 27399 H1 TIP3 7030 -13.684 28.761 -17.243 1.00 0.00 WAT +ATOM 27400 H2 TIP3 7030 -14.757 29.210 -18.203 1.00 0.00 WAT +ATOM 27401 OH2 TIP3 7031 -19.434 28.447 -8.176 1.00 0.00 WAT +ATOM 27402 H1 TIP3 7031 -19.583 28.567 -9.128 1.00 0.00 WAT +ATOM 27403 H2 TIP3 7031 -20.327 28.251 -7.833 1.00 0.00 WAT +ATOM 27404 OH2 TIP3 7032 -8.236 13.621 -22.174 1.00 0.00 WAT +ATOM 27405 H1 TIP3 7032 -9.062 13.728 -21.667 1.00 0.00 WAT +ATOM 27406 H2 TIP3 7032 -7.831 14.499 -22.092 1.00 0.00 WAT +ATOM 27407 OH2 TIP3 7033 -20.082 21.964 -19.781 1.00 0.00 WAT +ATOM 27408 H1 TIP3 7033 -20.276 22.712 -20.377 1.00 0.00 WAT +ATOM 27409 H2 TIP3 7033 -20.721 21.304 -20.080 1.00 0.00 WAT +ATOM 27410 OH2 TIP3 7034 -6.807 27.738 -23.589 1.00 0.00 WAT +ATOM 27411 H1 TIP3 7034 -6.666 28.679 -23.361 1.00 0.00 WAT +ATOM 27412 H2 TIP3 7034 -5.939 27.350 -23.371 1.00 0.00 WAT +ATOM 27413 OH2 TIP3 7035 -23.981 24.531 -11.450 1.00 0.00 WAT +ATOM 27414 H1 TIP3 7035 -24.788 24.255 -11.898 1.00 0.00 WAT +ATOM 27415 H2 TIP3 7035 -23.757 23.715 -10.967 1.00 0.00 WAT +ATOM 27416 OH2 TIP3 7036 -5.602 28.126 -8.377 1.00 0.00 WAT +ATOM 27417 H1 TIP3 7036 -5.719 27.167 -8.480 1.00 0.00 WAT +ATOM 27418 H2 TIP3 7036 -6.485 28.379 -8.026 1.00 0.00 WAT +ATOM 27419 OH2 TIP3 7037 -14.911 27.360 -9.525 1.00 0.00 WAT +ATOM 27420 H1 TIP3 7037 -14.820 28.198 -9.023 1.00 0.00 WAT +ATOM 27421 H2 TIP3 7037 -15.823 27.092 -9.298 1.00 0.00 WAT +ATOM 27422 OH2 TIP3 7038 -20.809 30.280 -17.997 1.00 0.00 WAT +ATOM 27423 H1 TIP3 7038 -20.668 29.907 -17.105 1.00 0.00 WAT +ATOM 27424 H2 TIP3 7038 -21.695 29.966 -18.215 1.00 0.00 WAT +ATOM 27425 OH2 TIP3 7039 -11.242 30.644 -22.413 1.00 0.00 WAT +ATOM 27426 H1 TIP3 7039 -10.722 29.930 -22.825 1.00 0.00 WAT +ATOM 27427 H2 TIP3 7039 -11.393 30.296 -21.511 1.00 0.00 WAT +ATOM 27428 OH2 TIP3 7040 -11.997 30.045 -19.628 1.00 0.00 WAT +ATOM 27429 H1 TIP3 7040 -12.925 30.266 -19.487 1.00 0.00 WAT +ATOM 27430 H2 TIP3 7040 -11.868 29.371 -18.939 1.00 0.00 WAT +ATOM 27431 OH2 TIP3 7041 -21.814 26.144 -9.766 1.00 0.00 WAT +ATOM 27432 H1 TIP3 7041 -21.534 25.680 -8.948 1.00 0.00 WAT +ATOM 27433 H2 TIP3 7041 -22.484 25.556 -10.140 1.00 0.00 WAT +ATOM 27434 OH2 TIP3 7042 -18.639 14.758 -14.218 1.00 0.00 WAT +ATOM 27435 H1 TIP3 7042 -19.454 14.263 -14.320 1.00 0.00 WAT +ATOM 27436 H2 TIP3 7042 -18.957 15.667 -14.135 1.00 0.00 WAT +ATOM 27437 OH2 TIP3 7043 -14.305 13.960 -10.159 1.00 0.00 WAT +ATOM 27438 H1 TIP3 7043 -13.786 13.687 -9.380 1.00 0.00 WAT +ATOM 27439 H2 TIP3 7043 -15.164 13.562 -9.952 1.00 0.00 WAT +ATOM 27440 OH2 TIP3 7044 -11.436 17.901 -9.616 1.00 0.00 WAT +ATOM 27441 H1 TIP3 7044 -11.447 17.722 -8.668 1.00 0.00 WAT +ATOM 27442 H2 TIP3 7044 -11.111 18.817 -9.674 1.00 0.00 WAT +ATOM 27443 OH2 TIP3 7045 -10.080 22.914 -23.619 1.00 0.00 WAT +ATOM 27444 H1 TIP3 7045 -10.275 22.774 -24.565 1.00 0.00 WAT +ATOM 27445 H2 TIP3 7045 -9.153 23.207 -23.664 1.00 0.00 WAT +ATOM 27446 OH2 TIP3 7046 -14.522 16.458 -23.259 1.00 0.00 WAT +ATOM 27447 H1 TIP3 7046 -14.946 16.684 -22.420 1.00 0.00 WAT +ATOM 27448 H2 TIP3 7046 -15.068 15.716 -23.526 1.00 0.00 WAT +ATOM 27449 OH2 TIP3 7047 -18.809 19.388 -12.647 1.00 0.00 WAT +ATOM 27450 H1 TIP3 7047 -19.336 19.495 -11.836 1.00 0.00 WAT +ATOM 27451 H2 TIP3 7047 -18.711 20.313 -12.955 1.00 0.00 WAT +ATOM 27452 OH2 TIP3 7048 -18.824 19.584 -17.803 1.00 0.00 WAT +ATOM 27453 H1 TIP3 7048 -19.778 19.496 -17.985 1.00 0.00 WAT +ATOM 27454 H2 TIP3 7048 -18.458 19.348 -18.679 1.00 0.00 WAT +ATOM 27455 OH2 TIP3 7049 -13.226 20.057 -18.974 1.00 0.00 WAT +ATOM 27456 H1 TIP3 7049 -13.630 20.888 -19.306 1.00 0.00 WAT +ATOM 27457 H2 TIP3 7049 -12.528 19.914 -19.634 1.00 0.00 WAT +ATOM 27458 OH2 TIP3 7050 -14.043 20.273 -7.526 1.00 0.00 WAT +ATOM 27459 H1 TIP3 7050 -14.510 19.442 -7.279 1.00 0.00 WAT +ATOM 27460 H2 TIP3 7050 -13.156 20.117 -7.155 1.00 0.00 WAT +ATOM 27461 OH2 TIP3 7051 -12.361 19.455 -16.180 1.00 0.00 WAT +ATOM 27462 H1 TIP3 7051 -12.643 20.032 -16.917 1.00 0.00 WAT +ATOM 27463 H2 TIP3 7051 -12.131 18.649 -16.684 1.00 0.00 WAT +ATOM 27464 OH2 TIP3 7052 -21.454 19.443 -10.840 1.00 0.00 WAT +ATOM 27465 H1 TIP3 7052 -21.152 19.773 -9.983 1.00 0.00 WAT +ATOM 27466 H2 TIP3 7052 -22.137 18.805 -10.592 1.00 0.00 WAT +ATOM 27467 OH2 TIP3 7053 -17.897 16.938 -24.208 1.00 0.00 WAT +ATOM 27468 H1 TIP3 7053 -18.330 16.630 -23.388 1.00 0.00 WAT +ATOM 27469 H2 TIP3 7053 -18.650 17.272 -24.711 1.00 0.00 WAT +ATOM 27470 OH2 TIP3 7054 -24.466 17.105 -17.078 1.00 0.00 WAT +ATOM 27471 H1 TIP3 7054 -23.863 16.857 -16.354 1.00 0.00 WAT +ATOM 27472 H2 TIP3 7054 -24.087 16.661 -17.854 1.00 0.00 WAT +ATOM 27473 OH2 TIP3 7055 -22.971 17.476 -21.434 1.00 0.00 WAT +ATOM 27474 H1 TIP3 7055 -22.428 17.964 -22.087 1.00 0.00 WAT +ATOM 27475 H2 TIP3 7055 -23.679 18.121 -21.262 1.00 0.00 WAT +ATOM 27476 OH2 TIP3 7056 -13.200 21.147 -11.667 1.00 0.00 WAT +ATOM 27477 H1 TIP3 7056 -12.776 20.428 -12.190 1.00 0.00 WAT +ATOM 27478 H2 TIP3 7056 -13.533 20.657 -10.905 1.00 0.00 WAT +ATOM 27479 OH2 TIP3 7057 -16.047 17.063 -16.711 1.00 0.00 WAT +ATOM 27480 H1 TIP3 7057 -16.995 17.057 -16.500 1.00 0.00 WAT +ATOM 27481 H2 TIP3 7057 -15.652 16.871 -15.844 1.00 0.00 WAT +ATOM 27482 OH2 TIP3 7058 -21.444 18.321 -18.097 1.00 0.00 WAT +ATOM 27483 H1 TIP3 7058 -22.288 18.541 -18.525 1.00 0.00 WAT +ATOM 27484 H2 TIP3 7058 -21.192 17.482 -18.531 1.00 0.00 WAT +ATOM 27485 OH2 TIP3 7059 -17.836 18.636 -20.346 1.00 0.00 WAT +ATOM 27486 H1 TIP3 7059 -16.870 18.745 -20.300 1.00 0.00 WAT +ATOM 27487 H2 TIP3 7059 -18.105 19.215 -21.081 1.00 0.00 WAT +ATOM 27488 OH2 TIP3 7060 -11.683 16.176 -13.692 1.00 0.00 WAT +ATOM 27489 H1 TIP3 7060 -12.374 16.297 -13.006 1.00 0.00 WAT +ATOM 27490 H2 TIP3 7060 -12.219 15.881 -14.445 1.00 0.00 WAT +ATOM 27491 OH2 TIP3 7061 -19.364 19.820 -22.593 1.00 0.00 WAT +ATOM 27492 H1 TIP3 7061 -19.965 19.607 -23.327 1.00 0.00 WAT +ATOM 27493 H2 TIP3 7061 -18.571 20.083 -23.092 1.00 0.00 WAT +ATOM 27494 OH2 TIP3 7062 -8.654 31.994 -7.024 1.00 0.00 WAT +ATOM 27495 H1 TIP3 7062 -8.441 32.459 -7.850 1.00 0.00 WAT +ATOM 27496 H2 TIP3 7062 -7.955 32.317 -6.430 1.00 0.00 WAT +ATOM 27497 OH2 TIP3 7063 -20.731 24.624 -7.590 1.00 0.00 WAT +ATOM 27498 H1 TIP3 7063 -20.069 24.739 -6.880 1.00 0.00 WAT +ATOM 27499 H2 TIP3 7063 -21.541 24.586 -7.043 1.00 0.00 WAT +ATOM 27500 OH2 TIP3 7064 -15.053 19.613 -14.917 1.00 0.00 WAT +ATOM 27501 H1 TIP3 7064 -14.284 19.211 -15.348 1.00 0.00 WAT +ATOM 27502 H2 TIP3 7064 -15.190 19.018 -14.154 1.00 0.00 WAT +ATOM 27503 OH2 TIP3 7065 -19.854 15.955 -18.702 1.00 0.00 WAT +ATOM 27504 H1 TIP3 7065 -20.331 15.147 -18.439 1.00 0.00 WAT +ATOM 27505 H2 TIP3 7065 -19.050 15.596 -19.099 1.00 0.00 WAT +ATOM 27506 OH2 TIP3 7066 -16.029 18.095 -12.637 1.00 0.00 WAT +ATOM 27507 H1 TIP3 7066 -16.826 18.648 -12.632 1.00 0.00 WAT +ATOM 27508 H2 TIP3 7066 -15.567 18.371 -11.819 1.00 0.00 WAT +ATOM 27509 OH2 TIP3 7067 -15.938 24.490 -20.767 1.00 0.00 WAT +ATOM 27510 H1 TIP3 7067 -16.706 23.988 -21.114 1.00 0.00 WAT +ATOM 27511 H2 TIP3 7067 -16.126 24.528 -19.803 1.00 0.00 WAT +ATOM 27512 OH2 TIP3 7068 -8.694 23.596 -12.012 1.00 0.00 WAT +ATOM 27513 H1 TIP3 7068 -8.187 24.139 -12.654 1.00 0.00 WAT +ATOM 27514 H2 TIP3 7068 -9.547 23.499 -12.480 1.00 0.00 WAT +ATOM 27515 OH2 TIP3 7069 -11.828 17.287 -22.975 1.00 0.00 WAT +ATOM 27516 H1 TIP3 7069 -12.805 17.301 -23.032 1.00 0.00 WAT +ATOM 27517 H2 TIP3 7069 -11.621 18.033 -22.373 1.00 0.00 WAT +ATOM 27518 OH2 TIP3 7070 -14.306 24.470 -9.438 1.00 0.00 WAT +ATOM 27519 H1 TIP3 7070 -14.571 24.176 -8.557 1.00 0.00 WAT +ATOM 27520 H2 TIP3 7070 -14.567 25.405 -9.436 1.00 0.00 WAT +ATOM 27521 OH2 TIP3 7071 -11.089 19.112 -20.964 1.00 0.00 WAT +ATOM 27522 H1 TIP3 7071 -10.222 18.954 -20.541 1.00 0.00 WAT +ATOM 27523 H2 TIP3 7071 -10.977 20.006 -21.337 1.00 0.00 WAT +ATOM 27524 OH2 TIP3 7072 -20.876 23.883 -14.995 1.00 0.00 WAT +ATOM 27525 H1 TIP3 7072 -20.214 23.755 -15.708 1.00 0.00 WAT +ATOM 27526 H2 TIP3 7072 -20.793 23.033 -14.519 1.00 0.00 WAT +ATOM 27527 OH2 TIP3 7073 -13.515 25.799 -21.800 1.00 0.00 WAT +ATOM 27528 H1 TIP3 7073 -13.784 26.676 -21.461 1.00 0.00 WAT +ATOM 27529 H2 TIP3 7073 -14.292 25.266 -21.553 1.00 0.00 WAT +ATOM 27530 OH2 TIP3 7074 -23.531 22.184 -9.636 1.00 0.00 WAT +ATOM 27531 H1 TIP3 7074 -23.373 21.749 -8.771 1.00 0.00 WAT +ATOM 27532 H2 TIP3 7074 -24.107 21.544 -10.084 1.00 0.00 WAT +ATOM 27533 OH2 TIP3 7075 -16.540 21.718 -7.687 1.00 0.00 WAT +ATOM 27534 H1 TIP3 7075 -16.895 21.435 -8.546 1.00 0.00 WAT +ATOM 27535 H2 TIP3 7075 -15.636 21.361 -7.738 1.00 0.00 WAT +ATOM 27536 OH2 TIP3 7076 -12.012 27.023 -9.957 1.00 0.00 WAT +ATOM 27537 H1 TIP3 7076 -12.972 27.156 -10.017 1.00 0.00 WAT +ATOM 27538 H2 TIP3 7076 -11.829 27.309 -9.047 1.00 0.00 WAT +ATOM 27539 OH2 TIP3 7077 -6.500 19.120 -21.174 1.00 0.00 WAT +ATOM 27540 H1 TIP3 7077 -7.053 18.924 -21.955 1.00 0.00 WAT +ATOM 27541 H2 TIP3 7077 -6.380 20.081 -21.317 1.00 0.00 WAT +ATOM 27542 OH2 TIP3 7078 -6.080 25.122 -8.451 1.00 0.00 WAT +ATOM 27543 H1 TIP3 7078 -7.025 25.339 -8.609 1.00 0.00 WAT +ATOM 27544 H2 TIP3 7078 -5.761 25.027 -9.371 1.00 0.00 WAT +ATOM 27545 OH2 TIP3 7079 -8.306 27.727 -21.103 1.00 0.00 WAT +ATOM 27546 H1 TIP3 7079 -8.501 26.961 -20.545 1.00 0.00 WAT +ATOM 27547 H2 TIP3 7079 -7.746 27.360 -21.801 1.00 0.00 WAT +ATOM 27548 OH2 TIP3 7080 -11.022 23.069 -13.722 1.00 0.00 WAT +ATOM 27549 H1 TIP3 7080 -11.958 22.912 -13.946 1.00 0.00 WAT +ATOM 27550 H2 TIP3 7080 -10.590 22.333 -14.197 1.00 0.00 WAT +ATOM 27551 OH2 TIP3 7081 -18.439 27.169 -17.633 1.00 0.00 WAT +ATOM 27552 H1 TIP3 7081 -17.961 28.001 -17.789 1.00 0.00 WAT +ATOM 27553 H2 TIP3 7081 -19.313 27.401 -17.968 1.00 0.00 WAT +ATOM 27554 OH2 TIP3 7082 -22.404 21.938 -23.031 1.00 0.00 WAT +ATOM 27555 H1 TIP3 7082 -21.830 22.636 -22.668 1.00 0.00 WAT +ATOM 27556 H2 TIP3 7082 -23.285 22.256 -22.764 1.00 0.00 WAT +ATOM 27557 OH2 TIP3 7083 -16.575 24.830 -18.043 1.00 0.00 WAT +ATOM 27558 H1 TIP3 7083 -16.840 25.754 -17.913 1.00 0.00 WAT +ATOM 27559 H2 TIP3 7083 -17.297 24.357 -17.609 1.00 0.00 WAT +ATOM 27560 OH2 TIP3 7084 -16.408 29.091 -11.695 1.00 0.00 WAT +ATOM 27561 H1 TIP3 7084 -15.874 29.855 -11.976 1.00 0.00 WAT +ATOM 27562 H2 TIP3 7084 -15.776 28.622 -11.128 1.00 0.00 WAT +ATOM 27563 OH2 TIP3 7085 -17.924 30.039 -18.459 1.00 0.00 WAT +ATOM 27564 H1 TIP3 7085 -18.882 30.198 -18.469 1.00 0.00 WAT +ATOM 27565 H2 TIP3 7085 -17.607 30.944 -18.263 1.00 0.00 WAT +ATOM 27566 OH2 TIP3 7086 -12.986 24.831 -12.112 1.00 0.00 WAT +ATOM 27567 H1 TIP3 7086 -13.276 24.565 -11.222 1.00 0.00 WAT +ATOM 27568 H2 TIP3 7086 -12.248 24.223 -12.277 1.00 0.00 WAT +ATOM 27569 OH2 TIP3 7087 -10.831 26.123 -23.212 1.00 0.00 WAT +ATOM 27570 H1 TIP3 7087 -10.407 25.691 -22.448 1.00 0.00 WAT +ATOM 27571 H2 TIP3 7087 -11.761 26.003 -22.957 1.00 0.00 WAT +ATOM 27572 OH2 TIP3 7088 -10.054 29.405 -9.739 1.00 0.00 WAT +ATOM 27573 H1 TIP3 7088 -10.816 28.972 -10.167 1.00 0.00 WAT +ATOM 27574 H2 TIP3 7088 -9.948 30.213 -10.274 1.00 0.00 WAT +ATOM 27575 OH2 TIP3 7089 -6.083 30.405 -22.696 1.00 0.00 WAT +ATOM 27576 H1 TIP3 7089 -5.413 31.071 -22.923 1.00 0.00 WAT +ATOM 27577 H2 TIP3 7089 -6.862 30.989 -22.630 1.00 0.00 WAT +ATOM 27578 OH2 TIP3 7090 -9.857 24.751 -20.828 1.00 0.00 WAT +ATOM 27579 H1 TIP3 7090 -10.122 24.040 -20.221 1.00 0.00 WAT +ATOM 27580 H2 TIP3 7090 -8.890 24.751 -20.728 1.00 0.00 WAT +ATOM 27581 OH2 TIP3 7091 -22.443 28.516 -11.676 1.00 0.00 WAT +ATOM 27582 H1 TIP3 7091 -22.101 27.637 -11.472 1.00 0.00 WAT +ATOM 27583 H2 TIP3 7091 -22.275 28.983 -10.850 1.00 0.00 WAT +ATOM 27584 OH2 TIP3 7092 -16.619 27.173 -24.653 1.00 0.00 WAT +ATOM 27585 H1 TIP3 7092 -16.328 26.375 -25.129 1.00 0.00 WAT +ATOM 27586 H2 TIP3 7092 -17.038 26.796 -23.865 1.00 0.00 WAT +ATOM 27587 OH2 TIP3 7093 -17.792 26.837 -21.801 1.00 0.00 WAT +ATOM 27588 H1 TIP3 7093 -17.196 26.311 -21.249 1.00 0.00 WAT +ATOM 27589 H2 TIP3 7093 -17.522 27.751 -21.588 1.00 0.00 WAT +ATOM 27590 OH2 TIP3 7094 -20.898 24.161 -21.499 1.00 0.00 WAT +ATOM 27591 H1 TIP3 7094 -21.637 24.568 -21.009 1.00 0.00 WAT +ATOM 27592 H2 TIP3 7094 -20.441 24.954 -21.834 1.00 0.00 WAT +ATOM 27593 OH2 TIP3 7095 -13.132 16.458 -11.439 1.00 0.00 WAT +ATOM 27594 H1 TIP3 7095 -12.613 16.836 -10.703 1.00 0.00 WAT +ATOM 27595 H2 TIP3 7095 -13.710 15.809 -11.001 1.00 0.00 WAT +ATOM 27596 OH2 TIP3 7096 -12.582 16.053 -20.259 1.00 0.00 WAT +ATOM 27597 H1 TIP3 7096 -12.380 16.615 -21.024 1.00 0.00 WAT +ATOM 27598 H2 TIP3 7096 -12.166 16.551 -19.534 1.00 0.00 WAT +ATOM 27599 OH2 TIP3 7097 -14.927 28.291 -21.271 1.00 0.00 WAT +ATOM 27600 H1 TIP3 7097 -15.685 28.883 -21.123 1.00 0.00 WAT +ATOM 27601 H2 TIP3 7097 -14.378 28.871 -21.818 1.00 0.00 WAT +ATOM 27602 OH2 TIP3 7098 -15.173 18.052 -19.294 1.00 0.00 WAT +ATOM 27603 H1 TIP3 7098 -14.433 18.679 -19.151 1.00 0.00 WAT +ATOM 27604 H2 TIP3 7098 -15.468 17.889 -18.377 1.00 0.00 WAT +ATOM 27605 OH2 TIP3 7099 -14.813 18.959 -10.150 1.00 0.00 WAT +ATOM 27606 H1 TIP3 7099 -14.779 19.468 -9.325 1.00 0.00 WAT +ATOM 27607 H2 TIP3 7099 -14.240 18.210 -9.948 1.00 0.00 WAT +ATOM 27608 OH2 TIP3 7100 -14.600 15.066 -18.334 1.00 0.00 WAT +ATOM 27609 H1 TIP3 7100 -14.823 15.750 -17.673 1.00 0.00 WAT +ATOM 27610 H2 TIP3 7100 -13.873 15.501 -18.818 1.00 0.00 WAT +ATOM 27611 OH2 TIP3 7101 -17.469 29.701 -21.380 1.00 0.00 WAT +ATOM 27612 H1 TIP3 7101 -17.343 30.543 -21.852 1.00 0.00 WAT +ATOM 27613 H2 TIP3 7101 -17.641 30.032 -20.482 1.00 0.00 WAT +ATOM 27614 OH2 TIP3 7102 -18.895 16.117 -21.787 1.00 0.00 WAT +ATOM 27615 H1 TIP3 7102 -18.880 16.897 -21.205 1.00 0.00 WAT +ATOM 27616 H2 TIP3 7102 -18.089 15.650 -21.500 1.00 0.00 WAT +ATOM 27617 OH2 TIP3 7103 -8.190 16.832 -9.680 1.00 0.00 WAT +ATOM 27618 H1 TIP3 7103 -9.120 17.021 -9.545 1.00 0.00 WAT +ATOM 27619 H2 TIP3 7103 -8.065 17.029 -10.614 1.00 0.00 WAT +ATOM 27620 OH2 TIP3 7104 -10.004 20.780 -15.203 1.00 0.00 WAT +ATOM 27621 H1 TIP3 7104 -10.823 20.330 -15.477 1.00 0.00 WAT +ATOM 27622 H2 TIP3 7104 -9.524 20.065 -14.727 1.00 0.00 WAT +ATOM 27623 OH2 TIP3 7105 -20.492 26.927 -22.742 1.00 0.00 WAT +ATOM 27624 H1 TIP3 7105 -19.759 27.438 -22.354 1.00 0.00 WAT +ATOM 27625 H2 TIP3 7105 -20.004 26.473 -23.448 1.00 0.00 WAT +ATOM 27626 OH2 TIP3 7106 -22.341 19.157 -23.629 1.00 0.00 WAT +ATOM 27627 H1 TIP3 7106 -22.231 20.099 -23.394 1.00 0.00 WAT +ATOM 27628 H2 TIP3 7106 -23.201 19.153 -24.064 1.00 0.00 WAT +ATOM 27629 OH2 TIP3 7107 -8.988 29.667 -13.830 1.00 0.00 WAT +ATOM 27630 H1 TIP3 7107 -9.190 30.471 -14.350 1.00 0.00 WAT +ATOM 27631 H2 TIP3 7107 -8.059 29.833 -13.609 1.00 0.00 WAT +ATOM 27632 OH2 TIP3 7108 -22.575 27.627 -18.520 1.00 0.00 WAT +ATOM 27633 H1 TIP3 7108 -23.315 28.234 -18.387 1.00 0.00 WAT +ATOM 27634 H2 TIP3 7108 -22.065 28.120 -19.183 1.00 0.00 WAT +ATOM 27635 OH2 TIP3 7109 -23.102 30.578 -7.432 1.00 0.00 WAT +ATOM 27636 H1 TIP3 7109 -22.535 30.308 -6.683 1.00 0.00 WAT +ATOM 27637 H2 TIP3 7109 -23.501 29.727 -7.695 1.00 0.00 WAT +ATOM 27638 OH2 TIP3 7110 -18.485 29.620 -5.636 1.00 0.00 WAT +ATOM 27639 H1 TIP3 7110 -17.751 29.037 -5.386 1.00 0.00 WAT +ATOM 27640 H2 TIP3 7110 -18.631 29.367 -6.561 1.00 0.00 WAT +ATOM 27641 OH2 TIP3 7111 -14.363 28.821 -24.228 1.00 0.00 WAT +ATOM 27642 H1 TIP3 7111 -15.151 28.239 -24.241 1.00 0.00 WAT +ATOM 27643 H2 TIP3 7111 -13.698 28.214 -24.582 1.00 0.00 WAT +ATOM 27644 OH2 TIP3 7112 -11.970 27.885 -7.082 1.00 0.00 WAT +ATOM 27645 H1 TIP3 7112 -12.339 27.093 -6.662 1.00 0.00 WAT +ATOM 27646 H2 TIP3 7112 -11.273 28.148 -6.452 1.00 0.00 WAT +ATOM 27647 OH2 TIP3 7113 -9.740 28.781 -24.038 1.00 0.00 WAT +ATOM 27648 H1 TIP3 7113 -9.560 27.983 -23.516 1.00 0.00 WAT +ATOM 27649 H2 TIP3 7113 -8.946 28.847 -24.597 1.00 0.00 WAT +ATOM 27650 OH2 TIP3 7114 -23.151 24.251 -6.308 1.00 0.00 WAT +ATOM 27651 H1 TIP3 7114 -23.068 23.322 -6.577 1.00 0.00 WAT +ATOM 27652 H2 TIP3 7114 -23.940 24.525 -6.813 1.00 0.00 WAT +ATOM 27653 OH2 TIP3 7115 -18.948 24.647 -24.267 1.00 0.00 WAT +ATOM 27654 H1 TIP3 7115 -18.762 24.032 -23.539 1.00 0.00 WAT +ATOM 27655 H2 TIP3 7115 -18.099 24.628 -24.747 1.00 0.00 WAT +ATOM 27656 OH2 TIP3 7116 -16.487 24.469 -6.917 1.00 0.00 WAT +ATOM 27657 H1 TIP3 7116 -16.791 24.815 -7.774 1.00 0.00 WAT +ATOM 27658 H2 TIP3 7116 -16.430 23.506 -7.084 1.00 0.00 WAT +ATOM 27659 OH2 TIP3 7117 -13.710 25.951 -24.678 1.00 0.00 WAT +ATOM 27660 H1 TIP3 7117 -13.751 25.909 -23.708 1.00 0.00 WAT +ATOM 27661 H2 TIP3 7117 -13.758 24.996 -24.894 1.00 0.00 WAT +ATOM 27662 OH2 TIP3 7118 -11.138 23.957 -9.455 1.00 0.00 WAT +ATOM 27663 H1 TIP3 7118 -10.370 24.496 -9.705 1.00 0.00 WAT +ATOM 27664 H2 TIP3 7118 -11.851 24.611 -9.541 1.00 0.00 WAT +ATOM 27665 OH2 TIP3 7119 -22.237 21.389 -7.165 1.00 0.00 WAT +ATOM 27666 H1 TIP3 7119 -21.553 20.699 -7.109 1.00 0.00 WAT +ATOM 27667 H2 TIP3 7119 -22.362 21.560 -6.216 1.00 0.00 WAT +ATOM 27668 OH2 TIP3 7120 -17.860 22.706 -21.955 1.00 0.00 WAT +ATOM 27669 H1 TIP3 7120 -18.465 22.197 -21.398 1.00 0.00 WAT +ATOM 27670 H2 TIP3 7120 -17.562 22.026 -22.592 1.00 0.00 WAT +ATOM 27671 OH2 TIP3 7121 -18.658 20.466 -9.755 1.00 0.00 WAT +ATOM 27672 H1 TIP3 7121 -19.157 21.256 -9.484 1.00 0.00 WAT +ATOM 27673 H2 TIP3 7121 -17.974 20.851 -10.332 1.00 0.00 WAT +ATOM 27674 OH2 TIP3 7122 -16.916 20.712 -23.701 1.00 0.00 WAT +ATOM 27675 H1 TIP3 7122 -16.967 20.812 -24.671 1.00 0.00 WAT +ATOM 27676 H2 TIP3 7122 -15.953 20.700 -23.558 1.00 0.00 WAT +ATOM 27677 OH2 TIP3 7123 -13.250 23.267 -6.082 1.00 0.00 WAT +ATOM 27678 H1 TIP3 7123 -12.405 23.015 -6.491 1.00 0.00 WAT +ATOM 27679 H2 TIP3 7123 -13.624 22.407 -5.847 1.00 0.00 WAT +ATOM 27680 OH2 TIP3 7124 -7.382 23.245 -24.368 1.00 0.00 WAT +ATOM 27681 H1 TIP3 7124 -7.492 22.836 -25.238 1.00 0.00 WAT +ATOM 27682 H2 TIP3 7124 -7.503 24.194 -24.595 1.00 0.00 WAT +ATOM 27683 OH2 TIP3 7125 -18.061 17.760 -8.592 1.00 0.00 WAT +ATOM 27684 H1 TIP3 7125 -17.921 17.109 -9.303 1.00 0.00 WAT +ATOM 27685 H2 TIP3 7125 -18.214 18.578 -9.096 1.00 0.00 WAT +ATOM 27686 OH2 TIP3 7126 -17.656 16.189 -11.081 1.00 0.00 WAT +ATOM 27687 H1 TIP3 7126 -17.107 16.665 -11.733 1.00 0.00 WAT +ATOM 27688 H2 TIP3 7126 -18.551 16.257 -11.469 1.00 0.00 WAT +ATOM 27689 OH2 TIP3 7127 -16.154 21.670 -10.737 1.00 0.00 WAT +ATOM 27690 H1 TIP3 7127 -15.299 21.606 -11.188 1.00 0.00 WAT +ATOM 27691 H2 TIP3 7127 -16.445 22.561 -11.012 1.00 0.00 WAT +ATOM 27692 OH2 TIP3 7128 -11.634 19.622 -5.877 1.00 0.00 WAT +ATOM 27693 H1 TIP3 7128 -11.250 18.736 -5.765 1.00 0.00 WAT +ATOM 27694 H2 TIP3 7128 -10.830 20.138 -6.026 1.00 0.00 WAT +ATOM 27695 OH2 TIP3 7129 -10.576 22.379 -7.208 1.00 0.00 WAT +ATOM 27696 H1 TIP3 7129 -10.869 23.008 -7.897 1.00 0.00 WAT +ATOM 27697 H2 TIP3 7129 -9.648 22.263 -7.478 1.00 0.00 WAT +ATOM 27698 OH2 TIP3 7130 -19.816 19.571 -6.752 1.00 0.00 WAT +ATOM 27699 H1 TIP3 7130 -20.423 18.816 -6.711 1.00 0.00 WAT +ATOM 27700 H2 TIP3 7130 -19.034 19.198 -7.185 1.00 0.00 WAT +ATOM 27701 OH2 TIP3 7131 -17.411 13.371 -10.537 1.00 0.00 WAT +ATOM 27702 H1 TIP3 7131 -17.199 14.313 -10.435 1.00 0.00 WAT +ATOM 27703 H2 TIP3 7131 -17.706 13.348 -11.445 1.00 0.00 WAT +ATOM 27704 OH2 TIP3 7132 -15.513 18.041 -7.073 1.00 0.00 WAT +ATOM 27705 H1 TIP3 7132 -15.790 17.808 -6.170 1.00 0.00 WAT +ATOM 27706 H2 TIP3 7132 -16.310 17.786 -7.569 1.00 0.00 WAT +ATOM 27707 OH2 TIP3 7133 -21.405 16.902 -7.045 1.00 0.00 WAT +ATOM 27708 H1 TIP3 7133 -21.140 16.103 -7.503 1.00 0.00 WAT +ATOM 27709 H2 TIP3 7133 -21.411 16.575 -6.116 1.00 0.00 WAT +ATOM 27710 OH2 TIP3 7134 -16.787 14.576 -5.850 1.00 0.00 WAT +ATOM 27711 H1 TIP3 7134 -16.306 14.169 -6.581 1.00 0.00 WAT +ATOM 27712 H2 TIP3 7134 -16.909 15.504 -6.092 1.00 0.00 WAT +ATOM 27713 OH2 TIP3 7135 -23.225 26.321 -22.996 1.00 0.00 WAT +ATOM 27714 H1 TIP3 7135 -22.274 26.563 -22.935 1.00 0.00 WAT +ATOM 27715 H2 TIP3 7135 -23.204 25.598 -23.653 1.00 0.00 WAT +ATOM 27716 OH2 TIP3 7136 -24.222 31.525 -18.334 1.00 0.00 WAT +ATOM 27717 H1 TIP3 7136 -24.954 31.168 -18.871 1.00 0.00 WAT +ATOM 27718 H2 TIP3 7136 -24.153 30.869 -17.617 1.00 0.00 WAT +ATOM 27719 OH2 TIP3 7137 -23.840 29.536 -16.278 1.00 0.00 WAT +ATOM 27720 H1 TIP3 7137 -24.272 28.749 -15.938 1.00 0.00 WAT +ATOM 27721 H2 TIP3 7137 -23.470 29.916 -15.460 1.00 0.00 WAT +ATOM 27722 OH2 TIP3 7138 -6.152 30.708 -13.359 1.00 0.00 WAT +ATOM 27723 H1 TIP3 7138 -6.114 30.814 -12.395 1.00 0.00 WAT +ATOM 27724 H2 TIP3 7138 -5.445 31.297 -13.645 1.00 0.00 WAT +ATOM 27725 OH2 TIP3 7139 -6.390 30.281 -10.478 1.00 0.00 WAT +ATOM 27726 H1 TIP3 7139 -6.916 29.533 -10.815 1.00 0.00 WAT +ATOM 27727 H2 TIP3 7139 -5.871 29.829 -9.793 1.00 0.00 WAT +ATOM 27728 OH2 TIP3 7140 -8.519 25.744 -6.107 1.00 0.00 WAT +ATOM 27729 H1 TIP3 7140 -9.224 25.695 -5.458 1.00 0.00 WAT +ATOM 27730 H2 TIP3 7140 -7.964 26.468 -5.763 1.00 0.00 WAT +ATOM 27731 OH2 TIP3 7141 -6.957 24.624 -20.439 1.00 0.00 WAT +ATOM 27732 H1 TIP3 7141 -6.068 24.973 -20.241 1.00 0.00 WAT +ATOM 27733 H2 TIP3 7141 -7.062 23.994 -19.705 1.00 0.00 WAT +ATOM 27734 OH2 TIP3 7142 -6.494 22.575 -18.420 1.00 0.00 WAT +ATOM 27735 H1 TIP3 7142 -7.200 22.028 -18.025 1.00 0.00 WAT +ATOM 27736 H2 TIP3 7142 -5.843 22.653 -17.700 1.00 0.00 WAT +ATOM 27737 OH2 TIP3 7143 -6.795 25.050 -13.453 1.00 0.00 WAT +ATOM 27738 H1 TIP3 7143 -6.173 24.574 -14.027 1.00 0.00 WAT +ATOM 27739 H2 TIP3 7143 -6.715 25.962 -13.781 1.00 0.00 WAT +ATOM 27740 OH2 TIP3 7144 -8.100 27.966 -11.225 1.00 0.00 WAT +ATOM 27741 H1 TIP3 7144 -8.819 28.394 -10.727 1.00 0.00 WAT +ATOM 27742 H2 TIP3 7144 -8.568 27.634 -12.015 1.00 0.00 WAT +ATOM 27743 OH2 TIP3 7145 -6.312 22.018 -21.870 1.00 0.00 WAT +ATOM 27744 H1 TIP3 7145 -6.802 22.311 -22.662 1.00 0.00 WAT +ATOM 27745 H2 TIP3 7145 -6.420 22.791 -21.293 1.00 0.00 WAT +ATOM 27746 OH2 TIP3 7146 -8.032 19.593 -23.617 1.00 0.00 WAT +ATOM 27747 H1 TIP3 7146 -7.763 20.191 -24.327 1.00 0.00 WAT +ATOM 27748 H2 TIP3 7146 -8.252 18.773 -24.100 1.00 0.00 WAT +ATOM 27749 OH2 TIP3 7147 -8.634 20.722 -17.655 1.00 0.00 WAT +ATOM 27750 H1 TIP3 7147 -8.672 19.763 -17.798 1.00 0.00 WAT +ATOM 27751 H2 TIP3 7147 -8.980 20.807 -16.744 1.00 0.00 WAT +ATOM 27752 OH2 TIP3 7148 -7.776 22.417 -8.189 1.00 0.00 WAT +ATOM 27753 H1 TIP3 7148 -7.016 21.829 -8.194 1.00 0.00 WAT +ATOM 27754 H2 TIP3 7148 -7.389 23.255 -8.486 1.00 0.00 WAT +ATOM 27755 OH2 TIP3 7149 -8.544 16.933 -24.392 1.00 0.00 WAT +ATOM 27756 H1 TIP3 7149 -7.914 16.454 -23.822 1.00 0.00 WAT +ATOM 27757 H2 TIP3 7149 -9.317 16.358 -24.410 1.00 0.00 WAT +ATOM 27758 OH2 TIP3 7150 -8.755 18.201 -19.464 1.00 0.00 WAT +ATOM 27759 H1 TIP3 7150 -8.495 17.256 -19.401 1.00 0.00 WAT +ATOM 27760 H2 TIP3 7150 -7.953 18.575 -19.868 1.00 0.00 WAT +ATOM 27761 OH2 TIP3 7151 -8.478 18.802 -14.004 1.00 0.00 WAT +ATOM 27762 H1 TIP3 7151 -7.505 18.882 -14.029 1.00 0.00 WAT +ATOM 27763 H2 TIP3 7151 -8.608 18.810 -13.035 1.00 0.00 WAT +ATOM 27764 OH2 TIP3 7152 -8.397 19.458 -11.267 1.00 0.00 WAT +ATOM 27765 H1 TIP3 7152 -9.094 19.912 -10.762 1.00 0.00 WAT +ATOM 27766 H2 TIP3 7152 -7.696 20.125 -11.309 1.00 0.00 WAT +ATOM 27767 OH2 TIP3 7153 -24.075 17.898 -7.558 1.00 0.00 WAT +ATOM 27768 H1 TIP3 7153 -23.150 17.651 -7.364 1.00 0.00 WAT +ATOM 27769 H2 TIP3 7153 -24.550 17.093 -7.308 1.00 0.00 WAT +ATOM 27770 OH2 TIP3 7154 -8.257 15.409 -19.479 1.00 0.00 WAT +ATOM 27771 H1 TIP3 7154 -8.139 15.074 -18.571 1.00 0.00 WAT +ATOM 27772 H2 TIP3 7154 -9.053 14.917 -19.763 1.00 0.00 WAT +ATOM 27773 OH2 TIP3 7155 -22.908 16.249 -14.794 1.00 0.00 WAT +ATOM 27774 H1 TIP3 7155 -22.411 15.433 -14.674 1.00 0.00 WAT +ATOM 27775 H2 TIP3 7155 -22.301 16.918 -14.436 1.00 0.00 WAT +ATOM 27776 OH2 TIP3 7156 -24.528 19.275 -13.760 1.00 0.00 WAT +ATOM 27777 H1 TIP3 7156 -23.935 19.271 -14.529 1.00 0.00 WAT +ATOM 27778 H2 TIP3 7156 -24.091 19.901 -13.172 1.00 0.00 WAT +ATOM 27779 OH2 TIP3 7157 -6.310 15.903 -22.847 1.00 0.00 WAT +ATOM 27780 H1 TIP3 7157 -5.977 15.097 -23.277 1.00 0.00 WAT +ATOM 27781 H2 TIP3 7157 -5.491 16.411 -22.712 1.00 0.00 WAT +ATOM 27782 OH2 TIP3 7158 -24.057 15.688 -19.550 1.00 0.00 WAT +ATOM 27783 H1 TIP3 7158 -24.991 15.659 -19.818 1.00 0.00 WAT +ATOM 27784 H2 TIP3 7158 -23.638 16.217 -20.257 1.00 0.00 WAT +ATOM 27785 OH2 TIP3 7159 -9.384 30.778 -17.548 1.00 0.00 WAT +ATOM 27786 H1 TIP3 7159 -8.894 30.628 -18.371 1.00 0.00 WAT +ATOM 27787 H2 TIP3 7159 -8.753 31.275 -17.015 1.00 0.00 WAT +ATOM 27788 OH2 TIP3 7160 -21.995 27.598 -6.791 1.00 0.00 WAT +ATOM 27789 H1 TIP3 7160 -22.715 27.596 -7.436 1.00 0.00 WAT +ATOM 27790 H2 TIP3 7160 -22.470 27.547 -5.949 1.00 0.00 WAT +ATOM 27791 OH2 TIP3 7161 -19.174 28.567 -11.175 1.00 0.00 WAT +ATOM 27792 H1 TIP3 7161 -19.484 29.435 -11.495 1.00 0.00 WAT +ATOM 27793 H2 TIP3 7161 -18.212 28.684 -11.322 1.00 0.00 WAT +ATOM 27794 OH2 TIP3 7162 -14.651 29.858 -8.125 1.00 0.00 WAT +ATOM 27795 H1 TIP3 7162 -14.515 29.748 -7.170 1.00 0.00 WAT +ATOM 27796 H2 TIP3 7162 -13.838 30.342 -8.380 1.00 0.00 WAT +ATOM 27797 OH2 TIP3 7163 -12.377 31.338 -8.893 1.00 0.00 WAT +ATOM 27798 H1 TIP3 7163 -11.681 30.700 -9.106 1.00 0.00 WAT +ATOM 27799 H2 TIP3 7163 -12.076 31.657 -8.019 1.00 0.00 WAT +ATOM 27800 OH2 TIP3 7164 -21.832 31.492 -10.799 1.00 0.00 WAT +ATOM 27801 H1 TIP3 7164 -22.387 32.149 -11.257 1.00 0.00 WAT +ATOM 27802 H2 TIP3 7164 -22.137 31.610 -9.891 1.00 0.00 WAT +ATOM 27803 OH2 TIP3 7165 -19.318 31.285 -12.272 1.00 0.00 WAT +ATOM 27804 H1 TIP3 7165 -20.153 31.530 -11.831 1.00 0.00 WAT +ATOM 27805 H2 TIP3 7165 -19.231 31.991 -12.944 1.00 0.00 WAT +ATOM 27806 OH2 TIP3 7166 -14.570 31.306 -12.690 1.00 0.00 WAT +ATOM 27807 H1 TIP3 7166 -14.911 31.748 -13.491 1.00 0.00 WAT +ATOM 27808 H2 TIP3 7166 -14.463 32.068 -12.091 1.00 0.00 WAT +ATOM 27809 OH2 TIP3 7167 -12.230 30.020 -11.787 1.00 0.00 WAT +ATOM 27810 H1 TIP3 7167 -13.075 30.391 -12.106 1.00 0.00 WAT +ATOM 27811 H2 TIP3 7167 -11.666 30.807 -11.793 1.00 0.00 WAT +ATOM 27812 OH2 TIP3 7168 -9.680 31.748 -11.589 1.00 0.00 WAT +ATOM 27813 H1 TIP3 7168 -9.742 32.703 -11.791 1.00 0.00 WAT +ATOM 27814 H2 TIP3 7168 -9.432 31.402 -12.463 1.00 0.00 WAT +ATOM 27815 OH2 TIP3 7169 -22.256 30.300 -13.900 1.00 0.00 WAT +ATOM 27816 H1 TIP3 7169 -22.290 29.814 -13.046 1.00 0.00 WAT +ATOM 27817 H2 TIP3 7169 -21.435 29.931 -14.284 1.00 0.00 WAT +ATOM 27818 OH2 TIP3 7170 -20.199 29.103 -15.408 1.00 0.00 WAT +ATOM 27819 H1 TIP3 7170 -20.277 28.163 -15.178 1.00 0.00 WAT +ATOM 27820 H2 TIP3 7170 -19.276 29.305 -15.146 1.00 0.00 WAT +ATOM 27821 OH2 TIP3 7171 -17.486 29.528 -14.533 1.00 0.00 WAT +ATOM 27822 H1 TIP3 7171 -17.229 28.617 -14.746 1.00 0.00 WAT +ATOM 27823 H2 TIP3 7171 -17.368 29.535 -13.571 1.00 0.00 WAT +ATOM 27824 OH2 TIP3 7172 -14.186 15.349 -15.193 1.00 0.00 WAT +ATOM 27825 H1 TIP3 7172 -14.851 14.650 -15.059 1.00 0.00 WAT +ATOM 27826 H2 TIP3 7172 -13.556 14.911 -15.788 1.00 0.00 WAT +ATOM 27827 OH2 TIP3 7173 -9.244 13.617 -14.625 1.00 0.00 WAT +ATOM 27828 H1 TIP3 7173 -8.380 13.701 -15.055 1.00 0.00 WAT +ATOM 27829 H2 TIP3 7173 -9.857 13.615 -15.372 1.00 0.00 WAT +ATOM 27830 OH2 TIP3 7174 -7.127 14.538 -16.882 1.00 0.00 WAT +ATOM 27831 H1 TIP3 7174 -6.387 14.113 -17.351 1.00 0.00 WAT +ATOM 27832 H2 TIP3 7174 -6.794 15.449 -16.761 1.00 0.00 WAT +ATOM 27833 OH2 TIP3 7175 -21.667 14.169 -17.305 1.00 0.00 WAT +ATOM 27834 H1 TIP3 7175 -22.527 14.051 -17.743 1.00 0.00 WAT +ATOM 27835 H2 TIP3 7175 -21.292 13.277 -17.374 1.00 0.00 WAT +ATOM 27836 OH2 TIP3 7176 -22.940 13.645 -21.809 1.00 0.00 WAT +ATOM 27837 H1 TIP3 7176 -22.440 14.312 -22.316 1.00 0.00 WAT +ATOM 27838 H2 TIP3 7176 -23.345 14.177 -21.109 1.00 0.00 WAT +ATOM 27839 OH2 TIP3 7177 -17.299 13.933 -17.781 1.00 0.00 WAT +ATOM 27840 H1 TIP3 7177 -16.373 14.202 -17.896 1.00 0.00 WAT +ATOM 27841 H2 TIP3 7177 -17.342 13.802 -16.827 1.00 0.00 WAT +ATOM 27842 OH2 TIP3 7178 -11.743 14.044 -16.389 1.00 0.00 WAT +ATOM 27843 H1 TIP3 7178 -11.378 13.886 -17.269 1.00 0.00 WAT +ATOM 27844 H2 TIP3 7178 -12.069 13.162 -16.145 1.00 0.00 WAT +ATOM 27845 OH2 TIP3 7179 -10.579 14.006 -20.438 1.00 0.00 WAT +ATOM 27846 H1 TIP3 7179 -11.398 14.529 -20.530 1.00 0.00 WAT +ATOM 27847 H2 TIP3 7179 -10.928 13.139 -20.161 1.00 0.00 WAT +ATOM 27848 OH2 TIP3 7180 -22.811 29.583 -20.595 1.00 0.00 WAT +ATOM 27849 H1 TIP3 7180 -23.399 29.495 -21.361 1.00 0.00 WAT +ATOM 27850 H2 TIP3 7180 -22.755 30.547 -20.534 1.00 0.00 WAT +ATOM 27851 OH2 TIP3 7181 -21.233 15.477 -23.362 1.00 0.00 WAT +ATOM 27852 H1 TIP3 7181 -20.613 14.930 -23.870 1.00 0.00 WAT +ATOM 27853 H2 TIP3 7181 -20.652 15.817 -22.654 1.00 0.00 WAT +ATOM 27854 OH2 TIP3 7182 -16.080 15.609 -20.779 1.00 0.00 WAT +ATOM 27855 H1 TIP3 7182 -15.805 15.052 -20.033 1.00 0.00 WAT +ATOM 27856 H2 TIP3 7182 -15.929 16.487 -20.393 1.00 0.00 WAT +ATOM 27857 OH2 TIP3 7183 -14.015 31.093 -22.522 1.00 0.00 WAT +ATOM 27858 H1 TIP3 7183 -13.066 31.256 -22.624 1.00 0.00 WAT +ATOM 27859 H2 TIP3 7183 -14.231 30.557 -23.297 1.00 0.00 WAT +ATOM 27860 OH2 TIP3 7184 -7.549 30.473 -19.938 1.00 0.00 WAT +ATOM 27861 H1 TIP3 7184 -7.814 29.639 -20.376 1.00 0.00 WAT +ATOM 27862 H2 TIP3 7184 -7.692 31.116 -20.653 1.00 0.00 WAT +ATOM 27863 OH2 TIP3 7185 -21.390 30.457 -23.828 1.00 0.00 WAT +ATOM 27864 H1 TIP3 7185 -21.534 30.858 -22.958 1.00 0.00 WAT +ATOM 27865 H2 TIP3 7185 -20.528 30.017 -23.720 1.00 0.00 WAT +ATOM 27866 OH2 TIP3 7186 -8.091 29.232 -7.535 1.00 0.00 WAT +ATOM 27867 H1 TIP3 7186 -8.837 29.020 -8.122 1.00 0.00 WAT +ATOM 27868 H2 TIP3 7186 -8.267 30.169 -7.331 1.00 0.00 WAT +ATOM 27869 OH2 TIP3 7187 4.973 22.327 -14.426 1.00 0.00 WAT +ATOM 27870 H1 TIP3 7187 4.894 21.758 -13.647 1.00 0.00 WAT +ATOM 27871 H2 TIP3 7187 4.743 21.734 -15.154 1.00 0.00 WAT +ATOM 27872 OH2 TIP3 7188 -2.663 21.684 -12.501 1.00 0.00 WAT +ATOM 27873 H1 TIP3 7188 -2.471 21.053 -11.802 1.00 0.00 WAT +ATOM 27874 H2 TIP3 7188 -1.853 22.217 -12.487 1.00 0.00 WAT +ATOM 27875 OH2 TIP3 7189 8.780 25.182 -16.029 1.00 0.00 WAT +ATOM 27876 H1 TIP3 7189 8.288 24.418 -15.703 1.00 0.00 WAT +ATOM 27877 H2 TIP3 7189 8.937 25.686 -15.220 1.00 0.00 WAT +ATOM 27878 OH2 TIP3 7190 -1.673 26.728 -14.451 1.00 0.00 WAT +ATOM 27879 H1 TIP3 7190 -2.118 25.861 -14.524 1.00 0.00 WAT +ATOM 27880 H2 TIP3 7190 -0.990 26.492 -13.798 1.00 0.00 WAT +ATOM 27881 OH2 TIP3 7191 -4.971 19.967 -18.780 1.00 0.00 WAT +ATOM 27882 H1 TIP3 7191 -5.362 20.854 -18.721 1.00 0.00 WAT +ATOM 27883 H2 TIP3 7191 -5.667 19.479 -19.236 1.00 0.00 WAT +ATOM 27884 OH2 TIP3 7192 -4.022 22.265 -16.762 1.00 0.00 WAT +ATOM 27885 H1 TIP3 7192 -3.834 21.435 -16.289 1.00 0.00 WAT +ATOM 27886 H2 TIP3 7192 -3.244 22.341 -17.329 1.00 0.00 WAT +ATOM 27887 OH2 TIP3 7193 5.700 30.445 -15.432 1.00 0.00 WAT +ATOM 27888 H1 TIP3 7193 6.272 29.744 -15.804 1.00 0.00 WAT +ATOM 27889 H2 TIP3 7193 5.475 30.063 -14.574 1.00 0.00 WAT +ATOM 27890 OH2 TIP3 7194 3.399 24.863 -13.770 1.00 0.00 WAT +ATOM 27891 H1 TIP3 7194 3.717 24.196 -14.403 1.00 0.00 WAT +ATOM 27892 H2 TIP3 7194 4.226 25.005 -13.272 1.00 0.00 WAT +ATOM 27893 OH2 TIP3 7195 12.134 16.421 -13.139 1.00 0.00 WAT +ATOM 27894 H1 TIP3 7195 12.348 17.052 -12.437 1.00 0.00 WAT +ATOM 27895 H2 TIP3 7195 12.741 16.728 -13.836 1.00 0.00 WAT +ATOM 27896 OH2 TIP3 7196 6.584 19.112 -13.346 1.00 0.00 WAT +ATOM 27897 H1 TIP3 7196 6.931 18.204 -13.377 1.00 0.00 WAT +ATOM 27898 H2 TIP3 7196 6.668 19.386 -14.271 1.00 0.00 WAT +ATOM 27899 OH2 TIP3 7197 -0.493 16.976 -16.145 1.00 0.00 WAT +ATOM 27900 H1 TIP3 7197 -0.358 17.917 -16.317 1.00 0.00 WAT +ATOM 27901 H2 TIP3 7197 -0.795 16.648 -17.011 1.00 0.00 WAT +ATOM 27902 OH2 TIP3 7198 7.566 17.390 -17.892 1.00 0.00 WAT +ATOM 27903 H1 TIP3 7198 8.131 16.997 -17.188 1.00 0.00 WAT +ATOM 27904 H2 TIP3 7198 8.242 17.835 -18.430 1.00 0.00 WAT +ATOM 27905 OH2 TIP3 7199 -3.265 19.702 -15.473 1.00 0.00 WAT +ATOM 27906 H1 TIP3 7199 -2.567 19.204 -15.035 1.00 0.00 WAT +ATOM 27907 H2 TIP3 7199 -3.249 19.301 -16.359 1.00 0.00 WAT +ATOM 27908 OH2 TIP3 7200 1.731 21.279 -16.108 1.00 0.00 WAT +ATOM 27909 H1 TIP3 7200 2.385 20.702 -15.673 1.00 0.00 WAT +ATOM 27910 H2 TIP3 7200 1.258 20.632 -16.665 1.00 0.00 WAT +ATOM 27911 OH2 TIP3 7201 12.887 17.836 -10.428 1.00 0.00 WAT +ATOM 27912 H1 TIP3 7201 12.278 18.506 -10.777 1.00 0.00 WAT +ATOM 27913 H2 TIP3 7201 12.415 17.556 -9.631 1.00 0.00 WAT +ATOM 27914 OH2 TIP3 7202 6.099 25.904 -18.590 1.00 0.00 WAT +ATOM 27915 H1 TIP3 7202 5.743 25.179 -19.107 1.00 0.00 WAT +ATOM 27916 H2 TIP3 7202 5.381 26.549 -18.523 1.00 0.00 WAT +ATOM 27917 OH2 TIP3 7203 1.470 23.851 -11.850 1.00 0.00 WAT +ATOM 27918 H1 TIP3 7203 0.703 24.445 -11.732 1.00 0.00 WAT +ATOM 27919 H2 TIP3 7203 2.099 24.420 -12.334 1.00 0.00 WAT +ATOM 27920 OH2 TIP3 7204 9.246 16.584 -15.744 1.00 0.00 WAT +ATOM 27921 H1 TIP3 7204 9.187 15.830 -15.150 1.00 0.00 WAT +ATOM 27922 H2 TIP3 7204 9.846 17.181 -15.259 1.00 0.00 WAT +ATOM 27923 OH2 TIP3 7205 -0.646 25.807 -11.479 1.00 0.00 WAT +ATOM 27924 H1 TIP3 7205 -0.629 26.783 -11.418 1.00 0.00 WAT +ATOM 27925 H2 TIP3 7205 -1.396 25.590 -10.895 1.00 0.00 WAT +ATOM 27926 OH2 TIP3 7206 -4.246 25.602 -20.221 1.00 0.00 WAT +ATOM 27927 H1 TIP3 7206 -4.427 25.991 -21.095 1.00 0.00 WAT +ATOM 27928 H2 TIP3 7206 -4.063 26.377 -19.666 1.00 0.00 WAT +ATOM 27929 OH2 TIP3 7207 9.204 26.915 -13.482 1.00 0.00 WAT +ATOM 27930 H1 TIP3 7207 8.235 27.011 -13.498 1.00 0.00 WAT +ATOM 27931 H2 TIP3 7207 9.478 27.750 -13.899 1.00 0.00 WAT +ATOM 27932 OH2 TIP3 7208 9.458 15.915 -12.004 1.00 0.00 WAT +ATOM 27933 H1 TIP3 7208 8.689 16.212 -12.523 1.00 0.00 WAT +ATOM 27934 H2 TIP3 7208 10.215 16.074 -12.600 1.00 0.00 WAT +ATOM 27935 OH2 TIP3 7209 7.478 28.838 -16.950 1.00 0.00 WAT +ATOM 27936 H1 TIP3 7209 7.915 28.005 -17.226 1.00 0.00 WAT +ATOM 27937 H2 TIP3 7209 8.188 29.487 -17.098 1.00 0.00 WAT +ATOM 27938 OH2 TIP3 7210 8.927 26.665 -18.391 1.00 0.00 WAT +ATOM 27939 H1 TIP3 7210 8.387 26.150 -19.013 1.00 0.00 WAT +ATOM 27940 H2 TIP3 7210 8.891 26.071 -17.612 1.00 0.00 WAT +ATOM 27941 OH2 TIP3 7211 10.468 25.528 -9.854 1.00 0.00 WAT +ATOM 27942 H1 TIP3 7211 10.404 24.846 -10.548 1.00 0.00 WAT +ATOM 27943 H2 TIP3 7211 10.625 26.337 -10.371 1.00 0.00 WAT +ATOM 27944 OH2 TIP3 7212 5.108 20.822 -23.085 1.00 0.00 WAT +ATOM 27945 H1 TIP3 7212 5.694 20.896 -22.316 1.00 0.00 WAT +ATOM 27946 H2 TIP3 7212 5.620 20.215 -23.649 1.00 0.00 WAT +ATOM 27947 OH2 TIP3 7213 12.283 21.685 -11.901 1.00 0.00 WAT +ATOM 27948 H1 TIP3 7213 11.554 22.328 -11.806 1.00 0.00 WAT +ATOM 27949 H2 TIP3 7213 12.744 22.041 -12.686 1.00 0.00 WAT +ATOM 27950 OH2 TIP3 7214 8.224 20.813 -10.145 1.00 0.00 WAT +ATOM 27951 H1 TIP3 7214 8.167 21.599 -9.580 1.00 0.00 WAT +ATOM 27952 H2 TIP3 7214 7.545 21.032 -10.802 1.00 0.00 WAT +ATOM 27953 OH2 TIP3 7215 -0.100 23.251 -17.354 1.00 0.00 WAT +ATOM 27954 H1 TIP3 7215 -0.457 22.737 -18.106 1.00 0.00 WAT +ATOM 27955 H2 TIP3 7215 0.507 22.608 -16.940 1.00 0.00 WAT +ATOM 27956 OH2 TIP3 7216 1.213 26.720 -15.008 1.00 0.00 WAT +ATOM 27957 H1 TIP3 7216 1.455 25.948 -15.553 1.00 0.00 WAT +ATOM 27958 H2 TIP3 7216 1.910 26.630 -14.331 1.00 0.00 WAT +ATOM 27959 OH2 TIP3 7217 0.245 22.097 -13.765 1.00 0.00 WAT +ATOM 27960 H1 TIP3 7217 0.891 21.864 -14.460 1.00 0.00 WAT +ATOM 27961 H2 TIP3 7217 0.809 22.528 -13.098 1.00 0.00 WAT +ATOM 27962 OH2 TIP3 7218 6.344 27.548 -13.238 1.00 0.00 WAT +ATOM 27963 H1 TIP3 7218 6.435 28.174 -12.500 1.00 0.00 WAT +ATOM 27964 H2 TIP3 7218 6.163 26.700 -12.792 1.00 0.00 WAT +ATOM 27965 OH2 TIP3 7219 1.305 26.340 -8.985 1.00 0.00 WAT +ATOM 27966 H1 TIP3 7219 0.812 26.998 -8.462 1.00 0.00 WAT +ATOM 27967 H2 TIP3 7219 0.655 26.078 -9.652 1.00 0.00 WAT +ATOM 27968 OH2 TIP3 7220 -1.878 23.105 -9.989 1.00 0.00 WAT +ATOM 27969 H1 TIP3 7220 -1.660 23.337 -9.073 1.00 0.00 WAT +ATOM 27970 H2 TIP3 7220 -2.749 22.695 -9.910 1.00 0.00 WAT +ATOM 27971 OH2 TIP3 7221 4.576 28.476 -18.027 1.00 0.00 WAT +ATOM 27972 H1 TIP3 7221 5.227 28.666 -17.338 1.00 0.00 WAT +ATOM 27973 H2 TIP3 7221 4.302 29.350 -18.338 1.00 0.00 WAT +ATOM 27974 OH2 TIP3 7222 -0.597 28.488 -8.153 1.00 0.00 WAT +ATOM 27975 H1 TIP3 7222 -0.734 28.533 -9.111 1.00 0.00 WAT +ATOM 27976 H2 TIP3 7222 -1.487 28.276 -7.805 1.00 0.00 WAT +ATOM 27977 OH2 TIP3 7223 10.660 13.550 -22.078 1.00 0.00 WAT +ATOM 27978 H1 TIP3 7223 9.774 13.709 -21.692 1.00 0.00 WAT +ATOM 27979 H2 TIP3 7223 11.024 14.448 -22.119 1.00 0.00 WAT +ATOM 27980 OH2 TIP3 7224 -1.259 21.965 -19.726 1.00 0.00 WAT +ATOM 27981 H1 TIP3 7224 -1.414 22.678 -20.370 1.00 0.00 WAT +ATOM 27982 H2 TIP3 7224 -1.856 21.275 -20.044 1.00 0.00 WAT +ATOM 27983 OH2 TIP3 7225 12.044 27.749 -23.608 1.00 0.00 WAT +ATOM 27984 H1 TIP3 7225 12.208 28.674 -23.341 1.00 0.00 WAT +ATOM 27985 H2 TIP3 7225 12.903 27.330 -23.400 1.00 0.00 WAT +ATOM 27986 OH2 TIP3 7226 -5.150 24.582 -11.040 1.00 0.00 WAT +ATOM 27987 H1 TIP3 7226 -5.602 24.632 -11.907 1.00 0.00 WAT +ATOM 27988 H2 TIP3 7226 -5.020 23.627 -10.958 1.00 0.00 WAT +ATOM 27989 OH2 TIP3 7227 -5.125 27.534 -14.125 1.00 0.00 WAT +ATOM 27990 H1 TIP3 7227 -4.198 27.301 -14.004 1.00 0.00 WAT +ATOM 27991 H2 TIP3 7227 -5.258 28.170 -13.407 1.00 0.00 WAT +ATOM 27992 OH2 TIP3 7228 13.280 28.149 -8.354 1.00 0.00 WAT +ATOM 27993 H1 TIP3 7228 13.180 27.195 -8.524 1.00 0.00 WAT +ATOM 27994 H2 TIP3 7228 12.375 28.379 -8.051 1.00 0.00 WAT +ATOM 27995 OH2 TIP3 7229 3.921 27.410 -9.593 1.00 0.00 WAT +ATOM 27996 H1 TIP3 7229 3.995 28.221 -9.051 1.00 0.00 WAT +ATOM 27997 H2 TIP3 7229 3.041 27.076 -9.328 1.00 0.00 WAT +ATOM 27998 OH2 TIP3 7230 4.172 31.174 -19.544 1.00 0.00 WAT +ATOM 27999 H1 TIP3 7230 4.221 31.227 -20.515 1.00 0.00 WAT +ATOM 28000 H2 TIP3 7230 4.258 32.100 -19.271 1.00 0.00 WAT +ATOM 28001 OH2 TIP3 7231 7.542 30.631 -22.391 1.00 0.00 WAT +ATOM 28002 H1 TIP3 7231 8.095 29.964 -22.843 1.00 0.00 WAT +ATOM 28003 H2 TIP3 7231 7.475 30.240 -21.496 1.00 0.00 WAT +ATOM 28004 OH2 TIP3 7232 6.930 30.073 -19.570 1.00 0.00 WAT +ATOM 28005 H1 TIP3 7232 5.967 30.127 -19.455 1.00 0.00 WAT +ATOM 28006 H2 TIP3 7232 7.127 29.304 -19.004 1.00 0.00 WAT +ATOM 28007 OH2 TIP3 7233 10.362 19.732 -8.116 1.00 0.00 WAT +ATOM 28008 H1 TIP3 7233 9.695 20.092 -8.724 1.00 0.00 WAT +ATOM 28009 H2 TIP3 7233 10.340 18.785 -8.341 1.00 0.00 WAT +ATOM 28010 OH2 TIP3 7234 -2.945 26.130 -9.758 1.00 0.00 WAT +ATOM 28011 H1 TIP3 7234 -2.639 25.622 -8.985 1.00 0.00 WAT +ATOM 28012 H2 TIP3 7234 -3.663 25.573 -10.107 1.00 0.00 WAT +ATOM 28013 OH2 TIP3 7235 0.353 14.350 -13.844 1.00 0.00 WAT +ATOM 28014 H1 TIP3 7235 -0.493 13.964 -14.095 1.00 0.00 WAT +ATOM 28015 H2 TIP3 7235 0.099 15.142 -13.376 1.00 0.00 WAT +ATOM 28016 OH2 TIP3 7236 8.580 22.543 -23.420 1.00 0.00 WAT +ATOM 28017 H1 TIP3 7236 8.428 22.553 -24.379 1.00 0.00 WAT +ATOM 28018 H2 TIP3 7236 9.397 23.049 -23.334 1.00 0.00 WAT +ATOM 28019 OH2 TIP3 7237 4.526 16.685 -23.178 1.00 0.00 WAT +ATOM 28020 H1 TIP3 7237 3.961 16.739 -22.396 1.00 0.00 WAT +ATOM 28021 H2 TIP3 7237 3.978 16.120 -23.747 1.00 0.00 WAT +ATOM 28022 OH2 TIP3 7238 0.044 19.541 -17.751 1.00 0.00 WAT +ATOM 28023 H1 TIP3 7238 -0.900 19.360 -17.897 1.00 0.00 WAT +ATOM 28024 H2 TIP3 7238 0.416 19.272 -18.612 1.00 0.00 WAT +ATOM 28025 OH2 TIP3 7239 6.228 19.578 -16.428 1.00 0.00 WAT +ATOM 28026 H1 TIP3 7239 6.297 20.318 -17.087 1.00 0.00 WAT +ATOM 28027 H2 TIP3 7239 6.582 18.848 -16.969 1.00 0.00 WAT +ATOM 28028 OH2 TIP3 7240 0.956 17.288 -24.183 1.00 0.00 WAT +ATOM 28029 H1 TIP3 7240 0.597 16.833 -23.399 1.00 0.00 WAT +ATOM 28030 H2 TIP3 7240 0.203 17.332 -24.773 1.00 0.00 WAT +ATOM 28031 OH2 TIP3 7241 -5.696 16.998 -17.068 1.00 0.00 WAT +ATOM 28032 H1 TIP3 7241 -5.044 17.013 -16.347 1.00 0.00 WAT +ATOM 28033 H2 TIP3 7241 -5.197 16.642 -17.818 1.00 0.00 WAT +ATOM 28034 OH2 TIP3 7242 -4.145 17.472 -21.462 1.00 0.00 WAT +ATOM 28035 H1 TIP3 7242 -3.563 17.957 -22.081 1.00 0.00 WAT +ATOM 28036 H2 TIP3 7242 -4.820 18.144 -21.266 1.00 0.00 WAT +ATOM 28037 OH2 TIP3 7243 5.532 21.121 -11.687 1.00 0.00 WAT +ATOM 28038 H1 TIP3 7243 6.010 20.477 -12.247 1.00 0.00 WAT +ATOM 28039 H2 TIP3 7243 5.209 20.534 -10.981 1.00 0.00 WAT +ATOM 28040 OH2 TIP3 7244 2.625 17.022 -16.746 1.00 0.00 WAT +ATOM 28041 H1 TIP3 7244 1.682 17.053 -16.508 1.00 0.00 WAT +ATOM 28042 H2 TIP3 7244 3.040 17.102 -15.877 1.00 0.00 WAT +ATOM 28043 OH2 TIP3 7245 -2.632 18.339 -18.069 1.00 0.00 WAT +ATOM 28044 H1 TIP3 7245 -3.463 18.599 -18.506 1.00 0.00 WAT +ATOM 28045 H2 TIP3 7245 -2.358 17.540 -18.561 1.00 0.00 WAT +ATOM 28046 OH2 TIP3 7246 1.087 18.660 -20.346 1.00 0.00 WAT +ATOM 28047 H1 TIP3 7246 2.047 18.797 -20.299 1.00 0.00 WAT +ATOM 28048 H2 TIP3 7246 0.813 19.225 -21.086 1.00 0.00 WAT +ATOM 28049 OH2 TIP3 7247 6.901 16.205 -13.403 1.00 0.00 WAT +ATOM 28050 H1 TIP3 7247 6.181 16.253 -12.763 1.00 0.00 WAT +ATOM 28051 H2 TIP3 7247 6.400 15.955 -14.207 1.00 0.00 WAT +ATOM 28052 OH2 TIP3 7248 -0.521 19.879 -22.646 1.00 0.00 WAT +ATOM 28053 H1 TIP3 7248 -1.066 19.520 -23.361 1.00 0.00 WAT +ATOM 28054 H2 TIP3 7248 0.314 20.064 -23.107 1.00 0.00 WAT +ATOM 28055 OH2 TIP3 7249 10.193 32.007 -7.033 1.00 0.00 WAT +ATOM 28056 H1 TIP3 7249 10.428 32.457 -7.862 1.00 0.00 WAT +ATOM 28057 H2 TIP3 7249 10.899 32.306 -6.436 1.00 0.00 WAT +ATOM 28058 OH2 TIP3 7250 -1.826 24.552 -7.387 1.00 0.00 WAT +ATOM 28059 H1 TIP3 7250 -1.105 24.693 -6.757 1.00 0.00 WAT +ATOM 28060 H2 TIP3 7250 -2.592 24.630 -6.796 1.00 0.00 WAT +ATOM 28061 OH2 TIP3 7251 3.695 19.359 -14.679 1.00 0.00 WAT +ATOM 28062 H1 TIP3 7251 4.487 19.194 -15.212 1.00 0.00 WAT +ATOM 28063 H2 TIP3 7251 3.883 18.873 -13.864 1.00 0.00 WAT +ATOM 28064 OH2 TIP3 7252 -0.980 16.001 -18.752 1.00 0.00 WAT +ATOM 28065 H1 TIP3 7252 -1.414 15.159 -18.527 1.00 0.00 WAT +ATOM 28066 H2 TIP3 7252 -0.130 15.703 -19.106 1.00 0.00 WAT +ATOM 28067 OH2 TIP3 7253 2.945 24.482 -20.654 1.00 0.00 WAT +ATOM 28068 H1 TIP3 7253 2.401 23.798 -21.091 1.00 0.00 WAT +ATOM 28069 H2 TIP3 7253 3.060 24.130 -19.764 1.00 0.00 WAT +ATOM 28070 OH2 TIP3 7254 10.154 23.631 -11.998 1.00 0.00 WAT +ATOM 28071 H1 TIP3 7254 10.647 24.160 -12.660 1.00 0.00 WAT +ATOM 28072 H2 TIP3 7254 9.303 23.490 -12.458 1.00 0.00 WAT +ATOM 28073 OH2 TIP3 7255 7.219 17.317 -23.118 1.00 0.00 WAT +ATOM 28074 H1 TIP3 7255 6.239 17.259 -23.107 1.00 0.00 WAT +ATOM 28075 H2 TIP3 7255 7.386 18.052 -22.479 1.00 0.00 WAT +ATOM 28076 OH2 TIP3 7256 4.482 24.442 -9.364 1.00 0.00 WAT +ATOM 28077 H1 TIP3 7256 4.249 24.176 -8.462 1.00 0.00 WAT +ATOM 28078 H2 TIP3 7256 4.223 25.373 -9.381 1.00 0.00 WAT +ATOM 28079 OH2 TIP3 7257 7.691 19.280 -21.237 1.00 0.00 WAT +ATOM 28080 H1 TIP3 7257 8.307 19.141 -20.500 1.00 0.00 WAT +ATOM 28081 H2 TIP3 7257 7.693 20.249 -21.263 1.00 0.00 WAT +ATOM 28082 OH2 TIP3 7258 -1.879 23.755 -14.861 1.00 0.00 WAT +ATOM 28083 H1 TIP3 7258 -1.324 23.716 -15.654 1.00 0.00 WAT +ATOM 28084 H2 TIP3 7258 -1.610 22.926 -14.430 1.00 0.00 WAT +ATOM 28085 OH2 TIP3 7259 5.333 25.915 -21.934 1.00 0.00 WAT +ATOM 28086 H1 TIP3 7259 5.076 26.666 -21.366 1.00 0.00 WAT +ATOM 28087 H2 TIP3 7259 4.850 25.187 -21.510 1.00 0.00 WAT +ATOM 28088 OH2 TIP3 7260 -4.575 21.875 -9.275 1.00 0.00 WAT +ATOM 28089 H1 TIP3 7260 -4.592 21.132 -8.662 1.00 0.00 WAT +ATOM 28090 H2 TIP3 7260 -5.158 21.569 -9.993 1.00 0.00 WAT +ATOM 28091 OH2 TIP3 7261 2.504 21.466 -7.539 1.00 0.00 WAT +ATOM 28092 H1 TIP3 7261 2.241 21.328 -8.459 1.00 0.00 WAT +ATOM 28093 H2 TIP3 7261 3.463 21.431 -7.592 1.00 0.00 WAT +ATOM 28094 OH2 TIP3 7262 6.828 27.110 -9.968 1.00 0.00 WAT +ATOM 28095 H1 TIP3 7262 5.859 27.172 -10.022 1.00 0.00 WAT +ATOM 28096 H2 TIP3 7262 6.991 27.327 -9.036 1.00 0.00 WAT +ATOM 28097 OH2 TIP3 7263 12.377 19.107 -21.187 1.00 0.00 WAT +ATOM 28098 H1 TIP3 7263 11.796 18.946 -21.957 1.00 0.00 WAT +ATOM 28099 H2 TIP3 7263 12.504 20.069 -21.298 1.00 0.00 WAT +ATOM 28100 OH2 TIP3 7264 12.807 25.171 -8.388 1.00 0.00 WAT +ATOM 28101 H1 TIP3 7264 11.866 25.367 -8.583 1.00 0.00 WAT +ATOM 28102 H2 TIP3 7264 13.150 24.987 -9.285 1.00 0.00 WAT +ATOM 28103 OH2 TIP3 7265 10.572 27.718 -21.082 1.00 0.00 WAT +ATOM 28104 H1 TIP3 7265 10.311 26.946 -20.552 1.00 0.00 WAT +ATOM 28105 H2 TIP3 7265 11.109 27.318 -21.779 1.00 0.00 WAT +ATOM 28106 OH2 TIP3 7266 7.799 23.046 -13.670 1.00 0.00 WAT +ATOM 28107 H1 TIP3 7266 6.883 22.908 -13.971 1.00 0.00 WAT +ATOM 28108 H2 TIP3 7266 8.253 22.344 -14.185 1.00 0.00 WAT +ATOM 28109 OH2 TIP3 7267 -3.557 21.938 -23.046 1.00 0.00 WAT +ATOM 28110 H1 TIP3 7267 -2.974 22.616 -22.658 1.00 0.00 WAT +ATOM 28111 H2 TIP3 7267 -4.431 22.246 -22.743 1.00 0.00 WAT +ATOM 28112 OH2 TIP3 7268 1.992 25.268 -17.540 1.00 0.00 WAT +ATOM 28113 H1 TIP3 7268 1.743 25.889 -18.225 1.00 0.00 WAT +ATOM 28114 H2 TIP3 7268 1.411 24.504 -17.683 1.00 0.00 WAT +ATOM 28115 OH2 TIP3 7269 2.407 29.070 -11.754 1.00 0.00 WAT +ATOM 28116 H1 TIP3 7269 2.948 29.825 -12.038 1.00 0.00 WAT +ATOM 28117 H2 TIP3 7269 3.047 28.558 -11.234 1.00 0.00 WAT +ATOM 28118 OH2 TIP3 7270 5.850 24.859 -12.150 1.00 0.00 WAT +ATOM 28119 H1 TIP3 7270 5.570 24.549 -11.273 1.00 0.00 WAT +ATOM 28120 H2 TIP3 7270 6.567 24.235 -12.357 1.00 0.00 WAT +ATOM 28121 OH2 TIP3 7271 8.118 26.060 -23.096 1.00 0.00 WAT +ATOM 28122 H1 TIP3 7271 8.468 25.595 -22.310 1.00 0.00 WAT +ATOM 28123 H2 TIP3 7271 7.169 25.975 -22.899 1.00 0.00 WAT +ATOM 28124 OH2 TIP3 7272 8.794 29.421 -9.719 1.00 0.00 WAT +ATOM 28125 H1 TIP3 7272 8.046 28.950 -10.137 1.00 0.00 WAT +ATOM 28126 H2 TIP3 7272 8.895 30.204 -10.289 1.00 0.00 WAT +ATOM 28127 OH2 TIP3 7273 12.761 30.419 -22.661 1.00 0.00 WAT +ATOM 28128 H1 TIP3 7273 13.467 31.049 -22.884 1.00 0.00 WAT +ATOM 28129 H2 TIP3 7273 11.997 31.021 -22.688 1.00 0.00 WAT +ATOM 28130 OH2 TIP3 7274 8.883 24.622 -20.677 1.00 0.00 WAT +ATOM 28131 H1 TIP3 7274 8.504 23.857 -20.207 1.00 0.00 WAT +ATOM 28132 H2 TIP3 7274 9.830 24.535 -20.487 1.00 0.00 WAT +ATOM 28133 OH2 TIP3 7275 -3.511 28.504 -11.668 1.00 0.00 WAT +ATOM 28134 H1 TIP3 7275 -3.296 27.602 -11.387 1.00 0.00 WAT +ATOM 28135 H2 TIP3 7275 -3.425 28.972 -10.827 1.00 0.00 WAT +ATOM 28136 OH2 TIP3 7276 2.275 27.233 -24.577 1.00 0.00 WAT +ATOM 28137 H1 TIP3 7276 2.515 26.463 -25.127 1.00 0.00 WAT +ATOM 28138 H2 TIP3 7276 1.902 26.788 -23.797 1.00 0.00 WAT +ATOM 28139 OH2 TIP3 7277 1.230 26.623 -21.788 1.00 0.00 WAT +ATOM 28140 H1 TIP3 7277 1.781 26.060 -21.215 1.00 0.00 WAT +ATOM 28141 H2 TIP3 7277 1.379 27.518 -21.435 1.00 0.00 WAT +ATOM 28142 OH2 TIP3 7278 -2.105 24.174 -21.513 1.00 0.00 WAT +ATOM 28143 H1 TIP3 7278 -2.792 24.586 -20.958 1.00 0.00 WAT +ATOM 28144 H2 TIP3 7278 -1.620 24.959 -21.823 1.00 0.00 WAT +ATOM 28145 OH2 TIP3 7279 6.272 16.089 -20.264 1.00 0.00 WAT +ATOM 28146 H1 TIP3 7279 6.380 16.666 -21.035 1.00 0.00 WAT +ATOM 28147 H2 TIP3 7279 6.713 16.602 -19.566 1.00 0.00 WAT +ATOM 28148 OH2 TIP3 7280 4.064 28.472 -21.233 1.00 0.00 WAT +ATOM 28149 H1 TIP3 7280 3.198 28.901 -21.181 1.00 0.00 WAT +ATOM 28150 H2 TIP3 7280 4.403 28.774 -22.088 1.00 0.00 WAT +ATOM 28151 OH2 TIP3 7281 3.908 18.240 -19.247 1.00 0.00 WAT +ATOM 28152 H1 TIP3 7281 4.650 18.849 -19.101 1.00 0.00 WAT +ATOM 28153 H2 TIP3 7281 3.544 18.133 -18.354 1.00 0.00 WAT +ATOM 28154 OH2 TIP3 7282 4.393 19.013 -10.130 1.00 0.00 WAT +ATOM 28155 H1 TIP3 7282 4.051 19.296 -9.278 1.00 0.00 WAT +ATOM 28156 H2 TIP3 7282 4.620 18.085 -9.963 1.00 0.00 WAT +ATOM 28157 OH2 TIP3 7283 4.289 15.118 -18.324 1.00 0.00 WAT +ATOM 28158 H1 TIP3 7283 3.988 15.869 -17.779 1.00 0.00 WAT +ATOM 28159 H2 TIP3 7283 4.983 15.532 -18.877 1.00 0.00 WAT +ATOM 28160 OH2 TIP3 7284 1.206 29.431 -21.062 1.00 0.00 WAT +ATOM 28161 H1 TIP3 7284 1.132 30.122 -21.753 1.00 0.00 WAT +ATOM 28162 H2 TIP3 7284 1.144 29.972 -20.267 1.00 0.00 WAT +ATOM 28163 OH2 TIP3 7285 0.006 16.120 -21.858 1.00 0.00 WAT +ATOM 28164 H1 TIP3 7285 0.025 16.886 -21.261 1.00 0.00 WAT +ATOM 28165 H2 TIP3 7285 0.822 15.656 -21.580 1.00 0.00 WAT +ATOM 28166 OH2 TIP3 7286 10.255 17.159 -9.357 1.00 0.00 WAT +ATOM 28167 H1 TIP3 7286 9.306 17.023 -9.419 1.00 0.00 WAT +ATOM 28168 H2 TIP3 7286 10.526 16.784 -10.210 1.00 0.00 WAT +ATOM 28169 OH2 TIP3 7287 8.686 20.829 -15.122 1.00 0.00 WAT +ATOM 28170 H1 TIP3 7287 8.010 20.419 -15.681 1.00 0.00 WAT +ATOM 28171 H2 TIP3 7287 9.256 20.075 -14.865 1.00 0.00 WAT +ATOM 28172 OH2 TIP3 7288 -1.547 26.927 -22.724 1.00 0.00 WAT +ATOM 28173 H1 TIP3 7288 -0.820 27.465 -22.371 1.00 0.00 WAT +ATOM 28174 H2 TIP3 7288 -1.063 26.431 -23.405 1.00 0.00 WAT +ATOM 28175 OH2 TIP3 7289 -3.422 19.160 -23.683 1.00 0.00 WAT +ATOM 28176 H1 TIP3 7289 -3.318 20.091 -23.409 1.00 0.00 WAT +ATOM 28177 H2 TIP3 7289 -4.319 19.151 -24.037 1.00 0.00 WAT +ATOM 28178 OH2 TIP3 7290 9.816 29.725 -13.854 1.00 0.00 WAT +ATOM 28179 H1 TIP3 7290 9.698 30.560 -14.343 1.00 0.00 WAT +ATOM 28180 H2 TIP3 7290 10.742 29.807 -13.581 1.00 0.00 WAT +ATOM 28181 OH2 TIP3 7291 -2.866 13.849 -14.736 1.00 0.00 WAT +ATOM 28182 H1 TIP3 7291 -2.753 13.890 -15.699 1.00 0.00 WAT +ATOM 28183 H2 TIP3 7291 -2.986 12.908 -14.563 1.00 0.00 WAT +ATOM 28184 OH2 TIP3 7292 -3.193 28.037 -18.434 1.00 0.00 WAT +ATOM 28185 H1 TIP3 7292 -4.054 28.355 -18.125 1.00 0.00 WAT +ATOM 28186 H2 TIP3 7292 -3.129 28.497 -19.291 1.00 0.00 WAT +ATOM 28187 OH2 TIP3 7293 -4.253 30.572 -7.446 1.00 0.00 WAT +ATOM 28188 H1 TIP3 7293 -3.683 30.302 -6.700 1.00 0.00 WAT +ATOM 28189 H2 TIP3 7293 -4.660 29.718 -7.688 1.00 0.00 WAT +ATOM 28190 OH2 TIP3 7294 0.426 29.669 -5.653 1.00 0.00 WAT +ATOM 28191 H1 TIP3 7294 1.110 29.028 -5.405 1.00 0.00 WAT +ATOM 28192 H2 TIP3 7294 0.222 29.382 -6.558 1.00 0.00 WAT +ATOM 28193 OH2 TIP3 7295 4.499 28.884 -24.102 1.00 0.00 WAT +ATOM 28194 H1 TIP3 7295 3.745 28.267 -24.227 1.00 0.00 WAT +ATOM 28195 H2 TIP3 7295 5.219 28.353 -24.482 1.00 0.00 WAT +ATOM 28196 OH2 TIP3 7296 6.885 27.918 -7.044 1.00 0.00 WAT +ATOM 28197 H1 TIP3 7296 6.548 27.080 -6.681 1.00 0.00 WAT +ATOM 28198 H2 TIP3 7296 7.597 28.142 -6.418 1.00 0.00 WAT +ATOM 28199 OH2 TIP3 7297 9.097 28.784 -24.027 1.00 0.00 WAT +ATOM 28200 H1 TIP3 7297 9.248 27.985 -23.492 1.00 0.00 WAT +ATOM 28201 H2 TIP3 7297 9.906 28.813 -24.568 1.00 0.00 WAT +ATOM 28202 OH2 TIP3 7298 -4.688 24.042 -6.290 1.00 0.00 WAT +ATOM 28203 H1 TIP3 7298 -4.281 23.311 -6.761 1.00 0.00 WAT +ATOM 28204 H2 TIP3 7298 -5.230 24.474 -6.978 1.00 0.00 WAT +ATOM 28205 OH2 TIP3 7299 -0.088 24.648 -24.270 1.00 0.00 WAT +ATOM 28206 H1 TIP3 7299 0.091 24.059 -23.516 1.00 0.00 WAT +ATOM 28207 H2 TIP3 7299 0.773 24.619 -24.729 1.00 0.00 WAT +ATOM 28208 OH2 TIP3 7300 2.367 24.300 -6.947 1.00 0.00 WAT +ATOM 28209 H1 TIP3 7300 1.901 24.545 -7.756 1.00 0.00 WAT +ATOM 28210 H2 TIP3 7300 2.345 23.323 -6.961 1.00 0.00 WAT +ATOM 28211 OH2 TIP3 7301 5.217 25.893 -24.697 1.00 0.00 WAT +ATOM 28212 H1 TIP3 7301 5.166 25.885 -23.718 1.00 0.00 WAT +ATOM 28213 H2 TIP3 7301 5.038 24.954 -24.890 1.00 0.00 WAT +ATOM 28214 OH2 TIP3 7302 7.691 24.082 -9.621 1.00 0.00 WAT +ATOM 28215 H1 TIP3 7302 8.480 24.590 -9.864 1.00 0.00 WAT +ATOM 28216 H2 TIP3 7302 7.007 24.767 -9.647 1.00 0.00 WAT +ATOM 28217 OH2 TIP3 7303 0.966 22.747 -21.996 1.00 0.00 WAT +ATOM 28218 H1 TIP3 7303 0.429 22.185 -21.423 1.00 0.00 WAT +ATOM 28219 H2 TIP3 7303 1.336 22.087 -22.621 1.00 0.00 WAT +ATOM 28220 OH2 TIP3 7304 2.055 20.802 -23.646 1.00 0.00 WAT +ATOM 28221 H1 TIP3 7304 1.992 20.639 -24.599 1.00 0.00 WAT +ATOM 28222 H2 TIP3 7304 3.023 20.777 -23.510 1.00 0.00 WAT +ATOM 28223 OH2 TIP3 7305 5.386 23.035 -6.388 1.00 0.00 WAT +ATOM 28224 H1 TIP3 7305 6.346 23.007 -6.514 1.00 0.00 WAT +ATOM 28225 H2 TIP3 7305 5.257 22.365 -5.708 1.00 0.00 WAT +ATOM 28226 OH2 TIP3 7306 11.402 23.248 -24.349 1.00 0.00 WAT +ATOM 28227 H1 TIP3 7306 11.226 22.820 -25.195 1.00 0.00 WAT +ATOM 28228 H2 TIP3 7306 11.290 24.190 -24.589 1.00 0.00 WAT +ATOM 28229 OH2 TIP3 7307 2.650 21.572 -10.537 1.00 0.00 WAT +ATOM 28230 H1 TIP3 7307 3.460 21.496 -11.066 1.00 0.00 WAT +ATOM 28231 H2 TIP3 7307 2.302 22.425 -10.868 1.00 0.00 WAT +ATOM 28232 OH2 TIP3 7308 8.450 22.529 -7.531 1.00 0.00 WAT +ATOM 28233 H1 TIP3 7308 8.088 23.160 -8.189 1.00 0.00 WAT +ATOM 28234 H2 TIP3 7308 9.361 22.435 -7.884 1.00 0.00 WAT +ATOM 28235 OH2 TIP3 7309 1.728 31.901 -22.569 1.00 0.00 WAT +ATOM 28236 H1 TIP3 7309 2.679 32.061 -22.491 1.00 0.00 WAT +ATOM 28237 H2 TIP3 7309 1.531 32.392 -23.378 1.00 0.00 WAT +ATOM 28238 OH2 TIP3 7310 -4.354 26.344 -23.012 1.00 0.00 WAT +ATOM 28239 H1 TIP3 7310 -3.397 26.533 -22.923 1.00 0.00 WAT +ATOM 28240 H2 TIP3 7310 -4.355 25.583 -23.625 1.00 0.00 WAT +ATOM 28241 OH2 TIP3 7311 -5.340 31.554 -18.338 1.00 0.00 WAT +ATOM 28242 H1 TIP3 7311 -6.070 31.233 -18.903 1.00 0.00 WAT +ATOM 28243 H2 TIP3 7311 -5.314 30.861 -17.651 1.00 0.00 WAT +ATOM 28244 OH2 TIP3 7312 -5.013 29.541 -16.347 1.00 0.00 WAT +ATOM 28245 H1 TIP3 7312 -5.390 28.711 -16.015 1.00 0.00 WAT +ATOM 28246 H2 TIP3 7312 -4.739 29.934 -15.506 1.00 0.00 WAT +ATOM 28247 OH2 TIP3 7313 12.557 30.902 -13.350 1.00 0.00 WAT +ATOM 28248 H1 TIP3 7313 12.702 30.820 -12.395 1.00 0.00 WAT +ATOM 28249 H2 TIP3 7313 13.448 31.115 -13.662 1.00 0.00 WAT +ATOM 28250 OH2 TIP3 7314 12.452 30.290 -10.471 1.00 0.00 WAT +ATOM 28251 H1 TIP3 7314 11.937 29.534 -10.812 1.00 0.00 WAT +ATOM 28252 H2 TIP3 7314 13.007 29.832 -9.820 1.00 0.00 WAT +ATOM 28253 OH2 TIP3 7315 10.443 25.717 -6.176 1.00 0.00 WAT +ATOM 28254 H1 TIP3 7315 9.570 25.768 -5.756 1.00 0.00 WAT +ATOM 28255 H2 TIP3 7315 10.896 26.512 -5.853 1.00 0.00 WAT +ATOM 28256 OH2 TIP3 7316 11.831 24.641 -20.445 1.00 0.00 WAT +ATOM 28257 H1 TIP3 7316 12.738 24.944 -20.262 1.00 0.00 WAT +ATOM 28258 H2 TIP3 7316 11.724 23.993 -19.725 1.00 0.00 WAT +ATOM 28259 OH2 TIP3 7317 12.310 22.604 -18.490 1.00 0.00 WAT +ATOM 28260 H1 TIP3 7317 11.626 22.024 -18.088 1.00 0.00 WAT +ATOM 28261 H2 TIP3 7317 12.973 22.681 -17.777 1.00 0.00 WAT +ATOM 28262 OH2 TIP3 7318 12.043 25.087 -13.464 1.00 0.00 WAT +ATOM 28263 H1 TIP3 7318 12.639 24.574 -14.033 1.00 0.00 WAT +ATOM 28264 H2 TIP3 7318 12.171 25.990 -13.797 1.00 0.00 WAT +ATOM 28265 OH2 TIP3 7319 10.764 28.031 -11.260 1.00 0.00 WAT +ATOM 28266 H1 TIP3 7319 10.025 28.378 -10.731 1.00 0.00 WAT +ATOM 28267 H2 TIP3 7319 10.298 27.620 -12.016 1.00 0.00 WAT +ATOM 28268 OH2 TIP3 7320 12.620 22.047 -21.904 1.00 0.00 WAT +ATOM 28269 H1 TIP3 7320 12.046 22.314 -22.646 1.00 0.00 WAT +ATOM 28270 H2 TIP3 7320 12.440 22.758 -21.268 1.00 0.00 WAT +ATOM 28271 OH2 TIP3 7321 10.951 19.505 -23.631 1.00 0.00 WAT +ATOM 28272 H1 TIP3 7321 11.064 20.212 -24.280 1.00 0.00 WAT +ATOM 28273 H2 TIP3 7321 10.613 18.775 -24.171 1.00 0.00 WAT +ATOM 28274 OH2 TIP3 7322 10.400 20.711 -17.666 1.00 0.00 WAT +ATOM 28275 H1 TIP3 7322 9.972 19.923 -18.026 1.00 0.00 WAT +ATOM 28276 H2 TIP3 7322 9.672 21.118 -17.171 1.00 0.00 WAT +ATOM 28277 OH2 TIP3 7323 -4.841 22.935 -13.946 1.00 0.00 WAT +ATOM 28278 H1 TIP3 7323 -4.568 22.940 -14.881 1.00 0.00 WAT +ATOM 28279 H2 TIP3 7323 -3.999 22.680 -13.520 1.00 0.00 WAT +ATOM 28280 OH2 TIP3 7324 11.026 22.644 -8.502 1.00 0.00 WAT +ATOM 28281 H1 TIP3 7324 11.685 21.933 -8.402 1.00 0.00 WAT +ATOM 28282 H2 TIP3 7324 11.586 23.424 -8.606 1.00 0.00 WAT +ATOM 28283 OH2 TIP3 7325 12.831 20.737 -7.472 1.00 0.00 WAT +ATOM 28284 H1 TIP3 7325 11.960 20.296 -7.423 1.00 0.00 WAT +ATOM 28285 H2 TIP3 7325 13.435 20.013 -7.270 1.00 0.00 WAT +ATOM 28286 OH2 TIP3 7326 10.249 16.727 -24.538 1.00 0.00 WAT +ATOM 28287 H1 TIP3 7326 10.898 16.453 -23.862 1.00 0.00 WAT +ATOM 28288 H2 TIP3 7326 9.405 16.525 -24.118 1.00 0.00 WAT +ATOM 28289 OH2 TIP3 7327 9.944 18.215 -19.474 1.00 0.00 WAT +ATOM 28290 H1 TIP3 7327 10.292 17.303 -19.410 1.00 0.00 WAT +ATOM 28291 H2 TIP3 7327 10.704 18.667 -19.878 1.00 0.00 WAT +ATOM 28292 OH2 TIP3 7328 10.322 18.752 -14.090 1.00 0.00 WAT +ATOM 28293 H1 TIP3 7328 11.284 18.910 -14.154 1.00 0.00 WAT +ATOM 28294 H2 TIP3 7328 10.202 18.896 -13.130 1.00 0.00 WAT +ATOM 28295 OH2 TIP3 7329 10.430 19.484 -11.387 1.00 0.00 WAT +ATOM 28296 H1 TIP3 7329 9.631 19.870 -10.975 1.00 0.00 WAT +ATOM 28297 H2 TIP3 7329 11.004 20.267 -11.478 1.00 0.00 WAT +ATOM 28298 OH2 TIP3 7330 10.596 15.387 -19.388 1.00 0.00 WAT +ATOM 28299 H1 TIP3 7330 10.601 15.035 -18.481 1.00 0.00 WAT +ATOM 28300 H2 TIP3 7330 9.813 14.934 -19.752 1.00 0.00 WAT +ATOM 28301 OH2 TIP3 7331 -3.942 16.642 -14.645 1.00 0.00 WAT +ATOM 28302 H1 TIP3 7331 -3.647 15.720 -14.525 1.00 0.00 WAT +ATOM 28303 H2 TIP3 7331 -3.230 17.122 -14.214 1.00 0.00 WAT +ATOM 28304 OH2 TIP3 7332 -5.658 19.354 -13.700 1.00 0.00 WAT +ATOM 28305 H1 TIP3 7332 -5.050 19.139 -14.422 1.00 0.00 WAT +ATOM 28306 H2 TIP3 7332 -5.219 20.119 -13.312 1.00 0.00 WAT +ATOM 28307 OH2 TIP3 7333 12.511 15.918 -22.885 1.00 0.00 WAT +ATOM 28308 H1 TIP3 7333 12.835 15.104 -23.302 1.00 0.00 WAT +ATOM 28309 H2 TIP3 7333 13.335 16.408 -22.724 1.00 0.00 WAT +ATOM 28310 OH2 TIP3 7334 -5.169 15.605 -19.631 1.00 0.00 WAT +ATOM 28311 H1 TIP3 7334 -6.120 15.668 -19.817 1.00 0.00 WAT +ATOM 28312 H2 TIP3 7334 -4.770 16.215 -20.281 1.00 0.00 WAT +ATOM 28313 OH2 TIP3 7335 9.419 30.971 -17.545 1.00 0.00 WAT +ATOM 28314 H1 TIP3 7335 9.872 30.638 -18.339 1.00 0.00 WAT +ATOM 28315 H2 TIP3 7335 10.165 31.241 -16.997 1.00 0.00 WAT +ATOM 28316 OH2 TIP3 7336 -3.090 27.659 -6.839 1.00 0.00 WAT +ATOM 28317 H1 TIP3 7336 -3.829 27.603 -7.460 1.00 0.00 WAT +ATOM 28318 H2 TIP3 7336 -3.537 27.431 -5.994 1.00 0.00 WAT +ATOM 28319 OH2 TIP3 7337 -0.299 28.561 -11.187 1.00 0.00 WAT +ATOM 28320 H1 TIP3 7337 -0.617 29.441 -11.450 1.00 0.00 WAT +ATOM 28321 H2 TIP3 7337 0.660 28.679 -11.366 1.00 0.00 WAT +ATOM 28322 OH2 TIP3 7338 4.187 29.909 -8.120 1.00 0.00 WAT +ATOM 28323 H1 TIP3 7338 4.335 29.721 -7.178 1.00 0.00 WAT +ATOM 28324 H2 TIP3 7338 5.031 30.336 -8.369 1.00 0.00 WAT +ATOM 28325 OH2 TIP3 7339 6.488 31.355 -8.896 1.00 0.00 WAT +ATOM 28326 H1 TIP3 7339 7.175 30.707 -9.114 1.00 0.00 WAT +ATOM 28327 H2 TIP3 7339 6.788 31.659 -8.017 1.00 0.00 WAT +ATOM 28328 OH2 TIP3 7340 11.752 14.237 -9.891 1.00 0.00 WAT +ATOM 28329 H1 TIP3 7340 10.843 14.516 -9.731 1.00 0.00 WAT +ATOM 28330 H2 TIP3 7340 11.715 13.322 -9.603 1.00 0.00 WAT +ATOM 28331 OH2 TIP3 7341 -2.959 31.536 -10.850 1.00 0.00 WAT +ATOM 28332 H1 TIP3 7341 -3.569 32.191 -11.241 1.00 0.00 WAT +ATOM 28333 H2 TIP3 7341 -3.244 31.569 -9.927 1.00 0.00 WAT +ATOM 28334 OH2 TIP3 7342 -0.527 31.278 -12.376 1.00 0.00 WAT +ATOM 28335 H1 TIP3 7342 -1.312 31.500 -11.837 1.00 0.00 WAT +ATOM 28336 H2 TIP3 7342 -0.423 32.084 -12.919 1.00 0.00 WAT +ATOM 28337 OH2 TIP3 7343 4.272 31.353 -12.703 1.00 0.00 WAT +ATOM 28338 H1 TIP3 7343 4.028 31.909 -13.455 1.00 0.00 WAT +ATOM 28339 H2 TIP3 7343 4.404 32.025 -12.004 1.00 0.00 WAT +ATOM 28340 OH2 TIP3 7344 6.640 30.036 -11.776 1.00 0.00 WAT +ATOM 28341 H1 TIP3 7344 5.794 30.389 -12.101 1.00 0.00 WAT +ATOM 28342 H2 TIP3 7344 7.201 30.825 -11.776 1.00 0.00 WAT +ATOM 28343 OH2 TIP3 7345 9.155 31.761 -11.580 1.00 0.00 WAT +ATOM 28344 H1 TIP3 7345 9.130 32.711 -11.809 1.00 0.00 WAT +ATOM 28345 H2 TIP3 7345 9.446 31.377 -12.424 1.00 0.00 WAT +ATOM 28346 OH2 TIP3 7346 -3.115 30.150 -13.948 1.00 0.00 WAT +ATOM 28347 H1 TIP3 7346 -3.366 29.786 -13.071 1.00 0.00 WAT +ATOM 28348 H2 TIP3 7346 -2.208 29.844 -13.985 1.00 0.00 WAT +ATOM 28349 OH2 TIP3 7347 4.922 15.469 -15.280 1.00 0.00 WAT +ATOM 28350 H1 TIP3 7347 4.130 14.983 -15.017 1.00 0.00 WAT +ATOM 28351 H2 TIP3 7347 5.192 15.011 -16.087 1.00 0.00 WAT +ATOM 28352 OH2 TIP3 7348 11.553 14.398 -16.632 1.00 0.00 WAT +ATOM 28353 H1 TIP3 7348 12.261 14.019 -17.168 1.00 0.00 WAT +ATOM 28354 H2 TIP3 7348 11.839 15.322 -16.530 1.00 0.00 WAT +ATOM 28355 OH2 TIP3 7349 -2.671 13.791 -17.731 1.00 0.00 WAT +ATOM 28356 H1 TIP3 7349 -3.578 13.719 -18.088 1.00 0.00 WAT +ATOM 28357 H2 TIP3 7349 -2.419 12.871 -17.639 1.00 0.00 WAT +ATOM 28358 OH2 TIP3 7350 -4.068 13.616 -21.778 1.00 0.00 WAT +ATOM 28359 H1 TIP3 7350 -3.550 14.270 -22.284 1.00 0.00 WAT +ATOM 28360 H2 TIP3 7350 -4.454 14.163 -21.075 1.00 0.00 WAT +ATOM 28361 OH2 TIP3 7351 1.528 13.828 -17.693 1.00 0.00 WAT +ATOM 28362 H1 TIP3 7351 2.430 14.157 -17.830 1.00 0.00 WAT +ATOM 28363 H2 TIP3 7351 1.489 13.721 -16.735 1.00 0.00 WAT +ATOM 28364 OH2 TIP3 7352 8.220 14.008 -20.601 1.00 0.00 WAT +ATOM 28365 H1 TIP3 7352 7.419 14.567 -20.589 1.00 0.00 WAT +ATOM 28366 H2 TIP3 7352 7.896 13.201 -20.154 1.00 0.00 WAT +ATOM 28367 OH2 TIP3 7353 -3.894 29.589 -20.689 1.00 0.00 WAT +ATOM 28368 H1 TIP3 7353 -4.558 29.474 -21.387 1.00 0.00 WAT +ATOM 28369 H2 TIP3 7353 -3.953 30.548 -20.565 1.00 0.00 WAT +ATOM 28370 OH2 TIP3 7354 -2.380 15.452 -23.353 1.00 0.00 WAT +ATOM 28371 H1 TIP3 7354 -1.765 14.909 -23.875 1.00 0.00 WAT +ATOM 28372 H2 TIP3 7354 -1.777 15.808 -22.672 1.00 0.00 WAT +ATOM 28373 OH2 TIP3 7355 2.676 15.721 -20.711 1.00 0.00 WAT +ATOM 28374 H1 TIP3 7355 3.074 15.145 -20.040 1.00 0.00 WAT +ATOM 28375 H2 TIP3 7355 2.909 16.593 -20.366 1.00 0.00 WAT +ATOM 28376 OH2 TIP3 7356 4.788 31.450 -22.506 1.00 0.00 WAT +ATOM 28377 H1 TIP3 7356 5.759 31.417 -22.570 1.00 0.00 WAT +ATOM 28378 H2 TIP3 7356 4.550 30.791 -23.179 1.00 0.00 WAT +ATOM 28379 OH2 TIP3 7357 11.243 30.459 -19.935 1.00 0.00 WAT +ATOM 28380 H1 TIP3 7357 11.042 29.588 -20.336 1.00 0.00 WAT +ATOM 28381 H2 TIP3 7357 11.285 31.021 -20.724 1.00 0.00 WAT +ATOM 28382 OH2 TIP3 7358 -2.484 30.530 -23.852 1.00 0.00 WAT +ATOM 28383 H1 TIP3 7358 -2.727 30.833 -22.964 1.00 0.00 WAT +ATOM 28384 H2 TIP3 7358 -1.689 29.998 -23.687 1.00 0.00 WAT +ATOM 28385 OH2 TIP3 7359 10.771 29.236 -7.549 1.00 0.00 WAT +ATOM 28386 H1 TIP3 7359 10.035 29.029 -8.153 1.00 0.00 WAT +ATOM 28387 H2 TIP3 7359 10.585 30.172 -7.348 1.00 0.00 WAT +ATOM 28388 OH2 TIP3 7360 25.095 22.898 -17.562 1.00 0.00 WAT +ATOM 28389 H1 TIP3 7360 25.043 23.826 -17.282 1.00 0.00 WAT +ATOM 28390 H2 TIP3 7360 24.234 22.778 -17.984 1.00 0.00 WAT +ATOM 28391 OH2 TIP3 7361 23.901 22.288 -14.396 1.00 0.00 WAT +ATOM 28392 H1 TIP3 7361 23.823 21.816 -13.548 1.00 0.00 WAT +ATOM 28393 H2 TIP3 7361 23.515 21.642 -15.005 1.00 0.00 WAT +ATOM 28394 OH2 TIP3 7362 16.300 21.945 -12.677 1.00 0.00 WAT +ATOM 28395 H1 TIP3 7362 16.260 21.184 -12.066 1.00 0.00 WAT +ATOM 28396 H2 TIP3 7362 16.999 22.470 -12.262 1.00 0.00 WAT +ATOM 28397 OH2 TIP3 7363 27.466 25.068 -16.026 1.00 0.00 WAT +ATOM 28398 H1 TIP3 7363 27.123 24.387 -15.431 1.00 0.00 WAT +ATOM 28399 H2 TIP3 7363 27.837 25.687 -15.376 1.00 0.00 WAT +ATOM 28400 OH2 TIP3 7364 16.946 26.581 -14.192 1.00 0.00 WAT +ATOM 28401 H1 TIP3 7364 16.706 25.659 -14.432 1.00 0.00 WAT +ATOM 28402 H2 TIP3 7364 17.866 26.443 -13.925 1.00 0.00 WAT +ATOM 28403 OH2 TIP3 7365 13.935 19.940 -18.803 1.00 0.00 WAT +ATOM 28404 H1 TIP3 7365 13.537 20.814 -18.661 1.00 0.00 WAT +ATOM 28405 H2 TIP3 7365 13.194 19.462 -19.196 1.00 0.00 WAT +ATOM 28406 OH2 TIP3 7366 14.763 22.419 -16.925 1.00 0.00 WAT +ATOM 28407 H1 TIP3 7366 14.896 21.588 -16.430 1.00 0.00 WAT +ATOM 28408 H2 TIP3 7366 15.604 22.503 -17.392 1.00 0.00 WAT +ATOM 28409 OH2 TIP3 7367 24.553 30.439 -15.463 1.00 0.00 WAT +ATOM 28410 H1 TIP3 7367 25.141 29.726 -15.775 1.00 0.00 WAT +ATOM 28411 H2 TIP3 7367 24.289 30.107 -14.594 1.00 0.00 WAT +ATOM 28412 OH2 TIP3 7368 22.317 24.844 -13.793 1.00 0.00 WAT +ATOM 28413 H1 TIP3 7368 22.651 24.133 -14.362 1.00 0.00 WAT +ATOM 28414 H2 TIP3 7368 23.123 25.004 -13.263 1.00 0.00 WAT +ATOM 28415 OH2 TIP3 7369 31.025 16.352 -13.190 1.00 0.00 WAT +ATOM 28416 H1 TIP3 7369 31.142 16.972 -12.452 1.00 0.00 WAT +ATOM 28417 H2 TIP3 7369 31.639 16.728 -13.846 1.00 0.00 WAT +ATOM 28418 OH2 TIP3 7370 25.655 19.213 -13.291 1.00 0.00 WAT +ATOM 28419 H1 TIP3 7370 25.790 18.254 -13.218 1.00 0.00 WAT +ATOM 28420 H2 TIP3 7370 25.492 19.312 -14.244 1.00 0.00 WAT +ATOM 28421 OH2 TIP3 7371 18.600 17.228 -16.216 1.00 0.00 WAT +ATOM 28422 H1 TIP3 7371 18.706 18.095 -16.652 1.00 0.00 WAT +ATOM 28423 H2 TIP3 7371 18.201 16.714 -16.940 1.00 0.00 WAT +ATOM 28424 OH2 TIP3 7372 26.427 17.354 -17.916 1.00 0.00 WAT +ATOM 28425 H1 TIP3 7372 27.016 16.959 -17.233 1.00 0.00 WAT +ATOM 28426 H2 TIP3 7372 27.049 17.867 -18.440 1.00 0.00 WAT +ATOM 28427 OH2 TIP3 7373 15.277 19.921 -15.676 1.00 0.00 WAT +ATOM 28428 H1 TIP3 7373 15.897 19.448 -15.093 1.00 0.00 WAT +ATOM 28429 H2 TIP3 7373 15.370 19.418 -16.503 1.00 0.00 WAT +ATOM 28430 OH2 TIP3 7374 20.718 21.286 -16.219 1.00 0.00 WAT +ATOM 28431 H1 TIP3 7374 21.338 20.695 -15.748 1.00 0.00 WAT +ATOM 28432 H2 TIP3 7374 20.167 20.641 -16.699 1.00 0.00 WAT +ATOM 28433 OH2 TIP3 7375 31.656 17.708 -10.650 1.00 0.00 WAT +ATOM 28434 H1 TIP3 7375 31.252 18.523 -11.002 1.00 0.00 WAT +ATOM 28435 H2 TIP3 7375 31.340 17.747 -9.739 1.00 0.00 WAT +ATOM 28436 OH2 TIP3 7376 17.642 15.963 -12.034 1.00 0.00 WAT +ATOM 28437 H1 TIP3 7376 17.371 16.698 -12.595 1.00 0.00 WAT +ATOM 28438 H2 TIP3 7376 17.047 16.088 -11.273 1.00 0.00 WAT +ATOM 28439 OH2 TIP3 7377 24.937 25.787 -18.687 1.00 0.00 WAT +ATOM 28440 H1 TIP3 7377 24.497 25.525 -19.499 1.00 0.00 WAT +ATOM 28441 H2 TIP3 7377 24.445 26.590 -18.436 1.00 0.00 WAT +ATOM 28442 OH2 TIP3 7378 20.321 23.866 -11.903 1.00 0.00 WAT +ATOM 28443 H1 TIP3 7378 19.571 24.446 -11.653 1.00 0.00 WAT +ATOM 28444 H2 TIP3 7378 20.931 24.490 -12.333 1.00 0.00 WAT +ATOM 28445 OH2 TIP3 7379 28.255 16.622 -15.862 1.00 0.00 WAT +ATOM 28446 H1 TIP3 7379 27.839 16.023 -15.226 1.00 0.00 WAT +ATOM 28447 H2 TIP3 7379 28.745 17.220 -15.268 1.00 0.00 WAT +ATOM 28448 OH2 TIP3 7380 16.959 18.046 -14.101 1.00 0.00 WAT +ATOM 28449 H1 TIP3 7380 17.596 18.615 -13.612 1.00 0.00 WAT +ATOM 28450 H2 TIP3 7380 17.559 17.656 -14.773 1.00 0.00 WAT +ATOM 28451 OH2 TIP3 7381 18.294 25.743 -11.201 1.00 0.00 WAT +ATOM 28452 H1 TIP3 7381 18.248 26.680 -11.467 1.00 0.00 WAT +ATOM 28453 H2 TIP3 7381 17.436 25.650 -10.744 1.00 0.00 WAT +ATOM 28454 OH2 TIP3 7382 14.624 25.448 -20.307 1.00 0.00 WAT +ATOM 28455 H1 TIP3 7382 14.391 25.950 -21.106 1.00 0.00 WAT +ATOM 28456 H2 TIP3 7382 14.770 26.142 -19.632 1.00 0.00 WAT +ATOM 28457 OH2 TIP3 7383 28.059 26.752 -13.570 1.00 0.00 WAT +ATOM 28458 H1 TIP3 7383 27.140 27.063 -13.535 1.00 0.00 WAT +ATOM 28459 H2 TIP3 7383 28.525 27.529 -13.917 1.00 0.00 WAT +ATOM 28460 OH2 TIP3 7384 28.412 15.762 -11.954 1.00 0.00 WAT +ATOM 28461 H1 TIP3 7384 27.627 16.124 -12.402 1.00 0.00 WAT +ATOM 28462 H2 TIP3 7384 29.105 15.875 -12.627 1.00 0.00 WAT +ATOM 28463 OH2 TIP3 7385 21.493 13.516 -14.951 1.00 0.00 WAT +ATOM 28464 H1 TIP3 7385 21.285 12.562 -14.949 1.00 0.00 WAT +ATOM 28465 H2 TIP3 7385 20.653 13.890 -14.602 1.00 0.00 WAT +ATOM 28466 OH2 TIP3 7386 26.353 28.838 -17.002 1.00 0.00 WAT +ATOM 28467 H1 TIP3 7386 26.862 28.041 -17.234 1.00 0.00 WAT +ATOM 28468 H2 TIP3 7386 27.042 29.527 -17.043 1.00 0.00 WAT +ATOM 28469 OH2 TIP3 7387 27.876 26.626 -18.424 1.00 0.00 WAT +ATOM 28470 H1 TIP3 7387 27.173 26.244 -18.967 1.00 0.00 WAT +ATOM 28471 H2 TIP3 7387 27.809 26.087 -17.613 1.00 0.00 WAT +ATOM 28472 OH2 TIP3 7388 29.125 25.403 -9.984 1.00 0.00 WAT +ATOM 28473 H1 TIP3 7388 29.347 24.718 -10.651 1.00 0.00 WAT +ATOM 28474 H2 TIP3 7388 29.488 26.204 -10.392 1.00 0.00 WAT +ATOM 28475 OH2 TIP3 7389 23.621 22.403 -20.170 1.00 0.00 WAT +ATOM 28476 H1 TIP3 7389 22.944 23.024 -20.503 1.00 0.00 WAT +ATOM 28477 H2 TIP3 7389 24.313 22.487 -20.840 1.00 0.00 WAT +ATOM 28478 OH2 TIP3 7390 23.932 20.579 -23.053 1.00 0.00 WAT +ATOM 28479 H1 TIP3 7390 24.651 20.933 -22.501 1.00 0.00 WAT +ATOM 28480 H2 TIP3 7390 24.425 20.067 -23.708 1.00 0.00 WAT +ATOM 28481 OH2 TIP3 7391 27.388 22.027 -18.787 1.00 0.00 WAT +ATOM 28482 H1 TIP3 7391 26.645 22.607 -18.506 1.00 0.00 WAT +ATOM 28483 H2 TIP3 7391 27.463 21.550 -17.947 1.00 0.00 WAT +ATOM 28484 OH2 TIP3 7392 26.951 20.897 -10.222 1.00 0.00 WAT +ATOM 28485 H1 TIP3 7392 26.994 21.668 -9.636 1.00 0.00 WAT +ATOM 28486 H2 TIP3 7392 26.357 21.252 -10.904 1.00 0.00 WAT +ATOM 28487 OH2 TIP3 7393 18.745 23.204 -17.328 1.00 0.00 WAT +ATOM 28488 H1 TIP3 7393 18.414 22.749 -18.125 1.00 0.00 WAT +ATOM 28489 H2 TIP3 7393 19.354 22.544 -16.955 1.00 0.00 WAT +ATOM 28490 OH2 TIP3 7394 20.109 26.623 -14.576 1.00 0.00 WAT +ATOM 28491 H1 TIP3 7394 19.980 26.182 -15.426 1.00 0.00 WAT +ATOM 28492 H2 TIP3 7394 20.886 26.146 -14.225 1.00 0.00 WAT +ATOM 28493 OH2 TIP3 7395 19.289 22.077 -13.875 1.00 0.00 WAT +ATOM 28494 H1 TIP3 7395 19.934 22.065 -14.605 1.00 0.00 WAT +ATOM 28495 H2 TIP3 7395 19.704 22.673 -13.225 1.00 0.00 WAT +ATOM 28496 OH2 TIP3 7396 25.186 27.546 -13.247 1.00 0.00 WAT +ATOM 28497 H1 TIP3 7396 25.286 28.195 -12.530 1.00 0.00 WAT +ATOM 28498 H2 TIP3 7396 25.060 26.706 -12.773 1.00 0.00 WAT +ATOM 28499 OH2 TIP3 7397 20.155 26.331 -8.978 1.00 0.00 WAT +ATOM 28500 H1 TIP3 7397 19.632 26.989 -8.486 1.00 0.00 WAT +ATOM 28501 H2 TIP3 7397 19.515 26.046 -9.657 1.00 0.00 WAT +ATOM 28502 OH2 TIP3 7398 26.177 21.706 -21.536 1.00 0.00 WAT +ATOM 28503 H1 TIP3 7398 26.669 22.031 -20.763 1.00 0.00 WAT +ATOM 28504 H2 TIP3 7398 26.599 22.251 -22.250 1.00 0.00 WAT +ATOM 28505 OH2 TIP3 7399 17.115 22.768 -9.910 1.00 0.00 WAT +ATOM 28506 H1 TIP3 7399 17.168 23.240 -9.063 1.00 0.00 WAT +ATOM 28507 H2 TIP3 7399 16.175 22.516 -9.929 1.00 0.00 WAT +ATOM 28508 OH2 TIP3 7400 23.536 28.463 -18.060 1.00 0.00 WAT +ATOM 28509 H1 TIP3 7400 24.017 28.750 -17.274 1.00 0.00 WAT +ATOM 28510 H2 TIP3 7400 23.039 29.256 -18.313 1.00 0.00 WAT +ATOM 28511 OH2 TIP3 7401 18.245 28.526 -8.149 1.00 0.00 WAT +ATOM 28512 H1 TIP3 7401 18.135 28.535 -9.115 1.00 0.00 WAT +ATOM 28513 H2 TIP3 7401 17.369 28.239 -7.828 1.00 0.00 WAT +ATOM 28514 OH2 TIP3 7402 29.516 13.632 -22.107 1.00 0.00 WAT +ATOM 28515 H1 TIP3 7402 28.649 13.726 -21.667 1.00 0.00 WAT +ATOM 28516 H2 TIP3 7402 29.866 14.534 -22.058 1.00 0.00 WAT +ATOM 28517 OH2 TIP3 7403 17.644 21.939 -19.768 1.00 0.00 WAT +ATOM 28518 H1 TIP3 7403 17.427 22.700 -20.333 1.00 0.00 WAT +ATOM 28519 H2 TIP3 7403 16.980 21.291 -20.041 1.00 0.00 WAT +ATOM 28520 OH2 TIP3 7404 30.910 27.751 -23.603 1.00 0.00 WAT +ATOM 28521 H1 TIP3 7404 31.064 28.685 -23.360 1.00 0.00 WAT +ATOM 28522 H2 TIP3 7404 31.774 27.345 -23.395 1.00 0.00 WAT +ATOM 28523 OH2 TIP3 7405 13.694 24.613 -11.036 1.00 0.00 WAT +ATOM 28524 H1 TIP3 7405 13.259 24.590 -11.910 1.00 0.00 WAT +ATOM 28525 H2 TIP3 7405 13.871 23.667 -10.872 1.00 0.00 WAT +ATOM 28526 OH2 TIP3 7406 13.773 27.578 -14.131 1.00 0.00 WAT +ATOM 28527 H1 TIP3 7406 14.675 27.228 -14.074 1.00 0.00 WAT +ATOM 28528 H2 TIP3 7406 13.728 28.117 -13.329 1.00 0.00 WAT +ATOM 28529 OH2 TIP3 7407 32.125 28.007 -8.293 1.00 0.00 WAT +ATOM 28530 H1 TIP3 7407 31.985 27.052 -8.473 1.00 0.00 WAT +ATOM 28531 H2 TIP3 7407 31.211 28.276 -8.066 1.00 0.00 WAT +ATOM 28532 OH2 TIP3 7408 22.786 27.374 -9.540 1.00 0.00 WAT +ATOM 28533 H1 TIP3 7408 22.862 28.198 -9.019 1.00 0.00 WAT +ATOM 28534 H2 TIP3 7408 21.883 27.076 -9.309 1.00 0.00 WAT +ATOM 28535 OH2 TIP3 7409 23.059 31.192 -19.572 1.00 0.00 WAT +ATOM 28536 H1 TIP3 7409 23.088 31.289 -20.539 1.00 0.00 WAT +ATOM 28537 H2 TIP3 7409 23.127 32.107 -19.257 1.00 0.00 WAT +ATOM 28538 OH2 TIP3 7410 16.868 30.343 -17.927 1.00 0.00 WAT +ATOM 28539 H1 TIP3 7410 17.042 29.880 -17.081 1.00 0.00 WAT +ATOM 28540 H2 TIP3 7410 16.070 29.887 -18.227 1.00 0.00 WAT +ATOM 28541 OH2 TIP3 7411 26.376 30.606 -22.395 1.00 0.00 WAT +ATOM 28542 H1 TIP3 7411 26.949 29.946 -22.830 1.00 0.00 WAT +ATOM 28543 H2 TIP3 7411 26.318 30.241 -21.488 1.00 0.00 WAT +ATOM 28544 OH2 TIP3 7412 25.767 30.034 -19.597 1.00 0.00 WAT +ATOM 28545 H1 TIP3 7412 24.815 30.155 -19.436 1.00 0.00 WAT +ATOM 28546 H2 TIP3 7412 25.961 29.354 -18.927 1.00 0.00 WAT +ATOM 28547 OH2 TIP3 7413 28.754 19.421 -7.731 1.00 0.00 WAT +ATOM 28548 H1 TIP3 7413 28.771 20.014 -8.491 1.00 0.00 WAT +ATOM 28549 H2 TIP3 7413 29.038 18.584 -8.139 1.00 0.00 WAT +ATOM 28550 OH2 TIP3 7414 15.878 26.177 -9.781 1.00 0.00 WAT +ATOM 28551 H1 TIP3 7414 16.180 25.690 -8.985 1.00 0.00 WAT +ATOM 28552 H2 TIP3 7414 15.171 25.603 -10.127 1.00 0.00 WAT +ATOM 28553 OH2 TIP3 7415 19.009 14.600 -14.144 1.00 0.00 WAT +ATOM 28554 H1 TIP3 7415 18.087 14.413 -14.392 1.00 0.00 WAT +ATOM 28555 H2 TIP3 7415 18.866 15.247 -13.425 1.00 0.00 WAT +ATOM 28556 OH2 TIP3 7416 23.371 14.012 -10.257 1.00 0.00 WAT +ATOM 28557 H1 TIP3 7416 23.812 13.486 -9.569 1.00 0.00 WAT +ATOM 28558 H2 TIP3 7416 22.432 13.886 -10.085 1.00 0.00 WAT +ATOM 28559 OH2 TIP3 7417 26.519 17.965 -9.886 1.00 0.00 WAT +ATOM 28560 H1 TIP3 7417 26.076 17.896 -9.025 1.00 0.00 WAT +ATOM 28561 H2 TIP3 7417 26.625 18.928 -10.003 1.00 0.00 WAT +ATOM 28562 OH2 TIP3 7418 27.607 22.861 -23.588 1.00 0.00 WAT +ATOM 28563 H1 TIP3 7418 27.404 22.757 -24.537 1.00 0.00 WAT +ATOM 28564 H2 TIP3 7418 28.518 23.203 -23.636 1.00 0.00 WAT +ATOM 28565 OH2 TIP3 7419 23.322 16.711 -23.120 1.00 0.00 WAT +ATOM 28566 H1 TIP3 7419 22.803 16.598 -22.308 1.00 0.00 WAT +ATOM 28567 H2 TIP3 7419 22.889 16.056 -23.694 1.00 0.00 WAT +ATOM 28568 OH2 TIP3 7420 18.852 19.442 -12.691 1.00 0.00 WAT +ATOM 28569 H1 TIP3 7420 18.437 19.538 -11.819 1.00 0.00 WAT +ATOM 28570 H2 TIP3 7420 18.946 20.368 -12.990 1.00 0.00 WAT +ATOM 28571 OH2 TIP3 7421 18.886 19.526 -17.757 1.00 0.00 WAT +ATOM 28572 H1 TIP3 7421 17.928 19.420 -17.900 1.00 0.00 WAT +ATOM 28573 H2 TIP3 7421 19.226 19.292 -18.642 1.00 0.00 WAT +ATOM 28574 OH2 TIP3 7422 24.513 20.051 -18.998 1.00 0.00 WAT +ATOM 28575 H1 TIP3 7422 24.066 20.884 -19.264 1.00 0.00 WAT +ATOM 28576 H2 TIP3 7422 25.192 19.998 -19.675 1.00 0.00 WAT +ATOM 28577 OH2 TIP3 7423 23.773 20.341 -7.678 1.00 0.00 WAT +ATOM 28578 H1 TIP3 7423 23.209 19.651 -7.283 1.00 0.00 WAT +ATOM 28579 H2 TIP3 7423 24.638 20.154 -7.267 1.00 0.00 WAT +ATOM 28580 OH2 TIP3 7424 25.299 19.474 -16.169 1.00 0.00 WAT +ATOM 28581 H1 TIP3 7424 24.980 20.019 -16.913 1.00 0.00 WAT +ATOM 28582 H2 TIP3 7424 25.496 18.642 -16.637 1.00 0.00 WAT +ATOM 28583 OH2 TIP3 7425 16.207 19.638 -10.777 1.00 0.00 WAT +ATOM 28584 H1 TIP3 7425 16.657 19.845 -9.949 1.00 0.00 WAT +ATOM 28585 H2 TIP3 7425 15.972 18.701 -10.641 1.00 0.00 WAT +ATOM 28586 OH2 TIP3 7426 19.720 17.169 -24.229 1.00 0.00 WAT +ATOM 28587 H1 TIP3 7426 19.365 16.832 -23.380 1.00 0.00 WAT +ATOM 28588 H2 TIP3 7426 18.913 17.312 -24.739 1.00 0.00 WAT +ATOM 28589 OH2 TIP3 7427 13.079 16.926 -17.112 1.00 0.00 WAT +ATOM 28590 H1 TIP3 7427 13.701 16.938 -16.361 1.00 0.00 WAT +ATOM 28591 H2 TIP3 7427 13.610 16.559 -17.828 1.00 0.00 WAT +ATOM 28592 OH2 TIP3 7428 14.715 17.462 -21.431 1.00 0.00 WAT +ATOM 28593 H1 TIP3 7428 15.272 17.957 -22.065 1.00 0.00 WAT +ATOM 28594 H2 TIP3 7428 14.020 18.119 -21.242 1.00 0.00 WAT +ATOM 28595 OH2 TIP3 7429 24.445 21.146 -11.753 1.00 0.00 WAT +ATOM 28596 H1 TIP3 7429 24.900 20.414 -12.227 1.00 0.00 WAT +ATOM 28597 H2 TIP3 7429 24.163 20.710 -10.940 1.00 0.00 WAT +ATOM 28598 OH2 TIP3 7430 21.639 17.073 -16.716 1.00 0.00 WAT +ATOM 28599 H1 TIP3 7430 20.695 17.057 -16.473 1.00 0.00 WAT +ATOM 28600 H2 TIP3 7430 22.054 16.904 -15.853 1.00 0.00 WAT +ATOM 28601 OH2 TIP3 7431 16.217 18.311 -18.042 1.00 0.00 WAT +ATOM 28602 H1 TIP3 7431 15.398 18.589 -18.493 1.00 0.00 WAT +ATOM 28603 H2 TIP3 7431 16.491 17.515 -18.535 1.00 0.00 WAT +ATOM 28604 OH2 TIP3 7432 19.869 18.624 -20.369 1.00 0.00 WAT +ATOM 28605 H1 TIP3 7432 20.830 18.746 -20.299 1.00 0.00 WAT +ATOM 28606 H2 TIP3 7432 19.600 19.244 -21.069 1.00 0.00 WAT +ATOM 28607 OH2 TIP3 7433 26.038 16.233 -13.702 1.00 0.00 WAT +ATOM 28608 H1 TIP3 7433 25.422 16.222 -12.935 1.00 0.00 WAT +ATOM 28609 H2 TIP3 7433 25.436 15.904 -14.393 1.00 0.00 WAT +ATOM 28610 OH2 TIP3 7434 18.323 19.881 -22.575 1.00 0.00 WAT +ATOM 28611 H1 TIP3 7434 17.720 19.614 -23.286 1.00 0.00 WAT +ATOM 28612 H2 TIP3 7434 19.129 20.083 -23.080 1.00 0.00 WAT +ATOM 28613 OH2 TIP3 7435 29.048 32.020 -7.030 1.00 0.00 WAT +ATOM 28614 H1 TIP3 7435 29.286 32.448 -7.871 1.00 0.00 WAT +ATOM 28615 H2 TIP3 7435 29.775 32.307 -6.451 1.00 0.00 WAT +ATOM 28616 OH2 TIP3 7436 16.979 24.679 -7.607 1.00 0.00 WAT +ATOM 28617 H1 TIP3 7436 17.641 24.728 -6.887 1.00 0.00 WAT +ATOM 28618 H2 TIP3 7436 16.167 24.566 -7.075 1.00 0.00 WAT +ATOM 28619 OH2 TIP3 7437 22.636 19.579 -14.759 1.00 0.00 WAT +ATOM 28620 H1 TIP3 7437 23.365 19.113 -15.185 1.00 0.00 WAT +ATOM 28621 H2 TIP3 7437 22.422 18.975 -14.008 1.00 0.00 WAT +ATOM 28622 OH2 TIP3 7438 17.934 16.030 -18.762 1.00 0.00 WAT +ATOM 28623 H1 TIP3 7438 17.411 15.247 -18.516 1.00 0.00 WAT +ATOM 28624 H2 TIP3 7438 18.761 15.639 -19.073 1.00 0.00 WAT +ATOM 28625 OH2 TIP3 7439 21.678 18.010 -12.670 1.00 0.00 WAT +ATOM 28626 H1 TIP3 7439 20.740 18.235 -12.573 1.00 0.00 WAT +ATOM 28627 H2 TIP3 7439 22.001 18.094 -11.755 1.00 0.00 WAT +ATOM 28628 OH2 TIP3 7440 21.802 24.459 -20.744 1.00 0.00 WAT +ATOM 28629 H1 TIP3 7440 21.034 23.961 -21.098 1.00 0.00 WAT +ATOM 28630 H2 TIP3 7440 21.585 24.523 -19.784 1.00 0.00 WAT +ATOM 28631 OH2 TIP3 7441 29.286 23.588 -12.076 1.00 0.00 WAT +ATOM 28632 H1 TIP3 7441 29.879 23.875 -12.780 1.00 0.00 WAT +ATOM 28633 H2 TIP3 7441 28.441 23.485 -12.537 1.00 0.00 WAT +ATOM 28634 OH2 TIP3 7442 25.928 17.368 -22.709 1.00 0.00 WAT +ATOM 28635 H1 TIP3 7442 24.976 17.266 -22.950 1.00 0.00 WAT +ATOM 28636 H2 TIP3 7442 25.981 18.302 -22.491 1.00 0.00 WAT +ATOM 28637 OH2 TIP3 7443 23.427 24.484 -9.438 1.00 0.00 WAT +ATOM 28638 H1 TIP3 7443 23.118 24.153 -8.585 1.00 0.00 WAT +ATOM 28639 H2 TIP3 7443 23.128 25.406 -9.429 1.00 0.00 WAT +ATOM 28640 OH2 TIP3 7444 27.616 19.246 -20.345 1.00 0.00 WAT +ATOM 28641 H1 TIP3 7444 28.026 18.663 -21.000 1.00 0.00 WAT +ATOM 28642 H2 TIP3 7444 27.062 19.817 -20.908 1.00 0.00 WAT +ATOM 28643 OH2 TIP3 7445 16.922 23.880 -14.929 1.00 0.00 WAT +ATOM 28644 H1 TIP3 7445 17.497 23.753 -15.700 1.00 0.00 WAT +ATOM 28645 H2 TIP3 7445 17.024 23.032 -14.464 1.00 0.00 WAT +ATOM 28646 OH2 TIP3 7446 24.182 25.828 -21.829 1.00 0.00 WAT +ATOM 28647 H1 TIP3 7446 23.943 26.694 -21.440 1.00 0.00 WAT +ATOM 28648 H2 TIP3 7446 23.422 25.287 -21.548 1.00 0.00 WAT +ATOM 28649 OH2 TIP3 7447 14.226 22.156 -9.651 1.00 0.00 WAT +ATOM 28650 H1 TIP3 7447 14.316 21.700 -8.789 1.00 0.00 WAT +ATOM 28651 H2 TIP3 7447 13.635 21.555 -10.132 1.00 0.00 WAT +ATOM 28652 OH2 TIP3 7448 21.173 21.709 -7.725 1.00 0.00 WAT +ATOM 28653 H1 TIP3 7448 20.829 21.403 -8.581 1.00 0.00 WAT +ATOM 28654 H2 TIP3 7448 22.096 21.414 -7.796 1.00 0.00 WAT +ATOM 28655 OH2 TIP3 7449 25.674 27.078 -9.984 1.00 0.00 WAT +ATOM 28656 H1 TIP3 7449 24.707 27.167 -10.009 1.00 0.00 WAT +ATOM 28657 H2 TIP3 7449 25.877 27.319 -9.068 1.00 0.00 WAT +ATOM 28658 OH2 TIP3 7450 30.978 19.267 -20.936 1.00 0.00 WAT +ATOM 28659 H1 TIP3 7450 30.626 18.818 -21.730 1.00 0.00 WAT +ATOM 28660 H2 TIP3 7450 31.233 20.121 -21.347 1.00 0.00 WAT +ATOM 28661 OH2 TIP3 7451 31.622 25.221 -8.349 1.00 0.00 WAT +ATOM 28662 H1 TIP3 7451 30.659 25.130 -8.478 1.00 0.00 WAT +ATOM 28663 H2 TIP3 7451 31.937 24.698 -9.110 1.00 0.00 WAT +ATOM 28664 OH2 TIP3 7452 29.303 27.670 -21.173 1.00 0.00 WAT +ATOM 28665 H1 TIP3 7452 29.215 26.992 -20.486 1.00 0.00 WAT +ATOM 28666 H2 TIP3 7452 30.002 27.333 -21.749 1.00 0.00 WAT +ATOM 28667 OH2 TIP3 7453 26.745 23.012 -13.708 1.00 0.00 WAT +ATOM 28668 H1 TIP3 7453 25.811 22.816 -13.913 1.00 0.00 WAT +ATOM 28669 H2 TIP3 7453 27.204 22.270 -14.116 1.00 0.00 WAT +ATOM 28670 OH2 TIP3 7454 19.312 27.134 -17.706 1.00 0.00 WAT +ATOM 28671 H1 TIP3 7454 19.728 28.007 -17.787 1.00 0.00 WAT +ATOM 28672 H2 TIP3 7454 18.387 27.336 -17.888 1.00 0.00 WAT +ATOM 28673 OH2 TIP3 7455 15.293 21.948 -23.069 1.00 0.00 WAT +ATOM 28674 H1 TIP3 7455 15.857 22.630 -22.660 1.00 0.00 WAT +ATOM 28675 H2 TIP3 7455 14.417 22.174 -22.697 1.00 0.00 WAT +ATOM 28676 OH2 TIP3 7456 21.140 24.840 -18.064 1.00 0.00 WAT +ATOM 28677 H1 TIP3 7456 20.826 25.745 -17.901 1.00 0.00 WAT +ATOM 28678 H2 TIP3 7456 20.441 24.323 -17.631 1.00 0.00 WAT +ATOM 28679 OH2 TIP3 7457 21.302 29.104 -11.693 1.00 0.00 WAT +ATOM 28680 H1 TIP3 7457 21.873 29.841 -11.971 1.00 0.00 WAT +ATOM 28681 H2 TIP3 7457 21.914 28.592 -11.141 1.00 0.00 WAT +ATOM 28682 OH2 TIP3 7458 19.748 30.052 -18.462 1.00 0.00 WAT +ATOM 28683 H1 TIP3 7458 18.794 30.200 -18.364 1.00 0.00 WAT +ATOM 28684 H2 TIP3 7458 20.106 30.925 -18.214 1.00 0.00 WAT +ATOM 28685 OH2 TIP3 7459 24.729 24.804 -12.171 1.00 0.00 WAT +ATOM 28686 H1 TIP3 7459 24.451 24.567 -11.270 1.00 0.00 WAT +ATOM 28687 H2 TIP3 7459 25.512 24.242 -12.295 1.00 0.00 WAT +ATOM 28688 OH2 TIP3 7460 26.883 26.125 -23.208 1.00 0.00 WAT +ATOM 28689 H1 TIP3 7460 27.311 25.712 -22.438 1.00 0.00 WAT +ATOM 28690 H2 TIP3 7460 25.954 26.003 -22.948 1.00 0.00 WAT +ATOM 28691 OH2 TIP3 7461 27.596 29.446 -9.674 1.00 0.00 WAT +ATOM 28692 H1 TIP3 7461 26.883 28.975 -10.146 1.00 0.00 WAT +ATOM 28693 H2 TIP3 7461 27.783 30.192 -10.272 1.00 0.00 WAT +ATOM 28694 OH2 TIP3 7462 31.618 30.410 -22.673 1.00 0.00 WAT +ATOM 28695 H1 TIP3 7462 32.321 31.050 -22.875 1.00 0.00 WAT +ATOM 28696 H2 TIP3 7462 30.853 31.014 -22.670 1.00 0.00 WAT +ATOM 28697 OH2 TIP3 7463 15.556 16.836 -10.245 1.00 0.00 WAT +ATOM 28698 H1 TIP3 7463 14.624 17.127 -10.297 1.00 0.00 WAT +ATOM 28699 H2 TIP3 7463 15.470 15.980 -9.804 1.00 0.00 WAT +ATOM 28700 OH2 TIP3 7464 27.837 24.624 -20.831 1.00 0.00 WAT +ATOM 28701 H1 TIP3 7464 27.635 24.029 -20.102 1.00 0.00 WAT +ATOM 28702 H2 TIP3 7464 28.791 24.765 -20.721 1.00 0.00 WAT +ATOM 28703 OH2 TIP3 7465 15.268 28.543 -11.653 1.00 0.00 WAT +ATOM 28704 H1 TIP3 7465 15.552 27.631 -11.487 1.00 0.00 WAT +ATOM 28705 H2 TIP3 7465 15.485 28.945 -10.803 1.00 0.00 WAT +ATOM 28706 OH2 TIP3 7466 21.124 27.204 -24.633 1.00 0.00 WAT +ATOM 28707 H1 TIP3 7466 21.409 26.410 -25.120 1.00 0.00 WAT +ATOM 28708 H2 TIP3 7466 20.698 26.809 -23.853 1.00 0.00 WAT +ATOM 28709 OH2 TIP3 7467 19.976 26.720 -21.927 1.00 0.00 WAT +ATOM 28710 H1 TIP3 7467 20.462 26.192 -21.278 1.00 0.00 WAT +ATOM 28711 H2 TIP3 7467 20.112 27.633 -21.594 1.00 0.00 WAT +ATOM 28712 OH2 TIP3 7468 16.803 24.164 -21.530 1.00 0.00 WAT +ATOM 28713 H1 TIP3 7468 16.071 24.533 -20.997 1.00 0.00 WAT +ATOM 28714 H2 TIP3 7468 17.268 24.976 -21.790 1.00 0.00 WAT +ATOM 28715 OH2 TIP3 7469 24.493 16.496 -11.470 1.00 0.00 WAT +ATOM 28716 H1 TIP3 7469 25.093 16.812 -10.773 1.00 0.00 WAT +ATOM 28717 H2 TIP3 7469 23.966 15.812 -11.024 1.00 0.00 WAT +ATOM 28718 OH2 TIP3 7470 25.108 16.035 -20.233 1.00 0.00 WAT +ATOM 28719 H1 TIP3 7470 25.320 16.532 -21.043 1.00 0.00 WAT +ATOM 28720 H2 TIP3 7470 25.562 16.540 -19.536 1.00 0.00 WAT +ATOM 28721 OH2 TIP3 7471 22.915 28.338 -21.294 1.00 0.00 WAT +ATOM 28722 H1 TIP3 7471 22.102 28.833 -21.105 1.00 0.00 WAT +ATOM 28723 H2 TIP3 7471 23.269 28.821 -22.053 1.00 0.00 WAT +ATOM 28724 OH2 TIP3 7472 22.538 18.059 -19.290 1.00 0.00 WAT +ATOM 28725 H1 TIP3 7472 23.275 18.678 -19.114 1.00 0.00 WAT +ATOM 28726 H2 TIP3 7472 22.215 17.876 -18.386 1.00 0.00 WAT +ATOM 28727 OH2 TIP3 7473 22.802 18.871 -10.018 1.00 0.00 WAT +ATOM 28728 H1 TIP3 7473 22.999 19.518 -9.322 1.00 0.00 WAT +ATOM 28729 H2 TIP3 7473 23.521 18.238 -9.925 1.00 0.00 WAT +ATOM 28730 OH2 TIP3 7474 23.080 15.059 -18.360 1.00 0.00 WAT +ATOM 28731 H1 TIP3 7474 22.892 15.724 -17.670 1.00 0.00 WAT +ATOM 28732 H2 TIP3 7474 23.814 15.487 -18.843 1.00 0.00 WAT +ATOM 28733 OH2 TIP3 7475 20.111 29.419 -21.290 1.00 0.00 WAT +ATOM 28734 H1 TIP3 7475 20.049 30.237 -21.826 1.00 0.00 WAT +ATOM 28735 H2 TIP3 7475 19.982 29.758 -20.384 1.00 0.00 WAT +ATOM 28736 OH2 TIP3 7476 18.848 16.089 -21.845 1.00 0.00 WAT +ATOM 28737 H1 TIP3 7476 18.822 16.829 -21.214 1.00 0.00 WAT +ATOM 28738 H2 TIP3 7476 19.654 15.623 -21.548 1.00 0.00 WAT +ATOM 28739 OH2 TIP3 7477 29.163 17.021 -9.243 1.00 0.00 WAT +ATOM 28740 H1 TIP3 7477 28.200 17.112 -9.380 1.00 0.00 WAT +ATOM 28741 H2 TIP3 7477 29.412 16.770 -10.147 1.00 0.00 WAT +ATOM 28742 OH2 TIP3 7478 27.913 20.689 -15.959 1.00 0.00 WAT +ATOM 28743 H1 TIP3 7478 26.988 20.434 -15.796 1.00 0.00 WAT +ATOM 28744 H2 TIP3 7478 28.369 20.196 -15.246 1.00 0.00 WAT +ATOM 28745 OH2 TIP3 7479 17.240 26.976 -22.761 1.00 0.00 WAT +ATOM 28746 H1 TIP3 7479 17.984 27.455 -22.358 1.00 0.00 WAT +ATOM 28747 H2 TIP3 7479 17.728 26.464 -23.425 1.00 0.00 WAT +ATOM 28748 OH2 TIP3 7480 15.392 19.156 -23.653 1.00 0.00 WAT +ATOM 28749 H1 TIP3 7480 15.499 20.094 -23.405 1.00 0.00 WAT +ATOM 28750 H2 TIP3 7480 14.499 19.147 -24.017 1.00 0.00 WAT +ATOM 28751 OH2 TIP3 7481 28.620 29.715 -13.812 1.00 0.00 WAT +ATOM 28752 H1 TIP3 7481 28.577 30.560 -14.299 1.00 0.00 WAT +ATOM 28753 H2 TIP3 7481 29.563 29.670 -13.602 1.00 0.00 WAT +ATOM 28754 OH2 TIP3 7482 16.153 13.687 -14.691 1.00 0.00 WAT +ATOM 28755 H1 TIP3 7482 16.011 13.858 -15.635 1.00 0.00 WAT +ATOM 28756 H2 TIP3 7482 15.710 12.843 -14.544 1.00 0.00 WAT +ATOM 28757 OH2 TIP3 7483 15.205 27.683 -18.564 1.00 0.00 WAT +ATOM 28758 H1 TIP3 7483 14.412 28.187 -18.342 1.00 0.00 WAT +ATOM 28759 H2 TIP3 7483 15.570 28.197 -19.300 1.00 0.00 WAT +ATOM 28760 OH2 TIP3 7484 14.594 30.588 -7.434 1.00 0.00 WAT +ATOM 28761 H1 TIP3 7484 15.185 30.300 -6.711 1.00 0.00 WAT +ATOM 28762 H2 TIP3 7484 14.217 29.731 -7.718 1.00 0.00 WAT +ATOM 28763 OH2 TIP3 7485 19.275 29.617 -5.612 1.00 0.00 WAT +ATOM 28764 H1 TIP3 7485 19.996 28.989 -5.451 1.00 0.00 WAT +ATOM 28765 H2 TIP3 7485 19.048 29.399 -6.532 1.00 0.00 WAT +ATOM 28766 OH2 TIP3 7486 23.344 28.906 -24.133 1.00 0.00 WAT +ATOM 28767 H1 TIP3 7486 22.584 28.291 -24.225 1.00 0.00 WAT +ATOM 28768 H2 TIP3 7486 24.051 28.356 -24.504 1.00 0.00 WAT +ATOM 28769 OH2 TIP3 7487 25.719 27.956 -7.028 1.00 0.00 WAT +ATOM 28770 H1 TIP3 7487 25.390 27.105 -6.691 1.00 0.00 WAT +ATOM 28771 H2 TIP3 7487 26.462 28.149 -6.429 1.00 0.00 WAT +ATOM 28772 OH2 TIP3 7488 27.965 28.801 -24.031 1.00 0.00 WAT +ATOM 28773 H1 TIP3 7488 28.142 28.021 -23.479 1.00 0.00 WAT +ATOM 28774 H2 TIP3 7488 28.766 28.843 -24.583 1.00 0.00 WAT +ATOM 28775 OH2 TIP3 7489 14.562 24.261 -6.328 1.00 0.00 WAT +ATOM 28776 H1 TIP3 7489 14.643 23.322 -6.563 1.00 0.00 WAT +ATOM 28777 H2 TIP3 7489 13.791 24.521 -6.869 1.00 0.00 WAT +ATOM 28778 OH2 TIP3 7490 18.766 24.644 -24.297 1.00 0.00 WAT +ATOM 28779 H1 TIP3 7490 18.916 24.052 -23.542 1.00 0.00 WAT +ATOM 28780 H2 TIP3 7490 19.631 24.594 -24.745 1.00 0.00 WAT +ATOM 28781 OH2 TIP3 7491 21.182 24.414 -6.958 1.00 0.00 WAT +ATOM 28782 H1 TIP3 7491 20.887 24.743 -7.823 1.00 0.00 WAT +ATOM 28783 H2 TIP3 7491 21.250 23.447 -7.116 1.00 0.00 WAT +ATOM 28784 OH2 TIP3 7492 24.007 25.970 -24.678 1.00 0.00 WAT +ATOM 28785 H1 TIP3 7492 23.959 25.927 -23.707 1.00 0.00 WAT +ATOM 28786 H2 TIP3 7492 23.957 25.015 -24.892 1.00 0.00 WAT +ATOM 28787 OH2 TIP3 7493 26.587 24.023 -9.577 1.00 0.00 WAT +ATOM 28788 H1 TIP3 7493 27.351 24.585 -9.820 1.00 0.00 WAT +ATOM 28789 H2 TIP3 7493 25.865 24.671 -9.595 1.00 0.00 WAT +ATOM 28790 OH2 TIP3 7494 15.701 21.375 -7.153 1.00 0.00 WAT +ATOM 28791 H1 TIP3 7494 16.284 20.606 -7.067 1.00 0.00 WAT +ATOM 28792 H2 TIP3 7494 15.479 21.526 -6.222 1.00 0.00 WAT +ATOM 28793 OH2 TIP3 7495 19.861 22.719 -21.949 1.00 0.00 WAT +ATOM 28794 H1 TIP3 7495 19.238 22.224 -21.396 1.00 0.00 WAT +ATOM 28795 H2 TIP3 7495 20.143 22.029 -22.584 1.00 0.00 WAT +ATOM 28796 OH2 TIP3 7496 19.004 20.342 -9.735 1.00 0.00 WAT +ATOM 28797 H1 TIP3 7496 18.607 21.158 -9.399 1.00 0.00 WAT +ATOM 28798 H2 TIP3 7496 19.732 20.671 -10.288 1.00 0.00 WAT +ATOM 28799 OH2 TIP3 7497 20.801 20.734 -23.697 1.00 0.00 WAT +ATOM 28800 H1 TIP3 7497 20.751 20.809 -24.667 1.00 0.00 WAT +ATOM 28801 H2 TIP3 7497 21.764 20.706 -23.550 1.00 0.00 WAT +ATOM 28802 OH2 TIP3 7498 24.416 23.220 -6.108 1.00 0.00 WAT +ATOM 28803 H1 TIP3 7498 25.316 23.061 -6.420 1.00 0.00 WAT +ATOM 28804 H2 TIP3 7498 24.160 22.343 -5.791 1.00 0.00 WAT +ATOM 28805 OH2 TIP3 7499 30.311 23.239 -24.359 1.00 0.00 WAT +ATOM 28806 H1 TIP3 7499 30.213 22.829 -25.231 1.00 0.00 WAT +ATOM 28807 H2 TIP3 7499 30.210 24.187 -24.595 1.00 0.00 WAT +ATOM 28808 OH2 TIP3 7500 21.555 21.678 -10.680 1.00 0.00 WAT +ATOM 28809 H1 TIP3 7500 22.365 21.587 -11.203 1.00 0.00 WAT +ATOM 28810 H2 TIP3 7500 21.222 22.540 -10.997 1.00 0.00 WAT +ATOM 28811 OH2 TIP3 7501 26.172 19.668 -5.915 1.00 0.00 WAT +ATOM 28812 H1 TIP3 7501 26.349 18.718 -5.840 1.00 0.00 WAT +ATOM 28813 H2 TIP3 7501 27.066 20.003 -6.101 1.00 0.00 WAT +ATOM 28814 OH2 TIP3 7502 27.465 22.465 -7.530 1.00 0.00 WAT +ATOM 28815 H1 TIP3 7502 27.067 23.083 -8.182 1.00 0.00 WAT +ATOM 28816 H2 TIP3 7502 28.324 22.297 -7.940 1.00 0.00 WAT +ATOM 28817 OH2 TIP3 7503 18.117 19.248 -6.812 1.00 0.00 WAT +ATOM 28818 H1 TIP3 7503 17.401 18.593 -6.783 1.00 0.00 WAT +ATOM 28819 H2 TIP3 7503 18.676 18.949 -7.536 1.00 0.00 WAT +ATOM 28820 OH2 TIP3 7504 21.783 18.407 -6.823 1.00 0.00 WAT +ATOM 28821 H1 TIP3 7504 21.672 17.881 -6.015 1.00 0.00 WAT +ATOM 28822 H2 TIP3 7504 21.166 18.009 -7.450 1.00 0.00 WAT +ATOM 28823 OH2 TIP3 7505 24.451 17.202 -7.889 1.00 0.00 WAT +ATOM 28824 H1 TIP3 7505 23.569 17.151 -7.500 1.00 0.00 WAT +ATOM 28825 H2 TIP3 7505 24.941 16.516 -7.393 1.00 0.00 WAT +ATOM 28826 OH2 TIP3 7506 26.231 15.433 -6.458 1.00 0.00 WAT +ATOM 28827 H1 TIP3 7506 26.267 14.488 -6.210 1.00 0.00 WAT +ATOM 28828 H2 TIP3 7506 26.158 15.876 -5.597 1.00 0.00 WAT +ATOM 28829 OH2 TIP3 7507 20.572 31.968 -22.602 1.00 0.00 WAT +ATOM 28830 H1 TIP3 7507 21.526 32.082 -22.486 1.00 0.00 WAT +ATOM 28831 H2 TIP3 7507 20.437 32.420 -23.444 1.00 0.00 WAT +ATOM 28832 OH2 TIP3 7508 14.478 26.382 -23.085 1.00 0.00 WAT +ATOM 28833 H1 TIP3 7508 15.433 26.545 -22.932 1.00 0.00 WAT +ATOM 28834 H2 TIP3 7508 14.493 25.574 -23.635 1.00 0.00 WAT +ATOM 28835 OH2 TIP3 7509 13.436 31.577 -18.271 1.00 0.00 WAT +ATOM 28836 H1 TIP3 7509 12.756 31.179 -18.848 1.00 0.00 WAT +ATOM 28837 H2 TIP3 7509 13.577 30.862 -17.616 1.00 0.00 WAT +ATOM 28838 OH2 TIP3 7510 13.855 29.587 -16.340 1.00 0.00 WAT +ATOM 28839 H1 TIP3 7510 13.575 28.708 -16.031 1.00 0.00 WAT +ATOM 28840 H2 TIP3 7510 14.234 29.920 -15.511 1.00 0.00 WAT +ATOM 28841 OH2 TIP3 7511 31.433 31.081 -13.332 1.00 0.00 WAT +ATOM 28842 H1 TIP3 7511 31.564 30.686 -12.460 1.00 0.00 WAT +ATOM 28843 H2 TIP3 7511 32.334 31.063 -13.682 1.00 0.00 WAT +ATOM 28844 OH2 TIP3 7512 31.289 30.270 -10.400 1.00 0.00 WAT +ATOM 28845 H1 TIP3 7512 30.807 29.520 -10.803 1.00 0.00 WAT +ATOM 28846 H2 TIP3 7512 31.901 29.781 -9.831 1.00 0.00 WAT +ATOM 28847 OH2 TIP3 7513 29.272 25.697 -6.152 1.00 0.00 WAT +ATOM 28848 H1 TIP3 7513 28.403 25.804 -5.731 1.00 0.00 WAT +ATOM 28849 H2 TIP3 7513 29.748 26.499 -5.884 1.00 0.00 WAT +ATOM 28850 OH2 TIP3 7514 30.748 24.519 -20.408 1.00 0.00 WAT +ATOM 28851 H1 TIP3 7514 31.618 24.921 -20.204 1.00 0.00 WAT +ATOM 28852 H2 TIP3 7514 30.584 24.003 -19.611 1.00 0.00 WAT +ATOM 28853 OH2 TIP3 7515 30.764 21.913 -18.107 1.00 0.00 WAT +ATOM 28854 H1 TIP3 7515 30.319 21.992 -17.250 1.00 0.00 WAT +ATOM 28855 H2 TIP3 7515 31.594 22.394 -17.881 1.00 0.00 WAT +ATOM 28856 OH2 TIP3 7516 29.624 28.076 -11.196 1.00 0.00 WAT +ATOM 28857 H1 TIP3 7516 28.822 28.317 -10.708 1.00 0.00 WAT +ATOM 28858 H2 TIP3 7516 29.272 27.621 -11.981 1.00 0.00 WAT +ATOM 28859 OH2 TIP3 7517 31.326 21.998 -21.806 1.00 0.00 WAT +ATOM 28860 H1 TIP3 7517 30.898 22.257 -22.645 1.00 0.00 WAT +ATOM 28861 H2 TIP3 7517 31.298 22.846 -21.330 1.00 0.00 WAT +ATOM 28862 OH2 TIP3 7518 29.677 19.591 -23.605 1.00 0.00 WAT +ATOM 28863 H1 TIP3 7518 29.944 20.183 -24.322 1.00 0.00 WAT +ATOM 28864 H2 TIP3 7518 29.465 18.765 -24.087 1.00 0.00 WAT +ATOM 28865 OH2 TIP3 7519 13.950 22.944 -13.939 1.00 0.00 WAT +ATOM 28866 H1 TIP3 7519 14.201 22.976 -14.877 1.00 0.00 WAT +ATOM 28867 H2 TIP3 7519 14.813 22.711 -13.534 1.00 0.00 WAT +ATOM 28868 OH2 TIP3 7520 29.121 16.957 -24.364 1.00 0.00 WAT +ATOM 28869 H1 TIP3 7520 29.751 16.419 -23.850 1.00 0.00 WAT +ATOM 28870 H2 TIP3 7520 28.370 16.361 -24.510 1.00 0.00 WAT +ATOM 28871 OH2 TIP3 7521 29.244 18.847 -14.135 1.00 0.00 WAT +ATOM 28872 H1 TIP3 7521 30.207 19.004 -14.070 1.00 0.00 WAT +ATOM 28873 H2 TIP3 7521 29.017 18.940 -13.191 1.00 0.00 WAT +ATOM 28874 OH2 TIP3 7522 29.396 19.691 -11.368 1.00 0.00 WAT +ATOM 28875 H1 TIP3 7522 28.570 20.040 -10.991 1.00 0.00 WAT +ATOM 28876 H2 TIP3 7522 29.992 20.450 -11.227 1.00 0.00 WAT +ATOM 28877 OH2 TIP3 7523 32.009 13.667 -5.887 1.00 0.00 WAT +ATOM 28878 H1 TIP3 7523 32.123 12.953 -6.525 1.00 0.00 WAT +ATOM 28879 H2 TIP3 7523 31.903 14.439 -6.482 1.00 0.00 WAT +ATOM 28880 OH2 TIP3 7524 29.383 15.935 -19.497 1.00 0.00 WAT +ATOM 28881 H1 TIP3 7524 29.532 15.611 -18.592 1.00 0.00 WAT +ATOM 28882 H2 TIP3 7524 28.655 15.359 -19.787 1.00 0.00 WAT +ATOM 28883 OH2 TIP3 7525 14.697 16.481 -14.776 1.00 0.00 WAT +ATOM 28884 H1 TIP3 7525 15.099 15.635 -14.520 1.00 0.00 WAT +ATOM 28885 H2 TIP3 7525 15.345 17.109 -14.402 1.00 0.00 WAT +ATOM 28886 OH2 TIP3 7526 13.197 19.250 -13.695 1.00 0.00 WAT +ATOM 28887 H1 TIP3 7526 13.781 19.282 -14.470 1.00 0.00 WAT +ATOM 28888 H2 TIP3 7526 13.534 19.997 -13.182 1.00 0.00 WAT +ATOM 28889 OH2 TIP3 7527 31.285 15.652 -7.620 1.00 0.00 WAT +ATOM 28890 H1 TIP3 7527 30.433 16.122 -7.605 1.00 0.00 WAT +ATOM 28891 H2 TIP3 7527 31.196 15.166 -8.462 1.00 0.00 WAT +ATOM 28892 OH2 TIP3 7528 31.419 15.941 -22.871 1.00 0.00 WAT +ATOM 28893 H1 TIP3 7528 31.698 15.095 -23.262 1.00 0.00 WAT +ATOM 28894 H2 TIP3 7528 32.271 16.395 -22.763 1.00 0.00 WAT +ATOM 28895 OH2 TIP3 7529 13.690 15.442 -19.726 1.00 0.00 WAT +ATOM 28896 H1 TIP3 7529 12.732 15.609 -19.770 1.00 0.00 WAT +ATOM 28897 H2 TIP3 7529 14.066 16.162 -20.269 1.00 0.00 WAT +ATOM 28898 OH2 TIP3 7530 28.281 30.947 -17.550 1.00 0.00 WAT +ATOM 28899 H1 TIP3 7530 28.776 30.639 -18.327 1.00 0.00 WAT +ATOM 28900 H2 TIP3 7530 28.993 31.230 -16.963 1.00 0.00 WAT +ATOM 28901 OH2 TIP3 7531 13.685 14.283 -11.800 1.00 0.00 WAT +ATOM 28902 H1 TIP3 7531 13.090 14.303 -11.023 1.00 0.00 WAT +ATOM 28903 H2 TIP3 7531 13.236 14.934 -12.364 1.00 0.00 WAT +ATOM 28904 OH2 TIP3 7532 15.702 27.685 -6.801 1.00 0.00 WAT +ATOM 28905 H1 TIP3 7532 15.002 27.560 -7.458 1.00 0.00 WAT +ATOM 28906 H2 TIP3 7532 15.232 27.528 -5.970 1.00 0.00 WAT +ATOM 28907 OH2 TIP3 7533 18.539 28.585 -11.144 1.00 0.00 WAT +ATOM 28908 H1 TIP3 7533 18.239 29.441 -11.494 1.00 0.00 WAT +ATOM 28909 H2 TIP3 7533 19.499 28.669 -11.314 1.00 0.00 WAT +ATOM 28910 OH2 TIP3 7534 23.039 29.907 -8.121 1.00 0.00 WAT +ATOM 28911 H1 TIP3 7534 23.214 29.724 -7.185 1.00 0.00 WAT +ATOM 28912 H2 TIP3 7534 23.874 30.340 -8.393 1.00 0.00 WAT +ATOM 28913 OH2 TIP3 7535 25.326 31.346 -8.889 1.00 0.00 WAT +ATOM 28914 H1 TIP3 7535 26.032 30.726 -9.139 1.00 0.00 WAT +ATOM 28915 H2 TIP3 7535 25.644 31.651 -8.018 1.00 0.00 WAT +ATOM 28916 OH2 TIP3 7536 30.289 13.979 -9.726 1.00 0.00 WAT +ATOM 28917 H1 TIP3 7536 29.422 14.229 -10.090 1.00 0.00 WAT +ATOM 28918 H2 TIP3 7536 30.337 13.061 -10.054 1.00 0.00 WAT +ATOM 28919 OH2 TIP3 7537 15.916 31.549 -10.813 1.00 0.00 WAT +ATOM 28920 H1 TIP3 7537 15.314 32.182 -11.244 1.00 0.00 WAT +ATOM 28921 H2 TIP3 7537 15.581 31.573 -9.908 1.00 0.00 WAT +ATOM 28922 OH2 TIP3 7538 18.405 31.313 -12.260 1.00 0.00 WAT +ATOM 28923 H1 TIP3 7538 17.554 31.498 -11.815 1.00 0.00 WAT +ATOM 28924 H2 TIP3 7538 18.443 32.016 -12.934 1.00 0.00 WAT +ATOM 28925 OH2 TIP3 7539 23.145 31.313 -12.697 1.00 0.00 WAT +ATOM 28926 H1 TIP3 7539 22.776 31.772 -13.471 1.00 0.00 WAT +ATOM 28927 H2 TIP3 7539 23.247 32.048 -12.063 1.00 0.00 WAT +ATOM 28928 OH2 TIP3 7540 25.484 30.021 -11.775 1.00 0.00 WAT +ATOM 28929 H1 TIP3 7540 24.648 30.396 -12.111 1.00 0.00 WAT +ATOM 28930 H2 TIP3 7540 26.070 30.792 -11.796 1.00 0.00 WAT +ATOM 28931 OH2 TIP3 7541 27.992 31.756 -11.578 1.00 0.00 WAT +ATOM 28932 H1 TIP3 7541 27.982 32.700 -11.828 1.00 0.00 WAT +ATOM 28933 H2 TIP3 7541 28.316 31.352 -12.402 1.00 0.00 WAT +ATOM 28934 OH2 TIP3 7542 15.491 30.338 -13.870 1.00 0.00 WAT +ATOM 28935 H1 TIP3 7542 15.470 29.852 -13.015 1.00 0.00 WAT +ATOM 28936 H2 TIP3 7542 16.254 29.900 -14.297 1.00 0.00 WAT +ATOM 28937 OH2 TIP3 7543 17.516 29.092 -15.434 1.00 0.00 WAT +ATOM 28938 H1 TIP3 7543 17.356 28.164 -15.159 1.00 0.00 WAT +ATOM 28939 H2 TIP3 7543 18.427 29.238 -15.108 1.00 0.00 WAT +ATOM 28940 OH2 TIP3 7544 20.266 29.548 -14.539 1.00 0.00 WAT +ATOM 28941 H1 TIP3 7544 20.460 28.617 -14.749 1.00 0.00 WAT +ATOM 28942 H2 TIP3 7544 20.347 29.527 -13.572 1.00 0.00 WAT +ATOM 28943 OH2 TIP3 7545 23.621 15.450 -15.248 1.00 0.00 WAT +ATOM 28944 H1 TIP3 7545 22.901 14.809 -15.081 1.00 0.00 WAT +ATOM 28945 H2 TIP3 7545 24.214 14.940 -15.822 1.00 0.00 WAT +ATOM 28946 OH2 TIP3 7546 28.572 13.461 -14.804 1.00 0.00 WAT +ATOM 28947 H1 TIP3 7546 29.311 13.929 -15.227 1.00 0.00 WAT +ATOM 28948 H2 TIP3 7546 27.804 13.758 -15.316 1.00 0.00 WAT +ATOM 28949 OH2 TIP3 7547 30.601 14.587 -16.996 1.00 0.00 WAT +ATOM 28950 H1 TIP3 7547 31.320 14.149 -17.486 1.00 0.00 WAT +ATOM 28951 H2 TIP3 7547 30.972 15.477 -16.843 1.00 0.00 WAT +ATOM 28952 OH2 TIP3 7548 16.053 14.063 -17.606 1.00 0.00 WAT +ATOM 28953 H1 TIP3 7548 15.163 13.956 -17.992 1.00 0.00 WAT +ATOM 28954 H2 TIP3 7548 16.439 13.189 -17.744 1.00 0.00 WAT +ATOM 28955 OH2 TIP3 7549 14.803 13.612 -21.796 1.00 0.00 WAT +ATOM 28956 H1 TIP3 7549 15.301 14.292 -22.288 1.00 0.00 WAT +ATOM 28957 H2 TIP3 7549 14.377 14.145 -21.099 1.00 0.00 WAT +ATOM 28958 OH2 TIP3 7550 20.404 13.875 -17.836 1.00 0.00 WAT +ATOM 28959 H1 TIP3 7550 21.303 14.229 -17.932 1.00 0.00 WAT +ATOM 28960 H2 TIP3 7550 20.316 13.858 -16.874 1.00 0.00 WAT +ATOM 28961 OH2 TIP3 7551 25.999 14.025 -16.401 1.00 0.00 WAT +ATOM 28962 H1 TIP3 7551 26.305 13.824 -17.295 1.00 0.00 WAT +ATOM 28963 H2 TIP3 7551 25.626 13.167 -16.123 1.00 0.00 WAT +ATOM 28964 OH2 TIP3 7552 27.181 14.065 -20.432 1.00 0.00 WAT +ATOM 28965 H1 TIP3 7552 26.330 14.529 -20.533 1.00 0.00 WAT +ATOM 28966 H2 TIP3 7552 26.876 13.163 -20.228 1.00 0.00 WAT +ATOM 28967 OH2 TIP3 7553 14.938 29.608 -20.623 1.00 0.00 WAT +ATOM 28968 H1 TIP3 7553 14.314 29.474 -21.352 1.00 0.00 WAT +ATOM 28969 H2 TIP3 7553 14.942 30.573 -20.569 1.00 0.00 WAT +ATOM 28970 OH2 TIP3 7554 16.471 15.446 -23.361 1.00 0.00 WAT +ATOM 28971 H1 TIP3 7554 17.102 14.916 -23.876 1.00 0.00 WAT +ATOM 28972 H2 TIP3 7554 17.051 15.800 -22.660 1.00 0.00 WAT +ATOM 28973 OH2 TIP3 7555 21.583 15.636 -20.759 1.00 0.00 WAT +ATOM 28974 H1 TIP3 7555 21.927 15.076 -20.045 1.00 0.00 WAT +ATOM 28975 H2 TIP3 7555 21.746 16.513 -20.375 1.00 0.00 WAT +ATOM 28976 OH2 TIP3 7556 23.620 31.444 -22.521 1.00 0.00 WAT +ATOM 28977 H1 TIP3 7556 24.595 31.443 -22.559 1.00 0.00 WAT +ATOM 28978 H2 TIP3 7556 23.420 30.779 -23.199 1.00 0.00 WAT +ATOM 28979 OH2 TIP3 7557 30.121 30.470 -19.942 1.00 0.00 WAT +ATOM 28980 H1 TIP3 7557 29.885 29.631 -20.381 1.00 0.00 WAT +ATOM 28981 H2 TIP3 7557 30.091 31.089 -20.688 1.00 0.00 WAT +ATOM 28982 OH2 TIP3 7558 16.377 30.556 -23.835 1.00 0.00 WAT +ATOM 28983 H1 TIP3 7558 16.158 30.826 -22.932 1.00 0.00 WAT +ATOM 28984 H2 TIP3 7558 17.149 29.981 -23.702 1.00 0.00 WAT +ATOM 28985 OH2 TIP3 7559 29.613 29.216 -7.511 1.00 0.00 WAT +ATOM 28986 H1 TIP3 7559 28.917 29.028 -8.166 1.00 0.00 WAT +ATOM 28987 H2 TIP3 7559 29.472 30.170 -7.368 1.00 0.00 WAT +ATOM 28988 OH2 TIP3 7560 41.874 22.175 -14.560 1.00 0.00 WAT +ATOM 28989 H1 TIP3 7560 42.502 22.260 -13.816 1.00 0.00 WAT +ATOM 28990 H2 TIP3 7560 42.336 21.485 -15.058 1.00 0.00 WAT +ATOM 28991 OH2 TIP3 7561 35.273 21.919 -12.768 1.00 0.00 WAT +ATOM 28992 H1 TIP3 7561 35.166 21.141 -12.186 1.00 0.00 WAT +ATOM 28993 H2 TIP3 7561 35.725 22.534 -12.178 1.00 0.00 WAT +ATOM 28994 OH2 TIP3 7562 36.132 26.650 -14.241 1.00 0.00 WAT +ATOM 28995 H1 TIP3 7562 35.485 25.931 -14.368 1.00 0.00 WAT +ATOM 28996 H2 TIP3 7562 36.922 26.167 -13.969 1.00 0.00 WAT +ATOM 28997 OH2 TIP3 7563 32.797 19.840 -18.825 1.00 0.00 WAT +ATOM 28998 H1 TIP3 7563 32.512 20.745 -18.610 1.00 0.00 WAT +ATOM 28999 H2 TIP3 7563 32.142 19.533 -19.464 1.00 0.00 WAT +ATOM 29000 OH2 TIP3 7564 33.402 22.323 -17.155 1.00 0.00 WAT +ATOM 29001 H1 TIP3 7564 33.513 21.791 -16.344 1.00 0.00 WAT +ATOM 29002 H2 TIP3 7564 34.306 22.630 -17.290 1.00 0.00 WAT +ATOM 29003 OH2 TIP3 7565 37.272 17.040 -16.217 1.00 0.00 WAT +ATOM 29004 H1 TIP3 7565 37.542 17.926 -16.500 1.00 0.00 WAT +ATOM 29005 H2 TIP3 7565 36.892 16.677 -17.036 1.00 0.00 WAT +ATOM 29006 OH2 TIP3 7566 34.133 19.833 -15.628 1.00 0.00 WAT +ATOM 29007 H1 TIP3 7566 34.815 19.464 -15.046 1.00 0.00 WAT +ATOM 29008 H2 TIP3 7566 34.301 19.365 -16.462 1.00 0.00 WAT +ATOM 29009 OH2 TIP3 7567 36.175 15.932 -11.942 1.00 0.00 WAT +ATOM 29010 H1 TIP3 7567 35.966 16.533 -12.672 1.00 0.00 WAT +ATOM 29011 H2 TIP3 7567 35.557 16.235 -11.256 1.00 0.00 WAT +ATOM 29012 OH2 TIP3 7568 39.287 23.949 -12.037 1.00 0.00 WAT +ATOM 29013 H1 TIP3 7568 38.445 24.354 -11.751 1.00 0.00 WAT +ATOM 29014 H2 TIP3 7568 39.865 24.717 -11.994 1.00 0.00 WAT +ATOM 29015 OH2 TIP3 7569 36.108 18.185 -13.944 1.00 0.00 WAT +ATOM 29016 H1 TIP3 7569 36.780 18.779 -13.556 1.00 0.00 WAT +ATOM 29017 H2 TIP3 7569 36.651 17.785 -14.655 1.00 0.00 WAT +ATOM 29018 OH2 TIP3 7570 37.167 25.691 -11.155 1.00 0.00 WAT +ATOM 29019 H1 TIP3 7570 37.120 26.605 -11.493 1.00 0.00 WAT +ATOM 29020 H2 TIP3 7570 36.281 25.639 -10.740 1.00 0.00 WAT +ATOM 29021 OH2 TIP3 7571 33.437 25.430 -20.295 1.00 0.00 WAT +ATOM 29022 H1 TIP3 7571 33.276 25.963 -21.091 1.00 0.00 WAT +ATOM 29023 H2 TIP3 7571 33.643 26.118 -19.617 1.00 0.00 WAT +ATOM 29024 OH2 TIP3 7572 40.416 13.465 -14.930 1.00 0.00 WAT +ATOM 29025 H1 TIP3 7572 40.151 12.529 -14.911 1.00 0.00 WAT +ATOM 29026 H2 TIP3 7572 39.629 13.892 -14.531 1.00 0.00 WAT +ATOM 29027 OH2 TIP3 7573 42.613 22.261 -20.266 1.00 0.00 WAT +ATOM 29028 H1 TIP3 7573 41.984 22.977 -20.462 1.00 0.00 WAT +ATOM 29029 H2 TIP3 7573 43.361 22.507 -20.814 1.00 0.00 WAT +ATOM 29030 OH2 TIP3 7574 42.877 20.753 -23.071 1.00 0.00 WAT +ATOM 29031 H1 TIP3 7574 43.687 20.745 -22.537 1.00 0.00 WAT +ATOM 29032 H2 TIP3 7574 42.962 19.970 -23.622 1.00 0.00 WAT +ATOM 29033 OH2 TIP3 7575 38.007 22.861 -17.290 1.00 0.00 WAT +ATOM 29034 H1 TIP3 7575 37.383 22.744 -18.031 1.00 0.00 WAT +ATOM 29035 H2 TIP3 7575 38.106 21.928 -17.030 1.00 0.00 WAT +ATOM 29036 OH2 TIP3 7576 39.113 26.136 -14.499 1.00 0.00 WAT +ATOM 29037 H1 TIP3 7576 39.042 26.254 -15.456 1.00 0.00 WAT +ATOM 29038 H2 TIP3 7576 40.034 26.320 -14.295 1.00 0.00 WAT +ATOM 29039 OH2 TIP3 7577 38.463 22.204 -14.296 1.00 0.00 WAT +ATOM 29040 H1 TIP3 7577 38.654 21.246 -14.283 1.00 0.00 WAT +ATOM 29041 H2 TIP3 7577 38.305 22.378 -13.352 1.00 0.00 WAT +ATOM 29042 OH2 TIP3 7578 39.030 26.349 -9.003 1.00 0.00 WAT +ATOM 29043 H1 TIP3 7578 38.521 27.006 -8.495 1.00 0.00 WAT +ATOM 29044 H2 TIP3 7578 38.366 26.080 -9.668 1.00 0.00 WAT +ATOM 29045 OH2 TIP3 7579 35.759 22.605 -9.854 1.00 0.00 WAT +ATOM 29046 H1 TIP3 7579 35.840 23.149 -9.048 1.00 0.00 WAT +ATOM 29047 H2 TIP3 7579 34.796 22.596 -9.963 1.00 0.00 WAT +ATOM 29048 OH2 TIP3 7580 42.450 28.415 -18.073 1.00 0.00 WAT +ATOM 29049 H1 TIP3 7580 42.991 28.908 -17.432 1.00 0.00 WAT +ATOM 29050 H2 TIP3 7580 41.993 29.129 -18.537 1.00 0.00 WAT +ATOM 29051 OH2 TIP3 7581 37.115 28.495 -8.161 1.00 0.00 WAT +ATOM 29052 H1 TIP3 7581 37.000 28.528 -9.128 1.00 0.00 WAT +ATOM 29053 H2 TIP3 7581 36.228 28.233 -7.846 1.00 0.00 WAT +ATOM 29054 OH2 TIP3 7582 36.525 21.979 -19.709 1.00 0.00 WAT +ATOM 29055 H1 TIP3 7582 36.287 22.702 -20.314 1.00 0.00 WAT +ATOM 29056 H2 TIP3 7582 35.905 21.284 -19.965 1.00 0.00 WAT +ATOM 29057 OH2 TIP3 7583 32.689 24.333 -11.008 1.00 0.00 WAT +ATOM 29058 H1 TIP3 7583 32.311 24.462 -11.893 1.00 0.00 WAT +ATOM 29059 H2 TIP3 7583 32.307 23.462 -10.755 1.00 0.00 WAT +ATOM 29060 OH2 TIP3 7584 41.708 27.368 -9.500 1.00 0.00 WAT +ATOM 29061 H1 TIP3 7584 41.808 28.238 -9.086 1.00 0.00 WAT +ATOM 29062 H2 TIP3 7584 40.802 27.102 -9.254 1.00 0.00 WAT +ATOM 29063 OH2 TIP3 7585 41.838 31.187 -19.589 1.00 0.00 WAT +ATOM 29064 H1 TIP3 7585 42.055 31.231 -20.532 1.00 0.00 WAT +ATOM 29065 H2 TIP3 7585 42.077 32.060 -19.255 1.00 0.00 WAT +ATOM 29066 OH2 TIP3 7586 35.729 30.330 -17.931 1.00 0.00 WAT +ATOM 29067 H1 TIP3 7586 35.896 29.868 -17.078 1.00 0.00 WAT +ATOM 29068 H2 TIP3 7586 34.893 29.922 -18.193 1.00 0.00 WAT +ATOM 29069 OH2 TIP3 7587 34.747 26.132 -9.811 1.00 0.00 WAT +ATOM 29070 H1 TIP3 7587 35.015 25.642 -9.010 1.00 0.00 WAT +ATOM 29071 H2 TIP3 7587 33.984 25.617 -10.139 1.00 0.00 WAT +ATOM 29072 OH2 TIP3 7588 37.952 14.541 -14.014 1.00 0.00 WAT +ATOM 29073 H1 TIP3 7588 37.111 14.567 -14.505 1.00 0.00 WAT +ATOM 29074 H2 TIP3 7588 37.920 15.405 -13.573 1.00 0.00 WAT +ATOM 29075 OH2 TIP3 7589 42.330 14.009 -9.737 1.00 0.00 WAT +ATOM 29076 H1 TIP3 7589 42.443 13.252 -9.141 1.00 0.00 WAT +ATOM 29077 H2 TIP3 7589 41.423 13.848 -10.067 1.00 0.00 WAT +ATOM 29078 OH2 TIP3 7590 42.339 16.784 -23.005 1.00 0.00 WAT +ATOM 29079 H1 TIP3 7590 41.685 16.593 -22.316 1.00 0.00 WAT +ATOM 29080 H2 TIP3 7590 42.056 16.151 -23.684 1.00 0.00 WAT +ATOM 29081 OH2 TIP3 7591 37.883 19.798 -17.643 1.00 0.00 WAT +ATOM 29082 H1 TIP3 7591 36.937 19.615 -17.736 1.00 0.00 WAT +ATOM 29083 H2 TIP3 7591 38.231 19.451 -18.480 1.00 0.00 WAT +ATOM 29084 OH2 TIP3 7592 42.965 19.686 -18.835 1.00 0.00 WAT +ATOM 29085 H1 TIP3 7592 42.727 20.621 -18.974 1.00 0.00 WAT +ATOM 29086 H2 TIP3 7592 43.233 19.403 -19.712 1.00 0.00 WAT +ATOM 29087 OH2 TIP3 7593 42.518 20.325 -7.459 1.00 0.00 WAT +ATOM 29088 H1 TIP3 7593 41.935 19.536 -7.423 1.00 0.00 WAT +ATOM 29089 H2 TIP3 7593 43.373 19.853 -7.438 1.00 0.00 WAT +ATOM 29090 OH2 TIP3 7594 35.252 19.542 -10.932 1.00 0.00 WAT +ATOM 29091 H1 TIP3 7594 35.353 20.000 -10.093 1.00 0.00 WAT +ATOM 29092 H2 TIP3 7594 34.843 18.705 -10.666 1.00 0.00 WAT +ATOM 29093 OH2 TIP3 7595 38.656 17.232 -24.248 1.00 0.00 WAT +ATOM 29094 H1 TIP3 7595 38.272 16.882 -23.417 1.00 0.00 WAT +ATOM 29095 H2 TIP3 7595 37.872 17.344 -24.800 1.00 0.00 WAT +ATOM 29096 OH2 TIP3 7596 32.012 17.063 -17.142 1.00 0.00 WAT +ATOM 29097 H1 TIP3 7596 32.631 17.111 -16.391 1.00 0.00 WAT +ATOM 29098 H2 TIP3 7596 32.532 16.630 -17.833 1.00 0.00 WAT +ATOM 29099 OH2 TIP3 7597 33.567 17.455 -21.434 1.00 0.00 WAT +ATOM 29100 H1 TIP3 7597 34.129 17.944 -22.072 1.00 0.00 WAT +ATOM 29101 H2 TIP3 7597 32.900 18.118 -21.226 1.00 0.00 WAT +ATOM 29102 OH2 TIP3 7598 43.595 20.729 -11.355 1.00 0.00 WAT +ATOM 29103 H1 TIP3 7598 43.649 20.160 -12.156 1.00 0.00 WAT +ATOM 29104 H2 TIP3 7598 42.716 20.513 -11.040 1.00 0.00 WAT +ATOM 29105 OH2 TIP3 7599 40.438 16.912 -16.683 1.00 0.00 WAT +ATOM 29106 H1 TIP3 7599 39.507 16.992 -16.417 1.00 0.00 WAT +ATOM 29107 H2 TIP3 7599 40.848 17.228 -15.859 1.00 0.00 WAT +ATOM 29108 OH2 TIP3 7600 35.174 18.370 -18.075 1.00 0.00 WAT +ATOM 29109 H1 TIP3 7600 34.320 18.619 -18.474 1.00 0.00 WAT +ATOM 29110 H2 TIP3 7600 35.440 17.579 -18.582 1.00 0.00 WAT +ATOM 29111 OH2 TIP3 7601 38.635 18.643 -20.328 1.00 0.00 WAT +ATOM 29112 H1 TIP3 7601 39.603 18.691 -20.268 1.00 0.00 WAT +ATOM 29113 H2 TIP3 7601 38.404 19.260 -21.043 1.00 0.00 WAT +ATOM 29114 OH2 TIP3 7602 37.215 19.916 -22.591 1.00 0.00 WAT +ATOM 29115 H1 TIP3 7602 36.614 19.615 -23.290 1.00 0.00 WAT +ATOM 29116 H2 TIP3 7602 38.036 20.042 -23.094 1.00 0.00 WAT +ATOM 29117 OH2 TIP3 7603 35.823 24.621 -7.628 1.00 0.00 WAT +ATOM 29118 H1 TIP3 7603 36.490 24.715 -6.918 1.00 0.00 WAT +ATOM 29119 H2 TIP3 7603 35.017 24.549 -7.088 1.00 0.00 WAT +ATOM 29120 OH2 TIP3 7604 36.741 16.018 -18.844 1.00 0.00 WAT +ATOM 29121 H1 TIP3 7604 36.222 15.232 -18.601 1.00 0.00 WAT +ATOM 29122 H2 TIP3 7604 37.612 15.642 -19.029 1.00 0.00 WAT +ATOM 29123 OH2 TIP3 7605 40.706 24.334 -20.730 1.00 0.00 WAT +ATOM 29124 H1 TIP3 7605 39.947 23.854 -21.131 1.00 0.00 WAT +ATOM 29125 H2 TIP3 7605 40.484 24.353 -19.787 1.00 0.00 WAT +ATOM 29126 OH2 TIP3 7606 42.093 24.383 -9.478 1.00 0.00 WAT +ATOM 29127 H1 TIP3 7606 41.834 24.221 -8.566 1.00 0.00 WAT +ATOM 29128 H2 TIP3 7606 42.144 25.351 -9.533 1.00 0.00 WAT +ATOM 29129 OH2 TIP3 7607 35.693 23.742 -15.037 1.00 0.00 WAT +ATOM 29130 H1 TIP3 7607 36.481 23.613 -15.572 1.00 0.00 WAT +ATOM 29131 H2 TIP3 7607 35.687 22.963 -14.455 1.00 0.00 WAT +ATOM 29132 OH2 TIP3 7608 42.873 25.749 -21.747 1.00 0.00 WAT +ATOM 29133 H1 TIP3 7608 42.601 26.646 -21.463 1.00 0.00 WAT +ATOM 29134 H2 TIP3 7608 42.106 25.226 -21.439 1.00 0.00 WAT +ATOM 29135 OH2 TIP3 7609 39.992 21.623 -7.639 1.00 0.00 WAT +ATOM 29136 H1 TIP3 7609 39.588 21.303 -8.469 1.00 0.00 WAT +ATOM 29137 H2 TIP3 7609 40.926 21.369 -7.771 1.00 0.00 WAT +ATOM 29138 OH2 TIP3 7610 38.197 27.126 -17.706 1.00 0.00 WAT +ATOM 29139 H1 TIP3 7610 38.559 28.023 -17.796 1.00 0.00 WAT +ATOM 29140 H2 TIP3 7610 37.247 27.299 -17.777 1.00 0.00 WAT +ATOM 29141 OH2 TIP3 7611 34.147 21.942 -23.040 1.00 0.00 WAT +ATOM 29142 H1 TIP3 7611 34.752 22.603 -22.656 1.00 0.00 WAT +ATOM 29143 H2 TIP3 7611 33.286 22.297 -22.767 1.00 0.00 WAT +ATOM 29144 OH2 TIP3 7612 39.956 24.797 -17.540 1.00 0.00 WAT +ATOM 29145 H1 TIP3 7612 39.725 25.701 -17.828 1.00 0.00 WAT +ATOM 29146 H2 TIP3 7612 39.114 24.324 -17.693 1.00 0.00 WAT +ATOM 29147 OH2 TIP3 7613 40.217 29.106 -11.698 1.00 0.00 WAT +ATOM 29148 H1 TIP3 7613 40.785 29.847 -11.999 1.00 0.00 WAT +ATOM 29149 H2 TIP3 7613 40.833 28.633 -11.119 1.00 0.00 WAT +ATOM 29150 OH2 TIP3 7614 38.592 30.040 -18.463 1.00 0.00 WAT +ATOM 29151 H1 TIP3 7614 37.639 30.193 -18.345 1.00 0.00 WAT +ATOM 29152 H2 TIP3 7614 38.963 30.907 -18.211 1.00 0.00 WAT +ATOM 29153 OH2 TIP3 7615 34.262 16.859 -9.881 1.00 0.00 WAT +ATOM 29154 H1 TIP3 7615 33.386 17.074 -10.262 1.00 0.00 WAT +ATOM 29155 H2 TIP3 7615 34.144 15.927 -9.629 1.00 0.00 WAT +ATOM 29156 OH2 TIP3 7616 34.188 28.693 -11.608 1.00 0.00 WAT +ATOM 29157 H1 TIP3 7616 34.141 27.735 -11.737 1.00 0.00 WAT +ATOM 29158 H2 TIP3 7616 34.455 28.750 -10.687 1.00 0.00 WAT +ATOM 29159 OH2 TIP3 7617 39.934 27.243 -24.628 1.00 0.00 WAT +ATOM 29160 H1 TIP3 7617 40.290 26.483 -25.126 1.00 0.00 WAT +ATOM 29161 H2 TIP3 7617 39.570 26.796 -23.844 1.00 0.00 WAT +ATOM 29162 OH2 TIP3 7618 38.851 26.670 -21.876 1.00 0.00 WAT +ATOM 29163 H1 TIP3 7618 39.357 26.190 -21.209 1.00 0.00 WAT +ATOM 29164 H2 TIP3 7618 38.972 27.601 -21.594 1.00 0.00 WAT +ATOM 29165 OH2 TIP3 7619 35.657 24.157 -21.516 1.00 0.00 WAT +ATOM 29166 H1 TIP3 7619 34.932 24.548 -20.990 1.00 0.00 WAT +ATOM 29167 H2 TIP3 7619 36.123 24.958 -21.809 1.00 0.00 WAT +ATOM 29168 OH2 TIP3 7620 43.459 17.109 -11.064 1.00 0.00 WAT +ATOM 29169 H1 TIP3 7620 43.576 16.422 -10.404 1.00 0.00 WAT +ATOM 29170 H2 TIP3 7620 42.750 16.750 -11.617 1.00 0.00 WAT +ATOM 29171 OH2 TIP3 7621 41.668 28.311 -21.359 1.00 0.00 WAT +ATOM 29172 H1 TIP3 7621 40.886 28.839 -21.125 1.00 0.00 WAT +ATOM 29173 H2 TIP3 7621 42.110 28.891 -21.987 1.00 0.00 WAT +ATOM 29174 OH2 TIP3 7622 41.143 17.784 -19.276 1.00 0.00 WAT +ATOM 29175 H1 TIP3 7622 41.847 18.414 -19.004 1.00 0.00 WAT +ATOM 29176 H2 TIP3 7622 40.786 17.579 -18.387 1.00 0.00 WAT +ATOM 29177 OH2 TIP3 7623 41.473 18.633 -9.836 1.00 0.00 WAT +ATOM 29178 H1 TIP3 7623 41.686 19.549 -9.640 1.00 0.00 WAT +ATOM 29179 H2 TIP3 7623 42.229 18.316 -10.356 1.00 0.00 WAT +ATOM 29180 OH2 TIP3 7624 41.947 15.022 -18.101 1.00 0.00 WAT +ATOM 29181 H1 TIP3 7624 41.629 15.787 -17.569 1.00 0.00 WAT +ATOM 29182 H2 TIP3 7624 42.721 15.409 -18.546 1.00 0.00 WAT +ATOM 29183 OH2 TIP3 7625 38.937 29.395 -21.298 1.00 0.00 WAT +ATOM 29184 H1 TIP3 7625 38.908 30.216 -21.832 1.00 0.00 WAT +ATOM 29185 H2 TIP3 7625 38.801 29.737 -20.394 1.00 0.00 WAT +ATOM 29186 OH2 TIP3 7626 37.728 16.122 -21.904 1.00 0.00 WAT +ATOM 29187 H1 TIP3 7626 37.667 16.812 -21.221 1.00 0.00 WAT +ATOM 29188 H2 TIP3 7626 38.503 15.615 -21.605 1.00 0.00 WAT +ATOM 29189 OH2 TIP3 7627 36.101 26.955 -22.760 1.00 0.00 WAT +ATOM 29190 H1 TIP3 7627 36.817 27.467 -22.348 1.00 0.00 WAT +ATOM 29191 H2 TIP3 7627 36.615 26.463 -23.420 1.00 0.00 WAT +ATOM 29192 OH2 TIP3 7628 34.212 19.141 -23.589 1.00 0.00 WAT +ATOM 29193 H1 TIP3 7628 34.357 20.089 -23.404 1.00 0.00 WAT +ATOM 29194 H2 TIP3 7628 33.402 19.154 -24.112 1.00 0.00 WAT +ATOM 29195 OH2 TIP3 7629 35.135 14.191 -14.843 1.00 0.00 WAT +ATOM 29196 H1 TIP3 7629 34.963 14.193 -15.805 1.00 0.00 WAT +ATOM 29197 H2 TIP3 7629 34.786 13.329 -14.563 1.00 0.00 WAT +ATOM 29198 OH2 TIP3 7630 34.036 27.605 -18.681 1.00 0.00 WAT +ATOM 29199 H1 TIP3 7630 33.357 28.075 -18.172 1.00 0.00 WAT +ATOM 29200 H2 TIP3 7630 34.351 28.279 -19.304 1.00 0.00 WAT +ATOM 29201 OH2 TIP3 7631 33.422 30.554 -7.443 1.00 0.00 WAT +ATOM 29202 H1 TIP3 7631 34.023 30.280 -6.725 1.00 0.00 WAT +ATOM 29203 H2 TIP3 7631 33.041 29.697 -7.715 1.00 0.00 WAT +ATOM 29204 OH2 TIP3 7632 38.126 29.626 -5.631 1.00 0.00 WAT +ATOM 29205 H1 TIP3 7632 38.820 28.973 -5.450 1.00 0.00 WAT +ATOM 29206 H2 TIP3 7632 37.895 29.398 -6.547 1.00 0.00 WAT +ATOM 29207 OH2 TIP3 7633 42.306 28.887 -24.315 1.00 0.00 WAT +ATOM 29208 H1 TIP3 7633 41.474 28.370 -24.301 1.00 0.00 WAT +ATOM 29209 H2 TIP3 7633 42.938 28.160 -24.450 1.00 0.00 WAT +ATOM 29210 OH2 TIP3 7634 33.384 24.147 -6.261 1.00 0.00 WAT +ATOM 29211 H1 TIP3 7634 33.561 23.291 -6.701 1.00 0.00 WAT +ATOM 29212 H2 TIP3 7634 32.645 24.479 -6.806 1.00 0.00 WAT +ATOM 29213 OH2 TIP3 7635 37.622 24.644 -24.298 1.00 0.00 WAT +ATOM 29214 H1 TIP3 7635 37.794 24.047 -23.553 1.00 0.00 WAT +ATOM 29215 H2 TIP3 7635 38.480 24.615 -24.762 1.00 0.00 WAT +ATOM 29216 OH2 TIP3 7636 40.098 24.420 -6.998 1.00 0.00 WAT +ATOM 29217 H1 TIP3 7636 39.771 24.743 -7.854 1.00 0.00 WAT +ATOM 29218 H2 TIP3 7636 40.149 23.450 -7.135 1.00 0.00 WAT +ATOM 29219 OH2 TIP3 7637 42.601 25.967 -24.740 1.00 0.00 WAT +ATOM 29220 H1 TIP3 7637 42.786 26.072 -23.791 1.00 0.00 WAT +ATOM 29221 H2 TIP3 7637 42.442 25.009 -24.794 1.00 0.00 WAT +ATOM 29222 OH2 TIP3 7638 34.417 21.571 -7.036 1.00 0.00 WAT +ATOM 29223 H1 TIP3 7638 34.791 20.711 -7.256 1.00 0.00 WAT +ATOM 29224 H2 TIP3 7638 33.883 21.366 -6.267 1.00 0.00 WAT +ATOM 29225 OH2 TIP3 7639 38.716 22.696 -21.945 1.00 0.00 WAT +ATOM 29226 H1 TIP3 7639 38.082 22.189 -21.416 1.00 0.00 WAT +ATOM 29227 H2 TIP3 7639 39.017 22.016 -22.581 1.00 0.00 WAT +ATOM 29228 OH2 TIP3 7640 38.082 20.571 -9.638 1.00 0.00 WAT +ATOM 29229 H1 TIP3 7640 37.371 21.234 -9.627 1.00 0.00 WAT +ATOM 29230 H2 TIP3 7640 38.478 20.714 -10.511 1.00 0.00 WAT +ATOM 29231 OH2 TIP3 7641 39.790 20.721 -23.670 1.00 0.00 WAT +ATOM 29232 H1 TIP3 7641 39.696 20.778 -24.638 1.00 0.00 WAT +ATOM 29233 H2 TIP3 7641 40.747 20.848 -23.562 1.00 0.00 WAT +ATOM 29234 OH2 TIP3 7642 42.847 22.969 -5.976 1.00 0.00 WAT +ATOM 29235 H1 TIP3 7642 43.554 22.667 -6.553 1.00 0.00 WAT +ATOM 29236 H2 TIP3 7642 42.661 22.146 -5.492 1.00 0.00 WAT +ATOM 29237 OH2 TIP3 7643 38.457 17.765 -8.568 1.00 0.00 WAT +ATOM 29238 H1 TIP3 7643 38.692 17.155 -9.283 1.00 0.00 WAT +ATOM 29239 H2 TIP3 7643 38.394 18.604 -9.055 1.00 0.00 WAT +ATOM 29240 OH2 TIP3 7644 39.078 16.403 -11.446 1.00 0.00 WAT +ATOM 29241 H1 TIP3 7644 39.456 17.125 -11.992 1.00 0.00 WAT +ATOM 29242 H2 TIP3 7644 38.129 16.526 -11.610 1.00 0.00 WAT +ATOM 29243 OH2 TIP3 7645 40.821 21.620 -10.720 1.00 0.00 WAT +ATOM 29244 H1 TIP3 7645 41.204 21.450 -11.584 1.00 0.00 WAT +ATOM 29245 H2 TIP3 7645 40.404 22.484 -10.867 1.00 0.00 WAT +ATOM 29246 OH2 TIP3 7646 36.711 19.502 -6.596 1.00 0.00 WAT +ATOM 29247 H1 TIP3 7646 36.207 18.711 -6.882 1.00 0.00 WAT +ATOM 29248 H2 TIP3 7646 37.483 19.453 -7.183 1.00 0.00 WAT +ATOM 29249 OH2 TIP3 7647 39.652 13.747 -10.721 1.00 0.00 WAT +ATOM 29250 H1 TIP3 7647 39.526 14.679 -11.008 1.00 0.00 WAT +ATOM 29251 H2 TIP3 7647 39.023 13.289 -11.303 1.00 0.00 WAT +ATOM 29252 OH2 TIP3 7648 41.046 18.044 -6.957 1.00 0.00 WAT +ATOM 29253 H1 TIP3 7648 40.557 17.812 -6.154 1.00 0.00 WAT +ATOM 29254 H2 TIP3 7648 40.384 17.862 -7.648 1.00 0.00 WAT +ATOM 29255 OH2 TIP3 7649 35.420 17.121 -6.837 1.00 0.00 WAT +ATOM 29256 H1 TIP3 7649 35.217 16.632 -7.649 1.00 0.00 WAT +ATOM 29257 H2 TIP3 7649 35.023 16.560 -6.153 1.00 0.00 WAT +ATOM 29258 OH2 TIP3 7650 39.426 13.075 -7.947 1.00 0.00 WAT +ATOM 29259 H1 TIP3 7650 40.049 12.337 -7.892 1.00 0.00 WAT +ATOM 29260 H2 TIP3 7650 39.430 13.262 -8.907 1.00 0.00 WAT +ATOM 29261 OH2 TIP3 7651 40.327 14.856 -5.976 1.00 0.00 WAT +ATOM 29262 H1 TIP3 7651 40.096 14.326 -6.764 1.00 0.00 WAT +ATOM 29263 H2 TIP3 7651 39.742 15.623 -6.063 1.00 0.00 WAT +ATOM 29264 OH2 TIP3 7652 39.561 31.935 -22.591 1.00 0.00 WAT +ATOM 29265 H1 TIP3 7652 40.520 32.017 -22.509 1.00 0.00 WAT +ATOM 29266 H2 TIP3 7652 39.409 32.428 -23.410 1.00 0.00 WAT +ATOM 29267 OH2 TIP3 7653 33.336 26.367 -23.064 1.00 0.00 WAT +ATOM 29268 H1 TIP3 7653 34.289 26.558 -22.925 1.00 0.00 WAT +ATOM 29269 H2 TIP3 7653 33.368 25.588 -23.654 1.00 0.00 WAT +ATOM 29270 OH2 TIP3 7654 32.343 31.537 -18.296 1.00 0.00 WAT +ATOM 29271 H1 TIP3 7654 31.619 31.163 -18.834 1.00 0.00 WAT +ATOM 29272 H2 TIP3 7654 32.438 30.850 -17.605 1.00 0.00 WAT +ATOM 29273 OH2 TIP3 7655 32.720 29.460 -16.295 1.00 0.00 WAT +ATOM 29274 H1 TIP3 7655 32.417 28.575 -15.975 1.00 0.00 WAT +ATOM 29275 H2 TIP3 7655 33.045 29.784 -15.441 1.00 0.00 WAT +ATOM 29276 OH2 TIP3 7656 32.561 22.594 -13.957 1.00 0.00 WAT +ATOM 29277 H1 TIP3 7656 32.690 23.269 -14.635 1.00 0.00 WAT +ATOM 29278 H2 TIP3 7656 33.346 22.714 -13.404 1.00 0.00 WAT +ATOM 29279 OH2 TIP3 7657 32.722 18.361 -6.956 1.00 0.00 WAT +ATOM 29280 H1 TIP3 7657 33.357 18.383 -7.680 1.00 0.00 WAT +ATOM 29281 H2 TIP3 7657 31.983 17.884 -7.348 1.00 0.00 WAT +ATOM 29282 OH2 TIP3 7658 33.618 16.746 -14.692 1.00 0.00 WAT +ATOM 29283 H1 TIP3 7658 34.051 15.879 -14.603 1.00 0.00 WAT +ATOM 29284 H2 TIP3 7658 34.298 17.332 -14.316 1.00 0.00 WAT +ATOM 29285 OH2 TIP3 7659 32.018 19.498 -13.584 1.00 0.00 WAT +ATOM 29286 H1 TIP3 7659 32.661 19.389 -14.302 1.00 0.00 WAT +ATOM 29287 H2 TIP3 7659 32.267 20.386 -13.276 1.00 0.00 WAT +ATOM 29288 OH2 TIP3 7660 32.363 15.581 -19.701 1.00 0.00 WAT +ATOM 29289 H1 TIP3 7660 31.431 15.831 -19.835 1.00 0.00 WAT +ATOM 29290 H2 TIP3 7660 32.846 16.201 -20.276 1.00 0.00 WAT +ATOM 29291 OH2 TIP3 7661 32.542 14.477 -11.496 1.00 0.00 WAT +ATOM 29292 H1 TIP3 7661 31.829 14.297 -10.862 1.00 0.00 WAT +ATOM 29293 H2 TIP3 7661 32.075 15.041 -12.140 1.00 0.00 WAT +ATOM 29294 OH2 TIP3 7662 34.556 27.601 -6.818 1.00 0.00 WAT +ATOM 29295 H1 TIP3 7662 33.846 27.527 -7.477 1.00 0.00 WAT +ATOM 29296 H2 TIP3 7662 34.064 27.583 -5.988 1.00 0.00 WAT +ATOM 29297 OH2 TIP3 7663 37.429 28.577 -11.117 1.00 0.00 WAT +ATOM 29298 H1 TIP3 7663 37.044 29.393 -11.481 1.00 0.00 WAT +ATOM 29299 H2 TIP3 7663 38.374 28.729 -11.308 1.00 0.00 WAT +ATOM 29300 OH2 TIP3 7664 42.207 30.213 -8.252 1.00 0.00 WAT +ATOM 29301 H1 TIP3 7664 42.041 29.866 -7.361 1.00 0.00 WAT +ATOM 29302 H2 TIP3 7664 43.152 30.441 -8.173 1.00 0.00 WAT +ATOM 29303 OH2 TIP3 7665 34.852 31.638 -10.770 1.00 0.00 WAT +ATOM 29304 H1 TIP3 7665 34.197 32.174 -11.247 1.00 0.00 WAT +ATOM 29305 H2 TIP3 7665 34.415 31.539 -9.917 1.00 0.00 WAT +ATOM 29306 OH2 TIP3 7666 37.312 31.334 -12.235 1.00 0.00 WAT +ATOM 29307 H1 TIP3 7666 36.451 31.467 -11.786 1.00 0.00 WAT +ATOM 29308 H2 TIP3 7666 37.291 32.030 -12.912 1.00 0.00 WAT +ATOM 29309 OH2 TIP3 7667 41.970 31.084 -12.693 1.00 0.00 WAT +ATOM 29310 H1 TIP3 7667 41.774 31.590 -13.496 1.00 0.00 WAT +ATOM 29311 H2 TIP3 7667 42.581 31.666 -12.225 1.00 0.00 WAT +ATOM 29312 OH2 TIP3 7668 34.346 30.359 -13.851 1.00 0.00 WAT +ATOM 29313 H1 TIP3 7668 34.224 29.810 -13.037 1.00 0.00 WAT +ATOM 29314 H2 TIP3 7668 35.037 29.832 -14.292 1.00 0.00 WAT +ATOM 29315 OH2 TIP3 7669 36.378 29.064 -15.509 1.00 0.00 WAT +ATOM 29316 H1 TIP3 7669 36.159 28.172 -15.142 1.00 0.00 WAT +ATOM 29317 H2 TIP3 7669 37.214 29.254 -15.052 1.00 0.00 WAT +ATOM 29318 OH2 TIP3 7670 39.150 29.606 -14.530 1.00 0.00 WAT +ATOM 29319 H1 TIP3 7670 39.332 28.687 -14.746 1.00 0.00 WAT +ATOM 29320 H2 TIP3 7670 39.189 29.594 -13.559 1.00 0.00 WAT +ATOM 29321 OH2 TIP3 7671 42.748 15.042 -15.220 1.00 0.00 WAT +ATOM 29322 H1 TIP3 7671 41.850 14.703 -15.063 1.00 0.00 WAT +ATOM 29323 H2 TIP3 7671 42.923 14.698 -16.099 1.00 0.00 WAT +ATOM 29324 OH2 TIP3 7672 34.781 14.150 -17.680 1.00 0.00 WAT +ATOM 29325 H1 TIP3 7672 33.916 13.968 -18.098 1.00 0.00 WAT +ATOM 29326 H2 TIP3 7672 35.223 13.289 -17.796 1.00 0.00 WAT +ATOM 29327 OH2 TIP3 7673 33.602 13.652 -21.790 1.00 0.00 WAT +ATOM 29328 H1 TIP3 7673 34.122 14.314 -22.283 1.00 0.00 WAT +ATOM 29329 H2 TIP3 7673 33.182 14.189 -21.097 1.00 0.00 WAT +ATOM 29330 OH2 TIP3 7674 39.299 13.973 -17.798 1.00 0.00 WAT +ATOM 29331 H1 TIP3 7674 40.224 14.271 -17.871 1.00 0.00 WAT +ATOM 29332 H2 TIP3 7674 39.225 13.886 -16.838 1.00 0.00 WAT +ATOM 29333 OH2 TIP3 7675 33.834 29.617 -20.672 1.00 0.00 WAT +ATOM 29334 H1 TIP3 7675 33.159 29.498 -21.356 1.00 0.00 WAT +ATOM 29335 H2 TIP3 7675 33.784 30.572 -20.536 1.00 0.00 WAT +ATOM 29336 OH2 TIP3 7676 35.320 15.479 -23.367 1.00 0.00 WAT +ATOM 29337 H1 TIP3 7676 35.919 14.906 -23.876 1.00 0.00 WAT +ATOM 29338 H2 TIP3 7676 35.927 15.819 -22.682 1.00 0.00 WAT +ATOM 29339 OH2 TIP3 7677 40.664 15.622 -20.821 1.00 0.00 WAT +ATOM 29340 H1 TIP3 7677 40.641 14.984 -20.092 1.00 0.00 WAT +ATOM 29341 H2 TIP3 7677 40.622 16.467 -20.328 1.00 0.00 WAT +ATOM 29342 OH2 TIP3 7678 42.630 31.241 -22.540 1.00 0.00 WAT +ATOM 29343 H1 TIP3 7678 43.508 31.624 -22.717 1.00 0.00 WAT +ATOM 29344 H2 TIP3 7678 42.495 30.659 -23.309 1.00 0.00 WAT +ATOM 29345 OH2 TIP3 7679 34.612 14.298 -8.209 1.00 0.00 WAT +ATOM 29346 H1 TIP3 7679 34.258 13.572 -7.682 1.00 0.00 WAT +ATOM 29347 H2 TIP3 7679 35.536 14.314 -7.906 1.00 0.00 WAT +ATOM 29348 OH2 TIP3 7680 36.947 13.777 -6.424 1.00 0.00 WAT +ATOM 29349 H1 TIP3 7680 37.800 13.462 -6.783 1.00 0.00 WAT +ATOM 29350 H2 TIP3 7680 36.655 12.989 -5.936 1.00 0.00 WAT +ATOM 29351 OH2 TIP3 7681 35.236 30.553 -23.838 1.00 0.00 WAT +ATOM 29352 H1 TIP3 7681 34.991 30.804 -22.935 1.00 0.00 WAT +ATOM 29353 H2 TIP3 7681 36.009 29.983 -23.694 1.00 0.00 WAT +ATOM 29354 OH2 TIP3 7682 -31.582 42.024 -17.604 1.00 0.00 WAT +ATOM 29355 H1 TIP3 7682 -31.877 42.944 -17.575 1.00 0.00 WAT +ATOM 29356 H2 TIP3 7682 -32.329 41.611 -18.060 1.00 0.00 WAT +ATOM 29357 OH2 TIP3 7683 -32.800 41.325 -14.316 1.00 0.00 WAT +ATOM 29358 H1 TIP3 7683 -32.753 40.798 -13.502 1.00 0.00 WAT +ATOM 29359 H2 TIP3 7683 -33.035 40.671 -14.982 1.00 0.00 WAT +ATOM 29360 OH2 TIP3 7684 -40.214 40.743 -12.756 1.00 0.00 WAT +ATOM 29361 H1 TIP3 7684 -40.330 40.052 -12.078 1.00 0.00 WAT +ATOM 29362 H2 TIP3 7684 -39.675 41.378 -12.267 1.00 0.00 WAT +ATOM 29363 OH2 TIP3 7685 -42.124 39.221 -19.955 1.00 0.00 WAT +ATOM 29364 H1 TIP3 7685 -42.343 39.995 -19.416 1.00 0.00 WAT +ATOM 29365 H2 TIP3 7685 -42.988 38.795 -20.038 1.00 0.00 WAT +ATOM 29366 OH2 TIP3 7686 -41.940 41.202 -17.209 1.00 0.00 WAT +ATOM 29367 H1 TIP3 7686 -41.958 40.566 -16.478 1.00 0.00 WAT +ATOM 29368 H2 TIP3 7686 -41.001 41.419 -17.212 1.00 0.00 WAT +ATOM 29369 OH2 TIP3 7687 -25.589 35.211 -13.127 1.00 0.00 WAT +ATOM 29370 H1 TIP3 7687 -25.356 35.850 -12.433 1.00 0.00 WAT +ATOM 29371 H2 TIP3 7687 -24.989 35.501 -13.841 1.00 0.00 WAT +ATOM 29372 OH2 TIP3 7688 -30.952 38.037 -13.256 1.00 0.00 WAT +ATOM 29373 H1 TIP3 7688 -30.827 37.074 -13.216 1.00 0.00 WAT +ATOM 29374 H2 TIP3 7688 -31.049 38.181 -14.209 1.00 0.00 WAT +ATOM 29375 OH2 TIP3 7689 -37.980 36.052 -16.198 1.00 0.00 WAT +ATOM 29376 H1 TIP3 7689 -37.850 36.911 -16.648 1.00 0.00 WAT +ATOM 29377 H2 TIP3 7689 -38.342 35.525 -16.937 1.00 0.00 WAT +ATOM 29378 OH2 TIP3 7690 -30.136 36.218 -17.876 1.00 0.00 WAT +ATOM 29379 H1 TIP3 7690 -29.550 35.797 -17.210 1.00 0.00 WAT +ATOM 29380 H2 TIP3 7690 -29.482 36.675 -18.426 1.00 0.00 WAT +ATOM 29381 OH2 TIP3 7691 -41.427 38.778 -15.699 1.00 0.00 WAT +ATOM 29382 H1 TIP3 7691 -40.829 38.433 -15.014 1.00 0.00 WAT +ATOM 29383 H2 TIP3 7691 -41.173 38.221 -16.455 1.00 0.00 WAT +ATOM 29384 OH2 TIP3 7692 -35.886 40.177 -16.219 1.00 0.00 WAT +ATOM 29385 H1 TIP3 7692 -35.215 39.592 -15.810 1.00 0.00 WAT +ATOM 29386 H2 TIP3 7692 -36.447 39.527 -16.682 1.00 0.00 WAT +ATOM 29387 OH2 TIP3 7693 -24.868 36.590 -10.648 1.00 0.00 WAT +ATOM 29388 H1 TIP3 7693 -25.434 37.322 -10.957 1.00 0.00 WAT +ATOM 29389 H2 TIP3 7693 -25.087 36.583 -9.707 1.00 0.00 WAT +ATOM 29390 OH2 TIP3 7694 -39.186 34.865 -12.024 1.00 0.00 WAT +ATOM 29391 H1 TIP3 7694 -39.620 35.339 -12.748 1.00 0.00 WAT +ATOM 29392 H2 TIP3 7694 -39.813 35.033 -11.292 1.00 0.00 WAT +ATOM 29393 OH2 TIP3 7695 -36.465 42.665 -12.241 1.00 0.00 WAT +ATOM 29394 H1 TIP3 7695 -37.275 43.195 -12.184 1.00 0.00 WAT +ATOM 29395 H2 TIP3 7695 -35.809 43.371 -12.327 1.00 0.00 WAT +ATOM 29396 OH2 TIP3 7696 -28.302 35.446 -15.832 1.00 0.00 WAT +ATOM 29397 H1 TIP3 7696 -28.733 34.899 -15.163 1.00 0.00 WAT +ATOM 29398 H2 TIP3 7696 -27.792 36.067 -15.281 1.00 0.00 WAT +ATOM 29399 OH2 TIP3 7697 -39.575 36.905 -14.100 1.00 0.00 WAT +ATOM 29400 H1 TIP3 7697 -38.943 37.492 -13.637 1.00 0.00 WAT +ATOM 29401 H2 TIP3 7697 -38.995 36.542 -14.805 1.00 0.00 WAT +ATOM 29402 OH2 TIP3 7698 -28.179 34.594 -11.997 1.00 0.00 WAT +ATOM 29403 H1 TIP3 7698 -28.947 35.009 -12.432 1.00 0.00 WAT +ATOM 29404 H2 TIP3 7698 -27.453 34.813 -12.612 1.00 0.00 WAT +ATOM 29405 OH2 TIP3 7699 -35.053 32.330 -14.939 1.00 0.00 WAT +ATOM 29406 H1 TIP3 7699 -35.292 31.385 -14.995 1.00 0.00 WAT +ATOM 29407 H2 TIP3 7699 -35.877 32.717 -14.572 1.00 0.00 WAT +ATOM 29408 OH2 TIP3 7700 -33.080 41.435 -20.204 1.00 0.00 WAT +ATOM 29409 H1 TIP3 7700 -33.720 41.785 -20.836 1.00 0.00 WAT +ATOM 29410 H2 TIP3 7700 -32.297 41.337 -20.775 1.00 0.00 WAT +ATOM 29411 OH2 TIP3 7701 -32.671 39.419 -23.021 1.00 0.00 WAT +ATOM 29412 H1 TIP3 7701 -31.943 39.788 -22.489 1.00 0.00 WAT +ATOM 29413 H2 TIP3 7701 -32.173 38.923 -23.686 1.00 0.00 WAT +ATOM 29414 OH2 TIP3 7702 -25.555 40.542 -11.958 1.00 0.00 WAT +ATOM 29415 H1 TIP3 7702 -26.199 41.272 -11.822 1.00 0.00 WAT +ATOM 29416 H2 TIP3 7702 -25.036 40.939 -12.690 1.00 0.00 WAT +ATOM 29417 OH2 TIP3 7703 -29.362 41.397 -19.193 1.00 0.00 WAT +ATOM 29418 H1 TIP3 7703 -30.014 41.623 -18.500 1.00 0.00 WAT +ATOM 29419 H2 TIP3 7703 -28.693 40.900 -18.686 1.00 0.00 WAT +ATOM 29420 OH2 TIP3 7704 -29.632 39.803 -10.265 1.00 0.00 WAT +ATOM 29421 H1 TIP3 7704 -29.591 40.573 -9.675 1.00 0.00 WAT +ATOM 29422 H2 TIP3 7704 -30.180 40.180 -10.976 1.00 0.00 WAT +ATOM 29423 OH2 TIP3 7705 -37.709 42.169 -17.298 1.00 0.00 WAT +ATOM 29424 H1 TIP3 7705 -38.001 41.813 -18.156 1.00 0.00 WAT +ATOM 29425 H2 TIP3 7705 -37.019 41.536 -17.040 1.00 0.00 WAT +ATOM 29426 OH2 TIP3 7706 -37.306 40.748 -13.905 1.00 0.00 WAT +ATOM 29427 H1 TIP3 7706 -36.684 40.772 -14.657 1.00 0.00 WAT +ATOM 29428 H2 TIP3 7706 -36.958 41.447 -13.313 1.00 0.00 WAT +ATOM 29429 OH2 TIP3 7707 -30.561 40.743 -21.551 1.00 0.00 WAT +ATOM 29430 H1 TIP3 7707 -29.984 41.010 -20.798 1.00 0.00 WAT +ATOM 29431 H2 TIP3 7707 -30.089 41.189 -22.302 1.00 0.00 WAT +ATOM 29432 OH2 TIP3 7708 -39.567 41.443 -9.893 1.00 0.00 WAT +ATOM 29433 H1 TIP3 7708 -39.488 42.019 -9.098 1.00 0.00 WAT +ATOM 29434 H2 TIP3 7708 -40.480 41.667 -10.151 1.00 0.00 WAT +ATOM 29435 OH2 TIP3 7709 -27.050 32.460 -22.125 1.00 0.00 WAT +ATOM 29436 H1 TIP3 7709 -27.917 32.575 -21.696 1.00 0.00 WAT +ATOM 29437 H2 TIP3 7709 -26.690 33.361 -22.093 1.00 0.00 WAT +ATOM 29438 OH2 TIP3 7710 -38.961 40.865 -19.753 1.00 0.00 WAT +ATOM 29439 H1 TIP3 7710 -39.123 41.641 -20.327 1.00 0.00 WAT +ATOM 29440 H2 TIP3 7710 -39.626 40.236 -20.066 1.00 0.00 WAT +ATOM 29441 OH2 TIP3 7711 -42.012 42.776 -11.104 1.00 0.00 WAT +ATOM 29442 H1 TIP3 7711 -42.578 43.136 -11.801 1.00 0.00 WAT +ATOM 29443 H2 TIP3 7711 -42.639 42.417 -10.450 1.00 0.00 WAT +ATOM 29444 OH2 TIP3 7712 -27.643 38.370 -7.923 1.00 0.00 WAT +ATOM 29445 H1 TIP3 7712 -28.146 38.760 -8.651 1.00 0.00 WAT +ATOM 29446 H2 TIP3 7712 -27.591 37.437 -8.205 1.00 0.00 WAT +ATOM 29447 OH2 TIP3 7713 -37.481 33.480 -14.038 1.00 0.00 WAT +ATOM 29448 H1 TIP3 7713 -38.314 33.393 -14.537 1.00 0.00 WAT +ATOM 29449 H2 TIP3 7713 -37.712 34.214 -13.447 1.00 0.00 WAT +ATOM 29450 OH2 TIP3 7714 -33.108 33.056 -10.395 1.00 0.00 WAT +ATOM 29451 H1 TIP3 7714 -32.589 32.538 -9.750 1.00 0.00 WAT +ATOM 29452 H2 TIP3 7714 -34.018 32.730 -10.261 1.00 0.00 WAT +ATOM 29453 OH2 TIP3 7715 -29.932 36.851 -9.864 1.00 0.00 WAT +ATOM 29454 H1 TIP3 7715 -30.551 36.707 -9.124 1.00 0.00 WAT +ATOM 29455 H2 TIP3 7715 -30.017 37.805 -10.042 1.00 0.00 WAT +ATOM 29456 OH2 TIP3 7716 -29.167 41.759 -23.613 1.00 0.00 WAT +ATOM 29457 H1 TIP3 7716 -29.214 41.584 -24.569 1.00 0.00 WAT +ATOM 29458 H2 TIP3 7716 -28.276 42.156 -23.541 1.00 0.00 WAT +ATOM 29459 OH2 TIP3 7717 -33.303 35.575 -23.122 1.00 0.00 WAT +ATOM 29460 H1 TIP3 7717 -33.796 35.441 -22.300 1.00 0.00 WAT +ATOM 29461 H2 TIP3 7717 -33.708 34.895 -23.688 1.00 0.00 WAT +ATOM 29462 OH2 TIP3 7718 -37.609 38.269 -12.607 1.00 0.00 WAT +ATOM 29463 H1 TIP3 7718 -38.232 38.388 -11.870 1.00 0.00 WAT +ATOM 29464 H2 TIP3 7718 -37.559 39.174 -12.986 1.00 0.00 WAT +ATOM 29465 OH2 TIP3 7719 -37.694 38.329 -17.751 1.00 0.00 WAT +ATOM 29466 H1 TIP3 7719 -38.651 38.298 -17.928 1.00 0.00 WAT +ATOM 29467 H2 TIP3 7719 -37.342 38.166 -18.648 1.00 0.00 WAT +ATOM 29468 OH2 TIP3 7720 -32.071 38.981 -18.950 1.00 0.00 WAT +ATOM 29469 H1 TIP3 7720 -32.523 39.752 -19.341 1.00 0.00 WAT +ATOM 29470 H2 TIP3 7720 -31.389 38.793 -19.618 1.00 0.00 WAT +ATOM 29471 OH2 TIP3 7721 -32.870 39.208 -7.534 1.00 0.00 WAT +ATOM 29472 H1 TIP3 7721 -33.371 38.434 -7.211 1.00 0.00 WAT +ATOM 29473 H2 TIP3 7721 -31.983 39.045 -7.161 1.00 0.00 WAT +ATOM 29474 OH2 TIP3 7722 -31.235 38.299 -16.195 1.00 0.00 WAT +ATOM 29475 H1 TIP3 7722 -31.503 38.855 -16.952 1.00 0.00 WAT +ATOM 29476 H2 TIP3 7722 -30.986 37.486 -16.678 1.00 0.00 WAT +ATOM 29477 OH2 TIP3 7723 -40.231 38.424 -10.801 1.00 0.00 WAT +ATOM 29478 H1 TIP3 7723 -39.996 38.840 -9.963 1.00 0.00 WAT +ATOM 29479 H2 TIP3 7723 -40.517 37.540 -10.511 1.00 0.00 WAT +ATOM 29480 OH2 TIP3 7724 -36.865 36.029 -24.191 1.00 0.00 WAT +ATOM 29481 H1 TIP3 7724 -37.245 35.646 -23.377 1.00 0.00 WAT +ATOM 29482 H2 TIP3 7724 -37.644 36.171 -24.741 1.00 0.00 WAT +ATOM 29483 OH2 TIP3 7725 -43.203 36.043 -17.135 1.00 0.00 WAT +ATOM 29484 H1 TIP3 7725 -43.040 35.801 -16.203 1.00 0.00 WAT +ATOM 29485 H2 TIP3 7725 -42.783 35.318 -17.602 1.00 0.00 WAT +ATOM 29486 OH2 TIP3 7726 -42.083 36.452 -21.305 1.00 0.00 WAT +ATOM 29487 H1 TIP3 7726 -41.484 36.739 -22.017 1.00 0.00 WAT +ATOM 29488 H2 TIP3 7726 -42.910 36.868 -21.571 1.00 0.00 WAT +ATOM 29489 OH2 TIP3 7727 -32.253 39.966 -11.766 1.00 0.00 WAT +ATOM 29490 H1 TIP3 7727 -31.704 39.303 -12.239 1.00 0.00 WAT +ATOM 29491 H2 TIP3 7727 -32.513 39.465 -10.979 1.00 0.00 WAT +ATOM 29492 OH2 TIP3 7728 -34.908 35.925 -16.712 1.00 0.00 WAT +ATOM 29493 H1 TIP3 7728 -35.851 35.905 -16.479 1.00 0.00 WAT +ATOM 29494 H2 TIP3 7728 -34.493 35.766 -15.846 1.00 0.00 WAT +ATOM 29495 OH2 TIP3 7729 -40.413 37.201 -18.090 1.00 0.00 WAT +ATOM 29496 H1 TIP3 7729 -41.145 37.346 -18.706 1.00 0.00 WAT +ATOM 29497 H2 TIP3 7729 -40.031 36.369 -18.429 1.00 0.00 WAT +ATOM 29498 OH2 TIP3 7730 -36.711 37.487 -20.371 1.00 0.00 WAT +ATOM 29499 H1 TIP3 7730 -35.744 37.579 -20.305 1.00 0.00 WAT +ATOM 29500 H2 TIP3 7730 -36.955 38.107 -21.081 1.00 0.00 WAT +ATOM 29501 OH2 TIP3 7731 -30.515 35.063 -13.703 1.00 0.00 WAT +ATOM 29502 H1 TIP3 7731 -31.149 35.082 -12.952 1.00 0.00 WAT +ATOM 29503 H2 TIP3 7731 -31.106 34.738 -14.404 1.00 0.00 WAT +ATOM 29504 OH2 TIP3 7732 -38.262 38.777 -22.588 1.00 0.00 WAT +ATOM 29505 H1 TIP3 7732 -38.825 38.438 -23.301 1.00 0.00 WAT +ATOM 29506 H2 TIP3 7732 -37.437 38.969 -23.070 1.00 0.00 WAT +ATOM 29507 OH2 TIP3 7733 -39.557 43.077 -7.751 1.00 0.00 WAT +ATOM 29508 H1 TIP3 7733 -38.906 43.569 -7.214 1.00 0.00 WAT +ATOM 29509 H2 TIP3 7733 -40.364 43.213 -7.212 1.00 0.00 WAT +ATOM 29510 OH2 TIP3 7734 -33.910 38.481 -14.905 1.00 0.00 WAT +ATOM 29511 H1 TIP3 7734 -33.137 38.082 -15.333 1.00 0.00 WAT +ATOM 29512 H2 TIP3 7734 -34.040 37.895 -14.133 1.00 0.00 WAT +ATOM 29513 OH2 TIP3 7735 -38.732 34.851 -18.644 1.00 0.00 WAT +ATOM 29514 H1 TIP3 7735 -39.165 33.988 -18.593 1.00 0.00 WAT +ATOM 29515 H2 TIP3 7735 -37.919 34.636 -19.123 1.00 0.00 WAT +ATOM 29516 OH2 TIP3 7736 -34.918 36.941 -12.650 1.00 0.00 WAT +ATOM 29517 H1 TIP3 7736 -35.694 37.527 -12.636 1.00 0.00 WAT +ATOM 29518 H2 TIP3 7736 -34.424 37.211 -11.851 1.00 0.00 WAT +ATOM 29519 OH2 TIP3 7737 -35.265 43.652 -20.461 1.00 0.00 WAT +ATOM 29520 H1 TIP3 7737 -35.582 43.006 -21.119 1.00 0.00 WAT +ATOM 29521 H2 TIP3 7737 -34.653 43.167 -19.903 1.00 0.00 WAT +ATOM 29522 OH2 TIP3 7738 -27.313 42.652 -12.073 1.00 0.00 WAT +ATOM 29523 H1 TIP3 7738 -27.045 43.113 -12.888 1.00 0.00 WAT +ATOM 29524 H2 TIP3 7738 -28.264 42.563 -12.270 1.00 0.00 WAT +ATOM 29525 OH2 TIP3 7739 -30.618 36.149 -22.971 1.00 0.00 WAT +ATOM 29526 H1 TIP3 7739 -31.600 36.145 -23.019 1.00 0.00 WAT +ATOM 29527 H2 TIP3 7739 -30.427 36.887 -22.359 1.00 0.00 WAT +ATOM 29528 OH2 TIP3 7740 -29.939 37.978 -20.900 1.00 0.00 WAT +ATOM 29529 H1 TIP3 7740 -29.056 37.811 -20.516 1.00 0.00 WAT +ATOM 29530 H2 TIP3 7740 -29.818 38.846 -21.325 1.00 0.00 WAT +ATOM 29531 OH2 TIP3 7741 -39.728 42.168 -15.434 1.00 0.00 WAT +ATOM 29532 H1 TIP3 7741 -38.851 42.324 -15.838 1.00 0.00 WAT +ATOM 29533 H2 TIP3 7741 -39.494 41.665 -14.635 1.00 0.00 WAT +ATOM 29534 OH2 TIP3 7742 -42.827 41.080 -9.191 1.00 0.00 WAT +ATOM 29535 H1 TIP3 7742 -42.371 40.473 -8.584 1.00 0.00 WAT +ATOM 29536 H2 TIP3 7742 -42.987 40.527 -9.987 1.00 0.00 WAT +ATOM 29537 OH2 TIP3 7743 -35.418 40.496 -7.651 1.00 0.00 WAT +ATOM 29538 H1 TIP3 7743 -35.774 40.270 -8.527 1.00 0.00 WAT +ATOM 29539 H2 TIP3 7743 -34.475 40.278 -7.766 1.00 0.00 WAT +ATOM 29540 OH2 TIP3 7744 -25.366 37.982 -21.176 1.00 0.00 WAT +ATOM 29541 H1 TIP3 7744 -25.906 37.789 -21.968 1.00 0.00 WAT +ATOM 29542 H2 TIP3 7744 -25.230 38.938 -21.323 1.00 0.00 WAT +ATOM 29543 OH2 TIP3 7745 -29.893 41.807 -13.397 1.00 0.00 WAT +ATOM 29544 H1 TIP3 7745 -30.802 41.820 -13.735 1.00 0.00 WAT +ATOM 29545 H2 TIP3 7745 -29.405 41.354 -14.101 1.00 0.00 WAT +ATOM 29546 OH2 TIP3 7746 -41.588 40.999 -22.972 1.00 0.00 WAT +ATOM 29547 H1 TIP3 7746 -40.831 41.460 -22.574 1.00 0.00 WAT +ATOM 29548 H2 TIP3 7746 -42.291 41.638 -22.771 1.00 0.00 WAT +ATOM 29549 OH2 TIP3 7747 -40.999 35.722 -10.011 1.00 0.00 WAT +ATOM 29550 H1 TIP3 7747 -41.853 36.077 -10.324 1.00 0.00 WAT +ATOM 29551 H2 TIP3 7747 -41.229 34.866 -9.610 1.00 0.00 WAT +ATOM 29552 OH2 TIP3 7748 -39.597 -43.930 -21.348 1.00 0.00 WAT +ATOM 29553 H1 TIP3 7748 -40.509 -43.579 -21.266 1.00 0.00 WAT +ATOM 29554 H2 TIP3 7748 -39.110 -43.116 -21.544 1.00 0.00 WAT +ATOM 29555 OH2 TIP3 7749 -32.088 35.477 -11.506 1.00 0.00 WAT +ATOM 29556 H1 TIP3 7749 -31.489 35.761 -10.800 1.00 0.00 WAT +ATOM 29557 H2 TIP3 7749 -32.592 34.753 -11.086 1.00 0.00 WAT +ATOM 29558 OH2 TIP3 7750 -31.464 34.925 -20.238 1.00 0.00 WAT +ATOM 29559 H1 TIP3 7750 -31.285 35.449 -21.034 1.00 0.00 WAT +ATOM 29560 H2 TIP3 7750 -31.001 35.436 -19.551 1.00 0.00 WAT +ATOM 29561 OH2 TIP3 7751 -34.042 36.920 -19.289 1.00 0.00 WAT +ATOM 29562 H1 TIP3 7751 -33.280 37.516 -19.146 1.00 0.00 WAT +ATOM 29563 H2 TIP3 7751 -34.337 36.755 -18.373 1.00 0.00 WAT +ATOM 29564 OH2 TIP3 7752 -33.655 37.903 -10.116 1.00 0.00 WAT +ATOM 29565 H1 TIP3 7752 -33.612 38.407 -9.287 1.00 0.00 WAT +ATOM 29566 H2 TIP3 7752 -33.159 37.107 -9.885 1.00 0.00 WAT +ATOM 29567 OH2 TIP3 7753 -33.460 33.934 -18.347 1.00 0.00 WAT +ATOM 29568 H1 TIP3 7753 -33.664 34.631 -17.695 1.00 0.00 WAT +ATOM 29569 H2 TIP3 7753 -32.732 34.350 -18.852 1.00 0.00 WAT +ATOM 29570 OH2 TIP3 7754 -37.744 34.944 -21.766 1.00 0.00 WAT +ATOM 29571 H1 TIP3 7754 -37.654 35.752 -21.231 1.00 0.00 WAT +ATOM 29572 H2 TIP3 7754 -36.923 34.469 -21.526 1.00 0.00 WAT +ATOM 29573 OH2 TIP3 7755 -27.407 35.834 -9.243 1.00 0.00 WAT +ATOM 29574 H1 TIP3 7755 -28.364 35.972 -9.397 1.00 0.00 WAT +ATOM 29575 H2 TIP3 7755 -27.142 35.638 -10.153 1.00 0.00 WAT +ATOM 29576 OH2 TIP3 7756 -28.872 39.666 -15.298 1.00 0.00 WAT +ATOM 29577 H1 TIP3 7756 -29.719 39.225 -15.484 1.00 0.00 WAT +ATOM 29578 H2 TIP3 7756 -28.404 38.994 -14.760 1.00 0.00 WAT +ATOM 29579 OH2 TIP3 7757 -41.126 37.985 -23.619 1.00 0.00 WAT +ATOM 29580 H1 TIP3 7757 -41.080 38.919 -23.368 1.00 0.00 WAT +ATOM 29581 H2 TIP3 7757 -41.983 37.888 -24.043 1.00 0.00 WAT +ATOM 29582 OH2 TIP3 7758 -40.241 32.939 -14.887 1.00 0.00 WAT +ATOM 29583 H1 TIP3 7758 -40.587 32.939 -15.797 1.00 0.00 WAT +ATOM 29584 H2 TIP3 7758 -40.686 32.156 -14.501 1.00 0.00 WAT +ATOM 29585 OH2 TIP3 7759 -41.990 43.491 -6.660 1.00 0.00 WAT +ATOM 29586 H1 TIP3 7759 -41.935 42.529 -6.604 1.00 0.00 WAT +ATOM 29587 H2 TIP3 7759 -42.940 43.609 -6.470 1.00 0.00 WAT +ATOM 29588 OH2 TIP3 7760 -35.864 43.286 -7.266 1.00 0.00 WAT +ATOM 29589 H1 TIP3 7760 -35.847 43.455 -8.230 1.00 0.00 WAT +ATOM 29590 H2 TIP3 7760 -35.514 42.373 -7.225 1.00 0.00 WAT +ATOM 29591 OH2 TIP3 7761 -29.849 -43.761 -9.520 1.00 0.00 WAT +ATOM 29592 H1 TIP3 7761 -29.052 -43.329 -9.861 1.00 0.00 WAT +ATOM 29593 H2 TIP3 7761 -30.522 -43.097 -9.713 1.00 0.00 WAT +ATOM 29594 OH2 TIP3 7762 -41.303 40.206 -6.995 1.00 0.00 WAT +ATOM 29595 H1 TIP3 7762 -40.501 39.659 -7.083 1.00 0.00 WAT +ATOM 29596 H2 TIP3 7762 -41.324 40.366 -6.042 1.00 0.00 WAT +ATOM 29597 OH2 TIP3 7763 -36.616 41.615 -22.002 1.00 0.00 WAT +ATOM 29598 H1 TIP3 7763 -37.269 41.200 -21.425 1.00 0.00 WAT +ATOM 29599 H2 TIP3 7763 -36.461 40.923 -22.673 1.00 0.00 WAT +ATOM 29600 OH2 TIP3 7764 -37.464 39.336 -9.661 1.00 0.00 WAT +ATOM 29601 H1 TIP3 7764 -38.060 40.091 -9.503 1.00 0.00 WAT +ATOM 29602 H2 TIP3 7764 -36.850 39.702 -10.321 1.00 0.00 WAT +ATOM 29603 OH2 TIP3 7765 -35.783 39.565 -23.733 1.00 0.00 WAT +ATOM 29604 H1 TIP3 7765 -35.799 39.716 -24.697 1.00 0.00 WAT +ATOM 29605 H2 TIP3 7765 -34.824 39.555 -23.558 1.00 0.00 WAT +ATOM 29606 OH2 TIP3 7766 -32.180 42.158 -6.122 1.00 0.00 WAT +ATOM 29607 H1 TIP3 7766 -31.311 41.960 -6.489 1.00 0.00 WAT +ATOM 29608 H2 TIP3 7766 -32.518 41.290 -5.889 1.00 0.00 WAT +ATOM 29609 OH2 TIP3 7767 -26.502 41.886 -24.503 1.00 0.00 WAT +ATOM 29610 H1 TIP3 7767 -26.568 41.826 -25.470 1.00 0.00 WAT +ATOM 29611 H2 TIP3 7767 -26.440 42.849 -24.337 1.00 0.00 WAT +ATOM 29612 OH2 TIP3 7768 -36.902 36.626 -8.556 1.00 0.00 WAT +ATOM 29613 H1 TIP3 7768 -36.839 35.975 -9.278 1.00 0.00 WAT +ATOM 29614 H2 TIP3 7768 -37.111 37.442 -9.045 1.00 0.00 WAT +ATOM 29615 OH2 TIP3 7769 -36.563 35.096 -11.116 1.00 0.00 WAT +ATOM 29616 H1 TIP3 7769 -36.051 35.631 -11.753 1.00 0.00 WAT +ATOM 29617 H2 TIP3 7769 -37.476 35.141 -11.471 1.00 0.00 WAT +ATOM 29618 OH2 TIP3 7770 -35.056 40.668 -10.803 1.00 0.00 WAT +ATOM 29619 H1 TIP3 7770 -34.216 40.555 -11.278 1.00 0.00 WAT +ATOM 29620 H2 TIP3 7770 -35.414 41.477 -11.209 1.00 0.00 WAT +ATOM 29621 OH2 TIP3 7771 -30.430 38.489 -5.931 1.00 0.00 WAT +ATOM 29622 H1 TIP3 7771 -30.216 37.551 -5.809 1.00 0.00 WAT +ATOM 29623 H2 TIP3 7771 -29.544 38.880 -5.986 1.00 0.00 WAT +ATOM 29624 OH2 TIP3 7772 -29.474 41.362 -7.578 1.00 0.00 WAT +ATOM 29625 H1 TIP3 7772 -29.712 42.081 -8.207 1.00 0.00 WAT +ATOM 29626 H2 TIP3 7772 -28.559 41.189 -7.862 1.00 0.00 WAT +ATOM 29627 OH2 TIP3 7773 -38.785 38.531 -6.771 1.00 0.00 WAT +ATOM 29628 H1 TIP3 7773 -39.309 37.709 -6.784 1.00 0.00 WAT +ATOM 29629 H2 TIP3 7773 -37.973 38.260 -7.223 1.00 0.00 WAT +ATOM 29630 OH2 TIP3 7774 -35.852 32.425 -10.764 1.00 0.00 WAT +ATOM 29631 H1 TIP3 7774 -36.025 33.378 -10.928 1.00 0.00 WAT +ATOM 29632 H2 TIP3 7774 -36.562 32.013 -11.293 1.00 0.00 WAT +ATOM 29633 OH2 TIP3 7775 -34.570 37.001 -6.980 1.00 0.00 WAT +ATOM 29634 H1 TIP3 7775 -34.927 36.814 -6.094 1.00 0.00 WAT +ATOM 29635 H2 TIP3 7775 -35.370 36.815 -7.516 1.00 0.00 WAT +ATOM 29636 OH2 TIP3 7776 -32.053 36.060 -8.109 1.00 0.00 WAT +ATOM 29637 H1 TIP3 7776 -32.933 36.124 -7.691 1.00 0.00 WAT +ATOM 29638 H2 TIP3 7776 -31.598 35.429 -7.520 1.00 0.00 WAT +ATOM 29639 OH2 TIP3 7777 -30.187 34.530 -6.373 1.00 0.00 WAT +ATOM 29640 H1 TIP3 7777 -30.364 33.584 -6.210 1.00 0.00 WAT +ATOM 29641 H2 TIP3 7777 -30.384 34.948 -5.514 1.00 0.00 WAT +ATOM 29642 OH2 TIP3 7778 -40.131 35.974 -6.944 1.00 0.00 WAT +ATOM 29643 H1 TIP3 7778 -40.168 35.250 -7.588 1.00 0.00 WAT +ATOM 29644 H2 TIP3 7778 -40.326 35.515 -6.106 1.00 0.00 WAT +ATOM 29645 OH2 TIP3 7779 -36.009 31.923 -7.946 1.00 0.00 WAT +ATOM 29646 H1 TIP3 7779 -35.419 31.154 -7.898 1.00 0.00 WAT +ATOM 29647 H2 TIP3 7779 -36.044 32.073 -8.911 1.00 0.00 WAT +ATOM 29648 OH2 TIP3 7780 -35.063 33.778 -6.084 1.00 0.00 WAT +ATOM 29649 H1 TIP3 7780 -35.373 33.194 -6.806 1.00 0.00 WAT +ATOM 29650 H2 TIP3 7780 -35.743 34.469 -6.068 1.00 0.00 WAT +ATOM 29651 OH2 TIP3 7781 -25.701 43.578 -20.145 1.00 0.00 WAT +ATOM 29652 H1 TIP3 7781 -24.743 43.645 -20.248 1.00 0.00 WAT +ATOM 29653 H2 TIP3 7781 -25.822 42.774 -19.617 1.00 0.00 WAT +ATOM 29654 OH2 TIP3 7782 -25.315 41.332 -18.475 1.00 0.00 WAT +ATOM 29655 H1 TIP3 7782 -26.080 40.885 -18.063 1.00 0.00 WAT +ATOM 29656 H2 TIP3 7782 -24.728 41.511 -17.717 1.00 0.00 WAT +ATOM 29657 OH2 TIP3 7783 -25.140 40.927 -21.937 1.00 0.00 WAT +ATOM 29658 H1 TIP3 7783 -25.757 41.166 -22.654 1.00 0.00 WAT +ATOM 29659 H2 TIP3 7783 -25.256 41.675 -21.335 1.00 0.00 WAT +ATOM 29660 OH2 TIP3 7784 -26.866 38.433 -23.610 1.00 0.00 WAT +ATOM 29661 H1 TIP3 7784 -26.658 39.068 -24.311 1.00 0.00 WAT +ATOM 29662 H2 TIP3 7784 -27.095 37.624 -24.109 1.00 0.00 WAT +ATOM 29663 OH2 TIP3 7785 -27.579 39.656 -17.727 1.00 0.00 WAT +ATOM 29664 H1 TIP3 7785 -27.589 38.694 -17.855 1.00 0.00 WAT +ATOM 29665 H2 TIP3 7785 -27.932 39.739 -16.814 1.00 0.00 WAT +ATOM 29666 OH2 TIP3 7786 -42.467 42.140 -13.878 1.00 0.00 WAT +ATOM 29667 H1 TIP3 7786 -42.307 41.789 -14.758 1.00 0.00 WAT +ATOM 29668 H2 TIP3 7786 -41.779 41.696 -13.341 1.00 0.00 WAT +ATOM 29669 OH2 TIP3 7787 -26.723 41.606 -8.487 1.00 0.00 WAT +ATOM 29670 H1 TIP3 7787 -25.990 41.011 -8.230 1.00 0.00 WAT +ATOM 29671 H2 TIP3 7787 -26.289 42.433 -8.764 1.00 0.00 WAT +ATOM 29672 OH2 TIP3 7788 -25.289 39.648 -7.336 1.00 0.00 WAT +ATOM 29673 H1 TIP3 7788 -26.099 39.125 -7.518 1.00 0.00 WAT +ATOM 29674 H2 TIP3 7788 -24.607 38.954 -7.304 1.00 0.00 WAT +ATOM 29675 OH2 TIP3 7789 -27.405 35.789 -24.417 1.00 0.00 WAT +ATOM 29676 H1 TIP3 7789 -26.811 35.296 -23.823 1.00 0.00 WAT +ATOM 29677 H2 TIP3 7789 -28.199 35.237 -24.465 1.00 0.00 WAT +ATOM 29678 OH2 TIP3 7790 -27.585 37.059 -19.455 1.00 0.00 WAT +ATOM 29679 H1 TIP3 7790 -27.333 36.112 -19.410 1.00 0.00 WAT +ATOM 29680 H2 TIP3 7790 -26.785 37.431 -19.869 1.00 0.00 WAT +ATOM 29681 OH2 TIP3 7791 -27.365 37.655 -14.033 1.00 0.00 WAT +ATOM 29682 H1 TIP3 7791 -26.397 37.797 -14.059 1.00 0.00 WAT +ATOM 29683 H2 TIP3 7791 -27.518 37.722 -13.075 1.00 0.00 WAT +ATOM 29684 OH2 TIP3 7792 -27.195 38.373 -11.206 1.00 0.00 WAT +ATOM 29685 H1 TIP3 7792 -28.057 38.759 -10.963 1.00 0.00 WAT +ATOM 29686 H2 TIP3 7792 -26.684 39.174 -11.448 1.00 0.00 WAT +ATOM 29687 OH2 TIP3 7793 -42.886 37.034 -7.699 1.00 0.00 WAT +ATOM 29688 H1 TIP3 7793 -42.002 36.652 -7.586 1.00 0.00 WAT +ATOM 29689 H2 TIP3 7793 -43.486 36.336 -7.397 1.00 0.00 WAT +ATOM 29690 OH2 TIP3 7794 -24.632 32.525 -5.920 1.00 0.00 WAT +ATOM 29691 H1 TIP3 7794 -24.231 31.837 -6.483 1.00 0.00 WAT +ATOM 29692 H2 TIP3 7794 -24.616 33.304 -6.510 1.00 0.00 WAT +ATOM 29693 OH2 TIP3 7795 -27.125 34.272 -19.495 1.00 0.00 WAT +ATOM 29694 H1 TIP3 7795 -27.009 33.959 -18.581 1.00 0.00 WAT +ATOM 29695 H2 TIP3 7795 -27.924 33.778 -19.772 1.00 0.00 WAT +ATOM 29696 OH2 TIP3 7796 -41.939 35.563 -14.512 1.00 0.00 WAT +ATOM 29697 H1 TIP3 7796 -41.586 34.664 -14.447 1.00 0.00 WAT +ATOM 29698 H2 TIP3 7796 -41.171 36.105 -14.254 1.00 0.00 WAT +ATOM 29699 OH2 TIP3 7797 -43.268 38.153 -13.569 1.00 0.00 WAT +ATOM 29700 H1 TIP3 7797 -42.924 37.664 -14.329 1.00 0.00 WAT +ATOM 29701 H2 TIP3 7797 -43.081 39.064 -13.814 1.00 0.00 WAT +ATOM 29702 OH2 TIP3 7798 -25.262 34.571 -7.672 1.00 0.00 WAT +ATOM 29703 H1 TIP3 7798 -26.136 35.001 -7.622 1.00 0.00 WAT +ATOM 29704 H2 TIP3 7798 -25.388 34.030 -8.473 1.00 0.00 WAT +ATOM 29705 OH2 TIP3 7799 -25.173 34.755 -22.837 1.00 0.00 WAT +ATOM 29706 H1 TIP3 7799 -24.834 33.955 -23.271 1.00 0.00 WAT +ATOM 29707 H2 TIP3 7799 -24.362 35.278 -22.721 1.00 0.00 WAT +ATOM 29708 OH2 TIP3 7800 -43.150 34.284 -20.086 1.00 0.00 WAT +ATOM 29709 H1 TIP3 7800 -43.997 34.591 -20.440 1.00 0.00 WAT +ATOM 29710 H2 TIP3 7800 -42.559 35.000 -20.415 1.00 0.00 WAT +ATOM 29711 OH2 TIP3 7801 -42.921 33.208 -11.754 1.00 0.00 WAT +ATOM 29712 H1 TIP3 7801 -43.577 33.161 -11.019 1.00 0.00 WAT +ATOM 29713 H2 TIP3 7801 -43.336 33.789 -12.407 1.00 0.00 WAT +ATOM 29714 OH2 TIP3 7802 -26.393 32.809 -9.690 1.00 0.00 WAT +ATOM 29715 H1 TIP3 7802 -27.189 33.029 -10.204 1.00 0.00 WAT +ATOM 29716 H2 TIP3 7802 -26.185 31.913 -10.028 1.00 0.00 WAT +ATOM 29717 OH2 TIP3 7803 -32.962 34.293 -15.218 1.00 0.00 WAT +ATOM 29718 H1 TIP3 7803 -33.662 33.626 -15.083 1.00 0.00 WAT +ATOM 29719 H2 TIP3 7803 -32.374 33.840 -15.841 1.00 0.00 WAT +ATOM 29720 OH2 TIP3 7804 -28.018 32.290 -14.772 1.00 0.00 WAT +ATOM 29721 H1 TIP3 7804 -27.265 32.765 -15.165 1.00 0.00 WAT +ATOM 29722 H2 TIP3 7804 -28.765 32.616 -15.302 1.00 0.00 WAT +ATOM 29723 OH2 TIP3 7805 -25.937 33.406 -16.917 1.00 0.00 WAT +ATOM 29724 H1 TIP3 7805 -25.208 33.025 -17.436 1.00 0.00 WAT +ATOM 29725 H2 TIP3 7805 -25.623 34.327 -16.797 1.00 0.00 WAT +ATOM 29726 OH2 TIP3 7806 -41.071 32.877 -17.699 1.00 0.00 WAT +ATOM 29727 H1 TIP3 7806 -41.799 32.591 -18.264 1.00 0.00 WAT +ATOM 29728 H2 TIP3 7806 -40.451 32.132 -17.796 1.00 0.00 WAT +ATOM 29729 OH2 TIP3 7807 -41.825 32.486 -21.894 1.00 0.00 WAT +ATOM 29730 H1 TIP3 7807 -41.307 33.156 -22.383 1.00 0.00 WAT +ATOM 29731 H2 TIP3 7807 -42.331 33.051 -21.280 1.00 0.00 WAT +ATOM 29732 OH2 TIP3 7808 -36.151 32.828 -17.794 1.00 0.00 WAT +ATOM 29733 H1 TIP3 7808 -35.244 33.144 -17.937 1.00 0.00 WAT +ATOM 29734 H2 TIP3 7808 -36.173 32.756 -16.832 1.00 0.00 WAT +ATOM 29735 OH2 TIP3 7809 -30.540 32.875 -16.385 1.00 0.00 WAT +ATOM 29736 H1 TIP3 7809 -30.299 32.732 -17.310 1.00 0.00 WAT +ATOM 29737 H2 TIP3 7809 -30.944 32.020 -16.148 1.00 0.00 WAT +ATOM 29738 OH2 TIP3 7810 -29.446 32.877 -20.385 1.00 0.00 WAT +ATOM 29739 H1 TIP3 7810 -30.262 33.393 -20.533 1.00 0.00 WAT +ATOM 29740 H2 TIP3 7810 -29.805 31.979 -20.288 1.00 0.00 WAT +ATOM 29741 OH2 TIP3 7811 -40.056 34.371 -23.350 1.00 0.00 WAT +ATOM 29742 H1 TIP3 7811 -39.476 33.787 -23.868 1.00 0.00 WAT +ATOM 29743 H2 TIP3 7811 -39.441 34.665 -22.648 1.00 0.00 WAT +ATOM 29744 OH2 TIP3 7812 -35.000 34.511 -20.738 1.00 0.00 WAT +ATOM 29745 H1 TIP3 7812 -34.643 33.935 -20.045 1.00 0.00 WAT +ATOM 29746 H2 TIP3 7812 -34.781 35.381 -20.367 1.00 0.00 WAT +ATOM 29747 OH2 TIP3 7813 -40.790 33.269 -8.178 1.00 0.00 WAT +ATOM 29748 H1 TIP3 7813 -41.251 32.516 -7.772 1.00 0.00 WAT +ATOM 29749 H2 TIP3 7813 -39.880 33.121 -7.867 1.00 0.00 WAT +ATOM 29750 OH2 TIP3 7814 -38.437 32.642 -6.408 1.00 0.00 WAT +ATOM 29751 H1 TIP3 7814 -37.619 32.282 -6.806 1.00 0.00 WAT +ATOM 29752 H2 TIP3 7814 -38.788 31.854 -5.958 1.00 0.00 WAT +ATOM 29753 OH2 TIP3 7815 -30.311 31.727 -6.246 1.00 0.00 WAT +ATOM 29754 H1 TIP3 7815 -30.272 31.329 -5.356 1.00 0.00 WAT +ATOM 29755 H2 TIP3 7815 -29.371 31.714 -6.504 1.00 0.00 WAT +ATOM 29756 OH2 TIP3 7816 -12.720 42.035 -17.617 1.00 0.00 WAT +ATOM 29757 H1 TIP3 7816 -13.044 42.944 -17.593 1.00 0.00 WAT +ATOM 29758 H2 TIP3 7816 -13.458 41.594 -18.064 1.00 0.00 WAT +ATOM 29759 OH2 TIP3 7817 -13.914 41.322 -14.322 1.00 0.00 WAT +ATOM 29760 H1 TIP3 7817 -13.894 40.797 -13.507 1.00 0.00 WAT +ATOM 29761 H2 TIP3 7817 -14.180 40.671 -14.982 1.00 0.00 WAT +ATOM 29762 OH2 TIP3 7818 -21.491 40.824 -12.706 1.00 0.00 WAT +ATOM 29763 H1 TIP3 7818 -21.500 40.074 -12.086 1.00 0.00 WAT +ATOM 29764 H2 TIP3 7818 -20.736 41.326 -12.372 1.00 0.00 WAT +ATOM 29765 OH2 TIP3 7819 -23.790 38.848 -18.785 1.00 0.00 WAT +ATOM 29766 H1 TIP3 7819 -24.215 39.720 -18.716 1.00 0.00 WAT +ATOM 29767 H2 TIP3 7819 -24.482 38.329 -19.210 1.00 0.00 WAT +ATOM 29768 OH2 TIP3 7820 -22.845 41.350 -16.926 1.00 0.00 WAT +ATOM 29769 H1 TIP3 7820 -22.846 40.549 -16.367 1.00 0.00 WAT +ATOM 29770 H2 TIP3 7820 -22.040 41.195 -17.436 1.00 0.00 WAT +ATOM 29771 OH2 TIP3 7821 -6.693 35.188 -13.111 1.00 0.00 WAT +ATOM 29772 H1 TIP3 7821 -6.518 35.856 -12.428 1.00 0.00 WAT +ATOM 29773 H2 TIP3 7821 -6.149 35.533 -13.843 1.00 0.00 WAT +ATOM 29774 OH2 TIP3 7822 -12.083 38.044 -13.262 1.00 0.00 WAT +ATOM 29775 H1 TIP3 7822 -11.971 37.080 -13.236 1.00 0.00 WAT +ATOM 29776 H2 TIP3 7822 -12.217 38.196 -14.210 1.00 0.00 WAT +ATOM 29777 OH2 TIP3 7823 -19.156 36.052 -16.178 1.00 0.00 WAT +ATOM 29778 H1 TIP3 7823 -18.976 36.894 -16.642 1.00 0.00 WAT +ATOM 29779 H2 TIP3 7823 -19.452 35.510 -16.935 1.00 0.00 WAT +ATOM 29780 OH2 TIP3 7824 -11.255 36.284 -17.812 1.00 0.00 WAT +ATOM 29781 H1 TIP3 7824 -10.659 35.814 -17.193 1.00 0.00 WAT +ATOM 29782 H2 TIP3 7824 -10.620 36.664 -18.434 1.00 0.00 WAT +ATOM 29783 OH2 TIP3 7825 -22.475 38.757 -15.678 1.00 0.00 WAT +ATOM 29784 H1 TIP3 7825 -21.817 38.311 -15.121 1.00 0.00 WAT +ATOM 29785 H2 TIP3 7825 -22.351 38.289 -16.525 1.00 0.00 WAT +ATOM 29786 OH2 TIP3 7826 -17.048 40.185 -16.187 1.00 0.00 WAT +ATOM 29787 H1 TIP3 7826 -16.359 39.601 -15.812 1.00 0.00 WAT +ATOM 29788 H2 TIP3 7826 -17.574 39.547 -16.708 1.00 0.00 WAT +ATOM 29789 OH2 TIP3 7827 -6.002 36.594 -10.638 1.00 0.00 WAT +ATOM 29790 H1 TIP3 7827 -6.578 37.317 -10.949 1.00 0.00 WAT +ATOM 29791 H2 TIP3 7827 -6.244 36.570 -9.702 1.00 0.00 WAT +ATOM 29792 OH2 TIP3 7828 -20.356 34.832 -12.010 1.00 0.00 WAT +ATOM 29793 H1 TIP3 7828 -20.736 35.327 -12.752 1.00 0.00 WAT +ATOM 29794 H2 TIP3 7828 -21.011 35.016 -11.309 1.00 0.00 WAT +ATOM 29795 OH2 TIP3 7829 -17.614 42.663 -12.252 1.00 0.00 WAT +ATOM 29796 H1 TIP3 7829 -18.419 43.201 -12.200 1.00 0.00 WAT +ATOM 29797 H2 TIP3 7829 -16.954 43.367 -12.329 1.00 0.00 WAT +ATOM 29798 OH2 TIP3 7830 -9.379 35.430 -15.828 1.00 0.00 WAT +ATOM 29799 H1 TIP3 7830 -9.876 34.883 -15.205 1.00 0.00 WAT +ATOM 29800 H2 TIP3 7830 -8.954 36.077 -15.238 1.00 0.00 WAT +ATOM 29801 OH2 TIP3 7831 -20.735 36.883 -14.084 1.00 0.00 WAT +ATOM 29802 H1 TIP3 7831 -20.086 37.456 -13.625 1.00 0.00 WAT +ATOM 29803 H2 TIP3 7831 -20.170 36.530 -14.810 1.00 0.00 WAT +ATOM 29804 OH2 TIP3 7832 -9.311 34.615 -11.984 1.00 0.00 WAT +ATOM 29805 H1 TIP3 7832 -10.091 35.001 -12.428 1.00 0.00 WAT +ATOM 29806 H2 TIP3 7832 -8.604 34.799 -12.630 1.00 0.00 WAT +ATOM 29807 OH2 TIP3 7833 -16.205 32.310 -14.913 1.00 0.00 WAT +ATOM 29808 H1 TIP3 7833 -16.458 31.372 -14.978 1.00 0.00 WAT +ATOM 29809 H2 TIP3 7833 -17.036 32.713 -14.580 1.00 0.00 WAT +ATOM 29810 OH2 TIP3 7834 -14.211 41.444 -20.184 1.00 0.00 WAT +ATOM 29811 H1 TIP3 7834 -14.865 41.760 -20.820 1.00 0.00 WAT +ATOM 29812 H2 TIP3 7834 -13.439 41.319 -20.765 1.00 0.00 WAT +ATOM 29813 OH2 TIP3 7835 -13.827 39.475 -23.050 1.00 0.00 WAT +ATOM 29814 H1 TIP3 7835 -13.090 39.794 -22.500 1.00 0.00 WAT +ATOM 29815 H2 TIP3 7835 -13.359 38.902 -23.672 1.00 0.00 WAT +ATOM 29816 OH2 TIP3 7836 -6.688 40.552 -11.963 1.00 0.00 WAT +ATOM 29817 H1 TIP3 7836 -7.355 41.262 -11.836 1.00 0.00 WAT +ATOM 29818 H2 TIP3 7836 -6.184 40.949 -12.704 1.00 0.00 WAT +ATOM 29819 OH2 TIP3 7837 -10.486 41.420 -19.186 1.00 0.00 WAT +ATOM 29820 H1 TIP3 7837 -11.165 41.624 -18.511 1.00 0.00 WAT +ATOM 29821 H2 TIP3 7837 -9.850 40.887 -18.675 1.00 0.00 WAT +ATOM 29822 OH2 TIP3 7838 -10.772 39.805 -10.261 1.00 0.00 WAT +ATOM 29823 H1 TIP3 7838 -10.746 40.583 -9.682 1.00 0.00 WAT +ATOM 29824 H2 TIP3 7838 -11.330 40.162 -10.977 1.00 0.00 WAT +ATOM 29825 OH2 TIP3 7839 -18.999 42.057 -17.246 1.00 0.00 WAT +ATOM 29826 H1 TIP3 7839 -19.197 41.790 -18.164 1.00 0.00 WAT +ATOM 29827 H2 TIP3 7839 -18.199 41.538 -17.057 1.00 0.00 WAT +ATOM 29828 OH2 TIP3 7840 -18.467 40.686 -13.843 1.00 0.00 WAT +ATOM 29829 H1 TIP3 7840 -17.884 40.716 -14.629 1.00 0.00 WAT +ATOM 29830 H2 TIP3 7840 -18.118 41.422 -13.297 1.00 0.00 WAT +ATOM 29831 OH2 TIP3 7841 -11.694 40.744 -21.549 1.00 0.00 WAT +ATOM 29832 H1 TIP3 7841 -11.120 41.011 -20.796 1.00 0.00 WAT +ATOM 29833 H2 TIP3 7841 -11.231 41.197 -22.300 1.00 0.00 WAT +ATOM 29834 OH2 TIP3 7842 -20.581 41.464 -9.979 1.00 0.00 WAT +ATOM 29835 H1 TIP3 7842 -20.469 42.107 -9.240 1.00 0.00 WAT +ATOM 29836 H2 TIP3 7842 -21.552 41.390 -10.000 1.00 0.00 WAT +ATOM 29837 OH2 TIP3 7843 -8.167 32.443 -22.092 1.00 0.00 WAT +ATOM 29838 H1 TIP3 7843 -9.080 32.533 -21.753 1.00 0.00 WAT +ATOM 29839 H2 TIP3 7843 -7.855 33.361 -22.051 1.00 0.00 WAT +ATOM 29840 OH2 TIP3 7844 -20.156 40.919 -19.703 1.00 0.00 WAT +ATOM 29841 H1 TIP3 7844 -20.269 41.668 -20.323 1.00 0.00 WAT +ATOM 29842 H2 TIP3 7844 -20.686 40.226 -20.114 1.00 0.00 WAT +ATOM 29843 OH2 TIP3 7845 -24.181 43.076 -10.960 1.00 0.00 WAT +ATOM 29844 H1 TIP3 7845 -24.119 42.933 -11.918 1.00 0.00 WAT +ATOM 29845 H2 TIP3 7845 -23.804 42.248 -10.604 1.00 0.00 WAT +ATOM 29846 OH2 TIP3 7846 -8.788 38.376 -7.928 1.00 0.00 WAT +ATOM 29847 H1 TIP3 7846 -9.298 38.757 -8.657 1.00 0.00 WAT +ATOM 29848 H2 TIP3 7846 -8.738 37.440 -8.200 1.00 0.00 WAT +ATOM 29849 OH2 TIP3 7847 -18.621 33.445 -13.985 1.00 0.00 WAT +ATOM 29850 H1 TIP3 7847 -19.394 33.424 -14.576 1.00 0.00 WAT +ATOM 29851 H2 TIP3 7847 -18.827 34.237 -13.466 1.00 0.00 WAT +ATOM 29852 OH2 TIP3 7848 -14.248 33.063 -10.385 1.00 0.00 WAT +ATOM 29853 H1 TIP3 7848 -13.725 32.537 -9.750 1.00 0.00 WAT +ATOM 29854 H2 TIP3 7848 -15.154 32.724 -10.264 1.00 0.00 WAT +ATOM 29855 OH2 TIP3 7849 -11.064 36.854 -9.846 1.00 0.00 WAT +ATOM 29856 H1 TIP3 7849 -11.701 36.706 -9.123 1.00 0.00 WAT +ATOM 29857 H2 TIP3 7849 -11.167 37.802 -10.044 1.00 0.00 WAT +ATOM 29858 OH2 TIP3 7850 -10.294 41.758 -23.611 1.00 0.00 WAT +ATOM 29859 H1 TIP3 7850 -10.368 41.587 -24.567 1.00 0.00 WAT +ATOM 29860 H2 TIP3 7850 -9.404 42.154 -23.553 1.00 0.00 WAT +ATOM 29861 OH2 TIP3 7851 -14.500 35.642 -23.091 1.00 0.00 WAT +ATOM 29862 H1 TIP3 7851 -14.972 35.561 -22.247 1.00 0.00 WAT +ATOM 29863 H2 TIP3 7851 -14.908 34.908 -23.589 1.00 0.00 WAT +ATOM 29864 OH2 TIP3 7852 -18.755 38.242 -12.591 1.00 0.00 WAT +ATOM 29865 H1 TIP3 7852 -19.371 38.389 -11.855 1.00 0.00 WAT +ATOM 29866 H2 TIP3 7852 -18.666 39.143 -12.976 1.00 0.00 WAT +ATOM 29867 OH2 TIP3 7853 -18.816 38.357 -17.734 1.00 0.00 WAT +ATOM 29868 H1 TIP3 7853 -19.763 38.251 -17.932 1.00 0.00 WAT +ATOM 29869 H2 TIP3 7853 -18.432 38.175 -18.622 1.00 0.00 WAT +ATOM 29870 OH2 TIP3 7854 -13.265 38.950 -18.936 1.00 0.00 WAT +ATOM 29871 H1 TIP3 7854 -13.756 39.679 -19.356 1.00 0.00 WAT +ATOM 29872 H2 TIP3 7854 -12.620 38.717 -19.625 1.00 0.00 WAT +ATOM 29873 OH2 TIP3 7855 -14.013 39.212 -7.520 1.00 0.00 WAT +ATOM 29874 H1 TIP3 7855 -14.515 38.432 -7.211 1.00 0.00 WAT +ATOM 29875 H2 TIP3 7855 -13.124 39.039 -7.156 1.00 0.00 WAT +ATOM 29876 OH2 TIP3 7856 -12.362 38.336 -16.219 1.00 0.00 WAT +ATOM 29877 H1 TIP3 7856 -12.684 38.853 -16.983 1.00 0.00 WAT +ATOM 29878 H2 TIP3 7856 -12.131 37.506 -16.688 1.00 0.00 WAT +ATOM 29879 OH2 TIP3 7857 -21.379 38.411 -10.830 1.00 0.00 WAT +ATOM 29880 H1 TIP3 7857 -21.154 38.795 -9.975 1.00 0.00 WAT +ATOM 29881 H2 TIP3 7857 -21.730 37.540 -10.574 1.00 0.00 WAT +ATOM 29882 OH2 TIP3 7858 -18.042 36.139 -24.219 1.00 0.00 WAT +ATOM 29883 H1 TIP3 7858 -18.337 35.732 -23.378 1.00 0.00 WAT +ATOM 29884 H2 TIP3 7858 -18.830 36.089 -24.770 1.00 0.00 WAT +ATOM 29885 OH2 TIP3 7859 -24.591 35.864 -17.137 1.00 0.00 WAT +ATOM 29886 H1 TIP3 7859 -23.971 35.899 -16.385 1.00 0.00 WAT +ATOM 29887 H2 TIP3 7859 -24.039 35.532 -17.860 1.00 0.00 WAT +ATOM 29888 OH2 TIP3 7860 -23.007 36.330 -21.423 1.00 0.00 WAT +ATOM 29889 H1 TIP3 7860 -22.430 36.791 -22.067 1.00 0.00 WAT +ATOM 29890 H2 TIP3 7860 -23.690 37.005 -21.271 1.00 0.00 WAT +ATOM 29891 OH2 TIP3 7861 -13.384 39.966 -11.751 1.00 0.00 WAT +ATOM 29892 H1 TIP3 7861 -12.850 39.306 -12.246 1.00 0.00 WAT +ATOM 29893 H2 TIP3 7861 -13.661 39.445 -10.984 1.00 0.00 WAT +ATOM 29894 OH2 TIP3 7862 -16.023 35.926 -16.698 1.00 0.00 WAT +ATOM 29895 H1 TIP3 7862 -16.974 35.853 -16.521 1.00 0.00 WAT +ATOM 29896 H2 TIP3 7862 -15.640 35.734 -15.829 1.00 0.00 WAT +ATOM 29897 OH2 TIP3 7863 -21.524 37.135 -18.009 1.00 0.00 WAT +ATOM 29898 H1 TIP3 7863 -22.282 37.424 -18.544 1.00 0.00 WAT +ATOM 29899 H2 TIP3 7863 -21.164 36.379 -18.511 1.00 0.00 WAT +ATOM 29900 OH2 TIP3 7864 -17.849 37.659 -20.268 1.00 0.00 WAT +ATOM 29901 H1 TIP3 7864 -16.901 37.416 -20.294 1.00 0.00 WAT +ATOM 29902 H2 TIP3 7864 -17.986 38.140 -21.097 1.00 0.00 WAT +ATOM 29903 OH2 TIP3 7865 -11.631 35.076 -13.683 1.00 0.00 WAT +ATOM 29904 H1 TIP3 7865 -12.290 35.097 -12.956 1.00 0.00 WAT +ATOM 29905 H2 TIP3 7865 -12.198 34.714 -14.390 1.00 0.00 WAT +ATOM 29906 OH2 TIP3 7866 -19.446 38.813 -22.593 1.00 0.00 WAT +ATOM 29907 H1 TIP3 7866 -19.961 38.399 -23.300 1.00 0.00 WAT +ATOM 29908 H2 TIP3 7866 -18.597 38.961 -23.044 1.00 0.00 WAT +ATOM 29909 OH2 TIP3 7867 -20.472 43.159 -7.919 1.00 0.00 WAT +ATOM 29910 H1 TIP3 7867 -19.905 43.646 -7.286 1.00 0.00 WAT +ATOM 29911 H2 TIP3 7867 -21.279 43.046 -7.372 1.00 0.00 WAT +ATOM 29912 OH2 TIP3 7868 -15.030 38.511 -14.859 1.00 0.00 WAT +ATOM 29913 H1 TIP3 7868 -14.359 38.055 -15.390 1.00 0.00 WAT +ATOM 29914 H2 TIP3 7868 -15.169 37.879 -14.128 1.00 0.00 WAT +ATOM 29915 OH2 TIP3 7869 -19.710 34.914 -18.756 1.00 0.00 WAT +ATOM 29916 H1 TIP3 7869 -20.172 34.078 -18.606 1.00 0.00 WAT +ATOM 29917 H2 TIP3 7869 -18.874 34.604 -19.149 1.00 0.00 WAT +ATOM 29918 OH2 TIP3 7870 -16.078 36.919 -12.634 1.00 0.00 WAT +ATOM 29919 H1 TIP3 7870 -16.838 37.525 -12.648 1.00 0.00 WAT +ATOM 29920 H2 TIP3 7870 -15.572 37.214 -11.853 1.00 0.00 WAT +ATOM 29921 OH2 TIP3 7871 -16.365 43.652 -20.498 1.00 0.00 WAT +ATOM 29922 H1 TIP3 7871 -16.737 42.998 -21.119 1.00 0.00 WAT +ATOM 29923 H2 TIP3 7871 -15.820 43.142 -19.894 1.00 0.00 WAT +ATOM 29924 OH2 TIP3 7872 -8.439 42.659 -12.078 1.00 0.00 WAT +ATOM 29925 H1 TIP3 7872 -8.206 43.118 -12.907 1.00 0.00 WAT +ATOM 29926 H2 TIP3 7872 -9.395 42.556 -12.245 1.00 0.00 WAT +ATOM 29927 OH2 TIP3 7873 -11.807 36.236 -23.060 1.00 0.00 WAT +ATOM 29928 H1 TIP3 7873 -12.786 36.128 -23.023 1.00 0.00 WAT +ATOM 29929 H2 TIP3 7873 -11.627 36.869 -22.337 1.00 0.00 WAT +ATOM 29930 OH2 TIP3 7874 -11.108 37.976 -20.895 1.00 0.00 WAT +ATOM 29931 H1 TIP3 7874 -10.227 37.809 -20.507 1.00 0.00 WAT +ATOM 29932 H2 TIP3 7874 -10.989 38.843 -21.319 1.00 0.00 WAT +ATOM 29933 OH2 TIP3 7875 -20.514 42.484 -15.046 1.00 0.00 WAT +ATOM 29934 H1 TIP3 7875 -19.914 42.400 -15.821 1.00 0.00 WAT +ATOM 29935 H2 TIP3 7875 -20.384 41.624 -14.618 1.00 0.00 WAT +ATOM 29936 OH2 TIP3 7876 -23.437 40.793 -9.702 1.00 0.00 WAT +ATOM 29937 H1 TIP3 7876 -23.358 40.423 -8.802 1.00 0.00 WAT +ATOM 29938 H2 TIP3 7876 -24.195 40.313 -10.074 1.00 0.00 WAT +ATOM 29939 OH2 TIP3 7877 -16.565 40.483 -7.654 1.00 0.00 WAT +ATOM 29940 H1 TIP3 7877 -16.902 40.283 -8.543 1.00 0.00 WAT +ATOM 29941 H2 TIP3 7877 -15.618 40.277 -7.760 1.00 0.00 WAT +ATOM 29942 OH2 TIP3 7878 -6.493 37.967 -21.191 1.00 0.00 WAT +ATOM 29943 H1 TIP3 7878 -7.053 37.786 -21.973 1.00 0.00 WAT +ATOM 29944 H2 TIP3 7878 -6.368 38.926 -21.323 1.00 0.00 WAT +ATOM 29945 OH2 TIP3 7879 -11.033 41.807 -13.401 1.00 0.00 WAT +ATOM 29946 H1 TIP3 7879 -11.948 41.818 -13.727 1.00 0.00 WAT +ATOM 29947 H2 TIP3 7879 -10.561 41.340 -14.106 1.00 0.00 WAT +ATOM 29948 OH2 TIP3 7880 -22.495 40.957 -23.151 1.00 0.00 WAT +ATOM 29949 H1 TIP3 7880 -21.880 41.530 -22.666 1.00 0.00 WAT +ATOM 29950 H2 TIP3 7880 -23.334 41.134 -22.679 1.00 0.00 WAT +ATOM 29951 OH2 TIP3 7881 -22.224 35.658 -10.014 1.00 0.00 WAT +ATOM 29952 H1 TIP3 7881 -23.125 35.904 -10.302 1.00 0.00 WAT +ATOM 29953 H2 TIP3 7881 -22.369 34.771 -9.641 1.00 0.00 WAT +ATOM 29954 OH2 TIP3 7882 -20.720 -43.870 -21.311 1.00 0.00 WAT +ATOM 29955 H1 TIP3 7882 -21.618 -43.522 -21.141 1.00 0.00 WAT +ATOM 29956 H2 TIP3 7882 -20.248 -43.054 -21.530 1.00 0.00 WAT +ATOM 29957 OH2 TIP3 7883 -13.240 35.505 -11.488 1.00 0.00 WAT +ATOM 29958 H1 TIP3 7883 -12.625 35.750 -10.783 1.00 0.00 WAT +ATOM 29959 H2 TIP3 7883 -13.740 34.763 -11.095 1.00 0.00 WAT +ATOM 29960 OH2 TIP3 7884 -12.371 34.854 -20.299 1.00 0.00 WAT +ATOM 29961 H1 TIP3 7884 -12.499 35.509 -20.995 1.00 0.00 WAT +ATOM 29962 H2 TIP3 7884 -12.288 35.398 -19.501 1.00 0.00 WAT +ATOM 29963 OH2 TIP3 7885 -15.215 36.907 -19.494 1.00 0.00 WAT +ATOM 29964 H1 TIP3 7885 -14.446 37.426 -19.213 1.00 0.00 WAT +ATOM 29965 H2 TIP3 7885 -15.519 36.517 -18.659 1.00 0.00 WAT +ATOM 29966 OH2 TIP3 7886 -14.812 37.911 -10.112 1.00 0.00 WAT +ATOM 29967 H1 TIP3 7886 -14.746 38.405 -9.279 1.00 0.00 WAT +ATOM 29968 H2 TIP3 7886 -14.309 37.111 -9.910 1.00 0.00 WAT +ATOM 29969 OH2 TIP3 7887 -14.053 33.949 -17.895 1.00 0.00 WAT +ATOM 29970 H1 TIP3 7887 -14.856 34.481 -17.802 1.00 0.00 WAT +ATOM 29971 H2 TIP3 7887 -13.959 33.936 -18.863 1.00 0.00 WAT +ATOM 29972 OH2 TIP3 7888 -18.857 35.020 -21.859 1.00 0.00 WAT +ATOM 29973 H1 TIP3 7888 -18.786 35.729 -21.201 1.00 0.00 WAT +ATOM 29974 H2 TIP3 7888 -18.132 34.425 -21.533 1.00 0.00 WAT +ATOM 29975 OH2 TIP3 7889 -8.548 35.832 -9.249 1.00 0.00 WAT +ATOM 29976 H1 TIP3 7889 -9.507 35.978 -9.387 1.00 0.00 WAT +ATOM 29977 H2 TIP3 7889 -8.306 35.625 -10.163 1.00 0.00 WAT +ATOM 29978 OH2 TIP3 7890 -10.011 39.668 -15.298 1.00 0.00 WAT +ATOM 29979 H1 TIP3 7890 -10.865 39.247 -15.507 1.00 0.00 WAT +ATOM 29980 H2 TIP3 7890 -9.567 38.978 -14.764 1.00 0.00 WAT +ATOM 29981 OH2 TIP3 7891 -22.357 37.994 -23.605 1.00 0.00 WAT +ATOM 29982 H1 TIP3 7891 -22.184 38.936 -23.444 1.00 0.00 WAT +ATOM 29983 H2 TIP3 7891 -23.200 38.017 -24.071 1.00 0.00 WAT +ATOM 29984 OH2 TIP3 7892 -21.431 33.049 -14.836 1.00 0.00 WAT +ATOM 29985 H1 TIP3 7892 -21.574 33.042 -15.808 1.00 0.00 WAT +ATOM 29986 H2 TIP3 7892 -21.763 32.176 -14.567 1.00 0.00 WAT +ATOM 29987 OH2 TIP3 7893 -22.917 43.063 -6.789 1.00 0.00 WAT +ATOM 29988 H1 TIP3 7893 -23.145 42.117 -6.776 1.00 0.00 WAT +ATOM 29989 H2 TIP3 7893 -23.724 43.508 -7.066 1.00 0.00 WAT +ATOM 29990 OH2 TIP3 7894 -17.020 43.285 -7.265 1.00 0.00 WAT +ATOM 29991 H1 TIP3 7894 -17.005 43.465 -8.227 1.00 0.00 WAT +ATOM 29992 H2 TIP3 7894 -16.663 42.376 -7.232 1.00 0.00 WAT +ATOM 29993 OH2 TIP3 7895 -10.988 -43.758 -9.519 1.00 0.00 WAT +ATOM 29994 H1 TIP3 7895 -10.204 -43.303 -9.859 1.00 0.00 WAT +ATOM 29995 H2 TIP3 7895 -11.681 -43.118 -9.724 1.00 0.00 WAT +ATOM 29996 OH2 TIP3 7896 -22.346 40.227 -7.070 1.00 0.00 WAT +ATOM 29997 H1 TIP3 7896 -21.556 39.664 -7.141 1.00 0.00 WAT +ATOM 29998 H2 TIP3 7896 -22.325 40.455 -6.123 1.00 0.00 WAT +ATOM 29999 OH2 TIP3 7897 -17.767 41.615 -21.986 1.00 0.00 WAT +ATOM 30000 H1 TIP3 7897 -18.404 41.166 -21.418 1.00 0.00 WAT +ATOM 30001 H2 TIP3 7897 -17.601 40.939 -22.673 1.00 0.00 WAT +ATOM 30002 OH2 TIP3 7898 -18.615 39.333 -9.664 1.00 0.00 WAT +ATOM 30003 H1 TIP3 7898 -19.184 40.111 -9.514 1.00 0.00 WAT +ATOM 30004 H2 TIP3 7898 -17.985 39.681 -10.319 1.00 0.00 WAT +ATOM 30005 OH2 TIP3 7899 -16.926 39.590 -23.720 1.00 0.00 WAT +ATOM 30006 H1 TIP3 7899 -16.950 39.700 -24.688 1.00 0.00 WAT +ATOM 30007 H2 TIP3 7899 -15.966 39.551 -23.555 1.00 0.00 WAT +ATOM 30008 OH2 TIP3 7900 -13.322 42.151 -6.101 1.00 0.00 WAT +ATOM 30009 H1 TIP3 7900 -12.460 41.969 -6.491 1.00 0.00 WAT +ATOM 30010 H2 TIP3 7900 -13.662 41.274 -5.910 1.00 0.00 WAT +ATOM 30011 OH2 TIP3 7901 -7.604 41.894 -24.508 1.00 0.00 WAT +ATOM 30012 H1 TIP3 7901 -7.740 41.839 -25.468 1.00 0.00 WAT +ATOM 30013 H2 TIP3 7901 -7.609 42.855 -24.325 1.00 0.00 WAT +ATOM 30014 OH2 TIP3 7902 -18.046 36.629 -8.563 1.00 0.00 WAT +ATOM 30015 H1 TIP3 7902 -17.975 35.980 -9.286 1.00 0.00 WAT +ATOM 30016 H2 TIP3 7902 -18.244 37.446 -9.054 1.00 0.00 WAT +ATOM 30017 OH2 TIP3 7903 -17.709 35.096 -11.116 1.00 0.00 WAT +ATOM 30018 H1 TIP3 7903 -17.182 35.630 -11.744 1.00 0.00 WAT +ATOM 30019 H2 TIP3 7903 -18.614 35.149 -11.484 1.00 0.00 WAT +ATOM 30020 OH2 TIP3 7904 -16.209 40.668 -10.795 1.00 0.00 WAT +ATOM 30021 H1 TIP3 7904 -15.370 40.552 -11.272 1.00 0.00 WAT +ATOM 30022 H2 TIP3 7904 -16.565 41.476 -11.203 1.00 0.00 WAT +ATOM 30023 OH2 TIP3 7905 -11.571 38.488 -5.926 1.00 0.00 WAT +ATOM 30024 H1 TIP3 7905 -11.360 37.549 -5.813 1.00 0.00 WAT +ATOM 30025 H2 TIP3 7905 -10.685 38.878 -5.980 1.00 0.00 WAT +ATOM 30026 OH2 TIP3 7906 -10.626 41.369 -7.571 1.00 0.00 WAT +ATOM 30027 H1 TIP3 7906 -10.858 42.086 -8.205 1.00 0.00 WAT +ATOM 30028 H2 TIP3 7906 -9.724 41.165 -7.870 1.00 0.00 WAT +ATOM 30029 OH2 TIP3 7907 -19.894 38.504 -6.749 1.00 0.00 WAT +ATOM 30030 H1 TIP3 7907 -20.387 37.663 -6.781 1.00 0.00 WAT +ATOM 30031 H2 TIP3 7907 -19.072 38.265 -7.207 1.00 0.00 WAT +ATOM 30032 OH2 TIP3 7908 -17.005 32.430 -10.741 1.00 0.00 WAT +ATOM 30033 H1 TIP3 7908 -17.149 33.385 -10.920 1.00 0.00 WAT +ATOM 30034 H2 TIP3 7908 -17.693 32.032 -11.306 1.00 0.00 WAT +ATOM 30035 OH2 TIP3 7909 -15.713 36.998 -6.979 1.00 0.00 WAT +ATOM 30036 H1 TIP3 7909 -16.070 36.801 -6.095 1.00 0.00 WAT +ATOM 30037 H2 TIP3 7909 -16.512 36.816 -7.518 1.00 0.00 WAT +ATOM 30038 OH2 TIP3 7910 -13.188 36.065 -8.103 1.00 0.00 WAT +ATOM 30039 H1 TIP3 7910 -14.072 36.124 -7.693 1.00 0.00 WAT +ATOM 30040 H2 TIP3 7910 -12.739 35.427 -7.518 1.00 0.00 WAT +ATOM 30041 OH2 TIP3 7911 -11.328 34.525 -6.366 1.00 0.00 WAT +ATOM 30042 H1 TIP3 7911 -11.519 33.581 -6.208 1.00 0.00 WAT +ATOM 30043 H2 TIP3 7911 -11.531 34.942 -5.509 1.00 0.00 WAT +ATOM 30044 OH2 TIP3 7912 -21.165 35.943 -6.919 1.00 0.00 WAT +ATOM 30045 H1 TIP3 7912 -21.248 35.258 -7.601 1.00 0.00 WAT +ATOM 30046 H2 TIP3 7912 -21.406 35.454 -6.111 1.00 0.00 WAT +ATOM 30047 OH2 TIP3 7913 -17.174 31.907 -7.940 1.00 0.00 WAT +ATOM 30048 H1 TIP3 7913 -16.541 31.174 -7.890 1.00 0.00 WAT +ATOM 30049 H2 TIP3 7913 -17.187 32.078 -8.904 1.00 0.00 WAT +ATOM 30050 OH2 TIP3 7914 -16.233 33.771 -6.061 1.00 0.00 WAT +ATOM 30051 H1 TIP3 7914 -16.527 33.190 -6.790 1.00 0.00 WAT +ATOM 30052 H2 TIP3 7914 -16.902 34.472 -6.063 1.00 0.00 WAT +ATOM 30053 OH2 TIP3 7915 -6.819 43.610 -20.124 1.00 0.00 WAT +ATOM 30054 H1 TIP3 7915 -5.862 43.603 -20.248 1.00 0.00 WAT +ATOM 30055 H2 TIP3 7915 -6.994 42.791 -19.635 1.00 0.00 WAT +ATOM 30056 OH2 TIP3 7916 -6.452 41.317 -18.477 1.00 0.00 WAT +ATOM 30057 H1 TIP3 7916 -7.233 40.883 -18.077 1.00 0.00 WAT +ATOM 30058 H2 TIP3 7916 -5.895 41.519 -17.704 1.00 0.00 WAT +ATOM 30059 OH2 TIP3 7917 -6.260 40.941 -21.953 1.00 0.00 WAT +ATOM 30060 H1 TIP3 7917 -6.896 41.157 -22.661 1.00 0.00 WAT +ATOM 30061 H2 TIP3 7917 -6.417 41.666 -21.335 1.00 0.00 WAT +ATOM 30062 OH2 TIP3 7918 -7.978 38.422 -23.612 1.00 0.00 WAT +ATOM 30063 H1 TIP3 7918 -7.809 39.061 -24.318 1.00 0.00 WAT +ATOM 30064 H2 TIP3 7918 -8.244 37.621 -24.105 1.00 0.00 WAT +ATOM 30065 OH2 TIP3 7919 -8.699 39.654 -17.719 1.00 0.00 WAT +ATOM 30066 H1 TIP3 7919 -8.753 38.696 -17.868 1.00 0.00 WAT +ATOM 30067 H2 TIP3 7919 -9.077 39.733 -16.815 1.00 0.00 WAT +ATOM 30068 OH2 TIP3 7920 -23.852 41.873 -13.743 1.00 0.00 WAT +ATOM 30069 H1 TIP3 7920 -23.755 42.032 -14.694 1.00 0.00 WAT +ATOM 30070 H2 TIP3 7920 -22.944 41.604 -13.489 1.00 0.00 WAT +ATOM 30071 OH2 TIP3 7921 -7.841 41.588 -8.562 1.00 0.00 WAT +ATOM 30072 H1 TIP3 7921 -7.122 41.014 -8.230 1.00 0.00 WAT +ATOM 30073 H2 TIP3 7921 -7.420 42.449 -8.742 1.00 0.00 WAT +ATOM 30074 OH2 TIP3 7922 -6.444 39.656 -7.321 1.00 0.00 WAT +ATOM 30075 H1 TIP3 7922 -7.248 39.129 -7.518 1.00 0.00 WAT +ATOM 30076 H2 TIP3 7922 -5.755 38.968 -7.301 1.00 0.00 WAT +ATOM 30077 OH2 TIP3 7923 -8.537 35.774 -24.440 1.00 0.00 WAT +ATOM 30078 H1 TIP3 7923 -8.002 35.281 -23.794 1.00 0.00 WAT +ATOM 30079 H2 TIP3 7923 -9.365 35.270 -24.491 1.00 0.00 WAT +ATOM 30080 OH2 TIP3 7924 -8.719 37.064 -19.456 1.00 0.00 WAT +ATOM 30081 H1 TIP3 7924 -8.492 36.111 -19.417 1.00 0.00 WAT +ATOM 30082 H2 TIP3 7924 -7.917 37.418 -19.878 1.00 0.00 WAT +ATOM 30083 OH2 TIP3 7925 -8.505 37.637 -14.028 1.00 0.00 WAT +ATOM 30084 H1 TIP3 7925 -7.542 37.804 -14.045 1.00 0.00 WAT +ATOM 30085 H2 TIP3 7925 -8.676 37.717 -13.074 1.00 0.00 WAT +ATOM 30086 OH2 TIP3 7926 -8.332 38.371 -11.211 1.00 0.00 WAT +ATOM 30087 H1 TIP3 7926 -9.199 38.741 -10.963 1.00 0.00 WAT +ATOM 30088 H2 TIP3 7926 -7.833 39.181 -11.442 1.00 0.00 WAT +ATOM 30089 OH2 TIP3 7927 -23.867 37.158 -7.519 1.00 0.00 WAT +ATOM 30090 H1 TIP3 7927 -22.928 36.904 -7.523 1.00 0.00 WAT +ATOM 30091 H2 TIP3 7927 -24.303 36.290 -7.462 1.00 0.00 WAT +ATOM 30092 OH2 TIP3 7928 -5.781 32.536 -5.926 1.00 0.00 WAT +ATOM 30093 H1 TIP3 7928 -5.374 31.839 -6.473 1.00 0.00 WAT +ATOM 30094 H2 TIP3 7928 -5.753 33.309 -6.522 1.00 0.00 WAT +ATOM 30095 OH2 TIP3 7929 -8.241 34.260 -19.490 1.00 0.00 WAT +ATOM 30096 H1 TIP3 7929 -8.227 33.964 -18.566 1.00 0.00 WAT +ATOM 30097 H2 TIP3 7929 -9.038 33.790 -19.821 1.00 0.00 WAT +ATOM 30098 OH2 TIP3 7930 -23.088 35.467 -14.715 1.00 0.00 WAT +ATOM 30099 H1 TIP3 7930 -22.608 34.620 -14.675 1.00 0.00 WAT +ATOM 30100 H2 TIP3 7930 -22.396 36.079 -14.402 1.00 0.00 WAT +ATOM 30101 OH2 TIP3 7931 -24.542 38.147 -13.674 1.00 0.00 WAT +ATOM 30102 H1 TIP3 7931 -23.943 38.116 -14.439 1.00 0.00 WAT +ATOM 30103 H2 TIP3 7931 -24.216 38.935 -13.219 1.00 0.00 WAT +ATOM 30104 OH2 TIP3 7932 -6.399 34.579 -7.691 1.00 0.00 WAT +ATOM 30105 H1 TIP3 7932 -7.274 35.004 -7.616 1.00 0.00 WAT +ATOM 30106 H2 TIP3 7932 -6.549 34.029 -8.481 1.00 0.00 WAT +ATOM 30107 OH2 TIP3 7933 -6.298 34.745 -22.800 1.00 0.00 WAT +ATOM 30108 H1 TIP3 7933 -5.995 33.956 -23.282 1.00 0.00 WAT +ATOM 30109 H2 TIP3 7933 -5.492 35.285 -22.763 1.00 0.00 WAT +ATOM 30110 OH2 TIP3 7934 -24.037 34.433 -19.672 1.00 0.00 WAT +ATOM 30111 H1 TIP3 7934 -24.986 34.537 -19.854 1.00 0.00 WAT +ATOM 30112 H2 TIP3 7934 -23.623 35.077 -20.281 1.00 0.00 WAT +ATOM 30113 OH2 TIP3 7935 -24.004 33.355 -11.490 1.00 0.00 WAT +ATOM 30114 H1 TIP3 7935 -24.719 33.118 -10.885 1.00 0.00 WAT +ATOM 30115 H2 TIP3 7935 -24.480 33.904 -12.140 1.00 0.00 WAT +ATOM 30116 OH2 TIP3 7936 -7.519 32.811 -9.704 1.00 0.00 WAT +ATOM 30117 H1 TIP3 7936 -8.328 33.028 -10.200 1.00 0.00 WAT +ATOM 30118 H2 TIP3 7936 -7.328 31.909 -10.035 1.00 0.00 WAT +ATOM 30119 OH2 TIP3 7937 -14.081 34.238 -15.047 1.00 0.00 WAT +ATOM 30120 H1 TIP3 7937 -14.822 33.606 -15.012 1.00 0.00 WAT +ATOM 30121 H2 TIP3 7937 -13.739 34.067 -15.944 1.00 0.00 WAT +ATOM 30122 OH2 TIP3 7938 -9.135 32.302 -14.765 1.00 0.00 WAT +ATOM 30123 H1 TIP3 7938 -8.423 32.794 -15.208 1.00 0.00 WAT +ATOM 30124 H2 TIP3 7938 -9.919 32.560 -15.298 1.00 0.00 WAT +ATOM 30125 OH2 TIP3 7939 -7.035 33.405 -16.832 1.00 0.00 WAT +ATOM 30126 H1 TIP3 7939 -6.363 33.044 -17.435 1.00 0.00 WAT +ATOM 30127 H2 TIP3 7939 -6.794 34.350 -16.794 1.00 0.00 WAT +ATOM 30128 OH2 TIP3 7940 -21.806 32.988 -17.596 1.00 0.00 WAT +ATOM 30129 H1 TIP3 7940 -22.623 32.871 -18.118 1.00 0.00 WAT +ATOM 30130 H2 TIP3 7940 -21.300 32.197 -17.843 1.00 0.00 WAT +ATOM 30131 OH2 TIP3 7941 -22.944 32.509 -21.810 1.00 0.00 WAT +ATOM 30132 H1 TIP3 7941 -22.403 33.164 -22.293 1.00 0.00 WAT +ATOM 30133 H2 TIP3 7941 -23.340 33.056 -21.112 1.00 0.00 WAT +ATOM 30134 OH2 TIP3 7942 -17.502 32.799 -17.533 1.00 0.00 WAT +ATOM 30135 H1 TIP3 7942 -16.890 33.099 -18.243 1.00 0.00 WAT +ATOM 30136 H2 TIP3 7942 -16.939 32.722 -16.755 1.00 0.00 WAT +ATOM 30137 OH2 TIP3 7943 -11.457 32.786 -16.295 1.00 0.00 WAT +ATOM 30138 H1 TIP3 7943 -11.589 32.928 -17.242 1.00 0.00 WAT +ATOM 30139 H2 TIP3 7943 -12.110 32.089 -16.117 1.00 0.00 WAT +ATOM 30140 OH2 TIP3 7944 -10.514 32.861 -20.407 1.00 0.00 WAT +ATOM 30141 H1 TIP3 7944 -11.292 33.466 -20.466 1.00 0.00 WAT +ATOM 30142 H2 TIP3 7944 -10.964 32.007 -20.300 1.00 0.00 WAT +ATOM 30143 OH2 TIP3 7945 -21.182 34.309 -23.309 1.00 0.00 WAT +ATOM 30144 H1 TIP3 7945 -20.574 33.787 -23.860 1.00 0.00 WAT +ATOM 30145 H2 TIP3 7945 -20.558 34.665 -22.641 1.00 0.00 WAT +ATOM 30146 OH2 TIP3 7946 -21.966 33.225 -8.169 1.00 0.00 WAT +ATOM 30147 H1 TIP3 7946 -22.352 32.418 -7.786 1.00 0.00 WAT +ATOM 30148 H2 TIP3 7946 -21.041 33.136 -7.888 1.00 0.00 WAT +ATOM 30149 OH2 TIP3 7947 -19.587 32.637 -6.415 1.00 0.00 WAT +ATOM 30150 H1 TIP3 7947 -18.756 32.309 -6.815 1.00 0.00 WAT +ATOM 30151 H2 TIP3 7947 -19.913 31.831 -5.985 1.00 0.00 WAT +ATOM 30152 OH2 TIP3 7948 -11.443 31.702 -6.275 1.00 0.00 WAT +ATOM 30153 H1 TIP3 7948 -11.426 31.345 -5.366 1.00 0.00 WAT +ATOM 30154 H2 TIP3 7948 -10.494 31.733 -6.496 1.00 0.00 WAT +ATOM 30155 OH2 TIP3 7949 6.111 41.996 -17.645 1.00 0.00 WAT +ATOM 30156 H1 TIP3 7949 5.843 42.911 -17.480 1.00 0.00 WAT +ATOM 30157 H2 TIP3 7949 5.367 41.695 -18.191 1.00 0.00 WAT +ATOM 30158 OH2 TIP3 7950 5.000 41.300 -14.335 1.00 0.00 WAT +ATOM 30159 H1 TIP3 7950 4.973 40.830 -13.484 1.00 0.00 WAT +ATOM 30160 H2 TIP3 7950 4.633 40.652 -14.946 1.00 0.00 WAT +ATOM 30161 OH2 TIP3 7951 -2.604 40.812 -12.727 1.00 0.00 WAT +ATOM 30162 H1 TIP3 7951 -2.639 40.075 -12.091 1.00 0.00 WAT +ATOM 30163 H2 TIP3 7951 -1.905 41.351 -12.335 1.00 0.00 WAT +ATOM 30164 OH2 TIP3 7952 -4.910 38.865 -18.795 1.00 0.00 WAT +ATOM 30165 H1 TIP3 7952 -5.365 39.723 -18.713 1.00 0.00 WAT +ATOM 30166 H2 TIP3 7952 -5.613 38.316 -19.164 1.00 0.00 WAT +ATOM 30167 OH2 TIP3 7953 -3.971 41.368 -16.913 1.00 0.00 WAT +ATOM 30168 H1 TIP3 7953 -3.994 40.564 -16.359 1.00 0.00 WAT +ATOM 30169 H2 TIP3 7953 -3.182 41.186 -17.436 1.00 0.00 WAT +ATOM 30170 OH2 TIP3 7954 12.119 35.232 -13.160 1.00 0.00 WAT +ATOM 30171 H1 TIP3 7954 12.338 35.822 -12.419 1.00 0.00 WAT +ATOM 30172 H2 TIP3 7954 12.758 35.540 -13.830 1.00 0.00 WAT +ATOM 30173 OH2 TIP3 7955 6.797 38.049 -13.300 1.00 0.00 WAT +ATOM 30174 H1 TIP3 7955 6.919 37.089 -13.216 1.00 0.00 WAT +ATOM 30175 H2 TIP3 7955 6.624 38.143 -14.246 1.00 0.00 WAT +ATOM 30176 OH2 TIP3 7956 -0.260 36.051 -16.196 1.00 0.00 WAT +ATOM 30177 H1 TIP3 7956 -0.154 36.913 -16.646 1.00 0.00 WAT +ATOM 30178 H2 TIP3 7956 -0.625 35.527 -16.938 1.00 0.00 WAT +ATOM 30179 OH2 TIP3 7957 -3.607 38.787 -15.684 1.00 0.00 WAT +ATOM 30180 H1 TIP3 7957 -2.982 38.316 -15.111 1.00 0.00 WAT +ATOM 30181 H2 TIP3 7957 -3.518 38.291 -16.518 1.00 0.00 WAT +ATOM 30182 OH2 TIP3 7958 1.852 40.174 -16.217 1.00 0.00 WAT +ATOM 30183 H1 TIP3 7958 2.503 39.575 -15.806 1.00 0.00 WAT +ATOM 30184 H2 TIP3 7958 1.268 39.546 -16.683 1.00 0.00 WAT +ATOM 30185 OH2 TIP3 7959 12.837 36.595 -10.661 1.00 0.00 WAT +ATOM 30186 H1 TIP3 7959 12.249 37.320 -10.944 1.00 0.00 WAT +ATOM 30187 H2 TIP3 7959 12.639 36.568 -9.715 1.00 0.00 WAT +ATOM 30188 OH2 TIP3 7960 -1.495 34.827 -12.035 1.00 0.00 WAT +ATOM 30189 H1 TIP3 7960 -1.874 35.380 -12.736 1.00 0.00 WAT +ATOM 30190 H2 TIP3 7960 -2.142 34.981 -11.316 1.00 0.00 WAT +ATOM 30191 OH2 TIP3 7961 1.237 42.663 -12.277 1.00 0.00 WAT +ATOM 30192 H1 TIP3 7961 0.428 43.186 -12.172 1.00 0.00 WAT +ATOM 30193 H2 TIP3 7961 1.891 43.376 -12.288 1.00 0.00 WAT +ATOM 30194 OH2 TIP3 7962 9.249 35.701 -16.153 1.00 0.00 WAT +ATOM 30195 H1 TIP3 7962 8.876 34.966 -15.643 1.00 0.00 WAT +ATOM 30196 H2 TIP3 7962 9.753 36.158 -15.456 1.00 0.00 WAT +ATOM 30197 OH2 TIP3 7963 -1.873 36.868 -14.079 1.00 0.00 WAT +ATOM 30198 H1 TIP3 7963 -1.252 37.463 -13.608 1.00 0.00 WAT +ATOM 30199 H2 TIP3 7963 -1.291 36.536 -14.797 1.00 0.00 WAT +ATOM 30200 OH2 TIP3 7964 9.530 34.618 -12.000 1.00 0.00 WAT +ATOM 30201 H1 TIP3 7964 8.757 35.012 -12.445 1.00 0.00 WAT +ATOM 30202 H2 TIP3 7964 10.247 34.797 -12.636 1.00 0.00 WAT +ATOM 30203 OH2 TIP3 7965 2.483 32.139 -15.082 1.00 0.00 WAT +ATOM 30204 H1 TIP3 7965 2.515 31.240 -14.732 1.00 0.00 WAT +ATOM 30205 H2 TIP3 7965 1.743 32.548 -14.584 1.00 0.00 WAT +ATOM 30206 OH2 TIP3 7966 4.802 41.337 -20.241 1.00 0.00 WAT +ATOM 30207 H1 TIP3 7966 4.139 41.971 -20.593 1.00 0.00 WAT +ATOM 30208 H2 TIP3 7966 5.420 41.310 -20.982 1.00 0.00 WAT +ATOM 30209 OH2 TIP3 7967 5.064 39.422 -22.993 1.00 0.00 WAT +ATOM 30210 H1 TIP3 7967 5.848 39.689 -22.481 1.00 0.00 WAT +ATOM 30211 H2 TIP3 7967 5.477 38.987 -23.748 1.00 0.00 WAT +ATOM 30212 OH2 TIP3 7968 12.163 40.539 -11.972 1.00 0.00 WAT +ATOM 30213 H1 TIP3 7968 11.515 41.263 -11.822 1.00 0.00 WAT +ATOM 30214 H2 TIP3 7968 12.681 40.951 -12.694 1.00 0.00 WAT +ATOM 30215 OH2 TIP3 7969 8.281 41.373 -19.238 1.00 0.00 WAT +ATOM 30216 H1 TIP3 7969 7.638 41.682 -18.564 1.00 0.00 WAT +ATOM 30217 H2 TIP3 7969 8.951 40.942 -18.705 1.00 0.00 WAT +ATOM 30218 OH2 TIP3 7970 8.076 39.802 -10.265 1.00 0.00 WAT +ATOM 30219 H1 TIP3 7970 8.120 40.557 -9.655 1.00 0.00 WAT +ATOM 30220 H2 TIP3 7970 7.544 40.206 -10.974 1.00 0.00 WAT +ATOM 30221 OH2 TIP3 7971 -0.199 41.986 -17.234 1.00 0.00 WAT +ATOM 30222 H1 TIP3 7971 -0.344 41.782 -18.175 1.00 0.00 WAT +ATOM 30223 H2 TIP3 7971 0.664 41.573 -17.071 1.00 0.00 WAT +ATOM 30224 OH2 TIP3 7972 0.439 40.660 -13.857 1.00 0.00 WAT +ATOM 30225 H1 TIP3 7972 1.004 40.769 -14.646 1.00 0.00 WAT +ATOM 30226 H2 TIP3 7972 0.723 41.413 -13.296 1.00 0.00 WAT +ATOM 30227 OH2 TIP3 7973 7.376 40.131 -21.477 1.00 0.00 WAT +ATOM 30228 H1 TIP3 7973 7.796 40.626 -20.736 1.00 0.00 WAT +ATOM 30229 H2 TIP3 7973 7.776 40.630 -22.233 1.00 0.00 WAT +ATOM 30230 OH2 TIP3 7974 -1.735 41.465 -9.990 1.00 0.00 WAT +ATOM 30231 H1 TIP3 7974 -1.607 42.100 -9.246 1.00 0.00 WAT +ATOM 30232 H2 TIP3 7974 -2.707 41.414 -10.006 1.00 0.00 WAT +ATOM 30233 OH2 TIP3 7975 10.668 32.475 -22.104 1.00 0.00 WAT +ATOM 30234 H1 TIP3 7975 9.802 32.591 -21.676 1.00 0.00 WAT +ATOM 30235 H2 TIP3 7975 11.026 33.376 -22.137 1.00 0.00 WAT +ATOM 30236 OH2 TIP3 7976 -1.238 40.877 -19.760 1.00 0.00 WAT +ATOM 30237 H1 TIP3 7976 -1.413 41.668 -20.312 1.00 0.00 WAT +ATOM 30238 H2 TIP3 7976 -1.883 40.243 -20.094 1.00 0.00 WAT +ATOM 30239 OH2 TIP3 7977 -5.171 43.097 -10.969 1.00 0.00 WAT +ATOM 30240 H1 TIP3 7977 -5.292 42.899 -11.909 1.00 0.00 WAT +ATOM 30241 H2 TIP3 7977 -4.936 42.224 -10.600 1.00 0.00 WAT +ATOM 30242 OH2 TIP3 7978 10.071 38.372 -7.923 1.00 0.00 WAT +ATOM 30243 H1 TIP3 7978 9.569 38.761 -8.652 1.00 0.00 WAT +ATOM 30244 H2 TIP3 7978 10.127 37.438 -8.203 1.00 0.00 WAT +ATOM 30245 OH2 TIP3 7979 0.232 33.456 -13.998 1.00 0.00 WAT +ATOM 30246 H1 TIP3 7979 -0.570 33.463 -14.552 1.00 0.00 WAT +ATOM 30247 H2 TIP3 7979 0.057 34.236 -13.447 1.00 0.00 WAT +ATOM 30248 OH2 TIP3 7980 4.614 33.035 -10.415 1.00 0.00 WAT +ATOM 30249 H1 TIP3 7980 5.143 32.548 -9.751 1.00 0.00 WAT +ATOM 30250 H2 TIP3 7980 3.707 32.719 -10.246 1.00 0.00 WAT +ATOM 30251 OH2 TIP3 7981 7.751 36.854 -9.893 1.00 0.00 WAT +ATOM 30252 H1 TIP3 7981 7.167 36.701 -9.127 1.00 0.00 WAT +ATOM 30253 H2 TIP3 7981 7.694 37.817 -10.027 1.00 0.00 WAT +ATOM 30254 OH2 TIP3 7982 8.500 41.616 -23.469 1.00 0.00 WAT +ATOM 30255 H1 TIP3 7982 8.402 41.574 -24.435 1.00 0.00 WAT +ATOM 30256 H2 TIP3 7982 9.338 42.113 -23.398 1.00 0.00 WAT +ATOM 30257 OH2 TIP3 7983 4.668 35.492 -23.112 1.00 0.00 WAT +ATOM 30258 H1 TIP3 7983 4.050 35.510 -22.365 1.00 0.00 WAT +ATOM 30259 H2 TIP3 7983 4.166 34.929 -23.727 1.00 0.00 WAT +ATOM 30260 OH2 TIP3 7984 0.098 38.229 -12.593 1.00 0.00 WAT +ATOM 30261 H1 TIP3 7984 -0.499 38.382 -11.841 1.00 0.00 WAT +ATOM 30262 H2 TIP3 7984 0.193 39.135 -12.969 1.00 0.00 WAT +ATOM 30263 OH2 TIP3 7985 0.039 38.334 -17.748 1.00 0.00 WAT +ATOM 30264 H1 TIP3 7985 -0.922 38.281 -17.904 1.00 0.00 WAT +ATOM 30265 H2 TIP3 7985 0.372 38.168 -18.651 1.00 0.00 WAT +ATOM 30266 OH2 TIP3 7986 6.049 38.770 -19.255 1.00 0.00 WAT +ATOM 30267 H1 TIP3 7986 5.438 39.528 -19.255 1.00 0.00 WAT +ATOM 30268 H2 TIP3 7986 6.507 38.975 -20.092 1.00 0.00 WAT +ATOM 30269 OH2 TIP3 7987 4.844 39.196 -7.548 1.00 0.00 WAT +ATOM 30270 H1 TIP3 7987 4.340 38.432 -7.208 1.00 0.00 WAT +ATOM 30271 H2 TIP3 7987 5.727 39.046 -7.161 1.00 0.00 WAT +ATOM 30272 OH2 TIP3 7988 6.562 38.077 -16.316 1.00 0.00 WAT +ATOM 30273 H1 TIP3 7988 6.314 38.670 -17.046 1.00 0.00 WAT +ATOM 30274 H2 TIP3 7988 6.621 37.225 -16.763 1.00 0.00 WAT +ATOM 30275 OH2 TIP3 7989 -2.499 38.394 -10.837 1.00 0.00 WAT +ATOM 30276 H1 TIP3 7989 -2.329 38.806 -9.982 1.00 0.00 WAT +ATOM 30277 H2 TIP3 7989 -2.880 37.538 -10.574 1.00 0.00 WAT +ATOM 30278 OH2 TIP3 7990 0.877 36.001 -24.203 1.00 0.00 WAT +ATOM 30279 H1 TIP3 7990 0.472 35.646 -23.388 1.00 0.00 WAT +ATOM 30280 H2 TIP3 7990 0.103 36.203 -24.743 1.00 0.00 WAT +ATOM 30281 OH2 TIP3 7991 -5.708 35.959 -17.157 1.00 0.00 WAT +ATOM 30282 H1 TIP3 7991 -5.108 35.881 -16.392 1.00 0.00 WAT +ATOM 30283 H2 TIP3 7991 -5.228 35.523 -17.877 1.00 0.00 WAT +ATOM 30284 OH2 TIP3 7992 -4.105 36.345 -21.427 1.00 0.00 WAT +ATOM 30285 H1 TIP3 7992 -3.586 36.832 -22.100 1.00 0.00 WAT +ATOM 30286 H2 TIP3 7992 -4.821 36.982 -21.256 1.00 0.00 WAT +ATOM 30287 OH2 TIP3 7993 5.432 39.960 -11.781 1.00 0.00 WAT +ATOM 30288 H1 TIP3 7993 6.016 39.317 -12.237 1.00 0.00 WAT +ATOM 30289 H2 TIP3 7993 5.209 39.473 -10.974 1.00 0.00 WAT +ATOM 30290 OH2 TIP3 7994 2.829 35.940 -16.692 1.00 0.00 WAT +ATOM 30291 H1 TIP3 7994 1.870 35.927 -16.522 1.00 0.00 WAT +ATOM 30292 H2 TIP3 7994 3.178 35.744 -15.807 1.00 0.00 WAT +ATOM 30293 OH2 TIP3 7995 -2.633 37.169 -18.038 1.00 0.00 WAT +ATOM 30294 H1 TIP3 7995 -3.445 37.448 -18.499 1.00 0.00 WAT +ATOM 30295 H2 TIP3 7995 -2.357 36.376 -18.534 1.00 0.00 WAT +ATOM 30296 OH2 TIP3 7996 1.002 37.475 -20.388 1.00 0.00 WAT +ATOM 30297 H1 TIP3 7996 1.963 37.615 -20.315 1.00 0.00 WAT +ATOM 30298 H2 TIP3 7996 0.731 38.087 -21.096 1.00 0.00 WAT +ATOM 30299 OH2 TIP3 7997 7.155 35.081 -13.711 1.00 0.00 WAT +ATOM 30300 H1 TIP3 7997 6.557 35.093 -12.930 1.00 0.00 WAT +ATOM 30301 H2 TIP3 7997 6.549 34.713 -14.373 1.00 0.00 WAT +ATOM 30302 OH2 TIP3 7998 -0.533 38.749 -22.575 1.00 0.00 WAT +ATOM 30303 H1 TIP3 7998 -1.114 38.469 -23.299 1.00 0.00 WAT +ATOM 30304 H2 TIP3 7998 0.279 38.969 -23.069 1.00 0.00 WAT +ATOM 30305 OH2 TIP3 7999 -1.604 43.160 -7.928 1.00 0.00 WAT +ATOM 30306 H1 TIP3 7999 -1.052 43.654 -7.289 1.00 0.00 WAT +ATOM 30307 H2 TIP3 7999 -2.420 43.041 -7.392 1.00 0.00 WAT +ATOM 30308 OH2 TIP3 8000 3.924 38.473 -14.929 1.00 0.00 WAT +ATOM 30309 H1 TIP3 8000 4.612 37.938 -15.344 1.00 0.00 WAT +ATOM 30310 H2 TIP3 8000 3.712 37.944 -14.134 1.00 0.00 WAT +ATOM 30311 OH2 TIP3 8001 -0.960 34.828 -18.666 1.00 0.00 WAT +ATOM 30312 H1 TIP3 8001 -1.450 33.998 -18.536 1.00 0.00 WAT +ATOM 30313 H2 TIP3 8001 -0.172 34.523 -19.136 1.00 0.00 WAT +ATOM 30314 OH2 TIP3 8002 2.817 36.989 -12.703 1.00 0.00 WAT +ATOM 30315 H1 TIP3 8002 2.023 37.547 -12.642 1.00 0.00 WAT +ATOM 30316 H2 TIP3 8002 3.311 37.223 -11.892 1.00 0.00 WAT +ATOM 30317 OH2 TIP3 8003 2.902 43.345 -20.671 1.00 0.00 WAT +ATOM 30318 H1 TIP3 8003 2.161 42.906 -21.136 1.00 0.00 WAT +ATOM 30319 H2 TIP3 8003 2.668 43.251 -19.741 1.00 0.00 WAT +ATOM 30320 OH2 TIP3 8004 10.410 42.645 -12.075 1.00 0.00 WAT +ATOM 30321 H1 TIP3 8004 10.666 43.125 -12.881 1.00 0.00 WAT +ATOM 30322 H2 TIP3 8004 9.455 42.563 -12.250 1.00 0.00 WAT +ATOM 30323 OH2 TIP3 8005 7.111 36.564 -22.150 1.00 0.00 WAT +ATOM 30324 H1 TIP3 8005 6.294 36.373 -22.657 1.00 0.00 WAT +ATOM 30325 H2 TIP3 8005 7.305 37.469 -22.440 1.00 0.00 WAT +ATOM 30326 OH2 TIP3 8006 -1.640 42.506 -15.021 1.00 0.00 WAT +ATOM 30327 H1 TIP3 8006 -1.061 42.391 -15.807 1.00 0.00 WAT +ATOM 30328 H2 TIP3 8006 -1.567 41.632 -14.607 1.00 0.00 WAT +ATOM 30329 OH2 TIP3 8007 -4.605 40.771 -9.709 1.00 0.00 WAT +ATOM 30330 H1 TIP3 8007 -4.520 40.427 -8.799 1.00 0.00 WAT +ATOM 30331 H2 TIP3 8007 -5.378 40.297 -10.057 1.00 0.00 WAT +ATOM 30332 OH2 TIP3 8008 2.291 40.479 -7.654 1.00 0.00 WAT +ATOM 30333 H1 TIP3 8008 1.954 40.274 -8.541 1.00 0.00 WAT +ATOM 30334 H2 TIP3 8008 3.240 40.282 -7.757 1.00 0.00 WAT +ATOM 30335 OH2 TIP3 8009 12.332 37.925 -21.114 1.00 0.00 WAT +ATOM 30336 H1 TIP3 8009 11.756 37.706 -21.870 1.00 0.00 WAT +ATOM 30337 H2 TIP3 8009 12.399 38.886 -21.256 1.00 0.00 WAT +ATOM 30338 OH2 TIP3 8010 7.823 41.730 -13.391 1.00 0.00 WAT +ATOM 30339 H1 TIP3 8010 6.917 41.800 -13.737 1.00 0.00 WAT +ATOM 30340 H2 TIP3 8010 8.322 41.399 -14.149 1.00 0.00 WAT +ATOM 30341 OH2 TIP3 8011 -3.627 40.938 -23.134 1.00 0.00 WAT +ATOM 30342 H1 TIP3 8011 -3.049 41.555 -22.660 1.00 0.00 WAT +ATOM 30343 H2 TIP3 8011 -4.486 41.102 -22.690 1.00 0.00 WAT +ATOM 30344 OH2 TIP3 8012 -3.358 35.631 -10.047 1.00 0.00 WAT +ATOM 30345 H1 TIP3 8012 -4.267 35.902 -10.286 1.00 0.00 WAT +ATOM 30346 H2 TIP3 8012 -3.511 34.773 -9.612 1.00 0.00 WAT +ATOM 30347 OH2 TIP3 8013 -1.851 -43.868 -21.285 1.00 0.00 WAT +ATOM 30348 H1 TIP3 8013 -2.762 -43.535 -21.146 1.00 0.00 WAT +ATOM 30349 H2 TIP3 8013 -1.402 -43.047 -21.537 1.00 0.00 WAT +ATOM 30350 OH2 TIP3 8014 5.612 35.475 -11.509 1.00 0.00 WAT +ATOM 30351 H1 TIP3 8014 6.212 35.786 -10.813 1.00 0.00 WAT +ATOM 30352 H2 TIP3 8014 5.126 34.752 -11.067 1.00 0.00 WAT +ATOM 30353 OH2 TIP3 8015 6.276 35.247 -19.847 1.00 0.00 WAT +ATOM 30354 H1 TIP3 8015 6.432 35.637 -20.736 1.00 0.00 WAT +ATOM 30355 H2 TIP3 8015 7.158 35.186 -19.489 1.00 0.00 WAT +ATOM 30356 OH2 TIP3 8016 3.630 36.979 -19.294 1.00 0.00 WAT +ATOM 30357 H1 TIP3 8016 4.471 37.460 -19.206 1.00 0.00 WAT +ATOM 30358 H2 TIP3 8016 3.367 36.817 -18.369 1.00 0.00 WAT +ATOM 30359 OH2 TIP3 8017 4.058 37.890 -10.117 1.00 0.00 WAT +ATOM 30360 H1 TIP3 8017 4.082 38.405 -9.294 1.00 0.00 WAT +ATOM 30361 H2 TIP3 8017 4.557 37.103 -9.863 1.00 0.00 WAT +ATOM 30362 OH2 TIP3 8018 4.235 33.931 -18.344 1.00 0.00 WAT +ATOM 30363 H1 TIP3 8018 3.947 34.602 -17.695 1.00 0.00 WAT +ATOM 30364 H2 TIP3 8018 4.948 34.412 -18.812 1.00 0.00 WAT +ATOM 30365 OH2 TIP3 8019 -0.030 34.932 -21.802 1.00 0.00 WAT +ATOM 30366 H1 TIP3 8019 0.003 35.724 -21.238 1.00 0.00 WAT +ATOM 30367 H2 TIP3 8019 0.800 34.483 -21.551 1.00 0.00 WAT +ATOM 30368 OH2 TIP3 8020 10.300 35.848 -9.247 1.00 0.00 WAT +ATOM 30369 H1 TIP3 8020 9.341 35.959 -9.398 1.00 0.00 WAT +ATOM 30370 H2 TIP3 8020 10.563 35.624 -10.151 1.00 0.00 WAT +ATOM 30371 OH2 TIP3 8021 8.906 39.628 -15.511 1.00 0.00 WAT +ATOM 30372 H1 TIP3 8021 8.030 39.211 -15.533 1.00 0.00 WAT +ATOM 30373 H2 TIP3 8021 9.368 39.065 -14.856 1.00 0.00 WAT +ATOM 30374 OH2 TIP3 8022 -3.500 38.000 -23.605 1.00 0.00 WAT +ATOM 30375 H1 TIP3 8022 -3.364 38.948 -23.442 1.00 0.00 WAT +ATOM 30376 H2 TIP3 8022 -4.334 37.997 -24.093 1.00 0.00 WAT +ATOM 30377 OH2 TIP3 8023 -2.541 32.991 -14.897 1.00 0.00 WAT +ATOM 30378 H1 TIP3 8023 -2.708 32.961 -15.859 1.00 0.00 WAT +ATOM 30379 H2 TIP3 8023 -2.916 32.151 -14.586 1.00 0.00 WAT +ATOM 30380 OH2 TIP3 8024 -4.044 43.066 -6.804 1.00 0.00 WAT +ATOM 30381 H1 TIP3 8024 -4.299 42.128 -6.752 1.00 0.00 WAT +ATOM 30382 H2 TIP3 8024 -4.853 43.535 -7.031 1.00 0.00 WAT +ATOM 30383 OH2 TIP3 8025 1.828 43.291 -7.264 1.00 0.00 WAT +ATOM 30384 H1 TIP3 8025 1.850 43.456 -8.227 1.00 0.00 WAT +ATOM 30385 H2 TIP3 8025 2.202 42.390 -7.213 1.00 0.00 WAT +ATOM 30386 OH2 TIP3 8026 7.870 -43.765 -9.528 1.00 0.00 WAT +ATOM 30387 H1 TIP3 8026 8.656 -43.303 -9.854 1.00 0.00 WAT +ATOM 30388 H2 TIP3 8026 7.177 -43.119 -9.720 1.00 0.00 WAT +ATOM 30389 OH2 TIP3 8027 -3.492 40.225 -7.078 1.00 0.00 WAT +ATOM 30390 H1 TIP3 8027 -2.705 39.657 -7.141 1.00 0.00 WAT +ATOM 30391 H2 TIP3 8027 -3.473 40.456 -6.131 1.00 0.00 WAT +ATOM 30392 OH2 TIP3 8028 1.075 41.603 -21.900 1.00 0.00 WAT +ATOM 30393 H1 TIP3 8028 0.390 41.138 -21.404 1.00 0.00 WAT +ATOM 30394 H2 TIP3 8028 1.257 40.988 -22.632 1.00 0.00 WAT +ATOM 30395 OH2 TIP3 8029 0.255 39.323 -9.682 1.00 0.00 WAT +ATOM 30396 H1 TIP3 8029 -0.328 40.084 -9.501 1.00 0.00 WAT +ATOM 30397 H2 TIP3 8029 0.883 39.709 -10.319 1.00 0.00 WAT +ATOM 30398 OH2 TIP3 8030 1.924 39.558 -23.737 1.00 0.00 WAT +ATOM 30399 H1 TIP3 8030 1.895 39.711 -24.701 1.00 0.00 WAT +ATOM 30400 H2 TIP3 8030 2.880 39.620 -23.561 1.00 0.00 WAT +ATOM 30401 OH2 TIP3 8031 5.515 42.152 -6.173 1.00 0.00 WAT +ATOM 30402 H1 TIP3 8031 6.406 41.958 -6.484 1.00 0.00 WAT +ATOM 30403 H2 TIP3 8031 5.201 41.299 -5.866 1.00 0.00 WAT +ATOM 30404 OH2 TIP3 8032 11.132 41.882 -24.505 1.00 0.00 WAT +ATOM 30405 H1 TIP3 8032 11.153 41.833 -25.470 1.00 0.00 WAT +ATOM 30406 H2 TIP3 8032 11.199 42.841 -24.318 1.00 0.00 WAT +ATOM 30407 OH2 TIP3 8033 0.813 36.635 -8.560 1.00 0.00 WAT +ATOM 30408 H1 TIP3 8033 0.877 35.983 -9.280 1.00 0.00 WAT +ATOM 30409 H2 TIP3 8033 0.600 37.451 -9.048 1.00 0.00 WAT +ATOM 30410 OH2 TIP3 8034 1.152 35.087 -11.153 1.00 0.00 WAT +ATOM 30411 H1 TIP3 8034 1.654 35.659 -11.762 1.00 0.00 WAT +ATOM 30412 H2 TIP3 8034 0.230 35.171 -11.472 1.00 0.00 WAT +ATOM 30413 OH2 TIP3 8035 2.636 40.652 -10.813 1.00 0.00 WAT +ATOM 30414 H1 TIP3 8035 3.492 40.555 -11.265 1.00 0.00 WAT +ATOM 30415 H2 TIP3 8035 2.301 41.484 -11.189 1.00 0.00 WAT +ATOM 30416 OH2 TIP3 8036 7.282 38.487 -5.931 1.00 0.00 WAT +ATOM 30417 H1 TIP3 8036 7.497 37.551 -5.802 1.00 0.00 WAT +ATOM 30418 H2 TIP3 8036 8.168 38.880 -5.979 1.00 0.00 WAT +ATOM 30419 OH2 TIP3 8037 8.237 41.357 -7.586 1.00 0.00 WAT +ATOM 30420 H1 TIP3 8037 7.997 42.081 -8.209 1.00 0.00 WAT +ATOM 30421 H2 TIP3 8037 9.154 41.192 -7.866 1.00 0.00 WAT +ATOM 30422 OH2 TIP3 8038 -1.039 38.511 -6.769 1.00 0.00 WAT +ATOM 30423 H1 TIP3 8038 -1.540 37.675 -6.775 1.00 0.00 WAT +ATOM 30424 H2 TIP3 8038 -0.209 38.246 -7.196 1.00 0.00 WAT +ATOM 30425 OH2 TIP3 8039 1.864 32.437 -10.766 1.00 0.00 WAT +ATOM 30426 H1 TIP3 8039 1.700 33.393 -10.926 1.00 0.00 WAT +ATOM 30427 H2 TIP3 8039 1.152 32.029 -11.285 1.00 0.00 WAT +ATOM 30428 OH2 TIP3 8040 3.144 37.000 -6.982 1.00 0.00 WAT +ATOM 30429 H1 TIP3 8040 2.796 36.810 -6.093 1.00 0.00 WAT +ATOM 30430 H2 TIP3 8040 2.339 36.815 -7.510 1.00 0.00 WAT +ATOM 30431 OH2 TIP3 8041 5.648 36.045 -8.117 1.00 0.00 WAT +ATOM 30432 H1 TIP3 8041 4.778 36.119 -7.680 1.00 0.00 WAT +ATOM 30433 H2 TIP3 8041 6.116 35.426 -7.522 1.00 0.00 WAT +ATOM 30434 OH2 TIP3 8042 7.505 34.543 -6.383 1.00 0.00 WAT +ATOM 30435 H1 TIP3 8042 7.362 33.589 -6.227 1.00 0.00 WAT +ATOM 30436 H2 TIP3 8042 7.328 34.941 -5.511 1.00 0.00 WAT +ATOM 30437 OH2 TIP3 8043 -2.322 35.942 -6.930 1.00 0.00 WAT +ATOM 30438 H1 TIP3 8043 -2.399 35.238 -7.592 1.00 0.00 WAT +ATOM 30439 H2 TIP3 8043 -2.537 35.464 -6.106 1.00 0.00 WAT +ATOM 30440 OH2 TIP3 8044 1.698 31.912 -7.942 1.00 0.00 WAT +ATOM 30441 H1 TIP3 8044 2.302 31.154 -7.878 1.00 0.00 WAT +ATOM 30442 H2 TIP3 8044 1.699 32.074 -8.904 1.00 0.00 WAT +ATOM 30443 OH2 TIP3 8045 2.647 33.787 -6.094 1.00 0.00 WAT +ATOM 30444 H1 TIP3 8045 2.328 33.193 -6.803 1.00 0.00 WAT +ATOM 30445 H2 TIP3 8045 1.959 34.471 -6.064 1.00 0.00 WAT +ATOM 30446 OH2 TIP3 8046 12.045 43.605 -20.039 1.00 0.00 WAT +ATOM 30447 H1 TIP3 8046 12.980 43.605 -20.278 1.00 0.00 WAT +ATOM 30448 H2 TIP3 8046 11.884 42.733 -19.654 1.00 0.00 WAT +ATOM 30449 OH2 TIP3 8047 12.317 41.240 -18.434 1.00 0.00 WAT +ATOM 30450 H1 TIP3 8047 11.663 40.764 -17.915 1.00 0.00 WAT +ATOM 30451 H2 TIP3 8047 12.959 41.521 -17.751 1.00 0.00 WAT +ATOM 30452 OH2 TIP3 8048 12.572 40.938 -21.925 1.00 0.00 WAT +ATOM 30453 H1 TIP3 8048 11.933 41.133 -22.637 1.00 0.00 WAT +ATOM 30454 H2 TIP3 8048 12.462 41.719 -21.370 1.00 0.00 WAT +ATOM 30455 OH2 TIP3 8049 10.878 38.418 -23.620 1.00 0.00 WAT +ATOM 30456 H1 TIP3 8049 11.053 39.074 -24.311 1.00 0.00 WAT +ATOM 30457 H2 TIP3 8049 10.633 37.625 -24.135 1.00 0.00 WAT +ATOM 30458 OH2 TIP3 8050 9.946 38.790 -17.904 1.00 0.00 WAT +ATOM 30459 H1 TIP3 8050 10.477 38.254 -17.297 1.00 0.00 WAT +ATOM 30460 H2 TIP3 8050 9.657 39.479 -17.270 1.00 0.00 WAT +ATOM 30461 OH2 TIP3 8051 -5.003 41.861 -13.754 1.00 0.00 WAT +ATOM 30462 H1 TIP3 8051 -4.899 42.032 -14.702 1.00 0.00 WAT +ATOM 30463 H2 TIP3 8051 -4.092 41.620 -13.488 1.00 0.00 WAT +ATOM 30464 OH2 TIP3 8052 10.996 41.596 -8.521 1.00 0.00 WAT +ATOM 30465 H1 TIP3 8052 11.726 41.013 -8.229 1.00 0.00 WAT +ATOM 30466 H2 TIP3 8052 11.426 42.437 -8.762 1.00 0.00 WAT +ATOM 30467 OH2 TIP3 8053 12.423 39.651 -7.339 1.00 0.00 WAT +ATOM 30468 H1 TIP3 8053 11.613 39.125 -7.514 1.00 0.00 WAT +ATOM 30469 H2 TIP3 8053 13.106 38.958 -7.303 1.00 0.00 WAT +ATOM 30470 OH2 TIP3 8054 10.276 35.783 -24.424 1.00 0.00 WAT +ATOM 30471 H1 TIP3 8054 10.871 35.262 -23.858 1.00 0.00 WAT +ATOM 30472 H2 TIP3 8054 9.489 35.224 -24.529 1.00 0.00 WAT +ATOM 30473 OH2 TIP3 8055 10.353 37.662 -14.107 1.00 0.00 WAT +ATOM 30474 H1 TIP3 8055 11.326 37.768 -14.051 1.00 0.00 WAT +ATOM 30475 H2 TIP3 8055 10.136 37.679 -13.159 1.00 0.00 WAT +ATOM 30476 OH2 TIP3 8056 10.512 38.369 -11.228 1.00 0.00 WAT +ATOM 30477 H1 TIP3 8056 9.655 38.753 -10.967 1.00 0.00 WAT +ATOM 30478 H2 TIP3 8056 11.024 39.172 -11.456 1.00 0.00 WAT +ATOM 30479 OH2 TIP3 8057 -5.006 37.162 -7.538 1.00 0.00 WAT +ATOM 30480 H1 TIP3 8057 -4.070 36.902 -7.499 1.00 0.00 WAT +ATOM 30481 H2 TIP3 8057 -5.450 36.299 -7.464 1.00 0.00 WAT +ATOM 30482 OH2 TIP3 8058 13.067 32.525 -5.921 1.00 0.00 WAT +ATOM 30483 H1 TIP3 8058 13.486 31.831 -6.465 1.00 0.00 WAT +ATOM 30484 H2 TIP3 8058 13.102 33.298 -6.516 1.00 0.00 WAT +ATOM 30485 OH2 TIP3 8059 10.171 34.934 -19.311 1.00 0.00 WAT +ATOM 30486 H1 TIP3 8059 10.649 34.500 -18.572 1.00 0.00 WAT +ATOM 30487 H2 TIP3 8059 9.813 34.153 -19.774 1.00 0.00 WAT +ATOM 30488 OH2 TIP3 8060 -4.215 35.472 -14.767 1.00 0.00 WAT +ATOM 30489 H1 TIP3 8060 -3.763 34.623 -14.637 1.00 0.00 WAT +ATOM 30490 H2 TIP3 8060 -3.559 36.089 -14.392 1.00 0.00 WAT +ATOM 30491 OH2 TIP3 8061 -5.664 38.132 -13.661 1.00 0.00 WAT +ATOM 30492 H1 TIP3 8061 -5.108 38.143 -14.457 1.00 0.00 WAT +ATOM 30493 H2 TIP3 8061 -5.367 38.937 -13.214 1.00 0.00 WAT +ATOM 30494 OH2 TIP3 8062 12.457 34.581 -7.682 1.00 0.00 WAT +ATOM 30495 H1 TIP3 8062 11.578 34.996 -7.620 1.00 0.00 WAT +ATOM 30496 H2 TIP3 8062 12.327 34.025 -8.472 1.00 0.00 WAT +ATOM 30497 OH2 TIP3 8063 12.525 34.730 -22.818 1.00 0.00 WAT +ATOM 30498 H1 TIP3 8063 12.864 33.950 -23.291 1.00 0.00 WAT +ATOM 30499 H2 TIP3 8063 13.326 35.275 -22.743 1.00 0.00 WAT +ATOM 30500 OH2 TIP3 8064 -5.177 34.505 -19.607 1.00 0.00 WAT +ATOM 30501 H1 TIP3 8064 -6.126 34.523 -19.824 1.00 0.00 WAT +ATOM 30502 H2 TIP3 8064 -4.785 35.093 -20.283 1.00 0.00 WAT +ATOM 30503 OH2 TIP3 8065 -5.166 33.307 -11.545 1.00 0.00 WAT +ATOM 30504 H1 TIP3 8065 -5.848 33.122 -10.883 1.00 0.00 WAT +ATOM 30505 H2 TIP3 8065 -5.649 33.914 -12.141 1.00 0.00 WAT +ATOM 30506 OH2 TIP3 8066 11.325 32.804 -9.699 1.00 0.00 WAT +ATOM 30507 H1 TIP3 8066 10.513 32.991 -10.201 1.00 0.00 WAT +ATOM 30508 H2 TIP3 8066 11.541 31.902 -10.017 1.00 0.00 WAT +ATOM 30509 OH2 TIP3 8067 4.701 34.198 -15.207 1.00 0.00 WAT +ATOM 30510 H1 TIP3 8067 3.977 33.552 -15.151 1.00 0.00 WAT +ATOM 30511 H2 TIP3 8067 5.312 33.759 -15.820 1.00 0.00 WAT +ATOM 30512 OH2 TIP3 8068 9.704 32.386 -14.767 1.00 0.00 WAT +ATOM 30513 H1 TIP3 8068 10.461 32.809 -15.201 1.00 0.00 WAT +ATOM 30514 H2 TIP3 8068 8.959 32.631 -15.336 1.00 0.00 WAT +ATOM 30515 OH2 TIP3 8069 11.668 33.531 -17.062 1.00 0.00 WAT +ATOM 30516 H1 TIP3 8069 12.396 32.998 -17.435 1.00 0.00 WAT +ATOM 30517 H2 TIP3 8069 12.128 34.373 -16.865 1.00 0.00 WAT +ATOM 30518 OH2 TIP3 8070 -2.715 32.610 -17.737 1.00 0.00 WAT +ATOM 30519 H1 TIP3 8070 -3.595 32.595 -18.166 1.00 0.00 WAT +ATOM 30520 H2 TIP3 8070 -2.460 31.687 -17.811 1.00 0.00 WAT +ATOM 30521 OH2 TIP3 8071 -4.052 32.484 -21.778 1.00 0.00 WAT +ATOM 30522 H1 TIP3 8071 -3.581 33.151 -22.314 1.00 0.00 WAT +ATOM 30523 H2 TIP3 8071 -4.517 33.039 -21.132 1.00 0.00 WAT +ATOM 30524 OH2 TIP3 8072 1.507 32.800 -17.835 1.00 0.00 WAT +ATOM 30525 H1 TIP3 8072 2.439 32.992 -18.011 1.00 0.00 WAT +ATOM 30526 H2 TIP3 8072 1.550 32.533 -16.908 1.00 0.00 WAT +ATOM 30527 OH2 TIP3 8073 7.116 32.895 -16.459 1.00 0.00 WAT +ATOM 30528 H1 TIP3 8073 7.463 32.623 -17.320 1.00 0.00 WAT +ATOM 30529 H2 TIP3 8073 6.775 32.045 -16.121 1.00 0.00 WAT +ATOM 30530 OH2 TIP3 8074 8.271 32.949 -20.396 1.00 0.00 WAT +ATOM 30531 H1 TIP3 8074 7.413 33.259 -20.715 1.00 0.00 WAT +ATOM 30532 H2 TIP3 8074 8.055 32.019 -20.192 1.00 0.00 WAT +ATOM 30533 OH2 TIP3 8075 -2.388 34.303 -23.350 1.00 0.00 WAT +ATOM 30534 H1 TIP3 8075 -1.764 33.781 -23.881 1.00 0.00 WAT +ATOM 30535 H2 TIP3 8075 -1.799 34.652 -22.654 1.00 0.00 WAT +ATOM 30536 OH2 TIP3 8076 2.761 34.500 -20.784 1.00 0.00 WAT +ATOM 30537 H1 TIP3 8076 3.044 33.944 -20.043 1.00 0.00 WAT +ATOM 30538 H2 TIP3 8076 2.882 35.382 -20.400 1.00 0.00 WAT +ATOM 30539 OH2 TIP3 8077 -3.096 33.226 -8.179 1.00 0.00 WAT +ATOM 30540 H1 TIP3 8077 -3.510 32.432 -7.797 1.00 0.00 WAT +ATOM 30541 H2 TIP3 8077 -2.185 33.125 -7.855 1.00 0.00 WAT +ATOM 30542 OH2 TIP3 8078 -0.737 32.632 -6.429 1.00 0.00 WAT +ATOM 30543 H1 TIP3 8078 0.091 32.273 -6.808 1.00 0.00 WAT +ATOM 30544 H2 TIP3 8078 -1.082 31.848 -5.968 1.00 0.00 WAT +ATOM 30545 OH2 TIP3 8079 7.402 31.741 -6.248 1.00 0.00 WAT +ATOM 30546 H1 TIP3 8079 7.432 31.325 -5.365 1.00 0.00 WAT +ATOM 30547 H2 TIP3 8079 8.343 31.710 -6.505 1.00 0.00 WAT +ATOM 30548 OH2 TIP3 8080 25.009 42.067 -17.647 1.00 0.00 WAT +ATOM 30549 H1 TIP3 8080 24.635 42.955 -17.593 1.00 0.00 WAT +ATOM 30550 H2 TIP3 8080 24.262 41.586 -18.032 1.00 0.00 WAT +ATOM 30551 OH2 TIP3 8081 23.821 41.305 -14.334 1.00 0.00 WAT +ATOM 30552 H1 TIP3 8081 23.819 40.812 -13.497 1.00 0.00 WAT +ATOM 30553 H2 TIP3 8081 23.516 40.642 -14.964 1.00 0.00 WAT +ATOM 30554 OH2 TIP3 8082 16.246 40.820 -12.703 1.00 0.00 WAT +ATOM 30555 H1 TIP3 8082 16.203 40.065 -12.089 1.00 0.00 WAT +ATOM 30556 H2 TIP3 8082 16.956 41.335 -12.297 1.00 0.00 WAT +ATOM 30557 OH2 TIP3 8083 13.888 38.790 -18.779 1.00 0.00 WAT +ATOM 30558 H1 TIP3 8083 13.542 39.699 -18.744 1.00 0.00 WAT +ATOM 30559 H2 TIP3 8083 13.205 38.337 -19.292 1.00 0.00 WAT +ATOM 30560 OH2 TIP3 8084 14.787 41.317 -17.002 1.00 0.00 WAT +ATOM 30561 H1 TIP3 8084 14.831 40.572 -16.374 1.00 0.00 WAT +ATOM 30562 H2 TIP3 8084 15.665 41.251 -17.395 1.00 0.00 WAT +ATOM 30563 OH2 TIP3 8085 30.939 35.277 -13.176 1.00 0.00 WAT +ATOM 30564 H1 TIP3 8085 31.209 35.805 -12.404 1.00 0.00 WAT +ATOM 30565 H2 TIP3 8085 31.608 35.553 -13.827 1.00 0.00 WAT +ATOM 30566 OH2 TIP3 8086 25.624 38.057 -13.272 1.00 0.00 WAT +ATOM 30567 H1 TIP3 8086 25.763 37.098 -13.199 1.00 0.00 WAT +ATOM 30568 H2 TIP3 8086 25.517 38.165 -14.230 1.00 0.00 WAT +ATOM 30569 OH2 TIP3 8087 18.580 36.056 -16.185 1.00 0.00 WAT +ATOM 30570 H1 TIP3 8087 18.722 36.911 -16.638 1.00 0.00 WAT +ATOM 30571 H2 TIP3 8087 18.229 35.531 -16.930 1.00 0.00 WAT +ATOM 30572 OH2 TIP3 8088 26.427 36.212 -17.890 1.00 0.00 WAT +ATOM 30573 H1 TIP3 8088 26.989 35.787 -17.205 1.00 0.00 WAT +ATOM 30574 H2 TIP3 8088 27.091 36.719 -18.377 1.00 0.00 WAT +ATOM 30575 OH2 TIP3 8089 15.226 38.746 -15.671 1.00 0.00 WAT +ATOM 30576 H1 TIP3 8089 15.892 38.321 -15.104 1.00 0.00 WAT +ATOM 30577 H2 TIP3 8089 15.370 38.282 -16.515 1.00 0.00 WAT +ATOM 30578 OH2 TIP3 8090 20.684 40.179 -16.205 1.00 0.00 WAT +ATOM 30579 H1 TIP3 8090 21.353 39.588 -15.801 1.00 0.00 WAT +ATOM 30580 H2 TIP3 8090 20.128 39.536 -16.685 1.00 0.00 WAT +ATOM 30581 OH2 TIP3 8091 31.690 36.607 -10.665 1.00 0.00 WAT +ATOM 30582 H1 TIP3 8091 31.063 37.311 -10.908 1.00 0.00 WAT +ATOM 30583 H2 TIP3 8091 31.575 36.587 -9.703 1.00 0.00 WAT +ATOM 30584 OH2 TIP3 8092 17.374 34.841 -12.038 1.00 0.00 WAT +ATOM 30585 H1 TIP3 8092 16.971 35.362 -12.749 1.00 0.00 WAT +ATOM 30586 H2 TIP3 8092 16.723 34.979 -11.321 1.00 0.00 WAT +ATOM 30587 OH2 TIP3 8093 20.103 42.659 -12.271 1.00 0.00 WAT +ATOM 30588 H1 TIP3 8093 19.293 43.177 -12.147 1.00 0.00 WAT +ATOM 30589 H2 TIP3 8093 20.753 43.376 -12.285 1.00 0.00 WAT +ATOM 30590 OH2 TIP3 8094 28.264 35.472 -15.843 1.00 0.00 WAT +ATOM 30591 H1 TIP3 8094 27.881 34.859 -15.201 1.00 0.00 WAT +ATOM 30592 H2 TIP3 8094 28.764 36.072 -15.261 1.00 0.00 WAT +ATOM 30593 OH2 TIP3 8095 16.971 36.899 -14.095 1.00 0.00 WAT +ATOM 30594 H1 TIP3 8095 17.613 37.461 -13.611 1.00 0.00 WAT +ATOM 30595 H2 TIP3 8095 17.556 36.530 -14.793 1.00 0.00 WAT +ATOM 30596 OH2 TIP3 8096 28.386 34.628 -11.996 1.00 0.00 WAT +ATOM 30597 H1 TIP3 8096 27.617 35.013 -12.455 1.00 0.00 WAT +ATOM 30598 H2 TIP3 8096 29.115 34.808 -12.619 1.00 0.00 WAT +ATOM 30599 OH2 TIP3 8097 21.513 32.340 -14.961 1.00 0.00 WAT +ATOM 30600 H1 TIP3 8097 21.300 31.389 -14.994 1.00 0.00 WAT +ATOM 30601 H2 TIP3 8097 20.694 32.713 -14.570 1.00 0.00 WAT +ATOM 30602 OH2 TIP3 8098 23.478 41.440 -20.209 1.00 0.00 WAT +ATOM 30603 H1 TIP3 8098 22.830 41.802 -20.828 1.00 0.00 WAT +ATOM 30604 H2 TIP3 8098 24.247 41.335 -20.795 1.00 0.00 WAT +ATOM 30605 OH2 TIP3 8099 23.894 39.422 -23.008 1.00 0.00 WAT +ATOM 30606 H1 TIP3 8099 24.635 39.788 -22.494 1.00 0.00 WAT +ATOM 30607 H2 TIP3 8099 24.369 38.918 -23.683 1.00 0.00 WAT +ATOM 30608 OH2 TIP3 8100 31.037 40.569 -11.979 1.00 0.00 WAT +ATOM 30609 H1 TIP3 8100 30.364 41.270 -11.838 1.00 0.00 WAT +ATOM 30610 H2 TIP3 8100 31.521 40.961 -12.732 1.00 0.00 WAT +ATOM 30611 OH2 TIP3 8101 27.240 41.396 -19.171 1.00 0.00 WAT +ATOM 30612 H1 TIP3 8101 26.552 41.618 -18.508 1.00 0.00 WAT +ATOM 30613 H2 TIP3 8101 27.860 40.866 -18.646 1.00 0.00 WAT +ATOM 30614 OH2 TIP3 8102 26.944 39.809 -10.267 1.00 0.00 WAT +ATOM 30615 H1 TIP3 8102 26.964 40.563 -9.657 1.00 0.00 WAT +ATOM 30616 H2 TIP3 8102 26.369 40.179 -10.961 1.00 0.00 WAT +ATOM 30617 OH2 TIP3 8103 18.764 42.081 -17.250 1.00 0.00 WAT +ATOM 30618 H1 TIP3 8103 18.549 41.812 -18.161 1.00 0.00 WAT +ATOM 30619 H2 TIP3 8103 19.541 41.532 -17.053 1.00 0.00 WAT +ATOM 30620 OH2 TIP3 8104 19.220 40.728 -13.890 1.00 0.00 WAT +ATOM 30621 H1 TIP3 8104 19.842 40.745 -14.643 1.00 0.00 WAT +ATOM 30622 H2 TIP3 8104 19.579 41.433 -13.308 1.00 0.00 WAT +ATOM 30623 OH2 TIP3 8105 26.039 40.734 -21.550 1.00 0.00 WAT +ATOM 30624 H1 TIP3 8105 26.599 41.006 -20.789 1.00 0.00 WAT +ATOM 30625 H2 TIP3 8105 26.490 41.215 -22.290 1.00 0.00 WAT +ATOM 30626 OH2 TIP3 8106 17.122 41.485 -10.002 1.00 0.00 WAT +ATOM 30627 H1 TIP3 8106 17.244 42.111 -9.251 1.00 0.00 WAT +ATOM 30628 H2 TIP3 8106 16.153 41.391 -9.993 1.00 0.00 WAT +ATOM 30629 OH2 TIP3 8107 29.518 32.469 -22.122 1.00 0.00 WAT +ATOM 30630 H1 TIP3 8107 28.638 32.556 -21.710 1.00 0.00 WAT +ATOM 30631 H2 TIP3 8107 29.857 33.375 -22.058 1.00 0.00 WAT +ATOM 30632 OH2 TIP3 8108 17.607 40.891 -19.742 1.00 0.00 WAT +ATOM 30633 H1 TIP3 8108 17.449 41.674 -20.309 1.00 0.00 WAT +ATOM 30634 H2 TIP3 8108 16.991 40.245 -20.107 1.00 0.00 WAT +ATOM 30635 OH2 TIP3 8109 13.561 43.076 -10.959 1.00 0.00 WAT +ATOM 30636 H1 TIP3 8109 13.587 42.920 -11.915 1.00 0.00 WAT +ATOM 30637 H2 TIP3 8109 13.910 42.237 -10.600 1.00 0.00 WAT +ATOM 30638 OH2 TIP3 8110 28.912 38.372 -7.926 1.00 0.00 WAT +ATOM 30639 H1 TIP3 8110 28.431 38.741 -8.679 1.00 0.00 WAT +ATOM 30640 H2 TIP3 8110 28.986 37.433 -8.189 1.00 0.00 WAT +ATOM 30641 OH2 TIP3 8111 19.095 33.485 -14.030 1.00 0.00 WAT +ATOM 30642 H1 TIP3 8111 18.270 33.422 -14.543 1.00 0.00 WAT +ATOM 30643 H2 TIP3 8111 18.866 34.213 -13.431 1.00 0.00 WAT +ATOM 30644 OH2 TIP3 8112 23.463 33.064 -10.389 1.00 0.00 WAT +ATOM 30645 H1 TIP3 8112 23.997 32.540 -9.759 1.00 0.00 WAT +ATOM 30646 H2 TIP3 8112 22.563 32.713 -10.257 1.00 0.00 WAT +ATOM 30647 OH2 TIP3 8113 26.604 36.854 -9.894 1.00 0.00 WAT +ATOM 30648 H1 TIP3 8113 26.025 36.697 -9.126 1.00 0.00 WAT +ATOM 30649 H2 TIP3 8113 26.546 37.815 -10.027 1.00 0.00 WAT +ATOM 30650 OH2 TIP3 8114 27.460 41.819 -23.582 1.00 0.00 WAT +ATOM 30651 H1 TIP3 8114 27.240 41.625 -24.511 1.00 0.00 WAT +ATOM 30652 H2 TIP3 8114 28.418 41.985 -23.675 1.00 0.00 WAT +ATOM 30653 OH2 TIP3 8115 23.278 35.569 -23.115 1.00 0.00 WAT +ATOM 30654 H1 TIP3 8115 22.775 35.439 -22.298 1.00 0.00 WAT +ATOM 30655 H2 TIP3 8115 22.861 34.902 -23.688 1.00 0.00 WAT +ATOM 30656 OH2 TIP3 8116 18.944 38.249 -12.608 1.00 0.00 WAT +ATOM 30657 H1 TIP3 8116 18.361 38.379 -11.841 1.00 0.00 WAT +ATOM 30658 H2 TIP3 8116 19.020 39.159 -12.971 1.00 0.00 WAT +ATOM 30659 OH2 TIP3 8117 18.895 38.348 -17.749 1.00 0.00 WAT +ATOM 30660 H1 TIP3 8117 17.938 38.267 -17.912 1.00 0.00 WAT +ATOM 30661 H2 TIP3 8117 19.244 38.152 -18.642 1.00 0.00 WAT +ATOM 30662 OH2 TIP3 8118 24.525 39.008 -18.933 1.00 0.00 WAT +ATOM 30663 H1 TIP3 8118 24.035 39.743 -19.345 1.00 0.00 WAT +ATOM 30664 H2 TIP3 8118 25.164 38.779 -19.629 1.00 0.00 WAT +ATOM 30665 OH2 TIP3 8119 23.693 39.206 -7.533 1.00 0.00 WAT +ATOM 30666 H1 TIP3 8119 23.199 38.428 -7.209 1.00 0.00 WAT +ATOM 30667 H2 TIP3 8119 24.582 39.048 -7.164 1.00 0.00 WAT +ATOM 30668 OH2 TIP3 8120 25.334 38.308 -16.200 1.00 0.00 WAT +ATOM 30669 H1 TIP3 8120 25.052 38.838 -16.970 1.00 0.00 WAT +ATOM 30670 H2 TIP3 8120 25.573 37.477 -16.655 1.00 0.00 WAT +ATOM 30671 OH2 TIP3 8121 16.336 38.402 -10.835 1.00 0.00 WAT +ATOM 30672 H1 TIP3 8121 16.548 38.791 -9.978 1.00 0.00 WAT +ATOM 30673 H2 TIP3 8121 15.981 37.533 -10.575 1.00 0.00 WAT +ATOM 30674 OH2 TIP3 8122 19.712 36.031 -24.219 1.00 0.00 WAT +ATOM 30675 H1 TIP3 8122 19.346 35.668 -23.387 1.00 0.00 WAT +ATOM 30676 H2 TIP3 8122 18.919 36.162 -24.753 1.00 0.00 WAT +ATOM 30677 OH2 TIP3 8123 13.110 35.891 -17.122 1.00 0.00 WAT +ATOM 30678 H1 TIP3 8123 13.730 35.912 -16.367 1.00 0.00 WAT +ATOM 30679 H2 TIP3 8123 13.661 35.549 -17.841 1.00 0.00 WAT +ATOM 30680 OH2 TIP3 8124 14.704 36.341 -21.388 1.00 0.00 WAT +ATOM 30681 H1 TIP3 8124 15.246 36.811 -22.056 1.00 0.00 WAT +ATOM 30682 H2 TIP3 8124 13.989 36.987 -21.248 1.00 0.00 WAT +ATOM 30683 OH2 TIP3 8125 24.324 39.967 -11.759 1.00 0.00 WAT +ATOM 30684 H1 TIP3 8125 24.864 39.299 -12.238 1.00 0.00 WAT +ATOM 30685 H2 TIP3 8125 24.050 39.455 -10.982 1.00 0.00 WAT +ATOM 30686 OH2 TIP3 8126 21.663 35.952 -16.713 1.00 0.00 WAT +ATOM 30687 H1 TIP3 8126 20.721 35.900 -16.478 1.00 0.00 WAT +ATOM 30688 H2 TIP3 8126 22.086 35.745 -15.861 1.00 0.00 WAT +ATOM 30689 OH2 TIP3 8127 16.201 37.156 -18.025 1.00 0.00 WAT +ATOM 30690 H1 TIP3 8127 15.419 37.437 -18.531 1.00 0.00 WAT +ATOM 30691 H2 TIP3 8127 16.529 36.381 -18.520 1.00 0.00 WAT +ATOM 30692 OH2 TIP3 8128 19.862 37.509 -20.357 1.00 0.00 WAT +ATOM 30693 H1 TIP3 8128 20.831 37.582 -20.308 1.00 0.00 WAT +ATOM 30694 H2 TIP3 8128 19.619 38.099 -21.091 1.00 0.00 WAT +ATOM 30695 OH2 TIP3 8129 26.044 35.089 -13.700 1.00 0.00 WAT +ATOM 30696 H1 TIP3 8129 25.415 35.086 -12.946 1.00 0.00 WAT +ATOM 30697 H2 TIP3 8129 25.465 34.741 -14.399 1.00 0.00 WAT +ATOM 30698 OH2 TIP3 8130 18.301 38.767 -22.579 1.00 0.00 WAT +ATOM 30699 H1 TIP3 8130 17.741 38.444 -23.300 1.00 0.00 WAT +ATOM 30700 H2 TIP3 8130 19.124 38.966 -23.060 1.00 0.00 WAT +ATOM 30701 OH2 TIP3 8131 17.259 43.161 -7.929 1.00 0.00 WAT +ATOM 30702 H1 TIP3 8131 17.803 43.646 -7.275 1.00 0.00 WAT +ATOM 30703 H2 TIP3 8131 16.436 43.036 -7.404 1.00 0.00 WAT +ATOM 30704 OH2 TIP3 8132 22.662 38.501 -14.894 1.00 0.00 WAT +ATOM 30705 H1 TIP3 8132 23.417 38.076 -15.328 1.00 0.00 WAT +ATOM 30706 H2 TIP3 8132 22.514 37.907 -14.130 1.00 0.00 WAT +ATOM 30707 OH2 TIP3 8133 17.966 34.904 -18.728 1.00 0.00 WAT +ATOM 30708 H1 TIP3 8133 17.430 34.109 -18.573 1.00 0.00 WAT +ATOM 30709 H2 TIP3 8133 18.783 34.532 -19.091 1.00 0.00 WAT +ATOM 30710 OH2 TIP3 8134 21.653 36.950 -12.661 1.00 0.00 WAT +ATOM 30711 H1 TIP3 8134 20.872 37.526 -12.618 1.00 0.00 WAT +ATOM 30712 H2 TIP3 8134 22.155 37.196 -11.860 1.00 0.00 WAT +ATOM 30713 OH2 TIP3 8135 21.362 43.656 -20.515 1.00 0.00 WAT +ATOM 30714 H1 TIP3 8135 20.953 43.003 -21.115 1.00 0.00 WAT +ATOM 30715 H2 TIP3 8135 21.852 43.133 -19.878 1.00 0.00 WAT +ATOM 30716 OH2 TIP3 8136 29.278 42.667 -12.078 1.00 0.00 WAT +ATOM 30717 H1 TIP3 8136 29.497 43.111 -12.917 1.00 0.00 WAT +ATOM 30718 H2 TIP3 8136 28.321 42.552 -12.228 1.00 0.00 WAT +ATOM 30719 OH2 TIP3 8137 25.949 36.177 -22.986 1.00 0.00 WAT +ATOM 30720 H1 TIP3 8137 24.966 36.130 -23.016 1.00 0.00 WAT +ATOM 30721 H2 TIP3 8137 26.120 36.888 -22.338 1.00 0.00 WAT +ATOM 30722 OH2 TIP3 8138 26.647 37.969 -20.896 1.00 0.00 WAT +ATOM 30723 H1 TIP3 8138 27.526 37.822 -20.496 1.00 0.00 WAT +ATOM 30724 H2 TIP3 8138 26.753 38.833 -21.331 1.00 0.00 WAT +ATOM 30725 OH2 TIP3 8139 17.060 42.362 -15.159 1.00 0.00 WAT +ATOM 30726 H1 TIP3 8139 17.768 42.351 -15.839 1.00 0.00 WAT +ATOM 30727 H2 TIP3 8139 17.330 41.621 -14.591 1.00 0.00 WAT +ATOM 30728 OH2 TIP3 8140 14.278 40.776 -9.713 1.00 0.00 WAT +ATOM 30729 H1 TIP3 8140 14.358 40.435 -8.801 1.00 0.00 WAT +ATOM 30730 H2 TIP3 8140 13.502 40.305 -10.056 1.00 0.00 WAT +ATOM 30731 OH2 TIP3 8141 21.148 40.497 -7.663 1.00 0.00 WAT +ATOM 30732 H1 TIP3 8141 20.818 40.271 -8.547 1.00 0.00 WAT +ATOM 30733 H2 TIP3 8141 22.093 40.271 -7.748 1.00 0.00 WAT +ATOM 30734 OH2 TIP3 8142 31.196 37.938 -21.197 1.00 0.00 WAT +ATOM 30735 H1 TIP3 8142 30.657 37.774 -21.997 1.00 0.00 WAT +ATOM 30736 H2 TIP3 8142 31.362 38.888 -21.300 1.00 0.00 WAT +ATOM 30737 OH2 TIP3 8143 26.700 41.803 -13.453 1.00 0.00 WAT +ATOM 30738 H1 TIP3 8143 25.773 41.775 -13.740 1.00 0.00 WAT +ATOM 30739 H2 TIP3 8143 27.158 41.301 -14.142 1.00 0.00 WAT +ATOM 30740 OH2 TIP3 8144 15.229 40.939 -23.135 1.00 0.00 WAT +ATOM 30741 H1 TIP3 8144 15.821 41.549 -22.668 1.00 0.00 WAT +ATOM 30742 H2 TIP3 8144 14.378 41.120 -22.687 1.00 0.00 WAT +ATOM 30743 OH2 TIP3 8145 15.497 35.648 -10.038 1.00 0.00 WAT +ATOM 30744 H1 TIP3 8145 14.588 35.892 -10.300 1.00 0.00 WAT +ATOM 30745 H2 TIP3 8145 15.357 34.776 -9.628 1.00 0.00 WAT +ATOM 30746 OH2 TIP3 8146 16.992 -43.871 -21.300 1.00 0.00 WAT +ATOM 30747 H1 TIP3 8146 16.091 -43.524 -21.140 1.00 0.00 WAT +ATOM 30748 H2 TIP3 8146 17.453 -43.052 -21.537 1.00 0.00 WAT +ATOM 30749 OH2 TIP3 8147 24.458 35.492 -11.500 1.00 0.00 WAT +ATOM 30750 H1 TIP3 8147 25.085 35.768 -10.813 1.00 0.00 WAT +ATOM 30751 H2 TIP3 8147 23.986 34.748 -11.075 1.00 0.00 WAT +ATOM 30752 OH2 TIP3 8148 25.104 34.923 -20.234 1.00 0.00 WAT +ATOM 30753 H1 TIP3 8148 25.288 35.452 -21.024 1.00 0.00 WAT +ATOM 30754 H2 TIP3 8148 25.572 35.418 -19.539 1.00 0.00 WAT +ATOM 30755 OH2 TIP3 8149 22.524 36.937 -19.288 1.00 0.00 WAT +ATOM 30756 H1 TIP3 8149 23.296 37.508 -19.117 1.00 0.00 WAT +ATOM 30757 H2 TIP3 8149 22.218 36.743 -18.380 1.00 0.00 WAT +ATOM 30758 OH2 TIP3 8150 22.925 37.916 -10.116 1.00 0.00 WAT +ATOM 30759 H1 TIP3 8150 22.967 38.396 -9.274 1.00 0.00 WAT +ATOM 30760 H2 TIP3 8150 23.401 37.103 -9.897 1.00 0.00 WAT +ATOM 30761 OH2 TIP3 8151 23.091 33.935 -18.364 1.00 0.00 WAT +ATOM 30762 H1 TIP3 8151 22.917 34.608 -17.679 1.00 0.00 WAT +ATOM 30763 H2 TIP3 8151 23.834 34.345 -18.851 1.00 0.00 WAT +ATOM 30764 OH2 TIP3 8152 18.834 34.946 -21.831 1.00 0.00 WAT +ATOM 30765 H1 TIP3 8152 18.859 35.701 -21.218 1.00 0.00 WAT +ATOM 30766 H2 TIP3 8152 19.640 34.461 -21.561 1.00 0.00 WAT +ATOM 30767 OH2 TIP3 8153 29.148 35.853 -9.234 1.00 0.00 WAT +ATOM 30768 H1 TIP3 8153 28.193 35.957 -9.414 1.00 0.00 WAT +ATOM 30769 H2 TIP3 8153 29.439 35.605 -10.124 1.00 0.00 WAT +ATOM 30770 OH2 TIP3 8154 27.773 39.674 -15.470 1.00 0.00 WAT +ATOM 30771 H1 TIP3 8154 26.905 39.250 -15.580 1.00 0.00 WAT +ATOM 30772 H2 TIP3 8154 28.226 39.034 -14.878 1.00 0.00 WAT +ATOM 30773 OH2 TIP3 8155 15.343 37.988 -23.588 1.00 0.00 WAT +ATOM 30774 H1 TIP3 8155 15.505 38.934 -23.438 1.00 0.00 WAT +ATOM 30775 H2 TIP3 8155 14.526 38.001 -24.102 1.00 0.00 WAT +ATOM 30776 OH2 TIP3 8156 16.300 33.041 -14.855 1.00 0.00 WAT +ATOM 30777 H1 TIP3 8156 16.115 33.007 -15.814 1.00 0.00 WAT +ATOM 30778 H2 TIP3 8156 15.977 32.174 -14.543 1.00 0.00 WAT +ATOM 30779 OH2 TIP3 8157 14.816 43.060 -6.833 1.00 0.00 WAT +ATOM 30780 H1 TIP3 8157 14.555 42.128 -6.736 1.00 0.00 WAT +ATOM 30781 H2 TIP3 8157 13.997 43.534 -7.004 1.00 0.00 WAT +ATOM 30782 OH2 TIP3 8158 20.701 43.288 -7.265 1.00 0.00 WAT +ATOM 30783 H1 TIP3 8158 20.711 43.451 -8.228 1.00 0.00 WAT +ATOM 30784 H2 TIP3 8158 21.051 42.377 -7.220 1.00 0.00 WAT +ATOM 30785 OH2 TIP3 8159 26.722 -43.762 -9.539 1.00 0.00 WAT +ATOM 30786 H1 TIP3 8159 27.511 -43.294 -9.845 1.00 0.00 WAT +ATOM 30787 H2 TIP3 8159 26.034 -43.104 -9.698 1.00 0.00 WAT +ATOM 30788 OH2 TIP3 8160 15.372 40.220 -7.080 1.00 0.00 WAT +ATOM 30789 H1 TIP3 8160 16.159 39.652 -7.138 1.00 0.00 WAT +ATOM 30790 H2 TIP3 8160 15.385 40.454 -6.134 1.00 0.00 WAT +ATOM 30791 OH2 TIP3 8161 19.978 41.599 -21.960 1.00 0.00 WAT +ATOM 30792 H1 TIP3 8161 19.287 41.193 -21.422 1.00 0.00 WAT +ATOM 30793 H2 TIP3 8161 20.104 40.936 -22.666 1.00 0.00 WAT +ATOM 30794 OH2 TIP3 8162 19.102 39.325 -9.688 1.00 0.00 WAT +ATOM 30795 H1 TIP3 8162 18.536 40.095 -9.497 1.00 0.00 WAT +ATOM 30796 H2 TIP3 8162 19.741 39.704 -10.316 1.00 0.00 WAT +ATOM 30797 OH2 TIP3 8163 20.778 39.568 -23.730 1.00 0.00 WAT +ATOM 30798 H1 TIP3 8163 20.749 39.706 -24.695 1.00 0.00 WAT +ATOM 30799 H2 TIP3 8163 21.738 39.566 -23.563 1.00 0.00 WAT +ATOM 30800 OH2 TIP3 8164 24.382 42.156 -6.145 1.00 0.00 WAT +ATOM 30801 H1 TIP3 8164 25.264 41.953 -6.477 1.00 0.00 WAT +ATOM 30802 H2 TIP3 8164 24.052 41.295 -5.875 1.00 0.00 WAT +ATOM 30803 OH2 TIP3 8165 30.005 41.908 -24.468 1.00 0.00 WAT +ATOM 30804 H1 TIP3 8165 29.994 41.740 -25.426 1.00 0.00 WAT +ATOM 30805 H2 TIP3 8165 30.250 42.855 -24.422 1.00 0.00 WAT +ATOM 30806 OH2 TIP3 8166 19.668 36.629 -8.560 1.00 0.00 WAT +ATOM 30807 H1 TIP3 8166 19.733 35.973 -9.278 1.00 0.00 WAT +ATOM 30808 H2 TIP3 8166 19.458 37.441 -9.055 1.00 0.00 WAT +ATOM 30809 OH2 TIP3 8167 19.998 35.104 -11.116 1.00 0.00 WAT +ATOM 30810 H1 TIP3 8167 20.520 35.624 -11.756 1.00 0.00 WAT +ATOM 30811 H2 TIP3 8167 19.089 35.145 -11.477 1.00 0.00 WAT +ATOM 30812 OH2 TIP3 8168 21.487 40.655 -10.811 1.00 0.00 WAT +ATOM 30813 H1 TIP3 8168 22.340 40.541 -11.262 1.00 0.00 WAT +ATOM 30814 H2 TIP3 8168 21.157 41.483 -11.201 1.00 0.00 WAT +ATOM 30815 OH2 TIP3 8169 26.145 38.488 -5.923 1.00 0.00 WAT +ATOM 30816 H1 TIP3 8169 26.350 37.546 -5.816 1.00 0.00 WAT +ATOM 30817 H2 TIP3 8169 27.037 38.866 -5.977 1.00 0.00 WAT +ATOM 30818 OH2 TIP3 8170 27.079 41.360 -7.584 1.00 0.00 WAT +ATOM 30819 H1 TIP3 8170 26.864 42.081 -8.219 1.00 0.00 WAT +ATOM 30820 H2 TIP3 8170 27.994 41.164 -7.850 1.00 0.00 WAT +ATOM 30821 OH2 TIP3 8171 17.814 38.511 -6.776 1.00 0.00 WAT +ATOM 30822 H1 TIP3 8171 17.315 37.673 -6.777 1.00 0.00 WAT +ATOM 30823 H2 TIP3 8171 18.644 38.243 -7.198 1.00 0.00 WAT +ATOM 30824 OH2 TIP3 8172 20.714 32.431 -10.752 1.00 0.00 WAT +ATOM 30825 H1 TIP3 8172 20.544 33.383 -10.920 1.00 0.00 WAT +ATOM 30826 H2 TIP3 8172 20.018 32.013 -11.293 1.00 0.00 WAT +ATOM 30827 OH2 TIP3 8173 21.990 37.013 -6.979 1.00 0.00 WAT +ATOM 30828 H1 TIP3 8173 21.644 36.810 -6.093 1.00 0.00 WAT +ATOM 30829 H2 TIP3 8173 21.191 36.814 -7.512 1.00 0.00 WAT +ATOM 30830 OH2 TIP3 8174 24.514 36.068 -8.103 1.00 0.00 WAT +ATOM 30831 H1 TIP3 8174 23.638 36.110 -7.677 1.00 0.00 WAT +ATOM 30832 H2 TIP3 8174 24.985 35.430 -7.530 1.00 0.00 WAT +ATOM 30833 OH2 TIP3 8175 26.337 34.550 -6.393 1.00 0.00 WAT +ATOM 30834 H1 TIP3 8175 26.227 33.590 -6.238 1.00 0.00 WAT +ATOM 30835 H2 TIP3 8175 26.188 34.938 -5.512 1.00 0.00 WAT +ATOM 30836 OH2 TIP3 8176 16.538 35.941 -6.924 1.00 0.00 WAT +ATOM 30837 H1 TIP3 8176 16.459 35.239 -7.589 1.00 0.00 WAT +ATOM 30838 H2 TIP3 8176 16.312 35.461 -6.105 1.00 0.00 WAT +ATOM 30839 OH2 TIP3 8177 20.560 31.915 -7.939 1.00 0.00 WAT +ATOM 30840 H1 TIP3 8177 21.163 31.155 -7.893 1.00 0.00 WAT +ATOM 30841 H2 TIP3 8177 20.533 32.067 -8.905 1.00 0.00 WAT +ATOM 30842 OH2 TIP3 8178 21.493 33.780 -6.072 1.00 0.00 WAT +ATOM 30843 H1 TIP3 8178 21.207 33.194 -6.802 1.00 0.00 WAT +ATOM 30844 H2 TIP3 8178 20.810 34.468 -6.075 1.00 0.00 WAT +ATOM 30845 OH2 TIP3 8179 31.375 41.311 -21.690 1.00 0.00 WAT +ATOM 30846 H1 TIP3 8179 30.852 40.996 -22.450 1.00 0.00 WAT +ATOM 30847 H2 TIP3 8179 31.064 42.242 -21.707 1.00 0.00 WAT +ATOM 30848 OH2 TIP3 8180 29.773 38.463 -23.615 1.00 0.00 WAT +ATOM 30849 H1 TIP3 8180 29.917 39.038 -24.380 1.00 0.00 WAT +ATOM 30850 H2 TIP3 8180 29.474 37.631 -24.040 1.00 0.00 WAT +ATOM 30851 OH2 TIP3 8181 29.480 39.870 -17.814 1.00 0.00 WAT +ATOM 30852 H1 TIP3 8181 29.315 38.927 -17.975 1.00 0.00 WAT +ATOM 30853 H2 TIP3 8181 29.048 39.985 -16.942 1.00 0.00 WAT +ATOM 30854 OH2 TIP3 8182 13.868 41.869 -13.750 1.00 0.00 WAT +ATOM 30855 H1 TIP3 8182 13.968 42.038 -14.698 1.00 0.00 WAT +ATOM 30856 H2 TIP3 8182 14.777 41.609 -13.491 1.00 0.00 WAT +ATOM 30857 OH2 TIP3 8183 29.866 41.602 -8.526 1.00 0.00 WAT +ATOM 30858 H1 TIP3 8183 30.581 40.988 -8.259 1.00 0.00 WAT +ATOM 30859 H2 TIP3 8183 30.318 42.443 -8.711 1.00 0.00 WAT +ATOM 30860 OH2 TIP3 8184 31.276 39.635 -7.338 1.00 0.00 WAT +ATOM 30861 H1 TIP3 8184 30.482 39.091 -7.525 1.00 0.00 WAT +ATOM 30862 H2 TIP3 8184 31.977 38.958 -7.315 1.00 0.00 WAT +ATOM 30863 OH2 TIP3 8185 29.142 35.823 -24.376 1.00 0.00 WAT +ATOM 30864 H1 TIP3 8185 29.742 35.286 -23.829 1.00 0.00 WAT +ATOM 30865 H2 TIP3 8185 28.365 35.255 -24.491 1.00 0.00 WAT +ATOM 30866 OH2 TIP3 8186 29.031 37.213 -19.391 1.00 0.00 WAT +ATOM 30867 H1 TIP3 8186 29.191 36.251 -19.285 1.00 0.00 WAT +ATOM 30868 H2 TIP3 8186 29.831 37.461 -19.888 1.00 0.00 WAT +ATOM 30869 OH2 TIP3 8187 29.202 37.716 -14.046 1.00 0.00 WAT +ATOM 30870 H1 TIP3 8187 30.179 37.784 -14.029 1.00 0.00 WAT +ATOM 30871 H2 TIP3 8187 29.023 37.707 -13.090 1.00 0.00 WAT +ATOM 30872 OH2 TIP3 8188 29.374 38.377 -11.206 1.00 0.00 WAT +ATOM 30873 H1 TIP3 8188 28.508 38.752 -10.961 1.00 0.00 WAT +ATOM 30874 H2 TIP3 8188 29.881 39.178 -11.442 1.00 0.00 WAT +ATOM 30875 OH2 TIP3 8189 13.847 37.156 -7.537 1.00 0.00 WAT +ATOM 30876 H1 TIP3 8189 14.785 36.903 -7.507 1.00 0.00 WAT +ATOM 30877 H2 TIP3 8189 13.410 36.289 -7.464 1.00 0.00 WAT +ATOM 30878 OH2 TIP3 8190 31.907 32.499 -5.929 1.00 0.00 WAT +ATOM 30879 H1 TIP3 8190 32.334 31.819 -6.485 1.00 0.00 WAT +ATOM 30880 H2 TIP3 8190 31.964 33.288 -6.503 1.00 0.00 WAT +ATOM 30881 OH2 TIP3 8191 29.417 34.349 -19.485 1.00 0.00 WAT +ATOM 30882 H1 TIP3 8191 29.568 33.979 -18.594 1.00 0.00 WAT +ATOM 30883 H2 TIP3 8191 28.642 33.826 -19.775 1.00 0.00 WAT +ATOM 30884 OH2 TIP3 8192 14.631 35.469 -14.745 1.00 0.00 WAT +ATOM 30885 H1 TIP3 8192 15.093 34.617 -14.654 1.00 0.00 WAT +ATOM 30886 H2 TIP3 8192 15.310 36.079 -14.399 1.00 0.00 WAT +ATOM 30887 OH2 TIP3 8193 13.160 38.151 -13.711 1.00 0.00 WAT +ATOM 30888 H1 TIP3 8193 13.803 38.147 -14.441 1.00 0.00 WAT +ATOM 30889 H2 TIP3 8193 13.467 38.912 -13.199 1.00 0.00 WAT +ATOM 30890 OH2 TIP3 8194 31.298 34.568 -7.660 1.00 0.00 WAT +ATOM 30891 H1 TIP3 8194 30.424 34.998 -7.652 1.00 0.00 WAT +ATOM 30892 H2 TIP3 8194 31.211 34.023 -8.463 1.00 0.00 WAT +ATOM 30893 OH2 TIP3 8195 31.417 34.769 -22.835 1.00 0.00 WAT +ATOM 30894 H1 TIP3 8195 31.705 33.946 -23.267 1.00 0.00 WAT +ATOM 30895 H2 TIP3 8195 32.251 35.261 -22.765 1.00 0.00 WAT +ATOM 30896 OH2 TIP3 8196 13.494 34.470 -19.727 1.00 0.00 WAT +ATOM 30897 H1 TIP3 8196 12.610 34.796 -19.930 1.00 0.00 WAT +ATOM 30898 H2 TIP3 8196 14.056 35.056 -20.270 1.00 0.00 WAT +ATOM 30899 OH2 TIP3 8197 13.716 33.379 -11.484 1.00 0.00 WAT +ATOM 30900 H1 TIP3 8197 13.015 33.091 -10.884 1.00 0.00 WAT +ATOM 30901 H2 TIP3 8197 13.206 33.882 -12.143 1.00 0.00 WAT +ATOM 30902 OH2 TIP3 8198 30.155 32.787 -9.684 1.00 0.00 WAT +ATOM 30903 H1 TIP3 8198 29.363 32.964 -10.219 1.00 0.00 WAT +ATOM 30904 H2 TIP3 8198 30.404 31.893 -10.001 1.00 0.00 WAT +ATOM 30905 OH2 TIP3 8199 23.592 34.305 -15.254 1.00 0.00 WAT +ATOM 30906 H1 TIP3 8199 22.910 33.625 -15.092 1.00 0.00 WAT +ATOM 30907 H2 TIP3 8199 24.217 33.825 -15.822 1.00 0.00 WAT +ATOM 30908 OH2 TIP3 8200 28.541 32.346 -14.764 1.00 0.00 WAT +ATOM 30909 H1 TIP3 8200 29.322 32.761 -15.165 1.00 0.00 WAT +ATOM 30910 H2 TIP3 8200 27.817 32.626 -15.345 1.00 0.00 WAT +ATOM 30911 OH2 TIP3 8201 30.603 33.446 -16.977 1.00 0.00 WAT +ATOM 30912 H1 TIP3 8201 31.352 32.987 -17.399 1.00 0.00 WAT +ATOM 30913 H2 TIP3 8201 30.960 34.329 -16.797 1.00 0.00 WAT +ATOM 30914 OH2 TIP3 8202 15.926 33.011 -17.695 1.00 0.00 WAT +ATOM 30915 H1 TIP3 8202 15.060 32.826 -18.108 1.00 0.00 WAT +ATOM 30916 H2 TIP3 8202 16.375 32.153 -17.817 1.00 0.00 WAT +ATOM 30917 OH2 TIP3 8203 14.761 32.503 -21.784 1.00 0.00 WAT +ATOM 30918 H1 TIP3 8203 15.279 33.157 -22.291 1.00 0.00 WAT +ATOM 30919 H2 TIP3 8203 14.323 33.059 -21.118 1.00 0.00 WAT +ATOM 30920 OH2 TIP3 8204 20.413 32.846 -17.797 1.00 0.00 WAT +ATOM 30921 H1 TIP3 8204 21.330 33.134 -17.945 1.00 0.00 WAT +ATOM 30922 H2 TIP3 8204 20.404 32.749 -16.836 1.00 0.00 WAT +ATOM 30923 OH2 TIP3 8205 25.987 32.891 -16.409 1.00 0.00 WAT +ATOM 30924 H1 TIP3 8205 26.295 32.692 -17.303 1.00 0.00 WAT +ATOM 30925 H2 TIP3 8205 25.635 32.026 -16.126 1.00 0.00 WAT +ATOM 30926 OH2 TIP3 8206 27.129 32.882 -20.414 1.00 0.00 WAT +ATOM 30927 H1 TIP3 8206 26.299 33.380 -20.538 1.00 0.00 WAT +ATOM 30928 H2 TIP3 8206 26.787 31.986 -20.252 1.00 0.00 WAT +ATOM 30929 OH2 TIP3 8207 16.468 34.317 -23.343 1.00 0.00 WAT +ATOM 30930 H1 TIP3 8207 17.072 33.770 -23.873 1.00 0.00 WAT +ATOM 30931 H2 TIP3 8207 17.079 34.654 -22.658 1.00 0.00 WAT +ATOM 30932 OH2 TIP3 8208 21.572 34.508 -20.748 1.00 0.00 WAT +ATOM 30933 H1 TIP3 8208 21.927 33.933 -20.052 1.00 0.00 WAT +ATOM 30934 H2 TIP3 8208 21.766 35.378 -20.365 1.00 0.00 WAT +ATOM 30935 OH2 TIP3 8209 15.745 33.244 -8.148 1.00 0.00 WAT +ATOM 30936 H1 TIP3 8209 15.347 32.428 -7.795 1.00 0.00 WAT +ATOM 30937 H2 TIP3 8209 16.671 33.122 -7.884 1.00 0.00 WAT +ATOM 30938 OH2 TIP3 8210 18.136 32.637 -6.406 1.00 0.00 WAT +ATOM 30939 H1 TIP3 8210 18.954 32.289 -6.815 1.00 0.00 WAT +ATOM 30940 H2 TIP3 8210 17.782 31.835 -5.987 1.00 0.00 WAT +ATOM 30941 OH2 TIP3 8211 26.260 31.752 -6.233 1.00 0.00 WAT +ATOM 30942 H1 TIP3 8211 26.312 31.331 -5.355 1.00 0.00 WAT +ATOM 30943 H2 TIP3 8211 27.192 31.706 -6.521 1.00 0.00 WAT +ATOM 30944 OH2 TIP3 8212 41.940 41.054 -14.120 1.00 0.00 WAT +ATOM 30945 H1 TIP3 8212 42.757 41.263 -13.640 1.00 0.00 WAT +ATOM 30946 H2 TIP3 8212 42.265 40.801 -14.990 1.00 0.00 WAT +ATOM 30947 OH2 TIP3 8213 35.092 40.854 -12.708 1.00 0.00 WAT +ATOM 30948 H1 TIP3 8213 35.036 40.074 -12.126 1.00 0.00 WAT +ATOM 30949 H2 TIP3 8213 35.808 41.333 -12.265 1.00 0.00 WAT +ATOM 30950 OH2 TIP3 8214 32.517 39.170 -18.946 1.00 0.00 WAT +ATOM 30951 H1 TIP3 8214 31.879 39.526 -18.324 1.00 0.00 WAT +ATOM 30952 H2 TIP3 8214 32.118 38.316 -19.159 1.00 0.00 WAT +ATOM 30953 OH2 TIP3 8215 33.385 41.518 -17.348 1.00 0.00 WAT +ATOM 30954 H1 TIP3 8215 33.203 40.822 -16.690 1.00 0.00 WAT +ATOM 30955 H2 TIP3 8215 34.353 41.428 -17.350 1.00 0.00 WAT +ATOM 30956 OH2 TIP3 8216 37.442 36.073 -16.191 1.00 0.00 WAT +ATOM 30957 H1 TIP3 8216 37.577 36.929 -16.643 1.00 0.00 WAT +ATOM 30958 H2 TIP3 8216 37.094 35.539 -16.929 1.00 0.00 WAT +ATOM 30959 OH2 TIP3 8217 34.060 38.816 -15.711 1.00 0.00 WAT +ATOM 30960 H1 TIP3 8217 34.716 38.429 -15.106 1.00 0.00 WAT +ATOM 30961 H2 TIP3 8217 34.248 38.321 -16.525 1.00 0.00 WAT +ATOM 30962 OH2 TIP3 8218 39.529 40.152 -16.194 1.00 0.00 WAT +ATOM 30963 H1 TIP3 8218 40.262 39.598 -15.844 1.00 0.00 WAT +ATOM 30964 H2 TIP3 8218 38.997 39.476 -16.650 1.00 0.00 WAT +ATOM 30965 OH2 TIP3 8219 36.278 34.851 -12.040 1.00 0.00 WAT +ATOM 30966 H1 TIP3 8219 35.846 35.365 -12.736 1.00 0.00 WAT +ATOM 30967 H2 TIP3 8219 35.613 34.935 -11.322 1.00 0.00 WAT +ATOM 30968 OH2 TIP3 8220 38.901 42.662 -12.216 1.00 0.00 WAT +ATOM 30969 H1 TIP3 8220 38.111 43.218 -12.173 1.00 0.00 WAT +ATOM 30970 H2 TIP3 8220 39.599 43.331 -12.198 1.00 0.00 WAT +ATOM 30971 OH2 TIP3 8221 35.824 36.933 -14.106 1.00 0.00 WAT +ATOM 30972 H1 TIP3 8221 36.477 37.470 -13.607 1.00 0.00 WAT +ATOM 30973 H2 TIP3 8221 36.413 36.535 -14.783 1.00 0.00 WAT +ATOM 30974 OH2 TIP3 8222 40.429 32.309 -14.900 1.00 0.00 WAT +ATOM 30975 H1 TIP3 8222 40.149 31.374 -14.890 1.00 0.00 WAT +ATOM 30976 H2 TIP3 8222 39.636 32.744 -14.520 1.00 0.00 WAT +ATOM 30977 OH2 TIP3 8223 42.647 41.258 -20.265 1.00 0.00 WAT +ATOM 30978 H1 TIP3 8223 41.972 41.920 -20.504 1.00 0.00 WAT +ATOM 30979 H2 TIP3 8223 43.291 41.408 -20.957 1.00 0.00 WAT +ATOM 30980 OH2 TIP3 8224 42.853 39.565 -22.964 1.00 0.00 WAT +ATOM 30981 H1 TIP3 8224 43.724 39.622 -22.546 1.00 0.00 WAT +ATOM 30982 H2 TIP3 8224 42.972 38.928 -23.674 1.00 0.00 WAT +ATOM 30983 OH2 TIP3 8225 37.650 42.116 -17.287 1.00 0.00 WAT +ATOM 30984 H1 TIP3 8225 37.417 41.732 -18.152 1.00 0.00 WAT +ATOM 30985 H2 TIP3 8225 38.381 41.538 -17.003 1.00 0.00 WAT +ATOM 30986 OH2 TIP3 8226 38.031 40.815 -13.940 1.00 0.00 WAT +ATOM 30987 H1 TIP3 8226 38.725 40.728 -14.625 1.00 0.00 WAT +ATOM 30988 H2 TIP3 8226 38.442 41.450 -13.315 1.00 0.00 WAT +ATOM 30989 OH2 TIP3 8227 35.974 41.523 -10.026 1.00 0.00 WAT +ATOM 30990 H1 TIP3 8227 36.099 42.124 -9.255 1.00 0.00 WAT +ATOM 30991 H2 TIP3 8227 35.008 41.416 -10.001 1.00 0.00 WAT +ATOM 30992 OH2 TIP3 8228 36.458 40.904 -19.734 1.00 0.00 WAT +ATOM 30993 H1 TIP3 8228 36.309 41.656 -20.344 1.00 0.00 WAT +ATOM 30994 H2 TIP3 8228 35.881 40.218 -20.091 1.00 0.00 WAT +ATOM 30995 OH2 TIP3 8229 32.619 43.121 -11.005 1.00 0.00 WAT +ATOM 30996 H1 TIP3 8229 32.382 42.860 -11.904 1.00 0.00 WAT +ATOM 30997 H2 TIP3 8229 32.788 42.260 -10.571 1.00 0.00 WAT +ATOM 30998 OH2 TIP3 8230 37.981 33.508 -14.064 1.00 0.00 WAT +ATOM 30999 H1 TIP3 8230 37.137 33.409 -14.539 1.00 0.00 WAT +ATOM 31000 H2 TIP3 8230 37.736 34.200 -13.428 1.00 0.00 WAT +ATOM 31001 OH2 TIP3 8231 42.345 32.843 -9.774 1.00 0.00 WAT +ATOM 31002 H1 TIP3 8231 42.439 32.124 -9.132 1.00 0.00 WAT +ATOM 31003 H2 TIP3 8231 41.427 32.691 -10.084 1.00 0.00 WAT +ATOM 31004 OH2 TIP3 8232 42.319 35.637 -23.067 1.00 0.00 WAT +ATOM 31005 H1 TIP3 8232 41.711 35.479 -22.332 1.00 0.00 WAT +ATOM 31006 H2 TIP3 8232 42.019 34.964 -23.695 1.00 0.00 WAT +ATOM 31007 OH2 TIP3 8233 37.772 38.275 -12.607 1.00 0.00 WAT +ATOM 31008 H1 TIP3 8233 37.208 38.373 -11.821 1.00 0.00 WAT +ATOM 31009 H2 TIP3 8233 37.835 39.192 -12.942 1.00 0.00 WAT +ATOM 31010 OH2 TIP3 8234 37.725 38.351 -17.758 1.00 0.00 WAT +ATOM 31011 H1 TIP3 8234 36.768 38.265 -17.924 1.00 0.00 WAT +ATOM 31012 H2 TIP3 8234 38.081 38.147 -18.643 1.00 0.00 WAT +ATOM 31013 OH2 TIP3 8235 42.754 38.783 -18.309 1.00 0.00 WAT +ATOM 31014 H1 TIP3 8235 42.709 39.737 -18.485 1.00 0.00 WAT +ATOM 31015 H2 TIP3 8235 43.669 38.632 -18.036 1.00 0.00 WAT +ATOM 31016 OH2 TIP3 8236 42.628 39.229 -7.058 1.00 0.00 WAT +ATOM 31017 H1 TIP3 8236 41.968 38.515 -7.162 1.00 0.00 WAT +ATOM 31018 H2 TIP3 8236 43.428 38.725 -7.314 1.00 0.00 WAT +ATOM 31019 OH2 TIP3 8237 35.189 38.428 -10.813 1.00 0.00 WAT +ATOM 31020 H1 TIP3 8237 35.427 38.757 -9.938 1.00 0.00 WAT +ATOM 31021 H2 TIP3 8237 34.856 37.538 -10.594 1.00 0.00 WAT +ATOM 31022 OH2 TIP3 8238 38.613 36.085 -24.212 1.00 0.00 WAT +ATOM 31023 H1 TIP3 8238 38.226 35.695 -23.402 1.00 0.00 WAT +ATOM 31024 H2 TIP3 8238 37.845 36.168 -24.790 1.00 0.00 WAT +ATOM 31025 OH2 TIP3 8239 32.126 36.099 -17.243 1.00 0.00 WAT +ATOM 31026 H1 TIP3 8239 32.609 35.920 -16.412 1.00 0.00 WAT +ATOM 31027 H2 TIP3 8239 32.504 35.463 -17.871 1.00 0.00 WAT +ATOM 31028 OH2 TIP3 8240 33.599 36.340 -21.418 1.00 0.00 WAT +ATOM 31029 H1 TIP3 8240 34.132 36.807 -22.094 1.00 0.00 WAT +ATOM 31030 H2 TIP3 8240 32.877 36.975 -21.277 1.00 0.00 WAT +ATOM 31031 OH2 TIP3 8241 43.459 39.726 -11.421 1.00 0.00 WAT +ATOM 31032 H1 TIP3 8241 43.778 39.018 -12.016 1.00 0.00 WAT +ATOM 31033 H2 TIP3 8241 42.716 39.250 -11.002 1.00 0.00 WAT +ATOM 31034 OH2 TIP3 8242 40.495 35.785 -16.678 1.00 0.00 WAT +ATOM 31035 H1 TIP3 8242 39.553 35.838 -16.444 1.00 0.00 WAT +ATOM 31036 H2 TIP3 8242 40.903 35.855 -15.801 1.00 0.00 WAT +ATOM 31037 OH2 TIP3 8243 35.059 37.246 -18.141 1.00 0.00 WAT +ATOM 31038 H1 TIP3 8243 34.184 37.330 -18.537 1.00 0.00 WAT +ATOM 31039 H2 TIP3 8243 35.384 36.409 -18.527 1.00 0.00 WAT +ATOM 31040 OH2 TIP3 8244 38.726 37.475 -20.389 1.00 0.00 WAT +ATOM 31041 H1 TIP3 8244 39.686 37.600 -20.302 1.00 0.00 WAT +ATOM 31042 H2 TIP3 8244 38.473 38.107 -21.083 1.00 0.00 WAT +ATOM 31043 OH2 TIP3 8245 37.180 38.816 -22.596 1.00 0.00 WAT +ATOM 31044 H1 TIP3 8245 36.623 38.443 -23.296 1.00 0.00 WAT +ATOM 31045 H2 TIP3 8245 38.023 38.931 -23.066 1.00 0.00 WAT +ATOM 31046 OH2 TIP3 8246 36.110 43.190 -7.947 1.00 0.00 WAT +ATOM 31047 H1 TIP3 8246 36.681 43.596 -7.265 1.00 0.00 WAT +ATOM 31048 H2 TIP3 8246 35.299 43.028 -7.413 1.00 0.00 WAT +ATOM 31049 OH2 TIP3 8247 41.454 38.287 -15.267 1.00 0.00 WAT +ATOM 31050 H1 TIP3 8247 42.148 37.806 -15.734 1.00 0.00 WAT +ATOM 31051 H2 TIP3 8247 41.609 38.019 -14.344 1.00 0.00 WAT +ATOM 31052 OH2 TIP3 8248 36.791 34.929 -18.729 1.00 0.00 WAT +ATOM 31053 H1 TIP3 8248 36.228 34.154 -18.546 1.00 0.00 WAT +ATOM 31054 H2 TIP3 8248 37.600 34.519 -19.061 1.00 0.00 WAT +ATOM 31055 OH2 TIP3 8249 40.512 36.858 -12.633 1.00 0.00 WAT +ATOM 31056 H1 TIP3 8249 39.776 37.487 -12.710 1.00 0.00 WAT +ATOM 31057 H2 TIP3 8249 41.048 37.258 -11.924 1.00 0.00 WAT +ATOM 31058 OH2 TIP3 8250 40.674 43.337 -20.640 1.00 0.00 WAT +ATOM 31059 H1 TIP3 8250 39.944 42.903 -21.126 1.00 0.00 WAT +ATOM 31060 H2 TIP3 8250 40.437 43.194 -19.717 1.00 0.00 WAT +ATOM 31061 OH2 TIP3 8251 35.722 42.237 -15.367 1.00 0.00 WAT +ATOM 31062 H1 TIP3 8251 36.563 42.307 -15.867 1.00 0.00 WAT +ATOM 31063 H2 TIP3 8251 35.992 41.632 -14.652 1.00 0.00 WAT +ATOM 31064 OH2 TIP3 8252 33.060 40.821 -9.659 1.00 0.00 WAT +ATOM 31065 H1 TIP3 8252 33.239 40.421 -8.785 1.00 0.00 WAT +ATOM 31066 H2 TIP3 8252 32.376 40.240 -10.027 1.00 0.00 WAT +ATOM 31067 OH2 TIP3 8253 40.020 40.676 -7.553 1.00 0.00 WAT +ATOM 31068 H1 TIP3 8253 39.536 40.087 -8.151 1.00 0.00 WAT +ATOM 31069 H2 TIP3 8253 40.884 40.251 -7.478 1.00 0.00 WAT +ATOM 31070 OH2 TIP3 8254 34.009 40.921 -23.093 1.00 0.00 WAT +ATOM 31071 H1 TIP3 8254 34.671 41.495 -22.679 1.00 0.00 WAT +ATOM 31072 H2 TIP3 8254 33.196 41.237 -22.659 1.00 0.00 WAT +ATOM 31073 OH2 TIP3 8255 34.386 35.628 -10.093 1.00 0.00 WAT +ATOM 31074 H1 TIP3 8255 33.466 35.883 -10.290 1.00 0.00 WAT +ATOM 31075 H2 TIP3 8255 34.251 34.790 -9.613 1.00 0.00 WAT +ATOM 31076 OH2 TIP3 8256 35.858 -43.860 -21.300 1.00 0.00 WAT +ATOM 31077 H1 TIP3 8256 34.963 -43.490 -21.172 1.00 0.00 WAT +ATOM 31078 H2 TIP3 8256 36.344 -43.068 -21.576 1.00 0.00 WAT +ATOM 31079 OH2 TIP3 8257 43.389 35.904 -11.000 1.00 0.00 WAT +ATOM 31080 H1 TIP3 8257 43.751 35.161 -10.518 1.00 0.00 WAT +ATOM 31081 H2 TIP3 8257 42.717 35.488 -11.559 1.00 0.00 WAT +ATOM 31082 OH2 TIP3 8258 41.348 36.754 -19.314 1.00 0.00 WAT +ATOM 31083 H1 TIP3 8258 41.968 37.472 -19.044 1.00 0.00 WAT +ATOM 31084 H2 TIP3 8258 40.989 36.558 -18.429 1.00 0.00 WAT +ATOM 31085 OH2 TIP3 8259 41.760 37.932 -10.194 1.00 0.00 WAT +ATOM 31086 H1 TIP3 8259 41.720 38.276 -9.295 1.00 0.00 WAT +ATOM 31087 H2 TIP3 8259 42.361 37.168 -10.106 1.00 0.00 WAT +ATOM 31088 OH2 TIP3 8260 41.927 33.894 -18.120 1.00 0.00 WAT +ATOM 31089 H1 TIP3 8260 41.661 34.674 -17.581 1.00 0.00 WAT +ATOM 31090 H2 TIP3 8260 42.714 34.237 -18.578 1.00 0.00 WAT +ATOM 31091 OH2 TIP3 8261 37.688 34.955 -21.854 1.00 0.00 WAT +ATOM 31092 H1 TIP3 8261 37.699 35.698 -21.225 1.00 0.00 WAT +ATOM 31093 H2 TIP3 8261 38.480 34.457 -21.586 1.00 0.00 WAT +ATOM 31094 OH2 TIP3 8262 34.226 37.998 -23.597 1.00 0.00 WAT +ATOM 31095 H1 TIP3 8262 34.343 38.946 -23.426 1.00 0.00 WAT +ATOM 31096 H2 TIP3 8262 33.406 37.973 -24.107 1.00 0.00 WAT +ATOM 31097 OH2 TIP3 8263 35.179 33.030 -14.850 1.00 0.00 WAT +ATOM 31098 H1 TIP3 8263 34.958 32.984 -15.799 1.00 0.00 WAT +ATOM 31099 H2 TIP3 8263 34.841 32.177 -14.509 1.00 0.00 WAT +ATOM 31100 OH2 TIP3 8264 33.660 43.063 -6.839 1.00 0.00 WAT +ATOM 31101 H1 TIP3 8264 33.456 42.128 -6.654 1.00 0.00 WAT +ATOM 31102 H2 TIP3 8264 32.813 43.461 -7.050 1.00 0.00 WAT +ATOM 31103 OH2 TIP3 8265 39.600 43.324 -7.230 1.00 0.00 WAT +ATOM 31104 H1 TIP3 8265 39.585 43.393 -8.201 1.00 0.00 WAT +ATOM 31105 H2 TIP3 8265 39.862 42.377 -7.133 1.00 0.00 WAT +ATOM 31106 OH2 TIP3 8266 34.295 40.171 -7.093 1.00 0.00 WAT +ATOM 31107 H1 TIP3 8266 34.988 39.496 -7.109 1.00 0.00 WAT +ATOM 31108 H2 TIP3 8266 34.340 40.441 -6.154 1.00 0.00 WAT +ATOM 31109 OH2 TIP3 8267 38.759 41.635 -21.933 1.00 0.00 WAT +ATOM 31110 H1 TIP3 8267 38.142 41.125 -21.396 1.00 0.00 WAT +ATOM 31111 H2 TIP3 8267 39.000 40.996 -22.627 1.00 0.00 WAT +ATOM 31112 OH2 TIP3 8268 37.984 39.437 -9.625 1.00 0.00 WAT +ATOM 31113 H1 TIP3 8268 37.409 40.208 -9.482 1.00 0.00 WAT +ATOM 31114 H2 TIP3 8268 38.607 39.768 -10.292 1.00 0.00 WAT +ATOM 31115 OH2 TIP3 8269 39.772 39.569 -23.692 1.00 0.00 WAT +ATOM 31116 H1 TIP3 8269 39.713 39.669 -24.660 1.00 0.00 WAT +ATOM 31117 H2 TIP3 8269 40.727 39.686 -23.543 1.00 0.00 WAT +ATOM 31118 OH2 TIP3 8270 42.873 41.966 -6.024 1.00 0.00 WAT +ATOM 31119 H1 TIP3 8270 43.512 41.609 -6.644 1.00 0.00 WAT +ATOM 31120 H2 TIP3 8270 42.348 41.177 -5.845 1.00 0.00 WAT +ATOM 31121 OH2 TIP3 8271 38.634 36.714 -8.438 1.00 0.00 WAT +ATOM 31122 H1 TIP3 8271 38.475 36.114 -9.180 1.00 0.00 WAT +ATOM 31123 H2 TIP3 8271 38.210 37.538 -8.730 1.00 0.00 WAT +ATOM 31124 OH2 TIP3 8272 38.864 35.115 -11.038 1.00 0.00 WAT +ATOM 31125 H1 TIP3 8272 39.342 35.707 -11.649 1.00 0.00 WAT +ATOM 31126 H2 TIP3 8272 37.944 35.146 -11.372 1.00 0.00 WAT +ATOM 31127 OH2 TIP3 8273 40.577 40.623 -10.893 1.00 0.00 WAT +ATOM 31128 H1 TIP3 8273 41.338 40.595 -11.488 1.00 0.00 WAT +ATOM 31129 H2 TIP3 8273 40.183 41.477 -11.103 1.00 0.00 WAT +ATOM 31130 OH2 TIP3 8274 39.729 32.510 -10.784 1.00 0.00 WAT +ATOM 31131 H1 TIP3 8274 39.461 33.449 -10.893 1.00 0.00 WAT +ATOM 31132 H2 TIP3 8274 39.034 32.059 -11.300 1.00 0.00 WAT +ATOM 31133 OH2 TIP3 8275 41.024 36.923 -7.109 1.00 0.00 WAT +ATOM 31134 H1 TIP3 8275 40.689 36.685 -6.232 1.00 0.00 WAT +ATOM 31135 H2 TIP3 8275 40.204 36.756 -7.630 1.00 0.00 WAT +ATOM 31136 OH2 TIP3 8276 35.350 36.078 -7.046 1.00 0.00 WAT +ATOM 31137 H1 TIP3 8276 35.317 35.289 -7.600 1.00 0.00 WAT +ATOM 31138 H2 TIP3 8276 35.211 35.727 -6.155 1.00 0.00 WAT +ATOM 31139 OH2 TIP3 8277 39.411 31.900 -7.932 1.00 0.00 WAT +ATOM 31140 H1 TIP3 8277 40.060 31.185 -7.906 1.00 0.00 WAT +ATOM 31141 H2 TIP3 8277 39.397 32.112 -8.883 1.00 0.00 WAT +ATOM 31142 OH2 TIP3 8278 40.432 33.702 -6.023 1.00 0.00 WAT +ATOM 31143 H1 TIP3 8278 40.044 33.192 -6.761 1.00 0.00 WAT +ATOM 31144 H2 TIP3 8278 39.794 34.443 -5.944 1.00 0.00 WAT +ATOM 31145 OH2 TIP3 8279 32.742 41.902 -13.792 1.00 0.00 WAT +ATOM 31146 H1 TIP3 8279 32.909 41.902 -14.740 1.00 0.00 WAT +ATOM 31147 H2 TIP3 8279 33.612 41.621 -13.436 1.00 0.00 WAT +ATOM 31148 OH2 TIP3 8280 32.704 37.134 -7.668 1.00 0.00 WAT +ATOM 31149 H1 TIP3 8280 33.646 36.976 -7.455 1.00 0.00 WAT +ATOM 31150 H2 TIP3 8280 32.326 36.257 -7.481 1.00 0.00 WAT +ATOM 31151 OH2 TIP3 8281 33.478 35.480 -14.776 1.00 0.00 WAT +ATOM 31152 H1 TIP3 8281 33.908 34.617 -14.639 1.00 0.00 WAT +ATOM 31153 H2 TIP3 8281 34.151 36.075 -14.393 1.00 0.00 WAT +ATOM 31154 OH2 TIP3 8282 32.021 38.165 -13.712 1.00 0.00 WAT +ATOM 31155 H1 TIP3 8282 32.644 38.122 -14.454 1.00 0.00 WAT +ATOM 31156 H2 TIP3 8282 32.372 38.908 -13.205 1.00 0.00 WAT +ATOM 31157 OH2 TIP3 8283 32.494 34.490 -19.627 1.00 0.00 WAT +ATOM 31158 H1 TIP3 8283 31.548 34.535 -19.848 1.00 0.00 WAT +ATOM 31159 H2 TIP3 8283 32.908 35.072 -20.294 1.00 0.00 WAT +ATOM 31160 OH2 TIP3 8284 32.577 33.435 -11.458 1.00 0.00 WAT +ATOM 31161 H1 TIP3 8284 31.891 33.045 -10.902 1.00 0.00 WAT +ATOM 31162 H2 TIP3 8284 32.043 33.835 -12.163 1.00 0.00 WAT +ATOM 31163 OH2 TIP3 8285 42.630 33.979 -15.214 1.00 0.00 WAT +ATOM 31164 H1 TIP3 8285 41.807 33.478 -15.077 1.00 0.00 WAT +ATOM 31165 H2 TIP3 8285 42.957 33.591 -16.030 1.00 0.00 WAT +ATOM 31166 OH2 TIP3 8286 34.817 33.023 -17.723 1.00 0.00 WAT +ATOM 31167 H1 TIP3 8286 33.943 32.848 -18.123 1.00 0.00 WAT +ATOM 31168 H2 TIP3 8286 35.234 32.145 -17.802 1.00 0.00 WAT +ATOM 31169 OH2 TIP3 8287 33.603 32.507 -21.811 1.00 0.00 WAT +ATOM 31170 H1 TIP3 8287 34.125 33.165 -22.308 1.00 0.00 WAT +ATOM 31171 H2 TIP3 8287 33.220 33.041 -21.098 1.00 0.00 WAT +ATOM 31172 OH2 TIP3 8288 39.320 32.857 -17.791 1.00 0.00 WAT +ATOM 31173 H1 TIP3 8288 40.252 33.137 -17.862 1.00 0.00 WAT +ATOM 31174 H2 TIP3 8288 39.243 32.750 -16.835 1.00 0.00 WAT +ATOM 31175 OH2 TIP3 8289 35.326 34.332 -23.358 1.00 0.00 WAT +ATOM 31176 H1 TIP3 8289 35.919 33.766 -23.882 1.00 0.00 WAT +ATOM 31177 H2 TIP3 8289 35.938 34.654 -22.669 1.00 0.00 WAT +ATOM 31178 OH2 TIP3 8290 40.660 34.508 -20.802 1.00 0.00 WAT +ATOM 31179 H1 TIP3 8290 40.656 33.899 -20.049 1.00 0.00 WAT +ATOM 31180 H2 TIP3 8290 40.612 35.371 -20.348 1.00 0.00 WAT +ATOM 31181 OH2 TIP3 8291 34.578 33.309 -8.101 1.00 0.00 WAT +ATOM 31182 H1 TIP3 8291 34.216 32.467 -7.780 1.00 0.00 WAT +ATOM 31183 H2 TIP3 8291 35.509 33.216 -7.846 1.00 0.00 WAT +ATOM 31184 OH2 TIP3 8292 36.981 32.609 -6.416 1.00 0.00 WAT +ATOM 31185 H1 TIP3 8292 37.809 32.268 -6.809 1.00 0.00 WAT +ATOM 31186 H2 TIP3 8292 36.626 31.809 -6.000 1.00 0.00 WAT +ATOM 31187 OH2 TIP3 8293 -31.609 -33.673 1.448 1.00 0.00 WAT +ATOM 31188 H1 TIP3 8293 -31.601 -32.706 1.552 1.00 0.00 WAT +ATOM 31189 H2 TIP3 8293 -32.370 -33.791 0.863 1.00 0.00 WAT +ATOM 31190 OH2 TIP3 8294 -32.769 -34.217 4.512 1.00 0.00 WAT +ATOM 31191 H1 TIP3 8294 -32.762 -34.783 5.300 1.00 0.00 WAT +ATOM 31192 H2 TIP3 8294 -33.016 -34.846 3.818 1.00 0.00 WAT +ATOM 31193 OH2 TIP3 8295 -40.285 -34.630 6.157 1.00 0.00 WAT +ATOM 31194 H1 TIP3 8295 -40.323 -35.371 6.790 1.00 0.00 WAT +ATOM 31195 H2 TIP3 8295 -39.579 -34.092 6.540 1.00 0.00 WAT +ATOM 31196 OH2 TIP3 8296 -29.083 -31.487 2.831 1.00 0.00 WAT +ATOM 31197 H1 TIP3 8296 -29.439 -32.196 3.382 1.00 0.00 WAT +ATOM 31198 H2 TIP3 8296 -28.764 -30.869 3.503 1.00 0.00 WAT +ATOM 31199 OH2 TIP3 8297 -39.599 -30.025 4.672 1.00 0.00 WAT +ATOM 31200 H1 TIP3 8297 -39.871 -30.922 4.398 1.00 0.00 WAT +ATOM 31201 H2 TIP3 8297 -38.656 -30.166 4.846 1.00 0.00 WAT +ATOM 31202 OH2 TIP3 8298 -42.145 -36.122 -1.067 1.00 0.00 WAT +ATOM 31203 H1 TIP3 8298 -42.266 -35.362 -0.477 1.00 0.00 WAT +ATOM 31204 H2 TIP3 8298 -43.063 -36.386 -1.214 1.00 0.00 WAT +ATOM 31205 OH2 TIP3 8299 -42.042 -34.301 1.650 1.00 0.00 WAT +ATOM 31206 H1 TIP3 8299 -41.877 -34.884 2.410 1.00 0.00 WAT +ATOM 31207 H2 TIP3 8299 -41.204 -33.833 1.563 1.00 0.00 WAT +ATOM 31208 OH2 TIP3 8300 -32.032 -26.141 3.397 1.00 0.00 WAT +ATOM 31209 H1 TIP3 8300 -31.428 -26.833 3.066 1.00 0.00 WAT +ATOM 31210 H2 TIP3 8300 -32.272 -26.488 4.265 1.00 0.00 WAT +ATOM 31211 OH2 TIP3 8301 -34.264 -31.718 5.081 1.00 0.00 WAT +ATOM 31212 H1 TIP3 8301 -33.934 -32.437 4.513 1.00 0.00 WAT +ATOM 31213 H2 TIP3 8301 -33.449 -31.554 5.595 1.00 0.00 WAT +ATOM 31214 OH2 TIP3 8302 -25.631 -40.126 5.537 1.00 0.00 WAT +ATOM 31215 H1 TIP3 8302 -25.322 -39.816 6.404 1.00 0.00 WAT +ATOM 31216 H2 TIP3 8302 -24.959 -39.735 4.958 1.00 0.00 WAT +ATOM 31217 OH2 TIP3 8303 -30.996 -37.404 5.596 1.00 0.00 WAT +ATOM 31218 H1 TIP3 8303 -30.771 -38.350 5.609 1.00 0.00 WAT +ATOM 31219 H2 TIP3 8303 -31.055 -37.237 4.642 1.00 0.00 WAT +ATOM 31220 OH2 TIP3 8304 -38.022 -39.410 2.699 1.00 0.00 WAT +ATOM 31221 H1 TIP3 8304 -37.835 -38.566 2.243 1.00 0.00 WAT +ATOM 31222 H2 TIP3 8304 -38.324 -39.952 1.946 1.00 0.00 WAT +ATOM 31223 OH2 TIP3 8305 -30.108 -39.219 1.020 1.00 0.00 WAT +ATOM 31224 H1 TIP3 8305 -29.500 -39.643 1.660 1.00 0.00 WAT +ATOM 31225 H2 TIP3 8305 -29.479 -38.767 0.438 1.00 0.00 WAT +ATOM 31226 OH2 TIP3 8306 -41.390 -36.627 3.200 1.00 0.00 WAT +ATOM 31227 H1 TIP3 8306 -40.803 -37.051 3.849 1.00 0.00 WAT +ATOM 31228 H2 TIP3 8306 -41.202 -37.163 2.411 1.00 0.00 WAT +ATOM 31229 OH2 TIP3 8307 -35.935 -35.255 2.635 1.00 0.00 WAT +ATOM 31230 H1 TIP3 8307 -35.215 -35.796 3.015 1.00 0.00 WAT +ATOM 31231 H2 TIP3 8307 -36.432 -35.930 2.137 1.00 0.00 WAT +ATOM 31232 OH2 TIP3 8308 -24.723 -38.405 8.188 1.00 0.00 WAT +ATOM 31233 H1 TIP3 8308 -25.601 -38.029 8.030 1.00 0.00 WAT +ATOM 31234 H2 TIP3 8308 -24.864 -39.040 8.896 1.00 0.00 WAT +ATOM 31235 OH2 TIP3 8309 -39.173 -40.512 6.894 1.00 0.00 WAT +ATOM 31236 H1 TIP3 8309 -39.574 -40.095 6.116 1.00 0.00 WAT +ATOM 31237 H2 TIP3 8309 -39.869 -40.342 7.557 1.00 0.00 WAT +ATOM 31238 OH2 TIP3 8310 -31.721 -30.836 0.233 1.00 0.00 WAT +ATOM 31239 H1 TIP3 8310 -31.997 -31.030 -0.666 1.00 0.00 WAT +ATOM 31240 H2 TIP3 8310 -32.150 -29.979 0.406 1.00 0.00 WAT +ATOM 31241 OH2 TIP3 8311 -36.257 -32.701 6.946 1.00 0.00 WAT +ATOM 31242 H1 TIP3 8311 -36.979 -32.090 7.204 1.00 0.00 WAT +ATOM 31243 H2 TIP3 8311 -35.623 -32.102 6.509 1.00 0.00 WAT +ATOM 31244 OH2 TIP3 8312 -28.235 -40.151 3.050 1.00 0.00 WAT +ATOM 31245 H1 TIP3 8312 -28.731 -40.576 3.761 1.00 0.00 WAT +ATOM 31246 H2 TIP3 8312 -27.692 -39.518 3.552 1.00 0.00 WAT +ATOM 31247 OH2 TIP3 8313 -39.584 -38.503 4.759 1.00 0.00 WAT +ATOM 31248 H1 TIP3 8313 -38.932 -37.926 5.209 1.00 0.00 WAT +ATOM 31249 H2 TIP3 8313 -39.020 -38.877 4.045 1.00 0.00 WAT +ATOM 31250 OH2 TIP3 8314 -38.279 -30.834 7.681 1.00 0.00 WAT +ATOM 31251 H1 TIP3 8314 -38.294 -29.918 7.349 1.00 0.00 WAT +ATOM 31252 H2 TIP3 8314 -39.163 -30.882 8.088 1.00 0.00 WAT +ATOM 31253 OH2 TIP3 8315 -41.829 -31.192 -1.417 1.00 0.00 WAT +ATOM 31254 H1 TIP3 8315 -42.638 -31.010 -1.936 1.00 0.00 WAT +ATOM 31255 H2 TIP3 8315 -41.921 -30.584 -0.665 1.00 0.00 WAT +ATOM 31256 OH2 TIP3 8316 -28.516 -29.679 5.328 1.00 0.00 WAT +ATOM 31257 H1 TIP3 8316 -29.481 -29.539 5.332 1.00 0.00 WAT +ATOM 31258 H2 TIP3 8316 -28.210 -28.832 4.958 1.00 0.00 WAT +ATOM 31259 OH2 TIP3 8317 -28.070 -41.112 7.022 1.00 0.00 WAT +ATOM 31260 H1 TIP3 8317 -28.866 -40.757 6.595 1.00 0.00 WAT +ATOM 31261 H2 TIP3 8317 -27.393 -40.958 6.339 1.00 0.00 WAT +ATOM 31262 OH2 TIP3 8318 -34.959 43.814 4.154 1.00 0.00 WAT +ATOM 31263 H1 TIP3 8318 -35.024 42.854 4.147 1.00 0.00 WAT +ATOM 31264 H2 TIP3 8318 -35.863 44.117 4.367 1.00 0.00 WAT +ATOM 31265 OH2 TIP3 8319 -30.203 -27.731 1.888 1.00 0.00 WAT +ATOM 31266 H1 TIP3 8319 -29.718 -28.525 1.585 1.00 0.00 WAT +ATOM 31267 H2 TIP3 8319 -29.512 -27.045 1.793 1.00 0.00 WAT +ATOM 31268 OH2 TIP3 8320 -28.764 -29.869 0.518 1.00 0.00 WAT +ATOM 31269 H1 TIP3 8320 -29.249 -30.338 -0.175 1.00 0.00 WAT +ATOM 31270 H2 TIP3 8320 -28.811 -30.513 1.252 1.00 0.00 WAT +ATOM 31271 OH2 TIP3 8321 -27.226 -31.055 9.007 1.00 0.00 WAT +ATOM 31272 H1 TIP3 8321 -27.311 -31.690 8.272 1.00 0.00 WAT +ATOM 31273 H2 TIP3 8321 -27.091 -30.215 8.525 1.00 0.00 WAT +ATOM 31274 OH2 TIP3 8322 -32.966 -34.155 -1.303 1.00 0.00 WAT +ATOM 31275 H1 TIP3 8322 -33.612 -33.532 -1.686 1.00 0.00 WAT +ATOM 31276 H2 TIP3 8322 -32.232 -34.095 -1.936 1.00 0.00 WAT +ATOM 31277 OH2 TIP3 8323 -32.668 -35.956 -4.253 1.00 0.00 WAT +ATOM 31278 H1 TIP3 8323 -31.985 -35.645 -3.631 1.00 0.00 WAT +ATOM 31279 H2 TIP3 8323 -32.137 -36.526 -4.828 1.00 0.00 WAT +ATOM 31280 OH2 TIP3 8324 -25.458 -34.873 6.986 1.00 0.00 WAT +ATOM 31281 H1 TIP3 8324 -26.173 -34.209 7.017 1.00 0.00 WAT +ATOM 31282 H2 TIP3 8324 -24.960 -34.578 6.199 1.00 0.00 WAT +ATOM 31283 OH2 TIP3 8325 -29.444 -34.157 -0.221 1.00 0.00 WAT +ATOM 31284 H1 TIP3 8325 -30.117 -33.934 0.462 1.00 0.00 WAT +ATOM 31285 H2 TIP3 8325 -28.823 -34.698 0.302 1.00 0.00 WAT +ATOM 31286 OH2 TIP3 8326 -29.605 -35.621 8.613 1.00 0.00 WAT +ATOM 31287 H1 TIP3 8326 -29.536 -34.806 9.137 1.00 0.00 WAT +ATOM 31288 H2 TIP3 8326 -30.237 -35.312 7.941 1.00 0.00 WAT +ATOM 31289 OH2 TIP3 8327 -37.835 -33.370 1.550 1.00 0.00 WAT +ATOM 31290 H1 TIP3 8327 -38.152 -33.810 0.737 1.00 0.00 WAT +ATOM 31291 H2 TIP3 8327 -37.180 -34.010 1.882 1.00 0.00 WAT +ATOM 31292 OH2 TIP3 8328 -36.491 -29.993 4.302 1.00 0.00 WAT +ATOM 31293 H1 TIP3 8328 -36.574 -30.350 3.407 1.00 0.00 WAT +ATOM 31294 H2 TIP3 8328 -35.679 -30.439 4.617 1.00 0.00 WAT +ATOM 31295 OH2 TIP3 8329 -37.281 -34.538 5.034 1.00 0.00 WAT +ATOM 31296 H1 TIP3 8329 -36.695 -34.530 4.252 1.00 0.00 WAT +ATOM 31297 H2 TIP3 8329 -36.856 -33.889 5.627 1.00 0.00 WAT +ATOM 31298 OH2 TIP3 8330 -31.352 -29.035 5.617 1.00 0.00 WAT +ATOM 31299 H1 TIP3 8330 -31.288 -28.372 6.325 1.00 0.00 WAT +ATOM 31300 H2 TIP3 8330 -31.535 -29.863 6.096 1.00 0.00 WAT +ATOM 31301 OH2 TIP3 8331 -36.424 -30.255 9.880 1.00 0.00 WAT +ATOM 31302 H1 TIP3 8331 -36.935 -29.582 10.363 1.00 0.00 WAT +ATOM 31303 H2 TIP3 8331 -37.058 -30.510 9.183 1.00 0.00 WAT +ATOM 31304 OH2 TIP3 8332 -30.487 -34.710 -2.759 1.00 0.00 WAT +ATOM 31305 H1 TIP3 8332 -30.014 -34.429 -1.947 1.00 0.00 WAT +ATOM 31306 H2 TIP3 8332 -29.987 -34.200 -3.445 1.00 0.00 WAT +ATOM 31307 OH2 TIP3 8333 -39.560 -33.902 9.040 1.00 0.00 WAT +ATOM 31308 H1 TIP3 8333 -39.474 -33.290 9.793 1.00 0.00 WAT +ATOM 31309 H2 TIP3 8333 -40.528 -33.931 8.927 1.00 0.00 WAT +ATOM 31310 OH2 TIP3 8334 -33.048 -28.100 0.806 1.00 0.00 WAT +ATOM 31311 H1 TIP3 8334 -32.542 -27.813 1.576 1.00 0.00 WAT +ATOM 31312 H2 TIP3 8334 -33.527 -27.300 0.545 1.00 0.00 WAT +ATOM 31313 OH2 TIP3 8335 -38.357 -28.078 10.716 1.00 0.00 WAT +ATOM 31314 H1 TIP3 8335 -38.424 -28.031 9.746 1.00 0.00 WAT +ATOM 31315 H2 TIP3 8335 -39.272 -28.268 10.989 1.00 0.00 WAT +ATOM 31316 OH2 TIP3 8336 -27.282 -43.245 -3.534 1.00 0.00 WAT +ATOM 31317 H1 TIP3 8336 -27.714 -43.221 -2.668 1.00 0.00 WAT +ATOM 31318 H2 TIP3 8336 -26.518 -42.676 -3.359 1.00 0.00 WAT +ATOM 31319 OH2 TIP3 8337 -38.932 -34.638 -0.918 1.00 0.00 WAT +ATOM 31320 H1 TIP3 8337 -39.160 -33.873 -1.471 1.00 0.00 WAT +ATOM 31321 H2 TIP3 8337 -39.621 -35.275 -1.161 1.00 0.00 WAT +ATOM 31322 OH2 TIP3 8338 -25.655 -28.779 -4.709 1.00 0.00 WAT +ATOM 31323 H1 TIP3 8338 -25.478 -27.852 -4.465 1.00 0.00 WAT +ATOM 31324 H2 TIP3 8338 -24.792 -29.202 -4.524 1.00 0.00 WAT +ATOM 31325 OH2 TIP3 8339 -42.673 -31.804 7.608 1.00 0.00 WAT +ATOM 31326 H1 TIP3 8339 -42.867 -32.148 6.720 1.00 0.00 WAT +ATOM 31327 H2 TIP3 8339 -43.064 -32.499 8.167 1.00 0.00 WAT +ATOM 31328 OH2 TIP3 8340 -42.810 -29.004 4.581 1.00 0.00 WAT +ATOM 31329 H1 TIP3 8340 -41.968 -29.440 4.763 1.00 0.00 WAT +ATOM 31330 H2 TIP3 8340 -42.981 -28.531 5.402 1.00 0.00 WAT +ATOM 31331 OH2 TIP3 8341 -24.414 -28.421 10.559 1.00 0.00 WAT +ATOM 31332 H1 TIP3 8341 -24.522 -29.358 10.318 1.00 0.00 WAT +ATOM 31333 H2 TIP3 8341 -25.335 -28.184 10.803 1.00 0.00 WAT +ATOM 31334 OH2 TIP3 8342 -33.776 -29.197 9.316 1.00 0.00 WAT +ATOM 31335 H1 TIP3 8342 -33.697 -28.371 9.834 1.00 0.00 WAT +ATOM 31336 H2 TIP3 8342 -34.679 -29.492 9.549 1.00 0.00 WAT +ATOM 31337 OH2 TIP3 8343 -33.540 -25.373 -0.719 1.00 0.00 WAT +ATOM 31338 H1 TIP3 8343 -33.464 -25.282 -1.684 1.00 0.00 WAT +ATOM 31339 H2 TIP3 8343 -33.431 -24.462 -0.403 1.00 0.00 WAT +ATOM 31340 OH2 TIP3 8344 -39.787 -26.234 0.929 1.00 0.00 WAT +ATOM 31341 H1 TIP3 8344 -39.530 -26.657 1.773 1.00 0.00 WAT +ATOM 31342 H2 TIP3 8344 -40.554 -26.785 0.699 1.00 0.00 WAT +ATOM 31343 OH2 TIP3 8345 -30.201 -25.965 -3.531 1.00 0.00 WAT +ATOM 31344 H1 TIP3 8345 -29.610 -26.605 -3.974 1.00 0.00 WAT +ATOM 31345 H2 TIP3 8345 -30.238 -26.338 -2.626 1.00 0.00 WAT +ATOM 31346 OH2 TIP3 8346 -30.806 -26.532 -0.738 1.00 0.00 WAT +ATOM 31347 H1 TIP3 8346 -31.755 -26.425 -0.563 1.00 0.00 WAT +ATOM 31348 H2 TIP3 8346 -30.590 -27.227 -0.091 1.00 0.00 WAT +ATOM 31349 OH2 TIP3 8347 -27.628 -37.077 10.922 1.00 0.00 WAT +ATOM 31350 H1 TIP3 8347 -28.118 -36.683 10.187 1.00 0.00 WAT +ATOM 31351 H2 TIP3 8347 -27.550 -38.005 10.629 1.00 0.00 WAT +ATOM 31352 OH2 TIP3 8348 -40.722 -30.402 9.101 1.00 0.00 WAT +ATOM 31353 H1 TIP3 8348 -40.416 -30.985 9.819 1.00 0.00 WAT +ATOM 31354 H2 TIP3 8348 -41.467 -30.902 8.701 1.00 0.00 WAT +ATOM 31355 OH2 TIP3 8349 -37.530 -42.227 4.985 1.00 0.00 WAT +ATOM 31356 H1 TIP3 8349 -38.388 -42.302 4.541 1.00 0.00 WAT +ATOM 31357 H2 TIP3 8349 -37.632 -41.358 5.399 1.00 0.00 WAT +ATOM 31358 OH2 TIP3 8350 -32.902 -42.626 8.539 1.00 0.00 WAT +ATOM 31359 H1 TIP3 8350 -32.703 -43.084 9.361 1.00 0.00 WAT +ATOM 31360 H2 TIP3 8350 -33.853 -42.771 8.456 1.00 0.00 WAT +ATOM 31361 OH2 TIP3 8351 -29.957 -38.639 8.940 1.00 0.00 WAT +ATOM 31362 H1 TIP3 8351 -30.504 -38.747 9.739 1.00 0.00 WAT +ATOM 31363 H2 TIP3 8351 -29.976 -37.679 8.784 1.00 0.00 WAT +ATOM 31364 OH2 TIP3 8352 -28.947 -33.634 -4.764 1.00 0.00 WAT +ATOM 31365 H1 TIP3 8352 -29.136 -33.799 -5.707 1.00 0.00 WAT +ATOM 31366 H2 TIP3 8352 -28.011 -33.368 -4.811 1.00 0.00 WAT +ATOM 31367 OH2 TIP3 8353 -33.292 -39.930 -4.306 1.00 0.00 WAT +ATOM 31368 H1 TIP3 8353 -33.828 -40.037 -3.496 1.00 0.00 WAT +ATOM 31369 H2 TIP3 8353 -33.784 -40.541 -4.898 1.00 0.00 WAT +ATOM 31370 OH2 TIP3 8354 -37.613 -37.145 6.232 1.00 0.00 WAT +ATOM 31371 H1 TIP3 8354 -38.210 -37.028 6.988 1.00 0.00 WAT +ATOM 31372 H2 TIP3 8354 -37.544 -36.235 5.873 1.00 0.00 WAT +ATOM 31373 OH2 TIP3 8355 -37.695 -37.098 1.126 1.00 0.00 WAT +ATOM 31374 H1 TIP3 8355 -38.650 -37.163 0.939 1.00 0.00 WAT +ATOM 31375 H2 TIP3 8355 -37.328 -37.268 0.236 1.00 0.00 WAT +ATOM 31376 OH2 TIP3 8356 -32.062 -36.519 -0.119 1.00 0.00 WAT +ATOM 31377 H1 TIP3 8356 -32.469 -35.687 -0.444 1.00 0.00 WAT +ATOM 31378 H2 TIP3 8356 -31.379 -36.667 -0.793 1.00 0.00 WAT +ATOM 31379 OH2 TIP3 8357 -32.874 -36.312 11.235 1.00 0.00 WAT +ATOM 31380 H1 TIP3 8357 -33.380 -37.067 11.599 1.00 0.00 WAT +ATOM 31381 H2 TIP3 8357 -32.001 -36.436 11.654 1.00 0.00 WAT +ATOM 31382 OH2 TIP3 8358 -31.215 -37.115 2.674 1.00 0.00 WAT +ATOM 31383 H1 TIP3 8358 -31.500 -36.532 1.942 1.00 0.00 WAT +ATOM 31384 H2 TIP3 8358 -31.002 -37.921 2.163 1.00 0.00 WAT +ATOM 31385 OH2 TIP3 8359 -40.261 -36.968 8.065 1.00 0.00 WAT +ATOM 31386 H1 TIP3 8359 -39.948 -36.627 8.910 1.00 0.00 WAT +ATOM 31387 H2 TIP3 8359 -40.525 -37.878 8.302 1.00 0.00 WAT +ATOM 31388 OH2 TIP3 8360 -36.899 -39.395 -5.345 1.00 0.00 WAT +ATOM 31389 H1 TIP3 8360 -37.233 -39.780 -4.514 1.00 0.00 WAT +ATOM 31390 H2 TIP3 8360 -37.698 -39.280 -5.870 1.00 0.00 WAT +ATOM 31391 OH2 TIP3 8361 -43.170 -39.383 1.695 1.00 0.00 WAT +ATOM 31392 H1 TIP3 8361 -43.052 -39.698 2.610 1.00 0.00 WAT +ATOM 31393 H2 TIP3 8361 -42.931 -40.156 1.175 1.00 0.00 WAT +ATOM 31394 OH2 TIP3 8362 -42.071 -38.960 -2.455 1.00 0.00 WAT +ATOM 31395 H1 TIP3 8362 -41.499 -38.646 -3.178 1.00 0.00 WAT +ATOM 31396 H2 TIP3 8362 -42.908 -38.536 -2.664 1.00 0.00 WAT +ATOM 31397 OH2 TIP3 8363 -32.129 -35.436 7.119 1.00 0.00 WAT +ATOM 31398 H1 TIP3 8363 -31.683 -36.160 6.622 1.00 0.00 WAT +ATOM 31399 H2 TIP3 8363 -32.422 -35.899 7.914 1.00 0.00 WAT +ATOM 31400 OH2 TIP3 8364 -34.899 -39.412 2.112 1.00 0.00 WAT +ATOM 31401 H1 TIP3 8364 -35.829 -39.605 2.315 1.00 0.00 WAT +ATOM 31402 H2 TIP3 8364 -34.458 -39.712 2.923 1.00 0.00 WAT +ATOM 31403 OH2 TIP3 8365 -40.391 -38.207 0.756 1.00 0.00 WAT +ATOM 31404 H1 TIP3 8365 -41.163 -38.107 0.183 1.00 0.00 WAT +ATOM 31405 H2 TIP3 8365 -40.023 -39.055 0.441 1.00 0.00 WAT +ATOM 31406 OH2 TIP3 8366 -36.715 -37.908 -1.487 1.00 0.00 WAT +ATOM 31407 H1 TIP3 8366 -35.744 -37.857 -1.439 1.00 0.00 WAT +ATOM 31408 H2 TIP3 8366 -36.942 -37.303 -2.213 1.00 0.00 WAT +ATOM 31409 OH2 TIP3 8367 -30.561 -40.330 5.152 1.00 0.00 WAT +ATOM 31410 H1 TIP3 8367 -31.192 -40.345 5.901 1.00 0.00 WAT +ATOM 31411 H2 TIP3 8367 -31.147 -40.630 4.437 1.00 0.00 WAT +ATOM 31412 OH2 TIP3 8368 -38.253 -36.674 -3.743 1.00 0.00 WAT +ATOM 31413 H1 TIP3 8368 -38.824 -36.985 -4.460 1.00 0.00 WAT +ATOM 31414 H2 TIP3 8368 -37.429 -36.476 -4.222 1.00 0.00 WAT +ATOM 31415 OH2 TIP3 8369 -27.510 -24.550 11.823 1.00 0.00 WAT +ATOM 31416 H1 TIP3 8369 -27.283 -24.115 10.981 1.00 0.00 WAT +ATOM 31417 H2 TIP3 8369 -26.784 -24.246 12.395 1.00 0.00 WAT +ATOM 31418 OH2 TIP3 8370 -39.528 -31.962 11.243 1.00 0.00 WAT +ATOM 31419 H1 TIP3 8370 -38.896 -31.921 11.992 1.00 0.00 WAT +ATOM 31420 H2 TIP3 8370 -40.369 -31.848 11.736 1.00 0.00 WAT +ATOM 31421 OH2 TIP3 8371 -33.894 -36.942 3.966 1.00 0.00 WAT +ATOM 31422 H1 TIP3 8371 -33.158 -37.361 3.494 1.00 0.00 WAT +ATOM 31423 H2 TIP3 8371 -34.042 -37.568 4.701 1.00 0.00 WAT +ATOM 31424 OH2 TIP3 8372 -38.797 -40.600 0.210 1.00 0.00 WAT +ATOM 31425 H1 TIP3 8372 -39.230 -41.463 0.326 1.00 0.00 WAT +ATOM 31426 H2 TIP3 8372 -37.944 -40.850 -0.177 1.00 0.00 WAT +ATOM 31427 OH2 TIP3 8373 -34.933 -38.506 6.230 1.00 0.00 WAT +ATOM 31428 H1 TIP3 8373 -35.674 -37.878 6.217 1.00 0.00 WAT +ATOM 31429 H2 TIP3 8373 -34.426 -38.231 7.022 1.00 0.00 WAT +ATOM 31430 OH2 TIP3 8374 -34.792 -32.078 -1.902 1.00 0.00 WAT +ATOM 31431 H1 TIP3 8374 -35.552 -32.596 -2.240 1.00 0.00 WAT +ATOM 31432 H2 TIP3 8374 -34.970 -32.044 -0.933 1.00 0.00 WAT +ATOM 31433 OH2 TIP3 8375 -27.559 -32.927 6.850 1.00 0.00 WAT +ATOM 31434 H1 TIP3 8375 -27.044 -32.395 6.204 1.00 0.00 WAT +ATOM 31435 H2 TIP3 8375 -28.405 -33.036 6.374 1.00 0.00 WAT +ATOM 31436 OH2 TIP3 8376 -30.606 -39.320 -4.269 1.00 0.00 WAT +ATOM 31437 H1 TIP3 8376 -31.589 -39.377 -4.246 1.00 0.00 WAT +ATOM 31438 H2 TIP3 8376 -30.413 -38.626 -3.606 1.00 0.00 WAT +ATOM 31439 OH2 TIP3 8377 -33.163 -32.096 9.426 1.00 0.00 WAT +ATOM 31440 H1 TIP3 8377 -33.423 -32.395 10.307 1.00 0.00 WAT +ATOM 31441 H2 TIP3 8377 -33.428 -31.164 9.428 1.00 0.00 WAT +ATOM 31442 OH2 TIP3 8378 -29.957 -37.492 -2.133 1.00 0.00 WAT +ATOM 31443 H1 TIP3 8378 -29.094 -37.626 -1.691 1.00 0.00 WAT +ATOM 31444 H2 TIP3 8378 -29.856 -36.596 -2.504 1.00 0.00 WAT +ATOM 31445 OH2 TIP3 8379 -39.781 -32.797 3.798 1.00 0.00 WAT +ATOM 31446 H1 TIP3 8379 -39.091 -32.857 3.113 1.00 0.00 WAT +ATOM 31447 H2 TIP3 8379 -39.608 -33.596 4.323 1.00 0.00 WAT +ATOM 31448 OH2 TIP3 8380 -32.382 -30.733 -2.971 1.00 0.00 WAT +ATOM 31449 H1 TIP3 8380 -32.632 -29.869 -2.584 1.00 0.00 WAT +ATOM 31450 H2 TIP3 8380 -33.136 -31.283 -2.690 1.00 0.00 WAT +ATOM 31451 OH2 TIP3 8381 -42.397 -34.252 9.483 1.00 0.00 WAT +ATOM 31452 H1 TIP3 8381 -42.304 -34.917 10.186 1.00 0.00 WAT +ATOM 31453 H2 TIP3 8381 -42.868 -34.761 8.783 1.00 0.00 WAT +ATOM 31454 OH2 TIP3 8382 -35.407 -34.936 11.184 1.00 0.00 WAT +ATOM 31455 H1 TIP3 8382 -35.744 -35.174 10.303 1.00 0.00 WAT +ATOM 31456 H2 TIP3 8382 -34.473 -35.201 11.094 1.00 0.00 WAT +ATOM 31457 OH2 TIP3 8383 -30.879 -29.530 8.899 1.00 0.00 WAT +ATOM 31458 H1 TIP3 8383 -31.841 -29.409 8.839 1.00 0.00 WAT +ATOM 31459 H2 TIP3 8383 -30.696 -29.236 9.806 1.00 0.00 WAT +ATOM 31460 OH2 TIP3 8384 -25.349 -37.450 -2.318 1.00 0.00 WAT +ATOM 31461 H1 TIP3 8384 -25.905 -37.642 -3.099 1.00 0.00 WAT +ATOM 31462 H2 TIP3 8384 -25.225 -36.489 -2.462 1.00 0.00 WAT +ATOM 31463 OH2 TIP3 8385 -24.892 -31.405 10.484 1.00 0.00 WAT +ATOM 31464 H1 TIP3 8385 -25.827 -31.195 10.279 1.00 0.00 WAT +ATOM 31465 H2 TIP3 8385 -24.550 -31.599 9.587 1.00 0.00 WAT +ATOM 31466 OH2 TIP3 8386 -27.214 -28.856 -2.277 1.00 0.00 WAT +ATOM 31467 H1 TIP3 8386 -27.333 -29.609 -1.679 1.00 0.00 WAT +ATOM 31468 H2 TIP3 8386 -26.579 -29.188 -2.927 1.00 0.00 WAT +ATOM 31469 OH2 TIP3 8387 -29.896 -33.502 5.158 1.00 0.00 WAT +ATOM 31470 H1 TIP3 8387 -30.825 -33.653 4.903 1.00 0.00 WAT +ATOM 31471 H2 TIP3 8387 -29.449 -34.217 4.661 1.00 0.00 WAT +ATOM 31472 OH2 TIP3 8388 -37.280 -29.417 1.210 1.00 0.00 WAT +ATOM 31473 H1 TIP3 8388 -36.846 -28.560 1.070 1.00 0.00 WAT +ATOM 31474 H2 TIP3 8388 -38.189 -29.223 0.948 1.00 0.00 WAT +ATOM 31475 OH2 TIP3 8389 -41.519 -34.445 -4.132 1.00 0.00 WAT +ATOM 31476 H1 TIP3 8389 -40.796 -33.912 -3.742 1.00 0.00 WAT +ATOM 31477 H2 TIP3 8389 -42.276 -33.882 -3.926 1.00 0.00 WAT +ATOM 31478 OH2 TIP3 8390 -35.431 -31.732 0.803 1.00 0.00 WAT +ATOM 31479 H1 TIP3 8390 -35.716 -30.818 0.957 1.00 0.00 WAT +ATOM 31480 H2 TIP3 8390 -36.141 -32.229 1.234 1.00 0.00 WAT +ATOM 31481 OH2 TIP3 8391 -35.263 -27.461 7.161 1.00 0.00 WAT +ATOM 31482 H1 TIP3 8391 -34.701 -26.720 6.873 1.00 0.00 WAT +ATOM 31483 H2 TIP3 8391 -34.641 -27.962 7.713 1.00 0.00 WAT +ATOM 31484 OH2 TIP3 8392 -36.815 -26.524 0.405 1.00 0.00 WAT +ATOM 31485 H1 TIP3 8392 -37.768 -26.369 0.478 1.00 0.00 WAT +ATOM 31486 H2 TIP3 8392 -36.454 -25.650 0.644 1.00 0.00 WAT +ATOM 31487 OH2 TIP3 8393 -31.859 -31.724 6.724 1.00 0.00 WAT +ATOM 31488 H1 TIP3 8393 -32.129 -31.997 7.618 1.00 0.00 WAT +ATOM 31489 H2 TIP3 8393 -31.114 -32.322 6.548 1.00 0.00 WAT +ATOM 31490 OH2 TIP3 8394 -29.711 -30.427 -4.354 1.00 0.00 WAT +ATOM 31491 H1 TIP3 8394 -29.255 -30.850 -3.605 1.00 0.00 WAT +ATOM 31492 H2 TIP3 8394 -30.629 -30.566 -4.065 1.00 0.00 WAT +ATOM 31493 OH2 TIP3 8395 -28.922 -27.139 9.130 1.00 0.00 WAT +ATOM 31494 H1 TIP3 8395 -29.671 -27.579 8.686 1.00 0.00 WAT +ATOM 31495 H2 TIP3 8395 -28.789 -26.348 8.575 1.00 0.00 WAT +ATOM 31496 OH2 TIP3 8396 -24.903 -26.050 -3.762 1.00 0.00 WAT +ATOM 31497 H1 TIP3 8396 -24.301 -25.453 -4.228 1.00 0.00 WAT +ATOM 31498 H2 TIP3 8396 -25.706 -25.496 -3.761 1.00 0.00 WAT +ATOM 31499 OH2 TIP3 8397 -41.065 -39.566 8.833 1.00 0.00 WAT +ATOM 31500 H1 TIP3 8397 -41.963 -39.244 8.645 1.00 0.00 WAT +ATOM 31501 H2 TIP3 8397 -41.240 -40.453 9.223 1.00 0.00 WAT +ATOM 31502 OH2 TIP3 8398 -28.732 -31.801 -1.950 1.00 0.00 WAT +ATOM 31503 H1 TIP3 8398 -28.978 -32.534 -1.360 1.00 0.00 WAT +ATOM 31504 H2 TIP3 8398 -27.760 -31.817 -1.889 1.00 0.00 WAT +ATOM 31505 OH2 TIP3 8399 -41.294 -27.992 7.259 1.00 0.00 WAT +ATOM 31506 H1 TIP3 8399 -41.088 -28.933 7.347 1.00 0.00 WAT +ATOM 31507 H2 TIP3 8399 -40.942 -27.659 8.092 1.00 0.00 WAT +ATOM 31508 OH2 TIP3 8400 -35.466 -29.362 -5.783 1.00 0.00 WAT +ATOM 31509 H1 TIP3 8400 -35.138 -30.144 -6.263 1.00 0.00 WAT +ATOM 31510 H2 TIP3 8400 -35.863 -29.774 -4.997 1.00 0.00 WAT +ATOM 31511 OH2 TIP3 8401 -36.635 -29.861 -3.044 1.00 0.00 WAT +ATOM 31512 H1 TIP3 8401 -36.096 -30.387 -2.434 1.00 0.00 WAT +ATOM 31513 H2 TIP3 8401 -36.471 -28.947 -2.731 1.00 0.00 WAT +ATOM 31514 OH2 TIP3 8402 -39.871 -32.443 -2.724 1.00 0.00 WAT +ATOM 31515 H1 TIP3 8402 -40.564 -32.025 -2.157 1.00 0.00 WAT +ATOM 31516 H2 TIP3 8402 -39.361 -31.649 -2.951 1.00 0.00 WAT +ATOM 31517 OH2 TIP3 8403 -32.168 -40.063 7.456 1.00 0.00 WAT +ATOM 31518 H1 TIP3 8403 -31.512 -39.797 8.117 1.00 0.00 WAT +ATOM 31519 H2 TIP3 8403 -32.492 -40.918 7.795 1.00 0.00 WAT +ATOM 31520 OH2 TIP3 8404 -31.348 -40.573 -1.406 1.00 0.00 WAT +ATOM 31521 H1 TIP3 8404 -31.286 -39.973 -2.165 1.00 0.00 WAT +ATOM 31522 H2 TIP3 8404 -30.997 -40.018 -0.689 1.00 0.00 WAT +ATOM 31523 OH2 TIP3 8405 -33.661 -28.233 -2.431 1.00 0.00 WAT +ATOM 31524 H1 TIP3 8405 -34.468 -27.724 -2.256 1.00 0.00 WAT +ATOM 31525 H2 TIP3 8405 -33.284 -27.757 -3.184 1.00 0.00 WAT +ATOM 31526 OH2 TIP3 8406 -34.027 -38.518 -0.409 1.00 0.00 WAT +ATOM 31527 H1 TIP3 8406 -33.290 -37.884 -0.279 1.00 0.00 WAT +ATOM 31528 H2 TIP3 8406 -34.320 -38.671 0.513 1.00 0.00 WAT +ATOM 31529 OH2 TIP3 8407 -33.718 -37.621 8.725 1.00 0.00 WAT +ATOM 31530 H1 TIP3 8407 -33.605 -37.098 9.536 1.00 0.00 WAT +ATOM 31531 H2 TIP3 8407 -33.119 -38.363 8.875 1.00 0.00 WAT +ATOM 31532 OH2 TIP3 8408 -33.298 -41.738 0.591 1.00 0.00 WAT +ATOM 31533 H1 TIP3 8408 -33.644 -40.989 1.107 1.00 0.00 WAT +ATOM 31534 H2 TIP3 8408 -32.753 -41.283 -0.076 1.00 0.00 WAT +ATOM 31535 OH2 TIP3 8409 -36.465 -27.149 -2.435 1.00 0.00 WAT +ATOM 31536 H1 TIP3 8409 -36.524 -26.332 -2.971 1.00 0.00 WAT +ATOM 31537 H2 TIP3 8409 -36.573 -26.807 -1.528 1.00 0.00 WAT +ATOM 31538 OH2 TIP3 8410 -37.754 -40.505 -2.895 1.00 0.00 WAT +ATOM 31539 H1 TIP3 8410 -37.716 -39.678 -2.380 1.00 0.00 WAT +ATOM 31540 H2 TIP3 8410 -36.877 -40.877 -2.673 1.00 0.00 WAT +ATOM 31541 OH2 TIP3 8411 -27.347 -39.626 9.558 1.00 0.00 WAT +ATOM 31542 H1 TIP3 8411 -28.301 -39.523 9.382 1.00 0.00 WAT +ATOM 31543 H2 TIP3 8411 -27.053 -39.865 8.668 1.00 0.00 WAT +ATOM 31544 OH2 TIP3 8412 -28.894 -35.744 3.641 1.00 0.00 WAT +ATOM 31545 H1 TIP3 8412 -29.703 -36.208 3.361 1.00 0.00 WAT +ATOM 31546 H2 TIP3 8412 -28.393 -36.456 4.099 1.00 0.00 WAT +ATOM 31547 OH2 TIP3 8413 -39.313 -29.570 -3.903 1.00 0.00 WAT +ATOM 31548 H1 TIP3 8413 -38.545 -29.150 -3.480 1.00 0.00 WAT +ATOM 31549 H2 TIP3 8413 -38.855 -30.133 -4.542 1.00 0.00 WAT +ATOM 31550 OH2 TIP3 8414 -41.121 -37.455 -4.764 1.00 0.00 WAT +ATOM 31551 H1 TIP3 8414 -41.063 -36.514 -4.535 1.00 0.00 WAT +ATOM 31552 H2 TIP3 8414 -41.965 -37.539 -5.217 1.00 0.00 WAT +ATOM 31553 OH2 TIP3 8415 -27.878 -26.881 5.030 1.00 0.00 WAT +ATOM 31554 H1 TIP3 8415 -28.041 -26.070 4.512 1.00 0.00 WAT +ATOM 31555 H2 TIP3 8415 -26.941 -26.750 5.253 1.00 0.00 WAT +ATOM 31556 OH2 TIP3 8416 -40.757 -42.364 4.208 1.00 0.00 WAT +ATOM 31557 H1 TIP3 8416 -40.604 -42.558 3.272 1.00 0.00 WAT +ATOM 31558 H2 TIP3 8416 -41.101 -43.218 4.512 1.00 0.00 WAT +ATOM 31559 OH2 TIP3 8417 -41.348 -28.768 0.285 1.00 0.00 WAT +ATOM 31560 H1 TIP3 8417 -42.274 -28.478 0.318 1.00 0.00 WAT +ATOM 31561 H2 TIP3 8417 -41.054 -28.412 -0.564 1.00 0.00 WAT +ATOM 31562 OH2 TIP3 8418 -42.143 -26.046 11.476 1.00 0.00 WAT +ATOM 31563 H1 TIP3 8418 -41.509 -26.039 12.217 1.00 0.00 WAT +ATOM 31564 H2 TIP3 8418 -42.140 -27.008 11.326 1.00 0.00 WAT +ATOM 31565 OH2 TIP3 8419 -37.268 -26.916 13.212 1.00 0.00 WAT +ATOM 31566 H1 TIP3 8419 -36.572 -27.560 13.417 1.00 0.00 WAT +ATOM 31567 H2 TIP3 8419 -37.501 -27.181 12.307 1.00 0.00 WAT +ATOM 31568 OH2 TIP3 8420 -33.226 -27.659 -5.270 1.00 0.00 WAT +ATOM 31569 H1 TIP3 8420 -33.965 -28.294 -5.380 1.00 0.00 WAT +ATOM 31570 H2 TIP3 8420 -32.496 -28.177 -5.648 1.00 0.00 WAT +ATOM 31571 OH2 TIP3 8421 -30.825 -28.633 11.806 1.00 0.00 WAT +ATOM 31572 H1 TIP3 8421 -31.180 -29.465 12.164 1.00 0.00 WAT +ATOM 31573 H2 TIP3 8421 -30.111 -28.422 12.432 1.00 0.00 WAT +ATOM 31574 OH2 TIP3 8422 -28.608 -27.753 -5.172 1.00 0.00 WAT +ATOM 31575 H1 TIP3 8422 -28.424 -28.544 -4.638 1.00 0.00 WAT +ATOM 31576 H2 TIP3 8422 -27.817 -27.705 -5.738 1.00 0.00 WAT +ATOM 31577 OH2 TIP3 8423 -41.998 -32.001 12.103 1.00 0.00 WAT +ATOM 31578 H1 TIP3 8423 -41.892 -32.888 11.729 1.00 0.00 WAT +ATOM 31579 H2 TIP3 8423 -42.866 -31.736 11.764 1.00 0.00 WAT +ATOM 31580 OH2 TIP3 8424 -37.820 -31.955 -5.448 1.00 0.00 WAT +ATOM 31581 H1 TIP3 8424 -37.621 -32.522 -4.684 1.00 0.00 WAT +ATOM 31582 H2 TIP3 8424 -36.954 -31.953 -5.903 1.00 0.00 WAT +ATOM 31583 OH2 TIP3 8425 -35.405 -32.160 11.897 1.00 0.00 WAT +ATOM 31584 H1 TIP3 8425 -35.681 -31.826 11.027 1.00 0.00 WAT +ATOM 31585 H2 TIP3 8425 -35.311 -33.122 11.739 1.00 0.00 WAT +ATOM 31586 OH2 TIP3 8426 -32.613 -30.619 -5.818 1.00 0.00 WAT +ATOM 31587 H1 TIP3 8426 -32.592 -30.652 -4.846 1.00 0.00 WAT +ATOM 31588 H2 TIP3 8426 -32.620 -31.577 -6.024 1.00 0.00 WAT +ATOM 31589 OH2 TIP3 8427 -30.016 -32.534 9.280 1.00 0.00 WAT +ATOM 31590 H1 TIP3 8427 -29.223 -32.015 9.073 1.00 0.00 WAT +ATOM 31591 H2 TIP3 8427 -30.698 -31.843 9.252 1.00 0.00 WAT +ATOM 31592 OH2 TIP3 8428 -41.351 -35.320 11.878 1.00 0.00 WAT +ATOM 31593 H1 TIP3 8428 -40.533 -35.838 11.752 1.00 0.00 WAT +ATOM 31594 H2 TIP3 8428 -41.223 -34.984 12.778 1.00 0.00 WAT +ATOM 31595 OH2 TIP3 8429 -36.747 -33.832 -3.115 1.00 0.00 WAT +ATOM 31596 H1 TIP3 8429 -37.325 -34.356 -2.541 1.00 0.00 WAT +ATOM 31597 H2 TIP3 8429 -36.422 -34.515 -3.737 1.00 0.00 WAT +ATOM 31598 OH2 TIP3 8430 -37.514 -36.083 9.152 1.00 0.00 WAT +ATOM 31599 H1 TIP3 8430 -38.046 -35.285 9.326 1.00 0.00 WAT +ATOM 31600 H2 TIP3 8430 -36.840 -35.739 8.536 1.00 0.00 WAT +ATOM 31601 OH2 TIP3 8431 -35.762 -35.827 -4.844 1.00 0.00 WAT +ATOM 31602 H1 TIP3 8431 -35.785 -35.752 -5.816 1.00 0.00 WAT +ATOM 31603 H2 TIP3 8431 -34.801 -35.878 -4.678 1.00 0.00 WAT +ATOM 31604 OH2 TIP3 8432 -32.191 -33.374 12.712 1.00 0.00 WAT +ATOM 31605 H1 TIP3 8432 -31.294 -33.558 12.393 1.00 0.00 WAT +ATOM 31606 H2 TIP3 8432 -32.434 -34.224 13.105 1.00 0.00 WAT +ATOM 31607 OH2 TIP3 8433 -26.263 -33.327 -5.517 1.00 0.00 WAT +ATOM 31608 H1 TIP3 8433 -26.335 -33.734 -6.393 1.00 0.00 WAT +ATOM 31609 H2 TIP3 8433 -26.328 -32.377 -5.752 1.00 0.00 WAT +ATOM 31610 OH2 TIP3 8434 -36.939 -38.812 10.262 1.00 0.00 WAT +ATOM 31611 H1 TIP3 8434 -36.817 -39.442 9.532 1.00 0.00 WAT +ATOM 31612 H2 TIP3 8434 -37.106 -37.984 9.779 1.00 0.00 WAT +ATOM 31613 OH2 TIP3 8435 -36.514 -40.379 7.684 1.00 0.00 WAT +ATOM 31614 H1 TIP3 8435 -35.990 -39.814 7.076 1.00 0.00 WAT +ATOM 31615 H2 TIP3 8435 -37.429 -40.260 7.347 1.00 0.00 WAT +ATOM 31616 OH2 TIP3 8436 -35.020 -34.880 8.147 1.00 0.00 WAT +ATOM 31617 H1 TIP3 8436 -34.177 -34.959 7.675 1.00 0.00 WAT +ATOM 31618 H2 TIP3 8436 -35.323 -34.002 7.841 1.00 0.00 WAT +ATOM 31619 OH2 TIP3 8437 -30.448 -36.932 12.933 1.00 0.00 WAT +ATOM 31620 H1 TIP3 8437 -30.229 -37.866 13.072 1.00 0.00 WAT +ATOM 31621 H2 TIP3 8437 -29.564 -36.536 12.869 1.00 0.00 WAT +ATOM 31622 OH2 TIP3 8438 -29.481 -34.148 11.418 1.00 0.00 WAT +ATOM 31623 H1 TIP3 8438 -29.816 -33.534 10.730 1.00 0.00 WAT +ATOM 31624 H2 TIP3 8438 -28.576 -34.297 11.075 1.00 0.00 WAT +ATOM 31625 OH2 TIP3 8439 -38.808 -36.915 12.065 1.00 0.00 WAT +ATOM 31626 H1 TIP3 8439 -39.279 -37.767 12.063 1.00 0.00 WAT +ATOM 31627 H2 TIP3 8439 -37.972 -37.155 11.636 1.00 0.00 WAT +ATOM 31628 OH2 TIP3 8440 -36.074 -42.767 8.931 1.00 0.00 WAT +ATOM 31629 H1 TIP3 8440 -35.909 -41.875 8.561 1.00 0.00 WAT +ATOM 31630 H2 TIP3 8440 -36.993 -42.871 8.657 1.00 0.00 WAT +ATOM 31631 OH2 TIP3 8441 -34.570 -38.440 11.860 1.00 0.00 WAT +ATOM 31632 H1 TIP3 8441 -34.879 -38.707 12.743 1.00 0.00 WAT +ATOM 31633 H2 TIP3 8441 -35.376 -38.632 11.340 1.00 0.00 WAT +ATOM 31634 OH2 TIP3 8442 -31.972 -39.445 10.852 1.00 0.00 WAT +ATOM 31635 H1 TIP3 8442 -32.863 -39.315 11.225 1.00 0.00 WAT +ATOM 31636 H2 TIP3 8442 -31.594 -40.105 11.464 1.00 0.00 WAT +ATOM 31637 OH2 TIP3 8443 -30.322 -41.355 12.510 1.00 0.00 WAT +ATOM 31638 H1 TIP3 8443 -30.345 -42.231 12.911 1.00 0.00 WAT +ATOM 31639 H2 TIP3 8443 -30.379 -40.765 13.279 1.00 0.00 WAT +ATOM 31640 OH2 TIP3 8444 -40.022 -39.522 11.945 1.00 0.00 WAT +ATOM 31641 H1 TIP3 8444 -40.228 -40.177 11.256 1.00 0.00 WAT +ATOM 31642 H2 TIP3 8444 -40.401 -39.930 12.741 1.00 0.00 WAT +ATOM 31643 OH2 TIP3 8445 -34.952 -41.475 12.980 1.00 0.00 WAT +ATOM 31644 H1 TIP3 8445 -35.171 -42.287 12.489 1.00 0.00 WAT +ATOM 31645 H2 TIP3 8445 -35.794 -40.991 13.002 1.00 0.00 WAT +ATOM 31646 OH2 TIP3 8446 -36.004 -24.574 -3.737 1.00 0.00 WAT +ATOM 31647 H1 TIP3 8446 -35.045 -24.500 -3.622 1.00 0.00 WAT +ATOM 31648 H2 TIP3 8446 -36.112 -24.180 -4.611 1.00 0.00 WAT +ATOM 31649 OH2 TIP3 8447 -41.989 -29.695 -4.664 1.00 0.00 WAT +ATOM 31650 H1 TIP3 8447 -41.216 -29.752 -4.069 1.00 0.00 WAT +ATOM 31651 H2 TIP3 8447 -42.172 -30.624 -4.865 1.00 0.00 WAT +ATOM 31652 OH2 TIP3 8448 -42.753 -26.899 2.479 1.00 0.00 WAT +ATOM 31653 H1 TIP3 8448 -42.763 -27.803 2.841 1.00 0.00 WAT +ATOM 31654 H2 TIP3 8448 -42.411 -26.419 3.247 1.00 0.00 WAT +ATOM 31655 OH2 TIP3 8449 -25.176 -25.747 5.526 1.00 0.00 WAT +ATOM 31656 H1 TIP3 8449 -24.972 -25.714 6.472 1.00 0.00 WAT +ATOM 31657 H2 TIP3 8449 -24.350 -25.412 5.147 1.00 0.00 WAT +ATOM 31658 OH2 TIP3 8450 -25.302 -26.276 8.428 1.00 0.00 WAT +ATOM 31659 H1 TIP3 8450 -25.751 -27.039 8.022 1.00 0.00 WAT +ATOM 31660 H2 TIP3 8450 -24.673 -26.730 9.009 1.00 0.00 WAT +ATOM 31661 OH2 TIP3 8451 -27.261 -30.862 12.704 1.00 0.00 WAT +ATOM 31662 H1 TIP3 8451 -28.148 -30.766 13.087 1.00 0.00 WAT +ATOM 31663 H2 TIP3 8451 -26.813 -30.044 12.978 1.00 0.00 WAT +ATOM 31664 OH2 TIP3 8452 -25.872 -31.941 -1.576 1.00 0.00 WAT +ATOM 31665 H1 TIP3 8452 -24.966 -31.597 -1.437 1.00 0.00 WAT +ATOM 31666 H2 TIP3 8452 -25.924 -32.575 -0.838 1.00 0.00 WAT +ATOM 31667 OH2 TIP3 8453 -25.356 -33.996 0.432 1.00 0.00 WAT +ATOM 31668 H1 TIP3 8453 -26.048 -34.546 0.845 1.00 0.00 WAT +ATOM 31669 H2 TIP3 8453 -24.694 -33.902 1.142 1.00 0.00 WAT +ATOM 31670 OH2 TIP3 8454 -25.684 -31.502 5.359 1.00 0.00 WAT +ATOM 31671 H1 TIP3 8454 -25.035 -31.991 4.828 1.00 0.00 WAT +ATOM 31672 H2 TIP3 8454 -25.517 -30.585 5.078 1.00 0.00 WAT +ATOM 31673 OH2 TIP3 8455 -26.963 -28.595 7.632 1.00 0.00 WAT +ATOM 31674 H1 TIP3 8455 -27.694 -28.167 8.110 1.00 0.00 WAT +ATOM 31675 H2 TIP3 8455 -27.411 -28.938 6.834 1.00 0.00 WAT +ATOM 31676 OH2 TIP3 8456 -25.172 -34.560 -3.014 1.00 0.00 WAT +ATOM 31677 H1 TIP3 8456 -25.658 -34.253 -3.802 1.00 0.00 WAT +ATOM 31678 H2 TIP3 8456 -25.260 -33.791 -2.430 1.00 0.00 WAT +ATOM 31679 OH2 TIP3 8457 -26.888 -36.985 -4.771 1.00 0.00 WAT +ATOM 31680 H1 TIP3 8457 -26.599 -36.368 -5.459 1.00 0.00 WAT +ATOM 31681 H2 TIP3 8457 -27.115 -37.782 -5.282 1.00 0.00 WAT +ATOM 31682 OH2 TIP3 8458 -27.486 -35.830 1.204 1.00 0.00 WAT +ATOM 31683 H1 TIP3 8458 -27.534 -36.785 1.037 1.00 0.00 WAT +ATOM 31684 H2 TIP3 8458 -27.838 -35.753 2.113 1.00 0.00 WAT +ATOM 31685 OH2 TIP3 8459 -42.558 -33.350 5.188 1.00 0.00 WAT +ATOM 31686 H1 TIP3 8459 -42.223 -33.130 4.307 1.00 0.00 WAT +ATOM 31687 H2 TIP3 8459 -41.762 -33.770 5.585 1.00 0.00 WAT +ATOM 31688 OH2 TIP3 8460 -26.836 -33.939 10.445 1.00 0.00 WAT +ATOM 31689 H1 TIP3 8460 -26.078 -34.550 10.472 1.00 0.00 WAT +ATOM 31690 H2 TIP3 8460 -26.416 -33.117 10.154 1.00 0.00 WAT +ATOM 31691 OH2 TIP3 8461 -25.215 -35.942 11.579 1.00 0.00 WAT +ATOM 31692 H1 TIP3 8461 -26.064 -36.367 11.339 1.00 0.00 WAT +ATOM 31693 H2 TIP3 8461 -24.601 -36.695 11.493 1.00 0.00 WAT +ATOM 31694 OH2 TIP3 8462 -27.451 -39.700 -5.607 1.00 0.00 WAT +ATOM 31695 H1 TIP3 8462 -26.853 -40.119 -4.962 1.00 0.00 WAT +ATOM 31696 H2 TIP3 8462 -28.275 -40.189 -5.487 1.00 0.00 WAT +ATOM 31697 OH2 TIP3 8463 -27.641 -38.273 -0.593 1.00 0.00 WAT +ATOM 31698 H1 TIP3 8463 -27.459 -39.241 -0.543 1.00 0.00 WAT +ATOM 31699 H2 TIP3 8463 -26.821 -37.964 -1.015 1.00 0.00 WAT +ATOM 31700 OH2 TIP3 8464 -27.378 -37.742 4.800 1.00 0.00 WAT +ATOM 31701 H1 TIP3 8464 -26.402 -37.640 4.750 1.00 0.00 WAT +ATOM 31702 H2 TIP3 8464 -27.487 -37.761 5.766 1.00 0.00 WAT +ATOM 31703 OH2 TIP3 8465 -27.232 -37.077 7.667 1.00 0.00 WAT +ATOM 31704 H1 TIP3 8465 -28.059 -36.621 7.904 1.00 0.00 WAT +ATOM 31705 H2 TIP3 8465 -26.643 -36.328 7.450 1.00 0.00 WAT +ATOM 31706 OH2 TIP3 8466 -42.821 -38.378 11.450 1.00 0.00 WAT +ATOM 31707 H1 TIP3 8466 -42.003 -38.801 11.157 1.00 0.00 WAT +ATOM 31708 H2 TIP3 8466 -43.469 -39.099 11.447 1.00 0.00 WAT +ATOM 31709 OH2 TIP3 8467 -24.621 -42.940 13.152 1.00 0.00 WAT +ATOM 31710 H1 TIP3 8467 -24.026 -43.631 12.795 1.00 0.00 WAT +ATOM 31711 H2 TIP3 8467 -24.761 -42.316 12.408 1.00 0.00 WAT +ATOM 31712 OH2 TIP3 8468 -27.335 -40.985 -0.518 1.00 0.00 WAT +ATOM 31713 H1 TIP3 8468 -27.094 -41.476 0.280 1.00 0.00 WAT +ATOM 31714 H2 TIP3 8468 -27.958 -41.604 -0.943 1.00 0.00 WAT +ATOM 31715 OH2 TIP3 8469 -41.938 -39.892 4.374 1.00 0.00 WAT +ATOM 31716 H1 TIP3 8469 -41.602 -40.812 4.426 1.00 0.00 WAT +ATOM 31717 H2 TIP3 8469 -41.136 -39.378 4.568 1.00 0.00 WAT +ATOM 31718 OH2 TIP3 8470 -43.328 -37.266 5.270 1.00 0.00 WAT +ATOM 31719 H1 TIP3 8470 -42.945 -37.785 4.547 1.00 0.00 WAT +ATOM 31720 H2 TIP3 8470 -43.131 -36.367 4.984 1.00 0.00 WAT +ATOM 31721 OH2 TIP3 8471 -25.349 -41.016 11.285 1.00 0.00 WAT +ATOM 31722 H1 TIP3 8471 -26.233 -40.612 11.233 1.00 0.00 WAT +ATOM 31723 H2 TIP3 8471 -25.290 -41.402 10.398 1.00 0.00 WAT +ATOM 31724 OH2 TIP3 8472 -25.212 -40.578 -3.911 1.00 0.00 WAT +ATOM 31725 H1 TIP3 8472 -25.010 -41.423 -4.364 1.00 0.00 WAT +ATOM 31726 H2 TIP3 8472 -24.352 -40.135 -3.879 1.00 0.00 WAT +ATOM 31727 OH2 TIP3 8473 -43.157 -41.082 -1.163 1.00 0.00 WAT +ATOM 31728 H1 TIP3 8473 -43.985 -40.792 -1.566 1.00 0.00 WAT +ATOM 31729 H2 TIP3 8473 -42.545 -40.397 -1.521 1.00 0.00 WAT +ATOM 31730 OH2 TIP3 8474 -28.282 -25.678 1.330 1.00 0.00 WAT +ATOM 31731 H1 TIP3 8474 -27.807 -25.918 0.514 1.00 0.00 WAT +ATOM 31732 H2 TIP3 8474 -27.574 -25.269 1.844 1.00 0.00 WAT +ATOM 31733 OH2 TIP3 8475 -42.917 -41.639 7.193 1.00 0.00 WAT +ATOM 31734 H1 TIP3 8475 -43.500 -42.254 7.690 1.00 0.00 WAT +ATOM 31735 H2 TIP3 8475 -43.280 -41.671 6.298 1.00 0.00 WAT +ATOM 31736 OH2 TIP3 8476 -41.198 -28.613 11.823 1.00 0.00 WAT +ATOM 31737 H1 TIP3 8476 -41.677 -29.264 11.301 1.00 0.00 WAT +ATOM 31738 H2 TIP3 8476 -41.339 -28.961 12.734 1.00 0.00 WAT +ATOM 31739 OH2 TIP3 8477 -38.019 -27.961 7.744 1.00 0.00 WAT +ATOM 31740 H1 TIP3 8477 -38.324 -27.127 7.344 1.00 0.00 WAT +ATOM 31741 H2 TIP3 8477 -37.061 -27.884 7.558 1.00 0.00 WAT +ATOM 31742 OH2 TIP3 8478 -33.529 -26.669 10.733 1.00 0.00 WAT +ATOM 31743 H1 TIP3 8478 -33.352 -26.845 11.670 1.00 0.00 WAT +ATOM 31744 H2 TIP3 8478 -32.700 -26.222 10.460 1.00 0.00 WAT +ATOM 31745 OH2 TIP3 8479 -31.253 -25.230 9.974 1.00 0.00 WAT +ATOM 31746 H1 TIP3 8479 -30.544 -25.841 9.721 1.00 0.00 WAT +ATOM 31747 H2 TIP3 8479 -30.925 -24.905 10.834 1.00 0.00 WAT +ATOM 31748 OH2 TIP3 8480 -26.771 -42.824 9.193 1.00 0.00 WAT +ATOM 31749 H1 TIP3 8480 -27.102 -42.105 8.630 1.00 0.00 WAT +ATOM 31750 H2 TIP3 8480 -26.628 -43.508 8.521 1.00 0.00 WAT +ATOM 31751 OH2 TIP3 8481 -40.697 -24.916 7.978 1.00 0.00 WAT +ATOM 31752 H1 TIP3 8481 -41.373 -24.411 7.492 1.00 0.00 WAT +ATOM 31753 H2 TIP3 8481 -41.020 -24.849 8.882 1.00 0.00 WAT +ATOM 31754 OH2 TIP3 8482 -38.186 -25.256 6.610 1.00 0.00 WAT +ATOM 31755 H1 TIP3 8482 -39.049 -25.055 7.024 1.00 0.00 WAT +ATOM 31756 H2 TIP3 8482 -38.135 -24.580 5.910 1.00 0.00 WAT +ATOM 31757 OH2 TIP3 8483 -33.430 -25.255 6.169 1.00 0.00 WAT +ATOM 31758 H1 TIP3 8483 -33.773 -24.803 5.378 1.00 0.00 WAT +ATOM 31759 H2 TIP3 8483 -33.310 -24.507 6.782 1.00 0.00 WAT +ATOM 31760 OH2 TIP3 8484 -31.085 -26.549 7.091 1.00 0.00 WAT +ATOM 31761 H1 TIP3 8484 -31.917 -26.172 6.749 1.00 0.00 WAT +ATOM 31762 H2 TIP3 8484 -30.491 -25.783 7.046 1.00 0.00 WAT +ATOM 31763 OH2 TIP3 8485 -28.590 -24.817 7.252 1.00 0.00 WAT +ATOM 31764 H1 TIP3 8485 -28.586 -23.859 7.051 1.00 0.00 WAT +ATOM 31765 H2 TIP3 8485 -28.255 -25.172 6.411 1.00 0.00 WAT +ATOM 31766 OH2 TIP3 8486 -41.239 -26.153 4.951 1.00 0.00 WAT +ATOM 31767 H1 TIP3 8486 -41.332 -26.621 5.806 1.00 0.00 WAT +ATOM 31768 H2 TIP3 8486 -40.491 -26.642 4.558 1.00 0.00 WAT +ATOM 31769 OH2 TIP3 8487 -39.106 -27.426 3.466 1.00 0.00 WAT +ATOM 31770 H1 TIP3 8487 -39.257 -28.358 3.724 1.00 0.00 WAT +ATOM 31771 H2 TIP3 8487 -38.193 -27.280 3.781 1.00 0.00 WAT +ATOM 31772 OH2 TIP3 8488 -36.321 -27.016 4.319 1.00 0.00 WAT +ATOM 31773 H1 TIP3 8488 -36.119 -27.939 4.086 1.00 0.00 WAT +ATOM 31774 H2 TIP3 8488 -36.224 -27.053 5.284 1.00 0.00 WAT +ATOM 31775 OH2 TIP3 8489 -33.005 -41.120 3.607 1.00 0.00 WAT +ATOM 31776 H1 TIP3 8489 -33.623 -41.824 3.890 1.00 0.00 WAT +ATOM 31777 H2 TIP3 8489 -32.401 -41.608 3.026 1.00 0.00 WAT +ATOM 31778 OH2 TIP3 8490 -27.717 -43.337 4.039 1.00 0.00 WAT +ATOM 31779 H1 TIP3 8490 -27.122 -42.877 3.423 1.00 0.00 WAT +ATOM 31780 H2 TIP3 8490 -28.588 -43.035 3.751 1.00 0.00 WAT +ATOM 31781 OH2 TIP3 8491 -25.750 -42.265 1.876 1.00 0.00 WAT +ATOM 31782 H1 TIP3 8491 -25.218 -42.418 1.091 1.00 0.00 WAT +ATOM 31783 H2 TIP3 8491 -25.558 -41.320 2.052 1.00 0.00 WAT +ATOM 31784 OH2 TIP3 8492 -40.730 -42.812 0.952 1.00 0.00 WAT +ATOM 31785 H1 TIP3 8492 -41.601 -43.137 0.687 1.00 0.00 WAT +ATOM 31786 H2 TIP3 8492 -40.286 -43.609 1.255 1.00 0.00 WAT +ATOM 31787 OH2 TIP3 8493 -42.053 -43.004 -3.003 1.00 0.00 WAT +ATOM 31788 H1 TIP3 8493 -41.698 -42.329 -3.608 1.00 0.00 WAT +ATOM 31789 H2 TIP3 8493 -42.592 -42.457 -2.399 1.00 0.00 WAT +ATOM 31790 OH2 TIP3 8494 -36.137 -42.191 1.255 1.00 0.00 WAT +ATOM 31791 H1 TIP3 8494 -35.219 -42.342 0.985 1.00 0.00 WAT +ATOM 31792 H2 TIP3 8494 -36.354 -42.982 1.759 1.00 0.00 WAT +ATOM 31793 OH2 TIP3 8495 -30.605 -42.648 2.557 1.00 0.00 WAT +ATOM 31794 H1 TIP3 8495 -30.258 -42.610 1.657 1.00 0.00 WAT +ATOM 31795 H2 TIP3 8495 -30.723 -43.595 2.715 1.00 0.00 WAT +ATOM 31796 OH2 TIP3 8496 -29.496 -42.724 -1.476 1.00 0.00 WAT +ATOM 31797 H1 TIP3 8496 -30.243 -42.123 -1.673 1.00 0.00 WAT +ATOM 31798 H2 TIP3 8496 -29.906 -43.596 -1.520 1.00 0.00 WAT +ATOM 31799 OH2 TIP3 8497 -41.889 -26.918 -1.977 1.00 0.00 WAT +ATOM 31800 H1 TIP3 8497 -42.500 -27.112 -2.696 1.00 0.00 WAT +ATOM 31801 H2 TIP3 8497 -41.821 -25.955 -2.020 1.00 0.00 WAT +ATOM 31802 OH2 TIP3 8498 -40.082 -41.110 -4.437 1.00 0.00 WAT +ATOM 31803 H1 TIP3 8498 -39.426 -41.581 -4.976 1.00 0.00 WAT +ATOM 31804 H2 TIP3 8498 -39.505 -40.698 -3.765 1.00 0.00 WAT +ATOM 31805 OH2 TIP3 8499 -34.920 -40.590 -2.104 1.00 0.00 WAT +ATOM 31806 H1 TIP3 8499 -34.824 -41.431 -1.613 1.00 0.00 WAT +ATOM 31807 H2 TIP3 8499 -34.702 -39.913 -1.434 1.00 0.00 WAT +ATOM 31808 OH2 TIP3 8500 -32.958 -25.131 -3.665 1.00 0.00 WAT +ATOM 31809 H1 TIP3 8500 -31.983 -25.114 -3.703 1.00 0.00 WAT +ATOM 31810 H2 TIP3 8500 -33.139 -25.801 -4.345 1.00 0.00 WAT +ATOM 31811 OH2 TIP3 8501 -26.483 -26.085 -1.028 1.00 0.00 WAT +ATOM 31812 H1 TIP3 8501 -26.651 -26.924 -1.499 1.00 0.00 WAT +ATOM 31813 H2 TIP3 8501 -26.385 -25.466 -1.766 1.00 0.00 WAT +ATOM 31814 OH2 TIP3 8502 -41.099 -41.760 10.388 1.00 0.00 WAT +ATOM 31815 H1 TIP3 8502 -41.591 -42.449 10.880 1.00 0.00 WAT +ATOM 31816 H2 TIP3 8502 -40.269 -42.238 10.240 1.00 0.00 WAT +ATOM 31817 OH2 TIP3 8503 -38.083 -42.770 12.986 1.00 0.00 WAT +ATOM 31818 H1 TIP3 8503 -37.219 -43.026 12.587 1.00 0.00 WAT +ATOM 31819 H2 TIP3 8503 -38.276 -43.547 13.520 1.00 0.00 WAT +ATOM 31820 OH2 TIP3 8504 -40.119 -25.920 -5.002 1.00 0.00 WAT +ATOM 31821 H1 TIP3 8504 -40.394 -25.757 -4.089 1.00 0.00 WAT +ATOM 31822 H2 TIP3 8504 -39.415 -26.582 -4.885 1.00 0.00 WAT +ATOM 31823 OH2 TIP3 8505 -26.971 -27.352 11.333 1.00 0.00 WAT +ATOM 31824 H1 TIP3 8505 -27.679 -27.521 10.685 1.00 0.00 WAT +ATOM 31825 H2 TIP3 8505 -27.095 -26.397 11.490 1.00 0.00 WAT +ATOM 31826 OH2 TIP3 8506 -12.758 -33.670 1.443 1.00 0.00 WAT +ATOM 31827 H1 TIP3 8506 -12.739 -32.701 1.539 1.00 0.00 WAT +ATOM 31828 H2 TIP3 8506 -13.525 -33.776 0.865 1.00 0.00 WAT +ATOM 31829 OH2 TIP3 8507 -13.828 -34.245 4.497 1.00 0.00 WAT +ATOM 31830 H1 TIP3 8507 -13.948 -34.781 5.296 1.00 0.00 WAT +ATOM 31831 H2 TIP3 8507 -14.170 -34.827 3.804 1.00 0.00 WAT +ATOM 31832 OH2 TIP3 8508 -21.549 -34.741 6.431 1.00 0.00 WAT +ATOM 31833 H1 TIP3 8508 -21.322 -35.607 6.796 1.00 0.00 WAT +ATOM 31834 H2 TIP3 8508 -20.680 -34.317 6.421 1.00 0.00 WAT +ATOM 31835 OH2 TIP3 8509 -10.178 -31.519 2.809 1.00 0.00 WAT +ATOM 31836 H1 TIP3 8509 -10.592 -32.169 3.389 1.00 0.00 WAT +ATOM 31837 H2 TIP3 8509 -9.952 -30.821 3.437 1.00 0.00 WAT +ATOM 31838 OH2 TIP3 8510 -20.760 -30.046 4.717 1.00 0.00 WAT +ATOM 31839 H1 TIP3 8510 -20.974 -30.971 4.486 1.00 0.00 WAT +ATOM 31840 H2 TIP3 8510 -19.804 -30.123 4.861 1.00 0.00 WAT +ATOM 31841 OH2 TIP3 8511 -23.823 -36.654 0.068 1.00 0.00 WAT +ATOM 31842 H1 TIP3 8511 -24.154 -35.747 0.179 1.00 0.00 WAT +ATOM 31843 H2 TIP3 8511 -24.556 -37.069 -0.403 1.00 0.00 WAT +ATOM 31844 OH2 TIP3 8512 -22.898 -34.327 2.077 1.00 0.00 WAT +ATOM 31845 H1 TIP3 8512 -22.673 -35.137 2.571 1.00 0.00 WAT +ATOM 31846 H2 TIP3 8512 -22.092 -34.182 1.565 1.00 0.00 WAT +ATOM 31847 OH2 TIP3 8513 -13.242 -26.244 3.363 1.00 0.00 WAT +ATOM 31848 H1 TIP3 8513 -12.504 -26.820 3.099 1.00 0.00 WAT +ATOM 31849 H2 TIP3 8513 -13.389 -26.504 4.278 1.00 0.00 WAT +ATOM 31850 OH2 TIP3 8514 -15.407 -31.717 5.090 1.00 0.00 WAT +ATOM 31851 H1 TIP3 8514 -15.081 -32.394 4.476 1.00 0.00 WAT +ATOM 31852 H2 TIP3 8514 -14.582 -31.547 5.585 1.00 0.00 WAT +ATOM 31853 OH2 TIP3 8515 -6.852 -40.183 5.647 1.00 0.00 WAT +ATOM 31854 H1 TIP3 8515 -6.516 -39.716 6.427 1.00 0.00 WAT +ATOM 31855 H2 TIP3 8515 -6.208 -39.885 4.978 1.00 0.00 WAT +ATOM 31856 OH2 TIP3 8516 -12.144 -37.400 5.624 1.00 0.00 WAT +ATOM 31857 H1 TIP3 8516 -11.920 -38.345 5.593 1.00 0.00 WAT +ATOM 31858 H2 TIP3 8516 -12.195 -37.189 4.677 1.00 0.00 WAT +ATOM 31859 OH2 TIP3 8517 -19.066 -39.438 2.857 1.00 0.00 WAT +ATOM 31860 H1 TIP3 8517 -19.147 -38.491 2.675 1.00 0.00 WAT +ATOM 31861 H2 TIP3 8517 -19.596 -39.816 2.139 1.00 0.00 WAT +ATOM 31862 OH2 TIP3 8518 -11.255 -39.230 1.023 1.00 0.00 WAT +ATOM 31863 H1 TIP3 8518 -10.626 -39.640 1.651 1.00 0.00 WAT +ATOM 31864 H2 TIP3 8518 -10.647 -38.765 0.428 1.00 0.00 WAT +ATOM 31865 OH2 TIP3 8519 -22.082 -36.812 3.401 1.00 0.00 WAT +ATOM 31866 H1 TIP3 8519 -21.477 -37.307 3.973 1.00 0.00 WAT +ATOM 31867 H2 TIP3 8519 -22.052 -37.333 2.581 1.00 0.00 WAT +ATOM 31868 OH2 TIP3 8520 -17.109 -35.238 2.653 1.00 0.00 WAT +ATOM 31869 H1 TIP3 8520 -16.397 -35.781 3.038 1.00 0.00 WAT +ATOM 31870 H2 TIP3 8520 -17.602 -35.904 2.137 1.00 0.00 WAT +ATOM 31871 OH2 TIP3 8521 -5.903 -38.473 8.311 1.00 0.00 WAT +ATOM 31872 H1 TIP3 8521 -6.644 -37.954 7.955 1.00 0.00 WAT +ATOM 31873 H2 TIP3 8521 -6.312 -38.899 9.071 1.00 0.00 WAT +ATOM 31874 OH2 TIP3 8522 -12.886 -30.859 0.231 1.00 0.00 WAT +ATOM 31875 H1 TIP3 8522 -13.098 -30.975 -0.701 1.00 0.00 WAT +ATOM 31876 H2 TIP3 8522 -13.277 -29.986 0.422 1.00 0.00 WAT +ATOM 31877 OH2 TIP3 8523 -17.382 -32.721 6.957 1.00 0.00 WAT +ATOM 31878 H1 TIP3 8523 -18.127 -32.120 7.164 1.00 0.00 WAT +ATOM 31879 H2 TIP3 8523 -16.779 -32.132 6.463 1.00 0.00 WAT +ATOM 31880 OH2 TIP3 8524 -9.370 -40.164 3.059 1.00 0.00 WAT +ATOM 31881 H1 TIP3 8524 -9.880 -40.574 3.768 1.00 0.00 WAT +ATOM 31882 H2 TIP3 8524 -8.852 -39.505 3.553 1.00 0.00 WAT +ATOM 31883 OH2 TIP3 8525 -19.429 -30.831 7.727 1.00 0.00 WAT +ATOM 31884 H1 TIP3 8525 -19.430 -29.944 7.325 1.00 0.00 WAT +ATOM 31885 H2 TIP3 8525 -20.305 -30.818 8.156 1.00 0.00 WAT +ATOM 31886 OH2 TIP3 8526 -23.138 -31.112 -1.438 1.00 0.00 WAT +ATOM 31887 H1 TIP3 8526 -23.273 -30.607 -2.257 1.00 0.00 WAT +ATOM 31888 H2 TIP3 8526 -22.929 -30.409 -0.783 1.00 0.00 WAT +ATOM 31889 OH2 TIP3 8527 -9.657 -29.661 5.337 1.00 0.00 WAT +ATOM 31890 H1 TIP3 8527 -10.624 -29.528 5.326 1.00 0.00 WAT +ATOM 31891 H2 TIP3 8527 -9.362 -28.815 4.954 1.00 0.00 WAT +ATOM 31892 OH2 TIP3 8528 -9.230 -41.111 7.047 1.00 0.00 WAT +ATOM 31893 H1 TIP3 8528 -10.028 -40.773 6.607 1.00 0.00 WAT +ATOM 31894 H2 TIP3 8528 -8.555 -40.958 6.358 1.00 0.00 WAT +ATOM 31895 OH2 TIP3 8529 -16.325 43.828 4.006 1.00 0.00 WAT +ATOM 31896 H1 TIP3 8529 -16.270 42.909 4.291 1.00 0.00 WAT +ATOM 31897 H2 TIP3 8529 -17.081 44.201 4.496 1.00 0.00 WAT +ATOM 31898 OH2 TIP3 8530 -11.157 -27.720 2.044 1.00 0.00 WAT +ATOM 31899 H1 TIP3 8530 -10.828 -28.451 1.488 1.00 0.00 WAT +ATOM 31900 H2 TIP3 8530 -11.018 -26.953 1.481 1.00 0.00 WAT +ATOM 31901 OH2 TIP3 8531 -9.857 -29.777 0.399 1.00 0.00 WAT +ATOM 31902 H1 TIP3 8531 -10.301 -30.280 -0.299 1.00 0.00 WAT +ATOM 31903 H2 TIP3 8531 -9.880 -30.408 1.138 1.00 0.00 WAT +ATOM 31904 OH2 TIP3 8532 -8.347 -31.064 9.011 1.00 0.00 WAT +ATOM 31905 H1 TIP3 8532 -8.459 -31.674 8.260 1.00 0.00 WAT +ATOM 31906 H2 TIP3 8532 -8.260 -30.203 8.548 1.00 0.00 WAT +ATOM 31907 OH2 TIP3 8533 -14.131 -34.174 -1.318 1.00 0.00 WAT +ATOM 31908 H1 TIP3 8533 -14.766 -33.513 -1.659 1.00 0.00 WAT +ATOM 31909 H2 TIP3 8533 -13.387 -34.058 -1.929 1.00 0.00 WAT +ATOM 31910 OH2 TIP3 8534 -13.803 -35.980 -4.241 1.00 0.00 WAT +ATOM 31911 H1 TIP3 8534 -13.130 -35.647 -3.619 1.00 0.00 WAT +ATOM 31912 H2 TIP3 8534 -13.253 -36.516 -4.832 1.00 0.00 WAT +ATOM 31913 OH2 TIP3 8535 -6.610 -34.882 6.945 1.00 0.00 WAT +ATOM 31914 H1 TIP3 8535 -7.326 -34.220 7.012 1.00 0.00 WAT +ATOM 31915 H2 TIP3 8535 -6.119 -34.539 6.171 1.00 0.00 WAT +ATOM 31916 OH2 TIP3 8536 -10.599 -34.178 -0.222 1.00 0.00 WAT +ATOM 31917 H1 TIP3 8536 -11.267 -33.913 0.450 1.00 0.00 WAT +ATOM 31918 H2 TIP3 8536 -9.980 -34.695 0.321 1.00 0.00 WAT +ATOM 31919 OH2 TIP3 8537 -10.778 -35.622 8.607 1.00 0.00 WAT +ATOM 31920 H1 TIP3 8537 -10.691 -34.805 9.127 1.00 0.00 WAT +ATOM 31921 H2 TIP3 8537 -11.396 -35.295 7.929 1.00 0.00 WAT +ATOM 31922 OH2 TIP3 8538 -19.050 -33.404 1.599 1.00 0.00 WAT +ATOM 31923 H1 TIP3 8538 -19.316 -33.810 0.752 1.00 0.00 WAT +ATOM 31924 H2 TIP3 8538 -18.338 -34.000 1.894 1.00 0.00 WAT +ATOM 31925 OH2 TIP3 8539 -17.680 -30.038 4.324 1.00 0.00 WAT +ATOM 31926 H1 TIP3 8539 -17.727 -30.327 3.402 1.00 0.00 WAT +ATOM 31927 H2 TIP3 8539 -16.841 -30.444 4.618 1.00 0.00 WAT +ATOM 31928 OH2 TIP3 8540 -18.505 -34.796 5.143 1.00 0.00 WAT +ATOM 31929 H1 TIP3 8540 -17.936 -34.744 4.354 1.00 0.00 WAT +ATOM 31930 H2 TIP3 8540 -18.091 -34.166 5.753 1.00 0.00 WAT +ATOM 31931 OH2 TIP3 8541 -12.472 -29.055 5.628 1.00 0.00 WAT +ATOM 31932 H1 TIP3 8541 -12.441 -28.348 6.295 1.00 0.00 WAT +ATOM 31933 H2 TIP3 8541 -12.670 -29.858 6.138 1.00 0.00 WAT +ATOM 31934 OH2 TIP3 8542 -17.580 -30.284 9.937 1.00 0.00 WAT +ATOM 31935 H1 TIP3 8542 -18.092 -29.560 10.343 1.00 0.00 WAT +ATOM 31936 H2 TIP3 8542 -18.173 -30.537 9.201 1.00 0.00 WAT +ATOM 31937 OH2 TIP3 8543 -11.608 -34.735 -2.759 1.00 0.00 WAT +ATOM 31938 H1 TIP3 8543 -11.159 -34.417 -1.945 1.00 0.00 WAT +ATOM 31939 H2 TIP3 8543 -11.135 -34.199 -3.443 1.00 0.00 WAT +ATOM 31940 OH2 TIP3 8544 -20.400 -34.173 9.157 1.00 0.00 WAT +ATOM 31941 H1 TIP3 8544 -20.420 -33.467 9.824 1.00 0.00 WAT +ATOM 31942 H2 TIP3 8544 -21.303 -34.139 8.812 1.00 0.00 WAT +ATOM 31943 OH2 TIP3 8545 -14.200 -28.140 0.881 1.00 0.00 WAT +ATOM 31944 H1 TIP3 8545 -13.661 -27.729 1.569 1.00 0.00 WAT +ATOM 31945 H2 TIP3 8545 -14.535 -27.367 0.410 1.00 0.00 WAT +ATOM 31946 OH2 TIP3 8546 -19.442 -28.072 10.719 1.00 0.00 WAT +ATOM 31947 H1 TIP3 8546 -19.523 -27.966 9.752 1.00 0.00 WAT +ATOM 31948 H2 TIP3 8546 -20.341 -28.334 10.984 1.00 0.00 WAT +ATOM 31949 OH2 TIP3 8547 -8.436 -43.233 -3.547 1.00 0.00 WAT +ATOM 31950 H1 TIP3 8547 -8.851 -43.228 -2.673 1.00 0.00 WAT +ATOM 31951 H2 TIP3 8547 -7.662 -42.679 -3.366 1.00 0.00 WAT +ATOM 31952 OH2 TIP3 8548 -20.062 -34.633 -0.915 1.00 0.00 WAT +ATOM 31953 H1 TIP3 8548 -20.258 -33.867 -1.483 1.00 0.00 WAT +ATOM 31954 H2 TIP3 8548 -20.730 -35.268 -1.198 1.00 0.00 WAT +ATOM 31955 OH2 TIP3 8549 -6.851 -28.443 -4.556 1.00 0.00 WAT +ATOM 31956 H1 TIP3 8549 -6.627 -27.529 -4.353 1.00 0.00 WAT +ATOM 31957 H2 TIP3 8549 -6.041 -28.924 -4.313 1.00 0.00 WAT +ATOM 31958 OH2 TIP3 8550 -24.027 -31.954 7.830 1.00 0.00 WAT +ATOM 31959 H1 TIP3 8550 -24.425 -31.956 6.938 1.00 0.00 WAT +ATOM 31960 H2 TIP3 8550 -23.866 -32.904 7.980 1.00 0.00 WAT +ATOM 31961 OH2 TIP3 8551 -23.964 -29.060 4.764 1.00 0.00 WAT +ATOM 31962 H1 TIP3 8551 -23.029 -29.315 4.785 1.00 0.00 WAT +ATOM 31963 H2 TIP3 8551 -23.992 -28.404 5.476 1.00 0.00 WAT +ATOM 31964 OH2 TIP3 8552 -5.573 -28.419 10.564 1.00 0.00 WAT +ATOM 31965 H1 TIP3 8552 -5.692 -29.354 10.325 1.00 0.00 WAT +ATOM 31966 H2 TIP3 8552 -6.491 -28.172 10.809 1.00 0.00 WAT +ATOM 31967 OH2 TIP3 8553 -14.908 -29.221 9.354 1.00 0.00 WAT +ATOM 31968 H1 TIP3 8553 -14.845 -28.368 9.826 1.00 0.00 WAT +ATOM 31969 H2 TIP3 8553 -15.831 -29.481 9.530 1.00 0.00 WAT +ATOM 31970 OH2 TIP3 8554 -20.739 -26.305 0.881 1.00 0.00 WAT +ATOM 31971 H1 TIP3 8554 -20.665 -26.673 1.783 1.00 0.00 WAT +ATOM 31972 H2 TIP3 8554 -21.647 -26.536 0.647 1.00 0.00 WAT +ATOM 31973 OH2 TIP3 8555 -8.795 -37.098 10.928 1.00 0.00 WAT +ATOM 31974 H1 TIP3 8555 -9.267 -36.670 10.200 1.00 0.00 WAT +ATOM 31975 H2 TIP3 8555 -8.705 -38.011 10.600 1.00 0.00 WAT +ATOM 31976 OH2 TIP3 8556 -21.838 -30.402 9.093 1.00 0.00 WAT +ATOM 31977 H1 TIP3 8556 -21.538 -30.924 9.864 1.00 0.00 WAT +ATOM 31978 H2 TIP3 8556 -22.561 -30.942 8.725 1.00 0.00 WAT +ATOM 31979 OH2 TIP3 8557 -18.760 -41.940 5.320 1.00 0.00 WAT +ATOM 31980 H1 TIP3 8557 -19.521 -42.179 4.780 1.00 0.00 WAT +ATOM 31981 H2 TIP3 8557 -18.961 -40.995 5.480 1.00 0.00 WAT +ATOM 31982 OH2 TIP3 8558 -14.062 -42.641 8.541 1.00 0.00 WAT +ATOM 31983 H1 TIP3 8558 -13.902 -43.102 9.369 1.00 0.00 WAT +ATOM 31984 H2 TIP3 8558 -15.024 -42.754 8.442 1.00 0.00 WAT +ATOM 31985 OH2 TIP3 8559 -11.101 -38.651 8.966 1.00 0.00 WAT +ATOM 31986 H1 TIP3 8559 -11.660 -38.730 9.760 1.00 0.00 WAT +ATOM 31987 H2 TIP3 8559 -11.124 -37.698 8.771 1.00 0.00 WAT +ATOM 31988 OH2 TIP3 8560 -10.125 -33.641 -4.787 1.00 0.00 WAT +ATOM 31989 H1 TIP3 8560 -10.264 -33.801 -5.738 1.00 0.00 WAT +ATOM 31990 H2 TIP3 8560 -9.209 -33.310 -4.785 1.00 0.00 WAT +ATOM 31991 OH2 TIP3 8561 -14.424 -39.952 -4.305 1.00 0.00 WAT +ATOM 31992 H1 TIP3 8561 -14.976 -40.031 -3.504 1.00 0.00 WAT +ATOM 31993 H2 TIP3 8561 -14.928 -40.550 -4.898 1.00 0.00 WAT +ATOM 31994 OH2 TIP3 8562 -18.808 -37.042 1.121 1.00 0.00 WAT +ATOM 31995 H1 TIP3 8562 -19.760 -37.182 0.986 1.00 0.00 WAT +ATOM 31996 H2 TIP3 8562 -18.464 -37.297 0.246 1.00 0.00 WAT +ATOM 31997 OH2 TIP3 8563 -13.229 -36.530 -0.129 1.00 0.00 WAT +ATOM 31998 H1 TIP3 8563 -13.630 -35.687 -0.439 1.00 0.00 WAT +ATOM 31999 H2 TIP3 8563 -12.542 -36.657 -0.803 1.00 0.00 WAT +ATOM 32000 OH2 TIP3 8564 -14.077 -36.298 11.275 1.00 0.00 WAT +ATOM 32001 H1 TIP3 8564 -14.559 -37.089 11.571 1.00 0.00 WAT +ATOM 32002 H2 TIP3 8564 -13.188 -36.438 11.655 1.00 0.00 WAT +ATOM 32003 OH2 TIP3 8565 -12.343 -37.122 2.678 1.00 0.00 WAT +ATOM 32004 H1 TIP3 8565 -12.646 -36.517 1.971 1.00 0.00 WAT +ATOM 32005 H2 TIP3 8565 -12.144 -37.913 2.138 1.00 0.00 WAT +ATOM 32006 OH2 TIP3 8566 -18.036 -39.469 -5.350 1.00 0.00 WAT +ATOM 32007 H1 TIP3 8566 -18.398 -39.802 -4.510 1.00 0.00 WAT +ATOM 32008 H2 TIP3 8566 -18.829 -39.264 -5.861 1.00 0.00 WAT +ATOM 32009 OH2 TIP3 8567 -24.603 -39.689 1.767 1.00 0.00 WAT +ATOM 32010 H1 TIP3 8567 -23.979 -39.487 2.487 1.00 0.00 WAT +ATOM 32011 H2 TIP3 8567 -24.020 -39.893 1.028 1.00 0.00 WAT +ATOM 32012 OH2 TIP3 8568 -23.014 -39.118 -2.584 1.00 0.00 WAT +ATOM 32013 H1 TIP3 8568 -22.456 -38.613 -3.210 1.00 0.00 WAT +ATOM 32014 H2 TIP3 8568 -23.707 -38.457 -2.396 1.00 0.00 WAT +ATOM 32015 OH2 TIP3 8569 -13.338 -35.432 7.142 1.00 0.00 WAT +ATOM 32016 H1 TIP3 8569 -12.864 -36.127 6.634 1.00 0.00 WAT +ATOM 32017 H2 TIP3 8569 -13.602 -35.905 7.939 1.00 0.00 WAT +ATOM 32018 OH2 TIP3 8570 -16.276 -39.531 2.134 1.00 0.00 WAT +ATOM 32019 H1 TIP3 8570 -17.216 -39.500 2.411 1.00 0.00 WAT +ATOM 32020 H2 TIP3 8570 -15.832 -39.649 2.985 1.00 0.00 WAT +ATOM 32021 OH2 TIP3 8571 -21.505 -38.259 0.841 1.00 0.00 WAT +ATOM 32022 H1 TIP3 8571 -22.298 -37.939 0.372 1.00 0.00 WAT +ATOM 32023 H2 TIP3 8571 -21.223 -39.040 0.328 1.00 0.00 WAT +ATOM 32024 OH2 TIP3 8572 -17.845 -37.952 -1.524 1.00 0.00 WAT +ATOM 32025 H1 TIP3 8572 -16.885 -37.819 -1.458 1.00 0.00 WAT +ATOM 32026 H2 TIP3 8572 -18.112 -37.326 -2.220 1.00 0.00 WAT +ATOM 32027 OH2 TIP3 8573 -11.707 -40.346 5.152 1.00 0.00 WAT +ATOM 32028 H1 TIP3 8573 -12.354 -40.347 5.885 1.00 0.00 WAT +ATOM 32029 H2 TIP3 8573 -12.290 -40.621 4.422 1.00 0.00 WAT +ATOM 32030 OH2 TIP3 8574 -19.393 -36.739 -3.740 1.00 0.00 WAT +ATOM 32031 H1 TIP3 8574 -19.960 -36.948 -4.497 1.00 0.00 WAT +ATOM 32032 H2 TIP3 8574 -18.576 -36.472 -4.198 1.00 0.00 WAT +ATOM 32033 OH2 TIP3 8575 -8.621 -24.603 11.811 1.00 0.00 WAT +ATOM 32034 H1 TIP3 8575 -8.475 -24.093 10.993 1.00 0.00 WAT +ATOM 32035 H2 TIP3 8575 -7.940 -24.216 12.388 1.00 0.00 WAT +ATOM 32036 OH2 TIP3 8576 -20.724 -31.977 11.227 1.00 0.00 WAT +ATOM 32037 H1 TIP3 8576 -20.063 -31.831 11.930 1.00 0.00 WAT +ATOM 32038 H2 TIP3 8576 -21.540 -31.972 11.760 1.00 0.00 WAT +ATOM 32039 OH2 TIP3 8577 -15.042 -36.969 3.948 1.00 0.00 WAT +ATOM 32040 H1 TIP3 8577 -14.270 -37.397 3.547 1.00 0.00 WAT +ATOM 32041 H2 TIP3 8577 -15.253 -37.561 4.690 1.00 0.00 WAT +ATOM 32042 OH2 TIP3 8578 -19.877 -40.612 0.224 1.00 0.00 WAT +ATOM 32043 H1 TIP3 8578 -20.281 -41.485 0.343 1.00 0.00 WAT +ATOM 32044 H2 TIP3 8578 -19.018 -40.833 -0.160 1.00 0.00 WAT +ATOM 32045 OH2 TIP3 8579 -16.406 -38.367 6.343 1.00 0.00 WAT +ATOM 32046 H1 TIP3 8579 -17.190 -37.804 6.277 1.00 0.00 WAT +ATOM 32047 H2 TIP3 8579 -15.913 -37.991 7.097 1.00 0.00 WAT +ATOM 32048 OH2 TIP3 8580 -15.930 -32.088 -1.903 1.00 0.00 WAT +ATOM 32049 H1 TIP3 8580 -16.707 -32.575 -2.248 1.00 0.00 WAT +ATOM 32050 H2 TIP3 8580 -16.124 -32.030 -0.940 1.00 0.00 WAT +ATOM 32051 OH2 TIP3 8581 -8.696 -32.953 6.845 1.00 0.00 WAT +ATOM 32052 H1 TIP3 8581 -8.196 -32.390 6.213 1.00 0.00 WAT +ATOM 32053 H2 TIP3 8581 -9.551 -33.045 6.378 1.00 0.00 WAT +ATOM 32054 OH2 TIP3 8582 -11.743 -39.317 -4.274 1.00 0.00 WAT +ATOM 32055 H1 TIP3 8582 -12.727 -39.373 -4.253 1.00 0.00 WAT +ATOM 32056 H2 TIP3 8582 -11.553 -38.622 -3.610 1.00 0.00 WAT +ATOM 32057 OH2 TIP3 8583 -14.319 -32.115 9.453 1.00 0.00 WAT +ATOM 32058 H1 TIP3 8583 -14.568 -32.340 10.355 1.00 0.00 WAT +ATOM 32059 H2 TIP3 8583 -14.557 -31.175 9.392 1.00 0.00 WAT +ATOM 32060 OH2 TIP3 8584 -11.095 -37.495 -2.142 1.00 0.00 WAT +ATOM 32061 H1 TIP3 8584 -10.229 -37.607 -1.704 1.00 0.00 WAT +ATOM 32062 H2 TIP3 8584 -11.031 -36.583 -2.486 1.00 0.00 WAT +ATOM 32063 OH2 TIP3 8585 -20.683 -32.870 4.027 1.00 0.00 WAT +ATOM 32064 H1 TIP3 8585 -20.169 -32.880 3.200 1.00 0.00 WAT +ATOM 32065 H2 TIP3 8585 -20.558 -33.779 4.334 1.00 0.00 WAT +ATOM 32066 OH2 TIP3 8586 -13.521 -30.699 -2.931 1.00 0.00 WAT +ATOM 32067 H1 TIP3 8586 -13.771 -29.803 -2.627 1.00 0.00 WAT +ATOM 32068 H2 TIP3 8586 -14.312 -31.208 -2.681 1.00 0.00 WAT +ATOM 32069 OH2 TIP3 8587 -23.631 -34.409 9.271 1.00 0.00 WAT +ATOM 32070 H1 TIP3 8587 -23.373 -34.968 10.023 1.00 0.00 WAT +ATOM 32071 H2 TIP3 8587 -24.108 -35.023 8.689 1.00 0.00 WAT +ATOM 32072 OH2 TIP3 8588 -16.951 -35.412 10.855 1.00 0.00 WAT +ATOM 32073 H1 TIP3 8588 -16.925 -35.136 9.909 1.00 0.00 WAT +ATOM 32074 H2 TIP3 8588 -15.993 -35.360 11.028 1.00 0.00 WAT +ATOM 32075 OH2 TIP3 8589 -12.033 -29.625 8.956 1.00 0.00 WAT +ATOM 32076 H1 TIP3 8589 -12.974 -29.412 8.835 1.00 0.00 WAT +ATOM 32077 H2 TIP3 8589 -11.841 -29.209 9.808 1.00 0.00 WAT +ATOM 32078 OH2 TIP3 8590 -6.484 -37.447 -2.325 1.00 0.00 WAT +ATOM 32079 H1 TIP3 8590 -7.053 -37.622 -3.102 1.00 0.00 WAT +ATOM 32080 H2 TIP3 8590 -6.366 -36.482 -2.451 1.00 0.00 WAT +ATOM 32081 OH2 TIP3 8591 -6.036 -31.436 10.479 1.00 0.00 WAT +ATOM 32082 H1 TIP3 8591 -6.965 -31.193 10.278 1.00 0.00 WAT +ATOM 32083 H2 TIP3 8591 -5.693 -31.580 9.575 1.00 0.00 WAT +ATOM 32084 OH2 TIP3 8592 -11.056 -33.526 5.192 1.00 0.00 WAT +ATOM 32085 H1 TIP3 8592 -11.982 -33.647 4.901 1.00 0.00 WAT +ATOM 32086 H2 TIP3 8592 -10.607 -34.207 4.653 1.00 0.00 WAT +ATOM 32087 OH2 TIP3 8593 -18.413 -29.368 1.197 1.00 0.00 WAT +ATOM 32088 H1 TIP3 8593 -17.935 -28.539 1.040 1.00 0.00 WAT +ATOM 32089 H2 TIP3 8593 -19.301 -29.132 0.901 1.00 0.00 WAT +ATOM 32090 OH2 TIP3 8594 -22.406 -34.632 -4.193 1.00 0.00 WAT +ATOM 32091 H1 TIP3 8594 -21.820 -33.955 -3.805 1.00 0.00 WAT +ATOM 32092 H2 TIP3 8594 -23.278 -34.318 -3.893 1.00 0.00 WAT +ATOM 32093 OH2 TIP3 8595 -16.588 -31.745 0.806 1.00 0.00 WAT +ATOM 32094 H1 TIP3 8595 -16.813 -30.812 0.950 1.00 0.00 WAT +ATOM 32095 H2 TIP3 8595 -17.318 -32.191 1.256 1.00 0.00 WAT +ATOM 32096 OH2 TIP3 8596 -16.404 -27.465 7.180 1.00 0.00 WAT +ATOM 32097 H1 TIP3 8596 -15.892 -26.713 6.825 1.00 0.00 WAT +ATOM 32098 H2 TIP3 8596 -15.725 -27.926 7.692 1.00 0.00 WAT +ATOM 32099 OH2 TIP3 8597 -17.935 -26.431 0.323 1.00 0.00 WAT +ATOM 32100 H1 TIP3 8597 -18.893 -26.276 0.420 1.00 0.00 WAT +ATOM 32101 H2 TIP3 8597 -17.553 -25.650 0.747 1.00 0.00 WAT +ATOM 32102 OH2 TIP3 8598 -12.995 -31.727 6.727 1.00 0.00 WAT +ATOM 32103 H1 TIP3 8598 -13.266 -32.004 7.618 1.00 0.00 WAT +ATOM 32104 H2 TIP3 8598 -12.255 -32.328 6.540 1.00 0.00 WAT +ATOM 32105 OH2 TIP3 8599 -10.819 -30.253 -4.402 1.00 0.00 WAT +ATOM 32106 H1 TIP3 8599 -10.347 -30.682 -3.668 1.00 0.00 WAT +ATOM 32107 H2 TIP3 8599 -11.731 -30.400 -4.104 1.00 0.00 WAT +ATOM 32108 OH2 TIP3 8600 -10.059 -27.149 9.109 1.00 0.00 WAT +ATOM 32109 H1 TIP3 8600 -10.814 -27.544 8.636 1.00 0.00 WAT +ATOM 32110 H2 TIP3 8600 -9.906 -26.335 8.589 1.00 0.00 WAT +ATOM 32111 OH2 TIP3 8601 -9.892 -31.788 -2.012 1.00 0.00 WAT +ATOM 32112 H1 TIP3 8601 -10.075 -32.502 -1.382 1.00 0.00 WAT +ATOM 32113 H2 TIP3 8601 -8.928 -31.684 -1.931 1.00 0.00 WAT +ATOM 32114 OH2 TIP3 8602 -22.486 -28.024 7.221 1.00 0.00 WAT +ATOM 32115 H1 TIP3 8602 -22.127 -28.913 7.356 1.00 0.00 WAT +ATOM 32116 H2 TIP3 8602 -22.193 -27.583 8.029 1.00 0.00 WAT +ATOM 32117 OH2 TIP3 8603 -16.549 -29.301 -5.949 1.00 0.00 WAT +ATOM 32118 H1 TIP3 8603 -16.242 -30.171 -6.248 1.00 0.00 WAT +ATOM 32119 H2 TIP3 8603 -16.988 -29.508 -5.112 1.00 0.00 WAT +ATOM 32120 OH2 TIP3 8604 -17.788 -29.746 -2.950 1.00 0.00 WAT +ATOM 32121 H1 TIP3 8604 -17.192 -30.249 -2.379 1.00 0.00 WAT +ATOM 32122 H2 TIP3 8604 -17.525 -28.824 -2.762 1.00 0.00 WAT +ATOM 32123 OH2 TIP3 8605 -20.922 -32.418 -2.667 1.00 0.00 WAT +ATOM 32124 H1 TIP3 8605 -21.629 -32.012 -2.130 1.00 0.00 WAT +ATOM 32125 H2 TIP3 8605 -20.441 -31.623 -2.962 1.00 0.00 WAT +ATOM 32126 OH2 TIP3 8606 -13.335 -40.059 7.438 1.00 0.00 WAT +ATOM 32127 H1 TIP3 8606 -12.663 -39.811 8.088 1.00 0.00 WAT +ATOM 32128 H2 TIP3 8606 -13.672 -40.911 7.772 1.00 0.00 WAT +ATOM 32129 OH2 TIP3 8607 -12.482 -40.583 -1.410 1.00 0.00 WAT +ATOM 32130 H1 TIP3 8607 -12.450 -39.980 -2.169 1.00 0.00 WAT +ATOM 32131 H2 TIP3 8607 -12.152 -40.011 -0.696 1.00 0.00 WAT +ATOM 32132 OH2 TIP3 8608 -14.814 -28.132 -2.400 1.00 0.00 WAT +ATOM 32133 H1 TIP3 8608 -15.590 -27.553 -2.344 1.00 0.00 WAT +ATOM 32134 H2 TIP3 8608 -14.339 -27.710 -3.142 1.00 0.00 WAT +ATOM 32135 OH2 TIP3 8609 -15.143 -38.579 -0.368 1.00 0.00 WAT +ATOM 32136 H1 TIP3 8609 -14.446 -37.897 -0.249 1.00 0.00 WAT +ATOM 32137 H2 TIP3 8609 -15.514 -38.651 0.531 1.00 0.00 WAT +ATOM 32138 OH2 TIP3 8610 -14.956 -37.633 8.743 1.00 0.00 WAT +ATOM 32139 H1 TIP3 8610 -14.717 -37.087 9.510 1.00 0.00 WAT +ATOM 32140 H2 TIP3 8610 -14.289 -38.333 8.750 1.00 0.00 WAT +ATOM 32141 OH2 TIP3 8611 -14.491 -41.707 0.589 1.00 0.00 WAT +ATOM 32142 H1 TIP3 8611 -14.812 -40.945 1.100 1.00 0.00 WAT +ATOM 32143 H2 TIP3 8611 -13.920 -41.271 -0.069 1.00 0.00 WAT +ATOM 32144 OH2 TIP3 8612 -17.478 -26.905 -2.597 1.00 0.00 WAT +ATOM 32145 H1 TIP3 8612 -17.473 -26.065 -3.071 1.00 0.00 WAT +ATOM 32146 H2 TIP3 8612 -17.728 -26.626 -1.698 1.00 0.00 WAT +ATOM 32147 OH2 TIP3 8613 -18.935 -40.505 -2.863 1.00 0.00 WAT +ATOM 32148 H1 TIP3 8613 -18.885 -39.664 -2.372 1.00 0.00 WAT +ATOM 32149 H2 TIP3 8613 -18.054 -40.871 -2.652 1.00 0.00 WAT +ATOM 32150 OH2 TIP3 8614 -8.461 -39.631 9.534 1.00 0.00 WAT +ATOM 32151 H1 TIP3 8614 -9.426 -39.524 9.427 1.00 0.00 WAT +ATOM 32152 H2 TIP3 8614 -8.243 -39.876 8.623 1.00 0.00 WAT +ATOM 32153 OH2 TIP3 8615 -10.041 -35.740 3.637 1.00 0.00 WAT +ATOM 32154 H1 TIP3 8615 -10.860 -36.185 3.354 1.00 0.00 WAT +ATOM 32155 H2 TIP3 8615 -9.551 -36.463 4.086 1.00 0.00 WAT +ATOM 32156 OH2 TIP3 8616 -20.517 -29.667 -3.896 1.00 0.00 WAT +ATOM 32157 H1 TIP3 8616 -19.838 -29.091 -3.501 1.00 0.00 WAT +ATOM 32158 H2 TIP3 8616 -19.969 -30.110 -4.563 1.00 0.00 WAT +ATOM 32159 OH2 TIP3 8617 -22.346 -37.459 -4.786 1.00 0.00 WAT +ATOM 32160 H1 TIP3 8617 -22.187 -36.520 -4.568 1.00 0.00 WAT +ATOM 32161 H2 TIP3 8617 -23.210 -37.415 -5.214 1.00 0.00 WAT +ATOM 32162 OH2 TIP3 8618 -8.995 -26.848 5.064 1.00 0.00 WAT +ATOM 32163 H1 TIP3 8618 -9.192 -26.085 4.481 1.00 0.00 WAT +ATOM 32164 H2 TIP3 8618 -8.050 -26.687 5.226 1.00 0.00 WAT +ATOM 32165 OH2 TIP3 8619 -22.178 -42.483 4.100 1.00 0.00 WAT +ATOM 32166 H1 TIP3 8619 -21.768 -42.420 3.227 1.00 0.00 WAT +ATOM 32167 H2 TIP3 8619 -21.961 -43.374 4.376 1.00 0.00 WAT +ATOM 32168 OH2 TIP3 8620 -22.573 -28.914 0.215 1.00 0.00 WAT +ATOM 32169 H1 TIP3 8620 -23.284 -28.326 0.503 1.00 0.00 WAT +ATOM 32170 H2 TIP3 8620 -22.104 -28.336 -0.409 1.00 0.00 WAT +ATOM 32171 OH2 TIP3 8621 -23.110 -25.986 11.439 1.00 0.00 WAT +ATOM 32172 H1 TIP3 8621 -22.545 -26.272 12.180 1.00 0.00 WAT +ATOM 32173 H2 TIP3 8621 -23.492 -26.832 11.132 1.00 0.00 WAT +ATOM 32174 OH2 TIP3 8622 -18.140 -26.920 13.406 1.00 0.00 WAT +ATOM 32175 H1 TIP3 8622 -17.628 -27.749 13.373 1.00 0.00 WAT +ATOM 32176 H2 TIP3 8622 -18.552 -26.957 12.527 1.00 0.00 WAT +ATOM 32177 OH2 TIP3 8623 -14.252 -27.765 -5.081 1.00 0.00 WAT +ATOM 32178 H1 TIP3 8623 -15.048 -28.181 -5.457 1.00 0.00 WAT +ATOM 32179 H2 TIP3 8623 -13.579 -27.945 -5.746 1.00 0.00 WAT +ATOM 32180 OH2 TIP3 8624 -12.054 -28.531 11.903 1.00 0.00 WAT +ATOM 32181 H1 TIP3 8624 -12.374 -29.401 12.194 1.00 0.00 WAT +ATOM 32182 H2 TIP3 8624 -11.269 -28.392 12.463 1.00 0.00 WAT +ATOM 32183 OH2 TIP3 8625 -23.160 -32.360 12.556 1.00 0.00 WAT +ATOM 32184 H1 TIP3 8625 -23.041 -33.233 12.152 1.00 0.00 WAT +ATOM 32185 H2 TIP3 8625 -23.921 -32.031 12.037 1.00 0.00 WAT +ATOM 32186 OH2 TIP3 8626 -18.954 -31.948 -5.436 1.00 0.00 WAT +ATOM 32187 H1 TIP3 8626 -18.757 -32.516 -4.673 1.00 0.00 WAT +ATOM 32188 H2 TIP3 8626 -18.077 -31.907 -5.864 1.00 0.00 WAT +ATOM 32189 OH2 TIP3 8627 -16.600 -32.213 11.898 1.00 0.00 WAT +ATOM 32190 H1 TIP3 8627 -16.836 -31.795 11.047 1.00 0.00 WAT +ATOM 32191 H2 TIP3 8627 -16.478 -33.139 11.661 1.00 0.00 WAT +ATOM 32192 OH2 TIP3 8628 -13.692 -30.612 -5.908 1.00 0.00 WAT +ATOM 32193 H1 TIP3 8628 -13.757 -30.524 -4.942 1.00 0.00 WAT +ATOM 32194 H2 TIP3 8628 -13.749 -31.583 -6.014 1.00 0.00 WAT +ATOM 32195 OH2 TIP3 8629 -11.162 -32.524 9.295 1.00 0.00 WAT +ATOM 32196 H1 TIP3 8629 -10.366 -32.017 9.070 1.00 0.00 WAT +ATOM 32197 H2 TIP3 8629 -11.832 -31.820 9.242 1.00 0.00 WAT +ATOM 32198 OH2 TIP3 8630 -22.081 -35.259 11.729 1.00 0.00 WAT +ATOM 32199 H1 TIP3 8630 -21.982 -36.212 11.805 1.00 0.00 WAT +ATOM 32200 H2 TIP3 8630 -22.284 -35.004 12.642 1.00 0.00 WAT +ATOM 32201 OH2 TIP3 8631 -17.876 -33.853 -3.114 1.00 0.00 WAT +ATOM 32202 H1 TIP3 8631 -18.457 -34.368 -2.537 1.00 0.00 WAT +ATOM 32203 H2 TIP3 8631 -17.559 -34.535 -3.739 1.00 0.00 WAT +ATOM 32204 OH2 TIP3 8632 -16.918 -35.853 -4.846 1.00 0.00 WAT +ATOM 32205 H1 TIP3 8632 -16.949 -35.728 -5.813 1.00 0.00 WAT +ATOM 32206 H2 TIP3 8632 -15.955 -35.865 -4.686 1.00 0.00 WAT +ATOM 32207 OH2 TIP3 8633 -13.337 -33.372 12.733 1.00 0.00 WAT +ATOM 32208 H1 TIP3 8633 -12.446 -33.519 12.380 1.00 0.00 WAT +ATOM 32209 H2 TIP3 8633 -13.543 -34.241 13.101 1.00 0.00 WAT +ATOM 32210 OH2 TIP3 8634 -7.427 -33.284 -5.537 1.00 0.00 WAT +ATOM 32211 H1 TIP3 8634 -7.523 -33.621 -6.438 1.00 0.00 WAT +ATOM 32212 H2 TIP3 8634 -7.463 -32.316 -5.693 1.00 0.00 WAT +ATOM 32213 OH2 TIP3 8635 -17.729 -40.323 8.014 1.00 0.00 WAT +ATOM 32214 H1 TIP3 8635 -17.191 -39.773 7.414 1.00 0.00 WAT +ATOM 32215 H2 TIP3 8635 -18.627 -40.057 7.703 1.00 0.00 WAT +ATOM 32216 OH2 TIP3 8636 -16.204 -34.878 8.264 1.00 0.00 WAT +ATOM 32217 H1 TIP3 8636 -15.421 -34.987 7.703 1.00 0.00 WAT +ATOM 32218 H2 TIP3 8636 -16.613 -34.088 7.848 1.00 0.00 WAT +ATOM 32219 OH2 TIP3 8637 -11.608 -36.929 12.947 1.00 0.00 WAT +ATOM 32220 H1 TIP3 8637 -11.365 -37.862 13.036 1.00 0.00 WAT +ATOM 32221 H2 TIP3 8637 -10.735 -36.511 12.863 1.00 0.00 WAT +ATOM 32222 OH2 TIP3 8638 -10.624 -34.159 11.408 1.00 0.00 WAT +ATOM 32223 H1 TIP3 8638 -10.961 -33.532 10.732 1.00 0.00 WAT +ATOM 32224 H2 TIP3 8638 -9.715 -34.284 11.065 1.00 0.00 WAT +ATOM 32225 OH2 TIP3 8639 -16.961 -42.929 8.692 1.00 0.00 WAT +ATOM 32226 H1 TIP3 8639 -17.178 -41.981 8.525 1.00 0.00 WAT +ATOM 32227 H2 TIP3 8639 -17.729 -43.357 8.284 1.00 0.00 WAT +ATOM 32228 OH2 TIP3 8640 -15.934 -38.431 11.758 1.00 0.00 WAT +ATOM 32229 H1 TIP3 8640 -16.088 -38.706 12.679 1.00 0.00 WAT +ATOM 32230 H2 TIP3 8640 -16.506 -39.057 11.302 1.00 0.00 WAT +ATOM 32231 OH2 TIP3 8641 -13.115 -39.395 10.913 1.00 0.00 WAT +ATOM 32232 H1 TIP3 8641 -14.038 -39.360 11.205 1.00 0.00 WAT +ATOM 32233 H2 TIP3 8641 -12.746 -40.092 11.486 1.00 0.00 WAT +ATOM 32234 OH2 TIP3 8642 -11.431 -41.357 12.514 1.00 0.00 WAT +ATOM 32235 H1 TIP3 8642 -11.541 -42.236 12.897 1.00 0.00 WAT +ATOM 32236 H2 TIP3 8642 -11.538 -40.771 13.282 1.00 0.00 WAT +ATOM 32237 OH2 TIP3 8643 -20.745 -39.424 11.760 1.00 0.00 WAT +ATOM 32238 H1 TIP3 8643 -21.152 -40.079 11.158 1.00 0.00 WAT +ATOM 32239 H2 TIP3 8643 -21.252 -39.611 12.569 1.00 0.00 WAT +ATOM 32240 OH2 TIP3 8644 -16.138 -41.398 12.893 1.00 0.00 WAT +ATOM 32241 H1 TIP3 8644 -16.262 -42.281 12.489 1.00 0.00 WAT +ATOM 32242 H2 TIP3 8644 -17.051 -41.126 13.057 1.00 0.00 WAT +ATOM 32243 OH2 TIP3 8645 -23.238 -30.195 -4.222 1.00 0.00 WAT +ATOM 32244 H1 TIP3 8645 -22.283 -30.012 -4.064 1.00 0.00 WAT +ATOM 32245 H2 TIP3 8645 -23.199 -30.993 -4.786 1.00 0.00 WAT +ATOM 32246 OH2 TIP3 8646 -24.171 -24.990 0.566 1.00 0.00 WAT +ATOM 32247 H1 TIP3 8646 -24.882 -25.355 0.018 1.00 0.00 WAT +ATOM 32248 H2 TIP3 8646 -24.053 -25.678 1.248 1.00 0.00 WAT +ATOM 32249 OH2 TIP3 8647 -23.856 -27.012 2.520 1.00 0.00 WAT +ATOM 32250 H1 TIP3 8647 -24.131 -27.876 2.864 1.00 0.00 WAT +ATOM 32251 H2 TIP3 8647 -23.469 -26.632 3.325 1.00 0.00 WAT +ATOM 32252 OH2 TIP3 8648 -6.225 -25.924 5.534 1.00 0.00 WAT +ATOM 32253 H1 TIP3 8648 -6.190 -25.641 6.459 1.00 0.00 WAT +ATOM 32254 H2 TIP3 8648 -5.551 -25.344 5.158 1.00 0.00 WAT +ATOM 32255 OH2 TIP3 8649 -6.446 -26.260 8.481 1.00 0.00 WAT +ATOM 32256 H1 TIP3 8649 -6.894 -26.985 8.014 1.00 0.00 WAT +ATOM 32257 H2 TIP3 8649 -5.852 -26.755 9.061 1.00 0.00 WAT +ATOM 32258 OH2 TIP3 8650 -8.411 -30.853 12.716 1.00 0.00 WAT +ATOM 32259 H1 TIP3 8650 -9.297 -30.736 13.098 1.00 0.00 WAT +ATOM 32260 H2 TIP3 8650 -7.964 -30.025 12.963 1.00 0.00 WAT +ATOM 32261 OH2 TIP3 8651 -6.971 -32.065 -1.632 1.00 0.00 WAT +ATOM 32262 H1 TIP3 8651 -6.119 -31.623 -1.465 1.00 0.00 WAT +ATOM 32263 H2 TIP3 8651 -7.054 -32.611 -0.831 1.00 0.00 WAT +ATOM 32264 OH2 TIP3 8652 -6.532 -34.009 0.413 1.00 0.00 WAT +ATOM 32265 H1 TIP3 8652 -7.206 -34.565 0.850 1.00 0.00 WAT +ATOM 32266 H2 TIP3 8652 -5.858 -33.874 1.104 1.00 0.00 WAT +ATOM 32267 OH2 TIP3 8653 -6.808 -31.496 5.403 1.00 0.00 WAT +ATOM 32268 H1 TIP3 8653 -6.204 -31.955 4.801 1.00 0.00 WAT +ATOM 32269 H2 TIP3 8653 -6.719 -30.575 5.099 1.00 0.00 WAT +ATOM 32270 OH2 TIP3 8654 -8.113 -28.642 7.652 1.00 0.00 WAT +ATOM 32271 H1 TIP3 8654 -8.819 -28.136 8.090 1.00 0.00 WAT +ATOM 32272 H2 TIP3 8654 -8.548 -28.914 6.820 1.00 0.00 WAT +ATOM 32273 OH2 TIP3 8655 -6.303 -34.539 -3.026 1.00 0.00 WAT +ATOM 32274 H1 TIP3 8655 -6.802 -34.234 -3.806 1.00 0.00 WAT +ATOM 32275 H2 TIP3 8655 -6.437 -33.777 -2.433 1.00 0.00 WAT +ATOM 32276 OH2 TIP3 8656 -8.009 -37.009 -4.764 1.00 0.00 WAT +ATOM 32277 H1 TIP3 8656 -7.762 -36.355 -5.434 1.00 0.00 WAT +ATOM 32278 H2 TIP3 8656 -8.251 -37.784 -5.301 1.00 0.00 WAT +ATOM 32279 OH2 TIP3 8657 -8.582 -35.852 1.232 1.00 0.00 WAT +ATOM 32280 H1 TIP3 8657 -8.698 -36.796 1.036 1.00 0.00 WAT +ATOM 32281 H2 TIP3 8657 -8.993 -35.758 2.114 1.00 0.00 WAT +ATOM 32282 OH2 TIP3 8658 -23.729 -33.627 4.946 1.00 0.00 WAT +ATOM 32283 H1 TIP3 8658 -23.450 -33.627 4.013 1.00 0.00 WAT +ATOM 32284 H2 TIP3 8658 -22.891 -33.884 5.385 1.00 0.00 WAT +ATOM 32285 OH2 TIP3 8659 -8.012 -33.933 10.382 1.00 0.00 WAT +ATOM 32286 H1 TIP3 8659 -7.246 -34.519 10.521 1.00 0.00 WAT +ATOM 32287 H2 TIP3 8659 -7.591 -33.094 10.141 1.00 0.00 WAT +ATOM 32288 OH2 TIP3 8660 -6.454 -35.845 11.601 1.00 0.00 WAT +ATOM 32289 H1 TIP3 8660 -7.243 -36.366 11.347 1.00 0.00 WAT +ATOM 32290 H2 TIP3 8660 -5.752 -36.519 11.560 1.00 0.00 WAT +ATOM 32291 OH2 TIP3 8661 -8.585 -39.722 -5.629 1.00 0.00 WAT +ATOM 32292 H1 TIP3 8661 -8.003 -40.118 -4.956 1.00 0.00 WAT +ATOM 32293 H2 TIP3 8661 -9.424 -40.178 -5.484 1.00 0.00 WAT +ATOM 32294 OH2 TIP3 8662 -8.782 -38.272 -0.579 1.00 0.00 WAT +ATOM 32295 H1 TIP3 8662 -8.596 -39.239 -0.544 1.00 0.00 WAT +ATOM 32296 H2 TIP3 8662 -7.969 -37.953 -1.007 1.00 0.00 WAT +ATOM 32297 OH2 TIP3 8663 -8.527 -37.757 4.794 1.00 0.00 WAT +ATOM 32298 H1 TIP3 8663 -7.553 -37.666 4.757 1.00 0.00 WAT +ATOM 32299 H2 TIP3 8663 -8.657 -37.744 5.756 1.00 0.00 WAT +ATOM 32300 OH2 TIP3 8664 -8.381 -37.051 7.673 1.00 0.00 WAT +ATOM 32301 H1 TIP3 8664 -9.223 -36.615 7.901 1.00 0.00 WAT +ATOM 32302 H2 TIP3 8664 -7.823 -36.285 7.433 1.00 0.00 WAT +ATOM 32303 OH2 TIP3 8665 -23.767 -38.379 11.459 1.00 0.00 WAT +ATOM 32304 H1 TIP3 8665 -22.886 -38.691 11.223 1.00 0.00 WAT +ATOM 32305 H2 TIP3 8665 -24.286 -39.195 11.343 1.00 0.00 WAT +ATOM 32306 OH2 TIP3 8666 -6.205 -42.762 13.427 1.00 0.00 WAT +ATOM 32307 H1 TIP3 8666 -5.694 -43.548 13.201 1.00 0.00 WAT +ATOM 32308 H2 TIP3 8666 -6.187 -42.182 12.631 1.00 0.00 WAT +ATOM 32309 OH2 TIP3 8667 -8.471 -40.989 -0.518 1.00 0.00 WAT +ATOM 32310 H1 TIP3 8667 -8.237 -41.482 0.280 1.00 0.00 WAT +ATOM 32311 H2 TIP3 8667 -9.100 -41.601 -0.946 1.00 0.00 WAT +ATOM 32312 OH2 TIP3 8668 -22.804 -39.777 4.162 1.00 0.00 WAT +ATOM 32313 H1 TIP3 8668 -22.591 -40.727 4.245 1.00 0.00 WAT +ATOM 32314 H2 TIP3 8668 -22.205 -39.405 4.833 1.00 0.00 WAT +ATOM 32315 OH2 TIP3 8669 -24.584 -37.183 4.987 1.00 0.00 WAT +ATOM 32316 H1 TIP3 8669 -23.845 -37.400 4.400 1.00 0.00 WAT +ATOM 32317 H2 TIP3 8669 -24.153 -36.565 5.593 1.00 0.00 WAT +ATOM 32318 OH2 TIP3 8670 -6.424 -41.118 11.267 1.00 0.00 WAT +ATOM 32319 H1 TIP3 8670 -7.276 -40.645 11.326 1.00 0.00 WAT +ATOM 32320 H2 TIP3 8670 -6.497 -41.462 10.359 1.00 0.00 WAT +ATOM 32321 OH2 TIP3 8671 -6.362 -40.580 -3.909 1.00 0.00 WAT +ATOM 32322 H1 TIP3 8671 -6.149 -41.424 -4.360 1.00 0.00 WAT +ATOM 32323 H2 TIP3 8671 -5.506 -40.129 -3.867 1.00 0.00 WAT +ATOM 32324 OH2 TIP3 8672 -23.996 -41.061 -0.841 1.00 0.00 WAT +ATOM 32325 H1 TIP3 8672 -24.949 -40.917 -0.978 1.00 0.00 WAT +ATOM 32326 H2 TIP3 8672 -23.598 -40.344 -1.381 1.00 0.00 WAT +ATOM 32327 OH2 TIP3 8673 -8.571 -25.638 0.609 1.00 0.00 WAT +ATOM 32328 H1 TIP3 8673 -8.885 -26.542 0.590 1.00 0.00 WAT +ATOM 32329 H2 TIP3 8673 -8.940 -25.284 1.434 1.00 0.00 WAT +ATOM 32330 OH2 TIP3 8674 -24.591 -41.416 7.768 1.00 0.00 WAT +ATOM 32331 H1 TIP3 8674 -24.095 -42.209 8.032 1.00 0.00 WAT +ATOM 32332 H2 TIP3 8674 -24.336 -41.342 6.839 1.00 0.00 WAT +ATOM 32333 OH2 TIP3 8675 -22.009 -29.027 12.084 1.00 0.00 WAT +ATOM 32334 H1 TIP3 8675 -22.692 -29.004 11.396 1.00 0.00 WAT +ATOM 32335 H2 TIP3 8675 -22.530 -28.960 12.892 1.00 0.00 WAT +ATOM 32336 OH2 TIP3 8676 -19.172 -27.945 7.747 1.00 0.00 WAT +ATOM 32337 H1 TIP3 8676 -19.474 -27.105 7.352 1.00 0.00 WAT +ATOM 32338 H2 TIP3 8676 -18.217 -27.872 7.543 1.00 0.00 WAT +ATOM 32339 OH2 TIP3 8677 -14.677 -26.641 10.803 1.00 0.00 WAT +ATOM 32340 H1 TIP3 8677 -14.402 -26.866 11.702 1.00 0.00 WAT +ATOM 32341 H2 TIP3 8677 -13.845 -26.237 10.462 1.00 0.00 WAT +ATOM 32342 OH2 TIP3 8678 -12.372 -25.389 10.062 1.00 0.00 WAT +ATOM 32343 H1 TIP3 8678 -11.604 -25.908 9.782 1.00 0.00 WAT +ATOM 32344 H2 TIP3 8678 -12.018 -24.941 10.855 1.00 0.00 WAT +ATOM 32345 OH2 TIP3 8679 -7.801 -42.776 9.172 1.00 0.00 WAT +ATOM 32346 H1 TIP3 8679 -8.282 -42.132 8.623 1.00 0.00 WAT +ATOM 32347 H2 TIP3 8679 -7.626 -43.456 8.502 1.00 0.00 WAT +ATOM 32348 OH2 TIP3 8680 -21.831 -25.062 8.079 1.00 0.00 WAT +ATOM 32349 H1 TIP3 8680 -22.381 -24.412 7.602 1.00 0.00 WAT +ATOM 32350 H2 TIP3 8680 -22.132 -24.901 8.983 1.00 0.00 WAT +ATOM 32351 OH2 TIP3 8681 -19.332 -25.281 6.558 1.00 0.00 WAT +ATOM 32352 H1 TIP3 8681 -20.153 -25.018 7.012 1.00 0.00 WAT +ATOM 32353 H2 TIP3 8681 -19.236 -24.587 5.877 1.00 0.00 WAT +ATOM 32354 OH2 TIP3 8682 -14.663 -25.291 6.131 1.00 0.00 WAT +ATOM 32355 H1 TIP3 8682 -14.929 -24.805 5.324 1.00 0.00 WAT +ATOM 32356 H2 TIP3 8682 -14.515 -24.546 6.749 1.00 0.00 WAT +ATOM 32357 OH2 TIP3 8683 -12.261 -26.544 7.083 1.00 0.00 WAT +ATOM 32358 H1 TIP3 8683 -13.092 -26.164 6.740 1.00 0.00 WAT +ATOM 32359 H2 TIP3 8683 -11.681 -25.767 7.050 1.00 0.00 WAT +ATOM 32360 OH2 TIP3 8684 -9.691 -24.833 7.266 1.00 0.00 WAT +ATOM 32361 H1 TIP3 8684 -9.774 -23.877 7.068 1.00 0.00 WAT +ATOM 32362 H2 TIP3 8684 -9.423 -25.168 6.393 1.00 0.00 WAT +ATOM 32363 OH2 TIP3 8685 -22.249 -26.260 4.968 1.00 0.00 WAT +ATOM 32364 H1 TIP3 8685 -22.224 -26.708 5.839 1.00 0.00 WAT +ATOM 32365 H2 TIP3 8685 -21.447 -26.637 4.549 1.00 0.00 WAT +ATOM 32366 OH2 TIP3 8686 -20.215 -27.466 3.461 1.00 0.00 WAT +ATOM 32367 H1 TIP3 8686 -20.318 -28.406 3.703 1.00 0.00 WAT +ATOM 32368 H2 TIP3 8686 -19.287 -27.292 3.731 1.00 0.00 WAT +ATOM 32369 OH2 TIP3 8687 -17.537 -27.063 4.308 1.00 0.00 WAT +ATOM 32370 H1 TIP3 8687 -17.231 -27.962 4.110 1.00 0.00 WAT +ATOM 32371 H2 TIP3 8687 -17.380 -27.016 5.263 1.00 0.00 WAT +ATOM 32372 OH2 TIP3 8688 -14.136 -41.094 3.622 1.00 0.00 WAT +ATOM 32373 H1 TIP3 8688 -14.801 -41.763 3.861 1.00 0.00 WAT +ATOM 32374 H2 TIP3 8688 -13.571 -41.578 3.001 1.00 0.00 WAT +ATOM 32375 OH2 TIP3 8689 -8.876 -43.331 4.044 1.00 0.00 WAT +ATOM 32376 H1 TIP3 8689 -8.260 -42.893 3.430 1.00 0.00 WAT +ATOM 32377 H2 TIP3 8689 -9.733 -43.014 3.734 1.00 0.00 WAT +ATOM 32378 OH2 TIP3 8690 -6.908 -42.249 1.883 1.00 0.00 WAT +ATOM 32379 H1 TIP3 8690 -6.351 -42.439 1.123 1.00 0.00 WAT +ATOM 32380 H2 TIP3 8690 -6.715 -41.300 2.028 1.00 0.00 WAT +ATOM 32381 OH2 TIP3 8691 -21.786 -42.843 0.930 1.00 0.00 WAT +ATOM 32382 H1 TIP3 8691 -22.709 -42.956 0.673 1.00 0.00 WAT +ATOM 32383 H2 TIP3 8691 -21.527 -43.725 1.197 1.00 0.00 WAT +ATOM 32384 OH2 TIP3 8692 -23.213 -42.910 -2.833 1.00 0.00 WAT +ATOM 32385 H1 TIP3 8692 -22.738 -42.434 -3.542 1.00 0.00 WAT +ATOM 32386 H2 TIP3 8692 -23.556 -42.164 -2.307 1.00 0.00 WAT +ATOM 32387 OH2 TIP3 8693 -17.352 -42.615 1.192 1.00 0.00 WAT +ATOM 32388 H1 TIP3 8693 -16.459 -42.312 0.965 1.00 0.00 WAT +ATOM 32389 H2 TIP3 8693 -17.258 -42.834 2.123 1.00 0.00 WAT +ATOM 32390 OH2 TIP3 8694 -11.762 -42.652 2.554 1.00 0.00 WAT +ATOM 32391 H1 TIP3 8694 -11.398 -42.581 1.663 1.00 0.00 WAT +ATOM 32392 H2 TIP3 8694 -11.850 -43.604 2.691 1.00 0.00 WAT +ATOM 32393 OH2 TIP3 8695 -10.643 -42.726 -1.457 1.00 0.00 WAT +ATOM 32394 H1 TIP3 8695 -11.376 -42.111 -1.665 1.00 0.00 WAT +ATOM 32395 H2 TIP3 8695 -11.056 -43.592 -1.549 1.00 0.00 WAT +ATOM 32396 OH2 TIP3 8696 -22.763 -26.887 -1.700 1.00 0.00 WAT +ATOM 32397 H1 TIP3 8696 -23.319 -26.911 -2.490 1.00 0.00 WAT +ATOM 32398 H2 TIP3 8696 -22.636 -25.939 -1.579 1.00 0.00 WAT +ATOM 32399 OH2 TIP3 8697 -21.286 -41.288 -4.377 1.00 0.00 WAT +ATOM 32400 H1 TIP3 8697 -20.575 -41.597 -4.967 1.00 0.00 WAT +ATOM 32401 H2 TIP3 8697 -20.770 -40.747 -3.750 1.00 0.00 WAT +ATOM 32402 OH2 TIP3 8698 -16.060 -40.626 -2.092 1.00 0.00 WAT +ATOM 32403 H1 TIP3 8698 -15.979 -41.423 -1.537 1.00 0.00 WAT +ATOM 32404 H2 TIP3 8698 -15.868 -39.902 -1.465 1.00 0.00 WAT +ATOM 32405 OH2 TIP3 8699 -22.352 -41.605 10.735 1.00 0.00 WAT +ATOM 32406 H1 TIP3 8699 -22.884 -42.396 10.871 1.00 0.00 WAT +ATOM 32407 H2 TIP3 8699 -21.574 -42.021 10.335 1.00 0.00 WAT +ATOM 32408 OH2 TIP3 8700 -19.259 -42.867 13.004 1.00 0.00 WAT +ATOM 32409 H1 TIP3 8700 -18.429 -43.203 12.604 1.00 0.00 WAT +ATOM 32410 H2 TIP3 8700 -19.650 -43.674 13.368 1.00 0.00 WAT +ATOM 32411 OH2 TIP3 8701 -8.143 -27.371 11.356 1.00 0.00 WAT +ATOM 32412 H1 TIP3 8701 -8.835 -27.516 10.686 1.00 0.00 WAT +ATOM 32413 H2 TIP3 8701 -8.236 -26.408 11.501 1.00 0.00 WAT +ATOM 32414 OH2 TIP3 8702 6.111 -33.682 1.422 1.00 0.00 WAT +ATOM 32415 H1 TIP3 8702 6.073 -32.718 1.520 1.00 0.00 WAT +ATOM 32416 H2 TIP3 8702 5.360 -33.848 0.829 1.00 0.00 WAT +ATOM 32417 OH2 TIP3 8703 4.975 -34.217 4.508 1.00 0.00 WAT +ATOM 32418 H1 TIP3 8703 4.945 -34.801 5.281 1.00 0.00 WAT +ATOM 32419 H2 TIP3 8703 4.719 -34.827 3.799 1.00 0.00 WAT +ATOM 32420 OH2 TIP3 8704 -2.558 -34.644 6.180 1.00 0.00 WAT +ATOM 32421 H1 TIP3 8704 -2.568 -35.380 6.818 1.00 0.00 WAT +ATOM 32422 H2 TIP3 8704 -1.842 -34.096 6.530 1.00 0.00 WAT +ATOM 32423 OH2 TIP3 8705 8.688 -31.454 2.860 1.00 0.00 WAT +ATOM 32424 H1 TIP3 8705 8.292 -32.157 3.393 1.00 0.00 WAT +ATOM 32425 H2 TIP3 8705 8.901 -30.788 3.525 1.00 0.00 WAT +ATOM 32426 OH2 TIP3 8706 -1.893 -29.991 4.686 1.00 0.00 WAT +ATOM 32427 H1 TIP3 8706 -2.147 -30.904 4.434 1.00 0.00 WAT +ATOM 32428 H2 TIP3 8706 -0.961 -30.131 4.905 1.00 0.00 WAT +ATOM 32429 OH2 TIP3 8707 -4.925 -36.634 0.086 1.00 0.00 WAT +ATOM 32430 H1 TIP3 8707 -5.277 -35.731 0.164 1.00 0.00 WAT +ATOM 32431 H2 TIP3 8707 -5.656 -37.078 -0.361 1.00 0.00 WAT +ATOM 32432 OH2 TIP3 8708 -4.095 -34.145 1.947 1.00 0.00 WAT +ATOM 32433 H1 TIP3 8708 -3.941 -34.982 2.424 1.00 0.00 WAT +ATOM 32434 H2 TIP3 8708 -3.276 -34.047 1.442 1.00 0.00 WAT +ATOM 32435 OH2 TIP3 8709 5.705 -26.160 3.369 1.00 0.00 WAT +ATOM 32436 H1 TIP3 8709 6.313 -26.900 3.182 1.00 0.00 WAT +ATOM 32437 H2 TIP3 8709 5.416 -26.347 4.273 1.00 0.00 WAT +ATOM 32438 OH2 TIP3 8710 3.451 -31.710 5.077 1.00 0.00 WAT +ATOM 32439 H1 TIP3 8710 3.762 -32.428 4.497 1.00 0.00 WAT +ATOM 32440 H2 TIP3 8710 4.264 -31.578 5.601 1.00 0.00 WAT +ATOM 32441 OH2 TIP3 8711 12.009 -40.184 5.661 1.00 0.00 WAT +ATOM 32442 H1 TIP3 8711 12.348 -39.710 6.438 1.00 0.00 WAT +ATOM 32443 H2 TIP3 8711 12.644 -39.883 4.985 1.00 0.00 WAT +ATOM 32444 OH2 TIP3 8712 6.734 -37.405 5.568 1.00 0.00 WAT +ATOM 32445 H1 TIP3 8712 6.897 -38.361 5.541 1.00 0.00 WAT +ATOM 32446 H2 TIP3 8712 6.600 -37.206 4.627 1.00 0.00 WAT +ATOM 32447 OH2 TIP3 8713 -0.124 -39.430 2.725 1.00 0.00 WAT +ATOM 32448 H1 TIP3 8713 0.306 -38.653 2.324 1.00 0.00 WAT +ATOM 32449 H2 TIP3 8713 -0.380 -39.910 1.920 1.00 0.00 WAT +ATOM 32450 OH2 TIP3 8714 7.640 -39.241 1.112 1.00 0.00 WAT +ATOM 32451 H1 TIP3 8714 8.344 -39.602 1.679 1.00 0.00 WAT +ATOM 32452 H2 TIP3 8714 8.150 -38.813 0.409 1.00 0.00 WAT +ATOM 32453 OH2 TIP3 8715 -3.597 -36.659 3.184 1.00 0.00 WAT +ATOM 32454 H1 TIP3 8715 -2.943 -37.125 3.726 1.00 0.00 WAT +ATOM 32455 H2 TIP3 8715 -3.501 -37.121 2.331 1.00 0.00 WAT +ATOM 32456 OH2 TIP3 8716 1.768 -35.252 2.648 1.00 0.00 WAT +ATOM 32457 H1 TIP3 8716 2.499 -35.797 2.995 1.00 0.00 WAT +ATOM 32458 H2 TIP3 8716 1.293 -35.904 2.096 1.00 0.00 WAT +ATOM 32459 OH2 TIP3 8717 12.939 -38.490 8.283 1.00 0.00 WAT +ATOM 32460 H1 TIP3 8717 12.185 -37.968 7.964 1.00 0.00 WAT +ATOM 32461 H2 TIP3 8717 12.574 -38.890 9.080 1.00 0.00 WAT +ATOM 32462 OH2 TIP3 8718 -1.502 -40.552 6.832 1.00 0.00 WAT +ATOM 32463 H1 TIP3 8718 -1.791 -39.990 6.090 1.00 0.00 WAT +ATOM 32464 H2 TIP3 8718 -2.176 -40.317 7.501 1.00 0.00 WAT +ATOM 32465 OH2 TIP3 8719 6.025 -30.809 0.241 1.00 0.00 WAT +ATOM 32466 H1 TIP3 8719 5.706 -31.080 -0.624 1.00 0.00 WAT +ATOM 32467 H2 TIP3 8719 5.556 -29.967 0.389 1.00 0.00 WAT +ATOM 32468 OH2 TIP3 8720 1.463 -32.693 6.956 1.00 0.00 WAT +ATOM 32469 H1 TIP3 8720 0.723 -32.101 7.209 1.00 0.00 WAT +ATOM 32470 H2 TIP3 8720 2.074 -32.078 6.511 1.00 0.00 WAT +ATOM 32471 OH2 TIP3 8721 9.520 -40.229 3.101 1.00 0.00 WAT +ATOM 32472 H1 TIP3 8721 8.925 -40.515 3.804 1.00 0.00 WAT +ATOM 32473 H2 TIP3 8721 10.010 -39.516 3.550 1.00 0.00 WAT +ATOM 32474 OH2 TIP3 8722 -1.768 -38.632 4.710 1.00 0.00 WAT +ATOM 32475 H1 TIP3 8722 -1.153 -38.001 5.141 1.00 0.00 WAT +ATOM 32476 H2 TIP3 8722 -1.189 -38.939 3.970 1.00 0.00 WAT +ATOM 32477 OH2 TIP3 8723 -0.559 -30.816 7.684 1.00 0.00 WAT +ATOM 32478 H1 TIP3 8723 -0.590 -29.898 7.356 1.00 0.00 WAT +ATOM 32479 H2 TIP3 8723 -1.432 -30.860 8.122 1.00 0.00 WAT +ATOM 32480 OH2 TIP3 8724 -4.239 -31.102 -1.457 1.00 0.00 WAT +ATOM 32481 H1 TIP3 8724 -4.451 -30.661 -2.305 1.00 0.00 WAT +ATOM 32482 H2 TIP3 8724 -4.099 -30.355 -0.845 1.00 0.00 WAT +ATOM 32483 OH2 TIP3 8725 9.283 -29.274 5.093 1.00 0.00 WAT +ATOM 32484 H1 TIP3 8725 8.323 -29.473 5.146 1.00 0.00 WAT +ATOM 32485 H2 TIP3 8725 9.235 -28.326 5.209 1.00 0.00 WAT +ATOM 32486 OH2 TIP3 8726 9.615 -41.117 7.036 1.00 0.00 WAT +ATOM 32487 H1 TIP3 8726 8.815 -40.761 6.616 1.00 0.00 WAT +ATOM 32488 H2 TIP3 8726 10.288 -40.947 6.349 1.00 0.00 WAT +ATOM 32489 OH2 TIP3 8727 2.717 43.578 3.986 1.00 0.00 WAT +ATOM 32490 H1 TIP3 8727 2.491 42.752 4.429 1.00 0.00 WAT +ATOM 32491 H2 TIP3 8727 2.011 44.169 4.327 1.00 0.00 WAT +ATOM 32492 OH2 TIP3 8728 7.651 -27.773 2.103 1.00 0.00 WAT +ATOM 32493 H1 TIP3 8728 7.957 -28.554 1.601 1.00 0.00 WAT +ATOM 32494 H2 TIP3 8728 8.073 -27.054 1.605 1.00 0.00 WAT +ATOM 32495 OH2 TIP3 8729 8.962 -29.875 0.538 1.00 0.00 WAT +ATOM 32496 H1 TIP3 8729 8.480 -30.336 -0.165 1.00 0.00 WAT +ATOM 32497 H2 TIP3 8729 8.893 -30.524 1.265 1.00 0.00 WAT +ATOM 32498 OH2 TIP3 8730 10.506 -31.018 8.998 1.00 0.00 WAT +ATOM 32499 H1 TIP3 8730 10.395 -31.683 8.293 1.00 0.00 WAT +ATOM 32500 H2 TIP3 8730 10.667 -30.202 8.499 1.00 0.00 WAT +ATOM 32501 OH2 TIP3 8731 4.766 -34.191 -1.226 1.00 0.00 WAT +ATOM 32502 H1 TIP3 8731 4.122 -33.572 -1.617 1.00 0.00 WAT +ATOM 32503 H2 TIP3 8731 5.491 -34.169 -1.872 1.00 0.00 WAT +ATOM 32504 OH2 TIP3 8732 5.033 -35.950 -4.260 1.00 0.00 WAT +ATOM 32505 H1 TIP3 8732 5.716 -35.640 -3.638 1.00 0.00 WAT +ATOM 32506 H2 TIP3 8732 5.566 -36.510 -4.843 1.00 0.00 WAT +ATOM 32507 OH2 TIP3 8733 12.250 -34.884 6.944 1.00 0.00 WAT +ATOM 32508 H1 TIP3 8733 11.533 -34.228 7.035 1.00 0.00 WAT +ATOM 32509 H2 TIP3 8733 12.725 -34.542 6.163 1.00 0.00 WAT +ATOM 32510 OH2 TIP3 8734 8.289 -34.124 -0.225 1.00 0.00 WAT +ATOM 32511 H1 TIP3 8734 7.578 -33.932 0.430 1.00 0.00 WAT +ATOM 32512 H2 TIP3 8734 8.854 -34.722 0.295 1.00 0.00 WAT +ATOM 32513 OH2 TIP3 8735 8.116 -35.618 8.615 1.00 0.00 WAT +ATOM 32514 H1 TIP3 8735 8.161 -34.796 9.133 1.00 0.00 WAT +ATOM 32515 H2 TIP3 8735 7.454 -35.339 7.956 1.00 0.00 WAT +ATOM 32516 OH2 TIP3 8736 -0.133 -33.370 1.556 1.00 0.00 WAT +ATOM 32517 H1 TIP3 8736 -0.454 -33.787 0.732 1.00 0.00 WAT +ATOM 32518 H2 TIP3 8736 0.503 -34.030 1.883 1.00 0.00 WAT +ATOM 32519 OH2 TIP3 8737 1.245 -29.960 4.282 1.00 0.00 WAT +ATOM 32520 H1 TIP3 8737 1.114 -30.374 3.419 1.00 0.00 WAT +ATOM 32521 H2 TIP3 8737 2.029 -30.439 4.615 1.00 0.00 WAT +ATOM 32522 OH2 TIP3 8738 0.460 -34.597 5.075 1.00 0.00 WAT +ATOM 32523 H1 TIP3 8738 0.996 -34.570 4.258 1.00 0.00 WAT +ATOM 32524 H2 TIP3 8738 0.863 -33.895 5.619 1.00 0.00 WAT +ATOM 32525 OH2 TIP3 8739 6.567 -29.085 5.642 1.00 0.00 WAT +ATOM 32526 H1 TIP3 8739 6.390 -28.380 6.288 1.00 0.00 WAT +ATOM 32527 H2 TIP3 8739 6.200 -29.876 6.076 1.00 0.00 WAT +ATOM 32528 OH2 TIP3 8740 1.282 -30.269 9.896 1.00 0.00 WAT +ATOM 32529 H1 TIP3 8740 0.782 -29.572 10.360 1.00 0.00 WAT +ATOM 32530 H2 TIP3 8740 0.652 -30.508 9.189 1.00 0.00 WAT +ATOM 32531 OH2 TIP3 8741 7.229 -34.705 -2.769 1.00 0.00 WAT +ATOM 32532 H1 TIP3 8741 7.703 -34.439 -1.954 1.00 0.00 WAT +ATOM 32533 H2 TIP3 8741 7.725 -34.188 -3.451 1.00 0.00 WAT +ATOM 32534 OH2 TIP3 8742 -1.759 -33.884 9.029 1.00 0.00 WAT +ATOM 32535 H1 TIP3 8742 -1.714 -33.263 9.781 1.00 0.00 WAT +ATOM 32536 H2 TIP3 8742 -2.720 -33.960 8.905 1.00 0.00 WAT +ATOM 32537 OH2 TIP3 8743 4.761 -28.134 0.830 1.00 0.00 WAT +ATOM 32538 H1 TIP3 8743 5.193 -27.807 1.628 1.00 0.00 WAT +ATOM 32539 H2 TIP3 8743 4.164 -27.420 0.593 1.00 0.00 WAT +ATOM 32540 OH2 TIP3 8744 -0.591 -28.091 10.685 1.00 0.00 WAT +ATOM 32541 H1 TIP3 8744 -0.710 -28.012 9.723 1.00 0.00 WAT +ATOM 32542 H2 TIP3 8744 -1.484 -28.323 10.998 1.00 0.00 WAT +ATOM 32543 OH2 TIP3 8745 10.483 -43.307 -3.525 1.00 0.00 WAT +ATOM 32544 H1 TIP3 8745 9.905 -43.202 -2.748 1.00 0.00 WAT +ATOM 32545 H2 TIP3 8745 11.187 -42.679 -3.306 1.00 0.00 WAT +ATOM 32546 OH2 TIP3 8746 -1.232 -34.589 -0.915 1.00 0.00 WAT +ATOM 32547 H1 TIP3 8746 -1.433 -33.825 -1.488 1.00 0.00 WAT +ATOM 32548 H2 TIP3 8746 -1.879 -35.238 -1.221 1.00 0.00 WAT +ATOM 32549 OH2 TIP3 8747 12.034 -28.774 -4.660 1.00 0.00 WAT +ATOM 32550 H1 TIP3 8747 12.215 -27.824 -4.528 1.00 0.00 WAT +ATOM 32551 H2 TIP3 8747 12.910 -29.173 -4.493 1.00 0.00 WAT +ATOM 32552 OH2 TIP3 8748 -5.138 -31.957 7.819 1.00 0.00 WAT +ATOM 32553 H1 TIP3 8748 -5.589 -31.928 6.950 1.00 0.00 WAT +ATOM 32554 H2 TIP3 8748 -5.032 -32.915 7.961 1.00 0.00 WAT +ATOM 32555 OH2 TIP3 8749 -5.103 -29.053 4.741 1.00 0.00 WAT +ATOM 32556 H1 TIP3 8749 -4.166 -29.279 4.821 1.00 0.00 WAT +ATOM 32557 H2 TIP3 8749 -5.201 -28.372 5.424 1.00 0.00 WAT +ATOM 32558 OH2 TIP3 8750 13.282 -28.402 10.501 1.00 0.00 WAT +ATOM 32559 H1 TIP3 8750 13.173 -29.352 10.327 1.00 0.00 WAT +ATOM 32560 H2 TIP3 8750 12.370 -28.153 10.768 1.00 0.00 WAT +ATOM 32561 OH2 TIP3 8751 3.942 -29.198 9.319 1.00 0.00 WAT +ATOM 32562 H1 TIP3 8751 4.024 -28.373 9.844 1.00 0.00 WAT +ATOM 32563 H2 TIP3 8751 3.036 -29.480 9.551 1.00 0.00 WAT +ATOM 32564 OH2 TIP3 8752 -1.947 -26.222 0.940 1.00 0.00 WAT +ATOM 32565 H1 TIP3 8752 -1.876 -26.689 1.798 1.00 0.00 WAT +ATOM 32566 H2 TIP3 8752 -2.785 -26.587 0.613 1.00 0.00 WAT +ATOM 32567 OH2 TIP3 8753 7.544 -25.946 -3.094 1.00 0.00 WAT +ATOM 32568 H1 TIP3 8753 8.111 -26.397 -3.748 1.00 0.00 WAT +ATOM 32569 H2 TIP3 8753 7.523 -26.624 -2.405 1.00 0.00 WAT +ATOM 32570 OH2 TIP3 8754 10.077 -37.086 10.914 1.00 0.00 WAT +ATOM 32571 H1 TIP3 8754 9.569 -36.683 10.196 1.00 0.00 WAT +ATOM 32572 H2 TIP3 8754 10.149 -38.010 10.614 1.00 0.00 WAT +ATOM 32573 OH2 TIP3 8755 -2.961 -30.412 9.052 1.00 0.00 WAT +ATOM 32574 H1 TIP3 8755 -2.699 -30.882 9.869 1.00 0.00 WAT +ATOM 32575 H2 TIP3 8755 -3.704 -30.946 8.715 1.00 0.00 WAT +ATOM 32576 OH2 TIP3 8756 0.294 -42.195 4.944 1.00 0.00 WAT +ATOM 32577 H1 TIP3 8756 -0.560 -42.456 4.567 1.00 0.00 WAT +ATOM 32578 H2 TIP3 8756 0.070 -41.330 5.319 1.00 0.00 WAT +ATOM 32579 OH2 TIP3 8757 4.795 -42.662 8.522 1.00 0.00 WAT +ATOM 32580 H1 TIP3 8757 4.997 -43.088 9.360 1.00 0.00 WAT +ATOM 32581 H2 TIP3 8757 3.834 -42.754 8.481 1.00 0.00 WAT +ATOM 32582 OH2 TIP3 8758 7.785 -38.635 8.975 1.00 0.00 WAT +ATOM 32583 H1 TIP3 8758 7.192 -38.743 9.741 1.00 0.00 WAT +ATOM 32584 H2 TIP3 8758 7.726 -37.683 8.783 1.00 0.00 WAT +ATOM 32585 OH2 TIP3 8759 8.789 -33.598 -4.747 1.00 0.00 WAT +ATOM 32586 H1 TIP3 8759 8.566 -33.776 -5.683 1.00 0.00 WAT +ATOM 32587 H2 TIP3 8759 9.731 -33.363 -4.828 1.00 0.00 WAT +ATOM 32588 OH2 TIP3 8760 4.334 -39.979 -4.058 1.00 0.00 WAT +ATOM 32589 H1 TIP3 8760 3.829 -40.059 -3.239 1.00 0.00 WAT +ATOM 32590 H2 TIP3 8760 3.843 -40.591 -4.650 1.00 0.00 WAT +ATOM 32591 OH2 TIP3 8761 0.071 -37.158 6.243 1.00 0.00 WAT +ATOM 32592 H1 TIP3 8761 -0.571 -37.029 6.961 1.00 0.00 WAT +ATOM 32593 H2 TIP3 8761 0.155 -36.252 5.871 1.00 0.00 WAT +ATOM 32594 OH2 TIP3 8762 0.087 -37.030 1.107 1.00 0.00 WAT +ATOM 32595 H1 TIP3 8762 -0.860 -37.196 0.960 1.00 0.00 WAT +ATOM 32596 H2 TIP3 8762 0.460 -37.295 0.246 1.00 0.00 WAT +ATOM 32597 OH2 TIP3 8763 5.443 -36.631 -0.049 1.00 0.00 WAT +ATOM 32598 H1 TIP3 8763 4.990 -35.877 -0.471 1.00 0.00 WAT +ATOM 32599 H2 TIP3 8763 5.986 -36.972 -0.772 1.00 0.00 WAT +ATOM 32600 OH2 TIP3 8764 4.848 -36.321 11.227 1.00 0.00 WAT +ATOM 32601 H1 TIP3 8764 4.327 -37.059 11.602 1.00 0.00 WAT +ATOM 32602 H2 TIP3 8764 5.714 -36.441 11.660 1.00 0.00 WAT +ATOM 32603 OH2 TIP3 8765 6.540 -37.028 2.539 1.00 0.00 WAT +ATOM 32604 H1 TIP3 8765 6.127 -36.516 1.811 1.00 0.00 WAT +ATOM 32605 H2 TIP3 8765 6.649 -37.877 2.064 1.00 0.00 WAT +ATOM 32606 OH2 TIP3 8766 -2.525 -36.981 8.049 1.00 0.00 WAT +ATOM 32607 H1 TIP3 8766 -2.271 -36.669 8.925 1.00 0.00 WAT +ATOM 32608 H2 TIP3 8766 -2.933 -37.843 8.259 1.00 0.00 WAT +ATOM 32609 OH2 TIP3 8767 0.808 -39.455 -5.373 1.00 0.00 WAT +ATOM 32610 H1 TIP3 8767 0.503 -39.793 -4.512 1.00 0.00 WAT +ATOM 32611 H2 TIP3 8767 -0.015 -39.304 -5.858 1.00 0.00 WAT +ATOM 32612 OH2 TIP3 8768 -5.774 -39.650 1.729 1.00 0.00 WAT +ATOM 32613 H1 TIP3 8768 -5.187 -39.538 2.501 1.00 0.00 WAT +ATOM 32614 H2 TIP3 8768 -5.163 -39.886 1.023 1.00 0.00 WAT +ATOM 32615 OH2 TIP3 8769 -4.164 -39.112 -2.584 1.00 0.00 WAT +ATOM 32616 H1 TIP3 8769 -3.603 -38.601 -3.201 1.00 0.00 WAT +ATOM 32617 H2 TIP3 8769 -4.863 -38.454 -2.400 1.00 0.00 WAT +ATOM 32618 OH2 TIP3 8770 5.635 -35.436 7.137 1.00 0.00 WAT +ATOM 32619 H1 TIP3 8770 6.039 -36.162 6.610 1.00 0.00 WAT +ATOM 32620 H2 TIP3 8770 5.264 -35.916 7.888 1.00 0.00 WAT +ATOM 32621 OH2 TIP3 8771 -2.661 -38.296 0.878 1.00 0.00 WAT +ATOM 32622 H1 TIP3 8771 -3.417 -37.979 0.352 1.00 0.00 WAT +ATOM 32623 H2 TIP3 8771 -2.336 -39.074 0.386 1.00 0.00 WAT +ATOM 32624 OH2 TIP3 8772 1.109 -37.918 -1.546 1.00 0.00 WAT +ATOM 32625 H1 TIP3 8772 2.059 -37.915 -1.349 1.00 0.00 WAT +ATOM 32626 H2 TIP3 8772 0.992 -37.192 -2.176 1.00 0.00 WAT +ATOM 32627 OH2 TIP3 8773 7.108 -40.377 5.088 1.00 0.00 WAT +ATOM 32628 H1 TIP3 8773 6.500 -40.362 5.855 1.00 0.00 WAT +ATOM 32629 H2 TIP3 8773 6.443 -40.595 4.398 1.00 0.00 WAT +ATOM 32630 OH2 TIP3 8774 -0.549 -36.728 -3.716 1.00 0.00 WAT +ATOM 32631 H1 TIP3 8774 -1.106 -36.959 -4.472 1.00 0.00 WAT +ATOM 32632 H2 TIP3 8774 0.291 -36.525 -4.160 1.00 0.00 WAT +ATOM 32633 OH2 TIP3 8775 10.185 -24.524 11.818 1.00 0.00 WAT +ATOM 32634 H1 TIP3 8775 10.405 -24.123 10.956 1.00 0.00 WAT +ATOM 32635 H2 TIP3 8775 10.920 -24.211 12.372 1.00 0.00 WAT +ATOM 32636 OH2 TIP3 8776 -1.895 -31.978 11.244 1.00 0.00 WAT +ATOM 32637 H1 TIP3 8776 -1.215 -31.864 11.941 1.00 0.00 WAT +ATOM 32638 H2 TIP3 8776 -2.698 -31.923 11.797 1.00 0.00 WAT +ATOM 32639 OH2 TIP3 8777 3.857 -36.964 3.996 1.00 0.00 WAT +ATOM 32640 H1 TIP3 8777 4.384 -37.467 3.358 1.00 0.00 WAT +ATOM 32641 H2 TIP3 8777 3.672 -37.636 4.676 1.00 0.00 WAT +ATOM 32642 OH2 TIP3 8778 -1.024 -40.629 0.193 1.00 0.00 WAT +ATOM 32643 H1 TIP3 8778 -1.443 -41.505 0.231 1.00 0.00 WAT +ATOM 32644 H2 TIP3 8778 -0.204 -40.779 -0.299 1.00 0.00 WAT +ATOM 32645 OH2 TIP3 8779 2.764 -38.528 6.279 1.00 0.00 WAT +ATOM 32646 H1 TIP3 8779 2.040 -37.888 6.185 1.00 0.00 WAT +ATOM 32647 H2 TIP3 8779 3.258 -38.189 7.053 1.00 0.00 WAT +ATOM 32648 OH2 TIP3 8780 2.967 -32.128 -1.873 1.00 0.00 WAT +ATOM 32649 H1 TIP3 8780 2.205 -32.619 -2.250 1.00 0.00 WAT +ATOM 32650 H2 TIP3 8780 2.743 -32.090 -0.916 1.00 0.00 WAT +ATOM 32651 OH2 TIP3 8781 10.148 -32.921 6.856 1.00 0.00 WAT +ATOM 32652 H1 TIP3 8781 10.648 -32.419 6.179 1.00 0.00 WAT +ATOM 32653 H2 TIP3 8781 9.301 -33.084 6.395 1.00 0.00 WAT +ATOM 32654 OH2 TIP3 8782 7.009 -39.250 -4.288 1.00 0.00 WAT +ATOM 32655 H1 TIP3 8782 6.040 -39.372 -4.173 1.00 0.00 WAT +ATOM 32656 H2 TIP3 8782 7.235 -38.658 -3.541 1.00 0.00 WAT +ATOM 32657 OH2 TIP3 8783 4.584 -32.078 9.428 1.00 0.00 WAT +ATOM 32658 H1 TIP3 8783 4.275 -32.392 10.289 1.00 0.00 WAT +ATOM 32659 H2 TIP3 8783 4.284 -31.155 9.425 1.00 0.00 WAT +ATOM 32660 OH2 TIP3 8784 7.719 -37.487 -2.088 1.00 0.00 WAT +ATOM 32661 H1 TIP3 8784 8.584 -37.612 -1.651 1.00 0.00 WAT +ATOM 32662 H2 TIP3 8784 7.795 -36.582 -2.439 1.00 0.00 WAT +ATOM 32663 OH2 TIP3 8785 -1.901 -32.699 3.943 1.00 0.00 WAT +ATOM 32664 H1 TIP3 8785 -1.380 -32.804 3.129 1.00 0.00 WAT +ATOM 32665 H2 TIP3 8785 -1.824 -33.576 4.349 1.00 0.00 WAT +ATOM 32666 OH2 TIP3 8786 5.327 -30.726 -2.972 1.00 0.00 WAT +ATOM 32667 H1 TIP3 8786 5.071 -29.892 -2.541 1.00 0.00 WAT +ATOM 32668 H2 TIP3 8786 4.603 -31.318 -2.698 1.00 0.00 WAT +ATOM 32669 OH2 TIP3 8787 -4.683 -34.436 9.200 1.00 0.00 WAT +ATOM 32670 H1 TIP3 8787 -4.512 -34.895 10.046 1.00 0.00 WAT +ATOM 32671 H2 TIP3 8787 -5.268 -35.050 8.728 1.00 0.00 WAT +ATOM 32672 OH2 TIP3 8788 2.300 -34.946 11.190 1.00 0.00 WAT +ATOM 32673 H1 TIP3 8788 1.945 -35.172 10.312 1.00 0.00 WAT +ATOM 32674 H2 TIP3 8788 3.236 -35.191 11.072 1.00 0.00 WAT +ATOM 32675 OH2 TIP3 8789 6.851 -29.506 8.909 1.00 0.00 WAT +ATOM 32676 H1 TIP3 8789 5.886 -29.402 8.849 1.00 0.00 WAT +ATOM 32677 H2 TIP3 8789 7.019 -29.220 9.823 1.00 0.00 WAT +ATOM 32678 OH2 TIP3 8790 12.378 -37.461 -2.332 1.00 0.00 WAT +ATOM 32679 H1 TIP3 8790 11.807 -37.644 -3.105 1.00 0.00 WAT +ATOM 32680 H2 TIP3 8790 12.490 -36.497 -2.462 1.00 0.00 WAT +ATOM 32681 OH2 TIP3 8791 12.816 -31.415 10.483 1.00 0.00 WAT +ATOM 32682 H1 TIP3 8791 11.881 -31.183 10.298 1.00 0.00 WAT +ATOM 32683 H2 TIP3 8791 13.150 -31.577 9.580 1.00 0.00 WAT +ATOM 32684 OH2 TIP3 8792 10.576 -28.827 -2.194 1.00 0.00 WAT +ATOM 32685 H1 TIP3 8792 10.375 -29.654 -1.731 1.00 0.00 WAT +ATOM 32686 H2 TIP3 8792 11.067 -29.131 -2.974 1.00 0.00 WAT +ATOM 32687 OH2 TIP3 8793 7.832 -33.500 5.151 1.00 0.00 WAT +ATOM 32688 H1 TIP3 8793 6.895 -33.643 4.915 1.00 0.00 WAT +ATOM 32689 H2 TIP3 8793 8.251 -34.227 4.648 1.00 0.00 WAT +ATOM 32690 OH2 TIP3 8794 0.454 -29.413 1.147 1.00 0.00 WAT +ATOM 32691 H1 TIP3 8794 0.859 -28.541 1.053 1.00 0.00 WAT +ATOM 32692 H2 TIP3 8794 -0.473 -29.232 0.938 1.00 0.00 WAT +ATOM 32693 OH2 TIP3 8795 -3.555 -34.634 -4.183 1.00 0.00 WAT +ATOM 32694 H1 TIP3 8795 -2.986 -33.936 -3.810 1.00 0.00 WAT +ATOM 32695 H2 TIP3 8795 -4.434 -34.335 -3.882 1.00 0.00 WAT +ATOM 32696 OH2 TIP3 8796 2.281 -31.710 0.831 1.00 0.00 WAT +ATOM 32697 H1 TIP3 8796 1.926 -30.814 0.951 1.00 0.00 WAT +ATOM 32698 H2 TIP3 8796 1.583 -32.244 1.238 1.00 0.00 WAT +ATOM 32699 OH2 TIP3 8797 2.484 -27.456 7.130 1.00 0.00 WAT +ATOM 32700 H1 TIP3 8797 3.011 -26.666 6.916 1.00 0.00 WAT +ATOM 32701 H2 TIP3 8797 3.072 -27.912 7.753 1.00 0.00 WAT +ATOM 32702 OH2 TIP3 8798 0.962 -26.320 0.397 1.00 0.00 WAT +ATOM 32703 H1 TIP3 8798 -0.008 -26.356 0.481 1.00 0.00 WAT +ATOM 32704 H2 TIP3 8798 1.187 -25.616 1.014 1.00 0.00 WAT +ATOM 32705 OH2 TIP3 8799 5.858 -31.720 6.735 1.00 0.00 WAT +ATOM 32706 H1 TIP3 8799 5.555 -31.979 7.624 1.00 0.00 WAT +ATOM 32707 H2 TIP3 8799 6.576 -32.354 6.577 1.00 0.00 WAT +ATOM 32708 OH2 TIP3 8800 8.049 -30.365 -4.336 1.00 0.00 WAT +ATOM 32709 H1 TIP3 8800 8.449 -30.864 -3.600 1.00 0.00 WAT +ATOM 32710 H2 TIP3 8800 7.112 -30.538 -4.142 1.00 0.00 WAT +ATOM 32711 OH2 TIP3 8801 8.833 -27.140 9.093 1.00 0.00 WAT +ATOM 32712 H1 TIP3 8801 7.985 -27.504 8.778 1.00 0.00 WAT +ATOM 32713 H2 TIP3 8801 8.913 -26.323 8.567 1.00 0.00 WAT +ATOM 32714 OH2 TIP3 8802 12.781 -25.998 -3.897 1.00 0.00 WAT +ATOM 32715 H1 TIP3 8802 13.494 -25.339 -3.982 1.00 0.00 WAT +ATOM 32716 H2 TIP3 8802 12.011 -25.405 -3.838 1.00 0.00 WAT +ATOM 32717 OH2 TIP3 8803 -3.344 -39.611 8.792 1.00 0.00 WAT +ATOM 32718 H1 TIP3 8803 -4.255 -39.414 8.479 1.00 0.00 WAT +ATOM 32719 H2 TIP3 8803 -3.508 -40.480 9.217 1.00 0.00 WAT +ATOM 32720 OH2 TIP3 8804 8.998 -31.772 -1.943 1.00 0.00 WAT +ATOM 32721 H1 TIP3 8804 8.713 -32.519 -1.386 1.00 0.00 WAT +ATOM 32722 H2 TIP3 8804 9.967 -31.841 -1.879 1.00 0.00 WAT +ATOM 32723 OH2 TIP3 8805 -3.567 -28.021 7.197 1.00 0.00 WAT +ATOM 32724 H1 TIP3 8805 -3.290 -28.930 7.377 1.00 0.00 WAT +ATOM 32725 H2 TIP3 8805 -3.380 -27.600 8.044 1.00 0.00 WAT +ATOM 32726 OH2 TIP3 8806 2.304 -29.363 -5.761 1.00 0.00 WAT +ATOM 32727 H1 TIP3 8806 2.557 -30.155 -6.267 1.00 0.00 WAT +ATOM 32728 H2 TIP3 8806 1.844 -29.759 -4.998 1.00 0.00 WAT +ATOM 32729 OH2 TIP3 8807 1.209 -29.854 -3.113 1.00 0.00 WAT +ATOM 32730 H1 TIP3 8807 1.595 -30.386 -2.405 1.00 0.00 WAT +ATOM 32731 H2 TIP3 8807 1.248 -28.948 -2.747 1.00 0.00 WAT +ATOM 32732 OH2 TIP3 8808 -2.030 -32.403 -2.637 1.00 0.00 WAT +ATOM 32733 H1 TIP3 8808 -2.798 -32.025 -2.164 1.00 0.00 WAT +ATOM 32734 H2 TIP3 8808 -1.645 -31.585 -3.001 1.00 0.00 WAT +ATOM 32735 OH2 TIP3 8809 5.574 -40.074 7.444 1.00 0.00 WAT +ATOM 32736 H1 TIP3 8809 6.207 -39.808 8.125 1.00 0.00 WAT +ATOM 32737 H2 TIP3 8809 5.215 -40.912 7.784 1.00 0.00 WAT +ATOM 32738 OH2 TIP3 8810 6.640 -40.707 -1.460 1.00 0.00 WAT +ATOM 32739 H1 TIP3 8810 6.296 -40.085 -2.112 1.00 0.00 WAT +ATOM 32740 H2 TIP3 8810 6.407 -40.259 -0.632 1.00 0.00 WAT +ATOM 32741 OH2 TIP3 8811 4.082 -28.034 -2.338 1.00 0.00 WAT +ATOM 32742 H1 TIP3 8811 3.152 -27.742 -2.329 1.00 0.00 WAT +ATOM 32743 H2 TIP3 8811 4.355 -27.808 -3.241 1.00 0.00 WAT +ATOM 32744 OH2 TIP3 8812 4.002 -37.612 8.725 1.00 0.00 WAT +ATOM 32745 H1 TIP3 8812 4.107 -37.087 9.537 1.00 0.00 WAT +ATOM 32746 H2 TIP3 8812 4.598 -38.354 8.880 1.00 0.00 WAT +ATOM 32747 OH2 TIP3 8813 1.336 -27.159 -2.410 1.00 0.00 WAT +ATOM 32748 H1 TIP3 8813 1.103 -26.441 -3.034 1.00 0.00 WAT +ATOM 32749 H2 TIP3 8813 1.086 -26.762 -1.557 1.00 0.00 WAT +ATOM 32750 OH2 TIP3 8814 0.210 -40.530 -2.815 1.00 0.00 WAT +ATOM 32751 H1 TIP3 8814 0.229 -39.677 -2.340 1.00 0.00 WAT +ATOM 32752 H2 TIP3 8814 1.068 -40.898 -2.549 1.00 0.00 WAT +ATOM 32753 OH2 TIP3 8815 10.396 -39.634 9.534 1.00 0.00 WAT +ATOM 32754 H1 TIP3 8815 9.431 -39.519 9.433 1.00 0.00 WAT +ATOM 32755 H2 TIP3 8815 10.609 -39.873 8.621 1.00 0.00 WAT +ATOM 32756 OH2 TIP3 8816 8.803 -35.731 3.639 1.00 0.00 WAT +ATOM 32757 H1 TIP3 8816 7.991 -36.159 3.297 1.00 0.00 WAT +ATOM 32758 H2 TIP3 8816 9.266 -36.477 4.077 1.00 0.00 WAT +ATOM 32759 OH2 TIP3 8817 -1.621 -29.718 -3.863 1.00 0.00 WAT +ATOM 32760 H1 TIP3 8817 -1.000 -29.030 -3.582 1.00 0.00 WAT +ATOM 32761 H2 TIP3 8817 -1.092 -30.162 -4.543 1.00 0.00 WAT +ATOM 32762 OH2 TIP3 8818 -3.480 -37.451 -4.800 1.00 0.00 WAT +ATOM 32763 H1 TIP3 8818 -3.330 -36.513 -4.568 1.00 0.00 WAT +ATOM 32764 H2 TIP3 8818 -4.359 -37.408 -5.199 1.00 0.00 WAT +ATOM 32765 OH2 TIP3 8819 -3.381 -42.438 4.167 1.00 0.00 WAT +ATOM 32766 H1 TIP3 8819 -2.970 -42.408 3.294 1.00 0.00 WAT +ATOM 32767 H2 TIP3 8819 -3.112 -43.328 4.442 1.00 0.00 WAT +ATOM 32768 OH2 TIP3 8820 -3.627 -28.755 0.221 1.00 0.00 WAT +ATOM 32769 H1 TIP3 8820 -4.455 -28.288 0.399 1.00 0.00 WAT +ATOM 32770 H2 TIP3 8820 -3.335 -28.311 -0.588 1.00 0.00 WAT +ATOM 32771 OH2 TIP3 8821 -4.208 -25.987 11.401 1.00 0.00 WAT +ATOM 32772 H1 TIP3 8821 -3.698 -26.245 12.193 1.00 0.00 WAT +ATOM 32773 H2 TIP3 8821 -4.650 -26.822 11.154 1.00 0.00 WAT +ATOM 32774 OH2 TIP3 8822 0.482 -26.922 13.235 1.00 0.00 WAT +ATOM 32775 H1 TIP3 8822 1.153 -27.603 13.398 1.00 0.00 WAT +ATOM 32776 H2 TIP3 8822 0.226 -27.137 12.324 1.00 0.00 WAT +ATOM 32777 OH2 TIP3 8823 4.500 -27.692 -5.145 1.00 0.00 WAT +ATOM 32778 H1 TIP3 8823 3.715 -28.244 -5.362 1.00 0.00 WAT +ATOM 32779 H2 TIP3 8823 5.187 -28.177 -5.630 1.00 0.00 WAT +ATOM 32780 OH2 TIP3 8824 6.937 -28.698 11.775 1.00 0.00 WAT +ATOM 32781 H1 TIP3 8824 6.521 -29.480 12.179 1.00 0.00 WAT +ATOM 32782 H2 TIP3 8824 7.593 -28.434 12.442 1.00 0.00 WAT +ATOM 32783 OH2 TIP3 8825 9.062 -27.645 -5.073 1.00 0.00 WAT +ATOM 32784 H1 TIP3 8825 9.185 -28.508 -4.643 1.00 0.00 WAT +ATOM 32785 H2 TIP3 8825 9.826 -27.612 -5.677 1.00 0.00 WAT +ATOM 32786 OH2 TIP3 8826 -4.319 -32.380 12.560 1.00 0.00 WAT +ATOM 32787 H1 TIP3 8826 -4.210 -33.255 12.156 1.00 0.00 WAT +ATOM 32788 H2 TIP3 8826 -5.067 -32.033 12.037 1.00 0.00 WAT +ATOM 32789 OH2 TIP3 8827 -0.077 -31.937 -5.437 1.00 0.00 WAT +ATOM 32790 H1 TIP3 8827 0.089 -32.513 -4.673 1.00 0.00 WAT +ATOM 32791 H2 TIP3 8827 0.786 -31.973 -5.891 1.00 0.00 WAT +ATOM 32792 OH2 TIP3 8828 2.329 -32.164 11.889 1.00 0.00 WAT +ATOM 32793 H1 TIP3 8828 2.021 -31.813 11.036 1.00 0.00 WAT +ATOM 32794 H2 TIP3 8828 2.386 -33.127 11.723 1.00 0.00 WAT +ATOM 32795 OH2 TIP3 8829 5.182 -30.604 -5.829 1.00 0.00 WAT +ATOM 32796 H1 TIP3 8829 5.088 -30.645 -4.861 1.00 0.00 WAT +ATOM 32797 H2 TIP3 8829 5.116 -31.558 -6.046 1.00 0.00 WAT +ATOM 32798 OH2 TIP3 8830 7.700 -32.538 9.282 1.00 0.00 WAT +ATOM 32799 H1 TIP3 8830 8.473 -31.982 9.102 1.00 0.00 WAT +ATOM 32800 H2 TIP3 8830 6.990 -31.875 9.270 1.00 0.00 WAT +ATOM 32801 OH2 TIP3 8831 -3.452 -35.259 11.715 1.00 0.00 WAT +ATOM 32802 H1 TIP3 8831 -2.683 -35.852 11.737 1.00 0.00 WAT +ATOM 32803 H2 TIP3 8831 -3.491 -34.979 12.643 1.00 0.00 WAT +ATOM 32804 OH2 TIP3 8832 1.026 -33.862 -3.081 1.00 0.00 WAT +ATOM 32805 H1 TIP3 8832 0.377 -34.343 -2.547 1.00 0.00 WAT +ATOM 32806 H2 TIP3 8832 1.295 -34.542 -3.730 1.00 0.00 WAT +ATOM 32807 OH2 TIP3 8833 0.209 -36.080 9.183 1.00 0.00 WAT +ATOM 32808 H1 TIP3 8833 -0.339 -35.285 9.330 1.00 0.00 WAT +ATOM 32809 H2 TIP3 8833 0.842 -35.754 8.518 1.00 0.00 WAT +ATOM 32810 OH2 TIP3 8834 1.948 -35.851 -4.843 1.00 0.00 WAT +ATOM 32811 H1 TIP3 8834 1.905 -35.733 -5.811 1.00 0.00 WAT +ATOM 32812 H2 TIP3 8834 2.913 -35.866 -4.696 1.00 0.00 WAT +ATOM 32813 OH2 TIP3 8835 5.525 -33.379 12.718 1.00 0.00 WAT +ATOM 32814 H1 TIP3 8835 6.423 -33.559 12.404 1.00 0.00 WAT +ATOM 32815 H2 TIP3 8835 5.276 -34.230 13.103 1.00 0.00 WAT +ATOM 32816 OH2 TIP3 8836 11.470 -33.314 -5.521 1.00 0.00 WAT +ATOM 32817 H1 TIP3 8836 11.347 -33.731 -6.386 1.00 0.00 WAT +ATOM 32818 H2 TIP3 8836 11.360 -32.367 -5.757 1.00 0.00 WAT +ATOM 32819 OH2 TIP3 8837 0.799 -38.793 10.256 1.00 0.00 WAT +ATOM 32820 H1 TIP3 8837 0.888 -39.428 9.528 1.00 0.00 WAT +ATOM 32821 H2 TIP3 8837 0.608 -37.969 9.774 1.00 0.00 WAT +ATOM 32822 OH2 TIP3 8838 1.186 -40.388 7.673 1.00 0.00 WAT +ATOM 32823 H1 TIP3 8838 1.724 -39.809 7.087 1.00 0.00 WAT +ATOM 32824 H2 TIP3 8838 0.282 -40.251 7.322 1.00 0.00 WAT +ATOM 32825 OH2 TIP3 8839 2.710 -34.870 8.157 1.00 0.00 WAT +ATOM 32826 H1 TIP3 8839 3.529 -34.941 7.648 1.00 0.00 WAT +ATOM 32827 H2 TIP3 8839 2.374 -34.004 7.850 1.00 0.00 WAT +ATOM 32828 OH2 TIP3 8840 7.262 -36.934 12.933 1.00 0.00 WAT +ATOM 32829 H1 TIP3 8840 7.488 -37.867 13.068 1.00 0.00 WAT +ATOM 32830 H2 TIP3 8840 8.143 -36.529 12.882 1.00 0.00 WAT +ATOM 32831 OH2 TIP3 8841 8.244 -34.152 11.416 1.00 0.00 WAT +ATOM 32832 H1 TIP3 8841 7.892 -33.536 10.739 1.00 0.00 WAT +ATOM 32833 H2 TIP3 8841 9.139 -34.297 11.049 1.00 0.00 WAT +ATOM 32834 OH2 TIP3 8842 -0.969 -36.976 12.137 1.00 0.00 WAT +ATOM 32835 H1 TIP3 8842 -1.487 -37.797 12.084 1.00 0.00 WAT +ATOM 32836 H2 TIP3 8842 -0.175 -37.213 11.634 1.00 0.00 WAT +ATOM 32837 OH2 TIP3 8843 1.667 -42.779 8.853 1.00 0.00 WAT +ATOM 32838 H1 TIP3 8843 1.804 -41.858 8.541 1.00 0.00 WAT +ATOM 32839 H2 TIP3 8843 0.721 -42.848 8.676 1.00 0.00 WAT +ATOM 32840 OH2 TIP3 8844 3.150 -38.457 11.860 1.00 0.00 WAT +ATOM 32841 H1 TIP3 8844 2.812 -38.700 12.739 1.00 0.00 WAT +ATOM 32842 H2 TIP3 8844 2.345 -38.621 11.327 1.00 0.00 WAT +ATOM 32843 OH2 TIP3 8845 5.738 -39.452 10.840 1.00 0.00 WAT +ATOM 32844 H1 TIP3 8845 4.848 -39.295 11.207 1.00 0.00 WAT +ATOM 32845 H2 TIP3 8845 6.104 -40.096 11.471 1.00 0.00 WAT +ATOM 32846 OH2 TIP3 8846 7.446 -41.368 12.522 1.00 0.00 WAT +ATOM 32847 H1 TIP3 8846 7.320 -42.240 12.914 1.00 0.00 WAT +ATOM 32848 H2 TIP3 8846 7.324 -40.771 13.279 1.00 0.00 WAT +ATOM 32849 OH2 TIP3 8847 -2.164 -39.610 11.971 1.00 0.00 WAT +ATOM 32850 H1 TIP3 8847 -2.448 -40.190 11.243 1.00 0.00 WAT +ATOM 32851 H2 TIP3 8847 -2.659 -39.969 12.721 1.00 0.00 WAT +ATOM 32852 OH2 TIP3 8848 2.760 -41.476 12.995 1.00 0.00 WAT +ATOM 32853 H1 TIP3 8848 2.538 -42.283 12.496 1.00 0.00 WAT +ATOM 32854 H2 TIP3 8848 1.923 -40.978 13.000 1.00 0.00 WAT +ATOM 32855 OH2 TIP3 8849 1.670 -24.425 -3.657 1.00 0.00 WAT +ATOM 32856 H1 TIP3 8849 2.629 -24.453 -3.693 1.00 0.00 WAT +ATOM 32857 H2 TIP3 8849 1.463 -24.203 -4.581 1.00 0.00 WAT +ATOM 32858 OH2 TIP3 8850 -4.466 -30.227 -4.120 1.00 0.00 WAT +ATOM 32859 H1 TIP3 8850 -3.562 -29.857 -4.144 1.00 0.00 WAT +ATOM 32860 H2 TIP3 8850 -4.434 -30.871 -4.849 1.00 0.00 WAT +ATOM 32861 OH2 TIP3 8851 -5.602 -25.132 0.248 1.00 0.00 WAT +ATOM 32862 H1 TIP3 8851 -6.525 -25.309 -0.003 1.00 0.00 WAT +ATOM 32863 H2 TIP3 8851 -5.496 -25.725 1.011 1.00 0.00 WAT +ATOM 32864 OH2 TIP3 8852 -4.967 -26.929 2.486 1.00 0.00 WAT +ATOM 32865 H1 TIP3 8852 -5.276 -27.802 2.768 1.00 0.00 WAT +ATOM 32866 H2 TIP3 8852 -4.740 -26.550 3.347 1.00 0.00 WAT +ATOM 32867 OH2 TIP3 8853 12.444 -26.168 8.375 1.00 0.00 WAT +ATOM 32868 H1 TIP3 8853 11.943 -26.883 7.954 1.00 0.00 WAT +ATOM 32869 H2 TIP3 8853 13.033 -26.669 8.954 1.00 0.00 WAT +ATOM 32870 OH2 TIP3 8854 10.456 -30.861 12.695 1.00 0.00 WAT +ATOM 32871 H1 TIP3 8854 9.565 -30.768 13.072 1.00 0.00 WAT +ATOM 32872 H2 TIP3 8854 10.899 -30.045 12.984 1.00 0.00 WAT +ATOM 32873 OH2 TIP3 8855 11.842 -31.944 -1.572 1.00 0.00 WAT +ATOM 32874 H1 TIP3 8855 12.751 -31.620 -1.429 1.00 0.00 WAT +ATOM 32875 H2 TIP3 8855 11.771 -32.588 -0.843 1.00 0.00 WAT +ATOM 32876 OH2 TIP3 8856 12.305 -33.966 0.404 1.00 0.00 WAT +ATOM 32877 H1 TIP3 8856 11.641 -34.551 0.822 1.00 0.00 WAT +ATOM 32878 H2 TIP3 8856 12.995 -33.881 1.089 1.00 0.00 WAT +ATOM 32879 OH2 TIP3 8857 11.989 -31.472 5.369 1.00 0.00 WAT +ATOM 32880 H1 TIP3 8857 12.587 -32.002 4.817 1.00 0.00 WAT +ATOM 32881 H2 TIP3 8857 12.209 -30.566 5.100 1.00 0.00 WAT +ATOM 32882 OH2 TIP3 8858 10.712 -28.453 7.470 1.00 0.00 WAT +ATOM 32883 H1 TIP3 8858 10.035 -28.097 8.083 1.00 0.00 WAT +ATOM 32884 H2 TIP3 8858 10.188 -29.013 6.871 1.00 0.00 WAT +ATOM 32885 OH2 TIP3 8859 12.569 -34.540 -3.022 1.00 0.00 WAT +ATOM 32886 H1 TIP3 8859 12.058 -34.263 -3.806 1.00 0.00 WAT +ATOM 32887 H2 TIP3 8859 12.434 -33.778 -2.437 1.00 0.00 WAT +ATOM 32888 OH2 TIP3 8860 10.868 -36.999 -4.768 1.00 0.00 WAT +ATOM 32889 H1 TIP3 8860 11.099 -36.380 -5.475 1.00 0.00 WAT +ATOM 32890 H2 TIP3 8860 10.591 -37.790 -5.265 1.00 0.00 WAT +ATOM 32891 OH2 TIP3 8861 10.288 -35.848 1.233 1.00 0.00 WAT +ATOM 32892 H1 TIP3 8861 10.163 -36.786 1.007 1.00 0.00 WAT +ATOM 32893 H2 TIP3 8861 9.850 -35.775 2.104 1.00 0.00 WAT +ATOM 32894 OH2 TIP3 8862 -4.913 -33.678 4.911 1.00 0.00 WAT +ATOM 32895 H1 TIP3 8862 -4.674 -33.590 3.972 1.00 0.00 WAT +ATOM 32896 H2 TIP3 8862 -4.034 -33.860 5.303 1.00 0.00 WAT +ATOM 32897 OH2 TIP3 8863 10.857 -33.920 10.350 1.00 0.00 WAT +ATOM 32898 H1 TIP3 8863 11.586 -34.546 10.517 1.00 0.00 WAT +ATOM 32899 H2 TIP3 8863 11.329 -33.092 10.186 1.00 0.00 WAT +ATOM 32900 OH2 TIP3 8864 12.400 -35.834 11.578 1.00 0.00 WAT +ATOM 32901 H1 TIP3 8864 11.613 -36.369 11.340 1.00 0.00 WAT +ATOM 32902 H2 TIP3 8864 13.102 -36.510 11.557 1.00 0.00 WAT +ATOM 32903 OH2 TIP3 8865 10.263 -39.700 -5.605 1.00 0.00 WAT +ATOM 32904 H1 TIP3 8865 10.840 -40.122 -4.945 1.00 0.00 WAT +ATOM 32905 H2 TIP3 8865 9.433 -40.188 -5.514 1.00 0.00 WAT +ATOM 32906 OH2 TIP3 8866 10.107 -38.258 -0.579 1.00 0.00 WAT +ATOM 32907 H1 TIP3 8866 10.247 -39.233 -0.545 1.00 0.00 WAT +ATOM 32908 H2 TIP3 8866 10.921 -37.982 -1.034 1.00 0.00 WAT +ATOM 32909 OH2 TIP3 8867 10.333 -37.765 4.788 1.00 0.00 WAT +ATOM 32910 H1 TIP3 8867 11.308 -37.673 4.765 1.00 0.00 WAT +ATOM 32911 H2 TIP3 8867 10.190 -37.750 5.749 1.00 0.00 WAT +ATOM 32912 OH2 TIP3 8868 10.485 -37.065 7.656 1.00 0.00 WAT +ATOM 32913 H1 TIP3 8868 9.642 -36.641 7.907 1.00 0.00 WAT +ATOM 32914 H2 TIP3 8868 11.036 -36.292 7.431 1.00 0.00 WAT +ATOM 32915 OH2 TIP3 8869 -5.047 -38.369 11.477 1.00 0.00 WAT +ATOM 32916 H1 TIP3 8869 -4.137 -38.580 11.228 1.00 0.00 WAT +ATOM 32917 H2 TIP3 8869 -5.485 -39.230 11.401 1.00 0.00 WAT +ATOM 32918 OH2 TIP3 8870 12.626 -42.784 13.417 1.00 0.00 WAT +ATOM 32919 H1 TIP3 8870 13.182 -43.541 13.204 1.00 0.00 WAT +ATOM 32920 H2 TIP3 8870 12.672 -42.178 12.642 1.00 0.00 WAT +ATOM 32921 OH2 TIP3 8871 10.379 -40.977 -0.521 1.00 0.00 WAT +ATOM 32922 H1 TIP3 8871 10.602 -41.505 0.256 1.00 0.00 WAT +ATOM 32923 H2 TIP3 8871 9.778 -41.578 -0.997 1.00 0.00 WAT +ATOM 32924 OH2 TIP3 8872 -4.291 -39.891 4.145 1.00 0.00 WAT +ATOM 32925 H1 TIP3 8872 -3.990 -40.822 4.237 1.00 0.00 WAT +ATOM 32926 H2 TIP3 8872 -3.495 -39.404 4.427 1.00 0.00 WAT +ATOM 32927 OH2 TIP3 8873 -5.694 -37.278 5.154 1.00 0.00 WAT +ATOM 32928 H1 TIP3 8873 -5.097 -37.331 4.390 1.00 0.00 WAT +ATOM 32929 H2 TIP3 8873 -5.325 -36.514 5.616 1.00 0.00 WAT +ATOM 32930 OH2 TIP3 8874 12.439 -41.114 11.266 1.00 0.00 WAT +ATOM 32931 H1 TIP3 8874 11.587 -40.644 11.340 1.00 0.00 WAT +ATOM 32932 H2 TIP3 8874 12.345 -41.468 10.364 1.00 0.00 WAT +ATOM 32933 OH2 TIP3 8875 12.511 -40.590 -3.892 1.00 0.00 WAT +ATOM 32934 H1 TIP3 8875 12.701 -41.429 -4.363 1.00 0.00 WAT +ATOM 32935 H2 TIP3 8875 13.366 -40.138 -3.903 1.00 0.00 WAT +ATOM 32936 OH2 TIP3 8876 -5.145 -41.068 -0.848 1.00 0.00 WAT +ATOM 32937 H1 TIP3 8876 -6.097 -40.915 -0.983 1.00 0.00 WAT +ATOM 32938 H2 TIP3 8876 -4.743 -40.345 -1.375 1.00 0.00 WAT +ATOM 32939 OH2 TIP3 8877 9.291 -25.616 1.050 1.00 0.00 WAT +ATOM 32940 H1 TIP3 8877 9.931 -25.928 0.382 1.00 0.00 WAT +ATOM 32941 H2 TIP3 8877 9.854 -25.099 1.642 1.00 0.00 WAT +ATOM 32942 OH2 TIP3 8878 -5.418 -41.265 7.764 1.00 0.00 WAT +ATOM 32943 H1 TIP3 8878 -5.345 -42.214 7.988 1.00 0.00 WAT +ATOM 32944 H2 TIP3 8878 -5.573 -41.310 6.809 1.00 0.00 WAT +ATOM 32945 OH2 TIP3 8879 -3.165 -29.071 12.054 1.00 0.00 WAT +ATOM 32946 H1 TIP3 8879 -3.883 -28.962 11.412 1.00 0.00 WAT +ATOM 32947 H2 TIP3 8879 -3.614 -28.930 12.896 1.00 0.00 WAT +ATOM 32948 OH2 TIP3 8880 -0.311 -27.959 7.692 1.00 0.00 WAT +ATOM 32949 H1 TIP3 8880 -0.623 -27.087 7.396 1.00 0.00 WAT +ATOM 32950 H2 TIP3 8880 0.644 -27.860 7.507 1.00 0.00 WAT +ATOM 32951 OH2 TIP3 8881 4.073 -26.761 10.761 1.00 0.00 WAT +ATOM 32952 H1 TIP3 8881 4.369 -26.850 11.677 1.00 0.00 WAT +ATOM 32953 H2 TIP3 8881 4.813 -26.216 10.392 1.00 0.00 WAT +ATOM 32954 OH2 TIP3 8882 6.210 -25.375 9.954 1.00 0.00 WAT +ATOM 32955 H1 TIP3 8882 7.044 -25.668 9.582 1.00 0.00 WAT +ATOM 32956 H2 TIP3 8882 6.491 -24.638 10.513 1.00 0.00 WAT +ATOM 32957 OH2 TIP3 8883 11.058 -42.764 9.175 1.00 0.00 WAT +ATOM 32958 H1 TIP3 8883 10.556 -42.148 8.613 1.00 0.00 WAT +ATOM 32959 H2 TIP3 8883 11.300 -43.429 8.510 1.00 0.00 WAT +ATOM 32960 OH2 TIP3 8884 -2.892 -25.003 8.064 1.00 0.00 WAT +ATOM 32961 H1 TIP3 8884 -3.535 -24.453 7.575 1.00 0.00 WAT +ATOM 32962 H2 TIP3 8884 -3.272 -24.957 8.949 1.00 0.00 WAT +ATOM 32963 OH2 TIP3 8885 -0.285 -25.127 6.775 1.00 0.00 WAT +ATOM 32964 H1 TIP3 8885 -1.133 -25.007 7.249 1.00 0.00 WAT +ATOM 32965 H2 TIP3 8885 -0.409 -24.541 6.019 1.00 0.00 WAT +ATOM 32966 OH2 TIP3 8886 4.272 -25.132 6.266 1.00 0.00 WAT +ATOM 32967 H1 TIP3 8886 3.919 -24.616 5.520 1.00 0.00 WAT +ATOM 32968 H2 TIP3 8886 4.424 -24.427 6.921 1.00 0.00 WAT +ATOM 32969 OH2 TIP3 8887 6.667 -26.428 6.985 1.00 0.00 WAT +ATOM 32970 H1 TIP3 8887 5.763 -26.098 6.824 1.00 0.00 WAT +ATOM 32971 H2 TIP3 8887 7.124 -25.578 7.097 1.00 0.00 WAT +ATOM 32972 OH2 TIP3 8888 9.338 -25.006 7.032 1.00 0.00 WAT +ATOM 32973 H1 TIP3 8888 9.037 -24.077 7.144 1.00 0.00 WAT +ATOM 32974 H2 TIP3 8888 9.515 -24.989 6.084 1.00 0.00 WAT +ATOM 32975 OH2 TIP3 8889 -3.262 -26.185 5.007 1.00 0.00 WAT +ATOM 32976 H1 TIP3 8889 -3.362 -26.691 5.841 1.00 0.00 WAT +ATOM 32977 H2 TIP3 8889 -2.573 -26.701 4.549 1.00 0.00 WAT +ATOM 32978 OH2 TIP3 8890 -1.318 -27.496 3.422 1.00 0.00 WAT +ATOM 32979 H1 TIP3 8890 -1.508 -28.417 3.699 1.00 0.00 WAT +ATOM 32980 H2 TIP3 8890 -0.420 -27.357 3.778 1.00 0.00 WAT +ATOM 32981 OH2 TIP3 8891 1.404 -27.043 4.326 1.00 0.00 WAT +ATOM 32982 H1 TIP3 8891 1.576 -27.984 4.141 1.00 0.00 WAT +ATOM 32983 H2 TIP3 8891 1.517 -27.034 5.291 1.00 0.00 WAT +ATOM 32984 OH2 TIP3 8892 4.922 -41.149 3.669 1.00 0.00 WAT +ATOM 32985 H1 TIP3 8892 4.023 -41.495 3.691 1.00 0.00 WAT +ATOM 32986 H2 TIP3 8892 5.211 -41.310 2.762 1.00 0.00 WAT +ATOM 32987 OH2 TIP3 8893 10.019 -43.365 4.023 1.00 0.00 WAT +ATOM 32988 H1 TIP3 8893 10.635 -42.898 3.430 1.00 0.00 WAT +ATOM 32989 H2 TIP3 8893 9.177 -42.963 3.803 1.00 0.00 WAT +ATOM 32990 OH2 TIP3 8894 11.976 -42.260 1.905 1.00 0.00 WAT +ATOM 32991 H1 TIP3 8894 12.473 -42.450 1.102 1.00 0.00 WAT +ATOM 32992 H2 TIP3 8894 12.129 -41.302 2.013 1.00 0.00 WAT +ATOM 32993 OH2 TIP3 8895 -2.915 -42.852 0.915 1.00 0.00 WAT +ATOM 32994 H1 TIP3 8895 -3.843 -43.021 0.719 1.00 0.00 WAT +ATOM 32995 H2 TIP3 8895 -2.621 -43.685 1.294 1.00 0.00 WAT +ATOM 32996 OH2 TIP3 8896 -4.332 -42.900 -2.843 1.00 0.00 WAT +ATOM 32997 H1 TIP3 8896 -3.848 -42.404 -3.531 1.00 0.00 WAT +ATOM 32998 H2 TIP3 8896 -4.700 -42.171 -2.311 1.00 0.00 WAT +ATOM 32999 OH2 TIP3 8897 2.038 -42.942 1.220 1.00 0.00 WAT +ATOM 33000 H1 TIP3 8897 2.279 -42.049 0.846 1.00 0.00 WAT +ATOM 33001 H2 TIP3 8897 1.330 -42.668 1.820 1.00 0.00 WAT +ATOM 33002 OH2 TIP3 8898 6.640 -43.038 2.207 1.00 0.00 WAT +ATOM 33003 H1 TIP3 8898 7.299 -42.593 1.650 1.00 0.00 WAT +ATOM 33004 H2 TIP3 8898 7.188 -43.570 2.793 1.00 0.00 WAT +ATOM 33005 OH2 TIP3 8899 8.343 -42.816 -1.641 1.00 0.00 WAT +ATOM 33006 H1 TIP3 8899 7.657 -42.104 -1.666 1.00 0.00 WAT +ATOM 33007 H2 TIP3 8899 7.809 -43.596 -1.445 1.00 0.00 WAT +ATOM 33008 OH2 TIP3 8900 -4.258 -26.980 -1.983 1.00 0.00 WAT +ATOM 33009 H1 TIP3 8900 -4.691 -27.032 -2.840 1.00 0.00 WAT +ATOM 33010 H2 TIP3 8900 -4.140 -26.016 -1.927 1.00 0.00 WAT +ATOM 33011 OH2 TIP3 8901 -2.315 -41.288 -4.287 1.00 0.00 WAT +ATOM 33012 H1 TIP3 8901 -1.629 -41.575 -4.919 1.00 0.00 WAT +ATOM 33013 H2 TIP3 8901 -1.796 -40.713 -3.699 1.00 0.00 WAT +ATOM 33014 OH2 TIP3 8902 4.918 -24.987 -3.388 1.00 0.00 WAT +ATOM 33015 H1 TIP3 8902 5.809 -25.185 -3.729 1.00 0.00 WAT +ATOM 33016 H2 TIP3 8902 4.410 -25.623 -3.918 1.00 0.00 WAT +ATOM 33017 OH2 TIP3 8903 11.302 -26.128 -1.057 1.00 0.00 WAT +ATOM 33018 H1 TIP3 8903 11.127 -26.962 -1.540 1.00 0.00 WAT +ATOM 33019 H2 TIP3 8903 11.273 -25.481 -1.784 1.00 0.00 WAT +ATOM 33020 OH2 TIP3 8904 -3.315 -41.782 10.407 1.00 0.00 WAT +ATOM 33021 H1 TIP3 8904 -3.755 -42.590 10.703 1.00 0.00 WAT +ATOM 33022 H2 TIP3 8904 -2.426 -42.140 10.265 1.00 0.00 WAT +ATOM 33023 OH2 TIP3 8905 -0.373 -42.790 13.035 1.00 0.00 WAT +ATOM 33024 H1 TIP3 8905 0.496 -43.050 12.658 1.00 0.00 WAT +ATOM 33025 H2 TIP3 8905 -0.613 -43.582 13.527 1.00 0.00 WAT +ATOM 33026 OH2 TIP3 8906 10.740 -27.346 11.301 1.00 0.00 WAT +ATOM 33027 H1 TIP3 8906 9.995 -27.508 10.692 1.00 0.00 WAT +ATOM 33028 H2 TIP3 8906 10.604 -26.400 11.495 1.00 0.00 WAT +ATOM 33029 OH2 TIP3 8907 24.967 -33.665 1.439 1.00 0.00 WAT +ATOM 33030 H1 TIP3 8907 24.958 -32.699 1.545 1.00 0.00 WAT +ATOM 33031 H2 TIP3 8907 24.196 -33.796 0.870 1.00 0.00 WAT +ATOM 33032 OH2 TIP3 8908 23.834 -34.225 4.509 1.00 0.00 WAT +ATOM 33033 H1 TIP3 8908 23.803 -34.787 5.299 1.00 0.00 WAT +ATOM 33034 H2 TIP3 8908 23.544 -34.840 3.819 1.00 0.00 WAT +ATOM 33035 OH2 TIP3 8909 16.285 -34.637 6.182 1.00 0.00 WAT +ATOM 33036 H1 TIP3 8909 16.277 -35.387 6.806 1.00 0.00 WAT +ATOM 33037 H2 TIP3 8909 17.001 -34.099 6.550 1.00 0.00 WAT +ATOM 33038 OH2 TIP3 8910 27.515 -31.500 2.832 1.00 0.00 WAT +ATOM 33039 H1 TIP3 8910 27.120 -32.195 3.375 1.00 0.00 WAT +ATOM 33040 H2 TIP3 8910 27.766 -30.853 3.505 1.00 0.00 WAT +ATOM 33041 OH2 TIP3 8911 16.924 -30.020 4.681 1.00 0.00 WAT +ATOM 33042 H1 TIP3 8911 16.734 -30.949 4.429 1.00 0.00 WAT +ATOM 33043 H2 TIP3 8911 17.868 -30.098 4.886 1.00 0.00 WAT +ATOM 33044 OH2 TIP3 8912 13.936 -36.614 0.075 1.00 0.00 WAT +ATOM 33045 H1 TIP3 8912 13.545 -35.729 0.149 1.00 0.00 WAT +ATOM 33046 H2 TIP3 8912 13.211 -37.106 -0.329 1.00 0.00 WAT +ATOM 33047 OH2 TIP3 8913 14.754 -34.132 1.937 1.00 0.00 WAT +ATOM 33048 H1 TIP3 8913 14.902 -34.976 2.408 1.00 0.00 WAT +ATOM 33049 H2 TIP3 8913 15.580 -34.039 1.445 1.00 0.00 WAT +ATOM 33050 OH2 TIP3 8914 24.567 -26.137 3.384 1.00 0.00 WAT +ATOM 33051 H1 TIP3 8914 25.164 -26.848 3.085 1.00 0.00 WAT +ATOM 33052 H2 TIP3 8914 24.277 -26.459 4.246 1.00 0.00 WAT +ATOM 33053 OH2 TIP3 8915 22.304 -31.718 5.083 1.00 0.00 WAT +ATOM 33054 H1 TIP3 8915 22.631 -32.426 4.501 1.00 0.00 WAT +ATOM 33055 H2 TIP3 8915 23.120 -31.557 5.595 1.00 0.00 WAT +ATOM 33056 OH2 TIP3 8916 30.862 -40.171 5.642 1.00 0.00 WAT +ATOM 33057 H1 TIP3 8916 31.199 -39.723 6.433 1.00 0.00 WAT +ATOM 33058 H2 TIP3 8916 31.515 -39.877 4.981 1.00 0.00 WAT +ATOM 33059 OH2 TIP3 8917 25.588 -37.405 5.600 1.00 0.00 WAT +ATOM 33060 H1 TIP3 8917 25.785 -38.357 5.605 1.00 0.00 WAT +ATOM 33061 H2 TIP3 8917 25.504 -37.235 4.648 1.00 0.00 WAT +ATOM 33062 OH2 TIP3 8918 18.544 -39.412 2.694 1.00 0.00 WAT +ATOM 33063 H1 TIP3 8918 18.720 -38.564 2.242 1.00 0.00 WAT +ATOM 33064 H2 TIP3 8918 18.226 -39.944 1.939 1.00 0.00 WAT +ATOM 33065 OH2 TIP3 8919 26.457 -39.216 1.024 1.00 0.00 WAT +ATOM 33066 H1 TIP3 8919 27.069 -39.645 1.656 1.00 0.00 WAT +ATOM 33067 H2 TIP3 8919 27.083 -38.770 0.434 1.00 0.00 WAT +ATOM 33068 OH2 TIP3 8920 15.264 -36.622 3.166 1.00 0.00 WAT +ATOM 33069 H1 TIP3 8920 15.872 -37.114 3.740 1.00 0.00 WAT +ATOM 33070 H2 TIP3 8920 15.338 -37.119 2.332 1.00 0.00 WAT +ATOM 33071 OH2 TIP3 8921 20.645 -35.252 2.628 1.00 0.00 WAT +ATOM 33072 H1 TIP3 8921 21.351 -35.801 3.019 1.00 0.00 WAT +ATOM 33073 H2 TIP3 8921 20.141 -35.919 2.126 1.00 0.00 WAT +ATOM 33074 OH2 TIP3 8922 31.806 -38.470 8.305 1.00 0.00 WAT +ATOM 33075 H1 TIP3 8922 31.047 -37.969 7.960 1.00 0.00 WAT +ATOM 33076 H2 TIP3 8922 31.412 -38.907 9.069 1.00 0.00 WAT +ATOM 33077 OH2 TIP3 8923 17.363 -40.563 6.843 1.00 0.00 WAT +ATOM 33078 H1 TIP3 8923 17.031 -40.005 6.119 1.00 0.00 WAT +ATOM 33079 H2 TIP3 8923 16.695 -40.363 7.530 1.00 0.00 WAT +ATOM 33080 OH2 TIP3 8924 24.871 -30.815 0.224 1.00 0.00 WAT +ATOM 33081 H1 TIP3 8924 24.563 -31.020 -0.663 1.00 0.00 WAT +ATOM 33082 H2 TIP3 8924 24.421 -29.970 0.410 1.00 0.00 WAT +ATOM 33083 OH2 TIP3 8925 20.314 -32.694 6.952 1.00 0.00 WAT +ATOM 33084 H1 TIP3 8925 19.574 -32.098 7.198 1.00 0.00 WAT +ATOM 33085 H2 TIP3 8925 20.929 -32.086 6.505 1.00 0.00 WAT +ATOM 33086 OH2 TIP3 8926 28.342 -40.141 3.046 1.00 0.00 WAT +ATOM 33087 H1 TIP3 8926 27.850 -40.604 3.735 1.00 0.00 WAT +ATOM 33088 H2 TIP3 8926 28.851 -39.500 3.571 1.00 0.00 WAT +ATOM 33089 OH2 TIP3 8927 16.977 -38.560 4.788 1.00 0.00 WAT +ATOM 33090 H1 TIP3 8927 17.608 -37.948 5.222 1.00 0.00 WAT +ATOM 33091 H2 TIP3 8927 17.540 -38.897 4.055 1.00 0.00 WAT +ATOM 33092 OH2 TIP3 8928 18.291 -30.833 7.675 1.00 0.00 WAT +ATOM 33093 H1 TIP3 8928 18.269 -29.911 7.359 1.00 0.00 WAT +ATOM 33094 H2 TIP3 8928 17.429 -30.876 8.132 1.00 0.00 WAT +ATOM 33095 OH2 TIP3 8929 14.601 -31.106 -1.440 1.00 0.00 WAT +ATOM 33096 H1 TIP3 8929 14.425 -30.633 -2.275 1.00 0.00 WAT +ATOM 33097 H2 TIP3 8929 14.766 -30.390 -0.800 1.00 0.00 WAT +ATOM 33098 OH2 TIP3 8930 28.062 -29.668 5.335 1.00 0.00 WAT +ATOM 33099 H1 TIP3 8930 27.091 -29.557 5.353 1.00 0.00 WAT +ATOM 33100 H2 TIP3 8930 28.327 -28.809 4.958 1.00 0.00 WAT +ATOM 33101 OH2 TIP3 8931 28.488 -41.097 7.056 1.00 0.00 WAT +ATOM 33102 H1 TIP3 8931 27.681 -40.779 6.618 1.00 0.00 WAT +ATOM 33103 H2 TIP3 8931 29.149 -40.968 6.351 1.00 0.00 WAT +ATOM 33104 OH2 TIP3 8932 21.594 43.813 4.089 1.00 0.00 WAT +ATOM 33105 H1 TIP3 8932 21.552 42.854 4.175 1.00 0.00 WAT +ATOM 33106 H2 TIP3 8932 20.715 44.121 4.389 1.00 0.00 WAT +ATOM 33107 OH2 TIP3 8933 26.393 -27.762 1.937 1.00 0.00 WAT +ATOM 33108 H1 TIP3 8933 26.881 -28.525 1.572 1.00 0.00 WAT +ATOM 33109 H2 TIP3 8933 27.019 -27.032 1.767 1.00 0.00 WAT +ATOM 33110 OH2 TIP3 8934 27.837 -29.898 0.507 1.00 0.00 WAT +ATOM 33111 H1 TIP3 8934 27.285 -30.324 -0.163 1.00 0.00 WAT +ATOM 33112 H2 TIP3 8934 27.752 -30.526 1.250 1.00 0.00 WAT +ATOM 33113 OH2 TIP3 8935 29.377 -31.051 9.004 1.00 0.00 WAT +ATOM 33114 H1 TIP3 8935 29.243 -31.693 8.283 1.00 0.00 WAT +ATOM 33115 H2 TIP3 8935 29.462 -30.212 8.510 1.00 0.00 WAT +ATOM 33116 OH2 TIP3 8936 23.609 -34.162 -1.295 1.00 0.00 WAT +ATOM 33117 H1 TIP3 8936 22.950 -33.537 -1.656 1.00 0.00 WAT +ATOM 33118 H2 TIP3 8936 24.324 -34.091 -1.947 1.00 0.00 WAT +ATOM 33119 OH2 TIP3 8937 23.904 -35.961 -4.245 1.00 0.00 WAT +ATOM 33120 H1 TIP3 8937 24.592 -35.646 -3.630 1.00 0.00 WAT +ATOM 33121 H2 TIP3 8937 24.428 -36.529 -4.827 1.00 0.00 WAT +ATOM 33122 OH2 TIP3 8938 31.114 -34.870 6.952 1.00 0.00 WAT +ATOM 33123 H1 TIP3 8938 30.382 -34.226 7.020 1.00 0.00 WAT +ATOM 33124 H2 TIP3 8938 31.584 -34.533 6.164 1.00 0.00 WAT +ATOM 33125 OH2 TIP3 8939 27.129 -34.150 -0.220 1.00 0.00 WAT +ATOM 33126 H1 TIP3 8939 26.442 -33.924 0.448 1.00 0.00 WAT +ATOM 33127 H2 TIP3 8939 27.727 -34.705 0.311 1.00 0.00 WAT +ATOM 33128 OH2 TIP3 8940 26.969 -35.616 8.614 1.00 0.00 WAT +ATOM 33129 H1 TIP3 8940 27.017 -34.799 9.137 1.00 0.00 WAT +ATOM 33130 H2 TIP3 8940 26.317 -35.326 7.950 1.00 0.00 WAT +ATOM 33131 OH2 TIP3 8941 18.702 -33.381 1.564 1.00 0.00 WAT +ATOM 33132 H1 TIP3 8941 18.404 -33.803 0.735 1.00 0.00 WAT +ATOM 33133 H2 TIP3 8941 19.373 -34.010 1.882 1.00 0.00 WAT +ATOM 33134 OH2 TIP3 8942 20.057 -29.994 4.314 1.00 0.00 WAT +ATOM 33135 H1 TIP3 8942 19.973 -30.334 3.412 1.00 0.00 WAT +ATOM 33136 H2 TIP3 8942 20.872 -30.436 4.620 1.00 0.00 WAT +ATOM 33137 OH2 TIP3 8943 19.321 -34.583 5.057 1.00 0.00 WAT +ATOM 33138 H1 TIP3 8943 19.876 -34.533 4.254 1.00 0.00 WAT +ATOM 33139 H2 TIP3 8943 19.708 -33.891 5.626 1.00 0.00 WAT +ATOM 33140 OH2 TIP3 8944 25.281 -29.062 5.625 1.00 0.00 WAT +ATOM 33141 H1 TIP3 8944 25.271 -28.379 6.317 1.00 0.00 WAT +ATOM 33142 H2 TIP3 8944 25.029 -29.873 6.101 1.00 0.00 WAT +ATOM 33143 OH2 TIP3 8945 20.146 -30.254 9.887 1.00 0.00 WAT +ATOM 33144 H1 TIP3 8945 19.635 -29.574 10.364 1.00 0.00 WAT +ATOM 33145 H2 TIP3 8945 19.513 -30.507 9.188 1.00 0.00 WAT +ATOM 33146 OH2 TIP3 8946 26.095 -34.725 -2.760 1.00 0.00 WAT +ATOM 33147 H1 TIP3 8946 26.554 -34.426 -1.947 1.00 0.00 WAT +ATOM 33148 H2 TIP3 8946 26.582 -34.204 -3.446 1.00 0.00 WAT +ATOM 33149 OH2 TIP3 8947 17.088 -33.852 9.005 1.00 0.00 WAT +ATOM 33150 H1 TIP3 8947 17.136 -33.267 9.784 1.00 0.00 WAT +ATOM 33151 H2 TIP3 8947 16.128 -33.982 8.922 1.00 0.00 WAT +ATOM 33152 OH2 TIP3 8948 23.545 -28.102 0.811 1.00 0.00 WAT +ATOM 33153 H1 TIP3 8948 23.983 -27.768 1.602 1.00 0.00 WAT +ATOM 33154 H2 TIP3 8948 23.060 -27.323 0.494 1.00 0.00 WAT +ATOM 33155 OH2 TIP3 8949 18.264 -28.081 10.697 1.00 0.00 WAT +ATOM 33156 H1 TIP3 8949 18.148 -28.007 9.734 1.00 0.00 WAT +ATOM 33157 H2 TIP3 8949 17.375 -28.332 11.010 1.00 0.00 WAT +ATOM 33158 OH2 TIP3 8950 29.272 -43.207 -3.544 1.00 0.00 WAT +ATOM 33159 H1 TIP3 8950 28.847 -43.237 -2.676 1.00 0.00 WAT +ATOM 33160 H2 TIP3 8950 30.059 -42.687 -3.329 1.00 0.00 WAT +ATOM 33161 OH2 TIP3 8951 17.629 -34.626 -0.896 1.00 0.00 WAT +ATOM 33162 H1 TIP3 8951 17.446 -33.869 -1.480 1.00 0.00 WAT +ATOM 33163 H2 TIP3 8951 16.979 -35.272 -1.202 1.00 0.00 WAT +ATOM 33164 OH2 TIP3 8952 30.895 -28.835 -4.711 1.00 0.00 WAT +ATOM 33165 H1 TIP3 8952 31.041 -27.891 -4.502 1.00 0.00 WAT +ATOM 33166 H2 TIP3 8952 31.770 -29.221 -4.517 1.00 0.00 WAT +ATOM 33167 OH2 TIP3 8953 13.685 -31.967 7.812 1.00 0.00 WAT +ATOM 33168 H1 TIP3 8953 13.278 -32.007 6.926 1.00 0.00 WAT +ATOM 33169 H2 TIP3 8953 13.842 -32.911 8.005 1.00 0.00 WAT +ATOM 33170 OH2 TIP3 8954 13.686 -28.962 4.876 1.00 0.00 WAT +ATOM 33171 H1 TIP3 8954 14.549 -29.376 4.710 1.00 0.00 WAT +ATOM 33172 H2 TIP3 8954 13.912 -28.463 5.682 1.00 0.00 WAT +ATOM 33173 OH2 TIP3 8955 32.145 -28.414 10.517 1.00 0.00 WAT +ATOM 33174 H1 TIP3 8955 32.034 -29.362 10.323 1.00 0.00 WAT +ATOM 33175 H2 TIP3 8955 31.233 -28.181 10.803 1.00 0.00 WAT +ATOM 33176 OH2 TIP3 8956 22.797 -29.204 9.326 1.00 0.00 WAT +ATOM 33177 H1 TIP3 8956 22.866 -28.370 9.834 1.00 0.00 WAT +ATOM 33178 H2 TIP3 8956 21.888 -29.491 9.544 1.00 0.00 WAT +ATOM 33179 OH2 TIP3 8957 23.173 -25.402 -0.731 1.00 0.00 WAT +ATOM 33180 H1 TIP3 8957 23.089 -25.254 -1.690 1.00 0.00 WAT +ATOM 33181 H2 TIP3 8957 23.084 -24.505 -0.373 1.00 0.00 WAT +ATOM 33182 OH2 TIP3 8958 16.967 -26.383 0.838 1.00 0.00 WAT +ATOM 33183 H1 TIP3 8958 17.049 -26.649 1.773 1.00 0.00 WAT +ATOM 33184 H2 TIP3 8958 16.052 -26.609 0.638 1.00 0.00 WAT +ATOM 33185 OH2 TIP3 8959 26.396 -25.955 -3.533 1.00 0.00 WAT +ATOM 33186 H1 TIP3 8959 26.955 -26.622 -3.978 1.00 0.00 WAT +ATOM 33187 H2 TIP3 8959 26.323 -26.331 -2.632 1.00 0.00 WAT +ATOM 33188 OH2 TIP3 8960 25.783 -26.554 -0.731 1.00 0.00 WAT +ATOM 33189 H1 TIP3 8960 24.838 -26.332 -0.616 1.00 0.00 WAT +ATOM 33190 H2 TIP3 8960 25.874 -27.267 -0.078 1.00 0.00 WAT +ATOM 33191 OH2 TIP3 8961 28.946 -37.083 10.915 1.00 0.00 WAT +ATOM 33192 H1 TIP3 8961 28.426 -36.683 10.203 1.00 0.00 WAT +ATOM 33193 H2 TIP3 8961 29.007 -38.009 10.617 1.00 0.00 WAT +ATOM 33194 OH2 TIP3 8962 15.896 -30.421 9.076 1.00 0.00 WAT +ATOM 33195 H1 TIP3 8962 16.172 -30.896 9.887 1.00 0.00 WAT +ATOM 33196 H2 TIP3 8962 15.167 -30.968 8.735 1.00 0.00 WAT +ATOM 33197 OH2 TIP3 8963 19.106 -42.204 4.983 1.00 0.00 WAT +ATOM 33198 H1 TIP3 8963 18.285 -42.423 4.522 1.00 0.00 WAT +ATOM 33199 H2 TIP3 8963 18.866 -41.360 5.394 1.00 0.00 WAT +ATOM 33200 OH2 TIP3 8964 23.668 -42.621 8.552 1.00 0.00 WAT +ATOM 33201 H1 TIP3 8964 23.850 -43.093 9.370 1.00 0.00 WAT +ATOM 33202 H2 TIP3 8964 22.720 -42.775 8.445 1.00 0.00 WAT +ATOM 33203 OH2 TIP3 8965 26.645 -38.631 8.981 1.00 0.00 WAT +ATOM 33204 H1 TIP3 8965 26.044 -38.748 9.740 1.00 0.00 WAT +ATOM 33205 H2 TIP3 8965 26.574 -37.680 8.788 1.00 0.00 WAT +ATOM 33206 OH2 TIP3 8966 27.633 -33.651 -4.765 1.00 0.00 WAT +ATOM 33207 H1 TIP3 8966 27.434 -33.797 -5.709 1.00 0.00 WAT +ATOM 33208 H2 TIP3 8966 28.559 -33.356 -4.814 1.00 0.00 WAT +ATOM 33209 OH2 TIP3 8967 23.289 -39.944 -4.304 1.00 0.00 WAT +ATOM 33210 H1 TIP3 8967 22.744 -40.042 -3.499 1.00 0.00 WAT +ATOM 33211 H2 TIP3 8967 22.786 -40.540 -4.902 1.00 0.00 WAT +ATOM 33212 OH2 TIP3 8968 18.950 -37.157 6.236 1.00 0.00 WAT +ATOM 33213 H1 TIP3 8968 18.360 -37.026 6.996 1.00 0.00 WAT +ATOM 33214 H2 TIP3 8968 19.035 -36.246 5.877 1.00 0.00 WAT +ATOM 33215 OH2 TIP3 8969 18.894 -37.091 1.129 1.00 0.00 WAT +ATOM 33216 H1 TIP3 8969 17.938 -37.175 0.959 1.00 0.00 WAT +ATOM 33217 H2 TIP3 8969 19.249 -37.266 0.235 1.00 0.00 WAT +ATOM 33218 OH2 TIP3 8970 24.511 -36.516 -0.112 1.00 0.00 WAT +ATOM 33219 H1 TIP3 8970 24.098 -35.686 -0.439 1.00 0.00 WAT +ATOM 33220 H2 TIP3 8970 25.178 -36.671 -0.800 1.00 0.00 WAT +ATOM 33221 OH2 TIP3 8971 23.698 -36.320 11.227 1.00 0.00 WAT +ATOM 33222 H1 TIP3 8971 23.178 -37.058 11.603 1.00 0.00 WAT +ATOM 33223 H2 TIP3 8971 24.564 -36.441 11.659 1.00 0.00 WAT +ATOM 33224 OH2 TIP3 8972 25.362 -37.111 2.672 1.00 0.00 WAT +ATOM 33225 H1 TIP3 8972 25.065 -36.532 1.941 1.00 0.00 WAT +ATOM 33226 H2 TIP3 8972 25.567 -37.920 2.161 1.00 0.00 WAT +ATOM 33227 OH2 TIP3 8973 16.310 -36.962 8.059 1.00 0.00 WAT +ATOM 33228 H1 TIP3 8973 16.593 -36.686 8.938 1.00 0.00 WAT +ATOM 33229 H2 TIP3 8973 15.919 -37.837 8.250 1.00 0.00 WAT +ATOM 33230 OH2 TIP3 8974 19.680 -39.445 -5.362 1.00 0.00 WAT +ATOM 33231 H1 TIP3 8974 19.327 -39.787 -4.520 1.00 0.00 WAT +ATOM 33232 H2 TIP3 8974 18.880 -39.262 -5.871 1.00 0.00 WAT +ATOM 33233 OH2 TIP3 8975 13.112 -39.558 1.710 1.00 0.00 WAT +ATOM 33234 H1 TIP3 8975 13.694 -39.561 2.494 1.00 0.00 WAT +ATOM 33235 H2 TIP3 8975 13.666 -39.931 1.012 1.00 0.00 WAT +ATOM 33236 OH2 TIP3 8976 14.715 -39.107 -2.578 1.00 0.00 WAT +ATOM 33237 H1 TIP3 8976 15.253 -38.598 -3.217 1.00 0.00 WAT +ATOM 33238 H2 TIP3 8976 14.000 -38.466 -2.399 1.00 0.00 WAT +ATOM 33239 OH2 TIP3 8977 24.464 -35.433 7.133 1.00 0.00 WAT +ATOM 33240 H1 TIP3 8977 24.890 -36.162 6.627 1.00 0.00 WAT +ATOM 33241 H2 TIP3 8977 24.122 -35.905 7.905 1.00 0.00 WAT +ATOM 33242 OH2 TIP3 8978 21.665 -39.431 2.110 1.00 0.00 WAT +ATOM 33243 H1 TIP3 8978 20.728 -39.582 2.316 1.00 0.00 WAT +ATOM 33244 H2 TIP3 8978 22.094 -39.717 2.934 1.00 0.00 WAT +ATOM 33245 OH2 TIP3 8979 16.225 -38.267 0.823 1.00 0.00 WAT +ATOM 33246 H1 TIP3 8979 15.417 -37.983 0.358 1.00 0.00 WAT +ATOM 33247 H2 TIP3 8979 16.494 -39.076 0.347 1.00 0.00 WAT +ATOM 33248 OH2 TIP3 8980 19.857 -37.904 -1.481 1.00 0.00 WAT +ATOM 33249 H1 TIP3 8980 20.827 -37.834 -1.459 1.00 0.00 WAT +ATOM 33250 H2 TIP3 8980 19.602 -37.332 -2.227 1.00 0.00 WAT +ATOM 33251 OH2 TIP3 8981 26.007 -40.328 5.157 1.00 0.00 WAT +ATOM 33252 H1 TIP3 8981 25.371 -40.346 5.901 1.00 0.00 WAT +ATOM 33253 H2 TIP3 8981 25.427 -40.634 4.438 1.00 0.00 WAT +ATOM 33254 OH2 TIP3 8982 18.335 -36.730 -3.728 1.00 0.00 WAT +ATOM 33255 H1 TIP3 8982 17.741 -36.946 -4.463 1.00 0.00 WAT +ATOM 33256 H2 TIP3 8982 19.140 -36.480 -4.215 1.00 0.00 WAT +ATOM 33257 OH2 TIP3 8983 29.061 -24.583 11.822 1.00 0.00 WAT +ATOM 33258 H1 TIP3 8983 29.254 -24.117 10.991 1.00 0.00 WAT +ATOM 33259 H2 TIP3 8983 29.757 -24.249 12.410 1.00 0.00 WAT +ATOM 33260 OH2 TIP3 8984 16.966 -31.961 11.248 1.00 0.00 WAT +ATOM 33261 H1 TIP3 8984 17.645 -31.867 11.949 1.00 0.00 WAT +ATOM 33262 H2 TIP3 8984 16.163 -31.955 11.803 1.00 0.00 WAT +ATOM 33263 OH2 TIP3 8985 22.682 -36.940 3.975 1.00 0.00 WAT +ATOM 33264 H1 TIP3 8985 23.401 -37.376 3.494 1.00 0.00 WAT +ATOM 33265 H2 TIP3 8985 22.518 -37.566 4.706 1.00 0.00 WAT +ATOM 33266 OH2 TIP3 8986 17.810 -40.660 0.192 1.00 0.00 WAT +ATOM 33267 H1 TIP3 8986 17.360 -41.515 0.315 1.00 0.00 WAT +ATOM 33268 H2 TIP3 8986 18.662 -40.930 -0.180 1.00 0.00 WAT +ATOM 33269 OH2 TIP3 8987 21.642 -38.495 6.229 1.00 0.00 WAT +ATOM 33270 H1 TIP3 8987 20.889 -37.882 6.216 1.00 0.00 WAT +ATOM 33271 H2 TIP3 8987 22.137 -38.218 7.027 1.00 0.00 WAT +ATOM 33272 OH2 TIP3 8988 21.794 -32.103 -1.892 1.00 0.00 WAT +ATOM 33273 H1 TIP3 8988 21.026 -32.599 -2.248 1.00 0.00 WAT +ATOM 33274 H2 TIP3 8988 21.589 -32.053 -0.930 1.00 0.00 WAT +ATOM 33275 OH2 TIP3 8989 29.014 -32.936 6.848 1.00 0.00 WAT +ATOM 33276 H1 TIP3 8989 29.508 -32.390 6.199 1.00 0.00 WAT +ATOM 33277 H2 TIP3 8989 28.159 -33.051 6.388 1.00 0.00 WAT +ATOM 33278 OH2 TIP3 8990 25.962 -39.302 -4.285 1.00 0.00 WAT +ATOM 33279 H1 TIP3 8990 24.980 -39.383 -4.251 1.00 0.00 WAT +ATOM 33280 H2 TIP3 8990 26.147 -38.626 -3.601 1.00 0.00 WAT +ATOM 33281 OH2 TIP3 8991 23.438 -32.083 9.434 1.00 0.00 WAT +ATOM 33282 H1 TIP3 8991 23.129 -32.400 10.293 1.00 0.00 WAT +ATOM 33283 H2 TIP3 8991 23.129 -31.164 9.427 1.00 0.00 WAT +ATOM 33284 OH2 TIP3 8992 26.613 -37.495 -2.135 1.00 0.00 WAT +ATOM 33285 H1 TIP3 8992 27.477 -37.622 -1.697 1.00 0.00 WAT +ATOM 33286 H2 TIP3 8992 26.698 -36.593 -2.497 1.00 0.00 WAT +ATOM 33287 OH2 TIP3 8993 16.936 -32.705 3.929 1.00 0.00 WAT +ATOM 33288 H1 TIP3 8993 17.488 -32.810 3.135 1.00 0.00 WAT +ATOM 33289 H2 TIP3 8993 17.031 -33.570 4.356 1.00 0.00 WAT +ATOM 33290 OH2 TIP3 8994 24.190 -30.739 -2.952 1.00 0.00 WAT +ATOM 33291 H1 TIP3 8994 23.924 -29.865 -2.598 1.00 0.00 WAT +ATOM 33292 H2 TIP3 8994 23.424 -31.280 -2.688 1.00 0.00 WAT +ATOM 33293 OH2 TIP3 8995 14.172 -34.423 9.199 1.00 0.00 WAT +ATOM 33294 H1 TIP3 8995 14.349 -34.875 10.048 1.00 0.00 WAT +ATOM 33295 H2 TIP3 8995 13.593 -35.051 8.737 1.00 0.00 WAT +ATOM 33296 OH2 TIP3 8996 21.162 -34.926 11.176 1.00 0.00 WAT +ATOM 33297 H1 TIP3 8996 20.815 -35.172 10.302 1.00 0.00 WAT +ATOM 33298 H2 TIP3 8996 22.093 -35.197 11.082 1.00 0.00 WAT +ATOM 33299 OH2 TIP3 8997 25.702 -29.502 8.907 1.00 0.00 WAT +ATOM 33300 H1 TIP3 8997 24.737 -29.416 8.832 1.00 0.00 WAT +ATOM 33301 H2 TIP3 8997 25.852 -29.242 9.831 1.00 0.00 WAT +ATOM 33302 OH2 TIP3 8998 31.231 -37.457 -2.327 1.00 0.00 WAT +ATOM 33303 H1 TIP3 8998 30.663 -37.646 -3.100 1.00 0.00 WAT +ATOM 33304 H2 TIP3 8998 31.343 -36.494 -2.460 1.00 0.00 WAT +ATOM 33305 OH2 TIP3 8999 31.688 -31.392 10.472 1.00 0.00 WAT +ATOM 33306 H1 TIP3 8999 30.747 -31.189 10.281 1.00 0.00 WAT +ATOM 33307 H2 TIP3 8999 32.013 -31.588 9.571 1.00 0.00 WAT +ATOM 33308 OH2 TIP3 9000 29.430 -28.834 -2.225 1.00 0.00 WAT +ATOM 33309 H1 TIP3 9000 29.216 -29.616 -1.696 1.00 0.00 WAT +ATOM 33310 H2 TIP3 9000 29.951 -29.196 -2.956 1.00 0.00 WAT +ATOM 33311 OH2 TIP3 9001 26.674 -33.506 5.161 1.00 0.00 WAT +ATOM 33312 H1 TIP3 9001 25.741 -33.649 4.912 1.00 0.00 WAT +ATOM 33313 H2 TIP3 9001 27.108 -34.221 4.654 1.00 0.00 WAT +ATOM 33314 OH2 TIP3 9002 19.282 -29.399 1.222 1.00 0.00 WAT +ATOM 33315 H1 TIP3 9002 19.724 -28.544 1.084 1.00 0.00 WAT +ATOM 33316 H2 TIP3 9002 18.385 -29.186 0.938 1.00 0.00 WAT +ATOM 33317 OH2 TIP3 9003 15.305 -34.632 -4.191 1.00 0.00 WAT +ATOM 33318 H1 TIP3 9003 15.875 -33.939 -3.811 1.00 0.00 WAT +ATOM 33319 H2 TIP3 9003 14.425 -34.343 -3.883 1.00 0.00 WAT +ATOM 33320 OH2 TIP3 9004 21.136 -31.736 0.812 1.00 0.00 WAT +ATOM 33321 H1 TIP3 9004 20.864 -30.815 0.955 1.00 0.00 WAT +ATOM 33322 H2 TIP3 9004 20.414 -32.216 1.241 1.00 0.00 WAT +ATOM 33323 OH2 TIP3 9005 21.299 -27.473 7.166 1.00 0.00 WAT +ATOM 33324 H1 TIP3 9005 21.836 -26.721 6.863 1.00 0.00 WAT +ATOM 33325 H2 TIP3 9005 21.935 -27.946 7.726 1.00 0.00 WAT +ATOM 33326 OH2 TIP3 9006 19.745 -26.550 0.419 1.00 0.00 WAT +ATOM 33327 H1 TIP3 9006 18.791 -26.352 0.475 1.00 0.00 WAT +ATOM 33328 H2 TIP3 9006 20.129 -25.671 0.637 1.00 0.00 WAT +ATOM 33329 OH2 TIP3 9007 24.714 -31.718 6.733 1.00 0.00 WAT +ATOM 33330 H1 TIP3 9007 24.423 -31.996 7.619 1.00 0.00 WAT +ATOM 33331 H2 TIP3 9007 25.446 -32.331 6.558 1.00 0.00 WAT +ATOM 33332 OH2 TIP3 9008 26.884 -30.429 -4.354 1.00 0.00 WAT +ATOM 33333 H1 TIP3 9008 27.300 -30.873 -3.593 1.00 0.00 WAT +ATOM 33334 H2 TIP3 9008 25.952 -30.546 -4.104 1.00 0.00 WAT +ATOM 33335 OH2 TIP3 9009 27.667 -27.153 9.117 1.00 0.00 WAT +ATOM 33336 H1 TIP3 9009 26.903 -27.608 8.711 1.00 0.00 WAT +ATOM 33337 H2 TIP3 9009 27.745 -26.354 8.563 1.00 0.00 WAT +ATOM 33338 OH2 TIP3 9010 31.636 -26.155 -3.822 1.00 0.00 WAT +ATOM 33339 H1 TIP3 9010 32.302 -25.498 -4.081 1.00 0.00 WAT +ATOM 33340 H2 TIP3 9010 30.850 -25.578 -3.791 1.00 0.00 WAT +ATOM 33341 OH2 TIP3 9011 15.522 -39.609 8.785 1.00 0.00 WAT +ATOM 33342 H1 TIP3 9011 14.610 -39.427 8.470 1.00 0.00 WAT +ATOM 33343 H2 TIP3 9011 15.364 -40.473 9.224 1.00 0.00 WAT +ATOM 33344 OH2 TIP3 9012 27.844 -31.811 -1.970 1.00 0.00 WAT +ATOM 33345 H1 TIP3 9012 27.576 -32.524 -1.364 1.00 0.00 WAT +ATOM 33346 H2 TIP3 9012 28.812 -31.822 -1.874 1.00 0.00 WAT +ATOM 33347 OH2 TIP3 9013 15.212 -28.078 7.223 1.00 0.00 WAT +ATOM 33348 H1 TIP3 9013 15.633 -28.937 7.379 1.00 0.00 WAT +ATOM 33349 H2 TIP3 9013 15.469 -27.612 8.030 1.00 0.00 WAT +ATOM 33350 OH2 TIP3 9014 21.129 -29.364 -5.780 1.00 0.00 WAT +ATOM 33351 H1 TIP3 9014 21.415 -30.159 -6.264 1.00 0.00 WAT +ATOM 33352 H2 TIP3 9014 20.701 -29.753 -4.998 1.00 0.00 WAT +ATOM 33353 OH2 TIP3 9015 19.972 -29.851 -3.059 1.00 0.00 WAT +ATOM 33354 H1 TIP3 9015 20.494 -30.357 -2.421 1.00 0.00 WAT +ATOM 33355 H2 TIP3 9015 20.110 -28.928 -2.753 1.00 0.00 WAT +ATOM 33356 OH2 TIP3 9016 16.813 -32.411 -2.654 1.00 0.00 WAT +ATOM 33357 H1 TIP3 9016 16.077 -32.020 -2.144 1.00 0.00 WAT +ATOM 33358 H2 TIP3 9016 17.268 -31.609 -2.963 1.00 0.00 WAT +ATOM 33359 OH2 TIP3 9017 24.416 -40.074 7.449 1.00 0.00 WAT +ATOM 33360 H1 TIP3 9017 25.048 -39.813 8.133 1.00 0.00 WAT +ATOM 33361 H2 TIP3 9017 24.060 -40.916 7.787 1.00 0.00 WAT +ATOM 33362 OH2 TIP3 9018 25.222 -40.577 -1.406 1.00 0.00 WAT +ATOM 33363 H1 TIP3 9018 25.262 -39.974 -2.163 1.00 0.00 WAT +ATOM 33364 H2 TIP3 9018 25.565 -40.017 -0.690 1.00 0.00 WAT +ATOM 33365 OH2 TIP3 9019 22.898 -28.256 -2.442 1.00 0.00 WAT +ATOM 33366 H1 TIP3 9019 22.106 -27.734 -2.232 1.00 0.00 WAT +ATOM 33367 H2 TIP3 9019 23.279 -27.740 -3.167 1.00 0.00 WAT +ATOM 33368 OH2 TIP3 9020 22.557 -38.527 -0.407 1.00 0.00 WAT +ATOM 33369 H1 TIP3 9020 23.281 -37.881 -0.271 1.00 0.00 WAT +ATOM 33370 H2 TIP3 9020 22.246 -38.671 0.510 1.00 0.00 WAT +ATOM 33371 OH2 TIP3 9021 22.876 -37.607 8.712 1.00 0.00 WAT +ATOM 33372 H1 TIP3 9021 22.955 -37.095 9.535 1.00 0.00 WAT +ATOM 33373 H2 TIP3 9021 23.444 -38.366 8.889 1.00 0.00 WAT +ATOM 33374 OH2 TIP3 9022 23.267 -41.730 0.601 1.00 0.00 WAT +ATOM 33375 H1 TIP3 9022 22.920 -40.974 1.103 1.00 0.00 WAT +ATOM 33376 H2 TIP3 9022 23.805 -41.285 -0.079 1.00 0.00 WAT +ATOM 33377 OH2 TIP3 9023 20.106 -27.150 -2.430 1.00 0.00 WAT +ATOM 33378 H1 TIP3 9023 20.064 -26.340 -2.985 1.00 0.00 WAT +ATOM 33379 H2 TIP3 9023 19.960 -26.786 -1.537 1.00 0.00 WAT +ATOM 33380 OH2 TIP3 9024 18.803 -40.508 -2.907 1.00 0.00 WAT +ATOM 33381 H1 TIP3 9024 18.823 -39.687 -2.385 1.00 0.00 WAT +ATOM 33382 H2 TIP3 9024 19.683 -40.871 -2.685 1.00 0.00 WAT +ATOM 33383 OH2 TIP3 9025 29.259 -39.630 9.532 1.00 0.00 WAT +ATOM 33384 H1 TIP3 9025 28.292 -39.520 9.442 1.00 0.00 WAT +ATOM 33385 H2 TIP3 9025 29.454 -39.888 8.620 1.00 0.00 WAT +ATOM 33386 OH2 TIP3 9026 27.671 -35.739 3.631 1.00 0.00 WAT +ATOM 33387 H1 TIP3 9026 26.851 -36.191 3.359 1.00 0.00 WAT +ATOM 33388 H2 TIP3 9026 28.160 -36.458 4.090 1.00 0.00 WAT +ATOM 33389 OH2 TIP3 9027 17.227 -29.628 -3.885 1.00 0.00 WAT +ATOM 33390 H1 TIP3 9027 17.949 -29.093 -3.512 1.00 0.00 WAT +ATOM 33391 H2 TIP3 9027 17.727 -30.098 -4.572 1.00 0.00 WAT +ATOM 33392 OH2 TIP3 9028 15.377 -37.448 -4.789 1.00 0.00 WAT +ATOM 33393 H1 TIP3 9028 15.501 -36.506 -4.562 1.00 0.00 WAT +ATOM 33394 H2 TIP3 9028 14.511 -37.432 -5.218 1.00 0.00 WAT +ATOM 33395 OH2 TIP3 9029 28.697 -26.889 5.032 1.00 0.00 WAT +ATOM 33396 H1 TIP3 9029 28.493 -26.092 4.505 1.00 0.00 WAT +ATOM 33397 H2 TIP3 9029 29.625 -26.717 5.253 1.00 0.00 WAT +ATOM 33398 OH2 TIP3 9030 15.510 -42.425 4.181 1.00 0.00 WAT +ATOM 33399 H1 TIP3 9030 15.900 -42.411 3.299 1.00 0.00 WAT +ATOM 33400 H2 TIP3 9030 15.737 -43.332 4.440 1.00 0.00 WAT +ATOM 33401 OH2 TIP3 9031 15.135 -28.794 0.374 1.00 0.00 WAT +ATOM 33402 H1 TIP3 9031 14.322 -28.298 0.233 1.00 0.00 WAT +ATOM 33403 H2 TIP3 9031 15.693 -28.419 -0.324 1.00 0.00 WAT +ATOM 33404 OH2 TIP3 9032 14.595 -25.961 11.432 1.00 0.00 WAT +ATOM 33405 H1 TIP3 9032 15.152 -26.244 12.183 1.00 0.00 WAT +ATOM 33406 H2 TIP3 9032 14.191 -26.805 11.151 1.00 0.00 WAT +ATOM 33407 OH2 TIP3 9033 19.278 -26.936 13.227 1.00 0.00 WAT +ATOM 33408 H1 TIP3 9033 19.985 -27.572 13.416 1.00 0.00 WAT +ATOM 33409 H2 TIP3 9033 19.063 -27.168 12.309 1.00 0.00 WAT +ATOM 33410 OH2 TIP3 9034 23.354 -27.665 -5.277 1.00 0.00 WAT +ATOM 33411 H1 TIP3 9034 22.588 -28.271 -5.369 1.00 0.00 WAT +ATOM 33412 H2 TIP3 9034 24.053 -28.208 -5.671 1.00 0.00 WAT +ATOM 33413 OH2 TIP3 9035 25.777 -28.656 11.782 1.00 0.00 WAT +ATOM 33414 H1 TIP3 9035 25.367 -29.459 12.151 1.00 0.00 WAT +ATOM 33415 H2 TIP3 9035 26.450 -28.438 12.449 1.00 0.00 WAT +ATOM 33416 OH2 TIP3 9036 27.967 -27.750 -5.152 1.00 0.00 WAT +ATOM 33417 H1 TIP3 9036 28.144 -28.572 -4.666 1.00 0.00 WAT +ATOM 33418 H2 TIP3 9036 28.729 -27.699 -5.758 1.00 0.00 WAT +ATOM 33419 OH2 TIP3 9037 14.550 -32.355 12.549 1.00 0.00 WAT +ATOM 33420 H1 TIP3 9037 14.645 -33.257 12.202 1.00 0.00 WAT +ATOM 33421 H2 TIP3 9037 13.785 -32.040 12.030 1.00 0.00 WAT +ATOM 33422 OH2 TIP3 9038 18.763 -31.938 -5.438 1.00 0.00 WAT +ATOM 33423 H1 TIP3 9038 18.940 -32.522 -4.682 1.00 0.00 WAT +ATOM 33424 H2 TIP3 9038 19.626 -31.957 -5.893 1.00 0.00 WAT +ATOM 33425 OH2 TIP3 9039 21.191 -32.160 11.888 1.00 0.00 WAT +ATOM 33426 H1 TIP3 9039 20.876 -31.824 11.032 1.00 0.00 WAT +ATOM 33427 H2 TIP3 9039 21.249 -33.125 11.735 1.00 0.00 WAT +ATOM 33428 OH2 TIP3 9040 24.007 -30.609 -5.823 1.00 0.00 WAT +ATOM 33429 H1 TIP3 9040 23.954 -30.642 -4.853 1.00 0.00 WAT +ATOM 33430 H2 TIP3 9040 23.951 -31.565 -6.032 1.00 0.00 WAT +ATOM 33431 OH2 TIP3 9041 26.553 -32.539 9.286 1.00 0.00 WAT +ATOM 33432 H1 TIP3 9041 27.326 -31.995 9.074 1.00 0.00 WAT +ATOM 33433 H2 TIP3 9041 25.845 -31.875 9.260 1.00 0.00 WAT +ATOM 33434 OH2 TIP3 9042 15.414 -35.230 11.713 1.00 0.00 WAT +ATOM 33435 H1 TIP3 9042 16.164 -35.850 11.725 1.00 0.00 WAT +ATOM 33436 H2 TIP3 9042 15.369 -34.993 12.653 1.00 0.00 WAT +ATOM 33437 OH2 TIP3 9043 19.858 -33.854 -3.095 1.00 0.00 WAT +ATOM 33438 H1 TIP3 9043 19.248 -34.365 -2.545 1.00 0.00 WAT +ATOM 33439 H2 TIP3 9043 20.157 -34.532 -3.735 1.00 0.00 WAT +ATOM 33440 OH2 TIP3 9044 19.064 -36.089 9.151 1.00 0.00 WAT +ATOM 33441 H1 TIP3 9044 18.532 -35.296 9.350 1.00 0.00 WAT +ATOM 33442 H2 TIP3 9044 19.718 -35.730 8.524 1.00 0.00 WAT +ATOM 33443 OH2 TIP3 9045 20.797 -35.839 -4.841 1.00 0.00 WAT +ATOM 33444 H1 TIP3 9045 20.756 -35.746 -5.811 1.00 0.00 WAT +ATOM 33445 H2 TIP3 9045 21.760 -35.866 -4.690 1.00 0.00 WAT +ATOM 33446 OH2 TIP3 9046 24.382 -33.376 12.717 1.00 0.00 WAT +ATOM 33447 H1 TIP3 9046 25.276 -33.572 12.403 1.00 0.00 WAT +ATOM 33448 H2 TIP3 9046 24.122 -34.220 13.110 1.00 0.00 WAT +ATOM 33449 OH2 TIP3 9047 30.336 -33.323 -5.522 1.00 0.00 WAT +ATOM 33450 H1 TIP3 9047 30.207 -33.723 -6.393 1.00 0.00 WAT +ATOM 33451 H2 TIP3 9047 30.207 -32.373 -5.739 1.00 0.00 WAT +ATOM 33452 OH2 TIP3 9048 19.660 -38.792 10.261 1.00 0.00 WAT +ATOM 33453 H1 TIP3 9048 19.745 -39.437 9.540 1.00 0.00 WAT +ATOM 33454 H2 TIP3 9048 19.459 -37.975 9.770 1.00 0.00 WAT +ATOM 33455 OH2 TIP3 9049 20.044 -40.373 7.685 1.00 0.00 WAT +ATOM 33456 H1 TIP3 9049 20.572 -39.816 7.075 1.00 0.00 WAT +ATOM 33457 H2 TIP3 9049 19.135 -40.261 7.338 1.00 0.00 WAT +ATOM 33458 OH2 TIP3 9050 21.552 -34.874 8.148 1.00 0.00 WAT +ATOM 33459 H1 TIP3 9050 22.385 -34.947 7.661 1.00 0.00 WAT +ATOM 33460 H2 TIP3 9050 21.232 -34.001 7.842 1.00 0.00 WAT +ATOM 33461 OH2 TIP3 9051 26.118 -36.929 12.918 1.00 0.00 WAT +ATOM 33462 H1 TIP3 9051 26.319 -37.863 13.092 1.00 0.00 WAT +ATOM 33463 H2 TIP3 9051 27.007 -36.543 12.875 1.00 0.00 WAT +ATOM 33464 OH2 TIP3 9052 27.103 -34.148 11.420 1.00 0.00 WAT +ATOM 33465 H1 TIP3 9052 26.747 -33.537 10.740 1.00 0.00 WAT +ATOM 33466 H2 TIP3 9052 27.995 -34.297 11.048 1.00 0.00 WAT +ATOM 33467 OH2 TIP3 9053 17.874 -36.961 12.089 1.00 0.00 WAT +ATOM 33468 H1 TIP3 9053 17.357 -37.784 12.099 1.00 0.00 WAT +ATOM 33469 H2 TIP3 9053 18.682 -37.246 11.636 1.00 0.00 WAT +ATOM 33470 OH2 TIP3 9054 20.511 -42.774 8.900 1.00 0.00 WAT +ATOM 33471 H1 TIP3 9054 20.657 -41.872 8.547 1.00 0.00 WAT +ATOM 33472 H2 TIP3 9054 19.575 -42.869 8.685 1.00 0.00 WAT +ATOM 33473 OH2 TIP3 9055 21.999 -38.439 11.863 1.00 0.00 WAT +ATOM 33474 H1 TIP3 9055 21.688 -38.712 12.744 1.00 0.00 WAT +ATOM 33475 H2 TIP3 9055 21.191 -38.631 11.342 1.00 0.00 WAT +ATOM 33476 OH2 TIP3 9056 24.591 -39.445 10.843 1.00 0.00 WAT +ATOM 33477 H1 TIP3 9056 23.697 -39.302 11.207 1.00 0.00 WAT +ATOM 33478 H2 TIP3 9056 24.954 -40.095 11.469 1.00 0.00 WAT +ATOM 33479 OH2 TIP3 9057 26.345 -41.368 12.538 1.00 0.00 WAT +ATOM 33480 H1 TIP3 9057 26.156 -42.237 12.910 1.00 0.00 WAT +ATOM 33481 H2 TIP3 9057 26.170 -40.770 13.283 1.00 0.00 WAT +ATOM 33482 OH2 TIP3 9058 16.670 -39.598 11.964 1.00 0.00 WAT +ATOM 33483 H1 TIP3 9058 16.398 -40.203 11.253 1.00 0.00 WAT +ATOM 33484 H2 TIP3 9058 16.225 -39.979 12.737 1.00 0.00 WAT +ATOM 33485 OH2 TIP3 9059 21.630 -41.453 12.944 1.00 0.00 WAT +ATOM 33486 H1 TIP3 9059 21.397 -42.284 12.491 1.00 0.00 WAT +ATOM 33487 H2 TIP3 9059 20.776 -40.994 13.022 1.00 0.00 WAT +ATOM 33488 OH2 TIP3 9060 20.595 -24.655 -3.783 1.00 0.00 WAT +ATOM 33489 H1 TIP3 9060 21.521 -24.440 -3.601 1.00 0.00 WAT +ATOM 33490 H2 TIP3 9060 20.439 -24.099 -4.558 1.00 0.00 WAT +ATOM 33491 OH2 TIP3 9061 14.482 -30.217 -4.177 1.00 0.00 WAT +ATOM 33492 H1 TIP3 9061 15.437 -30.006 -4.083 1.00 0.00 WAT +ATOM 33493 H2 TIP3 9061 14.503 -30.974 -4.794 1.00 0.00 WAT +ATOM 33494 OH2 TIP3 9062 13.571 -24.958 0.522 1.00 0.00 WAT +ATOM 33495 H1 TIP3 9062 12.862 -25.274 -0.059 1.00 0.00 WAT +ATOM 33496 H2 TIP3 9062 13.599 -25.616 1.226 1.00 0.00 WAT +ATOM 33497 OH2 TIP3 9063 13.512 -27.007 2.766 1.00 0.00 WAT +ATOM 33498 H1 TIP3 9063 13.788 -27.940 2.734 1.00 0.00 WAT +ATOM 33499 H2 TIP3 9063 14.245 -26.640 3.307 1.00 0.00 WAT +ATOM 33500 OH2 TIP3 9064 31.421 -25.727 5.521 1.00 0.00 WAT +ATOM 33501 H1 TIP3 9064 31.579 -25.756 6.476 1.00 0.00 WAT +ATOM 33502 H2 TIP3 9064 32.274 -25.425 5.185 1.00 0.00 WAT +ATOM 33503 OH2 TIP3 9065 31.337 -26.278 8.395 1.00 0.00 WAT +ATOM 33504 H1 TIP3 9065 30.788 -27.000 8.034 1.00 0.00 WAT +ATOM 33505 H2 TIP3 9065 31.857 -26.773 9.046 1.00 0.00 WAT +ATOM 33506 OH2 TIP3 9066 29.314 -30.856 12.694 1.00 0.00 WAT +ATOM 33507 H1 TIP3 9066 28.423 -30.773 13.075 1.00 0.00 WAT +ATOM 33508 H2 TIP3 9066 29.756 -30.044 12.995 1.00 0.00 WAT +ATOM 33509 OH2 TIP3 9067 30.710 -31.948 -1.582 1.00 0.00 WAT +ATOM 33510 H1 TIP3 9067 31.614 -31.622 -1.416 1.00 0.00 WAT +ATOM 33511 H2 TIP3 9067 30.620 -32.583 -0.848 1.00 0.00 WAT +ATOM 33512 OH2 TIP3 9068 31.168 -33.983 0.392 1.00 0.00 WAT +ATOM 33513 H1 TIP3 9068 30.497 -34.548 0.824 1.00 0.00 WAT +ATOM 33514 H2 TIP3 9068 31.849 -33.871 1.082 1.00 0.00 WAT +ATOM 33515 OH2 TIP3 9069 30.906 -31.489 5.397 1.00 0.00 WAT +ATOM 33516 H1 TIP3 9069 31.504 -31.981 4.812 1.00 0.00 WAT +ATOM 33517 H2 TIP3 9069 31.003 -30.580 5.065 1.00 0.00 WAT +ATOM 33518 OH2 TIP3 9070 29.611 -28.573 7.623 1.00 0.00 WAT +ATOM 33519 H1 TIP3 9070 28.873 -28.163 8.109 1.00 0.00 WAT +ATOM 33520 H2 TIP3 9070 29.157 -28.921 6.829 1.00 0.00 WAT +ATOM 33521 OH2 TIP3 9071 31.427 -34.539 -3.028 1.00 0.00 WAT +ATOM 33522 H1 TIP3 9071 30.913 -34.253 -3.807 1.00 0.00 WAT +ATOM 33523 H2 TIP3 9071 31.286 -33.788 -2.430 1.00 0.00 WAT +ATOM 33524 OH2 TIP3 9072 29.706 -36.994 -4.766 1.00 0.00 WAT +ATOM 33525 H1 TIP3 9072 29.957 -36.377 -5.467 1.00 0.00 WAT +ATOM 33526 H2 TIP3 9072 29.450 -37.791 -5.266 1.00 0.00 WAT +ATOM 33527 OH2 TIP3 9073 29.118 -35.842 1.222 1.00 0.00 WAT +ATOM 33528 H1 TIP3 9073 29.030 -36.790 1.031 1.00 0.00 WAT +ATOM 33529 H2 TIP3 9073 28.718 -35.764 2.111 1.00 0.00 WAT +ATOM 33530 OH2 TIP3 9074 13.937 -33.608 4.918 1.00 0.00 WAT +ATOM 33531 H1 TIP3 9074 14.183 -33.595 3.977 1.00 0.00 WAT +ATOM 33532 H2 TIP3 9074 14.801 -33.843 5.319 1.00 0.00 WAT +ATOM 33533 OH2 TIP3 9075 29.707 -33.929 10.368 1.00 0.00 WAT +ATOM 33534 H1 TIP3 9075 30.451 -34.542 10.517 1.00 0.00 WAT +ATOM 33535 H2 TIP3 9075 30.156 -33.100 10.155 1.00 0.00 WAT +ATOM 33536 OH2 TIP3 9076 31.270 -35.839 11.577 1.00 0.00 WAT +ATOM 33537 H1 TIP3 9076 30.472 -36.358 11.339 1.00 0.00 WAT +ATOM 33538 H2 TIP3 9076 31.958 -36.529 11.553 1.00 0.00 WAT +ATOM 33539 OH2 TIP3 9077 29.117 -39.694 -5.606 1.00 0.00 WAT +ATOM 33540 H1 TIP3 9077 29.708 -40.125 -4.963 1.00 0.00 WAT +ATOM 33541 H2 TIP3 9077 28.291 -40.185 -5.498 1.00 0.00 WAT +ATOM 33542 OH2 TIP3 9078 28.935 -38.270 -0.590 1.00 0.00 WAT +ATOM 33543 H1 TIP3 9078 29.106 -39.240 -0.538 1.00 0.00 WAT +ATOM 33544 H2 TIP3 9078 29.758 -37.973 -1.016 1.00 0.00 WAT +ATOM 33545 OH2 TIP3 9079 29.192 -37.739 4.792 1.00 0.00 WAT +ATOM 33546 H1 TIP3 9079 30.168 -37.676 4.774 1.00 0.00 WAT +ATOM 33547 H2 TIP3 9079 29.047 -37.761 5.753 1.00 0.00 WAT +ATOM 33548 OH2 TIP3 9080 29.344 -37.063 7.655 1.00 0.00 WAT +ATOM 33549 H1 TIP3 9080 28.498 -36.646 7.908 1.00 0.00 WAT +ATOM 33550 H2 TIP3 9080 29.890 -36.286 7.432 1.00 0.00 WAT +ATOM 33551 OH2 TIP3 9081 13.797 -38.356 11.439 1.00 0.00 WAT +ATOM 33552 H1 TIP3 9081 14.723 -38.577 11.267 1.00 0.00 WAT +ATOM 33553 H2 TIP3 9081 13.371 -39.227 11.411 1.00 0.00 WAT +ATOM 33554 OH2 TIP3 9082 31.523 -42.750 13.432 1.00 0.00 WAT +ATOM 33555 H1 TIP3 9082 31.982 -43.562 13.193 1.00 0.00 WAT +ATOM 33556 H2 TIP3 9082 31.522 -42.182 12.628 1.00 0.00 WAT +ATOM 33557 OH2 TIP3 9083 29.232 -40.986 -0.512 1.00 0.00 WAT +ATOM 33558 H1 TIP3 9083 29.469 -41.496 0.275 1.00 0.00 WAT +ATOM 33559 H2 TIP3 9083 28.613 -41.596 -0.955 1.00 0.00 WAT +ATOM 33560 OH2 TIP3 9084 14.555 -39.899 4.118 1.00 0.00 WAT +ATOM 33561 H1 TIP3 9084 14.867 -40.826 4.226 1.00 0.00 WAT +ATOM 33562 H2 TIP3 9084 15.308 -39.400 4.486 1.00 0.00 WAT +ATOM 33563 OH2 TIP3 9085 13.160 -37.280 5.144 1.00 0.00 WAT +ATOM 33564 H1 TIP3 9085 13.747 -37.336 4.374 1.00 0.00 WAT +ATOM 33565 H2 TIP3 9085 13.550 -36.537 5.622 1.00 0.00 WAT +ATOM 33566 OH2 TIP3 9086 31.289 -41.115 11.265 1.00 0.00 WAT +ATOM 33567 H1 TIP3 9086 30.437 -40.644 11.335 1.00 0.00 WAT +ATOM 33568 H2 TIP3 9086 31.197 -41.472 10.364 1.00 0.00 WAT +ATOM 33569 OH2 TIP3 9087 31.368 -40.575 -3.916 1.00 0.00 WAT +ATOM 33570 H1 TIP3 9087 31.545 -41.431 -4.360 1.00 0.00 WAT +ATOM 33571 H2 TIP3 9087 32.238 -40.152 -3.901 1.00 0.00 WAT +ATOM 33572 OH2 TIP3 9088 13.712 -41.015 -0.800 1.00 0.00 WAT +ATOM 33573 H1 TIP3 9088 12.760 -40.938 -0.986 1.00 0.00 WAT +ATOM 33574 H2 TIP3 9088 14.099 -40.326 -1.381 1.00 0.00 WAT +ATOM 33575 OH2 TIP3 9089 28.312 -25.700 1.317 1.00 0.00 WAT +ATOM 33576 H1 TIP3 9089 28.780 -25.929 0.498 1.00 0.00 WAT +ATOM 33577 H2 TIP3 9089 29.013 -25.322 1.859 1.00 0.00 WAT +ATOM 33578 OH2 TIP3 9090 13.493 -41.275 7.730 1.00 0.00 WAT +ATOM 33579 H1 TIP3 9090 13.469 -42.217 7.986 1.00 0.00 WAT +ATOM 33580 H2 TIP3 9090 13.273 -41.327 6.789 1.00 0.00 WAT +ATOM 33581 OH2 TIP3 9091 15.697 -28.996 12.048 1.00 0.00 WAT +ATOM 33582 H1 TIP3 9091 14.978 -28.970 11.400 1.00 0.00 WAT +ATOM 33583 H2 TIP3 9091 15.224 -28.974 12.890 1.00 0.00 WAT +ATOM 33584 OH2 TIP3 9092 18.533 -27.974 7.717 1.00 0.00 WAT +ATOM 33585 H1 TIP3 9092 18.230 -27.122 7.356 1.00 0.00 WAT +ATOM 33586 H2 TIP3 9092 19.492 -27.889 7.540 1.00 0.00 WAT +ATOM 33587 OH2 TIP3 9093 23.057 -26.691 10.726 1.00 0.00 WAT +ATOM 33588 H1 TIP3 9093 23.197 -26.837 11.675 1.00 0.00 WAT +ATOM 33589 H2 TIP3 9093 23.878 -26.224 10.472 1.00 0.00 WAT +ATOM 33590 OH2 TIP3 9094 25.345 -25.212 9.966 1.00 0.00 WAT +ATOM 33591 H1 TIP3 9094 26.021 -25.868 9.740 1.00 0.00 WAT +ATOM 33592 H2 TIP3 9094 25.643 -24.919 10.847 1.00 0.00 WAT +ATOM 33593 OH2 TIP3 9095 29.927 -42.763 9.173 1.00 0.00 WAT +ATOM 33594 H1 TIP3 9095 29.417 -42.145 8.619 1.00 0.00 WAT +ATOM 33595 H2 TIP3 9095 30.128 -43.441 8.508 1.00 0.00 WAT +ATOM 33596 OH2 TIP3 9096 15.884 -25.059 8.018 1.00 0.00 WAT +ATOM 33597 H1 TIP3 9096 15.307 -24.416 7.567 1.00 0.00 WAT +ATOM 33598 H2 TIP3 9096 15.585 -24.946 8.929 1.00 0.00 WAT +ATOM 33599 OH2 TIP3 9097 18.396 -25.250 6.573 1.00 0.00 WAT +ATOM 33600 H1 TIP3 9097 17.561 -25.028 7.028 1.00 0.00 WAT +ATOM 33601 H2 TIP3 9097 18.433 -24.565 5.878 1.00 0.00 WAT +ATOM 33602 OH2 TIP3 9098 23.159 -25.264 6.161 1.00 0.00 WAT +ATOM 33603 H1 TIP3 9098 22.771 -24.844 5.365 1.00 0.00 WAT +ATOM 33604 H2 TIP3 9098 23.233 -24.494 6.753 1.00 0.00 WAT +ATOM 33605 OH2 TIP3 9099 25.484 -26.537 7.091 1.00 0.00 WAT +ATOM 33606 H1 TIP3 9099 24.636 -26.194 6.747 1.00 0.00 WAT +ATOM 33607 H2 TIP3 9099 26.035 -25.744 7.043 1.00 0.00 WAT +ATOM 33608 OH2 TIP3 9100 28.061 -24.807 7.276 1.00 0.00 WAT +ATOM 33609 H1 TIP3 9100 27.956 -23.865 7.042 1.00 0.00 WAT +ATOM 33610 H2 TIP3 9100 28.288 -25.179 6.406 1.00 0.00 WAT +ATOM 33611 OH2 TIP3 9101 15.207 -26.282 4.942 1.00 0.00 WAT +ATOM 33612 H1 TIP3 9101 15.252 -26.580 5.874 1.00 0.00 WAT +ATOM 33613 H2 TIP3 9101 16.099 -26.530 4.633 1.00 0.00 WAT +ATOM 33614 OH2 TIP3 9102 17.415 -27.417 3.497 1.00 0.00 WAT +ATOM 33615 H1 TIP3 9102 17.331 -28.359 3.745 1.00 0.00 WAT +ATOM 33616 H2 TIP3 9102 18.342 -27.230 3.744 1.00 0.00 WAT +ATOM 33617 OH2 TIP3 9103 20.231 -27.021 4.310 1.00 0.00 WAT +ATOM 33618 H1 TIP3 9103 20.440 -27.944 4.090 1.00 0.00 WAT +ATOM 33619 H2 TIP3 9103 20.317 -27.037 5.274 1.00 0.00 WAT +ATOM 33620 OH2 TIP3 9104 23.571 -41.123 3.619 1.00 0.00 WAT +ATOM 33621 H1 TIP3 9104 22.943 -41.822 3.888 1.00 0.00 WAT +ATOM 33622 H2 TIP3 9104 24.160 -41.605 3.019 1.00 0.00 WAT +ATOM 33623 OH2 TIP3 9105 28.851 -43.297 4.071 1.00 0.00 WAT +ATOM 33624 H1 TIP3 9105 29.448 -42.894 3.417 1.00 0.00 WAT +ATOM 33625 H2 TIP3 9105 27.979 -43.053 3.735 1.00 0.00 WAT +ATOM 33626 OH2 TIP3 9106 30.804 -42.246 1.889 1.00 0.00 WAT +ATOM 33627 H1 TIP3 9106 31.358 -42.460 1.132 1.00 0.00 WAT +ATOM 33628 H2 TIP3 9106 30.988 -41.297 2.014 1.00 0.00 WAT +ATOM 33629 OH2 TIP3 9107 15.933 -42.838 0.907 1.00 0.00 WAT +ATOM 33630 H1 TIP3 9107 15.007 -43.039 0.727 1.00 0.00 WAT +ATOM 33631 H2 TIP3 9107 16.258 -43.653 1.299 1.00 0.00 WAT +ATOM 33632 OH2 TIP3 9108 14.498 -42.911 -2.820 1.00 0.00 WAT +ATOM 33633 H1 TIP3 9108 14.964 -42.437 -3.537 1.00 0.00 WAT +ATOM 33634 H2 TIP3 9108 14.141 -42.166 -2.306 1.00 0.00 WAT +ATOM 33635 OH2 TIP3 9109 20.408 -42.265 1.212 1.00 0.00 WAT +ATOM 33636 H1 TIP3 9109 21.345 -42.347 0.981 1.00 0.00 WAT +ATOM 33637 H2 TIP3 9109 20.292 -42.934 1.890 1.00 0.00 WAT +ATOM 33638 OH2 TIP3 9110 25.993 -42.652 2.565 1.00 0.00 WAT +ATOM 33639 H1 TIP3 9110 26.305 -42.616 1.652 1.00 0.00 WAT +ATOM 33640 H2 TIP3 9110 25.833 -43.594 2.713 1.00 0.00 WAT +ATOM 33641 OH2 TIP3 9111 27.076 -42.721 -1.471 1.00 0.00 WAT +ATOM 33642 H1 TIP3 9111 26.324 -42.129 -1.675 1.00 0.00 WAT +ATOM 33643 H2 TIP3 9111 26.677 -43.599 -1.511 1.00 0.00 WAT +ATOM 33644 OH2 TIP3 9112 14.777 -26.967 -1.800 1.00 0.00 WAT +ATOM 33645 H1 TIP3 9112 14.207 -26.998 -2.583 1.00 0.00 WAT +ATOM 33646 H2 TIP3 9112 14.926 -26.012 -1.733 1.00 0.00 WAT +ATOM 33647 OH2 TIP3 9113 16.423 -41.276 -4.389 1.00 0.00 WAT +ATOM 33648 H1 TIP3 9113 17.132 -41.599 -4.972 1.00 0.00 WAT +ATOM 33649 H2 TIP3 9113 16.941 -40.740 -3.760 1.00 0.00 WAT +ATOM 33650 OH2 TIP3 9114 21.661 -40.605 -2.106 1.00 0.00 WAT +ATOM 33651 H1 TIP3 9114 21.729 -41.435 -1.593 1.00 0.00 WAT +ATOM 33652 H2 TIP3 9114 21.849 -39.914 -1.442 1.00 0.00 WAT +ATOM 33653 OH2 TIP3 9115 23.621 -25.148 -3.649 1.00 0.00 WAT +ATOM 33654 H1 TIP3 9115 24.592 -25.113 -3.710 1.00 0.00 WAT +ATOM 33655 H2 TIP3 9115 23.416 -25.784 -4.353 1.00 0.00 WAT +ATOM 33656 OH2 TIP3 9116 30.154 -26.103 -1.080 1.00 0.00 WAT +ATOM 33657 H1 TIP3 9116 29.893 -26.944 -1.509 1.00 0.00 WAT +ATOM 33658 H2 TIP3 9116 30.043 -25.476 -1.816 1.00 0.00 WAT +ATOM 33659 OH2 TIP3 9117 15.549 -41.786 10.392 1.00 0.00 WAT +ATOM 33660 H1 TIP3 9117 15.102 -42.580 10.719 1.00 0.00 WAT +ATOM 33661 H2 TIP3 9117 16.437 -42.155 10.272 1.00 0.00 WAT +ATOM 33662 OH2 TIP3 9118 18.484 -42.782 13.037 1.00 0.00 WAT +ATOM 33663 H1 TIP3 9118 19.352 -43.049 12.661 1.00 0.00 WAT +ATOM 33664 H2 TIP3 9118 18.250 -43.563 13.550 1.00 0.00 WAT +ATOM 33665 OH2 TIP3 9119 16.345 -26.075 -4.973 1.00 0.00 WAT +ATOM 33666 H1 TIP3 9119 16.171 -25.688 -4.102 1.00 0.00 WAT +ATOM 33667 H2 TIP3 9119 17.183 -26.549 -4.835 1.00 0.00 WAT +ATOM 33668 OH2 TIP3 9120 29.626 -27.338 11.302 1.00 0.00 WAT +ATOM 33669 H1 TIP3 9120 28.895 -27.543 10.690 1.00 0.00 WAT +ATOM 33670 H2 TIP3 9120 29.430 -26.404 11.506 1.00 0.00 WAT +ATOM 33671 OH2 TIP3 9121 42.114 -34.555 4.593 1.00 0.00 WAT +ATOM 33672 H1 TIP3 9121 42.915 -34.296 5.086 1.00 0.00 WAT +ATOM 33673 H2 TIP3 9121 42.445 -34.624 3.690 1.00 0.00 WAT +ATOM 33674 OH2 TIP3 9122 35.145 -34.638 6.182 1.00 0.00 WAT +ATOM 33675 H1 TIP3 9122 35.134 -35.386 6.807 1.00 0.00 WAT +ATOM 33676 H2 TIP3 9122 35.866 -34.103 6.544 1.00 0.00 WAT +ATOM 33677 OH2 TIP3 9123 35.811 -29.997 4.688 1.00 0.00 WAT +ATOM 33678 H1 TIP3 9123 35.565 -30.911 4.428 1.00 0.00 WAT +ATOM 33679 H2 TIP3 9123 36.744 -30.138 4.906 1.00 0.00 WAT +ATOM 33680 OH2 TIP3 9124 32.795 -36.613 0.071 1.00 0.00 WAT +ATOM 33681 H1 TIP3 9124 32.404 -35.728 0.155 1.00 0.00 WAT +ATOM 33682 H2 TIP3 9124 32.067 -37.102 -0.332 1.00 0.00 WAT +ATOM 33683 OH2 TIP3 9125 33.614 -34.134 1.930 1.00 0.00 WAT +ATOM 33684 H1 TIP3 9125 33.754 -34.973 2.411 1.00 0.00 WAT +ATOM 33685 H2 TIP3 9125 34.445 -34.047 1.446 1.00 0.00 WAT +ATOM 33686 OH2 TIP3 9126 41.196 -31.707 5.181 1.00 0.00 WAT +ATOM 33687 H1 TIP3 9126 41.445 -32.461 4.620 1.00 0.00 WAT +ATOM 33688 H2 TIP3 9126 42.035 -31.512 5.616 1.00 0.00 WAT +ATOM 33689 OH2 TIP3 9127 37.422 -39.414 2.690 1.00 0.00 WAT +ATOM 33690 H1 TIP3 9127 37.585 -38.558 2.246 1.00 0.00 WAT +ATOM 33691 H2 TIP3 9127 37.081 -39.934 1.937 1.00 0.00 WAT +ATOM 33692 OH2 TIP3 9128 34.122 -36.622 3.164 1.00 0.00 WAT +ATOM 33693 H1 TIP3 9128 34.727 -37.112 3.742 1.00 0.00 WAT +ATOM 33694 H2 TIP3 9128 34.197 -37.123 2.333 1.00 0.00 WAT +ATOM 33695 OH2 TIP3 9129 39.513 -35.284 2.652 1.00 0.00 WAT +ATOM 33696 H1 TIP3 9129 40.269 -35.807 2.992 1.00 0.00 WAT +ATOM 33697 H2 TIP3 9129 39.024 -35.975 2.171 1.00 0.00 WAT +ATOM 33698 OH2 TIP3 9130 36.222 -40.563 6.846 1.00 0.00 WAT +ATOM 33699 H1 TIP3 9130 35.890 -40.010 6.119 1.00 0.00 WAT +ATOM 33700 H2 TIP3 9130 35.552 -40.362 7.531 1.00 0.00 WAT +ATOM 33701 OH2 TIP3 9131 39.158 -32.756 6.973 1.00 0.00 WAT +ATOM 33702 H1 TIP3 9131 38.428 -32.150 7.218 1.00 0.00 WAT +ATOM 33703 H2 TIP3 9131 39.808 -32.148 6.579 1.00 0.00 WAT +ATOM 33704 OH2 TIP3 9132 35.839 -38.560 4.781 1.00 0.00 WAT +ATOM 33705 H1 TIP3 9132 36.472 -37.949 5.215 1.00 0.00 WAT +ATOM 33706 H2 TIP3 9132 36.403 -38.902 4.052 1.00 0.00 WAT +ATOM 33707 OH2 TIP3 9133 37.154 -30.834 7.686 1.00 0.00 WAT +ATOM 33708 H1 TIP3 9133 37.123 -29.915 7.364 1.00 0.00 WAT +ATOM 33709 H2 TIP3 9133 36.282 -30.891 8.119 1.00 0.00 WAT +ATOM 33710 OH2 TIP3 9134 33.477 -31.118 -1.442 1.00 0.00 WAT +ATOM 33711 H1 TIP3 9134 33.269 -30.629 -2.258 1.00 0.00 WAT +ATOM 33712 H2 TIP3 9134 33.630 -30.410 -0.784 1.00 0.00 WAT +ATOM 33713 OH2 TIP3 9135 40.476 43.796 4.106 1.00 0.00 WAT +ATOM 33714 H1 TIP3 9135 40.421 42.834 4.180 1.00 0.00 WAT +ATOM 33715 H2 TIP3 9135 39.596 44.111 4.390 1.00 0.00 WAT +ATOM 33716 OH2 TIP3 9136 42.666 -34.285 -1.426 1.00 0.00 WAT +ATOM 33717 H1 TIP3 9136 41.977 -33.599 -1.523 1.00 0.00 WAT +ATOM 33718 H2 TIP3 9136 43.300 -34.000 -2.083 1.00 0.00 WAT +ATOM 33719 OH2 TIP3 9137 42.905 -35.789 -4.239 1.00 0.00 WAT +ATOM 33720 H1 TIP3 9137 43.667 -35.842 -3.642 1.00 0.00 WAT +ATOM 33721 H2 TIP3 9137 42.935 -36.623 -4.717 1.00 0.00 WAT +ATOM 33722 OH2 TIP3 9138 37.589 -33.388 1.560 1.00 0.00 WAT +ATOM 33723 H1 TIP3 9138 37.278 -33.823 0.743 1.00 0.00 WAT +ATOM 33724 H2 TIP3 9138 38.232 -34.036 1.901 1.00 0.00 WAT +ATOM 33725 OH2 TIP3 9139 38.983 -29.984 4.309 1.00 0.00 WAT +ATOM 33726 H1 TIP3 9139 38.875 -30.395 3.440 1.00 0.00 WAT +ATOM 33727 H2 TIP3 9139 39.770 -30.450 4.651 1.00 0.00 WAT +ATOM 33728 OH2 TIP3 9140 38.156 -34.568 5.040 1.00 0.00 WAT +ATOM 33729 H1 TIP3 9140 38.755 -34.587 4.267 1.00 0.00 WAT +ATOM 33730 H2 TIP3 9140 38.584 -33.912 5.623 1.00 0.00 WAT +ATOM 33731 OH2 TIP3 9141 39.039 -30.208 9.860 1.00 0.00 WAT +ATOM 33732 H1 TIP3 9141 38.510 -29.566 10.363 1.00 0.00 WAT +ATOM 33733 H2 TIP3 9141 38.402 -30.496 9.180 1.00 0.00 WAT +ATOM 33734 OH2 TIP3 9142 35.950 -33.865 9.009 1.00 0.00 WAT +ATOM 33735 H1 TIP3 9142 35.992 -33.276 9.783 1.00 0.00 WAT +ATOM 33736 H2 TIP3 9142 34.989 -33.982 8.909 1.00 0.00 WAT +ATOM 33737 OH2 TIP3 9143 42.501 -28.146 0.750 1.00 0.00 WAT +ATOM 33738 H1 TIP3 9143 42.988 -27.648 1.428 1.00 0.00 WAT +ATOM 33739 H2 TIP3 9143 41.991 -27.451 0.315 1.00 0.00 WAT +ATOM 33740 OH2 TIP3 9144 37.096 -28.023 10.709 1.00 0.00 WAT +ATOM 33741 H1 TIP3 9144 37.000 -28.034 9.740 1.00 0.00 WAT +ATOM 33742 H2 TIP3 9144 36.224 -28.334 11.019 1.00 0.00 WAT +ATOM 33743 OH2 TIP3 9145 36.496 -34.629 -0.908 1.00 0.00 WAT +ATOM 33744 H1 TIP3 9145 36.296 -33.867 -1.479 1.00 0.00 WAT +ATOM 33745 H2 TIP3 9145 35.832 -35.270 -1.193 1.00 0.00 WAT +ATOM 33746 OH2 TIP3 9146 32.572 -31.958 7.815 1.00 0.00 WAT +ATOM 33747 H1 TIP3 9146 32.116 -31.956 6.949 1.00 0.00 WAT +ATOM 33748 H2 TIP3 9146 32.687 -32.913 7.977 1.00 0.00 WAT +ATOM 33749 OH2 TIP3 9147 32.624 -29.012 4.730 1.00 0.00 WAT +ATOM 33750 H1 TIP3 9147 33.538 -29.327 4.797 1.00 0.00 WAT +ATOM 33751 H2 TIP3 9147 32.557 -28.438 5.506 1.00 0.00 WAT +ATOM 33752 OH2 TIP3 9148 41.723 -29.204 9.364 1.00 0.00 WAT +ATOM 33753 H1 TIP3 9148 41.791 -28.325 9.760 1.00 0.00 WAT +ATOM 33754 H2 TIP3 9148 40.816 -29.487 9.586 1.00 0.00 WAT +ATOM 33755 OH2 TIP3 9149 41.779 -25.342 -0.727 1.00 0.00 WAT +ATOM 33756 H1 TIP3 9149 42.044 -25.382 -1.657 1.00 0.00 WAT +ATOM 33757 H2 TIP3 9149 42.114 -24.490 -0.425 1.00 0.00 WAT +ATOM 33758 OH2 TIP3 9150 35.740 -26.223 0.923 1.00 0.00 WAT +ATOM 33759 H1 TIP3 9150 35.869 -26.702 1.767 1.00 0.00 WAT +ATOM 33760 H2 TIP3 9150 34.926 -26.636 0.597 1.00 0.00 WAT +ATOM 33761 OH2 TIP3 9151 34.738 -30.398 9.068 1.00 0.00 WAT +ATOM 33762 H1 TIP3 9151 35.023 -30.885 9.869 1.00 0.00 WAT +ATOM 33763 H2 TIP3 9151 34.013 -30.950 8.722 1.00 0.00 WAT +ATOM 33764 OH2 TIP3 9152 37.978 -42.214 4.991 1.00 0.00 WAT +ATOM 33765 H1 TIP3 9152 37.162 -42.470 4.537 1.00 0.00 WAT +ATOM 33766 H2 TIP3 9152 37.710 -41.373 5.394 1.00 0.00 WAT +ATOM 33767 OH2 TIP3 9153 42.261 -43.057 8.592 1.00 0.00 WAT +ATOM 33768 H1 TIP3 9153 42.558 -43.150 9.501 1.00 0.00 WAT +ATOM 33769 H2 TIP3 9153 41.333 -42.800 8.696 1.00 0.00 WAT +ATOM 33770 OH2 TIP3 9154 42.252 -39.879 -4.277 1.00 0.00 WAT +ATOM 33771 H1 TIP3 9154 41.642 -40.000 -3.528 1.00 0.00 WAT +ATOM 33772 H2 TIP3 9154 41.855 -40.521 -4.900 1.00 0.00 WAT +ATOM 33773 OH2 TIP3 9155 37.790 -37.143 6.240 1.00 0.00 WAT +ATOM 33774 H1 TIP3 9155 37.170 -37.026 6.979 1.00 0.00 WAT +ATOM 33775 H2 TIP3 9155 37.868 -36.236 5.875 1.00 0.00 WAT +ATOM 33776 OH2 TIP3 9156 37.742 -37.098 1.132 1.00 0.00 WAT +ATOM 33777 H1 TIP3 9156 36.786 -37.178 0.964 1.00 0.00 WAT +ATOM 33778 H2 TIP3 9156 38.096 -37.256 0.235 1.00 0.00 WAT +ATOM 33779 OH2 TIP3 9157 42.784 -36.708 0.615 1.00 0.00 WAT +ATOM 33780 H1 TIP3 9157 42.803 -35.753 0.452 1.00 0.00 WAT +ATOM 33781 H2 TIP3 9157 43.714 -36.952 0.715 1.00 0.00 WAT +ATOM 33782 OH2 TIP3 9158 42.498 -36.262 11.438 1.00 0.00 WAT +ATOM 33783 H1 TIP3 9158 41.930 -37.055 11.557 1.00 0.00 WAT +ATOM 33784 H2 TIP3 9158 43.371 -36.703 11.466 1.00 0.00 WAT +ATOM 33785 OH2 TIP3 9159 35.197 -36.967 8.059 1.00 0.00 WAT +ATOM 33786 H1 TIP3 9159 35.422 -36.684 8.952 1.00 0.00 WAT +ATOM 33787 H2 TIP3 9159 34.783 -37.836 8.235 1.00 0.00 WAT +ATOM 33788 OH2 TIP3 9160 38.591 -39.363 -5.341 1.00 0.00 WAT +ATOM 33789 H1 TIP3 9160 38.222 -39.767 -4.536 1.00 0.00 WAT +ATOM 33790 H2 TIP3 9160 37.817 -39.261 -5.908 1.00 0.00 WAT +ATOM 33791 OH2 TIP3 9161 31.970 -39.554 1.702 1.00 0.00 WAT +ATOM 33792 H1 TIP3 9161 32.543 -39.560 2.494 1.00 0.00 WAT +ATOM 33793 H2 TIP3 9161 32.526 -39.941 1.014 1.00 0.00 WAT +ATOM 33794 OH2 TIP3 9162 33.570 -39.108 -2.575 1.00 0.00 WAT +ATOM 33795 H1 TIP3 9162 34.109 -38.604 -3.215 1.00 0.00 WAT +ATOM 33796 H2 TIP3 9162 32.856 -38.466 -2.397 1.00 0.00 WAT +ATOM 33797 OH2 TIP3 9163 43.508 -35.722 7.485 1.00 0.00 WAT +ATOM 33798 H1 TIP3 9163 43.802 -36.382 6.822 1.00 0.00 WAT +ATOM 33799 H2 TIP3 9163 42.721 -36.159 7.831 1.00 0.00 WAT +ATOM 33800 OH2 TIP3 9164 40.501 -39.700 2.089 1.00 0.00 WAT +ATOM 33801 H1 TIP3 9164 39.572 -39.628 2.359 1.00 0.00 WAT +ATOM 33802 H2 TIP3 9164 40.946 -39.552 2.940 1.00 0.00 WAT +ATOM 33803 OH2 TIP3 9165 35.086 -38.265 0.818 1.00 0.00 WAT +ATOM 33804 H1 TIP3 9165 34.272 -37.989 0.360 1.00 0.00 WAT +ATOM 33805 H2 TIP3 9165 35.350 -39.080 0.351 1.00 0.00 WAT +ATOM 33806 OH2 TIP3 9166 38.693 -37.909 -1.488 1.00 0.00 WAT +ATOM 33807 H1 TIP3 9166 39.661 -37.838 -1.451 1.00 0.00 WAT +ATOM 33808 H2 TIP3 9166 38.444 -37.316 -2.218 1.00 0.00 WAT +ATOM 33809 OH2 TIP3 9167 37.222 -36.701 -3.740 1.00 0.00 WAT +ATOM 33810 H1 TIP3 9167 36.616 -36.943 -4.457 1.00 0.00 WAT +ATOM 33811 H2 TIP3 9167 38.041 -36.543 -4.237 1.00 0.00 WAT +ATOM 33812 OH2 TIP3 9168 35.822 -31.933 11.244 1.00 0.00 WAT +ATOM 33813 H1 TIP3 9168 36.499 -31.864 11.949 1.00 0.00 WAT +ATOM 33814 H2 TIP3 9168 35.017 -31.973 11.797 1.00 0.00 WAT +ATOM 33815 OH2 TIP3 9169 41.385 -37.340 3.565 1.00 0.00 WAT +ATOM 33816 H1 TIP3 9169 42.164 -37.654 3.090 1.00 0.00 WAT +ATOM 33817 H2 TIP3 9169 41.649 -37.463 4.492 1.00 0.00 WAT +ATOM 33818 OH2 TIP3 9170 36.674 -40.664 0.202 1.00 0.00 WAT +ATOM 33819 H1 TIP3 9170 36.209 -41.513 0.314 1.00 0.00 WAT +ATOM 33820 H2 TIP3 9170 37.511 -40.942 -0.196 1.00 0.00 WAT +ATOM 33821 OH2 TIP3 9171 40.489 -38.585 6.277 1.00 0.00 WAT +ATOM 33822 H1 TIP3 9171 39.795 -37.929 6.094 1.00 0.00 WAT +ATOM 33823 H2 TIP3 9171 40.996 -38.147 6.979 1.00 0.00 WAT +ATOM 33824 OH2 TIP3 9172 40.730 -32.253 -1.846 1.00 0.00 WAT +ATOM 33825 H1 TIP3 9172 39.943 -32.705 -2.216 1.00 0.00 WAT +ATOM 33826 H2 TIP3 9172 40.489 -32.143 -0.897 1.00 0.00 WAT +ATOM 33827 OH2 TIP3 9173 42.046 -32.239 9.382 1.00 0.00 WAT +ATOM 33828 H1 TIP3 9173 41.842 -32.338 10.315 1.00 0.00 WAT +ATOM 33829 H2 TIP3 9173 42.137 -31.279 9.268 1.00 0.00 WAT +ATOM 33830 OH2 TIP3 9174 35.797 -32.697 3.933 1.00 0.00 WAT +ATOM 33831 H1 TIP3 9174 36.347 -32.812 3.140 1.00 0.00 WAT +ATOM 33832 H2 TIP3 9174 35.889 -33.561 4.365 1.00 0.00 WAT +ATOM 33833 OH2 TIP3 9175 42.865 -30.820 -2.890 1.00 0.00 WAT +ATOM 33834 H1 TIP3 9175 42.598 -29.928 -2.587 1.00 0.00 WAT +ATOM 33835 H2 TIP3 9175 42.108 -31.350 -2.560 1.00 0.00 WAT +ATOM 33836 OH2 TIP3 9176 33.032 -34.429 9.201 1.00 0.00 WAT +ATOM 33837 H1 TIP3 9176 33.193 -34.888 10.048 1.00 0.00 WAT +ATOM 33838 H2 TIP3 9176 32.442 -35.042 8.731 1.00 0.00 WAT +ATOM 33839 OH2 TIP3 9177 40.018 -34.923 11.215 1.00 0.00 WAT +ATOM 33840 H1 TIP3 9177 39.655 -35.234 10.367 1.00 0.00 WAT +ATOM 33841 H2 TIP3 9177 40.955 -35.176 11.122 1.00 0.00 WAT +ATOM 33842 OH2 TIP3 9178 38.147 -29.420 1.190 1.00 0.00 WAT +ATOM 33843 H1 TIP3 9178 38.575 -28.559 1.059 1.00 0.00 WAT +ATOM 33844 H2 TIP3 9178 37.233 -29.229 0.944 1.00 0.00 WAT +ATOM 33845 OH2 TIP3 9179 34.155 -34.629 -4.196 1.00 0.00 WAT +ATOM 33846 H1 TIP3 9179 34.725 -33.941 -3.808 1.00 0.00 WAT +ATOM 33847 H2 TIP3 9179 33.276 -34.350 -3.877 1.00 0.00 WAT +ATOM 33848 OH2 TIP3 9180 39.948 -31.738 0.786 1.00 0.00 WAT +ATOM 33849 H1 TIP3 9180 39.676 -30.821 0.952 1.00 0.00 WAT +ATOM 33850 H2 TIP3 9180 39.236 -32.230 1.223 1.00 0.00 WAT +ATOM 33851 OH2 TIP3 9181 40.196 -27.426 7.209 1.00 0.00 WAT +ATOM 33852 H1 TIP3 9181 40.791 -26.727 6.862 1.00 0.00 WAT +ATOM 33853 H2 TIP3 9181 40.830 -27.977 7.691 1.00 0.00 WAT +ATOM 33854 OH2 TIP3 9182 38.591 -26.519 0.405 1.00 0.00 WAT +ATOM 33855 H1 TIP3 9182 37.635 -26.368 0.490 1.00 0.00 WAT +ATOM 33856 H2 TIP3 9182 38.954 -25.644 0.630 1.00 0.00 WAT +ATOM 33857 OH2 TIP3 9183 34.374 -39.610 8.786 1.00 0.00 WAT +ATOM 33858 H1 TIP3 9183 33.461 -39.425 8.472 1.00 0.00 WAT +ATOM 33859 H2 TIP3 9183 34.216 -40.474 9.224 1.00 0.00 WAT +ATOM 33860 OH2 TIP3 9184 34.142 -28.016 7.209 1.00 0.00 WAT +ATOM 33861 H1 TIP3 9184 34.404 -28.938 7.346 1.00 0.00 WAT +ATOM 33862 H2 TIP3 9184 34.350 -27.648 8.076 1.00 0.00 WAT +ATOM 33863 OH2 TIP3 9185 39.945 -29.332 -5.768 1.00 0.00 WAT +ATOM 33864 H1 TIP3 9185 40.297 -30.097 -6.261 1.00 0.00 WAT +ATOM 33865 H2 TIP3 9185 39.566 -29.773 -4.988 1.00 0.00 WAT +ATOM 33866 OH2 TIP3 9186 38.871 -29.898 -3.027 1.00 0.00 WAT +ATOM 33867 H1 TIP3 9186 39.339 -30.401 -2.347 1.00 0.00 WAT +ATOM 33868 H2 TIP3 9186 38.988 -28.976 -2.720 1.00 0.00 WAT +ATOM 33869 OH2 TIP3 9187 35.668 -32.412 -2.660 1.00 0.00 WAT +ATOM 33870 H1 TIP3 9187 34.930 -32.029 -2.144 1.00 0.00 WAT +ATOM 33871 H2 TIP3 9187 36.123 -31.604 -2.952 1.00 0.00 WAT +ATOM 33872 OH2 TIP3 9188 43.296 -39.286 7.937 1.00 0.00 WAT +ATOM 33873 H1 TIP3 9188 43.912 -40.034 7.820 1.00 0.00 WAT +ATOM 33874 H2 TIP3 9188 42.694 -39.540 7.220 1.00 0.00 WAT +ATOM 33875 OH2 TIP3 9189 41.693 -28.224 -2.487 1.00 0.00 WAT +ATOM 33876 H1 TIP3 9189 40.878 -27.728 -2.293 1.00 0.00 WAT +ATOM 33877 H2 TIP3 9189 42.092 -27.686 -3.178 1.00 0.00 WAT +ATOM 33878 OH2 TIP3 9190 41.331 -38.675 -0.424 1.00 0.00 WAT +ATOM 33879 H1 TIP3 9190 41.948 -37.959 -0.145 1.00 0.00 WAT +ATOM 33880 H2 TIP3 9190 40.973 -38.887 0.460 1.00 0.00 WAT +ATOM 33881 OH2 TIP3 9191 41.474 -37.628 8.910 1.00 0.00 WAT +ATOM 33882 H1 TIP3 9191 41.840 -37.019 9.562 1.00 0.00 WAT +ATOM 33883 H2 TIP3 9191 42.208 -38.262 8.764 1.00 0.00 WAT +ATOM 33884 OH2 TIP3 9192 42.031 -41.709 0.880 1.00 0.00 WAT +ATOM 33885 H1 TIP3 9192 41.704 -40.844 1.206 1.00 0.00 WAT +ATOM 33886 H2 TIP3 9192 42.695 -41.461 0.211 1.00 0.00 WAT +ATOM 33887 OH2 TIP3 9193 38.951 -27.173 -2.440 1.00 0.00 WAT +ATOM 33888 H1 TIP3 9193 38.895 -26.360 -2.982 1.00 0.00 WAT +ATOM 33889 H2 TIP3 9193 38.817 -26.824 -1.538 1.00 0.00 WAT +ATOM 33890 OH2 TIP3 9194 37.661 -40.496 -2.922 1.00 0.00 WAT +ATOM 33891 H1 TIP3 9194 37.666 -39.677 -2.396 1.00 0.00 WAT +ATOM 33892 H2 TIP3 9194 38.552 -40.838 -2.719 1.00 0.00 WAT +ATOM 33893 OH2 TIP3 9195 36.113 -29.605 -3.885 1.00 0.00 WAT +ATOM 33894 H1 TIP3 9195 36.851 -29.111 -3.491 1.00 0.00 WAT +ATOM 33895 H2 TIP3 9195 36.595 -30.102 -4.565 1.00 0.00 WAT +ATOM 33896 OH2 TIP3 9196 34.242 -37.435 -4.791 1.00 0.00 WAT +ATOM 33897 H1 TIP3 9196 34.356 -36.493 -4.560 1.00 0.00 WAT +ATOM 33898 H2 TIP3 9196 33.368 -37.432 -5.201 1.00 0.00 WAT +ATOM 33899 OH2 TIP3 9197 34.351 -42.423 4.173 1.00 0.00 WAT +ATOM 33900 H1 TIP3 9197 34.759 -42.434 3.297 1.00 0.00 WAT +ATOM 33901 H2 TIP3 9197 34.571 -43.324 4.456 1.00 0.00 WAT +ATOM 33902 OH2 TIP3 9198 34.066 -28.880 0.291 1.00 0.00 WAT +ATOM 33903 H1 TIP3 9198 33.271 -28.381 0.524 1.00 0.00 WAT +ATOM 33904 H2 TIP3 9198 34.411 -28.361 -0.452 1.00 0.00 WAT +ATOM 33905 OH2 TIP3 9199 33.464 -25.968 11.398 1.00 0.00 WAT +ATOM 33906 H1 TIP3 9199 34.040 -26.252 12.133 1.00 0.00 WAT +ATOM 33907 H2 TIP3 9199 33.071 -26.821 11.125 1.00 0.00 WAT +ATOM 33908 OH2 TIP3 9200 38.183 -26.887 13.192 1.00 0.00 WAT +ATOM 33909 H1 TIP3 9200 38.820 -27.583 13.421 1.00 0.00 WAT +ATOM 33910 H2 TIP3 9200 37.899 -27.183 12.311 1.00 0.00 WAT +ATOM 33911 OH2 TIP3 9201 42.301 -27.684 -5.442 1.00 0.00 WAT +ATOM 33912 H1 TIP3 9201 41.470 -28.203 -5.451 1.00 0.00 WAT +ATOM 33913 H2 TIP3 9201 42.937 -28.407 -5.586 1.00 0.00 WAT +ATOM 33914 OH2 TIP3 9202 33.414 -32.351 12.543 1.00 0.00 WAT +ATOM 33915 H1 TIP3 9202 33.501 -33.258 12.206 1.00 0.00 WAT +ATOM 33916 H2 TIP3 9202 32.640 -32.044 12.032 1.00 0.00 WAT +ATOM 33917 OH2 TIP3 9203 37.626 -31.919 -5.431 1.00 0.00 WAT +ATOM 33918 H1 TIP3 9203 37.785 -32.515 -4.680 1.00 0.00 WAT +ATOM 33919 H2 TIP3 9203 38.483 -31.962 -5.889 1.00 0.00 WAT +ATOM 33920 OH2 TIP3 9204 40.072 -32.138 11.870 1.00 0.00 WAT +ATOM 33921 H1 TIP3 9204 39.790 -31.824 10.994 1.00 0.00 WAT +ATOM 33922 H2 TIP3 9204 40.154 -33.105 11.735 1.00 0.00 WAT +ATOM 33923 OH2 TIP3 9205 42.615 -30.601 -5.891 1.00 0.00 WAT +ATOM 33924 H1 TIP3 9205 42.780 -30.499 -4.937 1.00 0.00 WAT +ATOM 33925 H2 TIP3 9205 42.423 -31.553 -5.946 1.00 0.00 WAT +ATOM 33926 OH2 TIP3 9206 34.279 -35.222 11.717 1.00 0.00 WAT +ATOM 33927 H1 TIP3 9206 35.019 -35.853 11.730 1.00 0.00 WAT +ATOM 33928 H2 TIP3 9206 34.217 -35.001 12.661 1.00 0.00 WAT +ATOM 33929 OH2 TIP3 9207 38.706 -33.865 -3.123 1.00 0.00 WAT +ATOM 33930 H1 TIP3 9207 38.085 -34.357 -2.566 1.00 0.00 WAT +ATOM 33931 H2 TIP3 9207 39.017 -34.565 -3.730 1.00 0.00 WAT +ATOM 33932 OH2 TIP3 9208 37.968 -36.041 9.196 1.00 0.00 WAT +ATOM 33933 H1 TIP3 9208 37.391 -35.268 9.340 1.00 0.00 WAT +ATOM 33934 H2 TIP3 9208 38.524 -35.737 8.461 1.00 0.00 WAT +ATOM 33935 OH2 TIP3 9209 39.786 -35.850 -4.811 1.00 0.00 WAT +ATOM 33936 H1 TIP3 9209 39.687 -35.794 -5.778 1.00 0.00 WAT +ATOM 33937 H2 TIP3 9209 40.742 -35.725 -4.706 1.00 0.00 WAT +ATOM 33938 OH2 TIP3 9210 42.831 -33.587 12.867 1.00 0.00 WAT +ATOM 33939 H1 TIP3 9210 43.531 -33.894 12.284 1.00 0.00 WAT +ATOM 33940 H2 TIP3 9210 42.659 -34.399 13.375 1.00 0.00 WAT +ATOM 33941 OH2 TIP3 9211 38.528 -38.787 10.290 1.00 0.00 WAT +ATOM 33942 H1 TIP3 9211 38.634 -39.424 9.566 1.00 0.00 WAT +ATOM 33943 H2 TIP3 9211 38.396 -37.958 9.797 1.00 0.00 WAT +ATOM 33944 OH2 TIP3 9212 38.908 -40.372 7.673 1.00 0.00 WAT +ATOM 33945 H1 TIP3 9212 39.424 -39.783 7.077 1.00 0.00 WAT +ATOM 33946 H2 TIP3 9212 37.996 -40.255 7.337 1.00 0.00 WAT +ATOM 33947 OH2 TIP3 9213 40.678 -34.931 8.042 1.00 0.00 WAT +ATOM 33948 H1 TIP3 9213 41.363 -34.915 7.364 1.00 0.00 WAT +ATOM 33949 H2 TIP3 9213 40.290 -34.048 7.926 1.00 0.00 WAT +ATOM 33950 OH2 TIP3 9214 36.752 -36.981 12.116 1.00 0.00 WAT +ATOM 33951 H1 TIP3 9214 36.221 -37.796 12.086 1.00 0.00 WAT +ATOM 33952 H2 TIP3 9214 37.542 -37.250 11.621 1.00 0.00 WAT +ATOM 33953 OH2 TIP3 9215 39.344 -42.721 8.933 1.00 0.00 WAT +ATOM 33954 H1 TIP3 9215 39.444 -41.834 8.521 1.00 0.00 WAT +ATOM 33955 H2 TIP3 9215 38.440 -42.911 8.652 1.00 0.00 WAT +ATOM 33956 OH2 TIP3 9216 41.055 -38.557 11.835 1.00 0.00 WAT +ATOM 33957 H1 TIP3 9216 40.692 -38.871 12.677 1.00 0.00 WAT +ATOM 33958 H2 TIP3 9216 40.306 -38.749 11.240 1.00 0.00 WAT +ATOM 33959 OH2 TIP3 9217 35.517 -39.592 11.958 1.00 0.00 WAT +ATOM 33960 H1 TIP3 9217 35.258 -40.201 11.244 1.00 0.00 WAT +ATOM 33961 H2 TIP3 9217 35.069 -39.979 12.725 1.00 0.00 WAT +ATOM 33962 OH2 TIP3 9218 40.538 -41.457 13.002 1.00 0.00 WAT +ATOM 33963 H1 TIP3 9218 40.282 -42.281 12.546 1.00 0.00 WAT +ATOM 33964 H2 TIP3 9218 39.703 -40.960 13.032 1.00 0.00 WAT +ATOM 33965 OH2 TIP3 9219 39.564 -24.578 -3.689 1.00 0.00 WAT +ATOM 33966 H1 TIP3 9219 40.531 -24.563 -3.692 1.00 0.00 WAT +ATOM 33967 H2 TIP3 9219 39.373 -24.166 -4.543 1.00 0.00 WAT +ATOM 33968 OH2 TIP3 9220 33.346 -30.209 -4.187 1.00 0.00 WAT +ATOM 33969 H1 TIP3 9220 34.302 -30.020 -4.081 1.00 0.00 WAT +ATOM 33970 H2 TIP3 9220 33.354 -30.978 -4.791 1.00 0.00 WAT +ATOM 33971 OH2 TIP3 9221 32.344 -25.003 0.514 1.00 0.00 WAT +ATOM 33972 H1 TIP3 9221 31.629 -25.374 -0.041 1.00 0.00 WAT +ATOM 33973 H2 TIP3 9221 32.421 -25.690 1.207 1.00 0.00 WAT +ATOM 33974 OH2 TIP3 9222 32.734 -26.985 2.508 1.00 0.00 WAT +ATOM 33975 H1 TIP3 9222 32.426 -27.855 2.812 1.00 0.00 WAT +ATOM 33976 H2 TIP3 9222 33.047 -26.629 3.352 1.00 0.00 WAT +ATOM 33977 OH2 TIP3 9223 32.803 -33.643 4.908 1.00 0.00 WAT +ATOM 33978 H1 TIP3 9223 33.052 -33.594 3.970 1.00 0.00 WAT +ATOM 33979 H2 TIP3 9223 33.670 -33.860 5.311 1.00 0.00 WAT +ATOM 33980 OH2 TIP3 9224 32.669 -38.355 11.468 1.00 0.00 WAT +ATOM 33981 H1 TIP3 9224 33.583 -38.590 11.255 1.00 0.00 WAT +ATOM 33982 H2 TIP3 9224 32.220 -39.212 11.403 1.00 0.00 WAT +ATOM 33983 OH2 TIP3 9225 33.409 -39.895 4.115 1.00 0.00 WAT +ATOM 33984 H1 TIP3 9225 33.715 -40.825 4.215 1.00 0.00 WAT +ATOM 33985 H2 TIP3 9225 34.166 -39.404 4.484 1.00 0.00 WAT +ATOM 33986 OH2 TIP3 9226 32.022 -37.278 5.149 1.00 0.00 WAT +ATOM 33987 H1 TIP3 9226 32.606 -37.332 4.378 1.00 0.00 WAT +ATOM 33988 H2 TIP3 9226 32.399 -36.524 5.619 1.00 0.00 WAT +ATOM 33989 OH2 TIP3 9227 32.556 -41.029 -0.804 1.00 0.00 WAT +ATOM 33990 H1 TIP3 9227 31.606 -40.936 -0.991 1.00 0.00 WAT +ATOM 33991 H2 TIP3 9227 32.954 -40.338 -1.374 1.00 0.00 WAT +ATOM 33992 OH2 TIP3 9228 32.328 -41.264 7.728 1.00 0.00 WAT +ATOM 33993 H1 TIP3 9228 32.333 -42.206 7.989 1.00 0.00 WAT +ATOM 33994 H2 TIP3 9228 32.128 -41.335 6.784 1.00 0.00 WAT +ATOM 33995 OH2 TIP3 9229 34.556 -28.924 12.051 1.00 0.00 WAT +ATOM 33996 H1 TIP3 9229 33.841 -28.998 11.402 1.00 0.00 WAT +ATOM 33997 H2 TIP3 9229 34.084 -29.026 12.888 1.00 0.00 WAT +ATOM 33998 OH2 TIP3 9230 37.405 -27.973 7.725 1.00 0.00 WAT +ATOM 33999 H1 TIP3 9230 37.098 -27.125 7.364 1.00 0.00 WAT +ATOM 34000 H2 TIP3 9230 38.363 -27.888 7.551 1.00 0.00 WAT +ATOM 34001 OH2 TIP3 9231 42.187 -26.329 10.623 1.00 0.00 WAT +ATOM 34002 H1 TIP3 9231 42.047 -26.723 11.499 1.00 0.00 WAT +ATOM 34003 H2 TIP3 9231 43.143 -26.142 10.674 1.00 0.00 WAT +ATOM 34004 OH2 TIP3 9232 34.803 -24.983 8.056 1.00 0.00 WAT +ATOM 34005 H1 TIP3 9232 34.171 -24.399 7.601 1.00 0.00 WAT +ATOM 34006 H2 TIP3 9232 34.394 -25.044 8.926 1.00 0.00 WAT +ATOM 34007 OH2 TIP3 9233 37.303 -25.222 6.648 1.00 0.00 WAT +ATOM 34008 H1 TIP3 9233 36.431 -25.073 7.066 1.00 0.00 WAT +ATOM 34009 H2 TIP3 9233 37.296 -24.573 5.925 1.00 0.00 WAT +ATOM 34010 OH2 TIP3 9234 41.953 -25.476 6.183 1.00 0.00 WAT +ATOM 34011 H1 TIP3 9234 41.782 -25.003 5.354 1.00 0.00 WAT +ATOM 34012 H2 TIP3 9234 42.582 -24.903 6.632 1.00 0.00 WAT +ATOM 34013 OH2 TIP3 9235 34.376 -26.210 5.015 1.00 0.00 WAT +ATOM 34014 H1 TIP3 9235 34.336 -26.734 5.846 1.00 0.00 WAT +ATOM 34015 H2 TIP3 9235 35.100 -26.675 4.548 1.00 0.00 WAT +ATOM 34016 OH2 TIP3 9236 36.358 -27.469 3.451 1.00 0.00 WAT +ATOM 34017 H1 TIP3 9236 36.205 -28.408 3.690 1.00 0.00 WAT +ATOM 34018 H2 TIP3 9236 37.280 -27.338 3.747 1.00 0.00 WAT +ATOM 34019 OH2 TIP3 9237 39.130 -26.985 4.321 1.00 0.00 WAT +ATOM 34020 H1 TIP3 9237 39.346 -27.902 4.078 1.00 0.00 WAT +ATOM 34021 H2 TIP3 9237 39.213 -27.033 5.287 1.00 0.00 WAT +ATOM 34022 OH2 TIP3 9238 42.580 -41.420 3.692 1.00 0.00 WAT +ATOM 34023 H1 TIP3 9238 41.799 -41.980 3.854 1.00 0.00 WAT +ATOM 34024 H2 TIP3 9238 42.879 -41.760 2.842 1.00 0.00 WAT +ATOM 34025 OH2 TIP3 9239 34.779 -42.822 0.933 1.00 0.00 WAT +ATOM 34026 H1 TIP3 9239 33.870 -43.055 0.717 1.00 0.00 WAT +ATOM 34027 H2 TIP3 9239 35.133 -43.651 1.271 1.00 0.00 WAT +ATOM 34028 OH2 TIP3 9240 33.367 -42.910 -2.820 1.00 0.00 WAT +ATOM 34029 H1 TIP3 9240 33.828 -42.447 -3.544 1.00 0.00 WAT +ATOM 34030 H2 TIP3 9240 33.017 -42.165 -2.302 1.00 0.00 WAT +ATOM 34031 OH2 TIP3 9241 39.342 -42.483 0.999 1.00 0.00 WAT +ATOM 34032 H1 TIP3 9241 40.288 -42.251 1.053 1.00 0.00 WAT +ATOM 34033 H2 TIP3 9241 39.186 -42.885 1.859 1.00 0.00 WAT +ATOM 34034 OH2 TIP3 9242 33.810 -26.958 -1.773 1.00 0.00 WAT +ATOM 34035 H1 TIP3 9242 33.163 -27.095 -2.484 1.00 0.00 WAT +ATOM 34036 H2 TIP3 9242 33.777 -25.993 -1.704 1.00 0.00 WAT +ATOM 34037 OH2 TIP3 9243 35.287 -41.240 -4.421 1.00 0.00 WAT +ATOM 34038 H1 TIP3 9243 35.988 -41.635 -4.969 1.00 0.00 WAT +ATOM 34039 H2 TIP3 9243 35.821 -40.736 -3.778 1.00 0.00 WAT +ATOM 34040 OH2 TIP3 9244 40.529 -40.635 -2.166 1.00 0.00 WAT +ATOM 34041 H1 TIP3 9244 40.647 -41.495 -1.717 1.00 0.00 WAT +ATOM 34042 H2 TIP3 9244 40.637 -39.977 -1.446 1.00 0.00 WAT +ATOM 34043 OH2 TIP3 9245 42.630 -25.315 -3.690 1.00 0.00 WAT +ATOM 34044 H1 TIP3 9245 43.515 -24.951 -3.869 1.00 0.00 WAT +ATOM 34045 H2 TIP3 9245 42.492 -25.910 -4.448 1.00 0.00 WAT +ATOM 34046 OH2 TIP3 9246 34.410 -41.779 10.405 1.00 0.00 WAT +ATOM 34047 H1 TIP3 9246 33.950 -42.576 10.705 1.00 0.00 WAT +ATOM 34048 H2 TIP3 9246 35.290 -42.159 10.265 1.00 0.00 WAT +ATOM 34049 OH2 TIP3 9247 37.333 -42.781 13.047 1.00 0.00 WAT +ATOM 34050 H1 TIP3 9247 38.202 -43.040 12.667 1.00 0.00 WAT +ATOM 34051 H2 TIP3 9247 37.080 -43.586 13.513 1.00 0.00 WAT +ATOM 34052 OH2 TIP3 9248 35.236 -26.016 -4.973 1.00 0.00 WAT +ATOM 34053 H1 TIP3 9248 34.982 -25.738 -4.080 1.00 0.00 WAT +ATOM 34054 H2 TIP3 9248 36.001 -26.589 -4.811 1.00 0.00 WAT +ATOM 34055 OH2 TIP3 9249 -31.618 -14.808 1.422 1.00 0.00 WAT +ATOM 34056 H1 TIP3 9249 -31.570 -13.847 1.575 1.00 0.00 WAT +ATOM 34057 H2 TIP3 9249 -32.421 -14.871 0.897 1.00 0.00 WAT +ATOM 34058 OH2 TIP3 9250 -32.655 -15.331 4.515 1.00 0.00 WAT +ATOM 34059 H1 TIP3 9250 -32.654 -15.849 5.338 1.00 0.00 WAT +ATOM 34060 H2 TIP3 9250 -32.880 -15.985 3.845 1.00 0.00 WAT +ATOM 34061 OH2 TIP3 9251 -40.310 -15.766 6.188 1.00 0.00 WAT +ATOM 34062 H1 TIP3 9251 -40.299 -16.511 6.816 1.00 0.00 WAT +ATOM 34063 H2 TIP3 9251 -39.563 -15.239 6.505 1.00 0.00 WAT +ATOM 34064 OH2 TIP3 9252 -29.043 -12.493 3.008 1.00 0.00 WAT +ATOM 34065 H1 TIP3 9252 -29.356 -13.153 3.633 1.00 0.00 WAT +ATOM 34066 H2 TIP3 9252 -28.928 -11.720 3.570 1.00 0.00 WAT +ATOM 34067 OH2 TIP3 9253 -39.579 -11.156 4.705 1.00 0.00 WAT +ATOM 34068 H1 TIP3 9253 -39.822 -12.047 4.394 1.00 0.00 WAT +ATOM 34069 H2 TIP3 9253 -38.612 -11.258 4.797 1.00 0.00 WAT +ATOM 34070 OH2 TIP3 9254 -42.971 -17.373 0.679 1.00 0.00 WAT +ATOM 34071 H1 TIP3 9254 -42.998 -16.526 1.174 1.00 0.00 WAT +ATOM 34072 H2 TIP3 9254 -43.889 -17.619 0.587 1.00 0.00 WAT +ATOM 34073 OH2 TIP3 9255 -42.108 -15.174 2.021 1.00 0.00 WAT +ATOM 34074 H1 TIP3 9255 -41.765 -15.896 2.577 1.00 0.00 WAT +ATOM 34075 H2 TIP3 9255 -41.287 -14.796 1.670 1.00 0.00 WAT +ATOM 34076 OH2 TIP3 9256 -34.191 -12.904 5.138 1.00 0.00 WAT +ATOM 34077 H1 TIP3 9256 -33.801 -13.614 4.601 1.00 0.00 WAT +ATOM 34078 H2 TIP3 9256 -33.383 -12.672 5.649 1.00 0.00 WAT +ATOM 34079 OH2 TIP3 9257 -25.577 -21.312 5.650 1.00 0.00 WAT +ATOM 34080 H1 TIP3 9257 -25.326 -20.783 6.433 1.00 0.00 WAT +ATOM 34081 H2 TIP3 9257 -24.867 -21.080 5.019 1.00 0.00 WAT +ATOM 34082 OH2 TIP3 9258 -30.995 -18.537 5.587 1.00 0.00 WAT +ATOM 34083 H1 TIP3 9258 -30.820 -19.492 5.619 1.00 0.00 WAT +ATOM 34084 H2 TIP3 9258 -31.037 -18.380 4.631 1.00 0.00 WAT +ATOM 34085 OH2 TIP3 9259 -38.028 -20.515 2.666 1.00 0.00 WAT +ATOM 34086 H1 TIP3 9259 -37.842 -19.664 2.222 1.00 0.00 WAT +ATOM 34087 H2 TIP3 9259 -38.337 -21.046 1.906 1.00 0.00 WAT +ATOM 34088 OH2 TIP3 9260 -30.133 -20.336 0.979 1.00 0.00 WAT +ATOM 34089 H1 TIP3 9260 -29.581 -20.750 1.679 1.00 0.00 WAT +ATOM 34090 H2 TIP3 9260 -29.437 -19.925 0.439 1.00 0.00 WAT +ATOM 34091 OH2 TIP3 9261 -41.402 -17.750 3.276 1.00 0.00 WAT +ATOM 34092 H1 TIP3 9261 -40.740 -18.205 3.825 1.00 0.00 WAT +ATOM 34093 H2 TIP3 9261 -41.280 -18.194 2.421 1.00 0.00 WAT +ATOM 34094 OH2 TIP3 9262 -35.924 -16.383 2.611 1.00 0.00 WAT +ATOM 34095 H1 TIP3 9262 -35.210 -16.914 3.018 1.00 0.00 WAT +ATOM 34096 H2 TIP3 9262 -36.440 -17.071 2.156 1.00 0.00 WAT +ATOM 34097 OH2 TIP3 9263 -25.039 -20.053 8.110 1.00 0.00 WAT +ATOM 34098 H1 TIP3 9263 -25.265 -19.138 7.866 1.00 0.00 WAT +ATOM 34099 H2 TIP3 9263 -24.876 -19.944 9.053 1.00 0.00 WAT +ATOM 34100 OH2 TIP3 9264 -39.195 -21.711 6.833 1.00 0.00 WAT +ATOM 34101 H1 TIP3 9264 -39.619 -21.245 6.099 1.00 0.00 WAT +ATOM 34102 H2 TIP3 9264 -39.814 -21.521 7.565 1.00 0.00 WAT +ATOM 34103 OH2 TIP3 9265 -31.731 -12.035 0.254 1.00 0.00 WAT +ATOM 34104 H1 TIP3 9265 -32.112 -12.145 -0.612 1.00 0.00 WAT +ATOM 34105 H2 TIP3 9265 -32.016 -11.136 0.502 1.00 0.00 WAT +ATOM 34106 OH2 TIP3 9266 -36.277 -13.850 6.941 1.00 0.00 WAT +ATOM 34107 H1 TIP3 9266 -36.977 -13.203 7.165 1.00 0.00 WAT +ATOM 34108 H2 TIP3 9266 -35.606 -13.286 6.505 1.00 0.00 WAT +ATOM 34109 OH2 TIP3 9267 -28.319 -21.037 3.070 1.00 0.00 WAT +ATOM 34110 H1 TIP3 9267 -28.642 -21.644 3.747 1.00 0.00 WAT +ATOM 34111 H2 TIP3 9267 -27.683 -20.500 3.572 1.00 0.00 WAT +ATOM 34112 OH2 TIP3 9268 -39.589 -19.649 4.751 1.00 0.00 WAT +ATOM 34113 H1 TIP3 9268 -38.935 -19.086 5.223 1.00 0.00 WAT +ATOM 34114 H2 TIP3 9268 -39.010 -20.024 4.049 1.00 0.00 WAT +ATOM 34115 OH2 TIP3 9269 -38.294 -11.974 7.686 1.00 0.00 WAT +ATOM 34116 H1 TIP3 9269 -38.270 -11.092 7.274 1.00 0.00 WAT +ATOM 34117 H2 TIP3 9269 -39.176 -11.958 8.090 1.00 0.00 WAT +ATOM 34118 OH2 TIP3 9270 -41.853 -12.374 -1.465 1.00 0.00 WAT +ATOM 34119 H1 TIP3 9270 -42.676 -12.174 -1.949 1.00 0.00 WAT +ATOM 34120 H2 TIP3 9270 -41.864 -11.707 -0.749 1.00 0.00 WAT +ATOM 34121 OH2 TIP3 9271 -28.154 -21.978 6.828 1.00 0.00 WAT +ATOM 34122 H1 TIP3 9271 -28.915 -21.556 6.387 1.00 0.00 WAT +ATOM 34123 H2 TIP3 9271 -27.414 -21.742 6.237 1.00 0.00 WAT +ATOM 34124 OH2 TIP3 9272 -35.062 -24.234 3.889 1.00 0.00 WAT +ATOM 34125 H1 TIP3 9272 -35.273 -25.185 3.856 1.00 0.00 WAT +ATOM 34126 H2 TIP3 9272 -35.878 -23.862 4.285 1.00 0.00 WAT +ATOM 34127 OH2 TIP3 9273 -28.647 -10.868 0.290 1.00 0.00 WAT +ATOM 34128 H1 TIP3 9273 -29.362 -11.390 -0.082 1.00 0.00 WAT +ATOM 34129 H2 TIP3 9273 -28.786 -11.015 1.238 1.00 0.00 WAT +ATOM 34130 OH2 TIP3 9274 -33.196 -14.812 -1.534 1.00 0.00 WAT +ATOM 34131 H1 TIP3 9274 -33.688 -15.073 -2.309 1.00 0.00 WAT +ATOM 34132 H2 TIP3 9274 -32.282 -15.008 -1.807 1.00 0.00 WAT +ATOM 34133 OH2 TIP3 9275 -32.767 -17.076 -4.222 1.00 0.00 WAT +ATOM 34134 H1 TIP3 9275 -32.025 -16.799 -3.651 1.00 0.00 WAT +ATOM 34135 H2 TIP3 9275 -32.302 -17.687 -4.815 1.00 0.00 WAT +ATOM 34136 OH2 TIP3 9276 -29.476 -15.344 -0.239 1.00 0.00 WAT +ATOM 34137 H1 TIP3 9276 -30.087 -15.080 0.486 1.00 0.00 WAT +ATOM 34138 H2 TIP3 9276 -28.796 -15.833 0.268 1.00 0.00 WAT +ATOM 34139 OH2 TIP3 9277 -29.579 -16.803 8.633 1.00 0.00 WAT +ATOM 34140 H1 TIP3 9277 -29.639 -16.099 9.296 1.00 0.00 WAT +ATOM 34141 H2 TIP3 9277 -30.096 -16.407 7.906 1.00 0.00 WAT +ATOM 34142 OH2 TIP3 9278 -37.910 -14.576 1.545 1.00 0.00 WAT +ATOM 34143 H1 TIP3 9278 -38.100 -15.015 0.694 1.00 0.00 WAT +ATOM 34144 H2 TIP3 9278 -37.189 -15.123 1.902 1.00 0.00 WAT +ATOM 34145 OH2 TIP3 9279 -36.679 -11.295 4.391 1.00 0.00 WAT +ATOM 34146 H1 TIP3 9279 -36.543 -11.321 3.435 1.00 0.00 WAT +ATOM 34147 H2 TIP3 9279 -35.762 -11.367 4.709 1.00 0.00 WAT +ATOM 34148 OH2 TIP3 9280 -37.286 -15.683 5.041 1.00 0.00 WAT +ATOM 34149 H1 TIP3 9280 -36.696 -15.652 4.264 1.00 0.00 WAT +ATOM 34150 H2 TIP3 9280 -36.875 -15.020 5.632 1.00 0.00 WAT +ATOM 34151 OH2 TIP3 9281 -36.471 -11.440 9.929 1.00 0.00 WAT +ATOM 34152 H1 TIP3 9281 -36.948 -10.695 10.329 1.00 0.00 WAT +ATOM 34153 H2 TIP3 9281 -37.041 -11.650 9.165 1.00 0.00 WAT +ATOM 34154 OH2 TIP3 9282 -30.651 -15.748 -2.731 1.00 0.00 WAT +ATOM 34155 H1 TIP3 9282 -30.107 -15.565 -1.932 1.00 0.00 WAT +ATOM 34156 H2 TIP3 9282 -30.092 -15.312 -3.422 1.00 0.00 WAT +ATOM 34157 OH2 TIP3 9283 -39.565 -15.064 9.058 1.00 0.00 WAT +ATOM 34158 H1 TIP3 9283 -39.463 -14.432 9.792 1.00 0.00 WAT +ATOM 34159 H2 TIP3 9283 -40.528 -15.063 8.926 1.00 0.00 WAT +ATOM 34160 OH2 TIP3 9284 -32.832 -9.165 0.817 1.00 0.00 WAT +ATOM 34161 H1 TIP3 9284 -32.268 -8.930 1.583 1.00 0.00 WAT +ATOM 34162 H2 TIP3 9284 -33.441 -8.413 0.787 1.00 0.00 WAT +ATOM 34163 OH2 TIP3 9285 -38.355 -9.192 10.731 1.00 0.00 WAT +ATOM 34164 H1 TIP3 9285 -38.380 -9.121 9.759 1.00 0.00 WAT +ATOM 34165 H2 TIP3 9285 -39.273 -9.416 10.957 1.00 0.00 WAT +ATOM 34166 OH2 TIP3 9286 -27.061 -24.081 -3.313 1.00 0.00 WAT +ATOM 34167 H1 TIP3 9286 -27.899 -23.997 -2.825 1.00 0.00 WAT +ATOM 34168 H2 TIP3 9286 -26.683 -23.193 -3.208 1.00 0.00 WAT +ATOM 34169 OH2 TIP3 9287 -38.713 -15.711 -0.962 1.00 0.00 WAT +ATOM 34170 H1 TIP3 9287 -39.046 -14.967 -1.484 1.00 0.00 WAT +ATOM 34171 H2 TIP3 9287 -39.335 -16.414 -1.185 1.00 0.00 WAT +ATOM 34172 OH2 TIP3 9288 -42.733 -12.965 7.620 1.00 0.00 WAT +ATOM 34173 H1 TIP3 9288 -42.876 -13.278 6.710 1.00 0.00 WAT +ATOM 34174 H2 TIP3 9288 -43.012 -13.739 8.133 1.00 0.00 WAT +ATOM 34175 OH2 TIP3 9289 -42.850 -10.232 4.623 1.00 0.00 WAT +ATOM 34176 H1 TIP3 9289 -41.949 -10.561 4.743 1.00 0.00 WAT +ATOM 34177 H2 TIP3 9289 -42.958 -9.650 5.384 1.00 0.00 WAT +ATOM 34178 OH2 TIP3 9290 -33.755 -10.402 9.379 1.00 0.00 WAT +ATOM 34179 H1 TIP3 9290 -33.720 -9.495 9.717 1.00 0.00 WAT +ATOM 34180 H2 TIP3 9290 -34.689 -10.638 9.515 1.00 0.00 WAT +ATOM 34181 OH2 TIP3 9291 -33.594 -6.501 -0.818 1.00 0.00 WAT +ATOM 34182 H1 TIP3 9291 -33.391 -6.318 -1.749 1.00 0.00 WAT +ATOM 34183 H2 TIP3 9291 -33.426 -5.652 -0.379 1.00 0.00 WAT +ATOM 34184 OH2 TIP3 9292 -39.794 -7.415 0.973 1.00 0.00 WAT +ATOM 34185 H1 TIP3 9292 -39.455 -7.766 1.819 1.00 0.00 WAT +ATOM 34186 H2 TIP3 9292 -40.590 -7.953 0.856 1.00 0.00 WAT +ATOM 34187 OH2 TIP3 9293 -30.147 -7.131 -3.558 1.00 0.00 WAT +ATOM 34188 H1 TIP3 9293 -29.704 -7.896 -3.946 1.00 0.00 WAT +ATOM 34189 H2 TIP3 9293 -30.129 -7.362 -2.603 1.00 0.00 WAT +ATOM 34190 OH2 TIP3 9294 -30.657 -7.586 -0.700 1.00 0.00 WAT +ATOM 34191 H1 TIP3 9294 -31.588 -7.572 -0.425 1.00 0.00 WAT +ATOM 34192 H2 TIP3 9294 -30.286 -8.099 0.044 1.00 0.00 WAT +ATOM 34193 OH2 TIP3 9295 -27.981 -18.331 10.980 1.00 0.00 WAT +ATOM 34194 H1 TIP3 9295 -28.169 -17.868 10.157 1.00 0.00 WAT +ATOM 34195 H2 TIP3 9295 -27.703 -19.213 10.660 1.00 0.00 WAT +ATOM 34196 OH2 TIP3 9296 -40.765 -11.537 9.169 1.00 0.00 WAT +ATOM 34197 H1 TIP3 9296 -40.397 -12.168 9.814 1.00 0.00 WAT +ATOM 34198 H2 TIP3 9296 -41.471 -12.042 8.716 1.00 0.00 WAT +ATOM 34199 OH2 TIP3 9297 -37.488 -23.098 4.831 1.00 0.00 WAT +ATOM 34200 H1 TIP3 9297 -38.312 -23.167 4.317 1.00 0.00 WAT +ATOM 34201 H2 TIP3 9297 -37.704 -22.350 5.409 1.00 0.00 WAT +ATOM 34202 OH2 TIP3 9298 -33.114 -23.505 8.488 1.00 0.00 WAT +ATOM 34203 H1 TIP3 9298 -32.575 -24.038 9.106 1.00 0.00 WAT +ATOM 34204 H2 TIP3 9298 -34.010 -23.872 8.602 1.00 0.00 WAT +ATOM 34205 OH2 TIP3 9299 -29.992 -19.746 8.887 1.00 0.00 WAT +ATOM 34206 H1 TIP3 9299 -30.479 -19.859 9.722 1.00 0.00 WAT +ATOM 34207 H2 TIP3 9299 -29.936 -18.779 8.787 1.00 0.00 WAT +ATOM 34208 OH2 TIP3 9300 -29.004 -14.788 -4.760 1.00 0.00 WAT +ATOM 34209 H1 TIP3 9300 -29.142 -15.019 -5.691 1.00 0.00 WAT +ATOM 34210 H2 TIP3 9300 -28.048 -14.581 -4.772 1.00 0.00 WAT +ATOM 34211 OH2 TIP3 9301 -33.349 -20.950 -4.268 1.00 0.00 WAT +ATOM 34212 H1 TIP3 9301 -33.773 -21.155 -3.422 1.00 0.00 WAT +ATOM 34213 H2 TIP3 9301 -33.688 -21.674 -4.822 1.00 0.00 WAT +ATOM 34214 OH2 TIP3 9302 -37.657 -18.290 6.196 1.00 0.00 WAT +ATOM 34215 H1 TIP3 9302 -38.147 -18.144 7.019 1.00 0.00 WAT +ATOM 34216 H2 TIP3 9302 -37.521 -17.376 5.866 1.00 0.00 WAT +ATOM 34217 OH2 TIP3 9303 -37.725 -18.223 1.102 1.00 0.00 WAT +ATOM 34218 H1 TIP3 9303 -38.676 -18.354 0.922 1.00 0.00 WAT +ATOM 34219 H2 TIP3 9303 -37.346 -18.398 0.221 1.00 0.00 WAT +ATOM 34220 OH2 TIP3 9304 -32.143 -17.584 -0.185 1.00 0.00 WAT +ATOM 34221 H1 TIP3 9304 -32.541 -16.769 -0.516 1.00 0.00 WAT +ATOM 34222 H2 TIP3 9304 -31.381 -17.703 -0.778 1.00 0.00 WAT +ATOM 34223 OH2 TIP3 9305 -32.881 -17.427 11.297 1.00 0.00 WAT +ATOM 34224 H1 TIP3 9305 -33.385 -18.215 11.587 1.00 0.00 WAT +ATOM 34225 H2 TIP3 9305 -31.996 -17.617 11.655 1.00 0.00 WAT +ATOM 34226 OH2 TIP3 9306 -31.273 -18.274 2.657 1.00 0.00 WAT +ATOM 34227 H1 TIP3 9306 -31.491 -17.657 1.933 1.00 0.00 WAT +ATOM 34228 H2 TIP3 9306 -30.995 -19.053 2.132 1.00 0.00 WAT +ATOM 34229 OH2 TIP3 9307 -40.357 -18.107 8.107 1.00 0.00 WAT +ATOM 34230 H1 TIP3 9307 -39.895 -17.766 8.883 1.00 0.00 WAT +ATOM 34231 H2 TIP3 9307 -40.504 -19.037 8.351 1.00 0.00 WAT +ATOM 34232 OH2 TIP3 9308 -36.896 -20.407 -5.292 1.00 0.00 WAT +ATOM 34233 H1 TIP3 9308 -37.241 -20.882 -4.510 1.00 0.00 WAT +ATOM 34234 H2 TIP3 9308 -37.650 -20.406 -5.893 1.00 0.00 WAT +ATOM 34235 OH2 TIP3 9309 -43.271 -20.511 1.665 1.00 0.00 WAT +ATOM 34236 H1 TIP3 9309 -43.077 -20.723 2.599 1.00 0.00 WAT +ATOM 34237 H2 TIP3 9309 -42.805 -21.223 1.215 1.00 0.00 WAT +ATOM 34238 OH2 TIP3 9310 -41.986 -20.182 -2.424 1.00 0.00 WAT +ATOM 34239 H1 TIP3 9310 -41.462 -19.902 -3.197 1.00 0.00 WAT +ATOM 34240 H2 TIP3 9310 -42.827 -19.738 -2.609 1.00 0.00 WAT +ATOM 34241 OH2 TIP3 9311 -32.205 -16.616 7.124 1.00 0.00 WAT +ATOM 34242 H1 TIP3 9311 -31.677 -17.274 6.619 1.00 0.00 WAT +ATOM 34243 H2 TIP3 9311 -32.400 -17.106 7.930 1.00 0.00 WAT +ATOM 34244 OH2 TIP3 9312 -34.918 -20.634 2.130 1.00 0.00 WAT +ATOM 34245 H1 TIP3 9312 -35.845 -20.694 2.409 1.00 0.00 WAT +ATOM 34246 H2 TIP3 9312 -34.452 -20.790 2.970 1.00 0.00 WAT +ATOM 34247 OH2 TIP3 9313 -40.362 -19.339 0.719 1.00 0.00 WAT +ATOM 34248 H1 TIP3 9313 -41.272 -19.323 0.399 1.00 0.00 WAT +ATOM 34249 H2 TIP3 9313 -40.031 -20.194 0.381 1.00 0.00 WAT +ATOM 34250 OH2 TIP3 9314 -36.725 -19.084 -1.510 1.00 0.00 WAT +ATOM 34251 H1 TIP3 9314 -35.756 -19.034 -1.401 1.00 0.00 WAT +ATOM 34252 H2 TIP3 9314 -36.925 -18.399 -2.166 1.00 0.00 WAT +ATOM 34253 OH2 TIP3 9315 -30.519 -21.493 5.179 1.00 0.00 WAT +ATOM 34254 H1 TIP3 9315 -31.169 -21.484 5.914 1.00 0.00 WAT +ATOM 34255 H2 TIP3 9315 -31.082 -21.814 4.456 1.00 0.00 WAT +ATOM 34256 OH2 TIP3 9316 -38.346 -17.719 -3.739 1.00 0.00 WAT +ATOM 34257 H1 TIP3 9316 -38.820 -18.151 -4.468 1.00 0.00 WAT +ATOM 34258 H2 TIP3 9316 -37.488 -17.542 -4.139 1.00 0.00 WAT +ATOM 34259 OH2 TIP3 9317 -27.521 -5.546 11.652 1.00 0.00 WAT +ATOM 34260 H1 TIP3 9317 -27.220 -5.210 10.796 1.00 0.00 WAT +ATOM 34261 H2 TIP3 9317 -26.721 -5.470 12.194 1.00 0.00 WAT +ATOM 34262 OH2 TIP3 9318 -39.564 -13.135 11.251 1.00 0.00 WAT +ATOM 34263 H1 TIP3 9318 -38.895 -13.077 11.966 1.00 0.00 WAT +ATOM 34264 H2 TIP3 9318 -40.375 -12.972 11.775 1.00 0.00 WAT +ATOM 34265 OH2 TIP3 9319 -33.925 -18.100 3.934 1.00 0.00 WAT +ATOM 34266 H1 TIP3 9319 -33.115 -18.431 3.514 1.00 0.00 WAT +ATOM 34267 H2 TIP3 9319 -34.005 -18.686 4.709 1.00 0.00 WAT +ATOM 34268 OH2 TIP3 9320 -38.733 -21.720 0.210 1.00 0.00 WAT +ATOM 34269 H1 TIP3 9320 -39.144 -22.593 0.260 1.00 0.00 WAT +ATOM 34270 H2 TIP3 9320 -37.905 -21.924 -0.249 1.00 0.00 WAT +ATOM 34271 OH2 TIP3 9321 -34.951 -19.676 6.228 1.00 0.00 WAT +ATOM 34272 H1 TIP3 9321 -35.667 -19.024 6.219 1.00 0.00 WAT +ATOM 34273 H2 TIP3 9321 -34.418 -19.408 7.004 1.00 0.00 WAT +ATOM 34274 OH2 TIP3 9322 -30.624 -20.415 -4.100 1.00 0.00 WAT +ATOM 34275 H1 TIP3 9322 -31.604 -20.397 -4.137 1.00 0.00 WAT +ATOM 34276 H2 TIP3 9322 -30.404 -19.679 -3.493 1.00 0.00 WAT +ATOM 34277 OH2 TIP3 9323 -33.211 -13.319 9.392 1.00 0.00 WAT +ATOM 34278 H1 TIP3 9323 -33.407 -13.499 10.313 1.00 0.00 WAT +ATOM 34279 H2 TIP3 9323 -33.284 -12.352 9.338 1.00 0.00 WAT +ATOM 34280 OH2 TIP3 9324 -29.959 -18.550 -2.084 1.00 0.00 WAT +ATOM 34281 H1 TIP3 9324 -29.119 -18.757 -1.625 1.00 0.00 WAT +ATOM 34282 H2 TIP3 9324 -29.749 -17.704 -2.511 1.00 0.00 WAT +ATOM 34283 OH2 TIP3 9325 -39.791 -13.956 3.799 1.00 0.00 WAT +ATOM 34284 H1 TIP3 9325 -39.088 -13.966 3.124 1.00 0.00 WAT +ATOM 34285 H2 TIP3 9325 -39.562 -14.735 4.329 1.00 0.00 WAT +ATOM 34286 OH2 TIP3 9326 -32.668 -12.019 -3.049 1.00 0.00 WAT +ATOM 34287 H1 TIP3 9326 -32.807 -11.113 -2.690 1.00 0.00 WAT +ATOM 34288 H2 TIP3 9326 -33.007 -12.577 -2.342 1.00 0.00 WAT +ATOM 34289 OH2 TIP3 9327 -42.453 -15.387 9.487 1.00 0.00 WAT +ATOM 34290 H1 TIP3 9327 -42.276 -16.058 10.170 1.00 0.00 WAT +ATOM 34291 H2 TIP3 9327 -42.889 -15.922 8.785 1.00 0.00 WAT +ATOM 34292 OH2 TIP3 9328 -35.417 -16.102 11.178 1.00 0.00 WAT +ATOM 34293 H1 TIP3 9328 -35.713 -16.292 10.272 1.00 0.00 WAT +ATOM 34294 H2 TIP3 9328 -34.476 -16.350 11.107 1.00 0.00 WAT +ATOM 34295 OH2 TIP3 9329 -30.716 -10.903 9.222 1.00 0.00 WAT +ATOM 34296 H1 TIP3 9329 -31.450 -10.573 8.689 1.00 0.00 WAT +ATOM 34297 H2 TIP3 9329 -30.661 -10.271 9.939 1.00 0.00 WAT +ATOM 34298 OH2 TIP3 9330 -25.587 -18.418 -2.139 1.00 0.00 WAT +ATOM 34299 H1 TIP3 9330 -25.970 -18.685 -2.991 1.00 0.00 WAT +ATOM 34300 H2 TIP3 9330 -25.430 -17.468 -2.312 1.00 0.00 WAT +ATOM 34301 OH2 TIP3 9331 -27.198 -10.091 -2.647 1.00 0.00 WAT +ATOM 34302 H1 TIP3 9331 -27.381 -10.434 -1.754 1.00 0.00 WAT +ATOM 34303 H2 TIP3 9331 -26.261 -10.269 -2.755 1.00 0.00 WAT +ATOM 34304 OH2 TIP3 9332 -29.810 -14.739 5.539 1.00 0.00 WAT +ATOM 34305 H1 TIP3 9332 -30.676 -14.814 5.109 1.00 0.00 WAT +ATOM 34306 H2 TIP3 9332 -29.241 -15.271 4.960 1.00 0.00 WAT +ATOM 34307 OH2 TIP3 9333 -37.282 -10.574 1.170 1.00 0.00 WAT +ATOM 34308 H1 TIP3 9333 -36.787 -9.741 1.176 1.00 0.00 WAT +ATOM 34309 H2 TIP3 9333 -38.173 -10.270 0.967 1.00 0.00 WAT +ATOM 34310 OH2 TIP3 9334 -41.540 -15.620 -4.076 1.00 0.00 WAT +ATOM 34311 H1 TIP3 9334 -40.863 -15.030 -3.703 1.00 0.00 WAT +ATOM 34312 H2 TIP3 9334 -42.351 -15.125 -3.888 1.00 0.00 WAT +ATOM 34313 OH2 TIP3 9335 -35.551 -12.878 0.276 1.00 0.00 WAT +ATOM 34314 H1 TIP3 9335 -35.619 -11.984 0.648 1.00 0.00 WAT +ATOM 34315 H2 TIP3 9335 -35.981 -13.385 0.976 1.00 0.00 WAT +ATOM 34316 OH2 TIP3 9336 -35.275 -8.580 7.296 1.00 0.00 WAT +ATOM 34317 H1 TIP3 9336 -34.963 -8.039 6.557 1.00 0.00 WAT +ATOM 34318 H2 TIP3 9336 -34.481 -9.078 7.526 1.00 0.00 WAT +ATOM 34319 OH2 TIP3 9337 -36.847 -7.683 0.158 1.00 0.00 WAT +ATOM 34320 H1 TIP3 9337 -37.738 -7.487 0.477 1.00 0.00 WAT +ATOM 34321 H2 TIP3 9337 -36.310 -7.169 0.792 1.00 0.00 WAT +ATOM 34322 OH2 TIP3 9338 -31.845 -12.854 6.619 1.00 0.00 WAT +ATOM 34323 H1 TIP3 9338 -31.911 -12.832 7.583 1.00 0.00 WAT +ATOM 34324 H2 TIP3 9338 -30.957 -13.221 6.483 1.00 0.00 WAT +ATOM 34325 OH2 TIP3 9339 -29.699 -11.597 -4.263 1.00 0.00 WAT +ATOM 34326 H1 TIP3 9339 -29.226 -11.988 -3.501 1.00 0.00 WAT +ATOM 34327 H2 TIP3 9339 -30.606 -11.820 -4.020 1.00 0.00 WAT +ATOM 34328 OH2 TIP3 9340 -41.008 -20.842 8.837 1.00 0.00 WAT +ATOM 34329 H1 TIP3 9340 -41.875 -20.449 8.644 1.00 0.00 WAT +ATOM 34330 H2 TIP3 9340 -41.217 -21.696 9.257 1.00 0.00 WAT +ATOM 34331 OH2 TIP3 9341 -28.608 -12.947 -1.976 1.00 0.00 WAT +ATOM 34332 H1 TIP3 9341 -28.869 -13.603 -1.311 1.00 0.00 WAT +ATOM 34333 H2 TIP3 9341 -27.677 -12.799 -1.747 1.00 0.00 WAT +ATOM 34334 OH2 TIP3 9342 -41.339 -9.125 7.283 1.00 0.00 WAT +ATOM 34335 H1 TIP3 9342 -41.053 -10.046 7.322 1.00 0.00 WAT +ATOM 34336 H2 TIP3 9342 -40.903 -8.768 8.065 1.00 0.00 WAT +ATOM 34337 OH2 TIP3 9343 -35.584 -10.533 -5.633 1.00 0.00 WAT +ATOM 34338 H1 TIP3 9343 -35.176 -11.251 -6.149 1.00 0.00 WAT +ATOM 34339 H2 TIP3 9343 -35.581 -10.885 -4.741 1.00 0.00 WAT +ATOM 34340 OH2 TIP3 9344 -39.779 -13.479 -2.735 1.00 0.00 WAT +ATOM 34341 H1 TIP3 9344 -40.536 -13.205 -2.162 1.00 0.00 WAT +ATOM 34342 H2 TIP3 9344 -39.453 -12.585 -2.959 1.00 0.00 WAT +ATOM 34343 OH2 TIP3 9345 -32.130 -21.080 7.362 1.00 0.00 WAT +ATOM 34344 H1 TIP3 9345 -31.465 -20.791 8.009 1.00 0.00 WAT +ATOM 34345 H2 TIP3 9345 -32.573 -21.825 7.812 1.00 0.00 WAT +ATOM 34346 OH2 TIP3 9346 -31.494 -21.603 -1.392 1.00 0.00 WAT +ATOM 34347 H1 TIP3 9346 -31.227 -21.104 -2.180 1.00 0.00 WAT +ATOM 34348 H2 TIP3 9346 -30.993 -21.152 -0.691 1.00 0.00 WAT +ATOM 34349 OH2 TIP3 9347 -33.708 -9.488 -2.603 1.00 0.00 WAT +ATOM 34350 H1 TIP3 9347 -34.380 -8.973 -2.126 1.00 0.00 WAT +ATOM 34351 H2 TIP3 9347 -33.154 -8.781 -2.956 1.00 0.00 WAT +ATOM 34352 OH2 TIP3 9348 -34.085 -19.598 -0.438 1.00 0.00 WAT +ATOM 34353 H1 TIP3 9348 -33.289 -19.040 -0.305 1.00 0.00 WAT +ATOM 34354 H2 TIP3 9348 -34.321 -19.816 0.485 1.00 0.00 WAT +ATOM 34355 OH2 TIP3 9349 -33.755 -18.787 8.755 1.00 0.00 WAT +ATOM 34356 H1 TIP3 9349 -33.622 -18.220 9.529 1.00 0.00 WAT +ATOM 34357 H2 TIP3 9349 -33.129 -19.506 8.918 1.00 0.00 WAT +ATOM 34358 OH2 TIP3 9350 -33.481 -22.631 0.481 1.00 0.00 WAT +ATOM 34359 H1 TIP3 9350 -33.642 -21.971 1.182 1.00 0.00 WAT +ATOM 34360 H2 TIP3 9350 -32.721 -22.228 0.013 1.00 0.00 WAT +ATOM 34361 OH2 TIP3 9351 -36.689 -8.547 -2.586 1.00 0.00 WAT +ATOM 34362 H1 TIP3 9351 -36.566 -7.696 -3.047 1.00 0.00 WAT +ATOM 34363 H2 TIP3 9351 -36.690 -8.255 -1.651 1.00 0.00 WAT +ATOM 34364 OH2 TIP3 9352 -37.736 -21.626 -2.916 1.00 0.00 WAT +ATOM 34365 H1 TIP3 9352 -37.637 -20.825 -2.372 1.00 0.00 WAT +ATOM 34366 H2 TIP3 9352 -36.924 -22.116 -2.670 1.00 0.00 WAT +ATOM 34367 OH2 TIP3 9353 -27.446 -20.723 9.645 1.00 0.00 WAT +ATOM 34368 H1 TIP3 9353 -28.376 -20.643 9.358 1.00 0.00 WAT +ATOM 34369 H2 TIP3 9353 -27.022 -20.871 8.784 1.00 0.00 WAT +ATOM 34370 OH2 TIP3 9354 -28.858 -16.914 3.630 1.00 0.00 WAT +ATOM 34371 H1 TIP3 9354 -29.677 -17.378 3.397 1.00 0.00 WAT +ATOM 34372 H2 TIP3 9354 -28.335 -17.607 4.087 1.00 0.00 WAT +ATOM 34373 OH2 TIP3 9355 -39.048 -10.835 -3.689 1.00 0.00 WAT +ATOM 34374 H1 TIP3 9355 -38.532 -10.048 -3.434 1.00 0.00 WAT +ATOM 34375 H2 TIP3 9355 -38.620 -11.083 -4.514 1.00 0.00 WAT +ATOM 34376 OH2 TIP3 9356 -41.138 -18.588 -4.739 1.00 0.00 WAT +ATOM 34377 H1 TIP3 9356 -41.118 -17.645 -4.513 1.00 0.00 WAT +ATOM 34378 H2 TIP3 9356 -41.963 -18.697 -5.223 1.00 0.00 WAT +ATOM 34379 OH2 TIP3 9357 -40.302 -23.593 3.984 1.00 0.00 WAT +ATOM 34380 H1 TIP3 9357 -40.579 -23.644 3.052 1.00 0.00 WAT +ATOM 34381 H2 TIP3 9357 -40.677 -24.419 4.353 1.00 0.00 WAT +ATOM 34382 OH2 TIP3 9358 -41.412 -10.036 0.215 1.00 0.00 WAT +ATOM 34383 H1 TIP3 9358 -42.265 -9.585 0.297 1.00 0.00 WAT +ATOM 34384 H2 TIP3 9358 -40.988 -9.538 -0.495 1.00 0.00 WAT +ATOM 34385 OH2 TIP3 9359 -42.148 -7.186 11.485 1.00 0.00 WAT +ATOM 34386 H1 TIP3 9359 -41.512 -7.196 12.223 1.00 0.00 WAT +ATOM 34387 H2 TIP3 9359 -42.136 -8.142 11.300 1.00 0.00 WAT +ATOM 34388 OH2 TIP3 9360 -37.217 -8.060 13.251 1.00 0.00 WAT +ATOM 34389 H1 TIP3 9360 -36.551 -8.753 13.390 1.00 0.00 WAT +ATOM 34390 H2 TIP3 9360 -37.493 -8.271 12.342 1.00 0.00 WAT +ATOM 34391 OH2 TIP3 9361 -33.088 -8.828 -5.503 1.00 0.00 WAT +ATOM 34392 H1 TIP3 9361 -33.899 -9.336 -5.329 1.00 0.00 WAT +ATOM 34393 H2 TIP3 9361 -32.478 -9.561 -5.691 1.00 0.00 WAT +ATOM 34394 OH2 TIP3 9362 -30.735 -9.574 12.140 1.00 0.00 WAT +ATOM 34395 H1 TIP3 9362 -31.081 -10.482 12.166 1.00 0.00 WAT +ATOM 34396 H2 TIP3 9362 -29.820 -9.712 12.423 1.00 0.00 WAT +ATOM 34397 OH2 TIP3 9363 -28.769 -9.095 -5.664 1.00 0.00 WAT +ATOM 34398 H1 TIP3 9363 -28.637 -9.640 -4.867 1.00 0.00 WAT +ATOM 34399 H2 TIP3 9363 -27.899 -8.674 -5.784 1.00 0.00 WAT +ATOM 34400 OH2 TIP3 9364 -42.026 -13.158 12.166 1.00 0.00 WAT +ATOM 34401 H1 TIP3 9364 -41.854 -14.013 11.742 1.00 0.00 WAT +ATOM 34402 H2 TIP3 9364 -42.826 -12.856 11.713 1.00 0.00 WAT +ATOM 34403 OH2 TIP3 9365 -37.378 -13.274 -4.928 1.00 0.00 WAT +ATOM 34404 H1 TIP3 9365 -37.916 -14.060 -5.103 1.00 0.00 WAT +ATOM 34405 H2 TIP3 9365 -36.901 -13.165 -5.785 1.00 0.00 WAT +ATOM 34406 OH2 TIP3 9366 -35.423 -13.309 11.911 1.00 0.00 WAT +ATOM 34407 H1 TIP3 9366 -35.642 -12.942 11.035 1.00 0.00 WAT +ATOM 34408 H2 TIP3 9366 -35.300 -14.260 11.717 1.00 0.00 WAT +ATOM 34409 OH2 TIP3 9367 -32.651 -11.704 -5.852 1.00 0.00 WAT +ATOM 34410 H1 TIP3 9367 -32.539 -11.758 -4.887 1.00 0.00 WAT +ATOM 34411 H2 TIP3 9367 -32.528 -12.645 -6.090 1.00 0.00 WAT +ATOM 34412 OH2 TIP3 9368 -41.365 -16.469 11.867 1.00 0.00 WAT +ATOM 34413 H1 TIP3 9368 -40.547 -16.985 11.725 1.00 0.00 WAT +ATOM 34414 H2 TIP3 9368 -41.213 -16.137 12.764 1.00 0.00 WAT +ATOM 34415 OH2 TIP3 9369 -37.552 -17.237 9.090 1.00 0.00 WAT +ATOM 34416 H1 TIP3 9369 -38.032 -16.419 9.317 1.00 0.00 WAT +ATOM 34417 H2 TIP3 9369 -36.820 -16.886 8.546 1.00 0.00 WAT +ATOM 34418 OH2 TIP3 9370 -35.633 -16.389 -4.608 1.00 0.00 WAT +ATOM 34419 H1 TIP3 9370 -35.820 -16.602 -5.540 1.00 0.00 WAT +ATOM 34420 H2 TIP3 9370 -34.726 -16.745 -4.524 1.00 0.00 WAT +ATOM 34421 OH2 TIP3 9371 -32.145 -14.497 12.757 1.00 0.00 WAT +ATOM 34422 H1 TIP3 9371 -31.288 -14.659 12.342 1.00 0.00 WAT +ATOM 34423 H2 TIP3 9371 -32.397 -15.382 13.055 1.00 0.00 WAT +ATOM 34424 OH2 TIP3 9372 -26.383 -14.434 -5.567 1.00 0.00 WAT +ATOM 34425 H1 TIP3 9372 -26.385 -14.815 -6.463 1.00 0.00 WAT +ATOM 34426 H2 TIP3 9372 -25.994 -13.565 -5.744 1.00 0.00 WAT +ATOM 34427 OH2 TIP3 9373 -36.951 -19.950 10.306 1.00 0.00 WAT +ATOM 34428 H1 TIP3 9373 -36.820 -20.600 9.588 1.00 0.00 WAT +ATOM 34429 H2 TIP3 9373 -37.087 -19.134 9.796 1.00 0.00 WAT +ATOM 34430 OH2 TIP3 9374 -36.573 -21.456 7.762 1.00 0.00 WAT +ATOM 34431 H1 TIP3 9374 -36.024 -20.944 7.132 1.00 0.00 WAT +ATOM 34432 H2 TIP3 9374 -37.465 -21.420 7.362 1.00 0.00 WAT +ATOM 34433 OH2 TIP3 9375 -35.042 -16.040 8.149 1.00 0.00 WAT +ATOM 34434 H1 TIP3 9375 -34.174 -16.115 7.713 1.00 0.00 WAT +ATOM 34435 H2 TIP3 9375 -35.309 -15.149 7.843 1.00 0.00 WAT +ATOM 34436 OH2 TIP3 9376 -30.405 -18.038 12.988 1.00 0.00 WAT +ATOM 34437 H1 TIP3 9376 -30.224 -18.988 12.955 1.00 0.00 WAT +ATOM 34438 H2 TIP3 9376 -29.506 -17.698 12.841 1.00 0.00 WAT +ATOM 34439 OH2 TIP3 9377 -29.183 -14.943 11.065 1.00 0.00 WAT +ATOM 34440 H1 TIP3 9377 -29.374 -14.216 10.452 1.00 0.00 WAT +ATOM 34441 H2 TIP3 9377 -28.271 -15.168 10.828 1.00 0.00 WAT +ATOM 34442 OH2 TIP3 9378 -38.826 -18.029 12.051 1.00 0.00 WAT +ATOM 34443 H1 TIP3 9378 -39.298 -18.881 12.060 1.00 0.00 WAT +ATOM 34444 H2 TIP3 9378 -37.983 -18.274 11.640 1.00 0.00 WAT +ATOM 34445 OH2 TIP3 9379 -35.871 -24.142 8.117 1.00 0.00 WAT +ATOM 34446 H1 TIP3 9379 -36.016 -23.189 7.935 1.00 0.00 WAT +ATOM 34447 H2 TIP3 9379 -36.562 -24.551 7.562 1.00 0.00 WAT +ATOM 34448 OH2 TIP3 9380 -34.593 -19.560 11.904 1.00 0.00 WAT +ATOM 34449 H1 TIP3 9380 -34.944 -19.785 12.783 1.00 0.00 WAT +ATOM 34450 H2 TIP3 9380 -35.376 -19.758 11.351 1.00 0.00 WAT +ATOM 34451 OH2 TIP3 9381 -32.041 -20.496 10.785 1.00 0.00 WAT +ATOM 34452 H1 TIP3 9381 -32.931 -20.496 11.179 1.00 0.00 WAT +ATOM 34453 H2 TIP3 9381 -31.572 -21.154 11.335 1.00 0.00 WAT +ATOM 34454 OH2 TIP3 9382 -30.260 -22.025 12.475 1.00 0.00 WAT +ATOM 34455 H1 TIP3 9382 -30.348 -22.986 12.636 1.00 0.00 WAT +ATOM 34456 H2 TIP3 9382 -30.367 -21.637 13.361 1.00 0.00 WAT +ATOM 34457 OH2 TIP3 9383 -40.191 -20.588 11.915 1.00 0.00 WAT +ATOM 34458 H1 TIP3 9383 -40.143 -21.319 11.278 1.00 0.00 WAT +ATOM 34459 H2 TIP3 9383 -40.316 -21.064 12.758 1.00 0.00 WAT +ATOM 34460 OH2 TIP3 9384 -36.007 -24.643 10.913 1.00 0.00 WAT +ATOM 34461 H1 TIP3 9384 -35.413 -25.410 10.965 1.00 0.00 WAT +ATOM 34462 H2 TIP3 9384 -36.033 -24.499 9.945 1.00 0.00 WAT +ATOM 34463 OH2 TIP3 9385 -35.078 -22.803 12.792 1.00 0.00 WAT +ATOM 34464 H1 TIP3 9385 -35.335 -23.386 12.047 1.00 0.00 WAT +ATOM 34465 H2 TIP3 9385 -35.757 -22.116 12.762 1.00 0.00 WAT +ATOM 34466 OH2 TIP3 9386 -36.007 -5.846 -3.769 1.00 0.00 WAT +ATOM 34467 H1 TIP3 9386 -35.089 -5.677 -3.518 1.00 0.00 WAT +ATOM 34468 H2 TIP3 9386 -36.087 -5.285 -4.550 1.00 0.00 WAT +ATOM 34469 OH2 TIP3 9387 -41.985 -10.936 -4.514 1.00 0.00 WAT +ATOM 34470 H1 TIP3 9387 -41.211 -11.004 -3.933 1.00 0.00 WAT +ATOM 34471 H2 TIP3 9387 -42.107 -11.840 -4.840 1.00 0.00 WAT +ATOM 34472 OH2 TIP3 9388 -42.738 -8.092 2.441 1.00 0.00 WAT +ATOM 34473 H1 TIP3 9388 -42.763 -8.962 2.873 1.00 0.00 WAT +ATOM 34474 H2 TIP3 9388 -42.396 -7.553 3.171 1.00 0.00 WAT +ATOM 34475 OH2 TIP3 9389 -25.486 -13.036 -1.599 1.00 0.00 WAT +ATOM 34476 H1 TIP3 9389 -24.696 -12.573 -1.289 1.00 0.00 WAT +ATOM 34477 H2 TIP3 9389 -25.668 -13.610 -0.837 1.00 0.00 WAT +ATOM 34478 OH2 TIP3 9390 -25.163 -15.232 0.478 1.00 0.00 WAT +ATOM 34479 H1 TIP3 9390 -25.914 -15.719 0.855 1.00 0.00 WAT +ATOM 34480 H2 TIP3 9390 -24.598 -15.070 1.266 1.00 0.00 WAT +ATOM 34481 OH2 TIP3 9391 -25.141 -15.589 -3.061 1.00 0.00 WAT +ATOM 34482 H1 TIP3 9391 -25.586 -15.251 -3.858 1.00 0.00 WAT +ATOM 34483 H2 TIP3 9391 -25.167 -14.805 -2.485 1.00 0.00 WAT +ATOM 34484 OH2 TIP3 9392 -27.094 -18.025 -4.857 1.00 0.00 WAT +ATOM 34485 H1 TIP3 9392 -26.569 -17.517 -5.491 1.00 0.00 WAT +ATOM 34486 H2 TIP3 9392 -27.121 -18.915 -5.257 1.00 0.00 WAT +ATOM 34487 OH2 TIP3 9393 -27.551 -16.963 1.167 1.00 0.00 WAT +ATOM 34488 H1 TIP3 9393 -27.515 -17.928 1.088 1.00 0.00 WAT +ATOM 34489 H2 TIP3 9393 -27.828 -16.842 2.098 1.00 0.00 WAT +ATOM 34490 OH2 TIP3 9394 -42.552 -14.506 5.178 1.00 0.00 WAT +ATOM 34491 H1 TIP3 9394 -42.199 -14.256 4.309 1.00 0.00 WAT +ATOM 34492 H2 TIP3 9394 -41.749 -14.905 5.582 1.00 0.00 WAT +ATOM 34493 OH2 TIP3 9395 -25.783 -16.652 11.451 1.00 0.00 WAT +ATOM 34494 H1 TIP3 9395 -26.163 -17.435 11.031 1.00 0.00 WAT +ATOM 34495 H2 TIP3 9395 -24.833 -16.712 11.214 1.00 0.00 WAT +ATOM 34496 OH2 TIP3 9396 -27.396 -20.784 -5.560 1.00 0.00 WAT +ATOM 34497 H1 TIP3 9396 -26.755 -21.240 -4.978 1.00 0.00 WAT +ATOM 34498 H2 TIP3 9396 -28.168 -21.364 -5.546 1.00 0.00 WAT +ATOM 34499 OH2 TIP3 9397 -27.714 -19.546 -0.522 1.00 0.00 WAT +ATOM 34500 H1 TIP3 9397 -27.378 -20.469 -0.499 1.00 0.00 WAT +ATOM 34501 H2 TIP3 9397 -26.933 -19.092 -0.897 1.00 0.00 WAT +ATOM 34502 OH2 TIP3 9398 -27.126 -18.748 4.782 1.00 0.00 WAT +ATOM 34503 H1 TIP3 9398 -26.185 -18.551 4.657 1.00 0.00 WAT +ATOM 34504 H2 TIP3 9398 -27.198 -18.711 5.751 1.00 0.00 WAT +ATOM 34505 OH2 TIP3 9399 -27.070 -17.893 7.599 1.00 0.00 WAT +ATOM 34506 H1 TIP3 9399 -27.949 -17.552 7.838 1.00 0.00 WAT +ATOM 34507 H2 TIP3 9399 -26.566 -17.082 7.444 1.00 0.00 WAT +ATOM 34508 OH2 TIP3 9400 -42.858 -19.549 11.264 1.00 0.00 WAT +ATOM 34509 H1 TIP3 9400 -41.952 -19.903 11.266 1.00 0.00 WAT +ATOM 34510 H2 TIP3 9400 -43.402 -20.327 11.447 1.00 0.00 WAT +ATOM 34511 OH2 TIP3 9401 -24.657 -24.052 12.926 1.00 0.00 WAT +ATOM 34512 H1 TIP3 9401 -24.232 -24.720 12.356 1.00 0.00 WAT +ATOM 34513 H2 TIP3 9401 -24.612 -23.258 12.355 1.00 0.00 WAT +ATOM 34514 OH2 TIP3 9402 -27.116 -22.289 -0.647 1.00 0.00 WAT +ATOM 34515 H1 TIP3 9402 -26.912 -22.626 0.246 1.00 0.00 WAT +ATOM 34516 H2 TIP3 9402 -27.914 -22.803 -0.879 1.00 0.00 WAT +ATOM 34517 OH2 TIP3 9403 -41.947 -20.992 4.379 1.00 0.00 WAT +ATOM 34518 H1 TIP3 9403 -41.596 -21.897 4.403 1.00 0.00 WAT +ATOM 34519 H2 TIP3 9403 -41.151 -20.467 4.585 1.00 0.00 WAT +ATOM 34520 OH2 TIP3 9404 -43.345 -18.377 5.269 1.00 0.00 WAT +ATOM 34521 H1 TIP3 9404 -42.882 -18.922 4.615 1.00 0.00 WAT +ATOM 34522 H2 TIP3 9404 -43.053 -17.496 5.005 1.00 0.00 WAT +ATOM 34523 OH2 TIP3 9405 -25.274 -21.984 11.206 1.00 0.00 WAT +ATOM 34524 H1 TIP3 9405 -26.144 -21.548 11.172 1.00 0.00 WAT +ATOM 34525 H2 TIP3 9405 -25.312 -22.509 10.387 1.00 0.00 WAT +ATOM 34526 OH2 TIP3 9406 -25.195 -21.730 -4.058 1.00 0.00 WAT +ATOM 34527 H1 TIP3 9406 -24.792 -22.542 -4.397 1.00 0.00 WAT +ATOM 34528 H2 TIP3 9406 -24.421 -21.200 -3.783 1.00 0.00 WAT +ATOM 34529 OH2 TIP3 9407 -43.163 -22.263 -1.180 1.00 0.00 WAT +ATOM 34530 H1 TIP3 9407 -43.983 -22.020 -1.639 1.00 0.00 WAT +ATOM 34531 H2 TIP3 9407 -42.540 -21.599 -1.560 1.00 0.00 WAT +ATOM 34532 OH2 TIP3 9408 -42.914 -23.258 7.152 1.00 0.00 WAT +ATOM 34533 H1 TIP3 9408 -43.593 -23.376 7.860 1.00 0.00 WAT +ATOM 34534 H2 TIP3 9408 -43.393 -22.844 6.421 1.00 0.00 WAT +ATOM 34535 OH2 TIP3 9409 -41.200 -9.749 11.839 1.00 0.00 WAT +ATOM 34536 H1 TIP3 9409 -41.639 -10.390 11.272 1.00 0.00 WAT +ATOM 34537 H2 TIP3 9409 -41.373 -10.118 12.735 1.00 0.00 WAT +ATOM 34538 OH2 TIP3 9410 -38.017 -9.071 7.739 1.00 0.00 WAT +ATOM 34539 H1 TIP3 9410 -38.292 -8.236 7.316 1.00 0.00 WAT +ATOM 34540 H2 TIP3 9410 -37.058 -9.020 7.527 1.00 0.00 WAT +ATOM 34541 OH2 TIP3 9411 -33.608 -7.702 10.799 1.00 0.00 WAT +ATOM 34542 H1 TIP3 9411 -33.312 -8.035 11.655 1.00 0.00 WAT +ATOM 34543 H2 TIP3 9411 -32.759 -7.393 10.412 1.00 0.00 WAT +ATOM 34544 OH2 TIP3 9412 -31.194 -6.740 9.964 1.00 0.00 WAT +ATOM 34545 H1 TIP3 9412 -30.472 -7.299 9.642 1.00 0.00 WAT +ATOM 34546 H2 TIP3 9412 -30.765 -6.227 10.663 1.00 0.00 WAT +ATOM 34547 OH2 TIP3 9413 -26.426 -23.775 9.194 1.00 0.00 WAT +ATOM 34548 H1 TIP3 9413 -27.188 -23.542 8.638 1.00 0.00 WAT +ATOM 34549 H2 TIP3 9413 -26.180 -24.656 8.838 1.00 0.00 WAT +ATOM 34550 OH2 TIP3 9414 -40.725 -6.063 7.985 1.00 0.00 WAT +ATOM 34551 H1 TIP3 9414 -41.385 -5.551 7.481 1.00 0.00 WAT +ATOM 34552 H2 TIP3 9414 -41.061 -5.981 8.882 1.00 0.00 WAT +ATOM 34553 OH2 TIP3 9415 -38.210 -6.375 6.659 1.00 0.00 WAT +ATOM 34554 H1 TIP3 9415 -39.073 -6.120 7.036 1.00 0.00 WAT +ATOM 34555 H2 TIP3 9415 -38.175 -5.881 5.829 1.00 0.00 WAT +ATOM 34556 OH2 TIP3 9416 -32.782 -6.078 6.079 1.00 0.00 WAT +ATOM 34557 H1 TIP3 9416 -33.445 -6.393 5.453 1.00 0.00 WAT +ATOM 34558 H2 TIP3 9416 -33.265 -5.870 6.874 1.00 0.00 WAT +ATOM 34559 OH2 TIP3 9417 -41.193 -7.375 4.899 1.00 0.00 WAT +ATOM 34560 H1 TIP3 9417 -41.270 -7.793 5.779 1.00 0.00 WAT +ATOM 34561 H2 TIP3 9417 -40.368 -7.781 4.568 1.00 0.00 WAT +ATOM 34562 OH2 TIP3 9418 -38.900 -8.509 3.572 1.00 0.00 WAT +ATOM 34563 H1 TIP3 9418 -38.957 -9.442 3.849 1.00 0.00 WAT +ATOM 34564 H2 TIP3 9418 -37.967 -8.288 3.777 1.00 0.00 WAT +ATOM 34565 OH2 TIP3 9419 -32.986 -22.265 3.599 1.00 0.00 WAT +ATOM 34566 H1 TIP3 9419 -33.662 -22.955 3.741 1.00 0.00 WAT +ATOM 34567 H2 TIP3 9419 -32.336 -22.732 3.047 1.00 0.00 WAT +ATOM 34568 OH2 TIP3 9420 -28.018 -24.236 4.084 1.00 0.00 WAT +ATOM 34569 H1 TIP3 9420 -27.239 -23.807 3.687 1.00 0.00 WAT +ATOM 34570 H2 TIP3 9420 -28.741 -23.917 3.524 1.00 0.00 WAT +ATOM 34571 OH2 TIP3 9421 -25.972 -23.152 1.899 1.00 0.00 WAT +ATOM 34572 H1 TIP3 9421 -25.212 -23.588 1.467 1.00 0.00 WAT +ATOM 34573 H2 TIP3 9421 -25.599 -22.253 2.028 1.00 0.00 WAT +ATOM 34574 OH2 TIP3 9422 -41.083 -23.690 1.163 1.00 0.00 WAT +ATOM 34575 H1 TIP3 9422 -41.800 -23.991 0.591 1.00 0.00 WAT +ATOM 34576 H2 TIP3 9422 -40.451 -24.427 1.063 1.00 0.00 WAT +ATOM 34577 OH2 TIP3 9423 -41.820 -24.081 -3.032 1.00 0.00 WAT +ATOM 34578 H1 TIP3 9423 -41.300 -23.417 -3.528 1.00 0.00 WAT +ATOM 34579 H2 TIP3 9423 -42.329 -23.514 -2.429 1.00 0.00 WAT +ATOM 34580 OH2 TIP3 9424 -36.175 -23.715 1.078 1.00 0.00 WAT +ATOM 34581 H1 TIP3 9424 -35.269 -23.413 0.891 1.00 0.00 WAT +ATOM 34582 H2 TIP3 9424 -36.134 -23.829 2.035 1.00 0.00 WAT +ATOM 34583 OH2 TIP3 9425 -30.608 -23.669 2.438 1.00 0.00 WAT +ATOM 34584 H1 TIP3 9425 -30.262 -23.839 1.551 1.00 0.00 WAT +ATOM 34585 H2 TIP3 9425 -30.920 -24.553 2.703 1.00 0.00 WAT +ATOM 34586 OH2 TIP3 9426 -29.459 -23.689 -1.514 1.00 0.00 WAT +ATOM 34587 H1 TIP3 9426 -30.280 -23.201 -1.704 1.00 0.00 WAT +ATOM 34588 H2 TIP3 9426 -29.794 -24.596 -1.407 1.00 0.00 WAT +ATOM 34589 OH2 TIP3 9427 -41.917 -8.072 -1.987 1.00 0.00 WAT +ATOM 34590 H1 TIP3 9427 -42.526 -8.194 -2.722 1.00 0.00 WAT +ATOM 34591 H2 TIP3 9427 -41.792 -7.114 -1.990 1.00 0.00 WAT +ATOM 34592 OH2 TIP3 9428 -40.058 -22.202 -4.488 1.00 0.00 WAT +ATOM 34593 H1 TIP3 9428 -39.483 -22.786 -5.012 1.00 0.00 WAT +ATOM 34594 H2 TIP3 9428 -39.436 -21.906 -3.794 1.00 0.00 WAT +ATOM 34595 OH2 TIP3 9429 -35.007 -22.044 -1.876 1.00 0.00 WAT +ATOM 34596 H1 TIP3 9429 -34.625 -22.636 -1.208 1.00 0.00 WAT +ATOM 34597 H2 TIP3 9429 -34.766 -21.185 -1.492 1.00 0.00 WAT +ATOM 34598 OH2 TIP3 9430 -32.895 -6.324 -3.681 1.00 0.00 WAT +ATOM 34599 H1 TIP3 9430 -31.920 -6.285 -3.711 1.00 0.00 WAT +ATOM 34600 H2 TIP3 9430 -33.072 -6.946 -4.402 1.00 0.00 WAT +ATOM 34601 OH2 TIP3 9431 -26.482 -7.268 -0.632 1.00 0.00 WAT +ATOM 34602 H1 TIP3 9431 -26.480 -8.041 -1.200 1.00 0.00 WAT +ATOM 34603 H2 TIP3 9431 -26.063 -6.579 -1.150 1.00 0.00 WAT +ATOM 34604 OH2 TIP3 9432 -40.798 -23.290 10.694 1.00 0.00 WAT +ATOM 34605 H1 TIP3 9432 -41.242 -24.060 11.087 1.00 0.00 WAT +ATOM 34606 H2 TIP3 9432 -39.877 -23.454 10.964 1.00 0.00 WAT +ATOM 34607 OH2 TIP3 9433 -38.440 -23.921 12.445 1.00 0.00 WAT +ATOM 34608 H1 TIP3 9433 -37.616 -24.266 12.043 1.00 0.00 WAT +ATOM 34609 H2 TIP3 9433 -38.770 -24.721 12.893 1.00 0.00 WAT +ATOM 34610 OH2 TIP3 9434 -40.160 -7.130 -4.999 1.00 0.00 WAT +ATOM 34611 H1 TIP3 9434 -40.398 -6.875 -4.097 1.00 0.00 WAT +ATOM 34612 H2 TIP3 9434 -39.346 -7.648 -4.864 1.00 0.00 WAT +ATOM 34613 OH2 TIP3 9435 -30.302 -24.823 12.625 1.00 0.00 WAT +ATOM 34614 H1 TIP3 9435 -30.247 -25.242 13.505 1.00 0.00 WAT +ATOM 34615 H2 TIP3 9435 -29.370 -24.863 12.337 1.00 0.00 WAT +ATOM 34616 OH2 TIP3 9436 -23.488 -17.758 0.282 1.00 0.00 WAT +ATOM 34617 H1 TIP3 9436 -23.975 -16.919 0.278 1.00 0.00 WAT +ATOM 34618 H2 TIP3 9436 -24.117 -18.364 -0.119 1.00 0.00 WAT +ATOM 34619 OH2 TIP3 9437 -23.055 -15.322 2.325 1.00 0.00 WAT +ATOM 34620 H1 TIP3 9437 -22.936 -15.983 3.025 1.00 0.00 WAT +ATOM 34621 H2 TIP3 9437 -22.237 -15.374 1.826 1.00 0.00 WAT +ATOM 34622 OH2 TIP3 9438 -6.608 -21.483 5.728 1.00 0.00 WAT +ATOM 34623 H1 TIP3 9438 -6.661 -20.800 6.415 1.00 0.00 WAT +ATOM 34624 H2 TIP3 9438 -6.217 -20.997 4.984 1.00 0.00 WAT +ATOM 34625 OH2 TIP3 9439 -11.658 -20.354 1.291 1.00 0.00 WAT +ATOM 34626 H1 TIP3 9439 -11.010 -20.914 1.745 1.00 0.00 WAT +ATOM 34627 H2 TIP3 9439 -11.242 -20.210 0.443 1.00 0.00 WAT +ATOM 34628 OH2 TIP3 9440 -22.883 -18.166 3.414 1.00 0.00 WAT +ATOM 34629 H1 TIP3 9440 -22.135 -18.025 4.006 1.00 0.00 WAT +ATOM 34630 H2 TIP3 9440 -22.524 -18.219 2.521 1.00 0.00 WAT +ATOM 34631 OH2 TIP3 9441 -6.418 -20.067 8.323 1.00 0.00 WAT +ATOM 34632 H1 TIP3 9441 -6.845 -19.236 8.050 1.00 0.00 WAT +ATOM 34633 H2 TIP3 9441 -6.252 -19.887 9.262 1.00 0.00 WAT +ATOM 34634 OH2 TIP3 9442 -20.445 -21.427 6.605 1.00 0.00 WAT +ATOM 34635 H1 TIP3 9442 -20.539 -20.638 6.067 1.00 0.00 WAT +ATOM 34636 H2 TIP3 9442 -20.922 -21.186 7.412 1.00 0.00 WAT +ATOM 34637 OH2 TIP3 9443 -9.236 -21.142 3.110 1.00 0.00 WAT +ATOM 34638 H1 TIP3 9443 -9.948 -21.483 3.673 1.00 0.00 WAT +ATOM 34639 H2 TIP3 9443 -8.895 -20.401 3.637 1.00 0.00 WAT +ATOM 34640 OH2 TIP3 9444 -9.386 -21.922 6.817 1.00 0.00 WAT +ATOM 34641 H1 TIP3 9444 -10.167 -21.554 6.356 1.00 0.00 WAT +ATOM 34642 H2 TIP3 9444 -8.685 -21.754 6.166 1.00 0.00 WAT +ATOM 34643 OH2 TIP3 9445 -16.161 -24.223 3.824 1.00 0.00 WAT +ATOM 34644 H1 TIP3 9445 -16.420 -25.151 3.730 1.00 0.00 WAT +ATOM 34645 H2 TIP3 9445 -16.996 -23.796 4.089 1.00 0.00 WAT +ATOM 34646 OH2 TIP3 9446 -18.698 -23.060 4.813 1.00 0.00 WAT +ATOM 34647 H1 TIP3 9446 -19.534 -23.126 4.320 1.00 0.00 WAT +ATOM 34648 H2 TIP3 9446 -18.885 -22.297 5.387 1.00 0.00 WAT +ATOM 34649 OH2 TIP3 9447 -14.366 -23.766 8.512 1.00 0.00 WAT +ATOM 34650 H1 TIP3 9447 -13.918 -24.242 9.232 1.00 0.00 WAT +ATOM 34651 H2 TIP3 9447 -15.314 -23.940 8.653 1.00 0.00 WAT +ATOM 34652 OH2 TIP3 9448 -12.504 -18.023 2.578 1.00 0.00 WAT +ATOM 34653 H1 TIP3 9448 -12.817 -17.660 1.754 1.00 0.00 WAT +ATOM 34654 H2 TIP3 9448 -12.517 -18.980 2.395 1.00 0.00 WAT +ATOM 34655 OH2 TIP3 9449 -24.511 -20.819 1.662 1.00 0.00 WAT +ATOM 34656 H1 TIP3 9449 -23.963 -20.567 2.424 1.00 0.00 WAT +ATOM 34657 H2 TIP3 9449 -23.851 -21.089 1.009 1.00 0.00 WAT +ATOM 34658 OH2 TIP3 9450 -23.291 -19.822 -2.783 1.00 0.00 WAT +ATOM 34659 H1 TIP3 9450 -22.631 -19.216 -3.155 1.00 0.00 WAT +ATOM 34660 H2 TIP3 9450 -23.922 -19.204 -2.372 1.00 0.00 WAT +ATOM 34661 OH2 TIP3 9451 -11.606 -21.451 4.937 1.00 0.00 WAT +ATOM 34662 H1 TIP3 9451 -12.176 -21.285 5.711 1.00 0.00 WAT +ATOM 34663 H2 TIP3 9451 -12.299 -21.582 4.262 1.00 0.00 WAT +ATOM 34664 OH2 TIP3 9452 -12.091 -10.684 9.479 1.00 0.00 WAT +ATOM 34665 H1 TIP3 9452 -12.729 -10.314 8.851 1.00 0.00 WAT +ATOM 34666 H2 TIP3 9452 -12.346 -10.344 10.331 1.00 0.00 WAT +ATOM 34667 OH2 TIP3 9453 -11.151 -14.804 4.987 1.00 0.00 WAT +ATOM 34668 H1 TIP3 9453 -11.840 -15.408 5.264 1.00 0.00 WAT +ATOM 34669 H2 TIP3 9453 -10.440 -15.384 4.677 1.00 0.00 WAT +ATOM 34670 OH2 TIP3 9454 -22.374 -15.732 -4.316 1.00 0.00 WAT +ATOM 34671 H1 TIP3 9454 -21.779 -15.159 -3.795 1.00 0.00 WAT +ATOM 34672 H2 TIP3 9454 -23.213 -15.604 -3.847 1.00 0.00 WAT +ATOM 34673 OH2 TIP3 9455 -12.251 -12.737 6.832 1.00 0.00 WAT +ATOM 34674 H1 TIP3 9455 -13.063 -13.008 7.248 1.00 0.00 WAT +ATOM 34675 H2 TIP3 9455 -11.791 -13.542 6.578 1.00 0.00 WAT +ATOM 34676 OH2 TIP3 9456 -22.156 -20.773 9.182 1.00 0.00 WAT +ATOM 34677 H1 TIP3 9456 -22.768 -20.332 8.574 1.00 0.00 WAT +ATOM 34678 H2 TIP3 9456 -22.379 -21.714 9.106 1.00 0.00 WAT +ATOM 34679 OH2 TIP3 9457 -21.095 -13.558 -2.690 1.00 0.00 WAT +ATOM 34680 H1 TIP3 9457 -21.600 -13.158 -1.978 1.00 0.00 WAT +ATOM 34681 H2 TIP3 9457 -20.395 -12.903 -2.819 1.00 0.00 WAT +ATOM 34682 OH2 TIP3 9458 -12.892 -21.516 7.585 1.00 0.00 WAT +ATOM 34683 H1 TIP3 9458 -12.795 -21.078 8.444 1.00 0.00 WAT +ATOM 34684 H2 TIP3 9458 -13.539 -22.208 7.809 1.00 0.00 WAT +ATOM 34685 OH2 TIP3 9459 -8.945 -20.708 9.716 1.00 0.00 WAT +ATOM 34686 H1 TIP3 9459 -9.843 -20.466 9.466 1.00 0.00 WAT +ATOM 34687 H2 TIP3 9459 -8.512 -20.763 8.853 1.00 0.00 WAT +ATOM 34688 OH2 TIP3 9460 -10.041 -16.971 3.239 1.00 0.00 WAT +ATOM 34689 H1 TIP3 9460 -10.907 -17.429 3.222 1.00 0.00 WAT +ATOM 34690 H2 TIP3 9460 -9.471 -17.584 3.715 1.00 0.00 WAT +ATOM 34691 OH2 TIP3 9461 -21.434 -23.515 3.976 1.00 0.00 WAT +ATOM 34692 H1 TIP3 9461 -21.601 -23.505 3.004 1.00 0.00 WAT +ATOM 34693 H2 TIP3 9461 -21.790 -24.382 4.232 1.00 0.00 WAT +ATOM 34694 OH2 TIP3 9462 -18.909 -13.305 -5.445 1.00 0.00 WAT +ATOM 34695 H1 TIP3 9462 -18.718 -13.795 -4.639 1.00 0.00 WAT +ATOM 34696 H2 TIP3 9462 -18.033 -13.020 -5.717 1.00 0.00 WAT +ATOM 34697 OH2 TIP3 9463 -10.332 -13.418 9.362 1.00 0.00 WAT +ATOM 34698 H1 TIP3 9463 -9.823 -12.696 8.974 1.00 0.00 WAT +ATOM 34699 H2 TIP3 9463 -11.220 -13.079 9.187 1.00 0.00 WAT +ATOM 34700 OH2 TIP3 9464 -22.963 -16.090 11.727 1.00 0.00 WAT +ATOM 34701 H1 TIP3 9464 -22.280 -16.470 11.155 1.00 0.00 WAT +ATOM 34702 H2 TIP3 9464 -22.520 -15.916 12.570 1.00 0.00 WAT +ATOM 34703 OH2 TIP3 9465 -17.556 -21.322 7.593 1.00 0.00 WAT +ATOM 34704 H1 TIP3 9465 -17.070 -20.574 7.219 1.00 0.00 WAT +ATOM 34705 H2 TIP3 9465 -18.460 -20.984 7.604 1.00 0.00 WAT +ATOM 34706 OH2 TIP3 9466 -17.182 -23.950 8.201 1.00 0.00 WAT +ATOM 34707 H1 TIP3 9466 -17.204 -22.987 7.969 1.00 0.00 WAT +ATOM 34708 H2 TIP3 9466 -17.790 -24.300 7.527 1.00 0.00 WAT +ATOM 34709 OH2 TIP3 9467 -15.625 -19.865 11.669 1.00 0.00 WAT +ATOM 34710 H1 TIP3 9467 -15.943 -19.580 12.534 1.00 0.00 WAT +ATOM 34711 H2 TIP3 9467 -16.327 -19.549 11.085 1.00 0.00 WAT +ATOM 34712 OH2 TIP3 9468 -13.053 -20.546 10.460 1.00 0.00 WAT +ATOM 34713 H1 TIP3 9468 -13.890 -20.261 10.880 1.00 0.00 WAT +ATOM 34714 H2 TIP3 9468 -12.550 -20.904 11.207 1.00 0.00 WAT +ATOM 34715 OH2 TIP3 9469 -11.214 -21.962 12.531 1.00 0.00 WAT +ATOM 34716 H1 TIP3 9469 -11.470 -22.884 12.701 1.00 0.00 WAT +ATOM 34717 H2 TIP3 9469 -11.459 -21.488 13.340 1.00 0.00 WAT +ATOM 34718 OH2 TIP3 9470 -20.671 -20.830 11.989 1.00 0.00 WAT +ATOM 34719 H1 TIP3 9470 -21.037 -20.848 11.087 1.00 0.00 WAT +ATOM 34720 H2 TIP3 9470 -21.450 -20.661 12.531 1.00 0.00 WAT +ATOM 34721 OH2 TIP3 9471 -17.102 -24.691 10.942 1.00 0.00 WAT +ATOM 34722 H1 TIP3 9471 -16.462 -25.410 10.811 1.00 0.00 WAT +ATOM 34723 H2 TIP3 9471 -17.245 -24.410 10.009 1.00 0.00 WAT +ATOM 34724 OH2 TIP3 9472 -16.335 -23.154 13.222 1.00 0.00 WAT +ATOM 34725 H1 TIP3 9472 -16.477 -23.488 12.308 1.00 0.00 WAT +ATOM 34726 H2 TIP3 9472 -16.816 -22.306 13.154 1.00 0.00 WAT +ATOM 34727 OH2 TIP3 9473 -6.637 -16.833 11.466 1.00 0.00 WAT +ATOM 34728 H1 TIP3 9473 -7.355 -17.361 11.117 1.00 0.00 WAT +ATOM 34729 H2 TIP3 9473 -5.860 -17.273 11.108 1.00 0.00 WAT +ATOM 34730 OH2 TIP3 9474 -8.174 -18.853 4.880 1.00 0.00 WAT +ATOM 34731 H1 TIP3 9474 -7.364 -18.341 4.735 1.00 0.00 WAT +ATOM 34732 H2 TIP3 9474 -8.428 -18.559 5.772 1.00 0.00 WAT +ATOM 34733 OH2 TIP3 9475 -8.390 -17.791 7.616 1.00 0.00 WAT +ATOM 34734 H1 TIP3 9475 -9.261 -17.464 7.881 1.00 0.00 WAT +ATOM 34735 H2 TIP3 9475 -7.925 -16.954 7.447 1.00 0.00 WAT +ATOM 34736 OH2 TIP3 9476 -23.787 -19.475 11.686 1.00 0.00 WAT +ATOM 34737 H1 TIP3 9476 -23.078 -19.404 11.030 1.00 0.00 WAT +ATOM 34738 H2 TIP3 9476 -24.248 -20.289 11.422 1.00 0.00 WAT +ATOM 34739 OH2 TIP3 9477 -5.795 -24.001 12.889 1.00 0.00 WAT +ATOM 34740 H1 TIP3 9477 -5.408 -24.661 12.289 1.00 0.00 WAT +ATOM 34741 H2 TIP3 9477 -5.835 -23.208 12.315 1.00 0.00 WAT +ATOM 34742 OH2 TIP3 9478 -22.982 -21.106 4.298 1.00 0.00 WAT +ATOM 34743 H1 TIP3 9478 -22.385 -21.880 4.308 1.00 0.00 WAT +ATOM 34744 H2 TIP3 9478 -22.391 -20.370 4.491 1.00 0.00 WAT +ATOM 34745 OH2 TIP3 9479 -6.614 -21.971 11.195 1.00 0.00 WAT +ATOM 34746 H1 TIP3 9479 -7.443 -21.452 11.191 1.00 0.00 WAT +ATOM 34747 H2 TIP3 9479 -6.725 -22.457 10.356 1.00 0.00 WAT +ATOM 34748 OH2 TIP3 9480 -23.970 -22.277 -1.020 1.00 0.00 WAT +ATOM 34749 H1 TIP3 9480 -24.893 -21.999 -1.072 1.00 0.00 WAT +ATOM 34750 H2 TIP3 9480 -23.477 -21.551 -1.432 1.00 0.00 WAT +ATOM 34751 OH2 TIP3 9481 -23.988 -23.257 7.373 1.00 0.00 WAT +ATOM 34752 H1 TIP3 9481 -24.713 -23.428 7.986 1.00 0.00 WAT +ATOM 34753 H2 TIP3 9481 -24.414 -22.685 6.713 1.00 0.00 WAT +ATOM 34754 OH2 TIP3 9482 -7.593 -23.697 9.184 1.00 0.00 WAT +ATOM 34755 H1 TIP3 9482 -8.355 -23.415 8.647 1.00 0.00 WAT +ATOM 34756 H2 TIP3 9482 -7.388 -24.572 8.798 1.00 0.00 WAT +ATOM 34757 OH2 TIP3 9483 -14.031 -22.265 3.474 1.00 0.00 WAT +ATOM 34758 H1 TIP3 9483 -14.820 -22.832 3.470 1.00 0.00 WAT +ATOM 34759 H2 TIP3 9483 -13.563 -22.546 2.680 1.00 0.00 WAT +ATOM 34760 OH2 TIP3 9484 -9.051 -24.302 3.884 1.00 0.00 WAT +ATOM 34761 H1 TIP3 9484 -8.384 -23.760 3.418 1.00 0.00 WAT +ATOM 34762 H2 TIP3 9484 -9.875 -23.939 3.498 1.00 0.00 WAT +ATOM 34763 OH2 TIP3 9485 -7.079 -23.181 1.920 1.00 0.00 WAT +ATOM 34764 H1 TIP3 9485 -6.481 -23.499 1.231 1.00 0.00 WAT +ATOM 34765 H2 TIP3 9485 -7.036 -22.216 1.865 1.00 0.00 WAT +ATOM 34766 OH2 TIP3 9486 -21.767 -23.469 1.293 1.00 0.00 WAT +ATOM 34767 H1 TIP3 9486 -22.470 -23.483 0.620 1.00 0.00 WAT +ATOM 34768 H2 TIP3 9486 -21.114 -24.058 0.895 1.00 0.00 WAT +ATOM 34769 OH2 TIP3 9487 -11.442 -23.875 2.424 1.00 0.00 WAT +ATOM 34770 H1 TIP3 9487 -11.602 -23.753 1.456 1.00 0.00 WAT +ATOM 34771 H2 TIP3 9487 -12.146 -24.499 2.651 1.00 0.00 WAT +ATOM 34772 OH2 TIP3 9488 -22.068 -23.367 10.626 1.00 0.00 WAT +ATOM 34773 H1 TIP3 9488 -22.309 -24.171 11.109 1.00 0.00 WAT +ATOM 34774 H2 TIP3 9488 -21.181 -23.167 10.960 1.00 0.00 WAT +ATOM 34775 OH2 TIP3 9489 -19.508 -23.955 12.572 1.00 0.00 WAT +ATOM 34776 H1 TIP3 9489 -18.759 -24.256 12.023 1.00 0.00 WAT +ATOM 34777 H2 TIP3 9489 -20.016 -24.761 12.716 1.00 0.00 WAT +ATOM 34778 OH2 TIP3 9490 -11.438 -24.784 12.625 1.00 0.00 WAT +ATOM 34779 H1 TIP3 9490 -11.396 -25.168 13.515 1.00 0.00 WAT +ATOM 34780 H2 TIP3 9490 -10.498 -24.773 12.361 1.00 0.00 WAT +ATOM 34781 OH2 TIP3 9491 12.152 -21.097 5.890 1.00 0.00 WAT +ATOM 34782 H1 TIP3 9491 12.112 -20.302 6.438 1.00 0.00 WAT +ATOM 34783 H2 TIP3 9491 12.738 -20.815 5.161 1.00 0.00 WAT +ATOM 34784 OH2 TIP3 9492 7.547 -20.791 0.616 1.00 0.00 WAT +ATOM 34785 H1 TIP3 9492 7.976 -20.816 1.484 1.00 0.00 WAT +ATOM 34786 H2 TIP3 9492 7.854 -19.935 0.280 1.00 0.00 WAT +ATOM 34787 OH2 TIP3 9493 -4.084 -18.030 3.366 1.00 0.00 WAT +ATOM 34788 H1 TIP3 9493 -3.294 -18.123 3.891 1.00 0.00 WAT +ATOM 34789 H2 TIP3 9493 -3.788 -18.062 2.457 1.00 0.00 WAT +ATOM 34790 OH2 TIP3 9494 1.373 -16.613 3.200 1.00 0.00 WAT +ATOM 34791 H1 TIP3 9494 2.330 -16.641 3.356 1.00 0.00 WAT +ATOM 34792 H2 TIP3 9494 1.286 -16.832 2.269 1.00 0.00 WAT +ATOM 34793 OH2 TIP3 9495 -1.119 -21.641 6.817 1.00 0.00 WAT +ATOM 34794 H1 TIP3 9495 -1.430 -20.945 6.221 1.00 0.00 WAT +ATOM 34795 H2 TIP3 9495 -1.751 -21.548 7.558 1.00 0.00 WAT +ATOM 34796 OH2 TIP3 9496 9.472 -21.273 3.190 1.00 0.00 WAT +ATOM 34797 H1 TIP3 9496 8.990 -21.607 3.950 1.00 0.00 WAT +ATOM 34798 H2 TIP3 9496 9.806 -20.420 3.528 1.00 0.00 WAT +ATOM 34799 OH2 TIP3 9497 -1.362 -19.559 4.732 1.00 0.00 WAT +ATOM 34800 H1 TIP3 9497 -0.889 -18.754 4.975 1.00 0.00 WAT +ATOM 34801 H2 TIP3 9497 -0.929 -19.798 3.910 1.00 0.00 WAT +ATOM 34802 OH2 TIP3 9498 9.644 -22.193 6.677 1.00 0.00 WAT +ATOM 34803 H1 TIP3 9498 8.956 -21.582 6.998 1.00 0.00 WAT +ATOM 34804 H2 TIP3 9498 10.325 -21.581 6.342 1.00 0.00 WAT +ATOM 34805 OH2 TIP3 9499 2.721 -24.278 3.847 1.00 0.00 WAT +ATOM 34806 H1 TIP3 9499 2.424 -25.203 3.867 1.00 0.00 WAT +ATOM 34807 H2 TIP3 9499 1.917 -23.795 4.113 1.00 0.00 WAT +ATOM 34808 OH2 TIP3 9500 5.387 -17.856 -3.868 1.00 0.00 WAT +ATOM 34809 H1 TIP3 9500 5.549 -16.959 -3.568 1.00 0.00 WAT +ATOM 34810 H2 TIP3 9500 5.149 -17.726 -4.789 1.00 0.00 WAT +ATOM 34811 OH2 TIP3 9501 1.129 -11.360 10.133 1.00 0.00 WAT +ATOM 34812 H1 TIP3 9501 0.916 -10.451 10.364 1.00 0.00 WAT +ATOM 34813 H2 TIP3 9501 0.790 -11.409 9.239 1.00 0.00 WAT +ATOM 34814 OH2 TIP3 9502 10.523 -24.153 -3.182 1.00 0.00 WAT +ATOM 34815 H1 TIP3 9502 9.706 -23.857 -2.770 1.00 0.00 WAT +ATOM 34816 H2 TIP3 9502 10.982 -23.296 -3.307 1.00 0.00 WAT +ATOM 34817 OH2 TIP3 9503 -1.051 -15.643 -0.262 1.00 0.00 WAT +ATOM 34818 H1 TIP3 9503 -1.048 -14.751 -0.632 1.00 0.00 WAT +ATOM 34819 H2 TIP3 9503 -1.891 -16.001 -0.568 1.00 0.00 WAT +ATOM 34820 OH2 TIP3 9504 0.171 -22.812 4.465 1.00 0.00 WAT +ATOM 34821 H1 TIP3 9504 -0.751 -23.122 4.364 1.00 0.00 WAT +ATOM 34822 H2 TIP3 9504 0.103 -22.307 5.298 1.00 0.00 WAT +ATOM 34823 OH2 TIP3 9505 4.470 -21.162 -4.297 1.00 0.00 WAT +ATOM 34824 H1 TIP3 9505 3.861 -20.924 -3.593 1.00 0.00 WAT +ATOM 34825 H2 TIP3 9505 3.916 -21.700 -4.887 1.00 0.00 WAT +ATOM 34826 OH2 TIP3 9506 0.040 -18.727 1.100 1.00 0.00 WAT +ATOM 34827 H1 TIP3 9506 -0.862 -18.366 1.059 1.00 0.00 WAT +ATOM 34828 H2 TIP3 9506 0.388 -18.401 0.252 1.00 0.00 WAT +ATOM 34829 OH2 TIP3 9507 5.444 -17.613 -0.098 1.00 0.00 WAT +ATOM 34830 H1 TIP3 9507 5.180 -16.685 -0.159 1.00 0.00 WAT +ATOM 34831 H2 TIP3 9507 6.265 -17.643 -0.625 1.00 0.00 WAT +ATOM 34832 OH2 TIP3 9508 6.987 -18.212 2.430 1.00 0.00 WAT +ATOM 34833 H1 TIP3 9508 6.374 -17.599 2.013 1.00 0.00 WAT +ATOM 34834 H2 TIP3 9508 6.577 -19.062 2.285 1.00 0.00 WAT +ATOM 34835 OH2 TIP3 9509 0.861 -20.589 -5.162 1.00 0.00 WAT +ATOM 34836 H1 TIP3 9509 0.270 -21.185 -4.697 1.00 0.00 WAT +ATOM 34837 H2 TIP3 9509 0.221 -20.002 -5.611 1.00 0.00 WAT +ATOM 34838 OH2 TIP3 9510 -5.556 -20.416 1.584 1.00 0.00 WAT +ATOM 34839 H1 TIP3 9510 -5.155 -20.532 2.464 1.00 0.00 WAT +ATOM 34840 H2 TIP3 9510 -5.190 -21.135 1.056 1.00 0.00 WAT +ATOM 34841 OH2 TIP3 9511 -4.496 -20.330 -2.765 1.00 0.00 WAT +ATOM 34842 H1 TIP3 9511 -3.966 -19.955 -3.482 1.00 0.00 WAT +ATOM 34843 H2 TIP3 9511 -5.074 -19.593 -2.534 1.00 0.00 WAT +ATOM 34844 OH2 TIP3 9512 1.939 -20.929 2.227 1.00 0.00 WAT +ATOM 34845 H1 TIP3 9512 1.658 -20.209 2.807 1.00 0.00 WAT +ATOM 34846 H2 TIP3 9512 2.852 -21.066 2.559 1.00 0.00 WAT +ATOM 34847 OH2 TIP3 9513 -2.723 -19.450 0.695 1.00 0.00 WAT +ATOM 34848 H1 TIP3 9513 -3.597 -19.057 0.545 1.00 0.00 WAT +ATOM 34849 H2 TIP3 9513 -2.740 -20.165 0.055 1.00 0.00 WAT +ATOM 34850 OH2 TIP3 9514 0.969 -18.845 -1.775 1.00 0.00 WAT +ATOM 34851 H1 TIP3 9514 1.910 -18.819 -1.546 1.00 0.00 WAT +ATOM 34852 H2 TIP3 9514 0.913 -18.156 -2.458 1.00 0.00 WAT +ATOM 34853 OH2 TIP3 9515 7.062 -20.652 -3.557 1.00 0.00 WAT +ATOM 34854 H1 TIP3 9515 6.112 -20.602 -3.803 1.00 0.00 WAT +ATOM 34855 H2 TIP3 9515 7.181 -19.786 -3.130 1.00 0.00 WAT +ATOM 34856 OH2 TIP3 9516 7.799 -18.086 -2.001 1.00 0.00 WAT +ATOM 34857 H1 TIP3 9516 8.648 -18.402 -1.629 1.00 0.00 WAT +ATOM 34858 H2 TIP3 9516 8.069 -17.586 -2.777 1.00 0.00 WAT +ATOM 34859 OH2 TIP3 9517 12.134 -18.191 -2.483 1.00 0.00 WAT +ATOM 34860 H1 TIP3 9517 12.196 -18.716 -3.291 1.00 0.00 WAT +ATOM 34861 H2 TIP3 9517 12.758 -17.470 -2.640 1.00 0.00 WAT +ATOM 34862 OH2 TIP3 9518 -3.415 -21.266 8.736 1.00 0.00 WAT +ATOM 34863 H1 TIP3 9518 -4.219 -20.725 8.765 1.00 0.00 WAT +ATOM 34864 H2 TIP3 9518 -3.632 -21.990 9.348 1.00 0.00 WAT +ATOM 34865 OH2 TIP3 9519 3.560 -9.750 -3.190 1.00 0.00 WAT +ATOM 34866 H1 TIP3 9519 3.961 -10.065 -2.377 1.00 0.00 WAT +ATOM 34867 H2 TIP3 9519 4.099 -9.005 -3.447 1.00 0.00 WAT +ATOM 34868 OH2 TIP3 9520 3.653 -19.704 -0.424 1.00 0.00 WAT +ATOM 34869 H1 TIP3 9520 4.390 -19.049 -0.386 1.00 0.00 WAT +ATOM 34870 H2 TIP3 9520 3.433 -19.762 0.511 1.00 0.00 WAT +ATOM 34871 OH2 TIP3 9521 -0.153 -21.696 -2.186 1.00 0.00 WAT +ATOM 34872 H1 TIP3 9521 0.032 -20.753 -2.329 1.00 0.00 WAT +ATOM 34873 H2 TIP3 9521 0.614 -22.143 -2.573 1.00 0.00 WAT +ATOM 34874 OH2 TIP3 9522 -2.475 -23.606 3.914 1.00 0.00 WAT +ATOM 34875 H1 TIP3 9522 -2.836 -23.590 3.008 1.00 0.00 WAT +ATOM 34876 H2 TIP3 9522 -2.916 -24.393 4.295 1.00 0.00 WAT +ATOM 34877 OH2 TIP3 9523 2.008 -23.650 8.152 1.00 0.00 WAT +ATOM 34878 H1 TIP3 9523 1.829 -22.724 7.947 1.00 0.00 WAT +ATOM 34879 H2 TIP3 9523 1.341 -24.118 7.625 1.00 0.00 WAT +ATOM 34880 OH2 TIP3 9524 6.821 -22.096 12.817 1.00 0.00 WAT +ATOM 34881 H1 TIP3 9524 7.329 -22.721 12.275 1.00 0.00 WAT +ATOM 34882 H2 TIP3 9524 7.269 -21.259 12.651 1.00 0.00 WAT +ATOM 34883 OH2 TIP3 9525 -2.234 -20.495 11.756 1.00 0.00 WAT +ATOM 34884 H1 TIP3 9525 -2.399 -21.249 11.178 1.00 0.00 WAT +ATOM 34885 H2 TIP3 9525 -2.476 -20.817 12.632 1.00 0.00 WAT +ATOM 34886 OH2 TIP3 9526 1.818 -24.565 10.880 1.00 0.00 WAT +ATOM 34887 H1 TIP3 9526 2.366 -25.365 10.834 1.00 0.00 WAT +ATOM 34888 H2 TIP3 9526 1.847 -24.277 9.941 1.00 0.00 WAT +ATOM 34889 OH2 TIP3 9527 2.872 -22.900 13.070 1.00 0.00 WAT +ATOM 34890 H1 TIP3 9527 2.673 -23.455 12.285 1.00 0.00 WAT +ATOM 34891 H2 TIP3 9527 2.140 -22.270 13.006 1.00 0.00 WAT +ATOM 34892 OH2 TIP3 9528 10.044 -19.152 -0.608 1.00 0.00 WAT +ATOM 34893 H1 TIP3 9528 10.311 -20.051 -0.377 1.00 0.00 WAT +ATOM 34894 H2 TIP3 9528 10.889 -18.755 -0.879 1.00 0.00 WAT +ATOM 34895 OH2 TIP3 9529 10.351 -18.760 4.774 1.00 0.00 WAT +ATOM 34896 H1 TIP3 9529 11.284 -18.570 4.916 1.00 0.00 WAT +ATOM 34897 H2 TIP3 9529 9.946 -18.678 5.664 1.00 0.00 WAT +ATOM 34898 OH2 TIP3 9530 -5.040 -19.488 11.056 1.00 0.00 WAT +ATOM 34899 H1 TIP3 9530 -4.123 -19.565 11.367 1.00 0.00 WAT +ATOM 34900 H2 TIP3 9530 -5.472 -20.266 11.443 1.00 0.00 WAT +ATOM 34901 OH2 TIP3 9531 13.021 -23.899 12.841 1.00 0.00 WAT +ATOM 34902 H1 TIP3 9531 13.441 -24.592 12.300 1.00 0.00 WAT +ATOM 34903 H2 TIP3 9531 13.015 -23.139 12.221 1.00 0.00 WAT +ATOM 34904 OH2 TIP3 9532 10.407 -22.369 -0.702 1.00 0.00 WAT +ATOM 34905 H1 TIP3 9532 10.618 -22.435 0.241 1.00 0.00 WAT +ATOM 34906 H2 TIP3 9532 9.571 -22.831 -0.756 1.00 0.00 WAT +ATOM 34907 OH2 TIP3 9533 -4.035 -21.037 4.099 1.00 0.00 WAT +ATOM 34908 H1 TIP3 9533 -3.615 -21.858 4.387 1.00 0.00 WAT +ATOM 34909 H2 TIP3 9533 -3.465 -20.356 4.482 1.00 0.00 WAT +ATOM 34910 OH2 TIP3 9534 12.277 -21.938 11.053 1.00 0.00 WAT +ATOM 34911 H1 TIP3 9534 11.429 -21.498 11.210 1.00 0.00 WAT +ATOM 34912 H2 TIP3 9534 12.087 -22.445 10.241 1.00 0.00 WAT +ATOM 34913 OH2 TIP3 9535 12.438 -22.073 -3.711 1.00 0.00 WAT +ATOM 34914 H1 TIP3 9535 12.644 -22.549 -4.530 1.00 0.00 WAT +ATOM 34915 H2 TIP3 9535 12.984 -21.272 -3.810 1.00 0.00 WAT +ATOM 34916 OH2 TIP3 9536 -4.962 -22.101 -0.657 1.00 0.00 WAT +ATOM 34917 H1 TIP3 9536 -5.906 -22.241 -0.803 1.00 0.00 WAT +ATOM 34918 H2 TIP3 9536 -4.708 -21.585 -1.449 1.00 0.00 WAT +ATOM 34919 OH2 TIP3 9537 -5.262 -23.472 7.188 1.00 0.00 WAT +ATOM 34920 H1 TIP3 9537 -5.867 -23.429 7.939 1.00 0.00 WAT +ATOM 34921 H2 TIP3 9537 -5.642 -22.766 6.620 1.00 0.00 WAT +ATOM 34922 OH2 TIP3 9538 11.146 -23.706 9.179 1.00 0.00 WAT +ATOM 34923 H1 TIP3 9538 10.468 -23.355 8.573 1.00 0.00 WAT +ATOM 34924 H2 TIP3 9538 11.378 -24.555 8.750 1.00 0.00 WAT +ATOM 34925 OH2 TIP3 9539 4.629 -22.262 2.920 1.00 0.00 WAT +ATOM 34926 H1 TIP3 9539 4.114 -22.893 3.451 1.00 0.00 WAT +ATOM 34927 H2 TIP3 9539 5.524 -22.643 2.957 1.00 0.00 WAT +ATOM 34928 OH2 TIP3 9540 10.049 -24.742 3.932 1.00 0.00 WAT +ATOM 34929 H1 TIP3 9540 10.570 -23.962 3.647 1.00 0.00 WAT +ATOM 34930 H2 TIP3 9540 9.155 -24.356 3.845 1.00 0.00 WAT +ATOM 34931 OH2 TIP3 9541 11.716 -23.205 1.927 1.00 0.00 WAT +ATOM 34932 H1 TIP3 9541 12.482 -23.451 1.377 1.00 0.00 WAT +ATOM 34933 H2 TIP3 9541 11.923 -22.260 2.090 1.00 0.00 WAT +ATOM 34934 OH2 TIP3 9542 -2.660 -23.418 1.048 1.00 0.00 WAT +ATOM 34935 H1 TIP3 9542 -3.494 -23.321 0.545 1.00 0.00 WAT +ATOM 34936 H2 TIP3 9542 -2.481 -24.368 0.911 1.00 0.00 WAT +ATOM 34937 OH2 TIP3 9543 -4.067 -24.069 -2.923 1.00 0.00 WAT +ATOM 34938 H1 TIP3 9543 -3.786 -23.476 -3.633 1.00 0.00 WAT +ATOM 34939 H2 TIP3 9543 -4.742 -23.558 -2.469 1.00 0.00 WAT +ATOM 34940 OH2 TIP3 9544 7.197 -23.757 2.651 1.00 0.00 WAT +ATOM 34941 H1 TIP3 9544 7.563 -23.827 1.763 1.00 0.00 WAT +ATOM 34942 H2 TIP3 9544 6.770 -24.621 2.797 1.00 0.00 WAT +ATOM 34943 OH2 TIP3 9545 -2.208 -22.044 -4.566 1.00 0.00 WAT +ATOM 34944 H1 TIP3 9545 -1.775 -22.800 -5.010 1.00 0.00 WAT +ATOM 34945 H2 TIP3 9545 -1.771 -22.020 -3.704 1.00 0.00 WAT +ATOM 34946 OH2 TIP3 9546 3.301 -22.281 -1.670 1.00 0.00 WAT +ATOM 34947 H1 TIP3 9546 2.882 -22.594 -0.865 1.00 0.00 WAT +ATOM 34948 H2 TIP3 9546 3.098 -21.326 -1.611 1.00 0.00 WAT +ATOM 34949 OH2 TIP3 9547 -3.163 -23.295 10.788 1.00 0.00 WAT +ATOM 34950 H1 TIP3 9547 -3.493 -24.139 11.142 1.00 0.00 WAT +ATOM 34951 H2 TIP3 9547 -2.224 -23.336 11.020 1.00 0.00 WAT +ATOM 34952 OH2 TIP3 9548 -0.612 -23.926 12.511 1.00 0.00 WAT +ATOM 34953 H1 TIP3 9548 0.141 -24.294 12.010 1.00 0.00 WAT +ATOM 34954 H2 TIP3 9548 -1.057 -24.725 12.828 1.00 0.00 WAT +ATOM 34955 OH2 TIP3 9549 7.380 -24.874 12.618 1.00 0.00 WAT +ATOM 34956 H1 TIP3 9549 7.510 -25.215 13.517 1.00 0.00 WAT +ATOM 34957 H2 TIP3 9549 8.283 -24.886 12.265 1.00 0.00 WAT +ATOM 34958 OH2 TIP3 9550 25.004 -14.998 1.619 1.00 0.00 WAT +ATOM 34959 H1 TIP3 9550 25.030 -14.027 1.584 1.00 0.00 WAT +ATOM 34960 H2 TIP3 9550 24.251 -15.172 1.046 1.00 0.00 WAT +ATOM 34961 OH2 TIP3 9551 23.758 -15.166 4.621 1.00 0.00 WAT +ATOM 34962 H1 TIP3 9551 23.666 -15.776 5.362 1.00 0.00 WAT +ATOM 34963 H2 TIP3 9551 23.434 -15.692 3.875 1.00 0.00 WAT +ATOM 34964 OH2 TIP3 9552 27.670 -12.644 3.079 1.00 0.00 WAT +ATOM 34965 H1 TIP3 9552 27.088 -13.220 3.599 1.00 0.00 WAT +ATOM 34966 H2 TIP3 9552 27.393 -11.762 3.347 1.00 0.00 WAT +ATOM 34967 OH2 TIP3 9553 31.010 -21.374 5.736 1.00 0.00 WAT +ATOM 34968 H1 TIP3 9553 31.196 -20.704 6.411 1.00 0.00 WAT +ATOM 34969 H2 TIP3 9553 31.572 -21.070 5.002 1.00 0.00 WAT +ATOM 34970 OH2 TIP3 9554 25.624 -18.488 5.612 1.00 0.00 WAT +ATOM 34971 H1 TIP3 9554 25.668 -19.456 5.648 1.00 0.00 WAT +ATOM 34972 H2 TIP3 9554 25.449 -18.342 4.667 1.00 0.00 WAT +ATOM 34973 OH2 TIP3 9555 26.422 -20.329 0.995 1.00 0.00 WAT +ATOM 34974 H1 TIP3 9555 27.022 -20.755 1.639 1.00 0.00 WAT +ATOM 34975 H2 TIP3 9555 27.052 -19.862 0.428 1.00 0.00 WAT +ATOM 34976 OH2 TIP3 9556 31.760 -19.871 8.241 1.00 0.00 WAT +ATOM 34977 H1 TIP3 9556 31.122 -19.206 7.919 1.00 0.00 WAT +ATOM 34978 H2 TIP3 9556 31.367 -20.081 9.099 1.00 0.00 WAT +ATOM 34979 OH2 TIP3 9557 17.340 -21.572 6.769 1.00 0.00 WAT +ATOM 34980 H1 TIP3 9557 17.049 -21.078 5.976 1.00 0.00 WAT +ATOM 34981 H2 TIP3 9557 16.632 -21.359 7.402 1.00 0.00 WAT +ATOM 34982 OH2 TIP3 9558 25.087 -12.565 0.248 1.00 0.00 WAT +ATOM 34983 H1 TIP3 9558 24.821 -12.594 -0.679 1.00 0.00 WAT +ATOM 34984 H2 TIP3 9558 25.126 -11.628 0.444 1.00 0.00 WAT +ATOM 34985 OH2 TIP3 9559 28.332 -21.147 3.022 1.00 0.00 WAT +ATOM 34986 H1 TIP3 9559 27.812 -21.689 3.631 1.00 0.00 WAT +ATOM 34987 H2 TIP3 9559 28.723 -20.487 3.621 1.00 0.00 WAT +ATOM 34988 OH2 TIP3 9560 17.040 -19.942 4.525 1.00 0.00 WAT +ATOM 34989 H1 TIP3 9560 17.347 -19.081 4.826 1.00 0.00 WAT +ATOM 34990 H2 TIP3 9560 17.463 -19.955 3.629 1.00 0.00 WAT +ATOM 34991 OH2 TIP3 9561 28.393 -21.898 6.881 1.00 0.00 WAT +ATOM 34992 H1 TIP3 9561 27.596 -21.566 6.422 1.00 0.00 WAT +ATOM 34993 H2 TIP3 9561 29.079 -21.777 6.200 1.00 0.00 WAT +ATOM 34994 OH2 TIP3 9562 21.544 -24.239 4.020 1.00 0.00 WAT +ATOM 34995 H1 TIP3 9562 21.268 -25.155 3.839 1.00 0.00 WAT +ATOM 34996 H2 TIP3 9562 20.694 -23.822 4.274 1.00 0.00 WAT +ATOM 34997 OH2 TIP3 9563 29.540 -12.159 9.001 1.00 0.00 WAT +ATOM 34998 H1 TIP3 9563 29.215 -12.758 8.305 1.00 0.00 WAT +ATOM 34999 H2 TIP3 9563 29.159 -11.307 8.739 1.00 0.00 WAT +ATOM 35000 OH2 TIP3 9564 23.357 -14.709 -1.445 1.00 0.00 WAT +ATOM 35001 H1 TIP3 9564 22.633 -14.714 -2.080 1.00 0.00 WAT +ATOM 35002 H2 TIP3 9564 24.098 -15.041 -1.972 1.00 0.00 WAT +ATOM 35003 OH2 TIP3 9565 23.578 -17.061 -4.099 1.00 0.00 WAT +ATOM 35004 H1 TIP3 9565 24.408 -16.749 -3.716 1.00 0.00 WAT +ATOM 35005 H2 TIP3 9565 23.870 -17.551 -4.873 1.00 0.00 WAT +ATOM 35006 OH2 TIP3 9566 31.439 -15.853 7.328 1.00 0.00 WAT +ATOM 35007 H1 TIP3 9566 30.594 -15.371 7.347 1.00 0.00 WAT +ATOM 35008 H2 TIP3 9566 31.724 -15.709 6.406 1.00 0.00 WAT +ATOM 35009 OH2 TIP3 9567 27.177 -15.193 -0.409 1.00 0.00 WAT +ATOM 35010 H1 TIP3 9567 26.575 -14.776 0.232 1.00 0.00 WAT +ATOM 35011 H2 TIP3 9567 27.745 -15.717 0.177 1.00 0.00 WAT +ATOM 35012 OH2 TIP3 9568 26.942 -16.706 8.558 1.00 0.00 WAT +ATOM 35013 H1 TIP3 9568 26.876 -15.961 9.174 1.00 0.00 WAT +ATOM 35014 H2 TIP3 9568 26.264 -16.425 7.911 1.00 0.00 WAT +ATOM 35015 OH2 TIP3 9569 25.928 -15.827 -2.792 1.00 0.00 WAT +ATOM 35016 H1 TIP3 9569 26.422 -15.534 -1.993 1.00 0.00 WAT +ATOM 35017 H2 TIP3 9569 26.425 -15.341 -3.490 1.00 0.00 WAT +ATOM 35018 OH2 TIP3 9570 29.537 -24.121 -3.226 1.00 0.00 WAT +ATOM 35019 H1 TIP3 9570 28.630 -24.026 -2.876 1.00 0.00 WAT +ATOM 35020 H2 TIP3 9570 29.852 -23.204 -3.207 1.00 0.00 WAT +ATOM 35021 OH2 TIP3 9571 30.733 -9.429 -4.178 1.00 0.00 WAT +ATOM 35022 H1 TIP3 9571 31.192 -8.611 -4.392 1.00 0.00 WAT +ATOM 35023 H2 TIP3 9571 31.476 -10.057 -4.107 1.00 0.00 WAT +ATOM 35024 OH2 TIP3 9572 31.856 -9.425 10.733 1.00 0.00 WAT +ATOM 35025 H1 TIP3 9572 31.765 -10.320 10.383 1.00 0.00 WAT +ATOM 35026 H2 TIP3 9572 30.943 -9.087 10.514 1.00 0.00 WAT +ATOM 35027 OH2 TIP3 9573 29.096 -18.114 10.934 1.00 0.00 WAT +ATOM 35028 H1 TIP3 9573 28.449 -17.739 10.315 1.00 0.00 WAT +ATOM 35029 H2 TIP3 9573 29.043 -19.057 10.694 1.00 0.00 WAT +ATOM 35030 OH2 TIP3 9574 19.060 -23.034 4.797 1.00 0.00 WAT +ATOM 35031 H1 TIP3 9574 18.255 -23.133 4.253 1.00 0.00 WAT +ATOM 35032 H2 TIP3 9574 18.789 -22.280 5.346 1.00 0.00 WAT +ATOM 35033 OH2 TIP3 9575 23.460 -23.485 8.481 1.00 0.00 WAT +ATOM 35034 H1 TIP3 9575 23.977 -24.037 9.099 1.00 0.00 WAT +ATOM 35035 H2 TIP3 9575 22.552 -23.827 8.583 1.00 0.00 WAT +ATOM 35036 OH2 TIP3 9576 26.710 -19.670 9.085 1.00 0.00 WAT +ATOM 35037 H1 TIP3 9576 25.996 -19.849 9.727 1.00 0.00 WAT +ATOM 35038 H2 TIP3 9576 26.517 -18.762 8.794 1.00 0.00 WAT +ATOM 35039 OH2 TIP3 9577 27.642 -14.697 -4.721 1.00 0.00 WAT +ATOM 35040 H1 TIP3 9577 27.419 -14.922 -5.645 1.00 0.00 WAT +ATOM 35041 H2 TIP3 9577 28.597 -14.533 -4.804 1.00 0.00 WAT +ATOM 35042 OH2 TIP3 9578 23.317 -21.023 -4.250 1.00 0.00 WAT +ATOM 35043 H1 TIP3 9578 22.782 -21.098 -3.443 1.00 0.00 WAT +ATOM 35044 H2 TIP3 9578 22.856 -21.665 -4.817 1.00 0.00 WAT +ATOM 35045 OH2 TIP3 9579 18.959 -18.619 6.567 1.00 0.00 WAT +ATOM 35046 H1 TIP3 9579 18.118 -18.471 7.053 1.00 0.00 WAT +ATOM 35047 H2 TIP3 9579 18.886 -18.001 5.835 1.00 0.00 WAT +ATOM 35048 OH2 TIP3 9580 24.444 -17.524 -0.148 1.00 0.00 WAT +ATOM 35049 H1 TIP3 9580 23.936 -16.812 -0.565 1.00 0.00 WAT +ATOM 35050 H2 TIP3 9580 25.105 -17.730 -0.829 1.00 0.00 WAT +ATOM 35051 OH2 TIP3 9581 23.692 -17.341 11.381 1.00 0.00 WAT +ATOM 35052 H1 TIP3 9581 23.164 -18.109 11.669 1.00 0.00 WAT +ATOM 35053 H2 TIP3 9581 24.577 -17.547 11.740 1.00 0.00 WAT +ATOM 35054 OH2 TIP3 9582 25.320 -18.223 2.679 1.00 0.00 WAT +ATOM 35055 H1 TIP3 9582 25.031 -17.608 1.975 1.00 0.00 WAT +ATOM 35056 H2 TIP3 9582 25.482 -19.029 2.152 1.00 0.00 WAT +ATOM 35057 OH2 TIP3 9583 16.543 -18.020 7.958 1.00 0.00 WAT +ATOM 35058 H1 TIP3 9583 16.399 -17.523 8.770 1.00 0.00 WAT +ATOM 35059 H2 TIP3 9583 15.968 -18.789 8.094 1.00 0.00 WAT +ATOM 35060 OH2 TIP3 9584 19.736 -20.702 -5.268 1.00 0.00 WAT +ATOM 35061 H1 TIP3 9584 19.397 -20.914 -4.374 1.00 0.00 WAT +ATOM 35062 H2 TIP3 9584 19.004 -20.191 -5.632 1.00 0.00 WAT +ATOM 35063 OH2 TIP3 9585 13.137 -20.724 1.715 1.00 0.00 WAT +ATOM 35064 H1 TIP3 9585 13.761 -20.721 2.459 1.00 0.00 WAT +ATOM 35065 H2 TIP3 9585 13.708 -20.930 0.961 1.00 0.00 WAT +ATOM 35066 OH2 TIP3 9586 14.512 -19.956 -3.093 1.00 0.00 WAT +ATOM 35067 H1 TIP3 9586 15.183 -19.348 -3.440 1.00 0.00 WAT +ATOM 35068 H2 TIP3 9586 14.196 -19.457 -2.334 1.00 0.00 WAT +ATOM 35069 OH2 TIP3 9587 24.372 -16.523 7.229 1.00 0.00 WAT +ATOM 35070 H1 TIP3 9587 24.765 -17.226 6.677 1.00 0.00 WAT +ATOM 35071 H2 TIP3 9587 23.839 -17.032 7.862 1.00 0.00 WAT +ATOM 35072 OH2 TIP3 9588 21.366 -20.759 2.151 1.00 0.00 WAT +ATOM 35073 H1 TIP3 9588 20.436 -20.446 2.155 1.00 0.00 WAT +ATOM 35074 H2 TIP3 9588 21.602 -20.688 3.085 1.00 0.00 WAT +ATOM 35075 OH2 TIP3 9589 20.114 -19.254 -1.855 1.00 0.00 WAT +ATOM 35076 H1 TIP3 9589 20.739 -19.007 -1.164 1.00 0.00 WAT +ATOM 35077 H2 TIP3 9589 19.650 -18.434 -2.028 1.00 0.00 WAT +ATOM 35078 OH2 TIP3 9590 26.051 -21.516 5.176 1.00 0.00 WAT +ATOM 35079 H1 TIP3 9590 25.390 -21.469 5.898 1.00 0.00 WAT +ATOM 35080 H2 TIP3 9590 25.466 -21.843 4.463 1.00 0.00 WAT +ATOM 35081 OH2 TIP3 9591 16.843 -13.519 11.660 1.00 0.00 WAT +ATOM 35082 H1 TIP3 9591 17.365 -12.767 11.965 1.00 0.00 WAT +ATOM 35083 H2 TIP3 9591 15.959 -13.134 11.668 1.00 0.00 WAT +ATOM 35084 OH2 TIP3 9592 22.568 -17.884 3.889 1.00 0.00 WAT +ATOM 35085 H1 TIP3 9592 23.216 -18.335 3.337 1.00 0.00 WAT +ATOM 35086 H2 TIP3 9592 22.371 -18.537 4.580 1.00 0.00 WAT +ATOM 35087 OH2 TIP3 9593 21.714 -19.535 6.135 1.00 0.00 WAT +ATOM 35088 H1 TIP3 9593 20.839 -19.123 6.221 1.00 0.00 WAT +ATOM 35089 H2 TIP3 9593 22.158 -19.281 6.963 1.00 0.00 WAT +ATOM 35090 OH2 TIP3 9594 29.180 -14.037 6.724 1.00 0.00 WAT +ATOM 35091 H1 TIP3 9594 29.506 -13.593 5.935 1.00 0.00 WAT +ATOM 35092 H2 TIP3 9594 28.240 -14.153 6.462 1.00 0.00 WAT +ATOM 35093 OH2 TIP3 9595 25.967 -20.370 -4.146 1.00 0.00 WAT +ATOM 35094 H1 TIP3 9595 24.984 -20.453 -4.163 1.00 0.00 WAT +ATOM 35095 H2 TIP3 9595 26.114 -19.663 -3.488 1.00 0.00 WAT +ATOM 35096 OH2 TIP3 9596 26.616 -18.572 -2.036 1.00 0.00 WAT +ATOM 35097 H1 TIP3 9596 27.512 -18.700 -1.676 1.00 0.00 WAT +ATOM 35098 H2 TIP3 9596 26.677 -17.701 -2.468 1.00 0.00 WAT +ATOM 35099 OH2 TIP3 9597 21.040 -15.931 11.298 1.00 0.00 WAT +ATOM 35100 H1 TIP3 9597 20.642 -16.146 10.438 1.00 0.00 WAT +ATOM 35101 H2 TIP3 9597 21.982 -15.874 11.093 1.00 0.00 WAT +ATOM 35102 OH2 TIP3 9598 31.234 -18.553 -2.340 1.00 0.00 WAT +ATOM 35103 H1 TIP3 9598 30.673 -18.727 -3.126 1.00 0.00 WAT +ATOM 35104 H2 TIP3 9598 31.337 -17.591 -2.452 1.00 0.00 WAT +ATOM 35105 OH2 TIP3 9599 31.753 -12.537 10.493 1.00 0.00 WAT +ATOM 35106 H1 TIP3 9599 30.817 -12.276 10.341 1.00 0.00 WAT +ATOM 35107 H2 TIP3 9599 32.034 -12.650 9.567 1.00 0.00 WAT +ATOM 35108 OH2 TIP3 9600 26.688 -14.615 5.174 1.00 0.00 WAT +ATOM 35109 H1 TIP3 9600 25.719 -14.687 5.063 1.00 0.00 WAT +ATOM 35110 H2 TIP3 9600 27.003 -15.359 4.632 1.00 0.00 WAT +ATOM 35111 OH2 TIP3 9601 15.354 -20.739 8.797 1.00 0.00 WAT +ATOM 35112 H1 TIP3 9601 14.427 -20.601 8.571 1.00 0.00 WAT +ATOM 35113 H2 TIP3 9601 15.327 -21.641 9.161 1.00 0.00 WAT +ATOM 35114 OH2 TIP3 9602 24.457 -21.029 7.397 1.00 0.00 WAT +ATOM 35115 H1 TIP3 9602 25.057 -20.837 8.128 1.00 0.00 WAT +ATOM 35116 H2 TIP3 9602 23.941 -21.783 7.742 1.00 0.00 WAT +ATOM 35117 OH2 TIP3 9603 25.209 -21.705 -1.393 1.00 0.00 WAT +ATOM 35118 H1 TIP3 9603 25.211 -21.121 -2.165 1.00 0.00 WAT +ATOM 35119 H2 TIP3 9603 25.499 -21.110 -0.683 1.00 0.00 WAT +ATOM 35120 OH2 TIP3 9604 22.659 -19.729 -0.305 1.00 0.00 WAT +ATOM 35121 H1 TIP3 9604 23.284 -18.998 -0.140 1.00 0.00 WAT +ATOM 35122 H2 TIP3 9604 22.140 -19.768 0.515 1.00 0.00 WAT +ATOM 35123 OH2 TIP3 9605 22.871 -18.502 8.756 1.00 0.00 WAT +ATOM 35124 H1 TIP3 9605 22.971 -18.092 9.632 1.00 0.00 WAT +ATOM 35125 H2 TIP3 9605 23.308 -19.354 8.891 1.00 0.00 WAT +ATOM 35126 OH2 TIP3 9606 23.156 -22.621 0.628 1.00 0.00 WAT +ATOM 35127 H1 TIP3 9606 22.803 -21.867 1.137 1.00 0.00 WAT +ATOM 35128 H2 TIP3 9606 23.757 -22.171 0.005 1.00 0.00 WAT +ATOM 35129 OH2 TIP3 9607 18.668 -21.591 -2.799 1.00 0.00 WAT +ATOM 35130 H1 TIP3 9607 18.611 -20.874 -2.138 1.00 0.00 WAT +ATOM 35131 H2 TIP3 9607 19.445 -22.065 -2.460 1.00 0.00 WAT +ATOM 35132 OH2 TIP3 9608 29.212 -20.722 9.580 1.00 0.00 WAT +ATOM 35133 H1 TIP3 9608 28.250 -20.536 9.508 1.00 0.00 WAT +ATOM 35134 H2 TIP3 9608 29.353 -20.998 8.661 1.00 0.00 WAT +ATOM 35135 OH2 TIP3 9609 27.687 -16.887 3.577 1.00 0.00 WAT +ATOM 35136 H1 TIP3 9609 26.818 -17.265 3.337 1.00 0.00 WAT +ATOM 35137 H2 TIP3 9609 28.099 -17.625 4.069 1.00 0.00 WAT +ATOM 35138 OH2 TIP3 9610 16.362 -23.662 3.968 1.00 0.00 WAT +ATOM 35139 H1 TIP3 9610 16.192 -23.553 3.000 1.00 0.00 WAT +ATOM 35140 H2 TIP3 9610 15.775 -24.397 4.196 1.00 0.00 WAT +ATOM 35141 OH2 TIP3 9611 27.680 -8.905 -5.306 1.00 0.00 WAT +ATOM 35142 H1 TIP3 9611 28.134 -9.540 -4.755 1.00 0.00 WAT +ATOM 35143 H2 TIP3 9611 28.386 -8.584 -5.893 1.00 0.00 WAT +ATOM 35144 OH2 TIP3 9612 26.449 -13.457 9.359 1.00 0.00 WAT +ATOM 35145 H1 TIP3 9612 27.089 -12.935 8.862 1.00 0.00 WAT +ATOM 35146 H2 TIP3 9612 25.670 -12.885 9.319 1.00 0.00 WAT +ATOM 35147 OH2 TIP3 9613 15.054 -16.483 11.710 1.00 0.00 WAT +ATOM 35148 H1 TIP3 9613 15.949 -16.833 11.655 1.00 0.00 WAT +ATOM 35149 H2 TIP3 9613 15.154 -15.793 12.376 1.00 0.00 WAT +ATOM 35150 OH2 TIP3 9614 19.315 -16.920 9.236 1.00 0.00 WAT +ATOM 35151 H1 TIP3 9614 18.614 -16.318 9.516 1.00 0.00 WAT +ATOM 35152 H2 TIP3 9614 19.494 -16.643 8.333 1.00 0.00 WAT +ATOM 35153 OH2 TIP3 9615 24.690 -14.832 13.238 1.00 0.00 WAT +ATOM 35154 H1 TIP3 9615 25.085 -14.394 12.477 1.00 0.00 WAT +ATOM 35155 H2 TIP3 9615 23.984 -15.335 12.827 1.00 0.00 WAT +ATOM 35156 OH2 TIP3 9616 30.316 -14.422 -5.508 1.00 0.00 WAT +ATOM 35157 H1 TIP3 9616 30.212 -14.852 -6.371 1.00 0.00 WAT +ATOM 35158 H2 TIP3 9616 30.219 -13.475 -5.757 1.00 0.00 WAT +ATOM 35159 OH2 TIP3 9617 19.691 -19.880 10.260 1.00 0.00 WAT +ATOM 35160 H1 TIP3 9617 19.702 -20.560 9.562 1.00 0.00 WAT +ATOM 35161 H2 TIP3 9617 19.493 -19.081 9.746 1.00 0.00 WAT +ATOM 35162 OH2 TIP3 9618 19.990 -21.480 7.710 1.00 0.00 WAT +ATOM 35163 H1 TIP3 9618 20.498 -20.942 7.080 1.00 0.00 WAT +ATOM 35164 H2 TIP3 9618 19.075 -21.391 7.367 1.00 0.00 WAT +ATOM 35165 OH2 TIP3 9619 26.130 -18.124 12.849 1.00 0.00 WAT +ATOM 35166 H1 TIP3 9619 26.368 -19.040 13.049 1.00 0.00 WAT +ATOM 35167 H2 TIP3 9619 26.983 -17.668 12.887 1.00 0.00 WAT +ATOM 35168 OH2 TIP3 9620 27.119 -15.240 11.306 1.00 0.00 WAT +ATOM 35169 H1 TIP3 9620 26.713 -14.571 10.713 1.00 0.00 WAT +ATOM 35170 H2 TIP3 9620 27.994 -15.336 10.890 1.00 0.00 WAT +ATOM 35171 OH2 TIP3 9621 17.824 -18.037 12.079 1.00 0.00 WAT +ATOM 35172 H1 TIP3 9621 17.253 -18.826 12.068 1.00 0.00 WAT +ATOM 35173 H2 TIP3 9621 18.615 -18.364 11.629 1.00 0.00 WAT +ATOM 35174 OH2 TIP3 9622 20.711 -24.137 8.108 1.00 0.00 WAT +ATOM 35175 H1 TIP3 9622 20.545 -23.186 7.923 1.00 0.00 WAT +ATOM 35176 H2 TIP3 9622 20.031 -24.551 7.544 1.00 0.00 WAT +ATOM 35177 OH2 TIP3 9623 21.999 -19.603 11.861 1.00 0.00 WAT +ATOM 35178 H1 TIP3 9623 21.610 -19.754 12.740 1.00 0.00 WAT +ATOM 35179 H2 TIP3 9623 21.195 -19.740 11.312 1.00 0.00 WAT +ATOM 35180 OH2 TIP3 9624 24.529 -20.499 10.732 1.00 0.00 WAT +ATOM 35181 H1 TIP3 9624 23.639 -20.419 11.130 1.00 0.00 WAT +ATOM 35182 H2 TIP3 9624 24.957 -21.133 11.334 1.00 0.00 WAT +ATOM 35183 OH2 TIP3 9625 26.459 -22.043 12.517 1.00 0.00 WAT +ATOM 35184 H1 TIP3 9625 26.208 -22.980 12.636 1.00 0.00 WAT +ATOM 35185 H2 TIP3 9625 26.168 -21.626 13.349 1.00 0.00 WAT +ATOM 35186 OH2 TIP3 9626 16.614 -20.635 11.939 1.00 0.00 WAT +ATOM 35187 H1 TIP3 9626 16.331 -21.259 11.252 1.00 0.00 WAT +ATOM 35188 H2 TIP3 9626 16.182 -21.007 12.725 1.00 0.00 WAT +ATOM 35189 OH2 TIP3 9627 20.558 -24.653 10.913 1.00 0.00 WAT +ATOM 35190 H1 TIP3 9627 21.162 -25.412 10.944 1.00 0.00 WAT +ATOM 35191 H2 TIP3 9627 20.511 -24.492 9.949 1.00 0.00 WAT +ATOM 35192 OH2 TIP3 9628 21.498 -22.798 12.788 1.00 0.00 WAT +ATOM 35193 H1 TIP3 9628 21.201 -23.374 12.054 1.00 0.00 WAT +ATOM 35194 H2 TIP3 9628 20.827 -22.096 12.780 1.00 0.00 WAT +ATOM 35195 OH2 TIP3 9629 29.401 -12.022 12.792 1.00 0.00 WAT +ATOM 35196 H1 TIP3 9629 28.451 -11.923 12.995 1.00 0.00 WAT +ATOM 35197 H2 TIP3 9629 29.737 -11.150 13.039 1.00 0.00 WAT +ATOM 35198 OH2 TIP3 9630 31.318 -15.177 0.137 1.00 0.00 WAT +ATOM 35199 H1 TIP3 9630 30.523 -15.603 0.520 1.00 0.00 WAT +ATOM 35200 H2 TIP3 9630 31.840 -14.952 0.928 1.00 0.00 WAT +ATOM 35201 OH2 TIP3 9631 31.480 -15.481 -3.039 1.00 0.00 WAT +ATOM 35202 H1 TIP3 9631 30.899 -15.198 -3.774 1.00 0.00 WAT +ATOM 35203 H2 TIP3 9631 31.259 -14.848 -2.346 1.00 0.00 WAT +ATOM 35204 OH2 TIP3 9632 29.775 -18.141 -4.752 1.00 0.00 WAT +ATOM 35205 H1 TIP3 9632 29.934 -17.542 -5.493 1.00 0.00 WAT +ATOM 35206 H2 TIP3 9632 29.458 -18.948 -5.208 1.00 0.00 WAT +ATOM 35207 OH2 TIP3 9633 29.151 -16.857 1.160 1.00 0.00 WAT +ATOM 35208 H1 TIP3 9633 29.031 -17.801 0.964 1.00 0.00 WAT +ATOM 35209 H2 TIP3 9633 28.696 -16.774 2.025 1.00 0.00 WAT +ATOM 35210 OH2 TIP3 9634 29.737 -15.033 10.304 1.00 0.00 WAT +ATOM 35211 H1 TIP3 9634 30.513 -15.603 10.424 1.00 0.00 WAT +ATOM 35212 H2 TIP3 9634 30.123 -14.157 10.158 1.00 0.00 WAT +ATOM 35213 OH2 TIP3 9635 31.584 -16.908 11.383 1.00 0.00 WAT +ATOM 35214 H1 TIP3 9635 30.680 -17.276 11.282 1.00 0.00 WAT +ATOM 35215 H2 TIP3 9635 32.084 -17.741 11.458 1.00 0.00 WAT +ATOM 35216 OH2 TIP3 9636 29.164 -20.775 -5.549 1.00 0.00 WAT +ATOM 35217 H1 TIP3 9636 29.695 -21.311 -4.940 1.00 0.00 WAT +ATOM 35218 H2 TIP3 9636 28.344 -21.285 -5.655 1.00 0.00 WAT +ATOM 35219 OH2 TIP3 9637 29.023 -19.455 -0.565 1.00 0.00 WAT +ATOM 35220 H1 TIP3 9637 29.221 -20.414 -0.542 1.00 0.00 WAT +ATOM 35221 H2 TIP3 9637 29.810 -19.121 -1.026 1.00 0.00 WAT +ATOM 35222 OH2 TIP3 9638 29.186 -18.937 4.815 1.00 0.00 WAT +ATOM 35223 H1 TIP3 9638 30.144 -18.773 4.812 1.00 0.00 WAT +ATOM 35224 H2 TIP3 9638 28.994 -18.857 5.765 1.00 0.00 WAT +ATOM 35225 OH2 TIP3 9639 29.381 -18.146 7.614 1.00 0.00 WAT +ATOM 35226 H1 TIP3 9639 28.499 -17.830 7.891 1.00 0.00 WAT +ATOM 35227 H2 TIP3 9639 29.860 -17.313 7.509 1.00 0.00 WAT +ATOM 35228 OH2 TIP3 9640 13.637 -19.249 11.699 1.00 0.00 WAT +ATOM 35229 H1 TIP3 9640 14.425 -19.183 11.150 1.00 0.00 WAT +ATOM 35230 H2 TIP3 9640 13.064 -19.824 11.177 1.00 0.00 WAT +ATOM 35231 OH2 TIP3 9641 31.970 -24.021 12.958 1.00 0.00 WAT +ATOM 35232 H1 TIP3 9641 32.333 -24.733 12.398 1.00 0.00 WAT +ATOM 35233 H2 TIP3 9641 31.944 -23.268 12.336 1.00 0.00 WAT +ATOM 35234 OH2 TIP3 9642 29.454 -22.292 -0.626 1.00 0.00 WAT +ATOM 35235 H1 TIP3 9642 29.469 -22.610 0.290 1.00 0.00 WAT +ATOM 35236 H2 TIP3 9642 28.663 -22.763 -0.968 1.00 0.00 WAT +ATOM 35237 OH2 TIP3 9643 14.565 -21.214 4.203 1.00 0.00 WAT +ATOM 35238 H1 TIP3 9643 15.100 -22.025 4.198 1.00 0.00 WAT +ATOM 35239 H2 TIP3 9643 15.263 -20.557 4.371 1.00 0.00 WAT +ATOM 35240 OH2 TIP3 9644 13.487 -18.213 5.085 1.00 0.00 WAT +ATOM 35241 H1 TIP3 9644 13.769 -18.427 4.187 1.00 0.00 WAT +ATOM 35242 H2 TIP3 9644 13.818 -17.314 5.179 1.00 0.00 WAT +ATOM 35243 OH2 TIP3 9645 31.297 -22.000 11.178 1.00 0.00 WAT +ATOM 35244 H1 TIP3 9645 30.416 -21.584 11.229 1.00 0.00 WAT +ATOM 35245 H2 TIP3 9645 31.167 -22.553 10.385 1.00 0.00 WAT +ATOM 35246 OH2 TIP3 9646 31.436 -21.850 -3.905 1.00 0.00 WAT +ATOM 35247 H1 TIP3 9646 31.700 -22.616 -4.443 1.00 0.00 WAT +ATOM 35248 H2 TIP3 9646 32.220 -21.284 -3.955 1.00 0.00 WAT +ATOM 35249 OH2 TIP3 9647 13.534 -22.114 -0.878 1.00 0.00 WAT +ATOM 35250 H1 TIP3 9647 12.622 -21.919 -1.152 1.00 0.00 WAT +ATOM 35251 H2 TIP3 9647 14.053 -21.501 -1.413 1.00 0.00 WAT +ATOM 35252 OH2 TIP3 9648 13.685 -23.128 7.339 1.00 0.00 WAT +ATOM 35253 H1 TIP3 9648 12.979 -23.506 7.876 1.00 0.00 WAT +ATOM 35254 H2 TIP3 9648 13.179 -22.584 6.703 1.00 0.00 WAT +ATOM 35255 OH2 TIP3 9649 30.178 -23.760 9.158 1.00 0.00 WAT +ATOM 35256 H1 TIP3 9649 29.367 -23.559 8.656 1.00 0.00 WAT +ATOM 35257 H2 TIP3 9649 30.378 -24.659 8.825 1.00 0.00 WAT +ATOM 35258 OH2 TIP3 9650 23.684 -22.298 3.730 1.00 0.00 WAT +ATOM 35259 H1 TIP3 9650 22.896 -22.869 3.801 1.00 0.00 WAT +ATOM 35260 H2 TIP3 9650 24.082 -22.626 2.914 1.00 0.00 WAT +ATOM 35261 OH2 TIP3 9651 28.550 -24.242 4.103 1.00 0.00 WAT +ATOM 35262 H1 TIP3 9651 29.286 -23.790 3.656 1.00 0.00 WAT +ATOM 35263 H2 TIP3 9651 27.785 -23.987 3.549 1.00 0.00 WAT +ATOM 35264 OH2 TIP3 9652 30.692 -23.165 2.033 1.00 0.00 WAT +ATOM 35265 H1 TIP3 9652 31.343 -23.547 1.418 1.00 0.00 WAT +ATOM 35266 H2 TIP3 9652 30.915 -22.219 2.031 1.00 0.00 WAT +ATOM 35267 OH2 TIP3 9653 15.926 -23.492 1.319 1.00 0.00 WAT +ATOM 35268 H1 TIP3 9653 15.240 -23.461 0.631 1.00 0.00 WAT +ATOM 35269 H2 TIP3 9653 16.674 -23.865 0.840 1.00 0.00 WAT +ATOM 35270 OH2 TIP3 9654 14.780 -24.047 -2.984 1.00 0.00 WAT +ATOM 35271 H1 TIP3 9654 15.272 -23.362 -3.474 1.00 0.00 WAT +ATOM 35272 H2 TIP3 9654 14.283 -23.499 -2.349 1.00 0.00 WAT +ATOM 35273 OH2 TIP3 9655 20.546 -23.959 1.059 1.00 0.00 WAT +ATOM 35274 H1 TIP3 9655 21.322 -23.386 0.960 1.00 0.00 WAT +ATOM 35275 H2 TIP3 9655 20.292 -23.765 1.966 1.00 0.00 WAT +ATOM 35276 OH2 TIP3 9656 26.154 -23.730 2.510 1.00 0.00 WAT +ATOM 35277 H1 TIP3 9656 26.215 -23.802 1.549 1.00 0.00 WAT +ATOM 35278 H2 TIP3 9656 25.604 -24.504 2.732 1.00 0.00 WAT +ATOM 35279 OH2 TIP3 9657 27.160 -23.693 -1.559 1.00 0.00 WAT +ATOM 35280 H1 TIP3 9657 26.358 -23.132 -1.637 1.00 0.00 WAT +ATOM 35281 H2 TIP3 9657 26.757 -24.571 -1.443 1.00 0.00 WAT +ATOM 35282 OH2 TIP3 9658 16.571 -22.203 -4.581 1.00 0.00 WAT +ATOM 35283 H1 TIP3 9658 17.247 -22.743 -5.024 1.00 0.00 WAT +ATOM 35284 H2 TIP3 9658 17.085 -21.857 -3.821 1.00 0.00 WAT +ATOM 35285 OH2 TIP3 9659 21.701 -22.140 -1.960 1.00 0.00 WAT +ATOM 35286 H1 TIP3 9659 21.818 -22.636 -1.142 1.00 0.00 WAT +ATOM 35287 H2 TIP3 9659 21.611 -21.234 -1.627 1.00 0.00 WAT +ATOM 35288 OH2 TIP3 9660 15.749 -23.301 10.672 1.00 0.00 WAT +ATOM 35289 H1 TIP3 9660 15.360 -24.109 11.049 1.00 0.00 WAT +ATOM 35290 H2 TIP3 9660 16.672 -23.382 10.957 1.00 0.00 WAT +ATOM 35291 OH2 TIP3 9661 18.156 -23.924 12.470 1.00 0.00 WAT +ATOM 35292 H1 TIP3 9661 18.964 -24.274 12.043 1.00 0.00 WAT +ATOM 35293 H2 TIP3 9661 17.782 -24.729 12.859 1.00 0.00 WAT +ATOM 35294 OH2 TIP3 9662 26.251 -24.837 12.615 1.00 0.00 WAT +ATOM 35295 H1 TIP3 9662 26.297 -25.239 13.503 1.00 0.00 WAT +ATOM 35296 H2 TIP3 9662 27.187 -24.856 12.346 1.00 0.00 WAT +ATOM 35297 OH2 TIP3 9663 42.091 -15.659 4.529 1.00 0.00 WAT +ATOM 35298 H1 TIP3 9663 42.826 -15.474 5.143 1.00 0.00 WAT +ATOM 35299 H2 TIP3 9663 42.571 -15.730 3.698 1.00 0.00 WAT +ATOM 35300 OH2 TIP3 9664 35.194 -15.901 6.675 1.00 0.00 WAT +ATOM 35301 H1 TIP3 9664 35.703 -16.479 7.239 1.00 0.00 WAT +ATOM 35302 H2 TIP3 9664 35.827 -15.201 6.472 1.00 0.00 WAT +ATOM 35303 OH2 TIP3 9665 35.928 -11.092 4.594 1.00 0.00 WAT +ATOM 35304 H1 TIP3 9665 35.605 -12.000 4.463 1.00 0.00 WAT +ATOM 35305 H2 TIP3 9665 36.868 -11.238 4.775 1.00 0.00 WAT +ATOM 35306 OH2 TIP3 9666 32.794 -17.685 0.122 1.00 0.00 WAT +ATOM 35307 H1 TIP3 9666 32.330 -16.829 0.113 1.00 0.00 WAT +ATOM 35308 H2 TIP3 9666 32.130 -18.252 -0.293 1.00 0.00 WAT +ATOM 35309 OH2 TIP3 9667 33.558 -15.187 2.007 1.00 0.00 WAT +ATOM 35310 H1 TIP3 9667 33.604 -16.051 2.457 1.00 0.00 WAT +ATOM 35311 H2 TIP3 9667 34.324 -15.232 1.429 1.00 0.00 WAT +ATOM 35312 OH2 TIP3 9668 41.218 -12.883 5.176 1.00 0.00 WAT +ATOM 35313 H1 TIP3 9668 41.533 -13.653 4.670 1.00 0.00 WAT +ATOM 35314 H2 TIP3 9668 42.037 -12.589 5.598 1.00 0.00 WAT +ATOM 35315 OH2 TIP3 9669 37.428 -20.489 2.668 1.00 0.00 WAT +ATOM 35316 H1 TIP3 9669 37.549 -19.655 2.181 1.00 0.00 WAT +ATOM 35317 H2 TIP3 9669 37.107 -21.062 1.943 1.00 0.00 WAT +ATOM 35318 OH2 TIP3 9670 34.195 -17.721 3.167 1.00 0.00 WAT +ATOM 35319 H1 TIP3 9670 34.704 -18.339 3.713 1.00 0.00 WAT +ATOM 35320 H2 TIP3 9670 34.122 -18.211 2.330 1.00 0.00 WAT +ATOM 35321 OH2 TIP3 9671 39.520 -16.432 2.551 1.00 0.00 WAT +ATOM 35322 H1 TIP3 9671 40.259 -16.916 2.981 1.00 0.00 WAT +ATOM 35323 H2 TIP3 9671 38.999 -17.174 2.194 1.00 0.00 WAT +ATOM 35324 OH2 TIP3 9672 36.275 -21.715 6.815 1.00 0.00 WAT +ATOM 35325 H1 TIP3 9672 35.817 -21.319 6.061 1.00 0.00 WAT +ATOM 35326 H2 TIP3 9672 35.607 -21.581 7.517 1.00 0.00 WAT +ATOM 35327 OH2 TIP3 9673 39.101 -13.888 6.930 1.00 0.00 WAT +ATOM 35328 H1 TIP3 9673 38.425 -13.231 7.198 1.00 0.00 WAT +ATOM 35329 H2 TIP3 9673 39.811 -13.313 6.587 1.00 0.00 WAT +ATOM 35330 OH2 TIP3 9674 35.856 -19.663 4.760 1.00 0.00 WAT +ATOM 35331 H1 TIP3 9674 36.561 -19.106 5.135 1.00 0.00 WAT +ATOM 35332 H2 TIP3 9674 36.360 -20.093 4.033 1.00 0.00 WAT +ATOM 35333 OH2 TIP3 9675 37.101 -12.012 7.680 1.00 0.00 WAT +ATOM 35334 H1 TIP3 9675 37.145 -11.119 7.293 1.00 0.00 WAT +ATOM 35335 H2 TIP3 9675 36.230 -11.947 8.122 1.00 0.00 WAT +ATOM 35336 OH2 TIP3 9676 40.445 -24.260 3.978 1.00 0.00 WAT +ATOM 35337 H1 TIP3 9676 40.175 -25.198 3.952 1.00 0.00 WAT +ATOM 35338 H2 TIP3 9676 39.635 -23.840 4.338 1.00 0.00 WAT +ATOM 35339 OH2 TIP3 9677 42.777 -16.903 -4.361 1.00 0.00 WAT +ATOM 35340 H1 TIP3 9677 43.315 -17.146 -3.579 1.00 0.00 WAT +ATOM 35341 H2 TIP3 9677 42.848 -17.704 -4.895 1.00 0.00 WAT +ATOM 35342 OH2 TIP3 9678 37.682 -14.530 1.452 1.00 0.00 WAT +ATOM 35343 H1 TIP3 9678 37.184 -15.001 0.758 1.00 0.00 WAT +ATOM 35344 H2 TIP3 9678 38.151 -15.246 1.921 1.00 0.00 WAT +ATOM 35345 OH2 TIP3 9679 38.959 -11.199 4.352 1.00 0.00 WAT +ATOM 35346 H1 TIP3 9679 38.901 -11.510 3.441 1.00 0.00 WAT +ATOM 35347 H2 TIP3 9679 39.794 -11.602 4.657 1.00 0.00 WAT +ATOM 35348 OH2 TIP3 9680 38.099 -15.761 5.074 1.00 0.00 WAT +ATOM 35349 H1 TIP3 9680 38.713 -15.735 4.317 1.00 0.00 WAT +ATOM 35350 H2 TIP3 9680 38.497 -15.084 5.662 1.00 0.00 WAT +ATOM 35351 OH2 TIP3 9681 38.995 -11.394 9.890 1.00 0.00 WAT +ATOM 35352 H1 TIP3 9681 38.512 -10.691 10.358 1.00 0.00 WAT +ATOM 35353 H2 TIP3 9681 38.374 -11.599 9.167 1.00 0.00 WAT +ATOM 35354 OH2 TIP3 9682 42.394 -9.294 0.791 1.00 0.00 WAT +ATOM 35355 H1 TIP3 9682 42.972 -8.835 1.427 1.00 0.00 WAT +ATOM 35356 H2 TIP3 9682 42.019 -8.549 0.302 1.00 0.00 WAT +ATOM 35357 OH2 TIP3 9683 37.100 -9.208 10.712 1.00 0.00 WAT +ATOM 35358 H1 TIP3 9683 37.035 -9.141 9.741 1.00 0.00 WAT +ATOM 35359 H2 TIP3 9683 36.195 -9.458 10.973 1.00 0.00 WAT +ATOM 35360 OH2 TIP3 9684 36.834 -15.608 -1.026 1.00 0.00 WAT +ATOM 35361 H1 TIP3 9684 36.359 -14.918 -1.536 1.00 0.00 WAT +ATOM 35362 H2 TIP3 9684 36.261 -16.376 -1.210 1.00 0.00 WAT +ATOM 35363 OH2 TIP3 9685 32.608 -13.276 7.839 1.00 0.00 WAT +ATOM 35364 H1 TIP3 9685 32.288 -13.135 6.935 1.00 0.00 WAT +ATOM 35365 H2 TIP3 9685 32.452 -14.234 7.914 1.00 0.00 WAT +ATOM 35366 OH2 TIP3 9686 41.745 -10.372 9.406 1.00 0.00 WAT +ATOM 35367 H1 TIP3 9686 41.818 -9.464 9.733 1.00 0.00 WAT +ATOM 35368 H2 TIP3 9686 40.821 -10.612 9.592 1.00 0.00 WAT +ATOM 35369 OH2 TIP3 9687 41.833 -6.554 -0.738 1.00 0.00 WAT +ATOM 35370 H1 TIP3 9687 42.050 -6.479 -1.679 1.00 0.00 WAT +ATOM 35371 H2 TIP3 9687 42.054 -5.682 -0.383 1.00 0.00 WAT +ATOM 35372 OH2 TIP3 9688 34.698 -11.504 9.003 1.00 0.00 WAT +ATOM 35373 H1 TIP3 9688 34.957 -11.983 9.809 1.00 0.00 WAT +ATOM 35374 H2 TIP3 9688 33.959 -12.040 8.666 1.00 0.00 WAT +ATOM 35375 OH2 TIP3 9689 37.982 -23.063 4.800 1.00 0.00 WAT +ATOM 35376 H1 TIP3 9689 37.169 -23.178 4.277 1.00 0.00 WAT +ATOM 35377 H2 TIP3 9689 37.694 -22.371 5.414 1.00 0.00 WAT +ATOM 35378 OH2 TIP3 9690 42.322 -23.731 9.082 1.00 0.00 WAT +ATOM 35379 H1 TIP3 9690 42.461 -24.446 9.721 1.00 0.00 WAT +ATOM 35380 H2 TIP3 9690 41.416 -23.934 8.772 1.00 0.00 WAT +ATOM 35381 OH2 TIP3 9691 42.333 -20.949 -4.166 1.00 0.00 WAT +ATOM 35382 H1 TIP3 9691 41.700 -21.150 -3.461 1.00 0.00 WAT +ATOM 35383 H2 TIP3 9691 42.045 -21.573 -4.849 1.00 0.00 WAT +ATOM 35384 OH2 TIP3 9692 37.840 -18.290 6.344 1.00 0.00 WAT +ATOM 35385 H1 TIP3 9692 37.058 -18.279 6.903 1.00 0.00 WAT +ATOM 35386 H2 TIP3 9692 37.867 -17.393 5.946 1.00 0.00 WAT +ATOM 35387 OH2 TIP3 9693 37.711 -18.133 1.051 1.00 0.00 WAT +ATOM 35388 H1 TIP3 9693 36.758 -18.328 0.942 1.00 0.00 WAT +ATOM 35389 H2 TIP3 9693 38.056 -18.471 0.196 1.00 0.00 WAT +ATOM 35390 OH2 TIP3 9694 -43.464 -17.804 -1.905 1.00 0.00 WAT +ATOM 35391 H1 TIP3 9694 -43.947 -17.094 -1.475 1.00 0.00 WAT +ATOM 35392 H2 TIP3 9694 -42.711 -17.890 -1.293 1.00 0.00 WAT +ATOM 35393 OH2 TIP3 9695 42.475 -17.395 11.454 1.00 0.00 WAT +ATOM 35394 H1 TIP3 9695 41.955 -18.219 11.591 1.00 0.00 WAT +ATOM 35395 H2 TIP3 9695 43.369 -17.790 11.425 1.00 0.00 WAT +ATOM 35396 OH2 TIP3 9696 38.656 -20.472 -5.323 1.00 0.00 WAT +ATOM 35397 H1 TIP3 9696 38.209 -20.891 -4.563 1.00 0.00 WAT +ATOM 35398 H2 TIP3 9696 37.914 -20.299 -5.920 1.00 0.00 WAT +ATOM 35399 OH2 TIP3 9697 32.079 -20.543 1.695 1.00 0.00 WAT +ATOM 35400 H1 TIP3 9697 32.627 -20.760 2.469 1.00 0.00 WAT +ATOM 35401 H2 TIP3 9697 32.459 -21.068 0.971 1.00 0.00 WAT +ATOM 35402 OH2 TIP3 9698 33.636 -20.192 -2.538 1.00 0.00 WAT +ATOM 35403 H1 TIP3 9698 34.121 -19.729 -3.251 1.00 0.00 WAT +ATOM 35404 H2 TIP3 9698 32.885 -19.587 -2.404 1.00 0.00 WAT +ATOM 35405 OH2 TIP3 9699 43.398 -16.838 7.489 1.00 0.00 WAT +ATOM 35406 H1 TIP3 9699 43.784 -17.447 6.826 1.00 0.00 WAT +ATOM 35407 H2 TIP3 9699 42.739 -17.426 7.883 1.00 0.00 WAT +ATOM 35408 OH2 TIP3 9700 40.503 -20.772 2.117 1.00 0.00 WAT +ATOM 35409 H1 TIP3 9700 39.562 -20.781 2.355 1.00 0.00 WAT +ATOM 35410 H2 TIP3 9700 40.911 -20.706 2.996 1.00 0.00 WAT +ATOM 35411 OH2 TIP3 9701 35.135 -19.350 0.763 1.00 0.00 WAT +ATOM 35412 H1 TIP3 9701 34.261 -19.126 0.393 1.00 0.00 WAT +ATOM 35413 H2 TIP3 9701 35.342 -20.190 0.315 1.00 0.00 WAT +ATOM 35414 OH2 TIP3 9702 38.730 -18.965 -1.444 1.00 0.00 WAT +ATOM 35415 H1 TIP3 9702 39.699 -18.988 -1.514 1.00 0.00 WAT +ATOM 35416 H2 TIP3 9702 38.431 -18.569 -2.288 1.00 0.00 WAT +ATOM 35417 OH2 TIP3 9703 37.244 -17.843 -3.682 1.00 0.00 WAT +ATOM 35418 H1 TIP3 9703 36.619 -18.103 -4.383 1.00 0.00 WAT +ATOM 35419 H2 TIP3 9703 37.986 -17.524 -4.217 1.00 0.00 WAT +ATOM 35420 OH2 TIP3 9704 35.820 -13.454 11.017 1.00 0.00 WAT +ATOM 35421 H1 TIP3 9704 36.509 -13.267 11.680 1.00 0.00 WAT +ATOM 35422 H2 TIP3 9704 35.019 -13.353 11.567 1.00 0.00 WAT +ATOM 35423 OH2 TIP3 9705 41.457 -18.422 3.494 1.00 0.00 WAT +ATOM 35424 H1 TIP3 9705 42.245 -18.882 3.183 1.00 0.00 WAT +ATOM 35425 H2 TIP3 9705 41.584 -18.500 4.457 1.00 0.00 WAT +ATOM 35426 OH2 TIP3 9706 36.863 -21.680 0.158 1.00 0.00 WAT +ATOM 35427 H1 TIP3 9706 36.237 -22.415 0.286 1.00 0.00 WAT +ATOM 35428 H2 TIP3 9706 37.617 -22.129 -0.243 1.00 0.00 WAT +ATOM 35429 OH2 TIP3 9707 40.455 -19.700 6.230 1.00 0.00 WAT +ATOM 35430 H1 TIP3 9707 39.736 -19.049 6.179 1.00 0.00 WAT +ATOM 35431 H2 TIP3 9707 41.017 -19.329 6.933 1.00 0.00 WAT +ATOM 35432 OH2 TIP3 9708 41.867 -13.404 9.371 1.00 0.00 WAT +ATOM 35433 H1 TIP3 9708 41.947 -13.481 10.323 1.00 0.00 WAT +ATOM 35434 H2 TIP3 9708 42.143 -12.488 9.199 1.00 0.00 WAT +ATOM 35435 OH2 TIP3 9709 35.780 -13.959 4.070 1.00 0.00 WAT +ATOM 35436 H1 TIP3 9709 36.237 -13.878 3.222 1.00 0.00 WAT +ATOM 35437 H2 TIP3 9709 35.953 -14.880 4.296 1.00 0.00 WAT +ATOM 35438 OH2 TIP3 9710 42.660 -12.105 -2.785 1.00 0.00 WAT +ATOM 35439 H1 TIP3 9710 42.539 -11.161 -2.557 1.00 0.00 WAT +ATOM 35440 H2 TIP3 9710 41.745 -12.399 -2.773 1.00 0.00 WAT +ATOM 35441 OH2 TIP3 9711 39.919 -16.218 10.996 1.00 0.00 WAT +ATOM 35442 H1 TIP3 9711 39.954 -16.271 10.023 1.00 0.00 WAT +ATOM 35443 H2 TIP3 9711 40.863 -16.375 11.192 1.00 0.00 WAT +ATOM 35444 OH2 TIP3 9712 38.167 -10.615 1.129 1.00 0.00 WAT +ATOM 35445 H1 TIP3 9712 38.591 -9.744 1.143 1.00 0.00 WAT +ATOM 35446 H2 TIP3 9712 37.239 -10.358 1.077 1.00 0.00 WAT +ATOM 35447 OH2 TIP3 9713 34.081 -15.777 -4.156 1.00 0.00 WAT +ATOM 35448 H1 TIP3 9713 34.601 -15.045 -3.797 1.00 0.00 WAT +ATOM 35449 H2 TIP3 9713 33.177 -15.538 -3.857 1.00 0.00 WAT +ATOM 35450 OH2 TIP3 9714 39.810 -13.128 0.332 1.00 0.00 WAT +ATOM 35451 H1 TIP3 9714 39.976 -12.196 0.566 1.00 0.00 WAT +ATOM 35452 H2 TIP3 9714 39.180 -13.353 1.046 1.00 0.00 WAT +ATOM 35453 OH2 TIP3 9715 40.208 -8.574 7.186 1.00 0.00 WAT +ATOM 35454 H1 TIP3 9715 40.769 -7.852 6.827 1.00 0.00 WAT +ATOM 35455 H2 TIP3 9715 40.871 -9.089 7.665 1.00 0.00 WAT +ATOM 35456 OH2 TIP3 9716 38.274 -7.586 0.358 1.00 0.00 WAT +ATOM 35457 H1 TIP3 9716 37.383 -7.430 0.678 1.00 0.00 WAT +ATOM 35458 H2 TIP3 9716 38.728 -6.761 0.627 1.00 0.00 WAT +ATOM 35459 OH2 TIP3 9717 34.460 -20.722 8.805 1.00 0.00 WAT +ATOM 35460 H1 TIP3 9717 33.561 -20.444 8.532 1.00 0.00 WAT +ATOM 35461 H2 TIP3 9717 34.283 -21.595 9.191 1.00 0.00 WAT +ATOM 35462 OH2 TIP3 9718 34.265 -8.999 7.086 1.00 0.00 WAT +ATOM 35463 H1 TIP3 9718 34.427 -9.946 7.046 1.00 0.00 WAT +ATOM 35464 H2 TIP3 9718 34.381 -8.807 8.016 1.00 0.00 WAT +ATOM 35465 OH2 TIP3 9719 39.944 -10.483 -5.746 1.00 0.00 WAT +ATOM 35466 H1 TIP3 9719 40.255 -11.196 -6.336 1.00 0.00 WAT +ATOM 35467 H2 TIP3 9719 39.646 -10.999 -4.984 1.00 0.00 WAT +ATOM 35468 OH2 TIP3 9720 39.254 -11.359 -2.767 1.00 0.00 WAT +ATOM 35469 H1 TIP3 9720 39.246 -11.512 -1.819 1.00 0.00 WAT +ATOM 35470 H2 TIP3 9720 39.159 -10.388 -2.789 1.00 0.00 WAT +ATOM 35471 OH2 TIP3 9721 35.544 -13.367 -2.436 1.00 0.00 WAT +ATOM 35472 H1 TIP3 9721 34.707 -13.010 -2.112 1.00 0.00 WAT +ATOM 35473 H2 TIP3 9721 35.914 -12.575 -2.876 1.00 0.00 WAT +ATOM 35474 OH2 TIP3 9722 43.316 -20.664 7.923 1.00 0.00 WAT +ATOM 35475 H1 TIP3 9722 43.936 -21.388 8.055 1.00 0.00 WAT +ATOM 35476 H2 TIP3 9722 42.725 -21.055 7.265 1.00 0.00 WAT +ATOM 35477 OH2 TIP3 9723 41.690 -9.428 -2.525 1.00 0.00 WAT +ATOM 35478 H1 TIP3 9723 40.913 -8.898 -2.276 1.00 0.00 WAT +ATOM 35479 H2 TIP3 9723 42.154 -8.816 -3.105 1.00 0.00 WAT +ATOM 35480 OH2 TIP3 9724 41.367 -19.466 -0.322 1.00 0.00 WAT +ATOM 35481 H1 TIP3 9724 42.324 -19.394 -0.229 1.00 0.00 WAT +ATOM 35482 H2 TIP3 9724 41.108 -19.829 0.549 1.00 0.00 WAT +ATOM 35483 OH2 TIP3 9725 41.644 -18.739 8.773 1.00 0.00 WAT +ATOM 35484 H1 TIP3 9725 41.891 -18.305 9.601 1.00 0.00 WAT +ATOM 35485 H2 TIP3 9725 42.300 -19.467 8.711 1.00 0.00 WAT +ATOM 35486 OH2 TIP3 9726 41.925 -22.693 0.740 1.00 0.00 WAT +ATOM 35487 H1 TIP3 9726 41.679 -21.909 1.280 1.00 0.00 WAT +ATOM 35488 H2 TIP3 9726 42.723 -22.384 0.272 1.00 0.00 WAT +ATOM 35489 OH2 TIP3 9727 38.890 -8.411 -2.434 1.00 0.00 WAT +ATOM 35490 H1 TIP3 9727 38.906 -7.601 -2.987 1.00 0.00 WAT +ATOM 35491 H2 TIP3 9727 38.733 -8.031 -1.548 1.00 0.00 WAT +ATOM 35492 OH2 TIP3 9728 37.680 -21.624 -3.001 1.00 0.00 WAT +ATOM 35493 H1 TIP3 9728 37.655 -20.896 -2.361 1.00 0.00 WAT +ATOM 35494 H2 TIP3 9728 38.469 -22.127 -2.743 1.00 0.00 WAT +ATOM 35495 OH2 TIP3 9729 36.223 -10.847 -3.738 1.00 0.00 WAT +ATOM 35496 H1 TIP3 9729 36.845 -10.124 -3.568 1.00 0.00 WAT +ATOM 35497 H2 TIP3 9729 36.635 -11.262 -4.514 1.00 0.00 WAT +ATOM 35498 OH2 TIP3 9730 34.239 -18.554 -4.751 1.00 0.00 WAT +ATOM 35499 H1 TIP3 9730 34.288 -17.604 -4.535 1.00 0.00 WAT +ATOM 35500 H2 TIP3 9730 33.413 -18.607 -5.254 1.00 0.00 WAT +ATOM 35501 OH2 TIP3 9731 35.170 -23.517 4.006 1.00 0.00 WAT +ATOM 35502 H1 TIP3 9731 34.983 -23.551 3.045 1.00 0.00 WAT +ATOM 35503 H2 TIP3 9731 34.828 -24.380 4.312 1.00 0.00 WAT +ATOM 35504 OH2 TIP3 9732 33.497 -7.093 11.368 1.00 0.00 WAT +ATOM 35505 H1 TIP3 9732 33.973 -7.433 12.147 1.00 0.00 WAT +ATOM 35506 H2 TIP3 9732 32.963 -7.869 11.096 1.00 0.00 WAT +ATOM 35507 OH2 TIP3 9733 38.108 -8.087 13.229 1.00 0.00 WAT +ATOM 35508 H1 TIP3 9733 38.821 -8.721 13.408 1.00 0.00 WAT +ATOM 35509 H2 TIP3 9733 37.888 -8.324 12.312 1.00 0.00 WAT +ATOM 35510 OH2 TIP3 9734 42.304 -8.830 -5.478 1.00 0.00 WAT +ATOM 35511 H1 TIP3 9734 41.454 -9.312 -5.444 1.00 0.00 WAT +ATOM 35512 H2 TIP3 9734 42.897 -9.583 -5.639 1.00 0.00 WAT +ATOM 35513 OH2 TIP3 9735 33.452 -13.514 12.466 1.00 0.00 WAT +ATOM 35514 H1 TIP3 9735 33.281 -14.460 12.370 1.00 0.00 WAT +ATOM 35515 H2 TIP3 9735 32.701 -13.142 11.954 1.00 0.00 WAT +ATOM 35516 OH2 TIP3 9736 37.663 -13.089 -5.335 1.00 0.00 WAT +ATOM 35517 H1 TIP3 9736 37.727 -13.947 -4.902 1.00 0.00 WAT +ATOM 35518 H2 TIP3 9736 38.458 -13.096 -5.899 1.00 0.00 WAT +ATOM 35519 OH2 TIP3 9737 39.990 -13.316 11.900 1.00 0.00 WAT +ATOM 35520 H1 TIP3 9737 39.821 -12.934 11.019 1.00 0.00 WAT +ATOM 35521 H2 TIP3 9737 40.157 -14.251 11.699 1.00 0.00 WAT +ATOM 35522 OH2 TIP3 9738 42.645 -11.734 -5.859 1.00 0.00 WAT +ATOM 35523 H1 TIP3 9738 42.834 -11.653 -4.910 1.00 0.00 WAT +ATOM 35524 H2 TIP3 9738 42.463 -12.687 -5.940 1.00 0.00 WAT +ATOM 35525 OH2 TIP3 9739 37.209 -16.682 9.004 1.00 0.00 WAT +ATOM 35526 H1 TIP3 9739 37.531 -16.052 9.673 1.00 0.00 WAT +ATOM 35527 H2 TIP3 9739 38.040 -16.819 8.513 1.00 0.00 WAT +ATOM 35528 OH2 TIP3 9740 39.829 -16.677 -4.579 1.00 0.00 WAT +ATOM 35529 H1 TIP3 9740 39.596 -16.701 -5.523 1.00 0.00 WAT +ATOM 35530 H2 TIP3 9740 40.799 -16.682 -4.634 1.00 0.00 WAT +ATOM 35531 OH2 TIP3 9741 42.784 -14.760 12.853 1.00 0.00 WAT +ATOM 35532 H1 TIP3 9741 43.529 -15.007 12.295 1.00 0.00 WAT +ATOM 35533 H2 TIP3 9741 42.699 -15.565 13.393 1.00 0.00 WAT +ATOM 35534 OH2 TIP3 9742 38.565 -19.939 10.311 1.00 0.00 WAT +ATOM 35535 H1 TIP3 9742 38.623 -20.638 9.631 1.00 0.00 WAT +ATOM 35536 H2 TIP3 9742 38.486 -19.158 9.760 1.00 0.00 WAT +ATOM 35537 OH2 TIP3 9743 38.854 -21.426 7.775 1.00 0.00 WAT +ATOM 35538 H1 TIP3 9743 39.357 -20.926 7.099 1.00 0.00 WAT +ATOM 35539 H2 TIP3 9743 37.954 -21.473 7.389 1.00 0.00 WAT +ATOM 35540 OH2 TIP3 9744 40.500 -16.075 8.130 1.00 0.00 WAT +ATOM 35541 H1 TIP3 9744 41.298 -16.170 7.585 1.00 0.00 WAT +ATOM 35542 H2 TIP3 9744 40.247 -15.163 7.903 1.00 0.00 WAT +ATOM 35543 OH2 TIP3 9745 36.548 -17.986 11.698 1.00 0.00 WAT +ATOM 35544 H1 TIP3 9745 36.087 -18.695 12.185 1.00 0.00 WAT +ATOM 35545 H2 TIP3 9745 37.455 -18.335 11.685 1.00 0.00 WAT +ATOM 35546 OH2 TIP3 9746 39.706 -24.089 8.100 1.00 0.00 WAT +ATOM 35547 H1 TIP3 9746 39.458 -23.158 7.930 1.00 0.00 WAT +ATOM 35548 H2 TIP3 9746 39.055 -24.566 7.548 1.00 0.00 WAT +ATOM 35549 OH2 TIP3 9747 41.007 -19.616 11.853 1.00 0.00 WAT +ATOM 35550 H1 TIP3 9747 40.682 -19.941 12.707 1.00 0.00 WAT +ATOM 35551 H2 TIP3 9747 40.278 -19.891 11.268 1.00 0.00 WAT +ATOM 35552 OH2 TIP3 9748 35.363 -20.651 11.927 1.00 0.00 WAT +ATOM 35553 H1 TIP3 9748 35.297 -21.389 11.294 1.00 0.00 WAT +ATOM 35554 H2 TIP3 9748 35.185 -21.118 12.767 1.00 0.00 WAT +ATOM 35555 OH2 TIP3 9749 39.469 -24.617 10.927 1.00 0.00 WAT +ATOM 35556 H1 TIP3 9749 40.037 -25.400 10.978 1.00 0.00 WAT +ATOM 35557 H2 TIP3 9749 39.428 -24.486 9.959 1.00 0.00 WAT +ATOM 35558 OH2 TIP3 9750 40.367 -22.805 12.847 1.00 0.00 WAT +ATOM 35559 H1 TIP3 9750 40.115 -23.395 12.106 1.00 0.00 WAT +ATOM 35560 H2 TIP3 9750 39.678 -22.129 12.813 1.00 0.00 WAT +ATOM 35561 OH2 TIP3 9751 39.567 -5.837 -3.733 1.00 0.00 WAT +ATOM 35562 H1 TIP3 9751 40.518 -5.685 -3.661 1.00 0.00 WAT +ATOM 35563 H2 TIP3 9751 39.362 -5.308 -4.518 1.00 0.00 WAT +ATOM 35564 OH2 TIP3 9752 33.218 -11.308 -4.203 1.00 0.00 WAT +ATOM 35565 H1 TIP3 9752 34.150 -11.152 -3.988 1.00 0.00 WAT +ATOM 35566 H2 TIP3 9752 33.252 -12.098 -4.772 1.00 0.00 WAT +ATOM 35567 OH2 TIP3 9753 32.701 -14.794 4.994 1.00 0.00 WAT +ATOM 35568 H1 TIP3 9753 32.810 -14.585 4.050 1.00 0.00 WAT +ATOM 35569 H2 TIP3 9753 33.616 -14.744 5.304 1.00 0.00 WAT +ATOM 35570 OH2 TIP3 9754 32.830 -19.416 11.336 1.00 0.00 WAT +ATOM 35571 H1 TIP3 9754 33.698 -19.851 11.419 1.00 0.00 WAT +ATOM 35572 H2 TIP3 9754 32.242 -20.196 11.352 1.00 0.00 WAT +ATOM 35573 OH2 TIP3 9755 33.491 -21.076 4.113 1.00 0.00 WAT +ATOM 35574 H1 TIP3 9755 33.896 -21.958 4.190 1.00 0.00 WAT +ATOM 35575 H2 TIP3 9755 34.191 -20.511 4.485 1.00 0.00 WAT +ATOM 35576 OH2 TIP3 9756 32.082 -18.329 5.247 1.00 0.00 WAT +ATOM 35577 H1 TIP3 9756 32.510 -18.513 4.402 1.00 0.00 WAT +ATOM 35578 H2 TIP3 9756 32.472 -17.475 5.472 1.00 0.00 WAT +ATOM 35579 OH2 TIP3 9757 32.500 -22.033 -0.721 1.00 0.00 WAT +ATOM 35580 H1 TIP3 9757 31.560 -22.062 -0.977 1.00 0.00 WAT +ATOM 35581 H2 TIP3 9757 32.900 -21.492 -1.430 1.00 0.00 WAT +ATOM 35582 OH2 TIP3 9758 32.579 -23.172 7.373 1.00 0.00 WAT +ATOM 35583 H1 TIP3 9758 31.870 -23.476 7.957 1.00 0.00 WAT +ATOM 35584 H2 TIP3 9758 32.063 -22.678 6.706 1.00 0.00 WAT +ATOM 35585 OH2 TIP3 9759 34.461 -10.156 12.005 1.00 0.00 WAT +ATOM 35586 H1 TIP3 9759 33.719 -10.083 11.384 1.00 0.00 WAT +ATOM 35587 H2 TIP3 9759 34.012 -10.099 12.854 1.00 0.00 WAT +ATOM 35588 OH2 TIP3 9760 37.476 -9.137 7.787 1.00 0.00 WAT +ATOM 35589 H1 TIP3 9760 37.063 -8.365 7.359 1.00 0.00 WAT +ATOM 35590 H2 TIP3 9760 38.415 -8.970 7.564 1.00 0.00 WAT +ATOM 35591 OH2 TIP3 9761 42.185 -7.490 10.619 1.00 0.00 WAT +ATOM 35592 H1 TIP3 9761 42.058 -7.864 11.504 1.00 0.00 WAT +ATOM 35593 H2 TIP3 9761 43.137 -7.281 10.660 1.00 0.00 WAT +ATOM 35594 OH2 TIP3 9762 34.590 -5.811 7.983 1.00 0.00 WAT +ATOM 35595 H1 TIP3 9762 33.854 -5.523 7.438 1.00 0.00 WAT +ATOM 35596 H2 TIP3 9762 34.160 -6.077 8.803 1.00 0.00 WAT +ATOM 35597 OH2 TIP3 9763 37.251 -6.365 6.701 1.00 0.00 WAT +ATOM 35598 H1 TIP3 9763 36.364 -6.161 7.052 1.00 0.00 WAT +ATOM 35599 H2 TIP3 9763 37.312 -5.736 5.957 1.00 0.00 WAT +ATOM 35600 OH2 TIP3 9764 41.945 -6.599 6.177 1.00 0.00 WAT +ATOM 35601 H1 TIP3 9764 41.782 -6.123 5.347 1.00 0.00 WAT +ATOM 35602 H2 TIP3 9764 42.608 -6.048 6.603 1.00 0.00 WAT +ATOM 35603 OH2 TIP3 9765 36.242 -8.538 3.123 1.00 0.00 WAT +ATOM 35604 H1 TIP3 9765 35.911 -9.299 3.636 1.00 0.00 WAT +ATOM 35605 H2 TIP3 9765 36.978 -8.239 3.677 1.00 0.00 WAT +ATOM 35606 OH2 TIP3 9766 39.076 -8.105 4.300 1.00 0.00 WAT +ATOM 35607 H1 TIP3 9766 39.209 -9.041 4.083 1.00 0.00 WAT +ATOM 35608 H2 TIP3 9766 39.130 -8.132 5.267 1.00 0.00 WAT +ATOM 35609 OH2 TIP3 9767 42.590 -22.539 3.640 1.00 0.00 WAT +ATOM 35610 H1 TIP3 9767 41.800 -23.096 3.767 1.00 0.00 WAT +ATOM 35611 H2 TIP3 9767 43.004 -22.968 2.886 1.00 0.00 WAT +ATOM 35612 OH2 TIP3 9768 34.824 -23.549 1.174 1.00 0.00 WAT +ATOM 35613 H1 TIP3 9768 33.953 -23.664 0.744 1.00 0.00 WAT +ATOM 35614 H2 TIP3 9768 35.213 -24.433 1.028 1.00 0.00 WAT +ATOM 35615 OH2 TIP3 9769 33.695 -24.088 -2.901 1.00 0.00 WAT +ATOM 35616 H1 TIP3 9769 34.124 -23.418 -3.468 1.00 0.00 WAT +ATOM 35617 H2 TIP3 9769 33.173 -23.539 -2.298 1.00 0.00 WAT +ATOM 35618 OH2 TIP3 9770 39.319 -23.681 1.064 1.00 0.00 WAT +ATOM 35619 H1 TIP3 9770 40.265 -23.455 0.978 1.00 0.00 WAT +ATOM 35620 H2 TIP3 9770 39.263 -23.854 2.011 1.00 0.00 WAT +ATOM 35621 OH2 TIP3 9771 35.310 -22.251 -4.495 1.00 0.00 WAT +ATOM 35622 H1 TIP3 9771 35.901 -22.794 -5.045 1.00 0.00 WAT +ATOM 35623 H2 TIP3 9771 35.930 -21.920 -3.820 1.00 0.00 WAT +ATOM 35624 OH2 TIP3 9772 40.792 -21.991 -1.906 1.00 0.00 WAT +ATOM 35625 H1 TIP3 9772 40.673 -22.676 -1.229 1.00 0.00 WAT +ATOM 35626 H2 TIP3 9772 40.495 -21.195 -1.447 1.00 0.00 WAT +ATOM 35627 OH2 TIP3 9773 42.640 -6.496 -3.663 1.00 0.00 WAT +ATOM 35628 H1 TIP3 9773 43.501 -6.077 -3.845 1.00 0.00 WAT +ATOM 35629 H2 TIP3 9773 42.495 -7.036 -4.460 1.00 0.00 WAT +ATOM 35630 OH2 TIP3 9774 34.635 -23.231 10.741 1.00 0.00 WAT +ATOM 35631 H1 TIP3 9774 34.176 -24.043 11.018 1.00 0.00 WAT +ATOM 35632 H2 TIP3 9774 35.554 -23.466 10.943 1.00 0.00 WAT +ATOM 35633 OH2 TIP3 9775 37.018 -23.922 12.470 1.00 0.00 WAT +ATOM 35634 H1 TIP3 9775 37.823 -24.301 12.063 1.00 0.00 WAT +ATOM 35635 H2 TIP3 9775 36.625 -24.719 12.868 1.00 0.00 WAT +ATOM 35636 OH2 TIP3 9776 35.197 -7.250 -4.925 1.00 0.00 WAT +ATOM 35637 H1 TIP3 9776 35.016 -6.798 -4.090 1.00 0.00 WAT +ATOM 35638 H2 TIP3 9776 36.064 -7.662 -4.789 1.00 0.00 WAT +ATOM 35639 OH2 TIP3 9777 -31.605 4.064 1.456 1.00 0.00 WAT +ATOM 35640 H1 TIP3 9777 -31.628 5.031 1.514 1.00 0.00 WAT +ATOM 35641 H2 TIP3 9777 -32.363 3.884 0.880 1.00 0.00 WAT +ATOM 35642 OH2 TIP3 9778 -32.671 3.510 4.557 1.00 0.00 WAT +ATOM 35643 H1 TIP3 9778 -32.717 2.868 5.280 1.00 0.00 WAT +ATOM 35644 H2 TIP3 9778 -32.935 2.951 3.809 1.00 0.00 WAT +ATOM 35645 OH2 TIP3 9779 -40.309 3.076 6.167 1.00 0.00 WAT +ATOM 35646 H1 TIP3 9779 -40.320 2.332 6.796 1.00 0.00 WAT +ATOM 35647 H2 TIP3 9779 -39.571 3.603 6.499 1.00 0.00 WAT +ATOM 35648 OH2 TIP3 9780 -29.034 6.252 2.830 1.00 0.00 WAT +ATOM 35649 H1 TIP3 9780 -29.407 5.514 3.331 1.00 0.00 WAT +ATOM 35650 H2 TIP3 9780 -28.758 6.845 3.542 1.00 0.00 WAT +ATOM 35651 OH2 TIP3 9781 -39.599 7.679 4.710 1.00 0.00 WAT +ATOM 35652 H1 TIP3 9781 -39.877 6.792 4.405 1.00 0.00 WAT +ATOM 35653 H2 TIP3 9781 -38.647 7.535 4.818 1.00 0.00 WAT +ATOM 35654 OH2 TIP3 9782 -41.820 1.898 -0.718 1.00 0.00 WAT +ATOM 35655 H1 TIP3 9782 -42.183 2.669 -0.253 1.00 0.00 WAT +ATOM 35656 H2 TIP3 9782 -42.209 1.191 -0.196 1.00 0.00 WAT +ATOM 35657 OH2 TIP3 9783 -42.108 3.493 1.810 1.00 0.00 WAT +ATOM 35658 H1 TIP3 9783 -41.821 2.808 2.437 1.00 0.00 WAT +ATOM 35659 H2 TIP3 9783 -41.277 3.874 1.502 1.00 0.00 WAT +ATOM 35660 OH2 TIP3 9784 -31.965 11.613 3.405 1.00 0.00 WAT +ATOM 35661 H1 TIP3 9784 -31.411 10.878 3.074 1.00 0.00 WAT +ATOM 35662 H2 TIP3 9784 -32.295 11.250 4.237 1.00 0.00 WAT +ATOM 35663 OH2 TIP3 9785 -34.247 5.992 5.100 1.00 0.00 WAT +ATOM 35664 H1 TIP3 9785 -33.955 5.289 4.493 1.00 0.00 WAT +ATOM 35665 H2 TIP3 9785 -33.418 6.126 5.589 1.00 0.00 WAT +ATOM 35666 OH2 TIP3 9786 -30.916 0.273 5.598 1.00 0.00 WAT +ATOM 35667 H1 TIP3 9786 -30.881 -0.710 5.625 1.00 0.00 WAT +ATOM 35668 H2 TIP3 9786 -31.075 0.407 4.650 1.00 0.00 WAT +ATOM 35669 OH2 TIP3 9787 -38.095 -1.568 2.634 1.00 0.00 WAT +ATOM 35670 H1 TIP3 9787 -37.853 -0.764 2.138 1.00 0.00 WAT +ATOM 35671 H2 TIP3 9787 -38.330 -2.174 1.911 1.00 0.00 WAT +ATOM 35672 OH2 TIP3 9788 -30.196 -1.498 1.038 1.00 0.00 WAT +ATOM 35673 H1 TIP3 9788 -29.698 -1.987 1.707 1.00 0.00 WAT +ATOM 35674 H2 TIP3 9788 -29.505 -1.031 0.548 1.00 0.00 WAT +ATOM 35675 OH2 TIP3 9789 -41.375 1.075 3.220 1.00 0.00 WAT +ATOM 35676 H1 TIP3 9789 -40.762 0.635 3.833 1.00 0.00 WAT +ATOM 35677 H2 TIP3 9789 -41.211 0.565 2.408 1.00 0.00 WAT +ATOM 35678 OH2 TIP3 9790 -35.928 2.443 2.662 1.00 0.00 WAT +ATOM 35679 H1 TIP3 9790 -35.213 1.886 3.026 1.00 0.00 WAT +ATOM 35680 H2 TIP3 9790 -36.423 1.790 2.131 1.00 0.00 WAT +ATOM 35681 OH2 TIP3 9791 -39.212 -2.882 6.898 1.00 0.00 WAT +ATOM 35682 H1 TIP3 9791 -39.562 -2.513 6.073 1.00 0.00 WAT +ATOM 35683 H2 TIP3 9791 -39.853 -2.564 7.550 1.00 0.00 WAT +ATOM 35684 OH2 TIP3 9792 -31.614 6.974 0.172 1.00 0.00 WAT +ATOM 35685 H1 TIP3 9792 -32.061 6.602 -0.595 1.00 0.00 WAT +ATOM 35686 H2 TIP3 9792 -32.162 7.753 0.378 1.00 0.00 WAT +ATOM 35687 OH2 TIP3 9793 -36.222 5.016 6.974 1.00 0.00 WAT +ATOM 35688 H1 TIP3 9793 -36.970 5.602 7.212 1.00 0.00 WAT +ATOM 35689 H2 TIP3 9793 -35.633 5.618 6.482 1.00 0.00 WAT +ATOM 35690 OH2 TIP3 9794 -39.569 -0.780 4.768 1.00 0.00 WAT +ATOM 35691 H1 TIP3 9794 -38.876 -0.230 5.180 1.00 0.00 WAT +ATOM 35692 H2 TIP3 9794 -39.028 -1.203 4.056 1.00 0.00 WAT +ATOM 35693 OH2 TIP3 9795 -38.266 6.877 7.717 1.00 0.00 WAT +ATOM 35694 H1 TIP3 9795 -38.305 7.767 7.323 1.00 0.00 WAT +ATOM 35695 H2 TIP3 9795 -39.165 6.818 8.088 1.00 0.00 WAT +ATOM 35696 OH2 TIP3 9796 -28.425 8.021 5.341 1.00 0.00 WAT +ATOM 35697 H1 TIP3 9796 -29.394 8.119 5.341 1.00 0.00 WAT +ATOM 35698 H2 TIP3 9796 -28.150 8.901 5.030 1.00 0.00 WAT +ATOM 35699 OH2 TIP3 9797 -30.167 9.966 1.959 1.00 0.00 WAT +ATOM 35700 H1 TIP3 9797 -29.729 9.170 1.604 1.00 0.00 WAT +ATOM 35701 H2 TIP3 9797 -29.523 10.662 1.740 1.00 0.00 WAT +ATOM 35702 OH2 TIP3 9798 -28.705 7.814 0.423 1.00 0.00 WAT +ATOM 35703 H1 TIP3 9798 -29.337 7.379 -0.167 1.00 0.00 WAT +ATOM 35704 H2 TIP3 9798 -28.750 7.228 1.201 1.00 0.00 WAT +ATOM 35705 OH2 TIP3 9799 -32.952 3.623 -1.288 1.00 0.00 WAT +ATOM 35706 H1 TIP3 9799 -33.661 4.157 -1.698 1.00 0.00 WAT +ATOM 35707 H2 TIP3 9799 -32.275 3.631 -1.982 1.00 0.00 WAT +ATOM 35708 OH2 TIP3 9800 -32.660 1.769 -4.236 1.00 0.00 WAT +ATOM 35709 H1 TIP3 9800 -31.939 2.075 -3.658 1.00 0.00 WAT +ATOM 35710 H2 TIP3 9800 -32.184 1.162 -4.819 1.00 0.00 WAT +ATOM 35711 OH2 TIP3 9801 -29.458 3.657 -0.271 1.00 0.00 WAT +ATOM 35712 H1 TIP3 9801 -30.140 3.776 0.428 1.00 0.00 WAT +ATOM 35713 H2 TIP3 9801 -28.828 3.058 0.181 1.00 0.00 WAT +ATOM 35714 OH2 TIP3 9802 -29.413 1.943 8.560 1.00 0.00 WAT +ATOM 35715 H1 TIP3 9802 -29.452 2.679 9.184 1.00 0.00 WAT +ATOM 35716 H2 TIP3 9802 -30.097 2.206 7.919 1.00 0.00 WAT +ATOM 35717 OH2 TIP3 9803 -37.842 4.347 1.558 1.00 0.00 WAT +ATOM 35718 H1 TIP3 9803 -38.184 3.996 0.710 1.00 0.00 WAT +ATOM 35719 H2 TIP3 9803 -37.215 3.651 1.821 1.00 0.00 WAT +ATOM 35720 OH2 TIP3 9804 -36.477 7.737 4.316 1.00 0.00 WAT +ATOM 35721 H1 TIP3 9804 -36.616 7.407 3.415 1.00 0.00 WAT +ATOM 35722 H2 TIP3 9804 -35.675 7.250 4.587 1.00 0.00 WAT +ATOM 35723 OH2 TIP3 9805 -37.296 3.168 5.046 1.00 0.00 WAT +ATOM 35724 H1 TIP3 9805 -36.743 3.152 4.238 1.00 0.00 WAT +ATOM 35725 H2 TIP3 9805 -36.839 3.818 5.608 1.00 0.00 WAT +ATOM 35726 OH2 TIP3 9806 -31.308 8.667 5.611 1.00 0.00 WAT +ATOM 35727 H1 TIP3 9806 -31.291 9.329 6.321 1.00 0.00 WAT +ATOM 35728 H2 TIP3 9806 -31.515 7.835 6.071 1.00 0.00 WAT +ATOM 35729 OH2 TIP3 9807 -36.420 7.465 9.875 1.00 0.00 WAT +ATOM 35730 H1 TIP3 9807 -36.952 8.132 10.345 1.00 0.00 WAT +ATOM 35731 H2 TIP3 9807 -37.047 7.187 9.178 1.00 0.00 WAT +ATOM 35732 OH2 TIP3 9808 -30.459 3.081 -2.836 1.00 0.00 WAT +ATOM 35733 H1 TIP3 9808 -30.016 3.321 -1.996 1.00 0.00 WAT +ATOM 35734 H2 TIP3 9808 -29.907 3.556 -3.498 1.00 0.00 WAT +ATOM 35735 OH2 TIP3 9809 -39.542 3.802 9.050 1.00 0.00 WAT +ATOM 35736 H1 TIP3 9809 -39.483 4.413 9.806 1.00 0.00 WAT +ATOM 35737 H2 TIP3 9809 -40.504 3.777 8.898 1.00 0.00 WAT +ATOM 35738 OH2 TIP3 9810 -32.972 9.629 0.782 1.00 0.00 WAT +ATOM 35739 H1 TIP3 9810 -32.577 9.929 1.607 1.00 0.00 WAT +ATOM 35740 H2 TIP3 9810 -33.541 10.369 0.522 1.00 0.00 WAT +ATOM 35741 OH2 TIP3 9811 -38.350 9.626 10.716 1.00 0.00 WAT +ATOM 35742 H1 TIP3 9811 -38.414 9.683 9.745 1.00 0.00 WAT +ATOM 35743 H2 TIP3 9811 -39.268 9.440 10.981 1.00 0.00 WAT +ATOM 35744 OH2 TIP3 9812 -26.962 -5.220 -3.485 1.00 0.00 WAT +ATOM 35745 H1 TIP3 9812 -27.636 -5.323 -2.789 1.00 0.00 WAT +ATOM 35746 H2 TIP3 9812 -26.424 -4.515 -3.137 1.00 0.00 WAT +ATOM 35747 OH2 TIP3 9813 -38.949 3.127 -0.954 1.00 0.00 WAT +ATOM 35748 H1 TIP3 9813 -39.221 3.968 -1.387 1.00 0.00 WAT +ATOM 35749 H2 TIP3 9813 -39.725 2.576 -1.145 1.00 0.00 WAT +ATOM 35750 OH2 TIP3 9814 -42.671 5.908 7.617 1.00 0.00 WAT +ATOM 35751 H1 TIP3 9814 -42.856 5.584 6.718 1.00 0.00 WAT +ATOM 35752 H2 TIP3 9814 -43.060 5.195 8.154 1.00 0.00 WAT +ATOM 35753 OH2 TIP3 9815 -42.843 8.658 4.629 1.00 0.00 WAT +ATOM 35754 H1 TIP3 9815 -41.973 8.262 4.761 1.00 0.00 WAT +ATOM 35755 H2 TIP3 9815 -42.956 9.201 5.415 1.00 0.00 WAT +ATOM 35756 OH2 TIP3 9816 -24.501 9.238 10.407 1.00 0.00 WAT +ATOM 35757 H1 TIP3 9816 -24.657 8.286 10.273 1.00 0.00 WAT +ATOM 35758 H2 TIP3 9816 -25.332 9.517 10.834 1.00 0.00 WAT +ATOM 35759 OH2 TIP3 9817 -33.787 8.516 9.308 1.00 0.00 WAT +ATOM 35760 H1 TIP3 9817 -33.723 9.343 9.826 1.00 0.00 WAT +ATOM 35761 H2 TIP3 9817 -34.688 8.209 9.534 1.00 0.00 WAT +ATOM 35762 OH2 TIP3 9818 -33.586 12.426 -0.633 1.00 0.00 WAT +ATOM 35763 H1 TIP3 9818 -33.542 12.322 -1.598 1.00 0.00 WAT +ATOM 35764 H2 TIP3 9818 -33.328 13.346 -0.488 1.00 0.00 WAT +ATOM 35765 OH2 TIP3 9819 -39.836 11.455 0.917 1.00 0.00 WAT +ATOM 35766 H1 TIP3 9819 -39.620 10.998 1.751 1.00 0.00 WAT +ATOM 35767 H2 TIP3 9819 -40.517 10.829 0.578 1.00 0.00 WAT +ATOM 35768 OH2 TIP3 9820 -30.139 11.720 -3.630 1.00 0.00 WAT +ATOM 35769 H1 TIP3 9820 -29.565 11.080 -4.096 1.00 0.00 WAT +ATOM 35770 H2 TIP3 9820 -30.200 11.309 -2.747 1.00 0.00 WAT +ATOM 35771 OH2 TIP3 9821 -30.791 11.256 -0.725 1.00 0.00 WAT +ATOM 35772 H1 TIP3 9821 -31.758 11.272 -0.629 1.00 0.00 WAT +ATOM 35773 H2 TIP3 9821 -30.596 10.473 -0.185 1.00 0.00 WAT +ATOM 35774 OH2 TIP3 9822 -27.672 0.619 10.848 1.00 0.00 WAT +ATOM 35775 H1 TIP3 9822 -28.142 1.020 10.105 1.00 0.00 WAT +ATOM 35776 H2 TIP3 9822 -27.699 -0.311 10.594 1.00 0.00 WAT +ATOM 35777 OH2 TIP3 9823 -40.743 7.319 9.124 1.00 0.00 WAT +ATOM 35778 H1 TIP3 9823 -40.418 6.710 9.810 1.00 0.00 WAT +ATOM 35779 H2 TIP3 9823 -41.475 6.818 8.700 1.00 0.00 WAT +ATOM 35780 OH2 TIP3 9824 -37.298 -3.729 4.824 1.00 0.00 WAT +ATOM 35781 H1 TIP3 9824 -37.786 -4.366 4.287 1.00 0.00 WAT +ATOM 35782 H2 TIP3 9824 -37.836 -3.619 5.610 1.00 0.00 WAT +ATOM 35783 OH2 TIP3 9825 -33.090 -4.582 8.939 1.00 0.00 WAT +ATOM 35784 H1 TIP3 9825 -32.549 -5.353 9.177 1.00 0.00 WAT +ATOM 35785 H2 TIP3 9825 -33.936 -4.980 8.666 1.00 0.00 WAT +ATOM 35786 OH2 TIP3 9826 -29.454 -1.055 9.156 1.00 0.00 WAT +ATOM 35787 H1 TIP3 9826 -30.207 -1.266 9.726 1.00 0.00 WAT +ATOM 35788 H2 TIP3 9826 -29.725 -0.241 8.711 1.00 0.00 WAT +ATOM 35789 OH2 TIP3 9827 -28.730 4.138 -4.812 1.00 0.00 WAT +ATOM 35790 H1 TIP3 9827 -28.929 3.907 -5.743 1.00 0.00 WAT +ATOM 35791 H2 TIP3 9827 -27.827 4.456 -4.886 1.00 0.00 WAT +ATOM 35792 OH2 TIP3 9828 -33.306 -2.130 -4.251 1.00 0.00 WAT +ATOM 35793 H1 TIP3 9828 -33.793 -2.284 -3.425 1.00 0.00 WAT +ATOM 35794 H2 TIP3 9828 -33.694 -2.821 -4.812 1.00 0.00 WAT +ATOM 35795 OH2 TIP3 9829 -37.570 0.591 6.265 1.00 0.00 WAT +ATOM 35796 H1 TIP3 9829 -38.251 0.670 6.950 1.00 0.00 WAT +ATOM 35797 H2 TIP3 9829 -37.554 1.483 5.860 1.00 0.00 WAT +ATOM 35798 OH2 TIP3 9830 -37.688 0.683 1.081 1.00 0.00 WAT +ATOM 35799 H1 TIP3 9830 -38.643 0.618 0.907 1.00 0.00 WAT +ATOM 35800 H2 TIP3 9830 -37.332 0.477 0.194 1.00 0.00 WAT +ATOM 35801 OH2 TIP3 9831 -32.069 1.235 -0.080 1.00 0.00 WAT +ATOM 35802 H1 TIP3 9831 -32.508 2.030 -0.449 1.00 0.00 WAT +ATOM 35803 H2 TIP3 9831 -31.397 1.054 -0.758 1.00 0.00 WAT +ATOM 35804 OH2 TIP3 9832 -32.838 1.415 11.344 1.00 0.00 WAT +ATOM 35805 H1 TIP3 9832 -33.345 0.627 11.622 1.00 0.00 WAT +ATOM 35806 H2 TIP3 9832 -31.948 1.205 11.681 1.00 0.00 WAT +ATOM 35807 OH2 TIP3 9833 -31.092 0.658 2.672 1.00 0.00 WAT +ATOM 35808 H1 TIP3 9833 -31.451 1.203 1.946 1.00 0.00 WAT +ATOM 35809 H2 TIP3 9833 -30.982 -0.188 2.195 1.00 0.00 WAT +ATOM 35810 OH2 TIP3 9834 -40.248 0.736 8.087 1.00 0.00 WAT +ATOM 35811 H1 TIP3 9834 -39.933 1.090 8.926 1.00 0.00 WAT +ATOM 35812 H2 TIP3 9834 -40.552 -0.149 8.354 1.00 0.00 WAT +ATOM 35813 OH2 TIP3 9835 -36.860 -1.691 -5.363 1.00 0.00 WAT +ATOM 35814 H1 TIP3 9835 -37.211 -2.029 -4.514 1.00 0.00 WAT +ATOM 35815 H2 TIP3 9835 -37.662 -1.547 -5.876 1.00 0.00 WAT +ATOM 35816 OH2 TIP3 9836 -43.266 -1.762 1.732 1.00 0.00 WAT +ATOM 35817 H1 TIP3 9836 -43.020 -1.934 2.658 1.00 0.00 WAT +ATOM 35818 H2 TIP3 9836 -42.716 -2.390 1.257 1.00 0.00 WAT +ATOM 35819 OH2 TIP3 9837 -42.123 -1.150 -2.388 1.00 0.00 WAT +ATOM 35820 H1 TIP3 9837 -41.489 -0.945 -3.104 1.00 0.00 WAT +ATOM 35821 H2 TIP3 9837 -42.947 -0.851 -2.787 1.00 0.00 WAT +ATOM 35822 OH2 TIP3 9838 -31.977 2.260 7.198 1.00 0.00 WAT +ATOM 35823 H1 TIP3 9838 -31.614 1.535 6.637 1.00 0.00 WAT +ATOM 35824 H2 TIP3 9838 -32.412 1.761 7.900 1.00 0.00 WAT +ATOM 35825 OH2 TIP3 9839 -34.874 -1.672 2.223 1.00 0.00 WAT +ATOM 35826 H1 TIP3 9839 -35.808 -1.885 2.382 1.00 0.00 WAT +ATOM 35827 H2 TIP3 9839 -34.460 -2.141 2.973 1.00 0.00 WAT +ATOM 35828 OH2 TIP3 9840 -40.429 -0.549 0.805 1.00 0.00 WAT +ATOM 35829 H1 TIP3 9840 -41.144 -0.438 0.173 1.00 0.00 WAT +ATOM 35830 H2 TIP3 9840 -39.984 -1.347 0.455 1.00 0.00 WAT +ATOM 35831 OH2 TIP3 9841 -36.720 -0.221 -1.498 1.00 0.00 WAT +ATOM 35832 H1 TIP3 9841 -35.752 -0.140 -1.443 1.00 0.00 WAT +ATOM 35833 H2 TIP3 9841 -36.969 0.406 -2.201 1.00 0.00 WAT +ATOM 35834 OH2 TIP3 9842 -30.852 -2.489 5.181 1.00 0.00 WAT +ATOM 35835 H1 TIP3 9842 -31.288 -2.784 5.990 1.00 0.00 WAT +ATOM 35836 H2 TIP3 9842 -31.130 -3.188 4.570 1.00 0.00 WAT +ATOM 35837 OH2 TIP3 9843 -38.244 1.000 -3.747 1.00 0.00 WAT +ATOM 35838 H1 TIP3 9843 -38.825 0.724 -4.469 1.00 0.00 WAT +ATOM 35839 H2 TIP3 9843 -37.429 1.232 -4.222 1.00 0.00 WAT +ATOM 35840 OH2 TIP3 9844 -27.496 13.143 11.822 1.00 0.00 WAT +ATOM 35841 H1 TIP3 9844 -27.265 13.597 10.993 1.00 0.00 WAT +ATOM 35842 H2 TIP3 9844 -26.792 13.454 12.417 1.00 0.00 WAT +ATOM 35843 OH2 TIP3 9845 -39.522 5.755 11.246 1.00 0.00 WAT +ATOM 35844 H1 TIP3 9845 -38.900 5.799 12.003 1.00 0.00 WAT +ATOM 35845 H2 TIP3 9845 -40.371 5.862 11.726 1.00 0.00 WAT +ATOM 35846 OH2 TIP3 9846 -33.807 0.821 4.027 1.00 0.00 WAT +ATOM 35847 H1 TIP3 9846 -33.228 0.286 3.467 1.00 0.00 WAT +ATOM 35848 H2 TIP3 9846 -34.061 0.165 4.712 1.00 0.00 WAT +ATOM 35849 OH2 TIP3 9847 -38.755 -2.848 0.136 1.00 0.00 WAT +ATOM 35850 H1 TIP3 9847 -39.132 -3.724 0.283 1.00 0.00 WAT +ATOM 35851 H2 TIP3 9847 -37.855 -3.086 -0.143 1.00 0.00 WAT +ATOM 35852 OH2 TIP3 9848 -34.829 -0.711 6.175 1.00 0.00 WAT +ATOM 35853 H1 TIP3 9848 -35.681 -0.248 6.211 1.00 0.00 WAT +ATOM 35854 H2 TIP3 9848 -34.444 -0.544 7.055 1.00 0.00 WAT +ATOM 35855 OH2 TIP3 9849 -34.774 5.664 -1.915 1.00 0.00 WAT +ATOM 35856 H1 TIP3 9849 -35.536 5.182 -2.312 1.00 0.00 WAT +ATOM 35857 H2 TIP3 9849 -35.006 5.674 -0.964 1.00 0.00 WAT +ATOM 35858 OH2 TIP3 9850 -27.492 4.909 7.127 1.00 0.00 WAT +ATOM 35859 H1 TIP3 9850 -26.816 5.157 6.469 1.00 0.00 WAT +ATOM 35860 H2 TIP3 9850 -28.203 4.579 6.557 1.00 0.00 WAT +ATOM 35861 OH2 TIP3 9851 -30.623 -1.508 -4.121 1.00 0.00 WAT +ATOM 35862 H1 TIP3 9851 -31.605 -1.569 -4.141 1.00 0.00 WAT +ATOM 35863 H2 TIP3 9851 -30.456 -0.791 -3.480 1.00 0.00 WAT +ATOM 35864 OH2 TIP3 9852 -32.989 5.649 9.441 1.00 0.00 WAT +ATOM 35865 H1 TIP3 9852 -33.369 5.266 10.244 1.00 0.00 WAT +ATOM 35866 H2 TIP3 9852 -33.396 6.529 9.418 1.00 0.00 WAT +ATOM 35867 OH2 TIP3 9853 -29.962 0.314 -2.044 1.00 0.00 WAT +ATOM 35868 H1 TIP3 9853 -29.081 0.111 -1.679 1.00 0.00 WAT +ATOM 35869 H2 TIP3 9853 -29.802 1.148 -2.519 1.00 0.00 WAT +ATOM 35870 OH2 TIP3 9854 -39.723 4.959 3.838 1.00 0.00 WAT +ATOM 35871 H1 TIP3 9854 -39.124 4.869 3.074 1.00 0.00 WAT +ATOM 35872 H2 TIP3 9854 -39.588 4.112 4.291 1.00 0.00 WAT +ATOM 35873 OH2 TIP3 9855 -32.370 6.972 -2.948 1.00 0.00 WAT +ATOM 35874 H1 TIP3 9855 -32.625 7.819 -2.541 1.00 0.00 WAT +ATOM 35875 H2 TIP3 9855 -33.137 6.414 -2.710 1.00 0.00 WAT +ATOM 35876 OH2 TIP3 9856 -42.417 3.470 9.500 1.00 0.00 WAT +ATOM 35877 H1 TIP3 9856 -42.300 2.792 10.185 1.00 0.00 WAT +ATOM 35878 H2 TIP3 9856 -42.871 2.959 8.789 1.00 0.00 WAT +ATOM 35879 OH2 TIP3 9857 -35.402 2.788 11.199 1.00 0.00 WAT +ATOM 35880 H1 TIP3 9857 -35.780 2.519 10.341 1.00 0.00 WAT +ATOM 35881 H2 TIP3 9857 -34.478 2.499 11.082 1.00 0.00 WAT +ATOM 35882 OH2 TIP3 9858 -30.794 8.289 9.003 1.00 0.00 WAT +ATOM 35883 H1 TIP3 9858 -31.728 8.231 8.743 1.00 0.00 WAT +ATOM 35884 H2 TIP3 9858 -30.877 8.532 9.945 1.00 0.00 WAT +ATOM 35885 OH2 TIP3 9859 -25.320 6.429 10.148 1.00 0.00 WAT +ATOM 35886 H1 TIP3 9859 -25.943 6.234 9.439 1.00 0.00 WAT +ATOM 35887 H2 TIP3 9859 -24.499 6.213 9.655 1.00 0.00 WAT +ATOM 35888 OH2 TIP3 9860 -27.041 8.909 -2.345 1.00 0.00 WAT +ATOM 35889 H1 TIP3 9860 -27.411 8.117 -1.928 1.00 0.00 WAT +ATOM 35890 H2 TIP3 9860 -26.475 8.558 -3.050 1.00 0.00 WAT +ATOM 35891 OH2 TIP3 9861 -29.780 4.141 5.236 1.00 0.00 WAT +ATOM 35892 H1 TIP3 9861 -30.699 3.984 4.949 1.00 0.00 WAT +ATOM 35893 H2 TIP3 9861 -29.327 3.402 4.781 1.00 0.00 WAT +ATOM 35894 OH2 TIP3 9862 -37.295 8.332 1.315 1.00 0.00 WAT +ATOM 35895 H1 TIP3 9862 -36.896 9.164 1.015 1.00 0.00 WAT +ATOM 35896 H2 TIP3 9862 -38.161 8.352 0.883 1.00 0.00 WAT +ATOM 35897 OH2 TIP3 9863 -41.505 3.338 -4.068 1.00 0.00 WAT +ATOM 35898 H1 TIP3 9863 -40.784 3.855 -3.640 1.00 0.00 WAT +ATOM 35899 H2 TIP3 9863 -42.224 3.941 -3.841 1.00 0.00 WAT +ATOM 35900 OH2 TIP3 9864 -35.411 6.007 0.878 1.00 0.00 WAT +ATOM 35901 H1 TIP3 9864 -35.782 6.897 0.964 1.00 0.00 WAT +ATOM 35902 H2 TIP3 9864 -36.136 5.463 1.223 1.00 0.00 WAT +ATOM 35903 OH2 TIP3 9865 -35.266 10.248 7.177 1.00 0.00 WAT +ATOM 35904 H1 TIP3 9865 -34.706 10.980 6.869 1.00 0.00 WAT +ATOM 35905 H2 TIP3 9865 -34.644 9.751 7.732 1.00 0.00 WAT +ATOM 35906 OH2 TIP3 9866 -36.808 11.199 0.407 1.00 0.00 WAT +ATOM 35907 H1 TIP3 9866 -37.772 11.267 0.472 1.00 0.00 WAT +ATOM 35908 H2 TIP3 9866 -36.522 12.100 0.632 1.00 0.00 WAT +ATOM 35909 OH2 TIP3 9867 -31.697 6.012 6.847 1.00 0.00 WAT +ATOM 35910 H1 TIP3 9867 -32.113 5.641 7.648 1.00 0.00 WAT +ATOM 35911 H2 TIP3 9867 -31.097 5.301 6.566 1.00 0.00 WAT +ATOM 35912 OH2 TIP3 9868 -29.637 7.384 -4.257 1.00 0.00 WAT +ATOM 35913 H1 TIP3 9868 -29.221 6.889 -3.535 1.00 0.00 WAT +ATOM 35914 H2 TIP3 9868 -30.576 7.202 -4.072 1.00 0.00 WAT +ATOM 35915 OH2 TIP3 9869 -28.900 10.558 9.134 1.00 0.00 WAT +ATOM 35916 H1 TIP3 9869 -29.659 10.131 8.685 1.00 0.00 WAT +ATOM 35917 H2 TIP3 9869 -28.773 11.360 8.591 1.00 0.00 WAT +ATOM 35918 OH2 TIP3 9870 -41.103 -1.884 8.997 1.00 0.00 WAT +ATOM 35919 H1 TIP3 9870 -41.851 -1.662 8.410 1.00 0.00 WAT +ATOM 35920 H2 TIP3 9870 -41.224 -2.830 9.199 1.00 0.00 WAT +ATOM 35921 OH2 TIP3 9871 -28.182 5.891 -1.960 1.00 0.00 WAT +ATOM 35922 H1 TIP3 9871 -28.754 5.217 -1.552 1.00 0.00 WAT +ATOM 35923 H2 TIP3 9871 -27.395 5.796 -1.419 1.00 0.00 WAT +ATOM 35924 OH2 TIP3 9872 -41.288 9.737 7.264 1.00 0.00 WAT +ATOM 35925 H1 TIP3 9872 -41.109 8.789 7.312 1.00 0.00 WAT +ATOM 35926 H2 TIP3 9872 -40.925 10.026 8.109 1.00 0.00 WAT +ATOM 35927 OH2 TIP3 9873 -35.423 8.343 -5.758 1.00 0.00 WAT +ATOM 35928 H1 TIP3 9873 -35.184 7.515 -6.212 1.00 0.00 WAT +ATOM 35929 H2 TIP3 9873 -35.909 7.995 -4.975 1.00 0.00 WAT +ATOM 35930 OH2 TIP3 9874 -36.480 7.880 -3.252 1.00 0.00 WAT +ATOM 35931 H1 TIP3 9874 -36.453 7.272 -2.504 1.00 0.00 WAT +ATOM 35932 H2 TIP3 9874 -36.666 8.737 -2.829 1.00 0.00 WAT +ATOM 35933 OH2 TIP3 9875 -32.180 -1.925 7.792 1.00 0.00 WAT +ATOM 35934 H1 TIP3 9875 -31.314 -2.105 8.176 1.00 0.00 WAT +ATOM 35935 H2 TIP3 9875 -32.611 -2.796 7.848 1.00 0.00 WAT +ATOM 35936 OH2 TIP3 9876 -31.361 -2.789 -1.344 1.00 0.00 WAT +ATOM 35937 H1 TIP3 9876 -31.212 -2.239 -2.126 1.00 0.00 WAT +ATOM 35938 H2 TIP3 9876 -30.954 -2.269 -0.632 1.00 0.00 WAT +ATOM 35939 OH2 TIP3 9877 -33.563 9.704 -2.371 1.00 0.00 WAT +ATOM 35940 H1 TIP3 9877 -34.515 9.903 -2.320 1.00 0.00 WAT +ATOM 35941 H2 TIP3 9877 -33.365 9.899 -3.299 1.00 0.00 WAT +ATOM 35942 OH2 TIP3 9878 -34.051 -0.789 -0.434 1.00 0.00 WAT +ATOM 35943 H1 TIP3 9878 -33.293 -0.193 -0.278 1.00 0.00 WAT +ATOM 35944 H2 TIP3 9878 -34.338 -0.983 0.480 1.00 0.00 WAT +ATOM 35945 OH2 TIP3 9879 -33.858 0.067 8.865 1.00 0.00 WAT +ATOM 35946 H1 TIP3 9879 -33.504 0.629 9.569 1.00 0.00 WAT +ATOM 35947 H2 TIP3 9879 -33.181 -0.629 8.754 1.00 0.00 WAT +ATOM 35948 OH2 TIP3 9880 -33.413 -3.794 0.466 1.00 0.00 WAT +ATOM 35949 H1 TIP3 9880 -33.576 -3.182 1.206 1.00 0.00 WAT +ATOM 35950 H2 TIP3 9880 -32.687 -3.348 -0.010 1.00 0.00 WAT +ATOM 35951 OH2 TIP3 9881 -36.377 10.608 -2.432 1.00 0.00 WAT +ATOM 35952 H1 TIP3 9881 -36.516 11.418 -2.957 1.00 0.00 WAT +ATOM 35953 H2 TIP3 9881 -36.565 10.911 -1.526 1.00 0.00 WAT +ATOM 35954 OH2 TIP3 9882 -37.728 -2.755 -2.952 1.00 0.00 WAT +ATOM 35955 H1 TIP3 9882 -37.681 -1.981 -2.363 1.00 0.00 WAT +ATOM 35956 H2 TIP3 9882 -36.937 -3.250 -2.660 1.00 0.00 WAT +ATOM 35957 OH2 TIP3 9883 -28.739 1.876 3.797 1.00 0.00 WAT +ATOM 35958 H1 TIP3 9883 -29.538 1.473 3.402 1.00 0.00 WAT +ATOM 35959 H2 TIP3 9883 -28.237 1.089 4.049 1.00 0.00 WAT +ATOM 35960 OH2 TIP3 9884 -41.135 0.255 -4.721 1.00 0.00 WAT +ATOM 35961 H1 TIP3 9884 -41.029 1.199 -4.518 1.00 0.00 WAT +ATOM 35962 H2 TIP3 9884 -41.946 0.213 -5.234 1.00 0.00 WAT +ATOM 35963 OH2 TIP3 9885 -27.768 10.862 5.188 1.00 0.00 WAT +ATOM 35964 H1 TIP3 9885 -28.043 11.580 4.591 1.00 0.00 WAT +ATOM 35965 H2 TIP3 9885 -26.808 11.031 5.228 1.00 0.00 WAT +ATOM 35966 OH2 TIP3 9886 -40.411 -4.724 4.047 1.00 0.00 WAT +ATOM 35967 H1 TIP3 9886 -40.536 -4.775 3.084 1.00 0.00 WAT +ATOM 35968 H2 TIP3 9886 -40.708 -5.606 4.341 1.00 0.00 WAT +ATOM 35969 OH2 TIP3 9887 -41.297 9.139 0.351 1.00 0.00 WAT +ATOM 35970 H1 TIP3 9887 -42.255 9.053 0.237 1.00 0.00 WAT +ATOM 35971 H2 TIP3 9887 -40.978 8.810 -0.498 1.00 0.00 WAT +ATOM 35972 OH2 TIP3 9888 -42.147 11.664 11.481 1.00 0.00 WAT +ATOM 35973 H1 TIP3 9888 -41.510 11.661 12.220 1.00 0.00 WAT +ATOM 35974 H2 TIP3 9888 -42.144 10.705 11.313 1.00 0.00 WAT +ATOM 35975 OH2 TIP3 9889 -37.266 10.788 13.211 1.00 0.00 WAT +ATOM 35976 H1 TIP3 9889 -36.574 10.138 13.411 1.00 0.00 WAT +ATOM 35977 H2 TIP3 9889 -37.504 10.529 12.306 1.00 0.00 WAT +ATOM 35978 OH2 TIP3 9890 -33.235 10.022 -5.210 1.00 0.00 WAT +ATOM 35979 H1 TIP3 9890 -33.997 9.418 -5.365 1.00 0.00 WAT +ATOM 35980 H2 TIP3 9890 -32.527 9.513 -5.645 1.00 0.00 WAT +ATOM 35981 OH2 TIP3 9891 -30.612 8.918 11.731 1.00 0.00 WAT +ATOM 35982 H1 TIP3 9891 -31.165 8.238 12.164 1.00 0.00 WAT +ATOM 35983 H2 TIP3 9891 -30.090 9.257 12.483 1.00 0.00 WAT +ATOM 35984 OH2 TIP3 9892 -28.250 10.061 -5.358 1.00 0.00 WAT +ATOM 35985 H1 TIP3 9892 -28.232 9.158 -5.010 1.00 0.00 WAT +ATOM 35986 H2 TIP3 9892 -27.598 10.007 -6.068 1.00 0.00 WAT +ATOM 35987 OH2 TIP3 9893 -41.992 5.720 12.110 1.00 0.00 WAT +ATOM 35988 H1 TIP3 9893 -41.887 4.822 11.759 1.00 0.00 WAT +ATOM 35989 H2 TIP3 9893 -42.850 5.979 11.743 1.00 0.00 WAT +ATOM 35990 OH2 TIP3 9894 -37.775 5.711 -5.622 1.00 0.00 WAT +ATOM 35991 H1 TIP3 9894 -37.761 5.482 -4.679 1.00 0.00 WAT +ATOM 35992 H2 TIP3 9894 -36.837 5.674 -5.865 1.00 0.00 WAT +ATOM 35993 OH2 TIP3 9895 -35.393 5.560 11.884 1.00 0.00 WAT +ATOM 35994 H1 TIP3 9895 -35.695 5.882 11.018 1.00 0.00 WAT +ATOM 35995 H2 TIP3 9895 -35.302 4.595 11.734 1.00 0.00 WAT +ATOM 35996 OH2 TIP3 9896 -32.520 7.096 -5.816 1.00 0.00 WAT +ATOM 35997 H1 TIP3 9896 -32.638 7.039 -4.853 1.00 0.00 WAT +ATOM 35998 H2 TIP3 9896 -32.601 6.146 -6.052 1.00 0.00 WAT +ATOM 35999 OH2 TIP3 9897 -29.524 5.676 9.428 1.00 0.00 WAT +ATOM 36000 H1 TIP3 9897 -29.064 5.646 8.573 1.00 0.00 WAT +ATOM 36001 H2 TIP3 9897 -30.407 6.003 9.173 1.00 0.00 WAT +ATOM 36002 OH2 TIP3 9898 -41.347 2.407 11.881 1.00 0.00 WAT +ATOM 36003 H1 TIP3 9898 -40.544 1.868 11.748 1.00 0.00 WAT +ATOM 36004 H2 TIP3 9898 -41.223 2.708 12.792 1.00 0.00 WAT +ATOM 36005 OH2 TIP3 9899 -36.621 3.860 -3.067 1.00 0.00 WAT +ATOM 36006 H1 TIP3 9899 -37.383 3.492 -2.590 1.00 0.00 WAT +ATOM 36007 H2 TIP3 9899 -36.450 3.167 -3.734 1.00 0.00 WAT +ATOM 36008 OH2 TIP3 9900 -37.508 1.663 9.223 1.00 0.00 WAT +ATOM 36009 H1 TIP3 9900 -38.061 2.462 9.307 1.00 0.00 WAT +ATOM 36010 H2 TIP3 9900 -36.894 1.918 8.513 1.00 0.00 WAT +ATOM 36011 OH2 TIP3 9901 -35.772 1.841 -4.867 1.00 0.00 WAT +ATOM 36012 H1 TIP3 9901 -35.791 1.968 -5.832 1.00 0.00 WAT +ATOM 36013 H2 TIP3 9901 -34.814 1.840 -4.687 1.00 0.00 WAT +ATOM 36014 OH2 TIP3 9902 -32.179 4.351 12.720 1.00 0.00 WAT +ATOM 36015 H1 TIP3 9902 -31.293 4.144 12.387 1.00 0.00 WAT +ATOM 36016 H2 TIP3 9902 -32.463 3.488 13.050 1.00 0.00 WAT +ATOM 36017 OH2 TIP3 9903 -36.883 -1.069 10.330 1.00 0.00 WAT +ATOM 36018 H1 TIP3 9903 -36.802 -1.735 9.619 1.00 0.00 WAT +ATOM 36019 H2 TIP3 9903 -37.043 -0.268 9.803 1.00 0.00 WAT +ATOM 36020 OH2 TIP3 9904 -36.583 -2.543 7.783 1.00 0.00 WAT +ATOM 36021 H1 TIP3 9904 -36.045 -2.170 7.060 1.00 0.00 WAT +ATOM 36022 H2 TIP3 9904 -37.470 -2.588 7.373 1.00 0.00 WAT +ATOM 36023 OH2 TIP3 9905 -34.937 2.885 8.192 1.00 0.00 WAT +ATOM 36024 H1 TIP3 9905 -34.174 2.752 7.614 1.00 0.00 WAT +ATOM 36025 H2 TIP3 9905 -35.317 3.709 7.830 1.00 0.00 WAT +ATOM 36026 OH2 TIP3 9906 -30.405 0.606 13.050 1.00 0.00 WAT +ATOM 36027 H1 TIP3 9906 -30.147 -0.301 12.852 1.00 0.00 WAT +ATOM 36028 H2 TIP3 9906 -29.543 1.052 13.001 1.00 0.00 WAT +ATOM 36029 OH2 TIP3 9907 -29.535 3.504 11.300 1.00 0.00 WAT +ATOM 36030 H1 TIP3 9907 -29.696 4.241 10.682 1.00 0.00 WAT +ATOM 36031 H2 TIP3 9907 -28.600 3.303 11.103 1.00 0.00 WAT +ATOM 36032 OH2 TIP3 9908 -38.778 0.797 12.096 1.00 0.00 WAT +ATOM 36033 H1 TIP3 9908 -39.279 -0.041 12.070 1.00 0.00 WAT +ATOM 36034 H2 TIP3 9908 -37.987 0.561 11.587 1.00 0.00 WAT +ATOM 36035 OH2 TIP3 9909 -35.779 -5.285 8.116 1.00 0.00 WAT +ATOM 36036 H1 TIP3 9909 -35.977 -4.352 7.905 1.00 0.00 WAT +ATOM 36037 H2 TIP3 9909 -36.403 -5.750 7.524 1.00 0.00 WAT +ATOM 36038 OH2 TIP3 9910 -34.542 -0.754 12.026 1.00 0.00 WAT +ATOM 36039 H1 TIP3 9910 -35.122 -0.889 12.797 1.00 0.00 WAT +ATOM 36040 H2 TIP3 9910 -35.198 -0.894 11.314 1.00 0.00 WAT +ATOM 36041 OH2 TIP3 9911 -31.836 -1.623 10.862 1.00 0.00 WAT +ATOM 36042 H1 TIP3 9911 -32.800 -1.661 10.963 1.00 0.00 WAT +ATOM 36043 H2 TIP3 9911 -31.548 -2.272 11.517 1.00 0.00 WAT +ATOM 36044 OH2 TIP3 9912 -30.791 -2.952 13.416 1.00 0.00 WAT +ATOM 36045 H1 TIP3 9912 -30.436 -3.741 12.944 1.00 0.00 WAT +ATOM 36046 H2 TIP3 9912 -30.068 -2.747 14.023 1.00 0.00 WAT +ATOM 36047 OH2 TIP3 9913 -40.041 -1.742 11.947 1.00 0.00 WAT +ATOM 36048 H1 TIP3 9913 -40.163 -2.426 11.269 1.00 0.00 WAT +ATOM 36049 H2 TIP3 9913 -40.331 -2.201 12.755 1.00 0.00 WAT +ATOM 36050 OH2 TIP3 9914 -35.896 -5.718 10.998 1.00 0.00 WAT +ATOM 36051 H1 TIP3 9914 -35.309 -6.497 10.980 1.00 0.00 WAT +ATOM 36052 H2 TIP3 9914 -35.987 -5.567 10.034 1.00 0.00 WAT +ATOM 36053 OH2 TIP3 9915 -34.804 -3.843 13.018 1.00 0.00 WAT +ATOM 36054 H1 TIP3 9915 -34.971 -4.418 12.241 1.00 0.00 WAT +ATOM 36055 H2 TIP3 9915 -35.536 -3.208 12.920 1.00 0.00 WAT +ATOM 36056 OH2 TIP3 9916 -36.009 13.269 -3.691 1.00 0.00 WAT +ATOM 36057 H1 TIP3 9916 -35.045 13.205 -3.693 1.00 0.00 WAT +ATOM 36058 H2 TIP3 9916 -36.188 13.470 -4.618 1.00 0.00 WAT +ATOM 36059 OH2 TIP3 9917 -41.843 8.070 -4.630 1.00 0.00 WAT +ATOM 36060 H1 TIP3 9917 -41.411 7.832 -3.793 1.00 0.00 WAT +ATOM 36061 H2 TIP3 9917 -42.189 7.198 -4.877 1.00 0.00 WAT +ATOM 36062 OH2 TIP3 9918 -42.812 10.855 2.490 1.00 0.00 WAT +ATOM 36063 H1 TIP3 9918 -42.740 9.920 2.744 1.00 0.00 WAT +ATOM 36064 H2 TIP3 9918 -42.416 11.279 3.262 1.00 0.00 WAT +ATOM 36065 OH2 TIP3 9919 -25.066 11.900 5.487 1.00 0.00 WAT +ATOM 36066 H1 TIP3 9919 -24.907 12.024 6.434 1.00 0.00 WAT +ATOM 36067 H2 TIP3 9919 -24.284 12.324 5.107 1.00 0.00 WAT +ATOM 36068 OH2 TIP3 9920 -25.416 11.345 8.403 1.00 0.00 WAT +ATOM 36069 H1 TIP3 9920 -25.736 10.546 7.968 1.00 0.00 WAT +ATOM 36070 H2 TIP3 9920 -24.739 10.962 8.985 1.00 0.00 WAT +ATOM 36071 OH2 TIP3 9921 -27.511 7.219 12.471 1.00 0.00 WAT +ATOM 36072 H1 TIP3 9921 -28.147 6.888 13.137 1.00 0.00 WAT +ATOM 36073 H2 TIP3 9921 -26.805 7.580 13.043 1.00 0.00 WAT +ATOM 36074 OH2 TIP3 9922 -25.394 6.011 5.367 1.00 0.00 WAT +ATOM 36075 H1 TIP3 9922 -24.677 5.751 4.781 1.00 0.00 WAT +ATOM 36076 H2 TIP3 9922 -25.489 6.949 5.122 1.00 0.00 WAT +ATOM 36077 OH2 TIP3 9923 -27.261 8.517 8.113 1.00 0.00 WAT +ATOM 36078 H1 TIP3 9923 -27.697 9.385 8.098 1.00 0.00 WAT +ATOM 36079 H2 TIP3 9923 -27.362 8.245 7.178 1.00 0.00 WAT +ATOM 36080 OH2 TIP3 9924 -26.767 0.704 -4.649 1.00 0.00 WAT +ATOM 36081 H1 TIP3 9924 -26.575 1.198 -5.450 1.00 0.00 WAT +ATOM 36082 H2 TIP3 9924 -26.873 -0.200 -5.000 1.00 0.00 WAT +ATOM 36083 OH2 TIP3 9925 -27.489 1.984 0.909 1.00 0.00 WAT +ATOM 36084 H1 TIP3 9925 -27.335 1.026 0.913 1.00 0.00 WAT +ATOM 36085 H2 TIP3 9925 -27.598 2.167 1.850 1.00 0.00 WAT +ATOM 36086 OH2 TIP3 9926 -42.560 4.374 5.192 1.00 0.00 WAT +ATOM 36087 H1 TIP3 9926 -42.255 4.581 4.295 1.00 0.00 WAT +ATOM 36088 H2 TIP3 9926 -41.758 3.942 5.563 1.00 0.00 WAT +ATOM 36089 OH2 TIP3 9927 -26.733 3.704 10.567 1.00 0.00 WAT +ATOM 36090 H1 TIP3 9927 -26.125 2.941 10.578 1.00 0.00 WAT +ATOM 36091 H2 TIP3 9927 -26.153 4.412 10.266 1.00 0.00 WAT +ATOM 36092 OH2 TIP3 9928 -25.127 1.528 11.631 1.00 0.00 WAT +ATOM 36093 H1 TIP3 9928 -25.734 0.980 11.110 1.00 0.00 WAT +ATOM 36094 H2 TIP3 9928 -24.242 1.178 11.426 1.00 0.00 WAT +ATOM 36095 OH2 TIP3 9929 -27.238 -2.005 -5.360 1.00 0.00 WAT +ATOM 36096 H1 TIP3 9929 -26.902 -2.714 -4.811 1.00 0.00 WAT +ATOM 36097 H2 TIP3 9929 -28.029 -2.406 -5.751 1.00 0.00 WAT +ATOM 36098 OH2 TIP3 9930 -27.569 -0.714 -0.727 1.00 0.00 WAT +ATOM 36099 H1 TIP3 9930 -27.384 -1.649 -0.881 1.00 0.00 WAT +ATOM 36100 H2 TIP3 9930 -26.830 -0.255 -1.154 1.00 0.00 WAT +ATOM 36101 OH2 TIP3 9931 -26.803 0.669 7.464 1.00 0.00 WAT +ATOM 36102 H1 TIP3 9931 -27.717 0.863 7.707 1.00 0.00 WAT +ATOM 36103 H2 TIP3 9931 -26.454 1.525 7.198 1.00 0.00 WAT +ATOM 36104 OH2 TIP3 9932 -42.820 -0.674 11.484 1.00 0.00 WAT +ATOM 36105 H1 TIP3 9932 -42.008 -1.055 11.116 1.00 0.00 WAT +ATOM 36106 H2 TIP3 9932 -43.448 -1.410 11.442 1.00 0.00 WAT +ATOM 36107 OH2 TIP3 9933 -41.942 -2.148 4.440 1.00 0.00 WAT +ATOM 36108 H1 TIP3 9933 -41.590 -3.054 4.394 1.00 0.00 WAT +ATOM 36109 H2 TIP3 9933 -41.130 -1.625 4.572 1.00 0.00 WAT +ATOM 36110 OH2 TIP3 9934 -43.354 0.491 5.264 1.00 0.00 WAT +ATOM 36111 H1 TIP3 9934 -42.946 -0.089 4.602 1.00 0.00 WAT +ATOM 36112 H2 TIP3 9934 -43.086 1.360 4.940 1.00 0.00 WAT +ATOM 36113 OH2 TIP3 9935 -25.393 -3.121 11.214 1.00 0.00 WAT +ATOM 36114 H1 TIP3 9935 -26.283 -2.774 11.170 1.00 0.00 WAT +ATOM 36115 H2 TIP3 9935 -25.269 -3.505 10.335 1.00 0.00 WAT +ATOM 36116 OH2 TIP3 9936 -43.142 -3.428 -1.238 1.00 0.00 WAT +ATOM 36117 H1 TIP3 9936 -43.988 -3.112 -1.585 1.00 0.00 WAT +ATOM 36118 H2 TIP3 9936 -42.548 -2.706 -1.540 1.00 0.00 WAT +ATOM 36119 OH2 TIP3 9937 -28.266 12.096 1.284 1.00 0.00 WAT +ATOM 36120 H1 TIP3 9937 -27.794 11.776 0.496 1.00 0.00 WAT +ATOM 36121 H2 TIP3 9937 -27.535 12.430 1.818 1.00 0.00 WAT +ATOM 36122 OH2 TIP3 9938 -42.924 -4.425 7.161 1.00 0.00 WAT +ATOM 36123 H1 TIP3 9938 -43.626 -4.515 7.847 1.00 0.00 WAT +ATOM 36124 H2 TIP3 9938 -43.360 -3.986 6.415 1.00 0.00 WAT +ATOM 36125 OH2 TIP3 9939 -41.197 9.099 11.833 1.00 0.00 WAT +ATOM 36126 H1 TIP3 9939 -41.649 8.449 11.284 1.00 0.00 WAT +ATOM 36127 H2 TIP3 9939 -41.360 8.742 12.735 1.00 0.00 WAT +ATOM 36128 OH2 TIP3 9940 -38.023 9.770 7.770 1.00 0.00 WAT +ATOM 36129 H1 TIP3 9940 -38.334 10.590 7.348 1.00 0.00 WAT +ATOM 36130 H2 TIP3 9940 -37.069 9.831 7.563 1.00 0.00 WAT +ATOM 36131 OH2 TIP3 9941 -33.510 11.029 10.729 1.00 0.00 WAT +ATOM 36132 H1 TIP3 9941 -33.385 10.885 11.681 1.00 0.00 WAT +ATOM 36133 H2 TIP3 9941 -32.689 11.502 10.486 1.00 0.00 WAT +ATOM 36134 OH2 TIP3 9942 -31.228 12.493 9.972 1.00 0.00 WAT +ATOM 36135 H1 TIP3 9942 -30.546 11.847 9.734 1.00 0.00 WAT +ATOM 36136 H2 TIP3 9942 -30.906 12.802 10.841 1.00 0.00 WAT +ATOM 36137 OH2 TIP3 9943 -40.676 12.819 7.975 1.00 0.00 WAT +ATOM 36138 H1 TIP3 9943 -41.370 13.287 7.475 1.00 0.00 WAT +ATOM 36139 H2 TIP3 9943 -41.033 12.856 8.868 1.00 0.00 WAT +ATOM 36140 OH2 TIP3 9944 -38.162 12.485 6.637 1.00 0.00 WAT +ATOM 36141 H1 TIP3 9944 -39.044 12.641 7.034 1.00 0.00 WAT +ATOM 36142 H2 TIP3 9944 -38.162 13.121 5.901 1.00 0.00 WAT +ATOM 36143 OH2 TIP3 9945 -33.400 12.455 6.160 1.00 0.00 WAT +ATOM 36144 H1 TIP3 9945 -33.811 12.886 5.389 1.00 0.00 WAT +ATOM 36145 H2 TIP3 9945 -33.334 13.199 6.788 1.00 0.00 WAT +ATOM 36146 OH2 TIP3 9946 -31.077 11.163 7.107 1.00 0.00 WAT +ATOM 36147 H1 TIP3 9946 -31.918 11.515 6.758 1.00 0.00 WAT +ATOM 36148 H2 TIP3 9946 -30.511 11.949 7.065 1.00 0.00 WAT +ATOM 36149 OH2 TIP3 9947 -28.570 12.908 7.284 1.00 0.00 WAT +ATOM 36150 H1 TIP3 9947 -28.592 13.854 7.040 1.00 0.00 WAT +ATOM 36151 H2 TIP3 9947 -28.257 12.513 6.451 1.00 0.00 WAT +ATOM 36152 OH2 TIP3 9948 -41.228 11.564 4.965 1.00 0.00 WAT +ATOM 36153 H1 TIP3 9948 -41.322 11.080 5.810 1.00 0.00 WAT +ATOM 36154 H2 TIP3 9948 -40.503 11.062 4.544 1.00 0.00 WAT +ATOM 36155 OH2 TIP3 9949 -39.124 10.310 3.523 1.00 0.00 WAT +ATOM 36156 H1 TIP3 9949 -39.274 9.358 3.688 1.00 0.00 WAT +ATOM 36157 H2 TIP3 9949 -38.190 10.412 3.777 1.00 0.00 WAT +ATOM 36158 OH2 TIP3 9950 -36.252 10.723 4.309 1.00 0.00 WAT +ATOM 36159 H1 TIP3 9950 -36.118 9.794 4.051 1.00 0.00 WAT +ATOM 36160 H2 TIP3 9950 -36.246 10.640 5.275 1.00 0.00 WAT +ATOM 36161 OH2 TIP3 9951 -33.243 -3.637 3.543 1.00 0.00 WAT +ATOM 36162 H1 TIP3 9951 -33.806 -4.373 3.833 1.00 0.00 WAT +ATOM 36163 H2 TIP3 9951 -32.505 -4.115 3.133 1.00 0.00 WAT +ATOM 36164 OH2 TIP3 9952 -41.083 -4.844 1.164 1.00 0.00 WAT +ATOM 36165 H1 TIP3 9952 -41.785 -5.158 0.582 1.00 0.00 WAT +ATOM 36166 H2 TIP3 9952 -40.423 -5.552 1.060 1.00 0.00 WAT +ATOM 36167 OH2 TIP3 9953 -41.834 -5.224 -3.060 1.00 0.00 WAT +ATOM 36168 H1 TIP3 9953 -41.295 -4.555 -3.529 1.00 0.00 WAT +ATOM 36169 H2 TIP3 9953 -42.321 -4.663 -2.428 1.00 0.00 WAT +ATOM 36170 OH2 TIP3 9954 -36.236 -4.485 0.912 1.00 0.00 WAT +ATOM 36171 H1 TIP3 9954 -35.270 -4.522 0.829 1.00 0.00 WAT +ATOM 36172 H2 TIP3 9954 -36.348 -5.042 1.708 1.00 0.00 WAT +ATOM 36173 OH2 TIP3 9955 -30.508 -4.942 2.602 1.00 0.00 WAT +ATOM 36174 H1 TIP3 9955 -30.350 -5.141 1.676 1.00 0.00 WAT +ATOM 36175 H2 TIP3 9955 -30.524 -5.849 2.963 1.00 0.00 WAT +ATOM 36176 OH2 TIP3 9956 -29.076 -4.655 -1.523 1.00 0.00 WAT +ATOM 36177 H1 TIP3 9956 -29.946 -4.240 -1.640 1.00 0.00 WAT +ATOM 36178 H2 TIP3 9956 -29.317 -5.529 -1.180 1.00 0.00 WAT +ATOM 36179 OH2 TIP3 9957 -41.839 10.848 -2.098 1.00 0.00 WAT +ATOM 36180 H1 TIP3 9957 -42.538 10.626 -2.718 1.00 0.00 WAT +ATOM 36181 H2 TIP3 9957 -41.879 11.810 -2.048 1.00 0.00 WAT +ATOM 36182 OH2 TIP3 9958 -40.061 -3.355 -4.478 1.00 0.00 WAT +ATOM 36183 H1 TIP3 9958 -39.467 -3.907 -5.014 1.00 0.00 WAT +ATOM 36184 H2 TIP3 9958 -39.438 -3.036 -3.793 1.00 0.00 WAT +ATOM 36185 OH2 TIP3 9959 -34.956 -3.207 -1.953 1.00 0.00 WAT +ATOM 36186 H1 TIP3 9959 -34.697 -3.832 -1.255 1.00 0.00 WAT +ATOM 36187 H2 TIP3 9959 -34.787 -2.368 -1.494 1.00 0.00 WAT +ATOM 36188 OH2 TIP3 9960 -32.848 12.639 -3.697 1.00 0.00 WAT +ATOM 36189 H1 TIP3 9960 -31.886 12.495 -3.758 1.00 0.00 WAT +ATOM 36190 H2 TIP3 9960 -33.155 11.927 -4.282 1.00 0.00 WAT +ATOM 36191 OH2 TIP3 9961 -26.453 11.581 -1.157 1.00 0.00 WAT +ATOM 36192 H1 TIP3 9961 -26.656 10.706 -1.550 1.00 0.00 WAT +ATOM 36193 H2 TIP3 9961 -26.342 12.128 -1.950 1.00 0.00 WAT +ATOM 36194 OH2 TIP3 9962 -40.803 -4.433 10.705 1.00 0.00 WAT +ATOM 36195 H1 TIP3 9962 -41.234 -5.212 11.092 1.00 0.00 WAT +ATOM 36196 H2 TIP3 9962 -39.874 -4.590 10.941 1.00 0.00 WAT +ATOM 36197 OH2 TIP3 9963 -38.393 -5.039 12.521 1.00 0.00 WAT +ATOM 36198 H1 TIP3 9963 -37.590 -5.362 12.064 1.00 0.00 WAT +ATOM 36199 H2 TIP3 9963 -38.769 -5.869 12.862 1.00 0.00 WAT +ATOM 36200 OH2 TIP3 9964 -40.070 11.834 -4.978 1.00 0.00 WAT +ATOM 36201 H1 TIP3 9964 -40.436 11.908 -4.084 1.00 0.00 WAT +ATOM 36202 H2 TIP3 9964 -39.414 11.127 -4.862 1.00 0.00 WAT +ATOM 36203 OH2 TIP3 9965 -30.130 -5.624 12.679 1.00 0.00 WAT +ATOM 36204 H1 TIP3 9965 -30.081 -6.293 13.385 1.00 0.00 WAT +ATOM 36205 H2 TIP3 9965 -29.254 -5.742 12.254 1.00 0.00 WAT +ATOM 36206 OH2 TIP3 9966 -27.065 10.319 11.254 1.00 0.00 WAT +ATOM 36207 H1 TIP3 9966 -27.780 10.444 10.602 1.00 0.00 WAT +ATOM 36208 H2 TIP3 9966 -26.987 11.236 11.580 1.00 0.00 WAT +ATOM 36209 OH2 TIP3 9967 -19.628 9.652 10.329 1.00 0.00 WAT +ATOM 36210 H1 TIP3 9967 -19.478 9.059 9.584 1.00 0.00 WAT +ATOM 36211 H2 TIP3 9967 -20.325 9.182 10.825 1.00 0.00 WAT +ATOM 36212 OH2 TIP3 9968 -23.969 5.667 7.934 1.00 0.00 WAT +ATOM 36213 H1 TIP3 9968 -24.401 5.635 7.063 1.00 0.00 WAT +ATOM 36214 H2 TIP3 9968 -23.556 4.798 8.014 1.00 0.00 WAT +ATOM 36215 OH2 TIP3 9969 -24.133 8.690 4.906 1.00 0.00 WAT +ATOM 36216 H1 TIP3 9969 -23.221 8.463 4.708 1.00 0.00 WAT +ATOM 36217 H2 TIP3 9969 -24.023 9.405 5.550 1.00 0.00 WAT +ATOM 36218 OH2 TIP3 9970 -22.454 9.609 7.306 1.00 0.00 WAT +ATOM 36219 H1 TIP3 9970 -22.026 8.750 7.393 1.00 0.00 WAT +ATOM 36220 H2 TIP3 9970 -22.074 10.095 8.052 1.00 0.00 WAT +ATOM 36221 OH2 TIP3 9971 -23.171 11.748 11.477 1.00 0.00 WAT +ATOM 36222 H1 TIP3 9971 -22.520 11.463 12.151 1.00 0.00 WAT +ATOM 36223 H2 TIP3 9971 -23.411 10.875 11.117 1.00 0.00 WAT +ATOM 36224 OH2 TIP3 9972 -18.852 11.003 13.115 1.00 0.00 WAT +ATOM 36225 H1 TIP3 9972 -18.143 10.563 13.595 1.00 0.00 WAT +ATOM 36226 H2 TIP3 9972 -18.923 10.479 12.297 1.00 0.00 WAT +ATOM 36227 OH2 TIP3 9973 -23.296 5.225 12.502 1.00 0.00 WAT +ATOM 36228 H1 TIP3 9973 -22.739 4.505 12.127 1.00 0.00 WAT +ATOM 36229 H2 TIP3 9973 -23.735 5.532 11.710 1.00 0.00 WAT +ATOM 36230 OH2 TIP3 9974 -24.358 12.732 0.680 1.00 0.00 WAT +ATOM 36231 H1 TIP3 9974 -24.944 12.321 0.021 1.00 0.00 WAT +ATOM 36232 H2 TIP3 9974 -24.121 11.955 1.233 1.00 0.00 WAT +ATOM 36233 OH2 TIP3 9975 -23.827 10.654 2.406 1.00 0.00 WAT +ATOM 36234 H1 TIP3 9975 -24.038 9.734 2.624 1.00 0.00 WAT +ATOM 36235 H2 TIP3 9975 -23.399 10.954 3.219 1.00 0.00 WAT +ATOM 36236 OH2 TIP3 9976 -22.015 9.005 11.738 1.00 0.00 WAT +ATOM 36237 H1 TIP3 9976 -22.830 8.752 11.280 1.00 0.00 WAT +ATOM 36238 H2 TIP3 9976 -21.946 8.353 12.458 1.00 0.00 WAT +ATOM 36239 OH2 TIP3 9977 -21.660 12.588 7.796 1.00 0.00 WAT +ATOM 36240 H1 TIP3 9977 -22.164 13.332 7.430 1.00 0.00 WAT +ATOM 36241 H2 TIP3 9977 -21.765 12.732 8.740 1.00 0.00 WAT +ATOM 36242 OH2 TIP3 9978 -21.959 11.317 4.865 1.00 0.00 WAT +ATOM 36243 H1 TIP3 9978 -22.010 11.038 5.801 1.00 0.00 WAT +ATOM 36244 H2 TIP3 9978 -21.162 10.861 4.572 1.00 0.00 WAT +ATOM 36245 OH2 TIP3 9979 12.178 -0.734 8.138 1.00 0.00 WAT +ATOM 36246 H1 TIP3 9979 11.331 -0.283 8.045 1.00 0.00 WAT +ATOM 36247 H2 TIP3 9979 12.185 -1.004 9.053 1.00 0.00 WAT +ATOM 36248 OH2 TIP3 9980 10.527 3.884 10.709 1.00 0.00 WAT +ATOM 36249 H1 TIP3 9980 11.153 3.178 10.839 1.00 0.00 WAT +ATOM 36250 H2 TIP3 9980 11.022 4.672 10.931 1.00 0.00 WAT +ATOM 36251 OH2 TIP3 9981 12.832 1.074 10.821 1.00 0.00 WAT +ATOM 36252 H1 TIP3 9981 11.904 1.219 11.032 1.00 0.00 WAT +ATOM 36253 H2 TIP3 9981 13.124 0.553 11.573 1.00 0.00 WAT +ATOM 36254 OH2 TIP3 9982 -2.248 11.972 -5.454 1.00 0.00 WAT +ATOM 36255 H1 TIP3 9982 -2.735 12.099 -4.639 1.00 0.00 WAT +ATOM 36256 H2 TIP3 9982 -1.647 11.251 -5.246 1.00 0.00 WAT +ATOM 36257 OH2 TIP3 9983 28.101 8.097 5.352 1.00 0.00 WAT +ATOM 36258 H1 TIP3 9983 27.172 8.318 5.257 1.00 0.00 WAT +ATOM 36259 H2 TIP3 9983 28.493 8.870 4.900 1.00 0.00 WAT +ATOM 36260 OH2 TIP3 9984 29.352 6.433 8.655 1.00 0.00 WAT +ATOM 36261 H1 TIP3 9984 29.439 5.912 7.844 1.00 0.00 WAT +ATOM 36262 H2 TIP3 9984 29.500 7.338 8.309 1.00 0.00 WAT +ATOM 36263 OH2 TIP3 9985 19.717 3.137 5.298 1.00 0.00 WAT +ATOM 36264 H1 TIP3 9985 19.459 3.175 4.373 1.00 0.00 WAT +ATOM 36265 H2 TIP3 9985 19.138 3.774 5.724 1.00 0.00 WAT +ATOM 36266 OH2 TIP3 9986 32.141 9.316 10.545 1.00 0.00 WAT +ATOM 36267 H1 TIP3 9986 32.049 8.378 10.305 1.00 0.00 WAT +ATOM 36268 H2 TIP3 9986 31.218 9.539 10.795 1.00 0.00 WAT +ATOM 36269 OH2 TIP3 9987 16.309 1.064 7.845 1.00 0.00 WAT +ATOM 36270 H1 TIP3 9987 16.334 1.314 8.763 1.00 0.00 WAT +ATOM 36271 H2 TIP3 9987 15.963 0.165 7.818 1.00 0.00 WAT +ATOM 36272 OH2 TIP3 9988 20.266 -1.605 -4.845 1.00 0.00 WAT +ATOM 36273 H1 TIP3 9988 19.986 -2.483 -4.600 1.00 0.00 WAT +ATOM 36274 H2 TIP3 9988 19.715 -1.401 -5.606 1.00 0.00 WAT +ATOM 36275 OH2 TIP3 9989 16.161 -0.640 1.041 1.00 0.00 WAT +ATOM 36276 H1 TIP3 9989 15.319 -0.343 0.681 1.00 0.00 WAT +ATOM 36277 H2 TIP3 9989 16.408 -1.334 0.437 1.00 0.00 WAT +ATOM 36278 OH2 TIP3 9990 29.100 13.111 11.808 1.00 0.00 WAT +ATOM 36279 H1 TIP3 9990 29.274 13.604 10.988 1.00 0.00 WAT +ATOM 36280 H2 TIP3 9990 29.778 13.471 12.404 1.00 0.00 WAT +ATOM 36281 OH2 TIP3 9991 31.633 6.302 10.438 1.00 0.00 WAT +ATOM 36282 H1 TIP3 9991 30.710 6.510 10.204 1.00 0.00 WAT +ATOM 36283 H2 TIP3 9991 32.013 6.127 9.550 1.00 0.00 WAT +ATOM 36284 OH2 TIP3 9992 29.461 8.814 -2.245 1.00 0.00 WAT +ATOM 36285 H1 TIP3 9992 29.281 7.983 -1.786 1.00 0.00 WAT +ATOM 36286 H2 TIP3 9992 29.970 8.526 -3.007 1.00 0.00 WAT +ATOM 36287 OH2 TIP3 9993 27.561 10.441 9.014 1.00 0.00 WAT +ATOM 36288 H1 TIP3 9993 26.733 10.213 8.557 1.00 0.00 WAT +ATOM 36289 H2 TIP3 9993 27.725 11.330 8.650 1.00 0.00 WAT +ATOM 36290 OH2 TIP3 9994 31.530 11.287 -3.779 1.00 0.00 WAT +ATOM 36291 H1 TIP3 9994 32.159 11.896 -4.182 1.00 0.00 WAT +ATOM 36292 H2 TIP3 9994 30.691 11.744 -3.924 1.00 0.00 WAT +ATOM 36293 OH2 TIP3 9995 28.725 10.846 5.086 1.00 0.00 WAT +ATOM 36294 H1 TIP3 9995 28.480 11.598 4.513 1.00 0.00 WAT +ATOM 36295 H2 TIP3 9995 29.663 11.056 5.237 1.00 0.00 WAT +ATOM 36296 OH2 TIP3 9996 26.022 8.960 12.061 1.00 0.00 WAT +ATOM 36297 H1 TIP3 9996 25.638 8.108 12.274 1.00 0.00 WAT +ATOM 36298 H2 TIP3 9996 26.610 9.124 12.818 1.00 0.00 WAT +ATOM 36299 OH2 TIP3 9997 26.183 5.543 8.995 1.00 0.00 WAT +ATOM 36300 H1 TIP3 9997 27.085 5.880 8.923 1.00 0.00 WAT +ATOM 36301 H2 TIP3 9997 25.693 6.274 9.387 1.00 0.00 WAT +ATOM 36302 OH2 TIP3 9998 27.096 3.625 11.080 1.00 0.00 WAT +ATOM 36303 H1 TIP3 9998 26.610 4.101 10.384 1.00 0.00 WAT +ATOM 36304 H2 TIP3 9998 27.992 3.577 10.689 1.00 0.00 WAT +ATOM 36305 OH2 TIP3 9999 31.435 11.982 5.517 1.00 0.00 WAT +ATOM 36306 H1 TIP3 9999 31.582 11.968 6.474 1.00 0.00 WAT +ATOM 36307 H2 TIP3 9999 32.302 12.260 5.190 1.00 0.00 WAT +ATOM 36308 OH2 TIP3 10000 31.292 11.417 8.389 1.00 0.00 WAT +ATOM 36309 H1 TIP3 10000 30.779 10.672 8.028 1.00 0.00 WAT +ATOM 36310 H2 TIP3 10000 31.861 10.948 9.017 1.00 0.00 WAT +ATOM 36311 OH2 TIP3 10001 29.304 6.843 12.713 1.00 0.00 WAT +ATOM 36312 H1 TIP3 10001 28.415 6.955 13.085 1.00 0.00 WAT +ATOM 36313 H2 TIP3 10001 29.759 7.662 12.975 1.00 0.00 WAT +ATOM 36314 OH2 TIP3 10002 31.082 6.115 5.545 1.00 0.00 WAT +ATOM 36315 H1 TIP3 10002 31.709 5.792 4.890 1.00 0.00 WAT +ATOM 36316 H2 TIP3 10002 30.912 7.010 5.213 1.00 0.00 WAT +ATOM 36317 OH2 TIP3 10003 29.572 9.044 7.663 1.00 0.00 WAT +ATOM 36318 H1 TIP3 10003 28.842 9.499 8.128 1.00 0.00 WAT +ATOM 36319 H2 TIP3 10003 29.144 8.800 6.819 1.00 0.00 WAT +ATOM 36320 OH2 TIP3 10004 29.775 3.805 10.444 1.00 0.00 WAT +ATOM 36321 H1 TIP3 10004 30.577 3.277 10.306 1.00 0.00 WAT +ATOM 36322 H2 TIP3 10004 30.067 4.672 10.124 1.00 0.00 WAT +ATOM 36323 OH2 TIP3 10005 31.753 2.105 11.342 1.00 0.00 WAT +ATOM 36324 H1 TIP3 10005 30.860 1.791 11.478 1.00 0.00 WAT +ATOM 36325 H2 TIP3 10005 32.284 1.285 11.378 1.00 0.00 WAT +ATOM 36326 OH2 TIP3 10006 31.884 -5.158 12.926 1.00 0.00 WAT +ATOM 36327 H1 TIP3 10006 32.061 -5.938 12.371 1.00 0.00 WAT +ATOM 36328 H2 TIP3 10006 31.861 -4.467 12.247 1.00 0.00 WAT +ATOM 36329 OH2 TIP3 10007 13.224 0.898 4.736 1.00 0.00 WAT +ATOM 36330 H1 TIP3 10007 13.429 0.130 4.189 1.00 0.00 WAT +ATOM 36331 H2 TIP3 10007 13.925 0.876 5.383 1.00 0.00 WAT +ATOM 36332 OH2 TIP3 10008 31.359 -3.268 10.776 1.00 0.00 WAT +ATOM 36333 H1 TIP3 10008 30.443 -3.224 11.059 1.00 0.00 WAT +ATOM 36334 H2 TIP3 10008 31.311 -4.051 10.194 1.00 0.00 WAT +ATOM 36335 OH2 TIP3 10009 28.116 11.718 1.190 1.00 0.00 WAT +ATOM 36336 H1 TIP3 10009 28.723 11.419 0.503 1.00 0.00 WAT +ATOM 36337 H2 TIP3 10009 28.671 12.236 1.775 1.00 0.00 WAT +ATOM 36338 OH2 TIP3 10010 24.955 12.236 9.948 1.00 0.00 WAT +ATOM 36339 H1 TIP3 10010 25.619 11.564 9.762 1.00 0.00 WAT +ATOM 36340 H2 TIP3 10010 25.214 12.523 10.839 1.00 0.00 WAT +ATOM 36341 OH2 TIP3 10011 15.641 12.732 7.865 1.00 0.00 WAT +ATOM 36342 H1 TIP3 10011 14.814 13.146 7.587 1.00 0.00 WAT +ATOM 36343 H2 TIP3 10011 15.550 12.782 8.828 1.00 0.00 WAT +ATOM 36344 OH2 TIP3 10012 18.557 12.394 6.900 1.00 0.00 WAT +ATOM 36345 H1 TIP3 10012 17.634 12.230 7.156 1.00 0.00 WAT +ATOM 36346 H2 TIP3 10012 18.481 12.668 5.983 1.00 0.00 WAT +ATOM 36347 OH2 TIP3 10013 23.275 12.419 6.015 1.00 0.00 WAT +ATOM 36348 H1 TIP3 10013 22.913 12.974 5.312 1.00 0.00 WAT +ATOM 36349 H2 TIP3 10013 23.194 13.006 6.780 1.00 0.00 WAT +ATOM 36350 OH2 TIP3 10014 25.463 10.888 7.051 1.00 0.00 WAT +ATOM 36351 H1 TIP3 10014 24.620 11.200 6.657 1.00 0.00 WAT +ATOM 36352 H2 TIP3 10014 26.004 11.676 6.895 1.00 0.00 WAT +ATOM 36353 OH2 TIP3 10015 28.008 12.856 7.307 1.00 0.00 WAT +ATOM 36354 H1 TIP3 10015 27.866 13.791 7.065 1.00 0.00 WAT +ATOM 36355 H2 TIP3 10015 28.261 12.488 6.443 1.00 0.00 WAT +ATOM 36356 OH2 TIP3 10016 30.106 11.613 -1.048 1.00 0.00 WAT +ATOM 36357 H1 TIP3 10016 29.942 10.734 -1.445 1.00 0.00 WAT +ATOM 36358 H2 TIP3 10016 30.134 12.168 -1.836 1.00 0.00 WAT +ATOM 36359 OH2 TIP3 10017 29.554 10.341 11.301 1.00 0.00 WAT +ATOM 36360 H1 TIP3 10017 28.801 10.147 10.716 1.00 0.00 WAT +ATOM 36361 H2 TIP3 10017 29.411 11.293 11.476 1.00 0.00 WAT +ATOM 36362 OH2 TIP3 10018 42.119 3.153 4.563 1.00 0.00 WAT +ATOM 36363 H1 TIP3 10018 42.905 3.411 5.080 1.00 0.00 WAT +ATOM 36364 H2 TIP3 10018 42.479 3.106 3.670 1.00 0.00 WAT +ATOM 36365 OH2 TIP3 10019 34.947 3.268 6.129 1.00 0.00 WAT +ATOM 36366 H1 TIP3 10019 34.923 2.436 6.623 1.00 0.00 WAT +ATOM 36367 H2 TIP3 10019 35.784 3.658 6.400 1.00 0.00 WAT +ATOM 36368 OH2 TIP3 10020 35.793 7.634 4.668 1.00 0.00 WAT +ATOM 36369 H1 TIP3 10020 35.539 6.748 4.328 1.00 0.00 WAT +ATOM 36370 H2 TIP3 10020 36.733 7.485 4.849 1.00 0.00 WAT +ATOM 36371 OH2 TIP3 10021 41.195 5.997 5.200 1.00 0.00 WAT +ATOM 36372 H1 TIP3 10021 41.448 5.268 4.609 1.00 0.00 WAT +ATOM 36373 H2 TIP3 10021 42.047 6.212 5.601 1.00 0.00 WAT +ATOM 36374 OH2 TIP3 10022 37.400 -1.746 2.728 1.00 0.00 WAT +ATOM 36375 H1 TIP3 10022 37.614 -0.900 2.296 1.00 0.00 WAT +ATOM 36376 H2 TIP3 10022 37.080 -2.263 1.961 1.00 0.00 WAT +ATOM 36377 OH2 TIP3 10023 33.846 1.262 3.241 1.00 0.00 WAT +ATOM 36378 H1 TIP3 10023 34.081 0.705 3.991 1.00 0.00 WAT +ATOM 36379 H2 TIP3 10023 33.794 0.639 2.512 1.00 0.00 WAT +ATOM 36380 OH2 TIP3 10024 39.436 2.413 2.678 1.00 0.00 WAT +ATOM 36381 H1 TIP3 10024 40.225 1.954 3.033 1.00 0.00 WAT +ATOM 36382 H2 TIP3 10024 39.026 1.684 2.181 1.00 0.00 WAT +ATOM 36383 OH2 TIP3 10025 36.250 -2.805 6.808 1.00 0.00 WAT +ATOM 36384 H1 TIP3 10025 35.824 -2.353 6.055 1.00 0.00 WAT +ATOM 36385 H2 TIP3 10025 35.586 -2.661 7.504 1.00 0.00 WAT +ATOM 36386 OH2 TIP3 10026 39.165 4.952 6.988 1.00 0.00 WAT +ATOM 36387 H1 TIP3 10026 38.436 5.563 7.217 1.00 0.00 WAT +ATOM 36388 H2 TIP3 10026 39.812 5.547 6.567 1.00 0.00 WAT +ATOM 36389 OH2 TIP3 10027 35.603 -0.945 4.805 1.00 0.00 WAT +ATOM 36390 H1 TIP3 10027 36.232 -0.290 5.151 1.00 0.00 WAT +ATOM 36391 H2 TIP3 10027 36.086 -1.277 4.028 1.00 0.00 WAT +ATOM 36392 OH2 TIP3 10028 37.167 6.889 7.689 1.00 0.00 WAT +ATOM 36393 H1 TIP3 10028 37.123 7.802 7.351 1.00 0.00 WAT +ATOM 36394 H2 TIP3 10028 36.288 6.813 8.099 1.00 0.00 WAT +ATOM 36395 OH2 TIP3 10029 40.357 -5.392 3.984 1.00 0.00 WAT +ATOM 36396 H1 TIP3 10029 40.120 -6.337 3.966 1.00 0.00 WAT +ATOM 36397 H2 TIP3 10029 39.528 -4.999 4.321 1.00 0.00 WAT +ATOM 36398 OH2 TIP3 10030 42.646 3.403 -1.429 1.00 0.00 WAT +ATOM 36399 H1 TIP3 10030 42.000 4.118 -1.588 1.00 0.00 WAT +ATOM 36400 H2 TIP3 10030 43.406 3.727 -1.922 1.00 0.00 WAT +ATOM 36401 OH2 TIP3 10031 42.899 1.925 -4.247 1.00 0.00 WAT +ATOM 36402 H1 TIP3 10031 43.673 1.947 -3.659 1.00 0.00 WAT +ATOM 36403 H2 TIP3 10031 43.028 1.125 -4.762 1.00 0.00 WAT +ATOM 36404 OH2 TIP3 10032 37.816 4.490 1.545 1.00 0.00 WAT +ATOM 36405 H1 TIP3 10032 37.438 4.093 0.754 1.00 0.00 WAT +ATOM 36406 H2 TIP3 10032 38.401 3.785 1.886 1.00 0.00 WAT +ATOM 36407 OH2 TIP3 10033 38.958 7.692 4.316 1.00 0.00 WAT +ATOM 36408 H1 TIP3 10033 38.884 7.336 3.419 1.00 0.00 WAT +ATOM 36409 H2 TIP3 10033 39.765 7.249 4.641 1.00 0.00 WAT +ATOM 36410 OH2 TIP3 10034 38.031 3.174 5.061 1.00 0.00 WAT +ATOM 36411 H1 TIP3 10034 38.640 3.115 4.300 1.00 0.00 WAT +ATOM 36412 H2 TIP3 10034 38.497 3.790 5.658 1.00 0.00 WAT +ATOM 36413 OH2 TIP3 10035 39.036 7.505 9.873 1.00 0.00 WAT +ATOM 36414 H1 TIP3 10035 38.494 8.163 10.340 1.00 0.00 WAT +ATOM 36415 H2 TIP3 10035 38.419 7.207 9.176 1.00 0.00 WAT +ATOM 36416 OH2 TIP3 10036 36.005 3.842 8.985 1.00 0.00 WAT +ATOM 36417 H1 TIP3 10036 35.959 4.377 9.795 1.00 0.00 WAT +ATOM 36418 H2 TIP3 10036 35.069 3.739 8.755 1.00 0.00 WAT +ATOM 36419 OH2 TIP3 10037 42.396 9.573 0.819 1.00 0.00 WAT +ATOM 36420 H1 TIP3 10037 42.990 10.064 1.411 1.00 0.00 WAT +ATOM 36421 H2 TIP3 10037 41.979 10.281 0.315 1.00 0.00 WAT +ATOM 36422 OH2 TIP3 10038 37.108 9.679 10.704 1.00 0.00 WAT +ATOM 36423 H1 TIP3 10038 37.022 9.699 9.733 1.00 0.00 WAT +ATOM 36424 H2 TIP3 10038 36.231 9.368 10.996 1.00 0.00 WAT +ATOM 36425 OH2 TIP3 10039 32.613 5.786 7.879 1.00 0.00 WAT +ATOM 36426 H1 TIP3 10039 32.107 5.833 7.038 1.00 0.00 WAT +ATOM 36427 H2 TIP3 10039 32.792 4.822 7.935 1.00 0.00 WAT +ATOM 36428 OH2 TIP3 10040 32.569 8.650 4.732 1.00 0.00 WAT +ATOM 36429 H1 TIP3 10040 33.491 8.352 4.755 1.00 0.00 WAT +ATOM 36430 H2 TIP3 10040 32.541 9.264 5.477 1.00 0.00 WAT +ATOM 36431 OH2 TIP3 10041 41.747 8.487 9.425 1.00 0.00 WAT +ATOM 36432 H1 TIP3 10041 41.781 9.401 9.738 1.00 0.00 WAT +ATOM 36433 H2 TIP3 10041 40.821 8.225 9.578 1.00 0.00 WAT +ATOM 36434 OH2 TIP3 10042 41.720 12.409 -0.749 1.00 0.00 WAT +ATOM 36435 H1 TIP3 10042 42.063 12.322 -1.650 1.00 0.00 WAT +ATOM 36436 H2 TIP3 10042 42.138 13.209 -0.412 1.00 0.00 WAT +ATOM 36437 OH2 TIP3 10043 35.616 11.427 0.921 1.00 0.00 WAT +ATOM 36438 H1 TIP3 10043 35.813 10.941 1.745 1.00 0.00 WAT +ATOM 36439 H2 TIP3 10043 34.868 10.899 0.590 1.00 0.00 WAT +ATOM 36440 OH2 TIP3 10044 34.714 7.346 9.107 1.00 0.00 WAT +ATOM 36441 H1 TIP3 10044 35.045 6.826 9.868 1.00 0.00 WAT +ATOM 36442 H2 TIP3 10044 34.029 6.768 8.722 1.00 0.00 WAT +ATOM 36443 OH2 TIP3 10045 37.737 -4.385 4.741 1.00 0.00 WAT +ATOM 36444 H1 TIP3 10045 36.840 -4.452 4.362 1.00 0.00 WAT +ATOM 36445 H2 TIP3 10045 37.642 -3.559 5.240 1.00 0.00 WAT +ATOM 36446 OH2 TIP3 10046 42.312 -4.856 9.103 1.00 0.00 WAT +ATOM 36447 H1 TIP3 10046 42.455 -5.601 9.705 1.00 0.00 WAT +ATOM 36448 H2 TIP3 10046 41.413 -5.057 8.769 1.00 0.00 WAT +ATOM 36449 OH2 TIP3 10047 42.325 -2.077 -4.166 1.00 0.00 WAT +ATOM 36450 H1 TIP3 10047 41.677 -2.260 -3.473 1.00 0.00 WAT +ATOM 36451 H2 TIP3 10047 42.043 -2.711 -4.843 1.00 0.00 WAT +ATOM 36452 OH2 TIP3 10048 37.689 0.513 6.200 1.00 0.00 WAT +ATOM 36453 H1 TIP3 10048 37.040 0.612 6.915 1.00 0.00 WAT +ATOM 36454 H2 TIP3 10048 37.738 1.415 5.826 1.00 0.00 WAT +ATOM 36455 OH2 TIP3 10049 37.840 0.444 1.011 1.00 0.00 WAT +ATOM 36456 H1 TIP3 10049 36.888 0.345 0.857 1.00 0.00 WAT +ATOM 36457 H2 TIP3 10049 38.188 0.214 0.122 1.00 0.00 WAT +ATOM 36458 OH2 TIP3 10050 42.798 0.970 0.252 1.00 0.00 WAT +ATOM 36459 H1 TIP3 10050 42.644 1.924 0.124 1.00 0.00 WAT +ATOM 36460 H2 TIP3 10050 43.186 0.733 -0.594 1.00 0.00 WAT +ATOM 36461 OH2 TIP3 10051 42.517 1.462 11.470 1.00 0.00 WAT +ATOM 36462 H1 TIP3 10051 41.937 0.676 11.577 1.00 0.00 WAT +ATOM 36463 H2 TIP3 10051 43.381 1.004 11.478 1.00 0.00 WAT +ATOM 36464 OH2 TIP3 10052 35.180 0.752 7.997 1.00 0.00 WAT +ATOM 36465 H1 TIP3 10052 35.475 1.048 8.865 1.00 0.00 WAT +ATOM 36466 H2 TIP3 10052 34.861 -0.149 8.176 1.00 0.00 WAT +ATOM 36467 OH2 TIP3 10053 38.598 -1.619 -5.323 1.00 0.00 WAT +ATOM 36468 H1 TIP3 10053 38.173 -2.060 -4.565 1.00 0.00 WAT +ATOM 36469 H2 TIP3 10053 37.855 -1.514 -5.937 1.00 0.00 WAT +ATOM 36470 OH2 TIP3 10054 33.682 -1.121 -2.371 1.00 0.00 WAT +ATOM 36471 H1 TIP3 10054 33.951 -0.909 -3.274 1.00 0.00 WAT +ATOM 36472 H2 TIP3 10054 32.738 -0.963 -2.395 1.00 0.00 WAT +ATOM 36473 OH2 TIP3 10055 43.515 1.970 7.519 1.00 0.00 WAT +ATOM 36474 H1 TIP3 10055 43.788 1.354 6.806 1.00 0.00 WAT +ATOM 36475 H2 TIP3 10055 42.714 1.526 7.825 1.00 0.00 WAT +ATOM 36476 OH2 TIP3 10056 40.456 -2.010 2.160 1.00 0.00 WAT +ATOM 36477 H1 TIP3 10056 39.528 -1.909 2.422 1.00 0.00 WAT +ATOM 36478 H2 TIP3 10056 40.901 -1.739 2.981 1.00 0.00 WAT +ATOM 36479 OH2 TIP3 10057 34.886 -0.475 0.734 1.00 0.00 WAT +ATOM 36480 H1 TIP3 10057 34.148 -0.341 0.123 1.00 0.00 WAT +ATOM 36481 H2 TIP3 10057 35.237 -1.327 0.420 1.00 0.00 WAT +ATOM 36482 OH2 TIP3 10058 38.710 -0.203 -1.558 1.00 0.00 WAT +ATOM 36483 H1 TIP3 10058 39.680 -0.155 -1.503 1.00 0.00 WAT +ATOM 36484 H2 TIP3 10058 38.490 0.368 -2.315 1.00 0.00 WAT +ATOM 36485 OH2 TIP3 10059 37.151 1.051 -3.744 1.00 0.00 WAT +ATOM 36486 H1 TIP3 10059 36.572 0.774 -4.473 1.00 0.00 WAT +ATOM 36487 H2 TIP3 10059 37.973 1.210 -4.233 1.00 0.00 WAT +ATOM 36488 OH2 TIP3 10060 35.815 5.803 11.250 1.00 0.00 WAT +ATOM 36489 H1 TIP3 10060 36.507 5.864 11.941 1.00 0.00 WAT +ATOM 36490 H2 TIP3 10060 35.023 5.762 11.813 1.00 0.00 WAT +ATOM 36491 OH2 TIP3 10061 41.378 0.358 3.536 1.00 0.00 WAT +ATOM 36492 H1 TIP3 10061 42.190 0.086 3.090 1.00 0.00 WAT +ATOM 36493 H2 TIP3 10061 41.641 0.305 4.471 1.00 0.00 WAT +ATOM 36494 OH2 TIP3 10062 36.662 -2.877 0.278 1.00 0.00 WAT +ATOM 36495 H1 TIP3 10062 36.125 -3.690 0.290 1.00 0.00 WAT +ATOM 36496 H2 TIP3 10062 37.409 -3.143 -0.273 1.00 0.00 WAT +ATOM 36497 OH2 TIP3 10063 40.472 -0.885 6.264 1.00 0.00 WAT +ATOM 36498 H1 TIP3 10063 39.768 -0.238 6.098 1.00 0.00 WAT +ATOM 36499 H2 TIP3 10063 40.979 -0.462 6.979 1.00 0.00 WAT +ATOM 36500 OH2 TIP3 10064 40.719 5.435 -1.882 1.00 0.00 WAT +ATOM 36501 H1 TIP3 10064 39.894 5.010 -2.193 1.00 0.00 WAT +ATOM 36502 H2 TIP3 10064 40.536 5.612 -0.932 1.00 0.00 WAT +ATOM 36503 OH2 TIP3 10065 42.029 5.471 9.386 1.00 0.00 WAT +ATOM 36504 H1 TIP3 10065 41.850 5.383 10.324 1.00 0.00 WAT +ATOM 36505 H2 TIP3 10065 42.143 6.427 9.262 1.00 0.00 WAT +ATOM 36506 OH2 TIP3 10066 35.649 4.992 3.658 1.00 0.00 WAT +ATOM 36507 H1 TIP3 10066 36.450 4.814 3.143 1.00 0.00 WAT +ATOM 36508 H2 TIP3 10066 35.517 4.165 4.157 1.00 0.00 WAT +ATOM 36509 OH2 TIP3 10067 42.955 6.870 -2.997 1.00 0.00 WAT +ATOM 36510 H1 TIP3 10067 42.980 7.653 -2.427 1.00 0.00 WAT +ATOM 36511 H2 TIP3 10067 42.277 6.338 -2.545 1.00 0.00 WAT +ATOM 36512 OH2 TIP3 10068 32.893 3.236 8.900 1.00 0.00 WAT +ATOM 36513 H1 TIP3 10068 33.074 2.862 9.782 1.00 0.00 WAT +ATOM 36514 H2 TIP3 10068 32.414 2.522 8.460 1.00 0.00 WAT +ATOM 36515 OH2 TIP3 10069 40.013 2.777 11.198 1.00 0.00 WAT +ATOM 36516 H1 TIP3 10069 39.657 2.491 10.337 1.00 0.00 WAT +ATOM 36517 H2 TIP3 10069 40.950 2.526 11.102 1.00 0.00 WAT +ATOM 36518 OH2 TIP3 10070 38.112 8.307 1.226 1.00 0.00 WAT +ATOM 36519 H1 TIP3 10070 38.561 9.150 1.060 1.00 0.00 WAT +ATOM 36520 H2 TIP3 10070 37.217 8.491 0.915 1.00 0.00 WAT +ATOM 36521 OH2 TIP3 10071 40.127 6.095 0.768 1.00 0.00 WAT +ATOM 36522 H1 TIP3 10071 39.855 7.011 0.930 1.00 0.00 WAT +ATOM 36523 H2 TIP3 10071 39.426 5.601 1.218 1.00 0.00 WAT +ATOM 36524 OH2 TIP3 10072 40.195 10.286 7.217 1.00 0.00 WAT +ATOM 36525 H1 TIP3 10072 40.773 10.994 6.856 1.00 0.00 WAT +ATOM 36526 H2 TIP3 10072 40.850 9.739 7.671 1.00 0.00 WAT +ATOM 36527 OH2 TIP3 10073 38.577 11.185 0.405 1.00 0.00 WAT +ATOM 36528 H1 TIP3 10073 37.624 11.340 0.478 1.00 0.00 WAT +ATOM 36529 H2 TIP3 10073 38.949 12.056 0.634 1.00 0.00 WAT +ATOM 36530 OH2 TIP3 10074 34.258 -2.030 8.808 1.00 0.00 WAT +ATOM 36531 H1 TIP3 10074 33.353 -1.868 8.512 1.00 0.00 WAT +ATOM 36532 H2 TIP3 10074 34.190 -2.890 9.259 1.00 0.00 WAT +ATOM 36533 OH2 TIP3 10075 34.107 9.692 7.214 1.00 0.00 WAT +ATOM 36534 H1 TIP3 10075 34.406 8.779 7.335 1.00 0.00 WAT +ATOM 36535 H2 TIP3 10075 34.374 10.077 8.057 1.00 0.00 WAT +ATOM 36536 OH2 TIP3 10076 39.901 8.365 -5.809 1.00 0.00 WAT +ATOM 36537 H1 TIP3 10076 40.290 7.586 -6.249 1.00 0.00 WAT +ATOM 36538 H2 TIP3 10076 39.575 7.960 -4.985 1.00 0.00 WAT +ATOM 36539 OH2 TIP3 10077 38.826 7.808 -3.084 1.00 0.00 WAT +ATOM 36540 H1 TIP3 10077 39.331 7.300 -2.434 1.00 0.00 WAT +ATOM 36541 H2 TIP3 10077 38.954 8.726 -2.768 1.00 0.00 WAT +ATOM 36542 OH2 TIP3 10078 43.370 -1.772 7.893 1.00 0.00 WAT +ATOM 36543 H1 TIP3 10078 43.769 -2.560 8.269 1.00 0.00 WAT +ATOM 36544 H2 TIP3 10078 42.782 -2.152 7.222 1.00 0.00 WAT +ATOM 36545 OH2 TIP3 10079 41.680 9.549 -2.430 1.00 0.00 WAT +ATOM 36546 H1 TIP3 10079 40.846 10.033 -2.320 1.00 0.00 WAT +ATOM 36547 H2 TIP3 10079 42.097 10.006 -3.163 1.00 0.00 WAT +ATOM 36548 OH2 TIP3 10080 41.199 -1.054 -0.446 1.00 0.00 WAT +ATOM 36549 H1 TIP3 10080 41.842 -0.364 -0.176 1.00 0.00 WAT +ATOM 36550 H2 TIP3 10080 40.862 -1.274 0.445 1.00 0.00 WAT +ATOM 36551 OH2 TIP3 10081 41.599 0.044 8.791 1.00 0.00 WAT +ATOM 36552 H1 TIP3 10081 41.876 0.611 9.520 1.00 0.00 WAT +ATOM 36553 H2 TIP3 10081 42.337 -0.592 8.696 1.00 0.00 WAT +ATOM 36554 OH2 TIP3 10082 41.917 -3.854 0.722 1.00 0.00 WAT +ATOM 36555 H1 TIP3 10082 41.653 -3.077 1.268 1.00 0.00 WAT +ATOM 36556 H2 TIP3 10082 42.728 -3.516 0.303 1.00 0.00 WAT +ATOM 36557 OH2 TIP3 10083 38.927 10.550 -2.452 1.00 0.00 WAT +ATOM 36558 H1 TIP3 10083 38.897 11.380 -2.968 1.00 0.00 WAT +ATOM 36559 H2 TIP3 10083 38.823 10.873 -1.538 1.00 0.00 WAT +ATOM 36560 OH2 TIP3 10084 37.668 -2.792 -2.935 1.00 0.00 WAT +ATOM 36561 H1 TIP3 10084 37.703 -1.977 -2.408 1.00 0.00 WAT +ATOM 36562 H2 TIP3 10084 38.500 -3.235 -2.693 1.00 0.00 WAT +ATOM 36563 OH2 TIP3 10085 35.996 8.190 -3.981 1.00 0.00 WAT +ATOM 36564 H1 TIP3 10085 36.725 8.510 -3.433 1.00 0.00 WAT +ATOM 36565 H2 TIP3 10085 36.365 7.344 -4.265 1.00 0.00 WAT +ATOM 36566 OH2 TIP3 10086 34.912 -4.896 4.200 1.00 0.00 WAT +ATOM 36567 H1 TIP3 10086 34.647 -4.679 3.299 1.00 0.00 WAT +ATOM 36568 H2 TIP3 10086 34.497 -5.759 4.332 1.00 0.00 WAT +ATOM 36569 OH2 TIP3 10087 34.174 8.831 0.329 1.00 0.00 WAT +ATOM 36570 H1 TIP3 10087 33.217 8.946 0.329 1.00 0.00 WAT +ATOM 36571 H2 TIP3 10087 34.405 9.099 -0.568 1.00 0.00 WAT +ATOM 36572 OH2 TIP3 10088 33.465 11.734 11.418 1.00 0.00 WAT +ATOM 36573 H1 TIP3 10088 34.033 11.448 12.159 1.00 0.00 WAT +ATOM 36574 H2 TIP3 10088 33.074 10.885 11.130 1.00 0.00 WAT +ATOM 36575 OH2 TIP3 10089 38.137 10.767 13.237 1.00 0.00 WAT +ATOM 36576 H1 TIP3 10089 38.829 10.106 13.396 1.00 0.00 WAT +ATOM 36577 H2 TIP3 10089 37.890 10.549 12.321 1.00 0.00 WAT +ATOM 36578 OH2 TIP3 10090 42.299 10.045 -5.466 1.00 0.00 WAT +ATOM 36579 H1 TIP3 10090 41.491 9.493 -5.448 1.00 0.00 WAT +ATOM 36580 H2 TIP3 10090 42.959 9.336 -5.575 1.00 0.00 WAT +ATOM 36581 OH2 TIP3 10091 33.354 5.349 12.552 1.00 0.00 WAT +ATOM 36582 H1 TIP3 10091 33.512 4.480 12.145 1.00 0.00 WAT +ATOM 36583 H2 TIP3 10091 32.626 5.678 11.989 1.00 0.00 WAT +ATOM 36584 OH2 TIP3 10092 37.480 5.646 -5.640 1.00 0.00 WAT +ATOM 36585 H1 TIP3 10092 37.646 5.175 -4.808 1.00 0.00 WAT +ATOM 36586 H2 TIP3 10092 38.391 5.723 -5.984 1.00 0.00 WAT +ATOM 36587 OH2 TIP3 10093 40.051 5.566 11.878 1.00 0.00 WAT +ATOM 36588 H1 TIP3 10093 39.799 5.893 10.997 1.00 0.00 WAT +ATOM 36589 H2 TIP3 10093 40.143 4.603 11.727 1.00 0.00 WAT +ATOM 36590 OH2 TIP3 10094 42.622 7.152 -5.806 1.00 0.00 WAT +ATOM 36591 H1 TIP3 10094 42.799 7.206 -4.844 1.00 0.00 WAT +ATOM 36592 H2 TIP3 10094 42.504 6.192 -5.899 1.00 0.00 WAT +ATOM 36593 OH2 TIP3 10095 34.527 2.681 11.574 1.00 0.00 WAT +ATOM 36594 H1 TIP3 10095 35.194 1.978 11.601 1.00 0.00 WAT +ATOM 36595 H2 TIP3 10095 34.305 2.772 12.508 1.00 0.00 WAT +ATOM 36596 OH2 TIP3 10096 38.547 3.876 -3.012 1.00 0.00 WAT +ATOM 36597 H1 TIP3 10096 37.978 3.277 -2.517 1.00 0.00 WAT +ATOM 36598 H2 TIP3 10096 38.919 3.272 -3.683 1.00 0.00 WAT +ATOM 36599 OH2 TIP3 10097 37.979 1.657 9.159 1.00 0.00 WAT +ATOM 36600 H1 TIP3 10097 37.406 2.435 9.294 1.00 0.00 WAT +ATOM 36601 H2 TIP3 10097 38.533 1.956 8.419 1.00 0.00 WAT +ATOM 36602 OH2 TIP3 10098 39.768 1.913 -4.765 1.00 0.00 WAT +ATOM 36603 H1 TIP3 10098 39.678 1.934 -5.735 1.00 0.00 WAT +ATOM 36604 H2 TIP3 10098 40.730 2.010 -4.665 1.00 0.00 WAT +ATOM 36605 OH2 TIP3 10099 42.854 4.122 12.889 1.00 0.00 WAT +ATOM 36606 H1 TIP3 10099 43.494 3.807 12.242 1.00 0.00 WAT +ATOM 36607 H2 TIP3 10099 42.666 3.293 13.360 1.00 0.00 WAT +ATOM 36608 OH2 TIP3 10100 38.552 -1.055 10.312 1.00 0.00 WAT +ATOM 36609 H1 TIP3 10100 38.624 -1.722 9.604 1.00 0.00 WAT +ATOM 36610 H2 TIP3 10100 38.405 -0.247 9.787 1.00 0.00 WAT +ATOM 36611 OH2 TIP3 10101 38.863 -2.619 7.741 1.00 0.00 WAT +ATOM 36612 H1 TIP3 10101 39.367 -2.049 7.122 1.00 0.00 WAT +ATOM 36613 H2 TIP3 10101 37.958 -2.589 7.363 1.00 0.00 WAT +ATOM 36614 OH2 TIP3 10102 40.670 2.777 8.059 1.00 0.00 WAT +ATOM 36615 H1 TIP3 10102 41.358 2.777 7.382 1.00 0.00 WAT +ATOM 36616 H2 TIP3 10102 40.288 3.662 7.923 1.00 0.00 WAT +ATOM 36617 OH2 TIP3 10103 36.807 0.732 12.122 1.00 0.00 WAT +ATOM 36618 H1 TIP3 10103 36.249 -0.063 12.075 1.00 0.00 WAT +ATOM 36619 H2 TIP3 10103 37.586 0.449 11.615 1.00 0.00 WAT +ATOM 36620 OH2 TIP3 10104 39.687 -5.248 8.110 1.00 0.00 WAT +ATOM 36621 H1 TIP3 10104 39.465 -4.311 7.917 1.00 0.00 WAT +ATOM 36622 H2 TIP3 10104 39.021 -5.709 7.563 1.00 0.00 WAT +ATOM 36623 OH2 TIP3 10105 41.023 -0.786 11.856 1.00 0.00 WAT +ATOM 36624 H1 TIP3 10105 40.615 -1.041 12.697 1.00 0.00 WAT +ATOM 36625 H2 TIP3 10105 40.302 -1.003 11.234 1.00 0.00 WAT +ATOM 36626 OH2 TIP3 10106 35.418 -1.799 11.908 1.00 0.00 WAT +ATOM 36627 H1 TIP3 10106 35.352 -2.532 11.272 1.00 0.00 WAT +ATOM 36628 H2 TIP3 10106 35.200 -2.260 12.738 1.00 0.00 WAT +ATOM 36629 OH2 TIP3 10107 39.446 -5.782 10.928 1.00 0.00 WAT +ATOM 36630 H1 TIP3 10107 40.066 -6.525 10.950 1.00 0.00 WAT +ATOM 36631 H2 TIP3 10107 39.397 -5.618 9.964 1.00 0.00 WAT +ATOM 36632 OH2 TIP3 10108 40.337 -3.987 12.885 1.00 0.00 WAT +ATOM 36633 H1 TIP3 10108 40.100 -4.530 12.106 1.00 0.00 WAT +ATOM 36634 H2 TIP3 10108 39.721 -3.242 12.809 1.00 0.00 WAT +ATOM 36635 OH2 TIP3 10109 39.543 13.125 -3.731 1.00 0.00 WAT +ATOM 36636 H1 TIP3 10109 40.505 13.138 -3.626 1.00 0.00 WAT +ATOM 36637 H2 TIP3 10109 39.455 13.583 -4.579 1.00 0.00 WAT +ATOM 36638 OH2 TIP3 10110 33.159 7.558 -4.996 1.00 0.00 WAT +ATOM 36639 H1 TIP3 10110 33.788 7.892 -4.332 1.00 0.00 WAT +ATOM 36640 H2 TIP3 10110 33.064 6.649 -4.715 1.00 0.00 WAT +ATOM 36641 OH2 TIP3 10111 32.287 12.785 0.504 1.00 0.00 WAT +ATOM 36642 H1 TIP3 10111 31.568 12.368 -0.013 1.00 0.00 WAT +ATOM 36643 H2 TIP3 10111 32.479 12.066 1.143 1.00 0.00 WAT +ATOM 36644 OH2 TIP3 10112 32.730 10.747 2.476 1.00 0.00 WAT +ATOM 36645 H1 TIP3 10112 32.475 9.838 2.700 1.00 0.00 WAT +ATOM 36646 H2 TIP3 10112 33.082 11.035 3.329 1.00 0.00 WAT +ATOM 36647 OH2 TIP3 10113 32.812 -0.542 11.382 1.00 0.00 WAT +ATOM 36648 H1 TIP3 10113 33.752 -0.805 11.352 1.00 0.00 WAT +ATOM 36649 H2 TIP3 10113 32.393 -1.380 11.124 1.00 0.00 WAT +ATOM 36650 OH2 TIP3 10114 34.557 8.732 12.083 1.00 0.00 WAT +ATOM 36651 H1 TIP3 10114 33.874 8.711 11.397 1.00 0.00 WAT +ATOM 36652 H2 TIP3 10114 34.039 8.756 12.895 1.00 0.00 WAT +ATOM 36653 OH2 TIP3 10115 37.400 9.756 7.741 1.00 0.00 WAT +ATOM 36654 H1 TIP3 10115 37.103 10.599 7.355 1.00 0.00 WAT +ATOM 36655 H2 TIP3 10115 38.358 9.824 7.552 1.00 0.00 WAT +ATOM 36656 OH2 TIP3 10116 42.184 11.383 10.617 1.00 0.00 WAT +ATOM 36657 H1 TIP3 10116 42.048 10.993 11.492 1.00 0.00 WAT +ATOM 36658 H2 TIP3 10116 43.139 11.577 10.661 1.00 0.00 WAT +ATOM 36659 OH2 TIP3 10117 34.779 12.698 8.058 1.00 0.00 WAT +ATOM 36660 H1 TIP3 10117 34.181 13.314 7.598 1.00 0.00 WAT +ATOM 36661 H2 TIP3 10117 34.407 12.719 8.947 1.00 0.00 WAT +ATOM 36662 OH2 TIP3 10118 37.291 12.474 6.640 1.00 0.00 WAT +ATOM 36663 H1 TIP3 10118 36.428 12.656 7.061 1.00 0.00 WAT +ATOM 36664 H2 TIP3 10118 37.323 13.146 5.937 1.00 0.00 WAT +ATOM 36665 OH2 TIP3 10119 41.948 12.243 6.192 1.00 0.00 WAT +ATOM 36666 H1 TIP3 10119 41.794 12.693 5.347 1.00 0.00 WAT +ATOM 36667 H2 TIP3 10119 42.581 12.823 6.626 1.00 0.00 WAT +ATOM 36668 OH2 TIP3 10120 34.360 11.491 5.006 1.00 0.00 WAT +ATOM 36669 H1 TIP3 10120 34.339 10.984 5.846 1.00 0.00 WAT +ATOM 36670 H2 TIP3 10120 35.099 11.040 4.545 1.00 0.00 WAT +ATOM 36671 OH2 TIP3 10121 36.346 10.235 3.483 1.00 0.00 WAT +ATOM 36672 H1 TIP3 10121 36.222 9.283 3.673 1.00 0.00 WAT +ATOM 36673 H2 TIP3 10121 37.277 10.371 3.746 1.00 0.00 WAT +ATOM 36674 OH2 TIP3 10122 39.114 10.728 4.320 1.00 0.00 WAT +ATOM 36675 H1 TIP3 10122 39.358 9.823 4.061 1.00 0.00 WAT +ATOM 36676 H2 TIP3 10122 39.207 10.673 5.283 1.00 0.00 WAT +ATOM 36677 OH2 TIP3 10123 42.643 -3.792 3.727 1.00 0.00 WAT +ATOM 36678 H1 TIP3 10123 41.778 -4.235 3.757 1.00 0.00 WAT +ATOM 36679 H2 TIP3 10123 42.979 -4.069 2.869 1.00 0.00 WAT +ATOM 36680 OH2 TIP3 10124 34.788 -5.148 0.929 1.00 0.00 WAT +ATOM 36681 H1 TIP3 10124 33.873 -5.311 0.667 1.00 0.00 WAT +ATOM 36682 H2 TIP3 10124 35.036 -5.981 1.342 1.00 0.00 WAT +ATOM 36683 OH2 TIP3 10125 33.668 -5.169 -2.809 1.00 0.00 WAT +ATOM 36684 H1 TIP3 10125 34.082 -4.533 -3.426 1.00 0.00 WAT +ATOM 36685 H2 TIP3 10125 32.938 -4.652 -2.456 1.00 0.00 WAT +ATOM 36686 OH2 TIP3 10126 39.315 -4.945 1.081 1.00 0.00 WAT +ATOM 36687 H1 TIP3 10126 40.222 -4.605 0.968 1.00 0.00 WAT +ATOM 36688 H2 TIP3 10126 39.267 -4.982 2.044 1.00 0.00 WAT +ATOM 36689 OH2 TIP3 10127 33.757 10.766 -1.878 1.00 0.00 WAT +ATOM 36690 H1 TIP3 10127 33.047 10.577 -2.512 1.00 0.00 WAT +ATOM 36691 H2 TIP3 10127 33.688 11.729 -1.810 1.00 0.00 WAT +ATOM 36692 OH2 TIP3 10128 35.255 -3.446 -4.397 1.00 0.00 WAT +ATOM 36693 H1 TIP3 10128 35.848 -3.832 -5.062 1.00 0.00 WAT +ATOM 36694 H2 TIP3 10128 35.898 -3.082 -3.762 1.00 0.00 WAT +ATOM 36695 OH2 TIP3 10129 40.624 -3.232 -1.962 1.00 0.00 WAT +ATOM 36696 H1 TIP3 10129 40.652 -3.848 -1.215 1.00 0.00 WAT +ATOM 36697 H2 TIP3 10129 40.631 -2.374 -1.491 1.00 0.00 WAT +ATOM 36698 OH2 TIP3 10130 42.627 12.401 -3.697 1.00 0.00 WAT +ATOM 36699 H1 TIP3 10130 43.516 12.763 -3.863 1.00 0.00 WAT +ATOM 36700 H2 TIP3 10130 42.500 11.797 -4.449 1.00 0.00 WAT +ATOM 36701 OH2 TIP3 10131 34.597 -4.401 10.770 1.00 0.00 WAT +ATOM 36702 H1 TIP3 10131 34.177 -5.247 11.020 1.00 0.00 WAT +ATOM 36703 H2 TIP3 10131 35.530 -4.618 10.914 1.00 0.00 WAT +ATOM 36704 OH2 TIP3 10132 37.023 -5.063 12.489 1.00 0.00 WAT +ATOM 36705 H1 TIP3 10132 37.837 -5.401 12.063 1.00 0.00 WAT +ATOM 36706 H2 TIP3 10132 36.634 -5.886 12.818 1.00 0.00 WAT +ATOM 36707 OH2 TIP3 10133 35.271 11.749 -4.990 1.00 0.00 WAT +ATOM 36708 H1 TIP3 10133 34.957 11.890 -4.082 1.00 0.00 WAT +ATOM 36709 H2 TIP3 10133 36.010 11.133 -4.840 1.00 0.00 WAT +ATOM 36710 OH2 TIP3 10134 -31.643 22.841 1.397 1.00 0.00 WAT +ATOM 36711 H1 TIP3 10134 -31.592 23.789 1.606 1.00 0.00 WAT +ATOM 36712 H2 TIP3 10134 -32.388 22.837 0.777 1.00 0.00 WAT +ATOM 36713 OH2 TIP3 10135 -32.731 22.331 4.502 1.00 0.00 WAT +ATOM 36714 H1 TIP3 10135 -32.748 21.805 5.319 1.00 0.00 WAT +ATOM 36715 H2 TIP3 10135 -33.051 21.689 3.852 1.00 0.00 WAT +ATOM 36716 OH2 TIP3 10136 -40.266 21.928 6.145 1.00 0.00 WAT +ATOM 36717 H1 TIP3 10136 -40.327 21.192 6.783 1.00 0.00 WAT +ATOM 36718 H2 TIP3 10136 -39.601 22.488 6.569 1.00 0.00 WAT +ATOM 36719 OH2 TIP3 10137 -29.088 25.072 2.835 1.00 0.00 WAT +ATOM 36720 H1 TIP3 10137 -29.436 24.372 3.402 1.00 0.00 WAT +ATOM 36721 H2 TIP3 10137 -28.780 25.707 3.497 1.00 0.00 WAT +ATOM 36722 OH2 TIP3 10138 -39.593 26.551 4.672 1.00 0.00 WAT +ATOM 36723 H1 TIP3 10138 -39.882 25.658 4.402 1.00 0.00 WAT +ATOM 36724 H2 TIP3 10138 -38.654 26.393 4.852 1.00 0.00 WAT +ATOM 36725 OH2 TIP3 10139 -42.138 20.247 -1.112 1.00 0.00 WAT +ATOM 36726 H1 TIP3 10139 -42.521 21.069 -0.772 1.00 0.00 WAT +ATOM 36727 H2 TIP3 10139 -42.915 19.675 -1.139 1.00 0.00 WAT +ATOM 36728 OH2 TIP3 10140 -42.065 22.296 1.717 1.00 0.00 WAT +ATOM 36729 H1 TIP3 10140 -41.861 21.683 2.439 1.00 0.00 WAT +ATOM 36730 H2 TIP3 10140 -41.217 22.723 1.553 1.00 0.00 WAT +ATOM 36731 OH2 TIP3 10141 -32.005 30.441 3.391 1.00 0.00 WAT +ATOM 36732 H1 TIP3 10141 -31.418 29.728 3.076 1.00 0.00 WAT +ATOM 36733 H2 TIP3 10141 -32.287 30.104 4.250 1.00 0.00 WAT +ATOM 36734 OH2 TIP3 10142 -34.256 24.847 5.074 1.00 0.00 WAT +ATOM 36735 H1 TIP3 10142 -33.924 24.133 4.504 1.00 0.00 WAT +ATOM 36736 H2 TIP3 10142 -33.446 25.010 5.597 1.00 0.00 WAT +ATOM 36737 OH2 TIP3 10143 -25.510 16.392 5.644 1.00 0.00 WAT +ATOM 36738 H1 TIP3 10143 -25.291 16.950 6.410 1.00 0.00 WAT +ATOM 36739 H2 TIP3 10143 -24.869 16.724 4.989 1.00 0.00 WAT +ATOM 36740 OH2 TIP3 10144 -30.963 19.191 5.564 1.00 0.00 WAT +ATOM 36741 H1 TIP3 10144 -30.812 18.235 5.654 1.00 0.00 WAT +ATOM 36742 H2 TIP3 10144 -31.061 19.279 4.604 1.00 0.00 WAT +ATOM 36743 OH2 TIP3 10145 -37.974 17.198 2.661 1.00 0.00 WAT +ATOM 36744 H1 TIP3 10145 -37.862 18.053 2.201 1.00 0.00 WAT +ATOM 36745 H2 TIP3 10145 -38.336 16.655 1.932 1.00 0.00 WAT +ATOM 36746 OH2 TIP3 10146 -30.323 17.300 0.627 1.00 0.00 WAT +ATOM 36747 H1 TIP3 10146 -29.925 16.762 1.344 1.00 0.00 WAT +ATOM 36748 H2 TIP3 10146 -29.513 17.763 0.325 1.00 0.00 WAT +ATOM 36749 OH2 TIP3 10147 -41.376 19.939 3.192 1.00 0.00 WAT +ATOM 36750 H1 TIP3 10147 -40.799 19.517 3.851 1.00 0.00 WAT +ATOM 36751 H2 TIP3 10147 -41.196 19.387 2.412 1.00 0.00 WAT +ATOM 36752 OH2 TIP3 10148 -35.896 21.303 2.607 1.00 0.00 WAT +ATOM 36753 H1 TIP3 10148 -35.220 20.742 3.034 1.00 0.00 WAT +ATOM 36754 H2 TIP3 10148 -36.444 20.637 2.153 1.00 0.00 WAT +ATOM 36755 OH2 TIP3 10149 -24.873 17.696 8.145 1.00 0.00 WAT +ATOM 36756 H1 TIP3 10149 -25.448 18.446 7.913 1.00 0.00 WAT +ATOM 36757 H2 TIP3 10149 -24.927 17.717 9.110 1.00 0.00 WAT +ATOM 36758 OH2 TIP3 10150 -39.172 16.027 6.832 1.00 0.00 WAT +ATOM 36759 H1 TIP3 10150 -39.643 16.442 6.096 1.00 0.00 WAT +ATOM 36760 H2 TIP3 10150 -39.808 16.173 7.560 1.00 0.00 WAT +ATOM 36761 OH2 TIP3 10151 -31.707 25.743 0.224 1.00 0.00 WAT +ATOM 36762 H1 TIP3 10151 -32.011 25.541 -0.665 1.00 0.00 WAT +ATOM 36763 H2 TIP3 10151 -32.148 26.592 0.409 1.00 0.00 WAT +ATOM 36764 OH2 TIP3 10152 -36.257 23.867 6.944 1.00 0.00 WAT +ATOM 36765 H1 TIP3 10152 -36.987 24.465 7.213 1.00 0.00 WAT +ATOM 36766 H2 TIP3 10152 -35.637 24.480 6.509 1.00 0.00 WAT +ATOM 36767 OH2 TIP3 10153 -28.444 16.689 2.946 1.00 0.00 WAT +ATOM 36768 H1 TIP3 10153 -28.722 16.006 3.569 1.00 0.00 WAT +ATOM 36769 H2 TIP3 10153 -27.834 17.209 3.497 1.00 0.00 WAT +ATOM 36770 OH2 TIP3 10154 -39.576 18.073 4.733 1.00 0.00 WAT +ATOM 36771 H1 TIP3 10154 -38.929 18.633 5.210 1.00 0.00 WAT +ATOM 36772 H2 TIP3 10154 -38.995 17.682 4.045 1.00 0.00 WAT +ATOM 36773 OH2 TIP3 10155 -38.271 25.733 7.686 1.00 0.00 WAT +ATOM 36774 H1 TIP3 10155 -38.301 26.649 7.354 1.00 0.00 WAT +ATOM 36775 H2 TIP3 10155 -39.158 25.673 8.087 1.00 0.00 WAT +ATOM 36776 OH2 TIP3 10156 -41.822 25.373 -1.419 1.00 0.00 WAT +ATOM 36777 H1 TIP3 10156 -42.637 25.548 -1.931 1.00 0.00 WAT +ATOM 36778 H2 TIP3 10156 -41.911 25.988 -0.672 1.00 0.00 WAT +ATOM 36779 OH2 TIP3 10157 -28.508 26.888 5.323 1.00 0.00 WAT +ATOM 36780 H1 TIP3 10157 -29.476 27.015 5.344 1.00 0.00 WAT +ATOM 36781 H2 TIP3 10157 -28.223 27.745 4.960 1.00 0.00 WAT +ATOM 36782 OH2 TIP3 10158 -28.145 15.791 6.834 1.00 0.00 WAT +ATOM 36783 H1 TIP3 10158 -28.924 16.172 6.389 1.00 0.00 WAT +ATOM 36784 H2 TIP3 10158 -27.436 15.955 6.185 1.00 0.00 WAT +ATOM 36785 OH2 TIP3 10159 -35.039 13.473 3.923 1.00 0.00 WAT +ATOM 36786 H1 TIP3 10159 -35.278 12.527 3.865 1.00 0.00 WAT +ATOM 36787 H2 TIP3 10159 -35.866 13.858 4.282 1.00 0.00 WAT +ATOM 36788 OH2 TIP3 10160 -30.193 28.824 1.906 1.00 0.00 WAT +ATOM 36789 H1 TIP3 10160 -29.707 28.040 1.583 1.00 0.00 WAT +ATOM 36790 H2 TIP3 10160 -29.527 29.526 1.783 1.00 0.00 WAT +ATOM 36791 OH2 TIP3 10161 -28.746 26.689 0.509 1.00 0.00 WAT +ATOM 36792 H1 TIP3 10161 -29.265 26.235 -0.170 1.00 0.00 WAT +ATOM 36793 H2 TIP3 10161 -28.809 26.057 1.250 1.00 0.00 WAT +ATOM 36794 OH2 TIP3 10162 -27.238 25.527 9.004 1.00 0.00 WAT +ATOM 36795 H1 TIP3 10162 -27.312 24.870 8.287 1.00 0.00 WAT +ATOM 36796 H2 TIP3 10162 -27.073 26.350 8.507 1.00 0.00 WAT +ATOM 36797 OH2 TIP3 10163 -32.834 22.406 -1.344 1.00 0.00 WAT +ATOM 36798 H1 TIP3 10163 -33.526 23.030 -1.644 1.00 0.00 WAT +ATOM 36799 H2 TIP3 10163 -32.189 22.481 -2.062 1.00 0.00 WAT +ATOM 36800 OH2 TIP3 10164 -32.642 20.627 -4.189 1.00 0.00 WAT +ATOM 36801 H1 TIP3 10164 -31.882 20.861 -3.625 1.00 0.00 WAT +ATOM 36802 H2 TIP3 10164 -32.216 20.046 -4.835 1.00 0.00 WAT +ATOM 36803 OH2 TIP3 10165 -25.466 21.675 6.943 1.00 0.00 WAT +ATOM 36804 H1 TIP3 10165 -26.162 22.354 7.028 1.00 0.00 WAT +ATOM 36805 H2 TIP3 10165 -24.953 22.022 6.189 1.00 0.00 WAT +ATOM 36806 OH2 TIP3 10166 -29.438 22.383 -0.218 1.00 0.00 WAT +ATOM 36807 H1 TIP3 10166 -30.097 22.653 0.461 1.00 0.00 WAT +ATOM 36808 H2 TIP3 10166 -28.815 21.854 0.315 1.00 0.00 WAT +ATOM 36809 OH2 TIP3 10167 -29.607 20.959 8.617 1.00 0.00 WAT +ATOM 36810 H1 TIP3 10167 -29.536 21.779 9.133 1.00 0.00 WAT +ATOM 36811 H2 TIP3 10167 -30.252 21.255 7.951 1.00 0.00 WAT +ATOM 36812 OH2 TIP3 10168 -37.815 23.207 1.543 1.00 0.00 WAT +ATOM 36813 H1 TIP3 10168 -38.160 22.779 0.736 1.00 0.00 WAT +ATOM 36814 H2 TIP3 10168 -37.182 22.545 1.870 1.00 0.00 WAT +ATOM 36815 OH2 TIP3 10169 -36.483 26.587 4.303 1.00 0.00 WAT +ATOM 36816 H1 TIP3 10169 -36.588 26.226 3.412 1.00 0.00 WAT +ATOM 36817 H2 TIP3 10169 -35.677 26.128 4.611 1.00 0.00 WAT +ATOM 36818 OH2 TIP3 10170 -37.262 22.025 5.017 1.00 0.00 WAT +ATOM 36819 H1 TIP3 10170 -36.667 22.073 4.246 1.00 0.00 WAT +ATOM 36820 H2 TIP3 10170 -36.876 22.678 5.629 1.00 0.00 WAT +ATOM 36821 OH2 TIP3 10171 -31.313 27.521 5.623 1.00 0.00 WAT +ATOM 36822 H1 TIP3 10171 -31.290 28.189 6.329 1.00 0.00 WAT +ATOM 36823 H2 TIP3 10171 -31.533 26.699 6.096 1.00 0.00 WAT +ATOM 36824 OH2 TIP3 10172 -36.424 26.326 9.878 1.00 0.00 WAT +ATOM 36825 H1 TIP3 10172 -36.952 26.991 10.355 1.00 0.00 WAT +ATOM 36826 H2 TIP3 10172 -37.057 26.051 9.186 1.00 0.00 WAT +ATOM 36827 OH2 TIP3 10173 -30.357 21.373 -2.614 1.00 0.00 WAT +ATOM 36828 H1 TIP3 10173 -29.880 21.782 -1.857 1.00 0.00 WAT +ATOM 36829 H2 TIP3 10173 -29.909 21.843 -3.357 1.00 0.00 WAT +ATOM 36830 OH2 TIP3 10174 -39.559 22.674 9.026 1.00 0.00 WAT +ATOM 36831 H1 TIP3 10174 -39.478 23.268 9.793 1.00 0.00 WAT +ATOM 36832 H2 TIP3 10174 -40.529 22.627 8.930 1.00 0.00 WAT +ATOM 36833 OH2 TIP3 10175 -33.026 28.462 0.801 1.00 0.00 WAT +ATOM 36834 H1 TIP3 10175 -32.566 28.770 1.591 1.00 0.00 WAT +ATOM 36835 H2 TIP3 10175 -33.523 29.246 0.520 1.00 0.00 WAT +ATOM 36836 OH2 TIP3 10176 -38.351 28.480 10.722 1.00 0.00 WAT +ATOM 36837 H1 TIP3 10176 -38.424 28.535 9.752 1.00 0.00 WAT +ATOM 36838 H2 TIP3 10176 -39.269 28.298 10.995 1.00 0.00 WAT +ATOM 36839 OH2 TIP3 10177 -26.887 13.444 -3.439 1.00 0.00 WAT +ATOM 36840 H1 TIP3 10177 -27.722 13.484 -2.955 1.00 0.00 WAT +ATOM 36841 H2 TIP3 10177 -26.511 14.325 -3.312 1.00 0.00 WAT +ATOM 36842 OH2 TIP3 10178 -38.917 21.926 -0.928 1.00 0.00 WAT +ATOM 36843 H1 TIP3 10178 -39.167 22.699 -1.463 1.00 0.00 WAT +ATOM 36844 H2 TIP3 10178 -39.609 21.290 -1.166 1.00 0.00 WAT +ATOM 36845 OH2 TIP3 10179 -25.642 27.732 -4.743 1.00 0.00 WAT +ATOM 36846 H1 TIP3 10179 -25.507 28.669 -4.498 1.00 0.00 WAT +ATOM 36847 H2 TIP3 10179 -24.769 27.349 -4.533 1.00 0.00 WAT +ATOM 36848 OH2 TIP3 10180 -42.660 24.759 7.614 1.00 0.00 WAT +ATOM 36849 H1 TIP3 10180 -42.876 24.426 6.727 1.00 0.00 WAT +ATOM 36850 H2 TIP3 10180 -43.066 24.074 8.175 1.00 0.00 WAT +ATOM 36851 OH2 TIP3 10181 -42.820 27.541 4.589 1.00 0.00 WAT +ATOM 36852 H1 TIP3 10181 -41.962 27.140 4.778 1.00 0.00 WAT +ATOM 36853 H2 TIP3 10181 -42.996 28.047 5.390 1.00 0.00 WAT +ATOM 36854 OH2 TIP3 10182 -24.415 28.128 10.526 1.00 0.00 WAT +ATOM 36855 H1 TIP3 10182 -24.514 27.173 10.349 1.00 0.00 WAT +ATOM 36856 H2 TIP3 10182 -25.330 28.362 10.787 1.00 0.00 WAT +ATOM 36857 OH2 TIP3 10183 -33.778 27.366 9.323 1.00 0.00 WAT +ATOM 36858 H1 TIP3 10183 -33.714 28.198 9.832 1.00 0.00 WAT +ATOM 36859 H2 TIP3 10183 -34.686 27.072 9.536 1.00 0.00 WAT +ATOM 36860 OH2 TIP3 10184 -33.472 31.187 -0.712 1.00 0.00 WAT +ATOM 36861 H1 TIP3 10184 -33.490 31.286 -1.680 1.00 0.00 WAT +ATOM 36862 H2 TIP3 10184 -33.438 32.105 -0.401 1.00 0.00 WAT +ATOM 36863 OH2 TIP3 10185 -39.758 30.313 0.918 1.00 0.00 WAT +ATOM 36864 H1 TIP3 10185 -39.538 29.900 1.777 1.00 0.00 WAT +ATOM 36865 H2 TIP3 10185 -40.554 29.804 0.692 1.00 0.00 WAT +ATOM 36866 OH2 TIP3 10186 -30.189 30.608 -3.534 1.00 0.00 WAT +ATOM 36867 H1 TIP3 10186 -29.613 29.953 -3.974 1.00 0.00 WAT +ATOM 36868 H2 TIP3 10186 -30.247 30.237 -2.630 1.00 0.00 WAT +ATOM 36869 OH2 TIP3 10187 -30.797 30.032 -0.733 1.00 0.00 WAT +ATOM 36870 H1 TIP3 10187 -31.749 30.180 -0.591 1.00 0.00 WAT +ATOM 36871 H2 TIP3 10187 -30.638 29.326 -0.083 1.00 0.00 WAT +ATOM 36872 OH2 TIP3 10188 -27.648 19.507 10.927 1.00 0.00 WAT +ATOM 36873 H1 TIP3 10188 -28.138 19.899 10.192 1.00 0.00 WAT +ATOM 36874 H2 TIP3 10188 -27.587 18.573 10.646 1.00 0.00 WAT +ATOM 36875 OH2 TIP3 10189 -40.711 26.160 9.087 1.00 0.00 WAT +ATOM 36876 H1 TIP3 10189 -40.423 25.586 9.820 1.00 0.00 WAT +ATOM 36877 H2 TIP3 10189 -41.467 25.668 8.697 1.00 0.00 WAT +ATOM 36878 OH2 TIP3 10190 -37.477 14.646 4.815 1.00 0.00 WAT +ATOM 36879 H1 TIP3 10190 -38.301 14.539 4.305 1.00 0.00 WAT +ATOM 36880 H2 TIP3 10190 -37.745 15.348 5.428 1.00 0.00 WAT +ATOM 36881 OH2 TIP3 10191 -33.109 14.211 8.473 1.00 0.00 WAT +ATOM 36882 H1 TIP3 10191 -32.583 13.678 9.101 1.00 0.00 WAT +ATOM 36883 H2 TIP3 10191 -34.014 13.867 8.596 1.00 0.00 WAT +ATOM 36884 OH2 TIP3 10192 -29.962 18.001 8.965 1.00 0.00 WAT +ATOM 36885 H1 TIP3 10192 -30.544 17.842 9.731 1.00 0.00 WAT +ATOM 36886 H2 TIP3 10192 -30.008 18.965 8.845 1.00 0.00 WAT +ATOM 36887 OH2 TIP3 10193 -29.051 22.782 -4.660 1.00 0.00 WAT +ATOM 36888 H1 TIP3 10193 -29.215 22.703 -5.619 1.00 0.00 WAT +ATOM 36889 H2 TIP3 10193 -28.162 23.170 -4.659 1.00 0.00 WAT +ATOM 36890 OH2 TIP3 10194 -32.891 16.622 -4.031 1.00 0.00 WAT +ATOM 36891 H1 TIP3 10194 -33.659 16.556 -3.435 1.00 0.00 WAT +ATOM 36892 H2 TIP3 10194 -33.267 16.141 -4.789 1.00 0.00 WAT +ATOM 36893 OH2 TIP3 10195 -37.602 19.424 6.228 1.00 0.00 WAT +ATOM 36894 H1 TIP3 10195 -38.202 19.519 6.986 1.00 0.00 WAT +ATOM 36895 H2 TIP3 10195 -37.561 20.337 5.874 1.00 0.00 WAT +ATOM 36896 OH2 TIP3 10196 -37.699 19.486 1.103 1.00 0.00 WAT +ATOM 36897 H1 TIP3 10196 -38.662 19.429 0.950 1.00 0.00 WAT +ATOM 36898 H2 TIP3 10196 -37.369 19.304 0.204 1.00 0.00 WAT +ATOM 36899 OH2 TIP3 10197 -31.723 19.924 -0.629 1.00 0.00 WAT +ATOM 36900 H1 TIP3 10197 -32.300 20.707 -0.500 1.00 0.00 WAT +ATOM 36901 H2 TIP3 10197 -31.045 20.383 -1.163 1.00 0.00 WAT +ATOM 36902 OH2 TIP3 10198 -32.876 20.272 11.261 1.00 0.00 WAT +ATOM 36903 H1 TIP3 10198 -33.378 19.503 11.599 1.00 0.00 WAT +ATOM 36904 H2 TIP3 10198 -31.996 20.121 11.654 1.00 0.00 WAT +ATOM 36905 OH2 TIP3 10199 -31.204 19.361 2.610 1.00 0.00 WAT +ATOM 36906 H1 TIP3 10199 -31.399 20.015 1.920 1.00 0.00 WAT +ATOM 36907 H2 TIP3 10199 -31.008 18.570 2.078 1.00 0.00 WAT +ATOM 36908 OH2 TIP3 10200 -40.236 19.584 8.062 1.00 0.00 WAT +ATOM 36909 H1 TIP3 10200 -39.978 19.945 8.918 1.00 0.00 WAT +ATOM 36910 H2 TIP3 10200 -40.520 18.686 8.304 1.00 0.00 WAT +ATOM 36911 OH2 TIP3 10201 -36.836 17.198 -5.303 1.00 0.00 WAT +ATOM 36912 H1 TIP3 10201 -37.256 16.779 -4.527 1.00 0.00 WAT +ATOM 36913 H2 TIP3 10201 -37.592 17.345 -5.885 1.00 0.00 WAT +ATOM 36914 OH2 TIP3 10202 -43.168 17.217 1.736 1.00 0.00 WAT +ATOM 36915 H1 TIP3 10202 -43.075 16.903 2.653 1.00 0.00 WAT +ATOM 36916 H2 TIP3 10202 -42.837 16.470 1.230 1.00 0.00 WAT +ATOM 36917 OH2 TIP3 10203 -42.081 17.579 -2.469 1.00 0.00 WAT +ATOM 36918 H1 TIP3 10203 -41.484 17.867 -3.186 1.00 0.00 WAT +ATOM 36919 H2 TIP3 10203 -42.914 17.962 -2.762 1.00 0.00 WAT +ATOM 36920 OH2 TIP3 10204 -32.118 21.130 7.113 1.00 0.00 WAT +ATOM 36921 H1 TIP3 10204 -31.670 20.406 6.618 1.00 0.00 WAT +ATOM 36922 H2 TIP3 10204 -32.441 20.655 7.892 1.00 0.00 WAT +ATOM 36923 OH2 TIP3 10205 -34.901 17.115 2.087 1.00 0.00 WAT +ATOM 36924 H1 TIP3 10205 -35.842 17.027 2.322 1.00 0.00 WAT +ATOM 36925 H2 TIP3 10205 -34.477 16.870 2.929 1.00 0.00 WAT +ATOM 36926 OH2 TIP3 10206 -40.381 18.359 0.760 1.00 0.00 WAT +ATOM 36927 H1 TIP3 10206 -41.154 18.493 0.192 1.00 0.00 WAT +ATOM 36928 H2 TIP3 10206 -40.038 17.509 0.425 1.00 0.00 WAT +ATOM 36929 OH2 TIP3 10207 -36.655 18.613 -1.527 1.00 0.00 WAT +ATOM 36930 H1 TIP3 10207 -35.721 18.857 -1.512 1.00 0.00 WAT +ATOM 36931 H2 TIP3 10207 -37.028 19.198 -2.217 1.00 0.00 WAT +ATOM 36932 OH2 TIP3 10208 -30.538 16.215 5.164 1.00 0.00 WAT +ATOM 36933 H1 TIP3 10208 -31.168 16.223 5.918 1.00 0.00 WAT +ATOM 36934 H2 TIP3 10208 -31.117 15.876 4.461 1.00 0.00 WAT +ATOM 36935 OH2 TIP3 10209 -38.213 19.885 -3.700 1.00 0.00 WAT +ATOM 36936 H1 TIP3 10209 -38.854 19.597 -4.371 1.00 0.00 WAT +ATOM 36937 H2 TIP3 10209 -37.434 20.074 -4.252 1.00 0.00 WAT +ATOM 36938 OH2 TIP3 10210 -27.533 32.028 11.816 1.00 0.00 WAT +ATOM 36939 H1 TIP3 10210 -27.290 32.451 10.974 1.00 0.00 WAT +ATOM 36940 H2 TIP3 10210 -26.807 32.319 12.395 1.00 0.00 WAT +ATOM 36941 OH2 TIP3 10211 -39.514 24.618 11.246 1.00 0.00 WAT +ATOM 36942 H1 TIP3 10211 -38.903 24.662 12.011 1.00 0.00 WAT +ATOM 36943 H2 TIP3 10211 -40.371 24.708 11.718 1.00 0.00 WAT +ATOM 36944 OH2 TIP3 10212 -33.857 19.617 3.944 1.00 0.00 WAT +ATOM 36945 H1 TIP3 10212 -33.127 19.139 3.526 1.00 0.00 WAT +ATOM 36946 H2 TIP3 10212 -34.059 19.038 4.709 1.00 0.00 WAT +ATOM 36947 OH2 TIP3 10213 -38.729 15.985 0.234 1.00 0.00 WAT +ATOM 36948 H1 TIP3 10213 -39.234 15.157 0.270 1.00 0.00 WAT +ATOM 36949 H2 TIP3 10213 -37.948 15.713 -0.266 1.00 0.00 WAT +ATOM 36950 OH2 TIP3 10214 -34.890 18.122 6.172 1.00 0.00 WAT +ATOM 36951 H1 TIP3 10214 -35.695 18.663 6.228 1.00 0.00 WAT +ATOM 36952 H2 TIP3 10214 -34.423 18.335 7.006 1.00 0.00 WAT +ATOM 36953 OH2 TIP3 10215 -34.714 24.396 -1.871 1.00 0.00 WAT +ATOM 36954 H1 TIP3 10215 -35.498 23.938 -2.243 1.00 0.00 WAT +ATOM 36955 H2 TIP3 10215 -34.959 24.494 -0.922 1.00 0.00 WAT +ATOM 36956 OH2 TIP3 10216 -27.555 23.642 6.850 1.00 0.00 WAT +ATOM 36957 H1 TIP3 10216 -27.041 24.174 6.204 1.00 0.00 WAT +ATOM 36958 H2 TIP3 10216 -28.403 23.534 6.377 1.00 0.00 WAT +ATOM 36959 OH2 TIP3 10217 -33.126 24.491 9.429 1.00 0.00 WAT +ATOM 36960 H1 TIP3 10217 -33.436 24.158 10.282 1.00 0.00 WAT +ATOM 36961 H2 TIP3 10217 -33.441 25.408 9.432 1.00 0.00 WAT +ATOM 36962 OH2 TIP3 10218 -39.769 23.779 3.812 1.00 0.00 WAT +ATOM 36963 H1 TIP3 10218 -39.090 23.708 3.118 1.00 0.00 WAT +ATOM 36964 H2 TIP3 10218 -39.619 22.969 4.327 1.00 0.00 WAT +ATOM 36965 OH2 TIP3 10219 -32.384 25.832 -2.965 1.00 0.00 WAT +ATOM 36966 H1 TIP3 10219 -32.636 26.700 -2.587 1.00 0.00 WAT +ATOM 36967 H2 TIP3 10219 -33.137 25.283 -2.681 1.00 0.00 WAT +ATOM 36968 OH2 TIP3 10220 -42.381 22.315 9.469 1.00 0.00 WAT +ATOM 36969 H1 TIP3 10220 -42.306 21.665 10.188 1.00 0.00 WAT +ATOM 36970 H2 TIP3 10220 -42.874 21.805 8.784 1.00 0.00 WAT +ATOM 36971 OH2 TIP3 10221 -35.399 21.657 11.179 1.00 0.00 WAT +ATOM 36972 H1 TIP3 10221 -35.766 21.385 10.320 1.00 0.00 WAT +ATOM 36973 H2 TIP3 10221 -34.475 21.359 11.084 1.00 0.00 WAT +ATOM 36974 OH2 TIP3 10222 -30.876 27.075 8.888 1.00 0.00 WAT +ATOM 36975 H1 TIP3 10222 -31.844 27.152 8.836 1.00 0.00 WAT +ATOM 36976 H2 TIP3 10222 -30.705 27.322 9.809 1.00 0.00 WAT +ATOM 36977 OH2 TIP3 10223 -25.317 19.142 -2.305 1.00 0.00 WAT +ATOM 36978 H1 TIP3 10223 -25.885 18.917 -3.064 1.00 0.00 WAT +ATOM 36979 H2 TIP3 10223 -25.220 20.102 -2.455 1.00 0.00 WAT +ATOM 36980 OH2 TIP3 10224 -24.891 25.178 10.483 1.00 0.00 WAT +ATOM 36981 H1 TIP3 10224 -25.823 25.382 10.266 1.00 0.00 WAT +ATOM 36982 H2 TIP3 10224 -24.527 24.994 9.591 1.00 0.00 WAT +ATOM 36983 OH2 TIP3 10225 -27.189 27.713 -2.271 1.00 0.00 WAT +ATOM 36984 H1 TIP3 10225 -27.358 26.962 -1.682 1.00 0.00 WAT +ATOM 36985 H2 TIP3 10225 -26.573 27.349 -2.921 1.00 0.00 WAT +ATOM 36986 OH2 TIP3 10226 -29.884 23.065 5.131 1.00 0.00 WAT +ATOM 36987 H1 TIP3 10226 -30.819 22.895 4.910 1.00 0.00 WAT +ATOM 36988 H2 TIP3 10226 -29.443 22.338 4.650 1.00 0.00 WAT +ATOM 36989 OH2 TIP3 10227 -37.265 27.151 1.197 1.00 0.00 WAT +ATOM 36990 H1 TIP3 10227 -36.861 28.025 1.068 1.00 0.00 WAT +ATOM 36991 H2 TIP3 10227 -38.188 27.328 0.967 1.00 0.00 WAT +ATOM 36992 OH2 TIP3 10228 -41.527 22.111 -4.100 1.00 0.00 WAT +ATOM 36993 H1 TIP3 10228 -40.817 22.668 -3.725 1.00 0.00 WAT +ATOM 36994 H2 TIP3 10228 -42.293 22.684 -3.963 1.00 0.00 WAT +ATOM 36995 OH2 TIP3 10229 -35.437 24.834 0.788 1.00 0.00 WAT +ATOM 36996 H1 TIP3 10229 -35.721 25.748 0.952 1.00 0.00 WAT +ATOM 36997 H2 TIP3 10229 -36.155 24.338 1.213 1.00 0.00 WAT +ATOM 36998 OH2 TIP3 10230 -35.264 29.103 7.167 1.00 0.00 WAT +ATOM 36999 H1 TIP3 10230 -34.710 29.845 6.867 1.00 0.00 WAT +ATOM 37000 H2 TIP3 10230 -34.637 28.610 7.719 1.00 0.00 WAT +ATOM 37001 OH2 TIP3 10231 -36.814 30.045 0.411 1.00 0.00 WAT +ATOM 37002 H1 TIP3 10231 -37.772 30.186 0.481 1.00 0.00 WAT +ATOM 37003 H2 TIP3 10231 -36.470 30.930 0.640 1.00 0.00 WAT +ATOM 37004 OH2 TIP3 10232 -31.856 24.840 6.727 1.00 0.00 WAT +ATOM 37005 H1 TIP3 10232 -32.137 24.570 7.620 1.00 0.00 WAT +ATOM 37006 H2 TIP3 10232 -31.110 24.242 6.563 1.00 0.00 WAT +ATOM 37007 OH2 TIP3 10233 -29.676 26.131 -4.360 1.00 0.00 WAT +ATOM 37008 H1 TIP3 10233 -29.266 25.717 -3.578 1.00 0.00 WAT +ATOM 37009 H2 TIP3 10233 -30.610 26.012 -4.118 1.00 0.00 WAT +ATOM 37010 OH2 TIP3 10234 -28.930 29.434 9.142 1.00 0.00 WAT +ATOM 37011 H1 TIP3 10234 -29.672 28.972 8.705 1.00 0.00 WAT +ATOM 37012 H2 TIP3 10234 -28.805 30.211 8.566 1.00 0.00 WAT +ATOM 37013 OH2 TIP3 10235 -24.955 30.406 -3.821 1.00 0.00 WAT +ATOM 37014 H1 TIP3 10235 -24.254 31.048 -4.027 1.00 0.00 WAT +ATOM 37015 H2 TIP3 10235 -25.719 31.012 -3.808 1.00 0.00 WAT +ATOM 37016 OH2 TIP3 10236 -41.007 16.873 8.845 1.00 0.00 WAT +ATOM 37017 H1 TIP3 10236 -41.876 17.247 8.609 1.00 0.00 WAT +ATOM 37018 H2 TIP3 10236 -41.225 16.015 9.252 1.00 0.00 WAT +ATOM 37019 OH2 TIP3 10237 -28.719 24.774 -1.962 1.00 0.00 WAT +ATOM 37020 H1 TIP3 10237 -28.995 24.032 -1.397 1.00 0.00 WAT +ATOM 37021 H2 TIP3 10237 -27.751 24.748 -1.865 1.00 0.00 WAT +ATOM 37022 OH2 TIP3 10238 -41.276 28.573 7.253 1.00 0.00 WAT +ATOM 37023 H1 TIP3 10238 -41.093 27.629 7.359 1.00 0.00 WAT +ATOM 37024 H2 TIP3 10238 -40.957 28.910 8.097 1.00 0.00 WAT +ATOM 37025 OH2 TIP3 10239 -35.436 27.201 -5.768 1.00 0.00 WAT +ATOM 37026 H1 TIP3 10239 -35.163 26.411 -6.269 1.00 0.00 WAT +ATOM 37027 H2 TIP3 10239 -35.870 26.798 -4.996 1.00 0.00 WAT +ATOM 37028 OH2 TIP3 10240 -36.577 26.702 -3.055 1.00 0.00 WAT +ATOM 37029 H1 TIP3 10240 -36.115 26.200 -2.371 1.00 0.00 WAT +ATOM 37030 H2 TIP3 10240 -36.461 27.625 -2.745 1.00 0.00 WAT +ATOM 37031 OH2 TIP3 10241 -39.847 24.129 -2.705 1.00 0.00 WAT +ATOM 37032 H1 TIP3 10241 -40.559 24.535 -2.151 1.00 0.00 WAT +ATOM 37033 H2 TIP3 10241 -39.378 24.940 -2.961 1.00 0.00 WAT +ATOM 37034 OH2 TIP3 10242 -32.101 16.623 7.354 1.00 0.00 WAT +ATOM 37035 H1 TIP3 10242 -31.480 16.898 8.045 1.00 0.00 WAT +ATOM 37036 H2 TIP3 10242 -32.588 15.889 7.779 1.00 0.00 WAT +ATOM 37037 OH2 TIP3 10243 -33.653 28.340 -2.431 1.00 0.00 WAT +ATOM 37038 H1 TIP3 10243 -34.474 28.828 -2.253 1.00 0.00 WAT +ATOM 37039 H2 TIP3 10243 -33.301 28.821 -3.192 1.00 0.00 WAT +ATOM 37040 OH2 TIP3 10244 -33.767 18.022 -0.426 1.00 0.00 WAT +ATOM 37041 H1 TIP3 10244 -33.216 18.791 -0.200 1.00 0.00 WAT +ATOM 37042 H2 TIP3 10244 -34.258 17.866 0.409 1.00 0.00 WAT +ATOM 37043 OH2 TIP3 10245 -33.677 18.967 8.715 1.00 0.00 WAT +ATOM 37044 H1 TIP3 10245 -33.637 19.492 9.531 1.00 0.00 WAT +ATOM 37045 H2 TIP3 10245 -33.140 18.199 8.951 1.00 0.00 WAT +ATOM 37046 OH2 TIP3 10246 -33.181 15.190 0.423 1.00 0.00 WAT +ATOM 37047 H1 TIP3 10246 -33.551 15.703 1.162 1.00 0.00 WAT +ATOM 37048 H2 TIP3 10246 -32.469 15.774 0.144 1.00 0.00 WAT +ATOM 37049 OH2 TIP3 10247 -36.443 29.405 -2.436 1.00 0.00 WAT +ATOM 37050 H1 TIP3 10247 -36.522 30.213 -2.986 1.00 0.00 WAT +ATOM 37051 H2 TIP3 10247 -36.593 29.756 -1.540 1.00 0.00 WAT +ATOM 37052 OH2 TIP3 10248 -37.774 16.087 -2.914 1.00 0.00 WAT +ATOM 37053 H1 TIP3 10248 -37.640 16.883 -2.372 1.00 0.00 WAT +ATOM 37054 H2 TIP3 10248 -36.971 15.565 -2.732 1.00 0.00 WAT +ATOM 37055 OH2 TIP3 10249 -27.423 16.986 9.618 1.00 0.00 WAT +ATOM 37056 H1 TIP3 10249 -28.375 17.103 9.433 1.00 0.00 WAT +ATOM 37057 H2 TIP3 10249 -27.122 16.782 8.719 1.00 0.00 WAT +ATOM 37058 OH2 TIP3 10250 -28.870 20.798 3.572 1.00 0.00 WAT +ATOM 37059 H1 TIP3 10250 -29.687 20.320 3.354 1.00 0.00 WAT +ATOM 37060 H2 TIP3 10250 -28.367 20.115 4.071 1.00 0.00 WAT +ATOM 37061 OH2 TIP3 10251 -39.297 26.969 -3.883 1.00 0.00 WAT +ATOM 37062 H1 TIP3 10251 -38.543 27.431 -3.487 1.00 0.00 WAT +ATOM 37063 H2 TIP3 10251 -38.837 26.429 -4.541 1.00 0.00 WAT +ATOM 37064 OH2 TIP3 10252 -41.129 19.134 -4.710 1.00 0.00 WAT +ATOM 37065 H1 TIP3 10252 -41.131 20.086 -4.525 1.00 0.00 WAT +ATOM 37066 H2 TIP3 10252 -41.885 18.999 -5.296 1.00 0.00 WAT +ATOM 37067 OH2 TIP3 10253 -27.881 29.678 5.021 1.00 0.00 WAT +ATOM 37068 H1 TIP3 10253 -28.048 30.496 4.512 1.00 0.00 WAT +ATOM 37069 H2 TIP3 10253 -26.952 29.816 5.264 1.00 0.00 WAT +ATOM 37070 OH2 TIP3 10254 -40.269 14.107 3.974 1.00 0.00 WAT +ATOM 37071 H1 TIP3 10254 -40.563 14.058 3.046 1.00 0.00 WAT +ATOM 37072 H2 TIP3 10254 -40.672 13.296 4.350 1.00 0.00 WAT +ATOM 37073 OH2 TIP3 10255 -41.348 27.778 0.272 1.00 0.00 WAT +ATOM 37074 H1 TIP3 10255 -42.267 28.083 0.338 1.00 0.00 WAT +ATOM 37075 H2 TIP3 10255 -41.065 28.172 -0.564 1.00 0.00 WAT +ATOM 37076 OH2 TIP3 10256 -42.137 30.526 11.476 1.00 0.00 WAT +ATOM 37077 H1 TIP3 10256 -41.510 30.519 12.220 1.00 0.00 WAT +ATOM 37078 H2 TIP3 10256 -42.165 29.565 11.325 1.00 0.00 WAT +ATOM 37079 OH2 TIP3 10257 -37.192 29.656 13.233 1.00 0.00 WAT +ATOM 37080 H1 TIP3 10257 -36.556 28.942 13.392 1.00 0.00 WAT +ATOM 37081 H2 TIP3 10257 -37.501 29.426 12.341 1.00 0.00 WAT +ATOM 37082 OH2 TIP3 10258 -33.225 28.904 -5.274 1.00 0.00 WAT +ATOM 37083 H1 TIP3 10258 -33.993 28.299 -5.368 1.00 0.00 WAT +ATOM 37084 H2 TIP3 10258 -32.526 28.346 -5.649 1.00 0.00 WAT +ATOM 37085 OH2 TIP3 10259 -30.853 27.974 11.844 1.00 0.00 WAT +ATOM 37086 H1 TIP3 10259 -31.211 27.124 12.158 1.00 0.00 WAT +ATOM 37087 H2 TIP3 10259 -30.106 28.124 12.448 1.00 0.00 WAT +ATOM 37088 OH2 TIP3 10260 -28.598 28.806 -5.172 1.00 0.00 WAT +ATOM 37089 H1 TIP3 10260 -28.431 28.012 -4.636 1.00 0.00 WAT +ATOM 37090 H2 TIP3 10260 -27.797 28.851 -5.723 1.00 0.00 WAT +ATOM 37091 OH2 TIP3 10261 -41.988 24.560 12.089 1.00 0.00 WAT +ATOM 37092 H1 TIP3 10261 -41.900 23.664 11.731 1.00 0.00 WAT +ATOM 37093 H2 TIP3 10261 -42.868 24.822 11.777 1.00 0.00 WAT +ATOM 37094 OH2 TIP3 10262 -37.808 24.642 -5.428 1.00 0.00 WAT +ATOM 37095 H1 TIP3 10262 -37.627 24.050 -4.679 1.00 0.00 WAT +ATOM 37096 H2 TIP3 10262 -36.959 24.605 -5.905 1.00 0.00 WAT +ATOM 37097 OH2 TIP3 10263 -35.385 24.416 11.888 1.00 0.00 WAT +ATOM 37098 H1 TIP3 10263 -35.692 24.738 11.024 1.00 0.00 WAT +ATOM 37099 H2 TIP3 10263 -35.306 23.450 11.741 1.00 0.00 WAT +ATOM 37100 OH2 TIP3 10264 -32.546 25.974 -5.824 1.00 0.00 WAT +ATOM 37101 H1 TIP3 10264 -32.615 25.927 -4.854 1.00 0.00 WAT +ATOM 37102 H2 TIP3 10264 -32.612 25.020 -6.044 1.00 0.00 WAT +ATOM 37103 OH2 TIP3 10265 -30.013 24.026 9.276 1.00 0.00 WAT +ATOM 37104 H1 TIP3 10265 -29.226 24.560 9.082 1.00 0.00 WAT +ATOM 37105 H2 TIP3 10265 -30.709 24.702 9.256 1.00 0.00 WAT +ATOM 37106 OH2 TIP3 10266 -41.340 21.294 11.865 1.00 0.00 WAT +ATOM 37107 H1 TIP3 10266 -40.559 20.719 11.760 1.00 0.00 WAT +ATOM 37108 H2 TIP3 10266 -41.247 21.557 12.791 1.00 0.00 WAT +ATOM 37109 OH2 TIP3 10267 -36.723 22.720 -3.091 1.00 0.00 WAT +ATOM 37110 H1 TIP3 10267 -37.356 22.225 -2.548 1.00 0.00 WAT +ATOM 37111 H2 TIP3 10267 -36.444 22.036 -3.732 1.00 0.00 WAT +ATOM 37112 OH2 TIP3 10268 -37.498 20.490 9.167 1.00 0.00 WAT +ATOM 37113 H1 TIP3 10268 -38.055 21.272 9.334 1.00 0.00 WAT +ATOM 37114 H2 TIP3 10268 -36.850 20.839 8.529 1.00 0.00 WAT +ATOM 37115 OH2 TIP3 10269 -35.755 20.732 -4.843 1.00 0.00 WAT +ATOM 37116 H1 TIP3 10269 -35.816 20.804 -5.814 1.00 0.00 WAT +ATOM 37117 H2 TIP3 10269 -34.791 20.757 -4.708 1.00 0.00 WAT +ATOM 37118 OH2 TIP3 10270 -32.177 23.199 12.730 1.00 0.00 WAT +ATOM 37119 H1 TIP3 10270 -31.292 22.995 12.391 1.00 0.00 WAT +ATOM 37120 H2 TIP3 10270 -32.447 22.342 13.089 1.00 0.00 WAT +ATOM 37121 OH2 TIP3 10271 -26.283 23.213 -5.537 1.00 0.00 WAT +ATOM 37122 H1 TIP3 10271 -26.475 22.836 -6.406 1.00 0.00 WAT +ATOM 37123 H2 TIP3 10271 -26.369 24.170 -5.732 1.00 0.00 WAT +ATOM 37124 OH2 TIP3 10272 -36.912 17.781 10.300 1.00 0.00 WAT +ATOM 37125 H1 TIP3 10272 -36.840 17.118 9.588 1.00 0.00 WAT +ATOM 37126 H2 TIP3 10272 -37.113 18.587 9.793 1.00 0.00 WAT +ATOM 37127 OH2 TIP3 10273 -36.570 16.261 7.754 1.00 0.00 WAT +ATOM 37128 H1 TIP3 10273 -36.060 16.761 7.091 1.00 0.00 WAT +ATOM 37129 H2 TIP3 10273 -37.480 16.272 7.390 1.00 0.00 WAT +ATOM 37130 OH2 TIP3 10274 -35.007 21.697 8.150 1.00 0.00 WAT +ATOM 37131 H1 TIP3 10274 -34.174 21.612 7.665 1.00 0.00 WAT +ATOM 37132 H2 TIP3 10274 -35.324 22.568 7.837 1.00 0.00 WAT +ATOM 37133 OH2 TIP3 10275 -30.436 19.626 12.943 1.00 0.00 WAT +ATOM 37134 H1 TIP3 10275 -30.213 18.688 13.048 1.00 0.00 WAT +ATOM 37135 H2 TIP3 10275 -29.554 20.021 12.865 1.00 0.00 WAT +ATOM 37136 OH2 TIP3 10276 -29.484 22.420 11.426 1.00 0.00 WAT +ATOM 37137 H1 TIP3 10276 -29.814 23.028 10.731 1.00 0.00 WAT +ATOM 37138 H2 TIP3 10276 -28.584 22.255 11.081 1.00 0.00 WAT +ATOM 37139 OH2 TIP3 10277 -38.761 19.677 12.075 1.00 0.00 WAT +ATOM 37140 H1 TIP3 10277 -39.296 18.864 12.097 1.00 0.00 WAT +ATOM 37141 H2 TIP3 10277 -37.958 19.376 11.624 1.00 0.00 WAT +ATOM 37142 OH2 TIP3 10278 -35.852 13.576 8.099 1.00 0.00 WAT +ATOM 37143 H1 TIP3 10278 -36.038 14.525 7.935 1.00 0.00 WAT +ATOM 37144 H2 TIP3 10278 -36.552 13.150 7.564 1.00 0.00 WAT +ATOM 37145 OH2 TIP3 10279 -34.587 18.154 11.890 1.00 0.00 WAT +ATOM 37146 H1 TIP3 10279 -34.932 17.919 12.769 1.00 0.00 WAT +ATOM 37147 H2 TIP3 10279 -35.377 17.952 11.346 1.00 0.00 WAT +ATOM 37148 OH2 TIP3 10280 -32.044 17.196 10.752 1.00 0.00 WAT +ATOM 37149 H1 TIP3 10280 -32.927 17.233 11.164 1.00 0.00 WAT +ATOM 37150 H2 TIP3 10280 -31.582 16.559 11.332 1.00 0.00 WAT +ATOM 37151 OH2 TIP3 10281 -30.216 15.679 12.479 1.00 0.00 WAT +ATOM 37152 H1 TIP3 10281 -30.355 14.726 12.646 1.00 0.00 WAT +ATOM 37153 H2 TIP3 10281 -30.377 16.085 13.351 1.00 0.00 WAT +ATOM 37154 OH2 TIP3 10282 -40.144 17.115 11.916 1.00 0.00 WAT +ATOM 37155 H1 TIP3 10282 -40.161 16.385 11.276 1.00 0.00 WAT +ATOM 37156 H2 TIP3 10282 -40.321 16.651 12.755 1.00 0.00 WAT +ATOM 37157 OH2 TIP3 10283 -36.007 13.069 10.911 1.00 0.00 WAT +ATOM 37158 H1 TIP3 10283 -35.420 12.298 10.958 1.00 0.00 WAT +ATOM 37159 H2 TIP3 10283 -36.047 13.211 9.944 1.00 0.00 WAT +ATOM 37160 OH2 TIP3 10284 -35.056 14.926 12.767 1.00 0.00 WAT +ATOM 37161 H1 TIP3 10284 -35.358 14.338 12.045 1.00 0.00 WAT +ATOM 37162 H2 TIP3 10284 -35.751 15.602 12.793 1.00 0.00 WAT +ATOM 37163 OH2 TIP3 10285 -35.991 31.968 -3.738 1.00 0.00 WAT +ATOM 37164 H1 TIP3 10285 -35.036 32.087 -3.641 1.00 0.00 WAT +ATOM 37165 H2 TIP3 10285 -36.143 32.413 -4.582 1.00 0.00 WAT +ATOM 37166 OH2 TIP3 10286 -41.981 26.873 -4.674 1.00 0.00 WAT +ATOM 37167 H1 TIP3 10286 -41.228 26.803 -4.057 1.00 0.00 WAT +ATOM 37168 H2 TIP3 10286 -42.189 25.947 -4.866 1.00 0.00 WAT +ATOM 37169 OH2 TIP3 10287 -42.725 29.653 2.462 1.00 0.00 WAT +ATOM 37170 H1 TIP3 10287 -42.769 28.762 2.851 1.00 0.00 WAT +ATOM 37171 H2 TIP3 10287 -42.438 30.162 3.234 1.00 0.00 WAT +ATOM 37172 OH2 TIP3 10288 -25.162 30.858 5.522 1.00 0.00 WAT +ATOM 37173 H1 TIP3 10288 -24.983 30.822 6.473 1.00 0.00 WAT +ATOM 37174 H2 TIP3 10288 -24.300 31.126 5.174 1.00 0.00 WAT +ATOM 37175 OH2 TIP3 10289 -25.278 30.295 8.406 1.00 0.00 WAT +ATOM 37176 H1 TIP3 10289 -25.765 29.535 8.035 1.00 0.00 WAT +ATOM 37177 H2 TIP3 10289 -24.669 29.831 9.001 1.00 0.00 WAT +ATOM 37178 OH2 TIP3 10290 -27.263 25.746 12.670 1.00 0.00 WAT +ATOM 37179 H1 TIP3 10290 -28.132 25.798 13.100 1.00 0.00 WAT +ATOM 37180 H2 TIP3 10290 -26.801 26.534 12.999 1.00 0.00 WAT +ATOM 37181 OH2 TIP3 10291 -25.858 24.615 -1.576 1.00 0.00 WAT +ATOM 37182 H1 TIP3 10291 -24.950 24.947 -1.421 1.00 0.00 WAT +ATOM 37183 H2 TIP3 10291 -25.934 23.990 -0.832 1.00 0.00 WAT +ATOM 37184 OH2 TIP3 10292 -25.397 22.587 0.455 1.00 0.00 WAT +ATOM 37185 H1 TIP3 10292 -26.015 21.932 0.823 1.00 0.00 WAT +ATOM 37186 H2 TIP3 10292 -24.695 22.637 1.130 1.00 0.00 WAT +ATOM 37187 OH2 TIP3 10293 -25.664 25.055 5.369 1.00 0.00 WAT +ATOM 37188 H1 TIP3 10293 -25.013 24.583 4.827 1.00 0.00 WAT +ATOM 37189 H2 TIP3 10293 -25.531 25.975 5.082 1.00 0.00 WAT +ATOM 37190 OH2 TIP3 10294 -26.959 28.006 7.614 1.00 0.00 WAT +ATOM 37191 H1 TIP3 10294 -27.698 28.388 8.117 1.00 0.00 WAT +ATOM 37192 H2 TIP3 10294 -27.412 27.633 6.833 1.00 0.00 WAT +ATOM 37193 OH2 TIP3 10295 -25.141 22.028 -3.023 1.00 0.00 WAT +ATOM 37194 H1 TIP3 10295 -25.652 22.313 -3.803 1.00 0.00 WAT +ATOM 37195 H2 TIP3 10295 -25.253 22.790 -2.433 1.00 0.00 WAT +ATOM 37196 OH2 TIP3 10296 -26.864 19.539 -4.782 1.00 0.00 WAT +ATOM 37197 H1 TIP3 10296 -26.608 20.142 -5.489 1.00 0.00 WAT +ATOM 37198 H2 TIP3 10296 -27.052 18.709 -5.267 1.00 0.00 WAT +ATOM 37199 OH2 TIP3 10297 -27.539 20.553 1.114 1.00 0.00 WAT +ATOM 37200 H1 TIP3 10297 -27.590 19.586 1.096 1.00 0.00 WAT +ATOM 37201 H2 TIP3 10297 -27.808 20.746 2.033 1.00 0.00 WAT +ATOM 37202 OH2 TIP3 10298 -42.559 23.213 5.184 1.00 0.00 WAT +ATOM 37203 H1 TIP3 10298 -42.230 23.437 4.302 1.00 0.00 WAT +ATOM 37204 H2 TIP3 10298 -41.763 22.796 5.580 1.00 0.00 WAT +ATOM 37205 OH2 TIP3 10299 -26.854 22.639 10.381 1.00 0.00 WAT +ATOM 37206 H1 TIP3 10299 -26.116 22.015 10.511 1.00 0.00 WAT +ATOM 37207 H2 TIP3 10299 -26.391 23.459 10.164 1.00 0.00 WAT +ATOM 37208 OH2 TIP3 10300 -25.299 20.706 11.612 1.00 0.00 WAT +ATOM 37209 H1 TIP3 10300 -26.083 20.178 11.353 1.00 0.00 WAT +ATOM 37210 H2 TIP3 10300 -24.582 20.049 11.521 1.00 0.00 WAT +ATOM 37211 OH2 TIP3 10301 -27.354 16.923 -5.600 1.00 0.00 WAT +ATOM 37212 H1 TIP3 10301 -26.735 16.356 -5.108 1.00 0.00 WAT +ATOM 37213 H2 TIP3 10301 -28.160 16.387 -5.670 1.00 0.00 WAT +ATOM 37214 OH2 TIP3 10302 -28.169 18.241 -0.849 1.00 0.00 WAT +ATOM 37215 H1 TIP3 10302 -27.657 17.407 -0.761 1.00 0.00 WAT +ATOM 37216 H2 TIP3 10302 -27.473 18.843 -1.162 1.00 0.00 WAT +ATOM 37217 OH2 TIP3 10303 -27.352 18.834 4.817 1.00 0.00 WAT +ATOM 37218 H1 TIP3 10303 -26.375 18.923 4.782 1.00 0.00 WAT +ATOM 37219 H2 TIP3 10303 -27.484 18.825 5.780 1.00 0.00 WAT +ATOM 37220 OH2 TIP3 10304 -27.199 19.514 7.653 1.00 0.00 WAT +ATOM 37221 H1 TIP3 10304 -28.050 19.914 7.907 1.00 0.00 WAT +ATOM 37222 H2 TIP3 10304 -26.663 20.299 7.431 1.00 0.00 WAT +ATOM 37223 OH2 TIP3 10305 -42.848 18.161 11.248 1.00 0.00 WAT +ATOM 37224 H1 TIP3 10305 -41.959 17.773 11.271 1.00 0.00 WAT +ATOM 37225 H2 TIP3 10305 -43.432 17.416 11.455 1.00 0.00 WAT +ATOM 37226 OH2 TIP3 10306 -24.679 13.660 12.935 1.00 0.00 WAT +ATOM 37227 H1 TIP3 10306 -24.189 12.974 12.434 1.00 0.00 WAT +ATOM 37228 H2 TIP3 10306 -24.607 14.430 12.341 1.00 0.00 WAT +ATOM 37229 OH2 TIP3 10307 -27.173 15.590 -0.623 1.00 0.00 WAT +ATOM 37230 H1 TIP3 10307 -26.932 15.231 0.255 1.00 0.00 WAT +ATOM 37231 H2 TIP3 10307 -27.908 15.008 -0.883 1.00 0.00 WAT +ATOM 37232 OH2 TIP3 10308 -41.949 16.698 4.459 1.00 0.00 WAT +ATOM 37233 H1 TIP3 10308 -41.598 15.797 4.395 1.00 0.00 WAT +ATOM 37234 H2 TIP3 10308 -41.146 17.231 4.592 1.00 0.00 WAT +ATOM 37235 OH2 TIP3 10309 -43.325 19.329 5.270 1.00 0.00 WAT +ATOM 37236 H1 TIP3 10309 -42.953 18.796 4.552 1.00 0.00 WAT +ATOM 37237 H2 TIP3 10309 -43.133 20.225 4.972 1.00 0.00 WAT +ATOM 37238 OH2 TIP3 10310 -25.267 15.737 11.188 1.00 0.00 WAT +ATOM 37239 H1 TIP3 10310 -26.150 16.149 11.199 1.00 0.00 WAT +ATOM 37240 H2 TIP3 10310 -25.352 15.172 10.400 1.00 0.00 WAT +ATOM 37241 OH2 TIP3 10311 -25.039 15.808 -4.160 1.00 0.00 WAT +ATOM 37242 H1 TIP3 10311 -24.592 15.021 -4.484 1.00 0.00 WAT +ATOM 37243 H2 TIP3 10311 -24.284 16.331 -3.824 1.00 0.00 WAT +ATOM 37244 OH2 TIP3 10312 -43.159 15.456 -1.202 1.00 0.00 WAT +ATOM 37245 H1 TIP3 10312 -43.997 15.731 -1.603 1.00 0.00 WAT +ATOM 37246 H2 TIP3 10312 -42.560 16.148 -1.568 1.00 0.00 WAT +ATOM 37247 OH2 TIP3 10313 -28.277 30.898 1.320 1.00 0.00 WAT +ATOM 37248 H1 TIP3 10313 -27.803 30.647 0.509 1.00 0.00 WAT +ATOM 37249 H2 TIP3 10313 -27.566 31.264 1.860 1.00 0.00 WAT +ATOM 37250 OH2 TIP3 10314 -42.913 14.427 7.153 1.00 0.00 WAT +ATOM 37251 H1 TIP3 10314 -43.602 14.331 7.853 1.00 0.00 WAT +ATOM 37252 H2 TIP3 10314 -43.366 14.882 6.427 1.00 0.00 WAT +ATOM 37253 OH2 TIP3 10315 -41.171 27.946 11.824 1.00 0.00 WAT +ATOM 37254 H1 TIP3 10315 -41.681 27.321 11.299 1.00 0.00 WAT +ATOM 37255 H2 TIP3 10315 -41.336 27.601 12.733 1.00 0.00 WAT +ATOM 37256 OH2 TIP3 10316 -38.017 28.608 7.751 1.00 0.00 WAT +ATOM 37257 H1 TIP3 10316 -38.340 29.435 7.352 1.00 0.00 WAT +ATOM 37258 H2 TIP3 10316 -37.062 28.695 7.552 1.00 0.00 WAT +ATOM 37259 OH2 TIP3 10317 -33.529 29.901 10.737 1.00 0.00 WAT +ATOM 37260 H1 TIP3 10317 -33.349 29.722 11.670 1.00 0.00 WAT +ATOM 37261 H2 TIP3 10317 -32.698 30.340 10.459 1.00 0.00 WAT +ATOM 37262 OH2 TIP3 10318 -31.237 31.336 10.004 1.00 0.00 WAT +ATOM 37263 H1 TIP3 10318 -30.533 30.720 9.745 1.00 0.00 WAT +ATOM 37264 H2 TIP3 10318 -30.912 31.657 10.865 1.00 0.00 WAT +ATOM 37265 OH2 TIP3 10319 -26.382 13.929 9.153 1.00 0.00 WAT +ATOM 37266 H1 TIP3 10319 -27.179 14.147 8.640 1.00 0.00 WAT +ATOM 37267 H2 TIP3 10319 -26.178 13.030 8.817 1.00 0.00 WAT +ATOM 37268 OH2 TIP3 10320 -40.691 31.653 7.977 1.00 0.00 WAT +ATOM 37269 H1 TIP3 10320 -41.372 32.145 7.479 1.00 0.00 WAT +ATOM 37270 H2 TIP3 10320 -41.029 31.729 8.876 1.00 0.00 WAT +ATOM 37271 OH2 TIP3 10321 -38.175 31.321 6.619 1.00 0.00 WAT +ATOM 37272 H1 TIP3 10321 -39.047 31.507 7.023 1.00 0.00 WAT +ATOM 37273 H2 TIP3 10321 -38.143 31.984 5.905 1.00 0.00 WAT +ATOM 37274 OH2 TIP3 10322 -33.415 31.313 6.161 1.00 0.00 WAT +ATOM 37275 H1 TIP3 10322 -33.793 31.751 5.376 1.00 0.00 WAT +ATOM 37276 H2 TIP3 10322 -33.326 32.066 6.774 1.00 0.00 WAT +ATOM 37277 OH2 TIP3 10323 -31.090 30.031 7.098 1.00 0.00 WAT +ATOM 37278 H1 TIP3 10323 -31.927 30.390 6.747 1.00 0.00 WAT +ATOM 37279 H2 TIP3 10323 -30.511 30.805 7.046 1.00 0.00 WAT +ATOM 37280 OH2 TIP3 10324 -28.560 31.754 7.263 1.00 0.00 WAT +ATOM 37281 H1 TIP3 10324 -28.595 32.706 7.045 1.00 0.00 WAT +ATOM 37282 H2 TIP3 10324 -28.264 31.390 6.412 1.00 0.00 WAT +ATOM 37283 OH2 TIP3 10325 -41.247 30.410 4.959 1.00 0.00 WAT +ATOM 37284 H1 TIP3 10325 -41.337 29.939 5.812 1.00 0.00 WAT +ATOM 37285 H2 TIP3 10325 -40.501 29.929 4.558 1.00 0.00 WAT +ATOM 37286 OH2 TIP3 10326 -39.101 29.135 3.461 1.00 0.00 WAT +ATOM 37287 H1 TIP3 10326 -39.265 28.209 3.732 1.00 0.00 WAT +ATOM 37288 H2 TIP3 10326 -38.194 29.284 3.786 1.00 0.00 WAT +ATOM 37289 OH2 TIP3 10327 -36.288 29.562 4.316 1.00 0.00 WAT +ATOM 37290 H1 TIP3 10327 -36.122 28.630 4.090 1.00 0.00 WAT +ATOM 37291 H2 TIP3 10327 -36.241 29.523 5.283 1.00 0.00 WAT +ATOM 37292 OH2 TIP3 10328 -32.969 15.443 3.511 1.00 0.00 WAT +ATOM 37293 H1 TIP3 10328 -33.639 14.770 3.743 1.00 0.00 WAT +ATOM 37294 H2 TIP3 10328 -32.318 14.912 3.021 1.00 0.00 WAT +ATOM 37295 OH2 TIP3 10329 -28.008 13.498 4.104 1.00 0.00 WAT +ATOM 37296 H1 TIP3 10329 -27.242 13.906 3.663 1.00 0.00 WAT +ATOM 37297 H2 TIP3 10329 -28.743 13.744 3.522 1.00 0.00 WAT +ATOM 37298 OH2 TIP3 10330 -26.021 14.627 1.921 1.00 0.00 WAT +ATOM 37299 H1 TIP3 10330 -25.296 14.091 1.534 1.00 0.00 WAT +ATOM 37300 H2 TIP3 10330 -25.578 15.498 2.009 1.00 0.00 WAT +ATOM 37301 OH2 TIP3 10331 -41.015 13.999 1.126 1.00 0.00 WAT +ATOM 37302 H1 TIP3 10331 -41.781 13.723 0.608 1.00 0.00 WAT +ATOM 37303 H2 TIP3 10331 -40.464 13.193 1.057 1.00 0.00 WAT +ATOM 37304 OH2 TIP3 10332 -41.848 13.662 -3.046 1.00 0.00 WAT +ATOM 37305 H1 TIP3 10332 -41.320 14.319 -3.538 1.00 0.00 WAT +ATOM 37306 H2 TIP3 10332 -42.338 14.229 -2.425 1.00 0.00 WAT +ATOM 37307 OH2 TIP3 10333 -36.102 14.109 1.022 1.00 0.00 WAT +ATOM 37308 H1 TIP3 10333 -35.141 14.160 0.934 1.00 0.00 WAT +ATOM 37309 H2 TIP3 10333 -36.202 13.920 1.962 1.00 0.00 WAT +ATOM 37310 OH2 TIP3 10334 -30.595 14.034 2.439 1.00 0.00 WAT +ATOM 37311 H1 TIP3 10334 -30.280 13.810 1.552 1.00 0.00 WAT +ATOM 37312 H2 TIP3 10334 -30.940 13.169 2.739 1.00 0.00 WAT +ATOM 37313 OH2 TIP3 10335 -29.612 14.139 -1.553 1.00 0.00 WAT +ATOM 37314 H1 TIP3 10335 -30.421 14.273 -2.056 1.00 0.00 WAT +ATOM 37315 H2 TIP3 10335 -29.711 13.199 -1.317 1.00 0.00 WAT +ATOM 37316 OH2 TIP3 10336 -41.864 29.650 -1.997 1.00 0.00 WAT +ATOM 37317 H1 TIP3 10336 -42.514 29.463 -2.683 1.00 0.00 WAT +ATOM 37318 H2 TIP3 10336 -41.838 30.616 -2.008 1.00 0.00 WAT +ATOM 37319 OH2 TIP3 10337 -40.063 15.526 -4.491 1.00 0.00 WAT +ATOM 37320 H1 TIP3 10337 -39.509 14.920 -5.011 1.00 0.00 WAT +ATOM 37321 H2 TIP3 10337 -39.435 15.798 -3.792 1.00 0.00 WAT +ATOM 37322 OH2 TIP3 10338 -34.794 15.718 -2.006 1.00 0.00 WAT +ATOM 37323 H1 TIP3 10338 -34.705 15.041 -1.318 1.00 0.00 WAT +ATOM 37324 H2 TIP3 10338 -34.931 16.515 -1.479 1.00 0.00 WAT +ATOM 37325 OH2 TIP3 10339 -32.951 31.435 -3.657 1.00 0.00 WAT +ATOM 37326 H1 TIP3 10339 -31.977 31.446 -3.701 1.00 0.00 WAT +ATOM 37327 H2 TIP3 10339 -33.149 30.779 -4.345 1.00 0.00 WAT +ATOM 37328 OH2 TIP3 10340 -26.457 30.465 -1.075 1.00 0.00 WAT +ATOM 37329 H1 TIP3 10340 -26.683 29.625 -1.520 1.00 0.00 WAT +ATOM 37330 H2 TIP3 10340 -26.480 31.086 -1.821 1.00 0.00 WAT +ATOM 37331 OH2 TIP3 10341 -40.797 14.435 10.703 1.00 0.00 WAT +ATOM 37332 H1 TIP3 10341 -41.247 13.664 11.085 1.00 0.00 WAT +ATOM 37333 H2 TIP3 10341 -39.878 14.267 10.973 1.00 0.00 WAT +ATOM 37334 OH2 TIP3 10342 -38.425 13.792 12.457 1.00 0.00 WAT +ATOM 37335 H1 TIP3 10342 -37.609 13.439 12.047 1.00 0.00 WAT +ATOM 37336 H2 TIP3 10342 -38.778 12.993 12.884 1.00 0.00 WAT +ATOM 37337 OH2 TIP3 10343 -40.112 30.655 -5.005 1.00 0.00 WAT +ATOM 37338 H1 TIP3 10343 -40.421 30.825 -4.103 1.00 0.00 WAT +ATOM 37339 H2 TIP3 10343 -39.418 29.990 -4.861 1.00 0.00 WAT +ATOM 37340 OH2 TIP3 10344 -30.302 12.861 12.606 1.00 0.00 WAT +ATOM 37341 H1 TIP3 10344 -30.263 12.468 13.500 1.00 0.00 WAT +ATOM 37342 H2 TIP3 10344 -29.360 12.857 12.354 1.00 0.00 WAT +ATOM 37343 OH2 TIP3 10345 -26.966 29.223 11.332 1.00 0.00 WAT +ATOM 37344 H1 TIP3 10345 -27.672 29.032 10.689 1.00 0.00 WAT +ATOM 37345 H2 TIP3 10345 -27.111 30.175 11.486 1.00 0.00 WAT +ATOM 37346 OH2 TIP3 10346 -21.119 21.993 6.051 1.00 0.00 WAT +ATOM 37347 H1 TIP3 10346 -21.178 21.167 6.569 1.00 0.00 WAT +ATOM 37348 H2 TIP3 10346 -20.604 22.540 6.664 1.00 0.00 WAT +ATOM 37349 OH2 TIP3 10347 -20.482 26.546 4.784 1.00 0.00 WAT +ATOM 37350 H1 TIP3 10347 -20.756 25.650 4.499 1.00 0.00 WAT +ATOM 37351 H2 TIP3 10347 -19.607 26.348 5.134 1.00 0.00 WAT +ATOM 37352 OH2 TIP3 10348 -23.753 19.893 0.153 1.00 0.00 WAT +ATOM 37353 H1 TIP3 10348 -24.092 20.799 0.155 1.00 0.00 WAT +ATOM 37354 H2 TIP3 10348 -24.441 19.418 -0.331 1.00 0.00 WAT +ATOM 37355 OH2 TIP3 10349 -22.852 22.254 2.066 1.00 0.00 WAT +ATOM 37356 H1 TIP3 10349 -22.641 21.423 2.524 1.00 0.00 WAT +ATOM 37357 H2 TIP3 10349 -22.082 22.337 1.477 1.00 0.00 WAT +ATOM 37358 OH2 TIP3 10350 -18.951 17.369 2.640 1.00 0.00 WAT +ATOM 37359 H1 TIP3 10350 -19.312 18.191 2.298 1.00 0.00 WAT +ATOM 37360 H2 TIP3 10350 -19.408 16.714 2.090 1.00 0.00 WAT +ATOM 37361 OH2 TIP3 10351 -22.170 19.640 3.407 1.00 0.00 WAT +ATOM 37362 H1 TIP3 10351 -21.423 19.195 3.826 1.00 0.00 WAT +ATOM 37363 H2 TIP3 10351 -22.065 19.342 2.487 1.00 0.00 WAT +ATOM 37364 OH2 TIP3 10352 -23.142 25.459 -1.439 1.00 0.00 WAT +ATOM 37365 H1 TIP3 10352 -23.265 25.972 -2.253 1.00 0.00 WAT +ATOM 37366 H2 TIP3 10352 -22.928 26.144 -0.769 1.00 0.00 WAT +ATOM 37367 OH2 TIP3 10353 -11.310 28.803 1.598 1.00 0.00 WAT +ATOM 37368 H1 TIP3 10353 -10.707 28.044 1.598 1.00 0.00 WAT +ATOM 37369 H2 TIP3 10353 -10.683 29.551 1.636 1.00 0.00 WAT +ATOM 37370 OH2 TIP3 10354 -8.302 25.339 8.846 1.00 0.00 WAT +ATOM 37371 H1 TIP3 10354 -8.396 24.771 8.079 1.00 0.00 WAT +ATOM 37372 H2 TIP3 10354 -8.333 26.231 8.442 1.00 0.00 WAT +ATOM 37373 OH2 TIP3 10355 -13.736 21.006 -4.252 1.00 0.00 WAT +ATOM 37374 H1 TIP3 10355 -12.836 21.300 -4.052 1.00 0.00 WAT +ATOM 37375 H2 TIP3 10355 -13.575 20.271 -4.865 1.00 0.00 WAT +ATOM 37376 OH2 TIP3 10356 -20.588 22.650 8.902 1.00 0.00 WAT +ATOM 37377 H1 TIP3 10356 -20.432 23.220 9.677 1.00 0.00 WAT +ATOM 37378 H2 TIP3 10356 -21.549 22.525 8.942 1.00 0.00 WAT +ATOM 37379 OH2 TIP3 10357 -14.281 28.333 0.733 1.00 0.00 WAT +ATOM 37380 H1 TIP3 10357 -13.531 28.594 1.277 1.00 0.00 WAT +ATOM 37381 H2 TIP3 10357 -14.659 29.164 0.418 1.00 0.00 WAT +ATOM 37382 OH2 TIP3 10358 -19.411 28.522 10.412 1.00 0.00 WAT +ATOM 37383 H1 TIP3 10358 -19.316 28.126 9.536 1.00 0.00 WAT +ATOM 37384 H2 TIP3 10358 -20.162 28.036 10.782 1.00 0.00 WAT +ATOM 37385 OH2 TIP3 10359 -20.417 22.024 -0.595 1.00 0.00 WAT +ATOM 37386 H1 TIP3 10359 -20.290 22.648 -1.317 1.00 0.00 WAT +ATOM 37387 H2 TIP3 10359 -20.657 21.205 -1.038 1.00 0.00 WAT +ATOM 37388 OH2 TIP3 10360 -7.015 27.824 -4.722 1.00 0.00 WAT +ATOM 37389 H1 TIP3 10360 -6.755 28.700 -4.384 1.00 0.00 WAT +ATOM 37390 H2 TIP3 10360 -6.312 27.277 -4.324 1.00 0.00 WAT +ATOM 37391 OH2 TIP3 10361 -24.027 24.652 7.850 1.00 0.00 WAT +ATOM 37392 H1 TIP3 10361 -24.426 24.623 6.961 1.00 0.00 WAT +ATOM 37393 H2 TIP3 10361 -23.829 23.714 8.024 1.00 0.00 WAT +ATOM 37394 OH2 TIP3 10362 -23.966 27.549 4.755 1.00 0.00 WAT +ATOM 37395 H1 TIP3 10362 -23.052 27.240 4.833 1.00 0.00 WAT +ATOM 37396 H2 TIP3 10362 -24.020 28.147 5.513 1.00 0.00 WAT +ATOM 37397 OH2 TIP3 10363 -5.580 28.140 10.526 1.00 0.00 WAT +ATOM 37398 H1 TIP3 10363 -5.706 27.191 10.372 1.00 0.00 WAT +ATOM 37399 H2 TIP3 10363 -6.481 28.404 10.820 1.00 0.00 WAT +ATOM 37400 OH2 TIP3 10364 -14.776 31.289 -0.566 1.00 0.00 WAT +ATOM 37401 H1 TIP3 10364 -14.703 31.077 -1.514 1.00 0.00 WAT +ATOM 37402 H2 TIP3 10364 -14.505 32.216 -0.506 1.00 0.00 WAT +ATOM 37403 OH2 TIP3 10365 -20.854 30.349 0.927 1.00 0.00 WAT +ATOM 37404 H1 TIP3 10365 -20.657 29.861 1.751 1.00 0.00 WAT +ATOM 37405 H2 TIP3 10365 -21.662 29.908 0.633 1.00 0.00 WAT +ATOM 37406 OH2 TIP3 10366 -11.320 30.595 -3.563 1.00 0.00 WAT +ATOM 37407 H1 TIP3 10366 -10.834 29.862 -3.981 1.00 0.00 WAT +ATOM 37408 H2 TIP3 10366 -11.413 30.264 -2.646 1.00 0.00 WAT +ATOM 37409 OH2 TIP3 10367 -11.937 30.109 -0.789 1.00 0.00 WAT +ATOM 37410 H1 TIP3 10367 -12.907 30.111 -0.756 1.00 0.00 WAT +ATOM 37411 H2 TIP3 10367 -11.745 29.421 -0.121 1.00 0.00 WAT +ATOM 37412 OH2 TIP3 10368 -8.398 19.754 10.959 1.00 0.00 WAT +ATOM 37413 H1 TIP3 10368 -9.139 20.051 10.417 1.00 0.00 WAT +ATOM 37414 H2 TIP3 10368 -8.466 18.788 10.863 1.00 0.00 WAT +ATOM 37415 OH2 TIP3 10369 -21.506 26.258 8.880 1.00 0.00 WAT +ATOM 37416 H1 TIP3 10369 -21.102 25.745 9.604 1.00 0.00 WAT +ATOM 37417 H2 TIP3 10369 -22.182 25.648 8.555 1.00 0.00 WAT +ATOM 37418 OH2 TIP3 10370 -14.263 16.810 -4.360 1.00 0.00 WAT +ATOM 37419 H1 TIP3 10370 -14.791 16.755 -3.558 1.00 0.00 WAT +ATOM 37420 H2 TIP3 10370 -14.492 15.991 -4.820 1.00 0.00 WAT +ATOM 37421 OH2 TIP3 10371 -21.424 19.647 7.990 1.00 0.00 WAT +ATOM 37422 H1 TIP3 10371 -21.020 19.871 8.833 1.00 0.00 WAT +ATOM 37423 H2 TIP3 10371 -21.473 18.677 8.059 1.00 0.00 WAT +ATOM 37424 OH2 TIP3 10372 -17.888 17.136 -5.398 1.00 0.00 WAT +ATOM 37425 H1 TIP3 10372 -18.210 16.742 -4.560 1.00 0.00 WAT +ATOM 37426 H2 TIP3 10372 -18.713 17.373 -5.826 1.00 0.00 WAT +ATOM 37427 OH2 TIP3 10373 -24.490 16.959 1.767 1.00 0.00 WAT +ATOM 37428 H1 TIP3 10373 -23.799 16.958 2.449 1.00 0.00 WAT +ATOM 37429 H2 TIP3 10373 -24.036 16.604 0.978 1.00 0.00 WAT +ATOM 37430 OH2 TIP3 10374 -23.054 17.400 -2.780 1.00 0.00 WAT +ATOM 37431 H1 TIP3 10374 -22.392 17.962 -3.218 1.00 0.00 WAT +ATOM 37432 H2 TIP3 10374 -23.655 18.059 -2.387 1.00 0.00 WAT +ATOM 37433 OH2 TIP3 10375 -21.172 18.527 0.796 1.00 0.00 WAT +ATOM 37434 H1 TIP3 10375 -22.015 18.796 0.392 1.00 0.00 WAT +ATOM 37435 H2 TIP3 10375 -20.966 17.680 0.357 1.00 0.00 WAT +ATOM 37436 OH2 TIP3 10376 -19.527 19.489 -3.622 1.00 0.00 WAT +ATOM 37437 H1 TIP3 10376 -19.868 19.503 -4.526 1.00 0.00 WAT +ATOM 37438 H2 TIP3 10376 -18.613 19.778 -3.746 1.00 0.00 WAT +ATOM 37439 OH2 TIP3 10377 -8.656 31.999 11.819 1.00 0.00 WAT +ATOM 37440 H1 TIP3 10377 -8.430 32.450 10.988 1.00 0.00 WAT +ATOM 37441 H2 TIP3 10377 -7.952 32.309 12.413 1.00 0.00 WAT +ATOM 37442 OH2 TIP3 10378 -20.744 24.552 11.242 1.00 0.00 WAT +ATOM 37443 H1 TIP3 10378 -20.067 24.699 11.928 1.00 0.00 WAT +ATOM 37444 H2 TIP3 10378 -21.548 24.690 11.773 1.00 0.00 WAT +ATOM 37445 OH2 TIP3 10379 -19.891 15.973 0.220 1.00 0.00 WAT +ATOM 37446 H1 TIP3 10379 -20.351 15.147 0.465 1.00 0.00 WAT +ATOM 37447 H2 TIP3 10379 -19.153 15.631 -0.298 1.00 0.00 WAT +ATOM 37448 OH2 TIP3 10380 -20.549 23.877 3.899 1.00 0.00 WAT +ATOM 37449 H1 TIP3 10380 -20.075 23.596 3.100 1.00 0.00 WAT +ATOM 37450 H2 TIP3 10380 -20.712 23.019 4.322 1.00 0.00 WAT +ATOM 37451 OH2 TIP3 10381 -23.576 22.159 9.232 1.00 0.00 WAT +ATOM 37452 H1 TIP3 10381 -23.327 21.675 10.044 1.00 0.00 WAT +ATOM 37453 H2 TIP3 10381 -24.100 21.507 8.742 1.00 0.00 WAT +ATOM 37454 OH2 TIP3 10382 -6.132 25.069 10.425 1.00 0.00 WAT +ATOM 37455 H1 TIP3 10382 -7.065 25.299 10.211 1.00 0.00 WAT +ATOM 37456 H2 TIP3 10382 -5.752 25.084 9.530 1.00 0.00 WAT +ATOM 37457 OH2 TIP3 10383 -18.365 26.979 1.303 1.00 0.00 WAT +ATOM 37458 H1 TIP3 10383 -17.768 27.721 1.144 1.00 0.00 WAT +ATOM 37459 H2 TIP3 10383 -19.217 27.318 1.031 1.00 0.00 WAT +ATOM 37460 OH2 TIP3 10384 -22.415 21.967 -4.221 1.00 0.00 WAT +ATOM 37461 H1 TIP3 10384 -21.811 22.596 -3.779 1.00 0.00 WAT +ATOM 37462 H2 TIP3 10384 -23.271 22.219 -3.829 1.00 0.00 WAT +ATOM 37463 OH2 TIP3 10385 -17.952 29.967 0.371 1.00 0.00 WAT +ATOM 37464 H1 TIP3 10385 -18.902 30.135 0.455 1.00 0.00 WAT +ATOM 37465 H2 TIP3 10385 -17.576 30.840 0.572 1.00 0.00 WAT +ATOM 37466 OH2 TIP3 10386 -10.087 29.268 9.020 1.00 0.00 WAT +ATOM 37467 H1 TIP3 10386 -10.921 28.951 8.630 1.00 0.00 WAT +ATOM 37468 H2 TIP3 10386 -9.984 30.125 8.569 1.00 0.00 WAT +ATOM 37469 OH2 TIP3 10387 -6.140 30.446 -3.752 1.00 0.00 WAT +ATOM 37470 H1 TIP3 10387 -5.389 31.020 -3.987 1.00 0.00 WAT +ATOM 37471 H2 TIP3 10387 -6.861 31.098 -3.823 1.00 0.00 WAT +ATOM 37472 OH2 TIP3 10388 -22.072 16.817 8.740 1.00 0.00 WAT +ATOM 37473 H1 TIP3 10388 -22.964 16.990 8.407 1.00 0.00 WAT +ATOM 37474 H2 TIP3 10388 -22.130 15.893 9.031 1.00 0.00 WAT +ATOM 37475 OH2 TIP3 10389 -22.442 28.498 7.258 1.00 0.00 WAT +ATOM 37476 H1 TIP3 10389 -22.069 27.619 7.453 1.00 0.00 WAT +ATOM 37477 H2 TIP3 10389 -22.166 28.970 8.053 1.00 0.00 WAT +ATOM 37478 OH2 TIP3 10390 -16.596 27.130 -5.523 1.00 0.00 WAT +ATOM 37479 H1 TIP3 10390 -16.376 26.383 -6.108 1.00 0.00 WAT +ATOM 37480 H2 TIP3 10390 -16.941 26.668 -4.752 1.00 0.00 WAT +ATOM 37481 OH2 TIP3 10391 -20.920 24.170 -2.721 1.00 0.00 WAT +ATOM 37482 H1 TIP3 10391 -21.594 24.466 -2.083 1.00 0.00 WAT +ATOM 37483 H2 TIP3 10391 -20.471 25.007 -2.929 1.00 0.00 WAT +ATOM 37484 OH2 TIP3 10392 -14.562 29.160 -2.459 1.00 0.00 WAT +ATOM 37485 H1 TIP3 10392 -15.453 28.809 -2.332 1.00 0.00 WAT +ATOM 37486 H2 TIP3 10392 -14.344 28.886 -3.362 1.00 0.00 WAT +ATOM 37487 OH2 TIP3 10393 -17.697 29.120 -2.594 1.00 0.00 WAT +ATOM 37488 H1 TIP3 10393 -17.652 29.974 -3.064 1.00 0.00 WAT +ATOM 37489 H2 TIP3 10393 -17.731 29.405 -1.665 1.00 0.00 WAT +ATOM 37490 OH2 TIP3 10394 -18.692 16.195 -2.874 1.00 0.00 WAT +ATOM 37491 H1 TIP3 10394 -18.746 17.057 -2.444 1.00 0.00 WAT +ATOM 37492 H2 TIP3 10394 -17.855 15.819 -2.529 1.00 0.00 WAT +ATOM 37493 OH2 TIP3 10395 -8.352 17.164 9.622 1.00 0.00 WAT +ATOM 37494 H1 TIP3 10395 -9.099 16.706 10.052 1.00 0.00 WAT +ATOM 37495 H2 TIP3 10395 -8.175 16.583 8.872 1.00 0.00 WAT +ATOM 37496 OH2 TIP3 10396 -20.184 26.925 -3.718 1.00 0.00 WAT +ATOM 37497 H1 TIP3 10396 -19.541 27.617 -3.486 1.00 0.00 WAT +ATOM 37498 H2 TIP3 10396 -19.737 26.469 -4.450 1.00 0.00 WAT +ATOM 37499 OH2 TIP3 10397 -22.317 19.189 -5.025 1.00 0.00 WAT +ATOM 37500 H1 TIP3 10397 -22.193 20.064 -4.616 1.00 0.00 WAT +ATOM 37501 H2 TIP3 10397 -23.274 19.103 -5.062 1.00 0.00 WAT +ATOM 37502 OH2 TIP3 10398 -9.214 29.566 5.061 1.00 0.00 WAT +ATOM 37503 H1 TIP3 10398 -9.309 30.374 4.527 1.00 0.00 WAT +ATOM 37504 H2 TIP3 10398 -8.269 29.590 5.252 1.00 0.00 WAT +ATOM 37505 OH2 TIP3 10399 -21.229 14.352 4.080 1.00 0.00 WAT +ATOM 37506 H1 TIP3 10399 -21.191 14.201 3.118 1.00 0.00 WAT +ATOM 37507 H2 TIP3 10399 -21.336 13.457 4.431 1.00 0.00 WAT +ATOM 37508 OH2 TIP3 10400 -22.548 27.649 0.278 1.00 0.00 WAT +ATOM 37509 H1 TIP3 10400 -23.300 28.211 0.507 1.00 0.00 WAT +ATOM 37510 H2 TIP3 10400 -22.106 28.174 -0.405 1.00 0.00 WAT +ATOM 37511 OH2 TIP3 10401 -23.135 30.585 11.452 1.00 0.00 WAT +ATOM 37512 H1 TIP3 10401 -22.520 30.306 12.159 1.00 0.00 WAT +ATOM 37513 H2 TIP3 10401 -23.491 29.727 11.146 1.00 0.00 WAT +ATOM 37514 OH2 TIP3 10402 -18.549 29.563 13.124 1.00 0.00 WAT +ATOM 37515 H1 TIP3 10402 -17.789 29.035 13.409 1.00 0.00 WAT +ATOM 37516 H2 TIP3 10402 -18.597 29.328 12.181 1.00 0.00 WAT +ATOM 37517 OH2 TIP3 10403 -14.404 28.861 -5.289 1.00 0.00 WAT +ATOM 37518 H1 TIP3 10403 -15.166 28.249 -5.374 1.00 0.00 WAT +ATOM 37519 H2 TIP3 10403 -13.693 28.318 -5.662 1.00 0.00 WAT +ATOM 37520 OH2 TIP3 10404 -12.080 27.909 11.754 1.00 0.00 WAT +ATOM 37521 H1 TIP3 10404 -12.275 26.982 11.933 1.00 0.00 WAT +ATOM 37522 H2 TIP3 10404 -11.291 28.078 12.297 1.00 0.00 WAT +ATOM 37523 OH2 TIP3 10405 -9.835 28.531 -5.128 1.00 0.00 WAT +ATOM 37524 H1 TIP3 10405 -9.385 27.880 -4.568 1.00 0.00 WAT +ATOM 37525 H2 TIP3 10405 -9.085 28.806 -5.684 1.00 0.00 WAT +ATOM 37526 OH2 TIP3 10406 -23.212 24.198 12.602 1.00 0.00 WAT +ATOM 37527 H1 TIP3 10406 -23.022 23.337 12.195 1.00 0.00 WAT +ATOM 37528 H2 TIP3 10406 -23.912 24.530 12.008 1.00 0.00 WAT +ATOM 37529 OH2 TIP3 10407 -18.895 24.717 -5.332 1.00 0.00 WAT +ATOM 37530 H1 TIP3 10407 -18.830 23.976 -4.692 1.00 0.00 WAT +ATOM 37531 H2 TIP3 10407 -18.087 24.574 -5.856 1.00 0.00 WAT +ATOM 37532 OH2 TIP3 10408 -13.689 25.962 -5.548 1.00 0.00 WAT +ATOM 37533 H1 TIP3 10408 -13.660 25.890 -4.588 1.00 0.00 WAT +ATOM 37534 H2 TIP3 10408 -13.707 25.019 -5.817 1.00 0.00 WAT +ATOM 37535 OH2 TIP3 10409 -22.274 21.307 11.689 1.00 0.00 WAT +ATOM 37536 H1 TIP3 10409 -21.599 20.612 11.696 1.00 0.00 WAT +ATOM 37537 H2 TIP3 10409 -22.304 21.545 12.629 1.00 0.00 WAT +ATOM 37538 OH2 TIP3 10410 -18.077 22.515 -3.508 1.00 0.00 WAT +ATOM 37539 H1 TIP3 10410 -18.260 22.179 -2.623 1.00 0.00 WAT +ATOM 37540 H2 TIP3 10410 -17.590 21.759 -3.886 1.00 0.00 WAT +ATOM 37541 OH2 TIP3 10411 -18.240 20.540 9.215 1.00 0.00 WAT +ATOM 37542 H1 TIP3 10411 -18.935 21.152 9.487 1.00 0.00 WAT +ATOM 37543 H2 TIP3 10411 -18.191 20.703 8.269 1.00 0.00 WAT +ATOM 37544 OH2 TIP3 10412 -16.737 20.513 -4.915 1.00 0.00 WAT +ATOM 37545 H1 TIP3 10412 -16.879 20.734 -5.849 1.00 0.00 WAT +ATOM 37546 H2 TIP3 10412 -15.818 20.776 -4.761 1.00 0.00 WAT +ATOM 37547 OH2 TIP3 10413 -7.587 22.893 -5.353 1.00 0.00 WAT +ATOM 37548 H1 TIP3 10413 -7.733 22.852 -6.307 1.00 0.00 WAT +ATOM 37549 H2 TIP3 10413 -7.283 23.806 -5.246 1.00 0.00 WAT +ATOM 37550 OH2 TIP3 10414 -10.357 22.146 11.273 1.00 0.00 WAT +ATOM 37551 H1 TIP3 10414 -10.695 22.937 10.853 1.00 0.00 WAT +ATOM 37552 H2 TIP3 10414 -9.461 22.090 10.893 1.00 0.00 WAT +ATOM 37553 OH2 TIP3 10415 -19.608 19.419 11.944 1.00 0.00 WAT +ATOM 37554 H1 TIP3 10415 -20.226 18.668 11.868 1.00 0.00 WAT +ATOM 37555 H2 TIP3 10415 -18.906 19.174 11.322 1.00 0.00 WAT +ATOM 37556 OH2 TIP3 10416 -21.203 17.064 11.847 1.00 0.00 WAT +ATOM 37557 H1 TIP3 10416 -21.252 16.336 11.201 1.00 0.00 WAT +ATOM 37558 H2 TIP3 10416 -21.396 16.596 12.681 1.00 0.00 WAT +ATOM 37559 OH2 TIP3 10417 -16.360 14.690 12.970 1.00 0.00 WAT +ATOM 37560 H1 TIP3 10417 -16.374 14.324 12.082 1.00 0.00 WAT +ATOM 37561 H2 TIP3 10417 -16.778 15.562 12.859 1.00 0.00 WAT +ATOM 37562 OH2 TIP3 10418 -17.158 31.871 -3.730 1.00 0.00 WAT +ATOM 37563 H1 TIP3 10418 -16.220 32.032 -3.561 1.00 0.00 WAT +ATOM 37564 H2 TIP3 10418 -17.283 32.391 -4.534 1.00 0.00 WAT +ATOM 37565 OH2 TIP3 10419 -23.150 26.405 -4.231 1.00 0.00 WAT +ATOM 37566 H1 TIP3 10419 -22.201 26.523 -4.039 1.00 0.00 WAT +ATOM 37567 H2 TIP3 10419 -23.147 25.595 -4.779 1.00 0.00 WAT +ATOM 37568 OH2 TIP3 10420 -24.245 31.565 0.522 1.00 0.00 WAT +ATOM 37569 H1 TIP3 10420 -24.961 31.180 -0.019 1.00 0.00 WAT +ATOM 37570 H2 TIP3 10420 -24.133 30.880 1.212 1.00 0.00 WAT +ATOM 37571 OH2 TIP3 10421 -23.858 29.582 2.511 1.00 0.00 WAT +ATOM 37572 H1 TIP3 10421 -24.137 28.707 2.828 1.00 0.00 WAT +ATOM 37573 H2 TIP3 10421 -23.476 29.928 3.333 1.00 0.00 WAT +ATOM 37574 OH2 TIP3 10422 -6.349 30.878 5.492 1.00 0.00 WAT +ATOM 37575 H1 TIP3 10422 -6.166 30.760 6.434 1.00 0.00 WAT +ATOM 37576 H2 TIP3 10422 -5.473 31.097 5.147 1.00 0.00 WAT +ATOM 37577 OH2 TIP3 10423 -6.481 30.228 8.388 1.00 0.00 WAT +ATOM 37578 H1 TIP3 10423 -6.936 29.466 7.999 1.00 0.00 WAT +ATOM 37579 H2 TIP3 10423 -5.887 29.779 9.010 1.00 0.00 WAT +ATOM 37580 OH2 TIP3 10424 -8.475 25.672 12.715 1.00 0.00 WAT +ATOM 37581 H1 TIP3 10424 -9.289 25.735 13.245 1.00 0.00 WAT +ATOM 37582 H2 TIP3 10424 -7.989 26.470 12.988 1.00 0.00 WAT +ATOM 37583 OH2 TIP3 10425 -8.301 27.744 7.528 1.00 0.00 WAT +ATOM 37584 H1 TIP3 10425 -8.908 28.289 8.068 1.00 0.00 WAT +ATOM 37585 H2 TIP3 10425 -8.783 27.694 6.689 1.00 0.00 WAT +ATOM 37586 OH2 TIP3 10426 -23.645 22.919 4.960 1.00 0.00 WAT +ATOM 37587 H1 TIP3 10426 -23.439 22.916 4.008 1.00 0.00 WAT +ATOM 37588 H2 TIP3 10426 -22.766 22.700 5.331 1.00 0.00 WAT +ATOM 37589 OH2 TIP3 10427 -7.734 22.558 10.310 1.00 0.00 WAT +ATOM 37590 H1 TIP3 10427 -7.212 21.870 10.742 1.00 0.00 WAT +ATOM 37591 H2 TIP3 10427 -7.200 23.363 10.409 1.00 0.00 WAT +ATOM 37592 OH2 TIP3 10428 -23.794 18.272 11.257 1.00 0.00 WAT +ATOM 37593 H1 TIP3 10428 -22.857 17.999 11.296 1.00 0.00 WAT +ATOM 37594 H2 TIP3 10428 -24.238 17.408 11.328 1.00 0.00 WAT +ATOM 37595 OH2 TIP3 10429 -22.743 16.656 4.215 1.00 0.00 WAT +ATOM 37596 H1 TIP3 10429 -22.290 15.784 4.221 1.00 0.00 WAT +ATOM 37597 H2 TIP3 10429 -22.103 17.177 4.707 1.00 0.00 WAT +ATOM 37598 OH2 TIP3 10430 -24.529 19.337 5.048 1.00 0.00 WAT +ATOM 37599 H1 TIP3 10430 -23.836 19.200 4.376 1.00 0.00 WAT +ATOM 37600 H2 TIP3 10430 -24.137 20.056 5.557 1.00 0.00 WAT +ATOM 37601 OH2 TIP3 10431 -6.235 15.873 11.634 1.00 0.00 WAT +ATOM 37602 H1 TIP3 10431 -7.169 16.067 11.800 1.00 0.00 WAT +ATOM 37603 H2 TIP3 10431 -6.265 15.063 11.124 1.00 0.00 WAT +ATOM 37604 OH2 TIP3 10432 -24.036 15.688 -0.718 1.00 0.00 WAT +ATOM 37605 H1 TIP3 10432 -24.951 15.650 -1.025 1.00 0.00 WAT +ATOM 37606 H2 TIP3 10432 -23.553 15.996 -1.503 1.00 0.00 WAT +ATOM 37607 OH2 TIP3 10433 -9.382 30.922 1.301 1.00 0.00 WAT +ATOM 37608 H1 TIP3 10433 -8.926 30.665 0.477 1.00 0.00 WAT +ATOM 37609 H2 TIP3 10433 -8.645 31.240 1.839 1.00 0.00 WAT +ATOM 37610 OH2 TIP3 10434 -23.969 14.353 7.324 1.00 0.00 WAT +ATOM 37611 H1 TIP3 10434 -24.653 14.220 7.993 1.00 0.00 WAT +ATOM 37612 H2 TIP3 10434 -24.407 14.956 6.701 1.00 0.00 WAT +ATOM 37613 OH2 TIP3 10435 -21.946 27.417 11.890 1.00 0.00 WAT +ATOM 37614 H1 TIP3 10435 -22.694 27.589 11.299 1.00 0.00 WAT +ATOM 37615 H2 TIP3 10435 -22.310 27.584 12.765 1.00 0.00 WAT +ATOM 37616 OH2 TIP3 10436 -14.849 29.812 10.538 1.00 0.00 WAT +ATOM 37617 H1 TIP3 10436 -14.659 29.394 11.386 1.00 0.00 WAT +ATOM 37618 H2 TIP3 10436 -13.965 30.070 10.235 1.00 0.00 WAT +ATOM 37619 OH2 TIP3 10437 -12.395 31.298 9.903 1.00 0.00 WAT +ATOM 37620 H1 TIP3 10437 -11.774 30.571 9.770 1.00 0.00 WAT +ATOM 37621 H2 TIP3 10437 -12.151 31.599 10.799 1.00 0.00 WAT +ATOM 37622 OH2 TIP3 10438 -21.832 31.522 8.050 1.00 0.00 WAT +ATOM 37623 H1 TIP3 10438 -22.389 32.185 7.605 1.00 0.00 WAT +ATOM 37624 H2 TIP3 10438 -22.150 31.598 8.957 1.00 0.00 WAT +ATOM 37625 OH2 TIP3 10439 -19.199 30.959 6.541 1.00 0.00 WAT +ATOM 37626 H1 TIP3 10439 -20.009 31.050 7.073 1.00 0.00 WAT +ATOM 37627 H2 TIP3 10439 -19.218 31.734 5.967 1.00 0.00 WAT +ATOM 37628 OH2 TIP3 10440 -14.434 31.290 6.111 1.00 0.00 WAT +ATOM 37629 H1 TIP3 10440 -15.006 31.685 5.436 1.00 0.00 WAT +ATOM 37630 H2 TIP3 10440 -14.522 31.913 6.848 1.00 0.00 WAT +ATOM 37631 OH2 TIP3 10441 -12.130 29.911 6.994 1.00 0.00 WAT +ATOM 37632 H1 TIP3 10441 -13.027 30.184 6.711 1.00 0.00 WAT +ATOM 37633 H2 TIP3 10441 -11.679 30.767 7.007 1.00 0.00 WAT +ATOM 37634 OH2 TIP3 10442 -9.655 31.724 7.250 1.00 0.00 WAT +ATOM 37635 H1 TIP3 10442 -9.736 32.674 7.042 1.00 0.00 WAT +ATOM 37636 H2 TIP3 10442 -9.397 31.374 6.380 1.00 0.00 WAT +ATOM 37637 OH2 TIP3 10443 -22.210 30.316 4.988 1.00 0.00 WAT +ATOM 37638 H1 TIP3 10443 -22.209 29.861 5.856 1.00 0.00 WAT +ATOM 37639 H2 TIP3 10443 -21.431 29.893 4.572 1.00 0.00 WAT +ATOM 37640 OH2 TIP3 10444 -20.168 29.049 3.465 1.00 0.00 WAT +ATOM 37641 H1 TIP3 10444 -20.284 28.117 3.751 1.00 0.00 WAT +ATOM 37642 H2 TIP3 10444 -19.270 29.236 3.799 1.00 0.00 WAT +ATOM 37643 OH2 TIP3 10445 -17.402 29.462 4.406 1.00 0.00 WAT +ATOM 37644 H1 TIP3 10445 -17.119 28.566 4.179 1.00 0.00 WAT +ATOM 37645 H2 TIP3 10445 -17.476 29.425 5.373 1.00 0.00 WAT +ATOM 37646 OH2 TIP3 10446 -21.608 13.787 1.245 1.00 0.00 WAT +ATOM 37647 H1 TIP3 10446 -22.478 13.668 0.815 1.00 0.00 WAT +ATOM 37648 H2 TIP3 10446 -21.186 12.935 1.078 1.00 0.00 WAT +ATOM 37649 OH2 TIP3 10447 -22.777 29.602 -1.778 1.00 0.00 WAT +ATOM 37650 H1 TIP3 10447 -23.410 29.496 -2.504 1.00 0.00 WAT +ATOM 37651 H2 TIP3 10447 -22.770 30.565 -1.690 1.00 0.00 WAT +ATOM 37652 OH2 TIP3 10448 -21.041 15.506 -4.702 1.00 0.00 WAT +ATOM 37653 H1 TIP3 10448 -20.571 14.670 -4.781 1.00 0.00 WAT +ATOM 37654 H2 TIP3 10448 -20.783 15.765 -3.802 1.00 0.00 WAT +ATOM 37655 OH2 TIP3 10449 -16.090 15.314 -1.907 1.00 0.00 WAT +ATOM 37656 H1 TIP3 10449 -15.668 15.177 -1.046 1.00 0.00 WAT +ATOM 37657 H2 TIP3 10449 -15.437 14.924 -2.496 1.00 0.00 WAT +ATOM 37658 OH2 TIP3 10450 -13.993 31.688 -3.845 1.00 0.00 WAT +ATOM 37659 H1 TIP3 10450 -13.045 31.494 -3.762 1.00 0.00 WAT +ATOM 37660 H2 TIP3 10450 -14.308 30.864 -4.240 1.00 0.00 WAT +ATOM 37661 OH2 TIP3 10451 -7.787 30.312 -1.168 1.00 0.00 WAT +ATOM 37662 H1 TIP3 10451 -7.630 29.436 -1.559 1.00 0.00 WAT +ATOM 37663 H2 TIP3 10451 -7.573 30.897 -1.910 1.00 0.00 WAT +ATOM 37664 OH2 TIP3 10452 -21.944 14.391 10.648 1.00 0.00 WAT +ATOM 37665 H1 TIP3 10452 -22.356 13.582 10.999 1.00 0.00 WAT +ATOM 37666 H2 TIP3 10452 -21.013 14.245 10.881 1.00 0.00 WAT +ATOM 37667 OH2 TIP3 10453 -19.592 13.760 12.408 1.00 0.00 WAT +ATOM 37668 H1 TIP3 10453 -18.747 13.383 12.131 1.00 0.00 WAT +ATOM 37669 H2 TIP3 10453 -19.977 12.977 12.836 1.00 0.00 WAT +ATOM 37670 OH2 TIP3 10454 -21.350 30.513 -4.981 1.00 0.00 WAT +ATOM 37671 H1 TIP3 10454 -21.563 30.829 -4.091 1.00 0.00 WAT +ATOM 37672 H2 TIP3 10454 -20.523 30.021 -4.839 1.00 0.00 WAT +ATOM 37673 OH2 TIP3 10455 -8.096 29.224 11.270 1.00 0.00 WAT +ATOM 37674 H1 TIP3 10455 -8.853 29.009 10.698 1.00 0.00 WAT +ATOM 37675 H2 TIP3 10455 -8.285 30.156 11.490 1.00 0.00 WAT +ATOM 37676 OH2 TIP3 10456 6.206 22.941 1.350 1.00 0.00 WAT +ATOM 37677 H1 TIP3 10456 6.106 23.910 1.343 1.00 0.00 WAT +ATOM 37678 H2 TIP3 10456 5.385 22.632 0.952 1.00 0.00 WAT +ATOM 37679 OH2 TIP3 10457 4.956 22.338 4.460 1.00 0.00 WAT +ATOM 37680 H1 TIP3 10457 4.967 21.730 5.213 1.00 0.00 WAT +ATOM 37681 H2 TIP3 10457 4.636 21.748 3.759 1.00 0.00 WAT +ATOM 37682 OH2 TIP3 10458 8.646 25.101 2.826 1.00 0.00 WAT +ATOM 37683 H1 TIP3 10458 8.303 24.335 3.309 1.00 0.00 WAT +ATOM 37684 H2 TIP3 10458 8.914 25.679 3.553 1.00 0.00 WAT +ATOM 37685 OH2 TIP3 10459 -1.807 26.344 4.624 1.00 0.00 WAT +ATOM 37686 H1 TIP3 10459 -2.013 25.572 4.081 1.00 0.00 WAT +ATOM 37687 H2 TIP3 10459 -0.868 26.213 4.828 1.00 0.00 WAT +ATOM 37688 OH2 TIP3 10460 5.717 30.445 3.400 1.00 0.00 WAT +ATOM 37689 H1 TIP3 10460 6.299 29.729 3.079 1.00 0.00 WAT +ATOM 37690 H2 TIP3 10460 5.433 30.097 4.255 1.00 0.00 WAT +ATOM 37691 OH2 TIP3 10461 3.474 24.863 5.028 1.00 0.00 WAT +ATOM 37692 H1 TIP3 10461 3.797 24.088 4.533 1.00 0.00 WAT +ATOM 37693 H2 TIP3 10461 4.273 25.033 5.559 1.00 0.00 WAT +ATOM 37694 OH2 TIP3 10462 5.872 25.684 0.225 1.00 0.00 WAT +ATOM 37695 H1 TIP3 10462 5.771 25.586 -0.726 1.00 0.00 WAT +ATOM 37696 H2 TIP3 10462 5.571 26.598 0.380 1.00 0.00 WAT +ATOM 37697 OH2 TIP3 10463 1.419 23.606 6.857 1.00 0.00 WAT +ATOM 37698 H1 TIP3 10463 0.558 24.053 6.897 1.00 0.00 WAT +ATOM 37699 H2 TIP3 10463 1.957 24.219 6.333 1.00 0.00 WAT +ATOM 37700 OH2 TIP3 10464 -0.571 25.708 7.697 1.00 0.00 WAT +ATOM 37701 H1 TIP3 10464 -0.526 26.612 7.341 1.00 0.00 WAT +ATOM 37702 H2 TIP3 10464 -1.432 25.744 8.149 1.00 0.00 WAT +ATOM 37703 OH2 TIP3 10465 9.207 26.902 5.334 1.00 0.00 WAT +ATOM 37704 H1 TIP3 10465 8.238 27.003 5.352 1.00 0.00 WAT +ATOM 37705 H2 TIP3 10465 9.472 27.760 4.958 1.00 0.00 WAT +ATOM 37706 OH2 TIP3 10466 7.511 28.827 1.920 1.00 0.00 WAT +ATOM 37707 H1 TIP3 10466 7.983 28.028 1.605 1.00 0.00 WAT +ATOM 37708 H2 TIP3 10466 8.181 29.518 1.771 1.00 0.00 WAT +ATOM 37709 OH2 TIP3 10467 8.902 26.731 0.528 1.00 0.00 WAT +ATOM 37710 H1 TIP3 10467 8.550 26.190 -0.193 1.00 0.00 WAT +ATOM 37711 H2 TIP3 10467 8.899 26.084 1.262 1.00 0.00 WAT +ATOM 37712 OH2 TIP3 10468 10.515 25.521 9.000 1.00 0.00 WAT +ATOM 37713 H1 TIP3 10468 10.361 24.862 8.295 1.00 0.00 WAT +ATOM 37714 H2 TIP3 10468 10.630 26.339 8.486 1.00 0.00 WAT +ATOM 37715 OH2 TIP3 10469 12.308 21.686 7.202 1.00 0.00 WAT +ATOM 37716 H1 TIP3 10469 11.396 22.013 7.180 1.00 0.00 WAT +ATOM 37717 H2 TIP3 10469 12.568 21.742 6.271 1.00 0.00 WAT +ATOM 37718 OH2 TIP3 10470 8.322 22.469 -0.271 1.00 0.00 WAT +ATOM 37719 H1 TIP3 10470 7.620 22.634 0.404 1.00 0.00 WAT +ATOM 37720 H2 TIP3 10470 8.794 21.730 0.112 1.00 0.00 WAT +ATOM 37721 OH2 TIP3 10471 8.439 20.650 8.557 1.00 0.00 WAT +ATOM 37722 H1 TIP3 10471 8.360 21.371 9.189 1.00 0.00 WAT +ATOM 37723 H2 TIP3 10471 7.739 20.875 7.928 1.00 0.00 WAT +ATOM 37724 OH2 TIP3 10472 1.208 26.592 4.242 1.00 0.00 WAT +ATOM 37725 H1 TIP3 10472 1.177 26.169 3.373 1.00 0.00 WAT +ATOM 37726 H2 TIP3 10472 2.001 26.172 4.630 1.00 0.00 WAT +ATOM 37727 OH2 TIP3 10473 6.368 27.529 5.621 1.00 0.00 WAT +ATOM 37728 H1 TIP3 10473 6.427 28.170 6.349 1.00 0.00 WAT +ATOM 37729 H2 TIP3 10473 6.197 26.686 6.077 1.00 0.00 WAT +ATOM 37730 OH2 TIP3 10474 1.310 26.336 9.876 1.00 0.00 WAT +ATOM 37731 H1 TIP3 10474 0.778 26.990 10.362 1.00 0.00 WAT +ATOM 37732 H2 TIP3 10474 0.686 26.045 9.183 1.00 0.00 WAT +ATOM 37733 OH2 TIP3 10475 7.028 21.535 -2.791 1.00 0.00 WAT +ATOM 37734 H1 TIP3 10475 7.521 21.639 -1.967 1.00 0.00 WAT +ATOM 37735 H2 TIP3 10475 7.582 22.019 -3.430 1.00 0.00 WAT +ATOM 37736 OH2 TIP3 10476 -2.107 22.388 8.990 1.00 0.00 WAT +ATOM 37737 H1 TIP3 10476 -1.813 23.032 9.654 1.00 0.00 WAT +ATOM 37738 H2 TIP3 10476 -2.871 22.822 8.616 1.00 0.00 WAT +ATOM 37739 OH2 TIP3 10477 4.713 28.477 0.782 1.00 0.00 WAT +ATOM 37740 H1 TIP3 10477 5.153 28.759 1.593 1.00 0.00 WAT +ATOM 37741 H2 TIP3 10477 4.183 29.251 0.539 1.00 0.00 WAT +ATOM 37742 OH2 TIP3 10478 -0.612 28.530 10.697 1.00 0.00 WAT +ATOM 37743 H1 TIP3 10478 -0.714 28.541 9.729 1.00 0.00 WAT +ATOM 37744 H2 TIP3 10478 -1.485 28.229 11.012 1.00 0.00 WAT +ATOM 37745 OH2 TIP3 10479 12.031 27.744 -4.728 1.00 0.00 WAT +ATOM 37746 H1 TIP3 10479 12.200 28.677 -4.490 1.00 0.00 WAT +ATOM 37747 H2 TIP3 10479 12.905 27.338 -4.557 1.00 0.00 WAT +ATOM 37748 OH2 TIP3 10480 -5.161 24.555 7.710 1.00 0.00 WAT +ATOM 37749 H1 TIP3 10480 -5.454 24.742 6.797 1.00 0.00 WAT +ATOM 37750 H2 TIP3 10480 -5.211 23.598 7.736 1.00 0.00 WAT +ATOM 37751 OH2 TIP3 10481 13.281 28.138 10.503 1.00 0.00 WAT +ATOM 37752 H1 TIP3 10481 13.170 27.182 10.338 1.00 0.00 WAT +ATOM 37753 H2 TIP3 10481 12.375 28.375 10.801 1.00 0.00 WAT +ATOM 37754 OH2 TIP3 10482 3.927 27.393 9.309 1.00 0.00 WAT +ATOM 37755 H1 TIP3 10482 4.001 28.208 9.844 1.00 0.00 WAT +ATOM 37756 H2 TIP3 10482 3.030 27.079 9.543 1.00 0.00 WAT +ATOM 37757 OH2 TIP3 10483 4.189 31.198 -0.703 1.00 0.00 WAT +ATOM 37758 H1 TIP3 10483 4.218 31.268 -1.672 1.00 0.00 WAT +ATOM 37759 H2 TIP3 10483 4.283 32.118 -0.413 1.00 0.00 WAT +ATOM 37760 OH2 TIP3 10484 -2.081 30.294 0.929 1.00 0.00 WAT +ATOM 37761 H1 TIP3 10484 -1.871 29.816 1.753 1.00 0.00 WAT +ATOM 37762 H2 TIP3 10484 -2.826 29.752 0.608 1.00 0.00 WAT +ATOM 37763 OH2 TIP3 10485 7.519 30.606 -3.536 1.00 0.00 WAT +ATOM 37764 H1 TIP3 10485 8.094 29.950 -3.976 1.00 0.00 WAT +ATOM 37765 H2 TIP3 10485 7.466 30.238 -2.631 1.00 0.00 WAT +ATOM 37766 OH2 TIP3 10486 6.914 30.044 -0.724 1.00 0.00 WAT +ATOM 37767 H1 TIP3 10486 5.957 30.145 -0.577 1.00 0.00 WAT +ATOM 37768 H2 TIP3 10486 7.097 29.314 -0.106 1.00 0.00 WAT +ATOM 37769 OH2 TIP3 10487 10.092 19.403 10.787 1.00 0.00 WAT +ATOM 37770 H1 TIP3 10487 9.553 19.765 10.059 1.00 0.00 WAT +ATOM 37771 H2 TIP3 10487 10.047 18.458 10.599 1.00 0.00 WAT +ATOM 37772 OH2 TIP3 10488 -2.976 26.179 9.062 1.00 0.00 WAT +ATOM 37773 H1 TIP3 10488 -2.664 25.698 9.859 1.00 0.00 WAT +ATOM 37774 H2 TIP3 10488 -3.678 25.614 8.708 1.00 0.00 WAT +ATOM 37775 OH2 TIP3 10489 8.620 22.870 -4.676 1.00 0.00 WAT +ATOM 37776 H1 TIP3 10489 8.575 22.667 -5.627 1.00 0.00 WAT +ATOM 37777 H2 TIP3 10489 9.557 23.101 -4.580 1.00 0.00 WAT +ATOM 37778 OH2 TIP3 10490 4.819 20.296 11.274 1.00 0.00 WAT +ATOM 37779 H1 TIP3 10490 4.367 19.466 11.524 1.00 0.00 WAT +ATOM 37780 H2 TIP3 10490 5.727 20.118 11.580 1.00 0.00 WAT +ATOM 37781 OH2 TIP3 10491 -2.260 18.818 8.462 1.00 0.00 WAT +ATOM 37782 H1 TIP3 10491 -1.560 19.497 8.538 1.00 0.00 WAT +ATOM 37783 H2 TIP3 10491 -2.261 18.640 7.521 1.00 0.00 WAT +ATOM 37784 OH2 TIP3 10492 5.834 20.982 7.100 1.00 0.00 WAT +ATOM 37785 H1 TIP3 10492 6.084 20.240 6.522 1.00 0.00 WAT +ATOM 37786 H2 TIP3 10492 5.405 20.552 7.851 1.00 0.00 WAT +ATOM 37787 OH2 TIP3 10493 10.191 32.012 11.826 1.00 0.00 WAT +ATOM 37788 H1 TIP3 10493 10.423 32.453 10.992 1.00 0.00 WAT +ATOM 37789 H2 TIP3 10493 10.906 32.306 12.415 1.00 0.00 WAT +ATOM 37790 OH2 TIP3 10494 -1.896 24.605 11.140 1.00 0.00 WAT +ATOM 37791 H1 TIP3 10494 -1.185 24.655 11.812 1.00 0.00 WAT +ATOM 37792 H2 TIP3 10494 -2.667 24.572 11.738 1.00 0.00 WAT +ATOM 37793 OH2 TIP3 10495 3.525 19.744 4.126 1.00 0.00 WAT +ATOM 37794 H1 TIP3 10495 4.086 19.336 3.460 1.00 0.00 WAT +ATOM 37795 H2 TIP3 10495 3.410 19.055 4.793 1.00 0.00 WAT +ATOM 37796 OH2 TIP3 10496 10.053 23.714 6.843 1.00 0.00 WAT +ATOM 37797 H1 TIP3 10496 10.648 24.157 6.204 1.00 0.00 WAT +ATOM 37798 H2 TIP3 10496 9.279 23.516 6.285 1.00 0.00 WAT +ATOM 37799 OH2 TIP3 10497 4.651 24.566 9.415 1.00 0.00 WAT +ATOM 37800 H1 TIP3 10497 4.312 24.136 10.213 1.00 0.00 WAT +ATOM 37801 H2 TIP3 10497 4.268 25.454 9.467 1.00 0.00 WAT +ATOM 37802 OH2 TIP3 10498 5.128 25.760 -2.925 1.00 0.00 WAT +ATOM 37803 H1 TIP3 10498 4.838 26.627 -2.568 1.00 0.00 WAT +ATOM 37804 H2 TIP3 10498 4.382 25.188 -2.698 1.00 0.00 WAT +ATOM 37805 OH2 TIP3 10499 2.345 21.670 11.227 1.00 0.00 WAT +ATOM 37806 H1 TIP3 10499 1.964 21.402 10.373 1.00 0.00 WAT +ATOM 37807 H2 TIP3 10499 3.270 21.371 11.111 1.00 0.00 WAT +ATOM 37808 OH2 TIP3 10500 6.847 27.151 8.869 1.00 0.00 WAT +ATOM 37809 H1 TIP3 10500 5.876 27.147 8.828 1.00 0.00 WAT +ATOM 37810 H2 TIP3 10500 7.004 27.308 9.814 1.00 0.00 WAT +ATOM 37811 OH2 TIP3 10501 12.843 25.203 10.456 1.00 0.00 WAT +ATOM 37812 H1 TIP3 10501 11.891 25.364 10.278 1.00 0.00 WAT +ATOM 37813 H2 TIP3 10501 13.152 24.962 9.561 1.00 0.00 WAT +ATOM 37814 OH2 TIP3 10502 10.575 27.745 -2.217 1.00 0.00 WAT +ATOM 37815 H1 TIP3 10502 10.254 26.967 -1.734 1.00 0.00 WAT +ATOM 37816 H2 TIP3 10502 11.108 27.357 -2.924 1.00 0.00 WAT +ATOM 37817 OH2 TIP3 10503 7.977 22.800 4.912 1.00 0.00 WAT +ATOM 37818 H1 TIP3 10503 7.018 22.696 4.772 1.00 0.00 WAT +ATOM 37819 H2 TIP3 10503 8.294 21.914 4.704 1.00 0.00 WAT +ATOM 37820 OH2 TIP3 10504 0.525 26.879 0.992 1.00 0.00 WAT +ATOM 37821 H1 TIP3 10504 1.004 27.721 1.004 1.00 0.00 WAT +ATOM 37822 H2 TIP3 10504 -0.394 27.157 1.052 1.00 0.00 WAT +ATOM 37823 OH2 TIP3 10505 2.441 29.102 7.165 1.00 0.00 WAT +ATOM 37824 H1 TIP3 10505 3.012 29.837 6.885 1.00 0.00 WAT +ATOM 37825 H2 TIP3 10505 3.053 28.590 7.720 1.00 0.00 WAT +ATOM 37826 OH2 TIP3 10506 0.902 30.001 0.433 1.00 0.00 WAT +ATOM 37827 H1 TIP3 10506 -0.058 30.117 0.502 1.00 0.00 WAT +ATOM 37828 H2 TIP3 10506 1.226 30.893 0.653 1.00 0.00 WAT +ATOM 37829 OH2 TIP3 10507 5.966 24.788 6.715 1.00 0.00 WAT +ATOM 37830 H1 TIP3 10507 5.586 24.556 7.582 1.00 0.00 WAT +ATOM 37831 H2 TIP3 10507 6.683 24.140 6.645 1.00 0.00 WAT +ATOM 37832 OH2 TIP3 10508 7.942 26.144 -4.278 1.00 0.00 WAT +ATOM 37833 H1 TIP3 10508 8.416 25.694 -3.557 1.00 0.00 WAT +ATOM 37834 H2 TIP3 10508 7.028 25.937 -4.026 1.00 0.00 WAT +ATOM 37835 OH2 TIP3 10509 8.801 29.422 9.135 1.00 0.00 WAT +ATOM 37836 H1 TIP3 10509 8.050 28.938 8.736 1.00 0.00 WAT +ATOM 37837 H2 TIP3 10509 8.880 30.201 8.555 1.00 0.00 WAT +ATOM 37838 OH2 TIP3 10510 12.764 30.413 -3.814 1.00 0.00 WAT +ATOM 37839 H1 TIP3 10510 13.462 31.053 -4.035 1.00 0.00 WAT +ATOM 37840 H2 TIP3 10510 11.996 31.013 -3.813 1.00 0.00 WAT +ATOM 37841 OH2 TIP3 10511 9.185 24.825 -1.904 1.00 0.00 WAT +ATOM 37842 H1 TIP3 10511 8.751 24.037 -1.524 1.00 0.00 WAT +ATOM 37843 H2 TIP3 10511 10.119 24.623 -1.700 1.00 0.00 WAT +ATOM 37844 OH2 TIP3 10512 -3.630 28.584 7.193 1.00 0.00 WAT +ATOM 37845 H1 TIP3 10512 -3.345 27.662 7.236 1.00 0.00 WAT +ATOM 37846 H2 TIP3 10512 -3.340 28.910 8.051 1.00 0.00 WAT +ATOM 37847 OH2 TIP3 10513 2.232 27.155 -5.778 1.00 0.00 WAT +ATOM 37848 H1 TIP3 10513 2.498 26.350 -6.260 1.00 0.00 WAT +ATOM 37849 H2 TIP3 10513 1.937 26.776 -4.929 1.00 0.00 WAT +ATOM 37850 OH2 TIP3 10514 1.410 26.545 -3.046 1.00 0.00 WAT +ATOM 37851 H1 TIP3 10514 1.623 26.075 -2.229 1.00 0.00 WAT +ATOM 37852 H2 TIP3 10514 1.317 27.470 -2.744 1.00 0.00 WAT +ATOM 37853 OH2 TIP3 10515 4.095 28.345 -2.423 1.00 0.00 WAT +ATOM 37854 H1 TIP3 10515 3.245 28.789 -2.270 1.00 0.00 WAT +ATOM 37855 H2 TIP3 10515 4.422 28.807 -3.208 1.00 0.00 WAT +ATOM 37856 OH2 TIP3 10516 3.722 18.779 8.850 1.00 0.00 WAT +ATOM 37857 H1 TIP3 10516 3.922 19.522 9.433 1.00 0.00 WAT +ATOM 37858 H2 TIP3 10516 4.491 18.207 8.963 1.00 0.00 WAT +ATOM 37859 OH2 TIP3 10517 1.271 29.348 -2.442 1.00 0.00 WAT +ATOM 37860 H1 TIP3 10517 1.189 30.168 -2.971 1.00 0.00 WAT +ATOM 37861 H2 TIP3 10517 1.119 29.677 -1.538 1.00 0.00 WAT +ATOM 37862 OH2 TIP3 10518 9.828 29.688 5.006 1.00 0.00 WAT +ATOM 37863 H1 TIP3 10518 9.673 30.515 4.512 1.00 0.00 WAT +ATOM 37864 H2 TIP3 10518 10.752 29.811 5.272 1.00 0.00 WAT +ATOM 37865 OH2 TIP3 10519 -3.713 27.903 0.430 1.00 0.00 WAT +ATOM 37866 H1 TIP3 10519 -4.662 27.930 0.235 1.00 0.00 WAT +ATOM 37867 H2 TIP3 10519 -3.346 28.065 -0.448 1.00 0.00 WAT +ATOM 37868 OH2 TIP3 10520 -4.261 30.591 11.426 1.00 0.00 WAT +ATOM 37869 H1 TIP3 10520 -3.676 30.309 12.156 1.00 0.00 WAT +ATOM 37870 H2 TIP3 10520 -4.642 29.737 11.142 1.00 0.00 WAT +ATOM 37871 OH2 TIP3 10521 0.430 29.655 13.213 1.00 0.00 WAT +ATOM 37872 H1 TIP3 10521 1.125 29.011 13.422 1.00 0.00 WAT +ATOM 37873 H2 TIP3 10521 0.206 29.392 12.305 1.00 0.00 WAT +ATOM 37874 OH2 TIP3 10522 4.480 28.885 -5.275 1.00 0.00 WAT +ATOM 37875 H1 TIP3 10522 3.734 28.257 -5.379 1.00 0.00 WAT +ATOM 37876 H2 TIP3 10522 5.204 28.360 -5.653 1.00 0.00 WAT +ATOM 37877 OH2 TIP3 10523 6.893 27.934 11.808 1.00 0.00 WAT +ATOM 37878 H1 TIP3 10523 6.515 27.106 12.156 1.00 0.00 WAT +ATOM 37879 H2 TIP3 10523 7.599 28.125 12.449 1.00 0.00 WAT +ATOM 37880 OH2 TIP3 10524 9.109 28.800 -5.179 1.00 0.00 WAT +ATOM 37881 H1 TIP3 10524 9.270 28.005 -4.645 1.00 0.00 WAT +ATOM 37882 H2 TIP3 10524 9.913 28.839 -5.727 1.00 0.00 WAT +ATOM 37883 OH2 TIP3 10525 -4.305 24.295 12.520 1.00 0.00 WAT +ATOM 37884 H1 TIP3 10525 -4.162 23.355 12.293 1.00 0.00 WAT +ATOM 37885 H2 TIP3 10525 -5.102 24.511 12.003 1.00 0.00 WAT +ATOM 37886 OH2 TIP3 10526 2.313 24.445 11.915 1.00 0.00 WAT +ATOM 37887 H1 TIP3 10526 2.048 24.742 11.029 1.00 0.00 WAT +ATOM 37888 H2 TIP3 10526 2.454 23.483 11.783 1.00 0.00 WAT +ATOM 37889 OH2 TIP3 10527 5.116 25.878 -5.814 1.00 0.00 WAT +ATOM 37890 H1 TIP3 10527 5.044 25.836 -4.846 1.00 0.00 WAT +ATOM 37891 H2 TIP3 10527 4.995 24.937 -6.051 1.00 0.00 WAT +ATOM 37892 OH2 TIP3 10528 7.674 24.049 9.288 1.00 0.00 WAT +ATOM 37893 H1 TIP3 10528 8.460 24.564 9.055 1.00 0.00 WAT +ATOM 37894 H2 TIP3 10528 6.975 24.719 9.258 1.00 0.00 WAT +ATOM 37895 OH2 TIP3 10529 -3.370 21.599 11.963 1.00 0.00 WAT +ATOM 37896 H1 TIP3 10529 -2.661 20.943 11.830 1.00 0.00 WAT +ATOM 37897 H2 TIP3 10529 -3.356 21.681 12.935 1.00 0.00 WAT +ATOM 37898 OH2 TIP3 10530 0.257 20.588 9.045 1.00 0.00 WAT +ATOM 37899 H1 TIP3 10530 -0.323 21.347 9.227 1.00 0.00 WAT +ATOM 37900 H2 TIP3 10530 0.836 20.947 8.350 1.00 0.00 WAT +ATOM 37901 OH2 TIP3 10531 5.519 23.193 12.723 1.00 0.00 WAT +ATOM 37902 H1 TIP3 10531 6.402 22.993 12.381 1.00 0.00 WAT +ATOM 37903 H2 TIP3 10531 5.253 22.331 13.073 1.00 0.00 WAT +ATOM 37904 OH2 TIP3 10532 11.413 23.201 -5.526 1.00 0.00 WAT +ATOM 37905 H1 TIP3 10532 11.218 22.832 -6.398 1.00 0.00 WAT +ATOM 37906 H2 TIP3 10532 11.372 24.157 -5.725 1.00 0.00 WAT +ATOM 37907 OH2 TIP3 10533 0.753 17.911 10.397 1.00 0.00 WAT +ATOM 37908 H1 TIP3 10533 0.577 17.174 9.801 1.00 0.00 WAT +ATOM 37909 H2 TIP3 10533 0.690 18.684 9.805 1.00 0.00 WAT +ATOM 37910 OH2 TIP3 10534 2.943 21.791 8.169 1.00 0.00 WAT +ATOM 37911 H1 TIP3 10534 3.657 21.686 7.530 1.00 0.00 WAT +ATOM 37912 H2 TIP3 10534 2.415 22.497 7.738 1.00 0.00 WAT +ATOM 37913 OH2 TIP3 10535 7.282 19.653 13.010 1.00 0.00 WAT +ATOM 37914 H1 TIP3 10535 7.462 18.703 12.981 1.00 0.00 WAT +ATOM 37915 H2 TIP3 10535 8.168 20.022 12.870 1.00 0.00 WAT +ATOM 37916 OH2 TIP3 10536 8.244 22.285 11.285 1.00 0.00 WAT +ATOM 37917 H1 TIP3 10536 7.876 22.891 10.605 1.00 0.00 WAT +ATOM 37918 H2 TIP3 10536 9.175 22.241 10.981 1.00 0.00 WAT +ATOM 37919 OH2 TIP3 10537 -1.077 19.541 12.032 1.00 0.00 WAT +ATOM 37920 H1 TIP3 10537 -1.682 18.785 12.036 1.00 0.00 WAT +ATOM 37921 H2 TIP3 10537 -0.298 19.184 11.574 1.00 0.00 WAT +ATOM 37922 OH2 TIP3 10538 3.273 18.047 11.849 1.00 0.00 WAT +ATOM 37923 H1 TIP3 10538 2.925 17.878 12.740 1.00 0.00 WAT +ATOM 37924 H2 TIP3 10538 2.455 17.977 11.321 1.00 0.00 WAT +ATOM 37925 OH2 TIP3 10539 5.862 17.312 10.579 1.00 0.00 WAT +ATOM 37926 H1 TIP3 10539 4.999 17.297 11.015 1.00 0.00 WAT +ATOM 37927 H2 TIP3 10539 6.349 16.603 11.028 1.00 0.00 WAT +ATOM 37928 OH2 TIP3 10540 7.490 15.266 12.509 1.00 0.00 WAT +ATOM 37929 H1 TIP3 10540 7.386 14.356 12.812 1.00 0.00 WAT +ATOM 37930 H2 TIP3 10540 7.307 15.788 13.307 1.00 0.00 WAT +ATOM 37931 OH2 TIP3 10541 -2.871 16.944 11.535 1.00 0.00 WAT +ATOM 37932 H1 TIP3 10541 -2.357 16.198 11.206 1.00 0.00 WAT +ATOM 37933 H2 TIP3 10541 -2.957 16.697 12.478 1.00 0.00 WAT +ATOM 37934 OH2 TIP3 10542 2.656 14.993 13.044 1.00 0.00 WAT +ATOM 37935 H1 TIP3 10542 2.678 14.474 12.232 1.00 0.00 WAT +ATOM 37936 H2 TIP3 10542 1.971 15.666 12.882 1.00 0.00 WAT +ATOM 37937 OH2 TIP3 10543 1.716 31.960 -3.743 1.00 0.00 WAT +ATOM 37938 H1 TIP3 10543 2.669 32.073 -3.621 1.00 0.00 WAT +ATOM 37939 H2 TIP3 10543 1.585 32.424 -4.580 1.00 0.00 WAT +ATOM 37940 OH2 TIP3 10544 -4.289 26.609 -4.584 1.00 0.00 WAT +ATOM 37941 H1 TIP3 10544 -3.681 26.508 -3.843 1.00 0.00 WAT +ATOM 37942 H2 TIP3 10544 -4.621 25.703 -4.698 1.00 0.00 WAT +ATOM 37943 OH2 TIP3 10545 -5.518 31.489 0.447 1.00 0.00 WAT +ATOM 37944 H1 TIP3 10545 -6.234 31.037 -0.031 1.00 0.00 WAT +ATOM 37945 H2 TIP3 10545 -5.308 30.834 1.144 1.00 0.00 WAT +ATOM 37946 OH2 TIP3 10546 -5.093 29.644 2.605 1.00 0.00 WAT +ATOM 37947 H1 TIP3 10546 -5.220 28.695 2.708 1.00 0.00 WAT +ATOM 37948 H2 TIP3 10546 -4.610 29.866 3.417 1.00 0.00 WAT +ATOM 37949 OH2 TIP3 10547 12.561 30.859 5.514 1.00 0.00 WAT +ATOM 37950 H1 TIP3 10547 12.707 30.821 6.472 1.00 0.00 WAT +ATOM 37951 H2 TIP3 10547 13.427 31.146 5.195 1.00 0.00 WAT +ATOM 37952 OH2 TIP3 10548 12.468 30.288 8.385 1.00 0.00 WAT +ATOM 37953 H1 TIP3 10548 11.930 29.548 8.043 1.00 0.00 WAT +ATOM 37954 H2 TIP3 10548 12.994 29.819 9.051 1.00 0.00 WAT +ATOM 37955 OH2 TIP3 10549 10.462 25.716 12.689 1.00 0.00 WAT +ATOM 37956 H1 TIP3 10549 9.575 25.775 13.080 1.00 0.00 WAT +ATOM 37957 H2 TIP3 10549 10.904 26.518 13.014 1.00 0.00 WAT +ATOM 37958 OH2 TIP3 10550 11.906 24.181 -1.197 1.00 0.00 WAT +ATOM 37959 H1 TIP3 10550 12.790 24.566 -1.049 1.00 0.00 WAT +ATOM 37960 H2 TIP3 10550 11.891 23.462 -0.552 1.00 0.00 WAT +ATOM 37961 OH2 TIP3 10551 12.048 25.067 5.375 1.00 0.00 WAT +ATOM 37962 H1 TIP3 10551 12.636 24.527 4.819 1.00 0.00 WAT +ATOM 37963 H2 TIP3 10551 12.194 25.962 5.030 1.00 0.00 WAT +ATOM 37964 OH2 TIP3 10552 10.766 28.031 7.598 1.00 0.00 WAT +ATOM 37965 H1 TIP3 10552 10.021 28.383 8.118 1.00 0.00 WAT +ATOM 37966 H2 TIP3 10552 10.307 27.625 6.836 1.00 0.00 WAT +ATOM 37967 OH2 TIP3 10553 12.643 21.943 -3.007 1.00 0.00 WAT +ATOM 37968 H1 TIP3 10553 12.018 22.059 -3.737 1.00 0.00 WAT +ATOM 37969 H2 TIP3 10553 12.404 22.653 -2.401 1.00 0.00 WAT +ATOM 37970 OH2 TIP3 10554 11.313 19.335 -4.877 1.00 0.00 WAT +ATOM 37971 H1 TIP3 10554 10.947 20.010 -5.447 1.00 0.00 WAT +ATOM 37972 H2 TIP3 10554 10.717 18.581 -4.990 1.00 0.00 WAT +ATOM 37973 OH2 TIP3 10555 10.390 20.411 1.769 1.00 0.00 WAT +ATOM 37974 H1 TIP3 10555 10.433 19.849 0.974 1.00 0.00 WAT +ATOM 37975 H2 TIP3 10555 9.612 20.950 1.666 1.00 0.00 WAT +ATOM 37976 OH2 TIP3 10556 10.914 22.646 10.538 1.00 0.00 WAT +ATOM 37977 H1 TIP3 10556 11.599 21.958 10.473 1.00 0.00 WAT +ATOM 37978 H2 TIP3 10556 11.371 23.426 10.197 1.00 0.00 WAT +ATOM 37979 OH2 TIP3 10557 12.470 20.508 11.580 1.00 0.00 WAT +ATOM 37980 H1 TIP3 10557 11.642 20.075 11.282 1.00 0.00 WAT +ATOM 37981 H2 TIP3 10557 13.118 19.817 11.355 1.00 0.00 WAT +ATOM 37982 OH2 TIP3 10558 13.504 14.188 12.811 1.00 0.00 WAT +ATOM 37983 H1 TIP3 10558 13.297 13.243 12.857 1.00 0.00 WAT +ATOM 37984 H2 TIP3 10558 12.886 14.521 12.157 1.00 0.00 WAT +ATOM 37985 OH2 TIP3 10559 9.433 30.943 1.309 1.00 0.00 WAT +ATOM 37986 H1 TIP3 10559 9.902 30.646 0.512 1.00 0.00 WAT +ATOM 37987 H2 TIP3 10559 10.160 31.244 1.866 1.00 0.00 WAT +ATOM 37988 OH2 TIP3 10560 -3.144 27.603 12.034 1.00 0.00 WAT +ATOM 37989 H1 TIP3 10560 -3.881 27.587 11.407 1.00 0.00 WAT +ATOM 37990 H2 TIP3 10560 -3.593 27.549 12.889 1.00 0.00 WAT +ATOM 37991 OH2 TIP3 10561 -0.327 28.583 7.711 1.00 0.00 WAT +ATOM 37992 H1 TIP3 10561 -0.625 29.440 7.359 1.00 0.00 WAT +ATOM 37993 H2 TIP3 10561 0.634 28.664 7.542 1.00 0.00 WAT +ATOM 37994 OH2 TIP3 10562 4.181 29.916 10.741 1.00 0.00 WAT +ATOM 37995 H1 TIP3 10562 4.342 29.714 11.676 1.00 0.00 WAT +ATOM 37996 H2 TIP3 10562 5.025 30.335 10.480 1.00 0.00 WAT +ATOM 37997 OH2 TIP3 10563 6.489 31.362 9.961 1.00 0.00 WAT +ATOM 37998 H1 TIP3 10563 7.164 30.704 9.732 1.00 0.00 WAT +ATOM 37999 H2 TIP3 10563 6.792 31.649 10.844 1.00 0.00 WAT +ATOM 38000 OH2 TIP3 10564 -2.931 31.549 8.053 1.00 0.00 WAT +ATOM 38001 H1 TIP3 10564 -3.541 32.159 7.602 1.00 0.00 WAT +ATOM 38002 H2 TIP3 10564 -3.283 31.574 8.950 1.00 0.00 WAT +ATOM 38003 OH2 TIP3 10565 -0.441 31.319 6.609 1.00 0.00 WAT +ATOM 38004 H1 TIP3 10565 -1.303 31.488 7.039 1.00 0.00 WAT +ATOM 38005 H2 TIP3 10565 -0.419 32.004 5.917 1.00 0.00 WAT +ATOM 38006 OH2 TIP3 10566 4.296 31.312 6.161 1.00 0.00 WAT +ATOM 38007 H1 TIP3 10566 3.914 31.757 5.384 1.00 0.00 WAT +ATOM 38008 H2 TIP3 10566 4.381 32.053 6.789 1.00 0.00 WAT +ATOM 38009 OH2 TIP3 10567 6.636 30.039 7.083 1.00 0.00 WAT +ATOM 38010 H1 TIP3 10567 5.788 30.379 6.744 1.00 0.00 WAT +ATOM 38011 H2 TIP3 10567 7.189 30.831 7.061 1.00 0.00 WAT +ATOM 38012 OH2 TIP3 10568 9.177 31.760 7.274 1.00 0.00 WAT +ATOM 38013 H1 TIP3 10568 9.125 32.708 7.044 1.00 0.00 WAT +ATOM 38014 H2 TIP3 10568 9.440 31.381 6.419 1.00 0.00 WAT +ATOM 38015 OH2 TIP3 10569 -3.386 30.306 4.960 1.00 0.00 WAT +ATOM 38016 H1 TIP3 10569 -3.456 29.795 5.798 1.00 0.00 WAT +ATOM 38017 H2 TIP3 10569 -2.612 29.869 4.552 1.00 0.00 WAT +ATOM 38018 OH2 TIP3 10570 -1.345 28.985 3.444 1.00 0.00 WAT +ATOM 38019 H1 TIP3 10570 -1.490 28.056 3.713 1.00 0.00 WAT +ATOM 38020 H2 TIP3 10570 -0.437 29.150 3.762 1.00 0.00 WAT +ATOM 38021 OH2 TIP3 10571 1.425 29.566 4.324 1.00 0.00 WAT +ATOM 38022 H1 TIP3 10571 1.623 28.642 4.095 1.00 0.00 WAT +ATOM 38023 H2 TIP3 10571 1.486 29.527 5.292 1.00 0.00 WAT +ATOM 38024 OH2 TIP3 10572 -3.809 29.582 -1.902 1.00 0.00 WAT +ATOM 38025 H1 TIP3 10572 -4.567 29.391 -2.472 1.00 0.00 WAT +ATOM 38026 H2 TIP3 10572 -3.945 30.522 -1.716 1.00 0.00 WAT +ATOM 38027 OH2 TIP3 10573 4.765 31.447 -3.667 1.00 0.00 WAT +ATOM 38028 H1 TIP3 10573 5.740 31.445 -3.705 1.00 0.00 WAT +ATOM 38029 H2 TIP3 10573 4.563 30.775 -4.338 1.00 0.00 WAT +ATOM 38030 OH2 TIP3 10574 11.262 30.461 -1.073 1.00 0.00 WAT +ATOM 38031 H1 TIP3 10574 11.042 29.606 -1.500 1.00 0.00 WAT +ATOM 38032 H2 TIP3 10574 11.237 31.062 -1.834 1.00 0.00 WAT +ATOM 38033 OH2 TIP3 10575 -0.937 13.782 12.520 1.00 0.00 WAT +ATOM 38034 H1 TIP3 10575 -0.192 13.344 12.098 1.00 0.00 WAT +ATOM 38035 H2 TIP3 10575 -1.414 13.040 12.919 1.00 0.00 WAT +ATOM 38036 OH2 TIP3 10576 -2.437 30.593 -4.979 1.00 0.00 WAT +ATOM 38037 H1 TIP3 10576 -2.742 30.781 -4.078 1.00 0.00 WAT +ATOM 38038 H2 TIP3 10576 -1.646 30.051 -4.822 1.00 0.00 WAT +ATOM 38039 OH2 TIP3 10577 10.775 29.238 11.300 1.00 0.00 WAT +ATOM 38040 H1 TIP3 10577 10.039 29.025 10.697 1.00 0.00 WAT +ATOM 38041 H2 TIP3 10577 10.576 30.170 11.507 1.00 0.00 WAT +ATOM 38042 OH2 TIP3 10578 24.969 22.942 1.480 1.00 0.00 WAT +ATOM 38043 H1 TIP3 10578 24.949 23.912 1.465 1.00 0.00 WAT +ATOM 38044 H2 TIP3 10578 24.270 22.712 0.853 1.00 0.00 WAT +ATOM 38045 OH2 TIP3 10579 23.682 22.408 4.528 1.00 0.00 WAT +ATOM 38046 H1 TIP3 10579 23.763 21.813 5.291 1.00 0.00 WAT +ATOM 38047 H2 TIP3 10579 23.575 21.765 3.809 1.00 0.00 WAT +ATOM 38048 OH2 TIP3 10580 16.246 21.960 6.205 1.00 0.00 WAT +ATOM 38049 H1 TIP3 10580 16.247 21.169 6.769 1.00 0.00 WAT +ATOM 38050 H2 TIP3 10580 17.016 22.435 6.550 1.00 0.00 WAT +ATOM 38051 OH2 TIP3 10581 27.489 25.096 2.831 1.00 0.00 WAT +ATOM 38052 H1 TIP3 10581 27.122 24.364 3.349 1.00 0.00 WAT +ATOM 38053 H2 TIP3 10581 27.789 25.689 3.534 1.00 0.00 WAT +ATOM 38054 OH2 TIP3 10582 17.247 26.493 4.532 1.00 0.00 WAT +ATOM 38055 H1 TIP3 10582 16.818 25.644 4.282 1.00 0.00 WAT +ATOM 38056 H2 TIP3 10582 17.879 26.155 5.179 1.00 0.00 WAT +ATOM 38057 OH2 TIP3 10583 14.676 22.398 2.176 1.00 0.00 WAT +ATOM 38058 H1 TIP3 10583 14.541 21.455 2.302 1.00 0.00 WAT +ATOM 38059 H2 TIP3 10583 15.303 22.404 1.447 1.00 0.00 WAT +ATOM 38060 OH2 TIP3 10584 24.525 30.416 3.388 1.00 0.00 WAT +ATOM 38061 H1 TIP3 10584 25.138 29.724 3.082 1.00 0.00 WAT +ATOM 38062 H2 TIP3 10584 24.309 30.110 4.278 1.00 0.00 WAT +ATOM 38063 OH2 TIP3 10585 22.195 24.947 4.900 1.00 0.00 WAT +ATOM 38064 H1 TIP3 10585 22.530 24.126 4.499 1.00 0.00 WAT +ATOM 38065 H2 TIP3 10585 22.952 25.160 5.470 1.00 0.00 WAT +ATOM 38066 OH2 TIP3 10586 30.976 16.350 5.757 1.00 0.00 WAT +ATOM 38067 H1 TIP3 10586 31.200 16.982 6.459 1.00 0.00 WAT +ATOM 38068 H2 TIP3 10586 31.543 16.670 5.033 1.00 0.00 WAT +ATOM 38069 OH2 TIP3 10587 25.757 19.078 5.614 1.00 0.00 WAT +ATOM 38070 H1 TIP3 10587 25.407 18.172 5.712 1.00 0.00 WAT +ATOM 38071 H2 TIP3 10587 25.531 19.224 4.680 1.00 0.00 WAT +ATOM 38072 OH2 TIP3 10588 26.593 17.342 0.891 1.00 0.00 WAT +ATOM 38073 H1 TIP3 10588 27.022 17.017 1.708 1.00 0.00 WAT +ATOM 38074 H2 TIP3 10588 27.281 17.889 0.504 1.00 0.00 WAT +ATOM 38075 OH2 TIP3 10589 16.109 19.848 3.477 1.00 0.00 WAT +ATOM 38076 H1 TIP3 10589 16.442 19.167 4.071 1.00 0.00 WAT +ATOM 38077 H2 TIP3 10589 15.714 19.363 2.751 1.00 0.00 WAT +ATOM 38078 OH2 TIP3 10590 20.670 21.353 2.670 1.00 0.00 WAT +ATOM 38079 H1 TIP3 10590 21.383 20.807 3.058 1.00 0.00 WAT +ATOM 38080 H2 TIP3 10590 20.168 20.671 2.184 1.00 0.00 WAT +ATOM 38081 OH2 TIP3 10591 31.722 17.770 8.214 1.00 0.00 WAT +ATOM 38082 H1 TIP3 10591 31.117 18.473 7.913 1.00 0.00 WAT +ATOM 38083 H2 TIP3 10591 31.444 17.686 9.136 1.00 0.00 WAT +ATOM 38084 OH2 TIP3 10592 24.688 25.665 0.246 1.00 0.00 WAT +ATOM 38085 H1 TIP3 10592 24.691 25.540 -0.710 1.00 0.00 WAT +ATOM 38086 H2 TIP3 10592 24.454 26.601 0.343 1.00 0.00 WAT +ATOM 38087 OH2 TIP3 10593 20.362 23.891 6.983 1.00 0.00 WAT +ATOM 38088 H1 TIP3 10593 19.577 24.427 7.217 1.00 0.00 WAT +ATOM 38089 H2 TIP3 10593 20.917 24.530 6.506 1.00 0.00 WAT +ATOM 38090 OH2 TIP3 10594 28.342 16.595 3.057 1.00 0.00 WAT +ATOM 38091 H1 TIP3 10594 27.857 15.965 3.605 1.00 0.00 WAT +ATOM 38092 H2 TIP3 10594 28.722 17.213 3.705 1.00 0.00 WAT +ATOM 38093 OH2 TIP3 10595 18.270 25.769 7.556 1.00 0.00 WAT +ATOM 38094 H1 TIP3 10595 18.228 26.742 7.467 1.00 0.00 WAT +ATOM 38095 H2 TIP3 10595 17.447 25.602 8.056 1.00 0.00 WAT +ATOM 38096 OH2 TIP3 10596 14.567 25.424 -1.458 1.00 0.00 WAT +ATOM 38097 H1 TIP3 10596 14.313 25.901 -2.266 1.00 0.00 WAT +ATOM 38098 H2 TIP3 10596 14.705 26.142 -0.808 1.00 0.00 WAT +ATOM 38099 OH2 TIP3 10597 28.063 26.894 5.322 1.00 0.00 WAT +ATOM 38100 H1 TIP3 10597 27.094 27.008 5.351 1.00 0.00 WAT +ATOM 38101 H2 TIP3 10597 28.338 27.756 4.962 1.00 0.00 WAT +ATOM 38102 OH2 TIP3 10598 28.242 15.801 6.792 1.00 0.00 WAT +ATOM 38103 H1 TIP3 10598 27.531 16.379 6.481 1.00 0.00 WAT +ATOM 38104 H2 TIP3 10598 28.954 15.966 6.148 1.00 0.00 WAT +ATOM 38105 OH2 TIP3 10599 21.150 13.308 3.547 1.00 0.00 WAT +ATOM 38106 H1 TIP3 10599 21.297 12.499 4.039 1.00 0.00 WAT +ATOM 38107 H2 TIP3 10599 20.683 13.887 4.163 1.00 0.00 WAT +ATOM 38108 OH2 TIP3 10600 26.333 28.832 1.831 1.00 0.00 WAT +ATOM 38109 H1 TIP3 10600 26.848 28.037 1.576 1.00 0.00 WAT +ATOM 38110 H2 TIP3 10600 27.032 29.516 1.794 1.00 0.00 WAT +ATOM 38111 OH2 TIP3 10601 27.754 26.712 0.544 1.00 0.00 WAT +ATOM 38112 H1 TIP3 10601 27.402 26.202 -0.198 1.00 0.00 WAT +ATOM 38113 H2 TIP3 10601 27.746 26.047 1.263 1.00 0.00 WAT +ATOM 38114 OH2 TIP3 10602 29.367 25.524 9.004 1.00 0.00 WAT +ATOM 38115 H1 TIP3 10602 29.242 24.870 8.291 1.00 0.00 WAT +ATOM 38116 H2 TIP3 10602 29.476 26.353 8.502 1.00 0.00 WAT +ATOM 38117 OH2 TIP3 10603 23.551 22.619 -1.323 1.00 0.00 WAT +ATOM 38118 H1 TIP3 10603 22.886 22.846 -1.983 1.00 0.00 WAT +ATOM 38119 H2 TIP3 10603 24.341 22.482 -1.876 1.00 0.00 WAT +ATOM 38120 OH2 TIP3 10604 23.915 20.603 -4.242 1.00 0.00 WAT +ATOM 38121 H1 TIP3 10604 24.620 20.906 -3.641 1.00 0.00 WAT +ATOM 38122 H2 TIP3 10604 24.433 20.050 -4.846 1.00 0.00 WAT +ATOM 38123 OH2 TIP3 10605 31.124 21.703 6.947 1.00 0.00 WAT +ATOM 38124 H1 TIP3 10605 30.385 22.338 7.028 1.00 0.00 WAT +ATOM 38125 H2 TIP3 10605 31.585 22.055 6.160 1.00 0.00 WAT +ATOM 38126 OH2 TIP3 10606 27.132 22.441 -0.202 1.00 0.00 WAT +ATOM 38127 H1 TIP3 10606 26.442 22.612 0.478 1.00 0.00 WAT +ATOM 38128 H2 TIP3 10606 27.711 21.833 0.293 1.00 0.00 WAT +ATOM 38129 OH2 TIP3 10607 26.983 20.985 8.611 1.00 0.00 WAT +ATOM 38130 H1 TIP3 10607 26.994 21.818 9.111 1.00 0.00 WAT +ATOM 38131 H2 TIP3 10607 26.305 21.215 7.949 1.00 0.00 WAT +ATOM 38132 OH2 TIP3 10608 19.063 23.599 1.460 1.00 0.00 WAT +ATOM 38133 H1 TIP3 10608 18.545 23.110 0.793 1.00 0.00 WAT +ATOM 38134 H2 TIP3 10608 19.559 22.868 1.875 1.00 0.00 WAT +ATOM 38135 OH2 TIP3 10609 19.261 22.064 5.035 1.00 0.00 WAT +ATOM 38136 H1 TIP3 10609 19.889 21.979 4.295 1.00 0.00 WAT +ATOM 38137 H2 TIP3 10609 19.746 22.606 5.680 1.00 0.00 WAT +ATOM 38138 OH2 TIP3 10610 25.216 27.522 5.615 1.00 0.00 WAT +ATOM 38139 H1 TIP3 10610 25.278 28.180 6.329 1.00 0.00 WAT +ATOM 38140 H2 TIP3 10610 25.027 26.693 6.092 1.00 0.00 WAT +ATOM 38141 OH2 TIP3 10611 20.162 26.348 9.864 1.00 0.00 WAT +ATOM 38142 H1 TIP3 10611 19.646 26.978 10.398 1.00 0.00 WAT +ATOM 38143 H2 TIP3 10611 19.497 26.045 9.223 1.00 0.00 WAT +ATOM 38144 OH2 TIP3 10612 26.046 21.898 -2.756 1.00 0.00 WAT +ATOM 38145 H1 TIP3 10612 26.545 22.138 -1.948 1.00 0.00 WAT +ATOM 38146 H2 TIP3 10612 26.558 22.383 -3.449 1.00 0.00 WAT +ATOM 38147 OH2 TIP3 10613 17.077 22.800 8.965 1.00 0.00 WAT +ATOM 38148 H1 TIP3 10613 17.097 23.267 9.817 1.00 0.00 WAT +ATOM 38149 H2 TIP3 10613 16.131 22.586 8.884 1.00 0.00 WAT +ATOM 38150 OH2 TIP3 10614 23.316 28.436 0.955 1.00 0.00 WAT +ATOM 38151 H1 TIP3 10614 24.037 28.735 1.530 1.00 0.00 WAT +ATOM 38152 H2 TIP3 10614 23.064 29.257 0.499 1.00 0.00 WAT +ATOM 38153 OH2 TIP3 10615 18.239 28.517 10.705 1.00 0.00 WAT +ATOM 38154 H1 TIP3 10615 18.109 28.513 9.743 1.00 0.00 WAT +ATOM 38155 H2 TIP3 10615 17.366 28.240 11.047 1.00 0.00 WAT +ATOM 38156 OH2 TIP3 10616 29.273 13.675 -3.352 1.00 0.00 WAT +ATOM 38157 H1 TIP3 10616 28.596 13.685 -2.667 1.00 0.00 WAT +ATOM 38158 H2 TIP3 10616 29.788 14.464 -3.145 1.00 0.00 WAT +ATOM 38159 OH2 TIP3 10617 17.657 21.941 -0.783 1.00 0.00 WAT +ATOM 38160 H1 TIP3 10617 17.421 22.612 -1.443 1.00 0.00 WAT +ATOM 38161 H2 TIP3 10617 17.071 21.208 -1.024 1.00 0.00 WAT +ATOM 38162 OH2 TIP3 10618 30.884 27.736 -4.672 1.00 0.00 WAT +ATOM 38163 H1 TIP3 10618 31.055 28.683 -4.496 1.00 0.00 WAT +ATOM 38164 H2 TIP3 10618 31.767 27.346 -4.526 1.00 0.00 WAT +ATOM 38165 OH2 TIP3 10619 13.717 24.597 7.784 1.00 0.00 WAT +ATOM 38166 H1 TIP3 10619 13.229 24.567 6.937 1.00 0.00 WAT +ATOM 38167 H2 TIP3 10619 13.835 23.642 7.960 1.00 0.00 WAT +ATOM 38168 OH2 TIP3 10620 13.752 27.596 4.714 1.00 0.00 WAT +ATOM 38169 H1 TIP3 10620 14.636 27.229 4.838 1.00 0.00 WAT +ATOM 38170 H2 TIP3 10620 13.656 28.143 5.505 1.00 0.00 WAT +ATOM 38171 OH2 TIP3 10621 32.145 28.146 10.524 1.00 0.00 WAT +ATOM 38172 H1 TIP3 10621 32.034 27.197 10.333 1.00 0.00 WAT +ATOM 38173 H2 TIP3 10621 31.234 28.383 10.805 1.00 0.00 WAT +ATOM 38174 OH2 TIP3 10622 22.782 27.390 9.301 1.00 0.00 WAT +ATOM 38175 H1 TIP3 10622 22.868 28.196 9.849 1.00 0.00 WAT +ATOM 38176 H2 TIP3 10622 21.891 27.072 9.555 1.00 0.00 WAT +ATOM 38177 OH2 TIP3 10623 23.085 31.155 -0.698 1.00 0.00 WAT +ATOM 38178 H1 TIP3 10623 23.084 31.257 -1.668 1.00 0.00 WAT +ATOM 38179 H2 TIP3 10623 23.110 32.077 -0.392 1.00 0.00 WAT +ATOM 38180 OH2 TIP3 10624 16.849 30.343 0.893 1.00 0.00 WAT +ATOM 38181 H1 TIP3 10624 17.017 29.858 1.726 1.00 0.00 WAT +ATOM 38182 H2 TIP3 10624 16.027 29.927 0.597 1.00 0.00 WAT +ATOM 38183 OH2 TIP3 10625 26.386 30.611 -3.526 1.00 0.00 WAT +ATOM 38184 H1 TIP3 10625 26.969 29.973 -3.984 1.00 0.00 WAT +ATOM 38185 H2 TIP3 10625 26.337 30.217 -2.632 1.00 0.00 WAT +ATOM 38186 OH2 TIP3 10626 25.772 30.012 -0.751 1.00 0.00 WAT +ATOM 38187 H1 TIP3 10626 24.833 30.196 -0.581 1.00 0.00 WAT +ATOM 38188 H2 TIP3 10626 25.975 29.363 -0.054 1.00 0.00 WAT +ATOM 38189 OH2 TIP3 10627 28.958 19.514 10.912 1.00 0.00 WAT +ATOM 38190 H1 TIP3 10627 28.382 19.892 10.230 1.00 0.00 WAT +ATOM 38191 H2 TIP3 10627 28.950 18.573 10.659 1.00 0.00 WAT +ATOM 38192 OH2 TIP3 10628 15.893 26.163 9.040 1.00 0.00 WAT +ATOM 38193 H1 TIP3 10628 16.169 25.703 9.861 1.00 0.00 WAT +ATOM 38194 H2 TIP3 10628 15.163 25.600 8.721 1.00 0.00 WAT +ATOM 38195 OH2 TIP3 10629 18.686 14.712 4.740 1.00 0.00 WAT +ATOM 38196 H1 TIP3 10629 17.800 14.388 4.565 1.00 0.00 WAT +ATOM 38197 H2 TIP3 10629 18.560 15.368 5.434 1.00 0.00 WAT +ATOM 38198 OH2 TIP3 10630 23.513 14.204 8.541 1.00 0.00 WAT +ATOM 38199 H1 TIP3 10630 23.937 13.533 9.114 1.00 0.00 WAT +ATOM 38200 H2 TIP3 10630 22.571 13.957 8.560 1.00 0.00 WAT +ATOM 38201 OH2 TIP3 10631 26.744 18.045 9.134 1.00 0.00 WAT +ATOM 38202 H1 TIP3 10631 25.989 17.826 9.717 1.00 0.00 WAT +ATOM 38203 H2 TIP3 10631 26.518 18.938 8.827 1.00 0.00 WAT +ATOM 38204 OH2 TIP3 10632 27.636 22.938 -4.790 1.00 0.00 WAT +ATOM 38205 H1 TIP3 10632 27.489 22.750 -5.738 1.00 0.00 WAT +ATOM 38206 H2 TIP3 10632 28.571 23.197 -4.830 1.00 0.00 WAT +ATOM 38207 OH2 TIP3 10633 22.851 16.507 -4.603 1.00 0.00 WAT +ATOM 38208 H1 TIP3 10633 22.661 16.646 -3.662 1.00 0.00 WAT +ATOM 38209 H2 TIP3 10633 22.775 15.550 -4.658 1.00 0.00 WAT +ATOM 38210 OH2 TIP3 10634 18.661 19.053 6.072 1.00 0.00 WAT +ATOM 38211 H1 TIP3 10634 18.025 19.229 6.787 1.00 0.00 WAT +ATOM 38212 H2 TIP3 10634 18.698 19.912 5.620 1.00 0.00 WAT +ATOM 38213 OH2 TIP3 10635 19.032 19.357 1.131 1.00 0.00 WAT +ATOM 38214 H1 TIP3 10635 18.074 19.435 0.983 1.00 0.00 WAT +ATOM 38215 H2 TIP3 10635 19.345 19.182 0.222 1.00 0.00 WAT +ATOM 38216 OH2 TIP3 10636 24.597 20.166 -0.082 1.00 0.00 WAT +ATOM 38217 H1 TIP3 10636 24.033 20.824 -0.518 1.00 0.00 WAT +ATOM 38218 H2 TIP3 10636 25.135 19.821 -0.810 1.00 0.00 WAT +ATOM 38219 OH2 TIP3 10637 23.679 20.272 11.248 1.00 0.00 WAT +ATOM 38220 H1 TIP3 10637 23.172 19.498 11.570 1.00 0.00 WAT +ATOM 38221 H2 TIP3 10637 24.558 20.107 11.635 1.00 0.00 WAT +ATOM 38222 OH2 TIP3 10638 25.489 19.657 2.636 1.00 0.00 WAT +ATOM 38223 H1 TIP3 10638 25.093 20.042 1.828 1.00 0.00 WAT +ATOM 38224 H2 TIP3 10638 25.371 18.705 2.449 1.00 0.00 WAT +ATOM 38225 OH2 TIP3 10639 16.292 19.389 8.052 1.00 0.00 WAT +ATOM 38226 H1 TIP3 10639 16.429 19.666 8.966 1.00 0.00 WAT +ATOM 38227 H2 TIP3 10639 15.643 18.672 8.138 1.00 0.00 WAT +ATOM 38228 OH2 TIP3 10640 14.296 17.422 -2.595 1.00 0.00 WAT +ATOM 38229 H1 TIP3 10640 14.993 17.953 -2.991 1.00 0.00 WAT +ATOM 38230 H2 TIP3 10640 13.754 18.064 -2.108 1.00 0.00 WAT +ATOM 38231 OH2 TIP3 10641 24.516 21.086 7.102 1.00 0.00 WAT +ATOM 38232 H1 TIP3 10641 24.936 20.351 6.601 1.00 0.00 WAT +ATOM 38233 H2 TIP3 10641 24.114 20.603 7.840 1.00 0.00 WAT +ATOM 38234 OH2 TIP3 10642 21.103 16.852 2.170 1.00 0.00 WAT +ATOM 38235 H1 TIP3 10642 20.603 17.287 2.866 1.00 0.00 WAT +ATOM 38236 H2 TIP3 10642 21.945 16.674 2.654 1.00 0.00 WAT +ATOM 38237 OH2 TIP3 10643 16.292 18.540 0.420 1.00 0.00 WAT +ATOM 38238 H1 TIP3 10643 15.442 19.024 0.231 1.00 0.00 WAT +ATOM 38239 H2 TIP3 10643 16.044 17.689 0.052 1.00 0.00 WAT +ATOM 38240 OH2 TIP3 10644 19.741 18.492 -1.423 1.00 0.00 WAT +ATOM 38241 H1 TIP3 10644 20.711 18.614 -1.372 1.00 0.00 WAT +ATOM 38242 H2 TIP3 10644 19.477 19.026 -2.198 1.00 0.00 WAT +ATOM 38243 OH2 TIP3 10645 18.431 19.932 -3.691 1.00 0.00 WAT +ATOM 38244 H1 TIP3 10645 17.741 19.603 -4.296 1.00 0.00 WAT +ATOM 38245 H2 TIP3 10645 19.161 20.111 -4.307 1.00 0.00 WAT +ATOM 38246 OH2 TIP3 10646 29.056 32.000 11.822 1.00 0.00 WAT +ATOM 38247 H1 TIP3 10646 29.274 32.453 10.990 1.00 0.00 WAT +ATOM 38248 H2 TIP3 10646 29.760 32.315 12.412 1.00 0.00 WAT +ATOM 38249 OH2 TIP3 10647 16.972 24.671 11.258 1.00 0.00 WAT +ATOM 38250 H1 TIP3 10647 17.640 24.715 11.975 1.00 0.00 WAT +ATOM 38251 H2 TIP3 10647 16.161 24.588 11.797 1.00 0.00 WAT +ATOM 38252 OH2 TIP3 10648 22.672 19.587 4.009 1.00 0.00 WAT +ATOM 38253 H1 TIP3 10648 23.303 18.991 3.555 1.00 0.00 WAT +ATOM 38254 H2 TIP3 10648 22.449 18.960 4.723 1.00 0.00 WAT +ATOM 38255 OH2 TIP3 10649 21.393 18.081 6.354 1.00 0.00 WAT +ATOM 38256 H1 TIP3 10649 20.655 18.709 6.353 1.00 0.00 WAT +ATOM 38257 H2 TIP3 10649 21.974 18.397 7.073 1.00 0.00 WAT +ATOM 38258 OH2 TIP3 10650 21.388 24.698 -1.496 1.00 0.00 WAT +ATOM 38259 H1 TIP3 10650 20.871 24.066 -2.044 1.00 0.00 WAT +ATOM 38260 H2 TIP3 10650 21.712 24.123 -0.789 1.00 0.00 WAT +ATOM 38261 OH2 TIP3 10651 29.017 23.637 6.843 1.00 0.00 WAT +ATOM 38262 H1 TIP3 10651 29.503 24.180 6.186 1.00 0.00 WAT +ATOM 38263 H2 TIP3 10651 28.158 23.512 6.392 1.00 0.00 WAT +ATOM 38264 OH2 TIP3 10652 25.886 17.249 -4.237 1.00 0.00 WAT +ATOM 38265 H1 TIP3 10652 24.921 17.229 -4.140 1.00 0.00 WAT +ATOM 38266 H2 TIP3 10652 26.137 17.949 -3.597 1.00 0.00 WAT +ATOM 38267 OH2 TIP3 10653 23.439 24.495 9.427 1.00 0.00 WAT +ATOM 38268 H1 TIP3 10653 23.137 24.143 10.277 1.00 0.00 WAT +ATOM 38269 H2 TIP3 10653 23.120 25.408 9.450 1.00 0.00 WAT +ATOM 38270 OH2 TIP3 10654 26.703 19.101 -2.234 1.00 0.00 WAT +ATOM 38271 H1 TIP3 10654 27.531 18.975 -1.735 1.00 0.00 WAT +ATOM 38272 H2 TIP3 10654 26.781 20.012 -2.560 1.00 0.00 WAT +ATOM 38273 OH2 TIP3 10655 17.000 23.803 3.840 1.00 0.00 WAT +ATOM 38274 H1 TIP3 10655 17.577 23.606 3.092 1.00 0.00 WAT +ATOM 38275 H2 TIP3 10655 16.944 22.931 4.271 1.00 0.00 WAT +ATOM 38276 OH2 TIP3 10656 24.194 25.835 -2.917 1.00 0.00 WAT +ATOM 38277 H1 TIP3 10656 23.892 26.706 -2.589 1.00 0.00 WAT +ATOM 38278 H2 TIP3 10656 23.446 25.272 -2.680 1.00 0.00 WAT +ATOM 38279 OH2 TIP3 10657 14.182 22.137 9.184 1.00 0.00 WAT +ATOM 38280 H1 TIP3 10657 14.285 21.623 10.006 1.00 0.00 WAT +ATOM 38281 H2 TIP3 10657 13.535 21.614 8.662 1.00 0.00 WAT +ATOM 38282 OH2 TIP3 10658 21.133 21.643 11.107 1.00 0.00 WAT +ATOM 38283 H1 TIP3 10658 20.853 21.392 10.209 1.00 0.00 WAT +ATOM 38284 H2 TIP3 10658 22.055 21.329 11.090 1.00 0.00 WAT +ATOM 38285 OH2 TIP3 10659 25.701 27.108 8.886 1.00 0.00 WAT +ATOM 38286 H1 TIP3 10659 24.731 27.152 8.837 1.00 0.00 WAT +ATOM 38287 H2 TIP3 10659 25.862 27.317 9.820 1.00 0.00 WAT +ATOM 38288 OH2 TIP3 10660 31.665 19.019 -2.641 1.00 0.00 WAT +ATOM 38289 H1 TIP3 10660 30.912 18.829 -3.236 1.00 0.00 WAT +ATOM 38290 H2 TIP3 10660 31.541 19.986 -2.558 1.00 0.00 WAT +ATOM 38291 OH2 TIP3 10661 31.682 25.168 10.474 1.00 0.00 WAT +ATOM 38292 H1 TIP3 10661 30.742 25.378 10.285 1.00 0.00 WAT +ATOM 38293 H2 TIP3 10661 32.009 24.984 9.572 1.00 0.00 WAT +ATOM 38294 OH2 TIP3 10662 29.399 27.721 -2.233 1.00 0.00 WAT +ATOM 38295 H1 TIP3 10662 29.255 26.918 -1.714 1.00 0.00 WAT +ATOM 38296 H2 TIP3 10662 29.956 27.414 -2.965 1.00 0.00 WAT +ATOM 38297 OH2 TIP3 10663 26.674 23.078 5.135 1.00 0.00 WAT +ATOM 38298 H1 TIP3 10663 25.742 22.901 4.913 1.00 0.00 WAT +ATOM 38299 H2 TIP3 10663 27.114 22.343 4.661 1.00 0.00 WAT +ATOM 38300 OH2 TIP3 10664 15.272 22.038 -4.185 1.00 0.00 WAT +ATOM 38301 H1 TIP3 10664 15.808 22.711 -3.734 1.00 0.00 WAT +ATOM 38302 H2 TIP3 10664 14.383 22.184 -3.797 1.00 0.00 WAT +ATOM 38303 OH2 TIP3 10665 21.316 29.101 7.130 1.00 0.00 WAT +ATOM 38304 H1 TIP3 10665 21.880 29.867 6.923 1.00 0.00 WAT +ATOM 38305 H2 TIP3 10665 21.895 28.604 7.734 1.00 0.00 WAT +ATOM 38306 OH2 TIP3 10666 19.791 29.689 0.602 1.00 0.00 WAT +ATOM 38307 H1 TIP3 10666 18.844 29.900 0.557 1.00 0.00 WAT +ATOM 38308 H2 TIP3 10666 20.172 30.573 0.748 1.00 0.00 WAT +ATOM 38309 OH2 TIP3 10667 24.700 24.880 6.726 1.00 0.00 WAT +ATOM 38310 H1 TIP3 10667 24.393 24.571 7.598 1.00 0.00 WAT +ATOM 38311 H2 TIP3 10667 25.400 24.238 6.524 1.00 0.00 WAT +ATOM 38312 OH2 TIP3 10668 26.859 26.154 -4.330 1.00 0.00 WAT +ATOM 38313 H1 TIP3 10668 27.301 25.718 -3.581 1.00 0.00 WAT +ATOM 38314 H2 TIP3 10668 25.935 25.996 -4.075 1.00 0.00 WAT +ATOM 38315 OH2 TIP3 10669 27.662 29.418 9.125 1.00 0.00 WAT +ATOM 38316 H1 TIP3 10669 26.902 28.955 8.719 1.00 0.00 WAT +ATOM 38317 H2 TIP3 10669 27.750 30.211 8.564 1.00 0.00 WAT +ATOM 38318 OH2 TIP3 10670 31.611 30.419 -3.796 1.00 0.00 WAT +ATOM 38319 H1 TIP3 10670 32.317 31.041 -4.042 1.00 0.00 WAT +ATOM 38320 H2 TIP3 10670 30.850 31.027 -3.834 1.00 0.00 WAT +ATOM 38321 OH2 TIP3 10671 27.838 24.791 -1.905 1.00 0.00 WAT +ATOM 38322 H1 TIP3 10671 27.590 24.024 -1.360 1.00 0.00 WAT +ATOM 38323 H2 TIP3 10671 28.811 24.736 -1.888 1.00 0.00 WAT +ATOM 38324 OH2 TIP3 10672 15.321 28.515 7.202 1.00 0.00 WAT +ATOM 38325 H1 TIP3 10672 15.524 27.602 7.458 1.00 0.00 WAT +ATOM 38326 H2 TIP3 10672 15.456 28.962 8.047 1.00 0.00 WAT +ATOM 38327 OH2 TIP3 10673 21.125 27.214 -5.779 1.00 0.00 WAT +ATOM 38328 H1 TIP3 10673 21.400 26.427 -6.284 1.00 0.00 WAT +ATOM 38329 H2 TIP3 10673 20.685 26.805 -5.013 1.00 0.00 WAT +ATOM 38330 OH2 TIP3 10674 20.024 26.727 -3.091 1.00 0.00 WAT +ATOM 38331 H1 TIP3 10674 20.485 26.170 -2.441 1.00 0.00 WAT +ATOM 38332 H2 TIP3 10674 20.157 27.634 -2.746 1.00 0.00 WAT +ATOM 38333 OH2 TIP3 10675 16.821 24.176 -2.624 1.00 0.00 WAT +ATOM 38334 H1 TIP3 10675 16.059 24.526 -2.122 1.00 0.00 WAT +ATOM 38335 H2 TIP3 10675 17.225 24.998 -2.947 1.00 0.00 WAT +ATOM 38336 OH2 TIP3 10676 24.444 16.939 7.584 1.00 0.00 WAT +ATOM 38337 H1 TIP3 10676 25.249 16.729 8.064 1.00 0.00 WAT +ATOM 38338 H2 TIP3 10676 24.044 16.063 7.455 1.00 0.00 WAT +ATOM 38339 OH2 TIP3 10677 24.901 16.681 -1.481 1.00 0.00 WAT +ATOM 38340 H1 TIP3 10677 25.633 16.692 -2.103 1.00 0.00 WAT +ATOM 38341 H2 TIP3 10677 25.361 16.687 -0.623 1.00 0.00 WAT +ATOM 38342 OH2 TIP3 10678 22.916 28.358 -2.393 1.00 0.00 WAT +ATOM 38343 H1 TIP3 10678 22.081 28.848 -2.295 1.00 0.00 WAT +ATOM 38344 H2 TIP3 10678 23.292 28.788 -3.177 1.00 0.00 WAT +ATOM 38345 OH2 TIP3 10679 22.318 18.162 -0.368 1.00 0.00 WAT +ATOM 38346 H1 TIP3 10679 23.257 18.402 -0.295 1.00 0.00 WAT +ATOM 38347 H2 TIP3 10679 22.158 17.777 0.511 1.00 0.00 WAT +ATOM 38348 OH2 TIP3 10680 22.874 18.986 8.703 1.00 0.00 WAT +ATOM 38349 H1 TIP3 10680 23.065 19.385 9.565 1.00 0.00 WAT +ATOM 38350 H2 TIP3 10680 23.434 18.184 8.699 1.00 0.00 WAT +ATOM 38351 OH2 TIP3 10681 20.130 29.419 -2.388 1.00 0.00 WAT +ATOM 38352 H1 TIP3 10681 20.044 30.203 -2.972 1.00 0.00 WAT +ATOM 38353 H2 TIP3 10681 19.967 29.804 -1.514 1.00 0.00 WAT +ATOM 38354 OH2 TIP3 10682 29.196 16.948 9.576 1.00 0.00 WAT +ATOM 38355 H1 TIP3 10682 28.239 17.148 9.478 1.00 0.00 WAT +ATOM 38356 H2 TIP3 10682 29.396 16.762 8.648 1.00 0.00 WAT +ATOM 38357 OH2 TIP3 10683 27.736 20.859 3.636 1.00 0.00 WAT +ATOM 38358 H1 TIP3 10683 26.885 20.457 3.343 1.00 0.00 WAT +ATOM 38359 H2 TIP3 10683 28.150 20.105 4.105 1.00 0.00 WAT +ATOM 38360 OH2 TIP3 10684 17.250 26.937 -3.886 1.00 0.00 WAT +ATOM 38361 H1 TIP3 10684 17.988 27.460 -3.531 1.00 0.00 WAT +ATOM 38362 H2 TIP3 10684 17.723 26.449 -4.578 1.00 0.00 WAT +ATOM 38363 OH2 TIP3 10685 15.642 19.344 -4.810 1.00 0.00 WAT +ATOM 38364 H1 TIP3 10685 15.521 20.226 -4.411 1.00 0.00 WAT +ATOM 38365 H2 TIP3 10685 14.738 19.023 -4.887 1.00 0.00 WAT +ATOM 38366 OH2 TIP3 10686 28.686 29.678 5.006 1.00 0.00 WAT +ATOM 38367 H1 TIP3 10686 28.527 30.503 4.508 1.00 0.00 WAT +ATOM 38368 H2 TIP3 10686 29.612 29.812 5.265 1.00 0.00 WAT +ATOM 38369 OH2 TIP3 10687 15.191 27.652 0.276 1.00 0.00 WAT +ATOM 38370 H1 TIP3 10687 14.415 28.170 0.523 1.00 0.00 WAT +ATOM 38371 H2 TIP3 10687 15.570 28.186 -0.438 1.00 0.00 WAT +ATOM 38372 OH2 TIP3 10688 14.599 30.585 11.421 1.00 0.00 WAT +ATOM 38373 H1 TIP3 10688 15.183 30.303 12.152 1.00 0.00 WAT +ATOM 38374 H2 TIP3 10688 14.213 29.729 11.148 1.00 0.00 WAT +ATOM 38375 OH2 TIP3 10689 19.294 29.666 13.203 1.00 0.00 WAT +ATOM 38376 H1 TIP3 10689 19.974 29.015 13.432 1.00 0.00 WAT +ATOM 38377 H2 TIP3 10689 19.061 29.384 12.303 1.00 0.00 WAT +ATOM 38378 OH2 TIP3 10690 23.347 28.886 -5.233 1.00 0.00 WAT +ATOM 38379 H1 TIP3 10690 22.597 28.271 -5.390 1.00 0.00 WAT +ATOM 38380 H2 TIP3 10690 24.068 28.389 -5.655 1.00 0.00 WAT +ATOM 38381 OH2 TIP3 10691 25.770 27.913 11.786 1.00 0.00 WAT +ATOM 38382 H1 TIP3 10691 25.374 27.106 12.161 1.00 0.00 WAT +ATOM 38383 H2 TIP3 10691 26.453 28.134 12.443 1.00 0.00 WAT +ATOM 38384 OH2 TIP3 10692 27.973 28.825 -5.167 1.00 0.00 WAT +ATOM 38385 H1 TIP3 10692 28.148 28.008 -4.672 1.00 0.00 WAT +ATOM 38386 H2 TIP3 10692 28.750 28.873 -5.755 1.00 0.00 WAT +ATOM 38387 OH2 TIP3 10693 14.561 24.229 12.542 1.00 0.00 WAT +ATOM 38388 H1 TIP3 10693 14.648 23.313 12.228 1.00 0.00 WAT +ATOM 38389 H2 TIP3 10693 13.786 24.522 12.026 1.00 0.00 WAT +ATOM 38390 OH2 TIP3 10694 18.767 24.662 -5.428 1.00 0.00 WAT +ATOM 38391 H1 TIP3 10694 18.897 24.024 -4.710 1.00 0.00 WAT +ATOM 38392 H2 TIP3 10694 19.616 24.585 -5.904 1.00 0.00 WAT +ATOM 38393 OH2 TIP3 10695 21.194 24.400 11.879 1.00 0.00 WAT +ATOM 38394 H1 TIP3 10695 20.877 24.713 11.018 1.00 0.00 WAT +ATOM 38395 H2 TIP3 10695 21.251 23.431 11.741 1.00 0.00 WAT +ATOM 38396 OH2 TIP3 10696 23.984 25.962 -5.822 1.00 0.00 WAT +ATOM 38397 H1 TIP3 10696 23.975 25.909 -4.854 1.00 0.00 WAT +ATOM 38398 H2 TIP3 10696 23.962 25.008 -6.050 1.00 0.00 WAT +ATOM 38399 OH2 TIP3 10697 26.549 24.022 9.282 1.00 0.00 WAT +ATOM 38400 H1 TIP3 10697 27.325 24.563 9.074 1.00 0.00 WAT +ATOM 38401 H2 TIP3 10697 25.840 24.684 9.254 1.00 0.00 WAT +ATOM 38402 OH2 TIP3 10698 15.455 21.381 11.682 1.00 0.00 WAT +ATOM 38403 H1 TIP3 10698 16.178 20.731 11.702 1.00 0.00 WAT +ATOM 38404 H2 TIP3 10698 15.334 21.540 12.631 1.00 0.00 WAT +ATOM 38405 OH2 TIP3 10699 19.953 22.731 -2.981 1.00 0.00 WAT +ATOM 38406 H1 TIP3 10699 19.271 22.218 -2.521 1.00 0.00 WAT +ATOM 38407 H2 TIP3 10699 20.197 22.095 -3.689 1.00 0.00 WAT +ATOM 38408 OH2 TIP3 10700 19.120 20.396 8.974 1.00 0.00 WAT +ATOM 38409 H1 TIP3 10700 18.578 21.144 9.271 1.00 0.00 WAT +ATOM 38410 H2 TIP3 10700 19.778 20.839 8.407 1.00 0.00 WAT +ATOM 38411 OH2 TIP3 10701 20.860 20.844 -4.823 1.00 0.00 WAT +ATOM 38412 H1 TIP3 10701 20.775 20.747 -5.788 1.00 0.00 WAT +ATOM 38413 H2 TIP3 10701 21.822 20.753 -4.698 1.00 0.00 WAT +ATOM 38414 OH2 TIP3 10702 24.385 23.196 12.717 1.00 0.00 WAT +ATOM 38415 H1 TIP3 10702 25.275 22.986 12.401 1.00 0.00 WAT +ATOM 38416 H2 TIP3 10702 24.111 22.350 13.099 1.00 0.00 WAT +ATOM 38417 OH2 TIP3 10703 30.324 23.115 -5.687 1.00 0.00 WAT +ATOM 38418 H1 TIP3 10703 30.353 22.769 -6.591 1.00 0.00 WAT +ATOM 38419 H2 TIP3 10703 30.283 24.077 -5.865 1.00 0.00 WAT +ATOM 38420 OH2 TIP3 10704 19.668 17.784 10.263 1.00 0.00 WAT +ATOM 38421 H1 TIP3 10704 19.678 17.093 9.581 1.00 0.00 WAT +ATOM 38422 H2 TIP3 10704 19.484 18.580 9.729 1.00 0.00 WAT +ATOM 38423 OH2 TIP3 10705 19.697 16.202 7.503 1.00 0.00 WAT +ATOM 38424 H1 TIP3 10705 20.412 16.722 7.073 1.00 0.00 WAT +ATOM 38425 H2 TIP3 10705 18.919 16.629 7.133 1.00 0.00 WAT +ATOM 38426 OH2 TIP3 10706 21.544 21.689 8.152 1.00 0.00 WAT +ATOM 38427 H1 TIP3 10706 22.369 21.550 7.666 1.00 0.00 WAT +ATOM 38428 H2 TIP3 10706 21.276 22.576 7.841 1.00 0.00 WAT +ATOM 38429 OH2 TIP3 10707 26.123 19.635 12.952 1.00 0.00 WAT +ATOM 38430 H1 TIP3 10707 26.324 18.690 13.021 1.00 0.00 WAT +ATOM 38431 H2 TIP3 10707 27.009 20.018 12.874 1.00 0.00 WAT +ATOM 38432 OH2 TIP3 10708 27.105 22.424 11.430 1.00 0.00 WAT +ATOM 38433 H1 TIP3 10708 26.742 23.021 10.742 1.00 0.00 WAT +ATOM 38434 H2 TIP3 10708 27.984 22.248 11.040 1.00 0.00 WAT +ATOM 38435 OH2 TIP3 10709 17.886 19.617 12.031 1.00 0.00 WAT +ATOM 38436 H1 TIP3 10709 17.304 18.839 12.054 1.00 0.00 WAT +ATOM 38437 H2 TIP3 10709 18.689 19.254 11.625 1.00 0.00 WAT +ATOM 38438 OH2 TIP3 10710 20.746 13.635 8.179 1.00 0.00 WAT +ATOM 38439 H1 TIP3 10710 20.433 14.535 7.952 1.00 0.00 WAT +ATOM 38440 H2 TIP3 10710 20.081 13.095 7.694 1.00 0.00 WAT +ATOM 38441 OH2 TIP3 10711 21.979 18.162 11.894 1.00 0.00 WAT +ATOM 38442 H1 TIP3 10711 21.611 17.918 12.762 1.00 0.00 WAT +ATOM 38443 H2 TIP3 10711 21.207 17.958 11.327 1.00 0.00 WAT +ATOM 38444 OH2 TIP3 10712 24.580 17.242 10.804 1.00 0.00 WAT +ATOM 38445 H1 TIP3 10712 23.653 17.230 11.101 1.00 0.00 WAT +ATOM 38446 H2 TIP3 10712 24.976 16.536 11.341 1.00 0.00 WAT +ATOM 38447 OH2 TIP3 10713 26.472 15.675 12.517 1.00 0.00 WAT +ATOM 38448 H1 TIP3 10713 26.210 14.738 12.612 1.00 0.00 WAT +ATOM 38449 H2 TIP3 10713 26.173 16.080 13.352 1.00 0.00 WAT +ATOM 38450 OH2 TIP3 10714 16.389 17.050 11.783 1.00 0.00 WAT +ATOM 38451 H1 TIP3 10714 16.381 16.269 11.211 1.00 0.00 WAT +ATOM 38452 H2 TIP3 10714 16.277 16.645 12.668 1.00 0.00 WAT +ATOM 38453 OH2 TIP3 10715 20.908 12.773 10.966 1.00 0.00 WAT +ATOM 38454 H1 TIP3 10715 21.677 12.189 10.954 1.00 0.00 WAT +ATOM 38455 H2 TIP3 10715 20.773 12.950 10.015 1.00 0.00 WAT +ATOM 38456 OH2 TIP3 10716 21.494 14.904 12.755 1.00 0.00 WAT +ATOM 38457 H1 TIP3 10716 21.258 14.257 12.060 1.00 0.00 WAT +ATOM 38458 H2 TIP3 10716 20.754 15.528 12.726 1.00 0.00 WAT +ATOM 38459 OH2 TIP3 10717 20.582 31.945 -3.737 1.00 0.00 WAT +ATOM 38460 H1 TIP3 10717 21.537 32.071 -3.643 1.00 0.00 WAT +ATOM 38461 H2 TIP3 10717 20.422 32.414 -4.567 1.00 0.00 WAT +ATOM 38462 OH2 TIP3 10718 14.475 26.373 -4.250 1.00 0.00 WAT +ATOM 38463 H1 TIP3 10718 15.427 26.538 -4.085 1.00 0.00 WAT +ATOM 38464 H2 TIP3 10718 14.501 25.570 -4.811 1.00 0.00 WAT +ATOM 38465 OH2 TIP3 10719 13.465 31.565 0.524 1.00 0.00 WAT +ATOM 38466 H1 TIP3 10719 12.751 31.182 -0.023 1.00 0.00 WAT +ATOM 38467 H2 TIP3 10719 13.577 30.874 1.208 1.00 0.00 WAT +ATOM 38468 OH2 TIP3 10720 13.865 29.579 2.501 1.00 0.00 WAT +ATOM 38469 H1 TIP3 10720 13.569 28.708 2.816 1.00 0.00 WAT +ATOM 38470 H2 TIP3 10720 14.190 29.938 3.342 1.00 0.00 WAT +ATOM 38471 OH2 TIP3 10721 31.404 30.850 5.524 1.00 0.00 WAT +ATOM 38472 H1 TIP3 10721 31.582 30.821 6.476 1.00 0.00 WAT +ATOM 38473 H2 TIP3 10721 32.258 31.142 5.176 1.00 0.00 WAT +ATOM 38474 OH2 TIP3 10722 31.311 30.291 8.398 1.00 0.00 WAT +ATOM 38475 H1 TIP3 10722 30.795 29.546 8.036 1.00 0.00 WAT +ATOM 38476 H2 TIP3 10722 31.867 29.820 9.036 1.00 0.00 WAT +ATOM 38477 OH2 TIP3 10723 29.313 25.717 12.687 1.00 0.00 WAT +ATOM 38478 H1 TIP3 10723 28.425 25.790 13.078 1.00 0.00 WAT +ATOM 38479 H2 TIP3 10723 29.756 26.524 12.998 1.00 0.00 WAT +ATOM 38480 OH2 TIP3 10724 30.693 24.614 -1.585 1.00 0.00 WAT +ATOM 38481 H1 TIP3 10724 31.599 24.951 -1.445 1.00 0.00 WAT +ATOM 38482 H2 TIP3 10724 30.636 23.971 -0.854 1.00 0.00 WAT +ATOM 38483 OH2 TIP3 10725 31.156 22.575 0.389 1.00 0.00 WAT +ATOM 38484 H1 TIP3 10725 30.482 22.022 0.832 1.00 0.00 WAT +ATOM 38485 H2 TIP3 10725 31.836 22.700 1.080 1.00 0.00 WAT +ATOM 38486 OH2 TIP3 10726 30.896 25.083 5.377 1.00 0.00 WAT +ATOM 38487 H1 TIP3 10726 31.511 24.590 4.813 1.00 0.00 WAT +ATOM 38488 H2 TIP3 10726 31.032 25.996 5.073 1.00 0.00 WAT +ATOM 38489 OH2 TIP3 10727 29.613 28.003 7.614 1.00 0.00 WAT +ATOM 38490 H1 TIP3 10727 28.879 28.396 8.119 1.00 0.00 WAT +ATOM 38491 H2 TIP3 10727 29.151 27.632 6.837 1.00 0.00 WAT +ATOM 38492 OH2 TIP3 10728 31.424 21.929 -3.011 1.00 0.00 WAT +ATOM 38493 H1 TIP3 10728 30.882 22.185 -3.778 1.00 0.00 WAT +ATOM 38494 H2 TIP3 10728 31.317 22.704 -2.437 1.00 0.00 WAT +ATOM 38495 OH2 TIP3 10729 29.802 19.534 -4.774 1.00 0.00 WAT +ATOM 38496 H1 TIP3 10729 29.856 20.167 -5.503 1.00 0.00 WAT +ATOM 38497 H2 TIP3 10729 29.470 18.746 -5.243 1.00 0.00 WAT +ATOM 38498 OH2 TIP3 10730 29.120 20.682 1.207 1.00 0.00 WAT +ATOM 38499 H1 TIP3 10730 28.995 19.732 1.062 1.00 0.00 WAT +ATOM 38500 H2 TIP3 10730 28.720 20.802 2.094 1.00 0.00 WAT +ATOM 38501 OH2 TIP3 10731 13.909 22.859 4.864 1.00 0.00 WAT +ATOM 38502 H1 TIP3 10731 14.163 22.861 3.917 1.00 0.00 WAT +ATOM 38503 H2 TIP3 10731 14.768 22.649 5.286 1.00 0.00 WAT +ATOM 38504 OH2 TIP3 10732 29.711 22.646 10.345 1.00 0.00 WAT +ATOM 38505 H1 TIP3 10732 30.438 22.020 10.524 1.00 0.00 WAT +ATOM 38506 H2 TIP3 10732 30.178 23.474 10.174 1.00 0.00 WAT +ATOM 38507 OH2 TIP3 10733 31.272 20.748 11.568 1.00 0.00 WAT +ATOM 38508 H1 TIP3 10733 30.472 20.224 11.342 1.00 0.00 WAT +ATOM 38509 H2 TIP3 10733 31.963 20.060 11.542 1.00 0.00 WAT +ATOM 38510 OH2 TIP3 10734 29.126 16.845 -5.521 1.00 0.00 WAT +ATOM 38511 H1 TIP3 10734 29.631 16.313 -4.895 1.00 0.00 WAT +ATOM 38512 H2 TIP3 10734 28.299 16.353 -5.613 1.00 0.00 WAT +ATOM 38513 OH2 TIP3 10735 29.069 18.186 -0.700 1.00 0.00 WAT +ATOM 38514 H1 TIP3 10735 29.223 17.224 -0.637 1.00 0.00 WAT +ATOM 38515 H2 TIP3 10735 29.903 18.494 -1.073 1.00 0.00 WAT +ATOM 38516 OH2 TIP3 10736 29.230 18.786 4.824 1.00 0.00 WAT +ATOM 38517 H1 TIP3 10736 30.197 18.933 4.838 1.00 0.00 WAT +ATOM 38518 H2 TIP3 10736 29.029 18.867 5.773 1.00 0.00 WAT +ATOM 38519 OH2 TIP3 10737 29.382 19.496 7.634 1.00 0.00 WAT +ATOM 38520 H1 TIP3 10737 28.516 19.845 7.919 1.00 0.00 WAT +ATOM 38521 H2 TIP3 10737 29.873 20.317 7.444 1.00 0.00 WAT +ATOM 38522 OH2 TIP3 10738 13.564 17.938 10.991 1.00 0.00 WAT +ATOM 38523 H1 TIP3 10738 14.490 17.704 11.154 1.00 0.00 WAT +ATOM 38524 H2 TIP3 10738 13.086 17.196 11.375 1.00 0.00 WAT +ATOM 38525 OH2 TIP3 10739 31.961 13.681 12.953 1.00 0.00 WAT +ATOM 38526 H1 TIP3 10739 32.336 12.984 12.383 1.00 0.00 WAT +ATOM 38527 H2 TIP3 10739 31.950 14.447 12.346 1.00 0.00 WAT +ATOM 38528 OH2 TIP3 10740 29.270 15.230 -0.721 1.00 0.00 WAT +ATOM 38529 H1 TIP3 10740 29.462 15.011 0.214 1.00 0.00 WAT +ATOM 38530 H2 TIP3 10740 28.395 14.830 -0.816 1.00 0.00 WAT +ATOM 38531 OH2 TIP3 10741 13.385 19.517 4.956 1.00 0.00 WAT +ATOM 38532 H1 TIP3 10741 13.817 19.421 4.112 1.00 0.00 WAT +ATOM 38533 H2 TIP3 10741 13.801 20.301 5.323 1.00 0.00 WAT +ATOM 38534 OH2 TIP3 10742 31.295 15.703 11.182 1.00 0.00 WAT +ATOM 38535 H1 TIP3 10742 30.422 16.136 11.226 1.00 0.00 WAT +ATOM 38536 H2 TIP3 10742 31.173 15.173 10.373 1.00 0.00 WAT +ATOM 38537 OH2 TIP3 10743 31.579 15.855 -3.808 1.00 0.00 WAT +ATOM 38538 H1 TIP3 10743 31.703 15.070 -4.372 1.00 0.00 WAT +ATOM 38539 H2 TIP3 10743 32.017 16.543 -4.324 1.00 0.00 WAT +ATOM 38540 OH2 TIP3 10744 28.290 30.874 1.334 1.00 0.00 WAT +ATOM 38541 H1 TIP3 10744 28.750 30.653 0.505 1.00 0.00 WAT +ATOM 38542 H2 TIP3 10744 29.002 31.275 1.848 1.00 0.00 WAT +ATOM 38543 OH2 TIP3 10745 15.700 27.663 12.036 1.00 0.00 WAT +ATOM 38544 H1 TIP3 10745 14.965 27.571 11.411 1.00 0.00 WAT +ATOM 38545 H2 TIP3 10745 15.261 27.534 12.888 1.00 0.00 WAT +ATOM 38546 OH2 TIP3 10746 18.555 28.560 7.684 1.00 0.00 WAT +ATOM 38547 H1 TIP3 10746 18.219 29.420 7.378 1.00 0.00 WAT +ATOM 38548 H2 TIP3 10746 19.514 28.699 7.555 1.00 0.00 WAT +ATOM 38549 OH2 TIP3 10747 23.050 29.893 10.727 1.00 0.00 WAT +ATOM 38550 H1 TIP3 10747 23.186 29.721 11.673 1.00 0.00 WAT +ATOM 38551 H2 TIP3 10747 23.887 30.338 10.485 1.00 0.00 WAT +ATOM 38552 OH2 TIP3 10748 25.344 31.352 9.961 1.00 0.00 WAT +ATOM 38553 H1 TIP3 10748 26.030 30.702 9.747 1.00 0.00 WAT +ATOM 38554 H2 TIP3 10748 25.642 31.658 10.840 1.00 0.00 WAT +ATOM 38555 OH2 TIP3 10749 30.171 13.937 9.136 1.00 0.00 WAT +ATOM 38556 H1 TIP3 10749 29.355 14.141 8.646 1.00 0.00 WAT +ATOM 38557 H2 TIP3 10749 30.368 13.038 8.801 1.00 0.00 WAT +ATOM 38558 OH2 TIP3 10750 15.918 31.541 8.042 1.00 0.00 WAT +ATOM 38559 H1 TIP3 10750 15.317 32.173 7.608 1.00 0.00 WAT +ATOM 38560 H2 TIP3 10750 15.586 31.578 8.948 1.00 0.00 WAT +ATOM 38561 OH2 TIP3 10751 18.404 31.301 6.567 1.00 0.00 WAT +ATOM 38562 H1 TIP3 10751 17.560 31.492 7.022 1.00 0.00 WAT +ATOM 38563 H2 TIP3 10751 18.446 32.021 5.911 1.00 0.00 WAT +ATOM 38564 OH2 TIP3 10752 23.140 31.314 6.160 1.00 0.00 WAT +ATOM 38565 H1 TIP3 10752 22.793 31.787 5.383 1.00 0.00 WAT +ATOM 38566 H2 TIP3 10752 23.245 32.047 6.796 1.00 0.00 WAT +ATOM 38567 OH2 TIP3 10753 25.492 30.029 7.062 1.00 0.00 WAT +ATOM 38568 H1 TIP3 10753 24.642 30.395 6.754 1.00 0.00 WAT +ATOM 38569 H2 TIP3 10753 26.054 30.817 7.066 1.00 0.00 WAT +ATOM 38570 OH2 TIP3 10754 28.019 31.756 7.268 1.00 0.00 WAT +ATOM 38571 H1 TIP3 10754 27.978 32.709 7.054 1.00 0.00 WAT +ATOM 38572 H2 TIP3 10754 28.304 31.395 6.412 1.00 0.00 WAT +ATOM 38573 OH2 TIP3 10755 15.501 30.340 4.998 1.00 0.00 WAT +ATOM 38574 H1 TIP3 10755 15.469 29.846 5.846 1.00 0.00 WAT +ATOM 38575 H2 TIP3 10755 16.262 29.909 4.570 1.00 0.00 WAT +ATOM 38576 OH2 TIP3 10756 17.556 29.027 3.360 1.00 0.00 WAT +ATOM 38577 H1 TIP3 10756 17.383 28.124 3.708 1.00 0.00 WAT +ATOM 38578 H2 TIP3 10756 18.406 29.255 3.783 1.00 0.00 WAT +ATOM 38579 OH2 TIP3 10757 20.233 29.445 4.369 1.00 0.00 WAT +ATOM 38580 H1 TIP3 10757 20.664 28.596 4.252 1.00 0.00 WAT +ATOM 38581 H2 TIP3 10757 20.350 29.575 5.326 1.00 0.00 WAT +ATOM 38582 OH2 TIP3 10758 28.541 13.472 4.092 1.00 0.00 WAT +ATOM 38583 H1 TIP3 10758 29.228 13.917 3.571 1.00 0.00 WAT +ATOM 38584 H2 TIP3 10758 27.735 13.617 3.547 1.00 0.00 WAT +ATOM 38585 OH2 TIP3 10759 30.556 14.615 1.785 1.00 0.00 WAT +ATOM 38586 H1 TIP3 10759 31.314 14.131 1.406 1.00 0.00 WAT +ATOM 38587 H2 TIP3 10759 30.925 15.488 1.998 1.00 0.00 WAT +ATOM 38588 OH2 TIP3 10760 26.255 13.538 2.511 1.00 0.00 WAT +ATOM 38589 H1 TIP3 10760 25.971 13.823 1.635 1.00 0.00 WAT +ATOM 38590 H2 TIP3 10760 25.726 12.740 2.622 1.00 0.00 WAT +ATOM 38591 OH2 TIP3 10761 14.949 29.602 -1.777 1.00 0.00 WAT +ATOM 38592 H1 TIP3 10761 14.312 29.476 -2.496 1.00 0.00 WAT +ATOM 38593 H2 TIP3 10761 14.930 30.565 -1.695 1.00 0.00 WAT +ATOM 38594 OH2 TIP3 10762 21.316 15.570 -2.003 1.00 0.00 WAT +ATOM 38595 H1 TIP3 10762 21.760 15.032 -1.337 1.00 0.00 WAT +ATOM 38596 H2 TIP3 10762 21.373 16.456 -1.624 1.00 0.00 WAT +ATOM 38597 OH2 TIP3 10763 23.612 31.421 -3.640 1.00 0.00 WAT +ATOM 38598 H1 TIP3 10763 24.584 31.458 -3.705 1.00 0.00 WAT +ATOM 38599 H2 TIP3 10763 23.419 30.778 -4.343 1.00 0.00 WAT +ATOM 38600 OH2 TIP3 10764 30.088 30.468 -1.067 1.00 0.00 WAT +ATOM 38601 H1 TIP3 10764 29.889 29.620 -1.513 1.00 0.00 WAT +ATOM 38602 H2 TIP3 10764 30.132 31.070 -1.828 1.00 0.00 WAT +ATOM 38603 OH2 TIP3 10765 15.762 14.180 10.603 1.00 0.00 WAT +ATOM 38604 H1 TIP3 10765 15.280 13.722 11.303 1.00 0.00 WAT +ATOM 38605 H2 TIP3 10765 16.673 14.149 10.929 1.00 0.00 WAT +ATOM 38606 OH2 TIP3 10766 18.263 13.737 12.354 1.00 0.00 WAT +ATOM 38607 H1 TIP3 10766 19.021 13.220 12.035 1.00 0.00 WAT +ATOM 38608 H2 TIP3 10766 17.796 13.094 12.925 1.00 0.00 WAT +ATOM 38609 OH2 TIP3 10767 16.386 30.573 -4.985 1.00 0.00 WAT +ATOM 38610 H1 TIP3 10767 16.148 30.826 -4.081 1.00 0.00 WAT +ATOM 38611 H2 TIP3 10767 17.145 29.982 -4.849 1.00 0.00 WAT +ATOM 38612 OH2 TIP3 10768 26.252 12.887 12.601 1.00 0.00 WAT +ATOM 38613 H1 TIP3 10768 26.338 12.521 13.501 1.00 0.00 WAT +ATOM 38614 H2 TIP3 10768 27.176 12.884 12.296 1.00 0.00 WAT +ATOM 38615 OH2 TIP3 10769 29.626 29.229 11.306 1.00 0.00 WAT +ATOM 38616 H1 TIP3 10769 28.891 29.029 10.699 1.00 0.00 WAT +ATOM 38617 H2 TIP3 10769 29.443 30.166 11.507 1.00 0.00 WAT +ATOM 38618 OH2 TIP3 10770 42.113 22.010 4.584 1.00 0.00 WAT +ATOM 38619 H1 TIP3 10770 42.906 22.271 5.088 1.00 0.00 WAT +ATOM 38620 H2 TIP3 10770 42.454 21.956 3.684 1.00 0.00 WAT +ATOM 38621 OH2 TIP3 10771 35.150 21.924 6.178 1.00 0.00 WAT +ATOM 38622 H1 TIP3 10771 35.134 21.181 6.809 1.00 0.00 WAT +ATOM 38623 H2 TIP3 10771 35.861 22.466 6.548 1.00 0.00 WAT +ATOM 38624 OH2 TIP3 10772 35.809 26.565 4.685 1.00 0.00 WAT +ATOM 38625 H1 TIP3 10772 35.568 25.649 4.429 1.00 0.00 WAT +ATOM 38626 H2 TIP3 10772 36.743 26.436 4.905 1.00 0.00 WAT +ATOM 38627 OH2 TIP3 10773 32.813 19.997 -0.065 1.00 0.00 WAT +ATOM 38628 H1 TIP3 10773 32.411 20.854 0.154 1.00 0.00 WAT +ATOM 38629 H2 TIP3 10773 32.034 19.442 -0.181 1.00 0.00 WAT +ATOM 38630 OH2 TIP3 10774 33.597 22.407 1.904 1.00 0.00 WAT +ATOM 38631 H1 TIP3 10774 33.765 21.602 2.432 1.00 0.00 WAT +ATOM 38632 H2 TIP3 10774 34.457 22.553 1.490 1.00 0.00 WAT +ATOM 38633 OH2 TIP3 10775 41.197 24.858 5.182 1.00 0.00 WAT +ATOM 38634 H1 TIP3 10775 41.454 24.108 4.619 1.00 0.00 WAT +ATOM 38635 H2 TIP3 10775 42.037 25.067 5.610 1.00 0.00 WAT +ATOM 38636 OH2 TIP3 10776 37.423 17.207 2.673 1.00 0.00 WAT +ATOM 38637 H1 TIP3 10776 37.586 18.061 2.226 1.00 0.00 WAT +ATOM 38638 H2 TIP3 10776 37.098 16.675 1.924 1.00 0.00 WAT +ATOM 38639 OH2 TIP3 10777 34.126 19.941 3.175 1.00 0.00 WAT +ATOM 38640 H1 TIP3 10777 34.741 19.473 3.765 1.00 0.00 WAT +ATOM 38641 H2 TIP3 10777 34.219 19.433 2.354 1.00 0.00 WAT +ATOM 38642 OH2 TIP3 10778 39.519 21.290 2.644 1.00 0.00 WAT +ATOM 38643 H1 TIP3 10778 40.270 20.770 2.999 1.00 0.00 WAT +ATOM 38644 H2 TIP3 10778 39.022 20.591 2.183 1.00 0.00 WAT +ATOM 38645 OH2 TIP3 10779 36.242 15.984 6.822 1.00 0.00 WAT +ATOM 38646 H1 TIP3 10779 35.838 16.487 6.099 1.00 0.00 WAT +ATOM 38647 H2 TIP3 10779 35.580 16.118 7.530 1.00 0.00 WAT +ATOM 38648 OH2 TIP3 10780 39.154 23.811 6.970 1.00 0.00 WAT +ATOM 38649 H1 TIP3 10780 38.428 24.419 7.220 1.00 0.00 WAT +ATOM 38650 H2 TIP3 10780 39.805 24.419 6.578 1.00 0.00 WAT +ATOM 38651 OH2 TIP3 10781 35.829 18.040 4.766 1.00 0.00 WAT +ATOM 38652 H1 TIP3 10781 36.478 18.610 5.233 1.00 0.00 WAT +ATOM 38653 H2 TIP3 10781 36.409 17.663 4.068 1.00 0.00 WAT +ATOM 38654 OH2 TIP3 10782 37.151 25.733 7.682 1.00 0.00 WAT +ATOM 38655 H1 TIP3 10782 37.129 26.653 7.360 1.00 0.00 WAT +ATOM 38656 H2 TIP3 10782 36.282 25.688 8.123 1.00 0.00 WAT +ATOM 38657 OH2 TIP3 10783 33.453 25.443 -1.444 1.00 0.00 WAT +ATOM 38658 H1 TIP3 10783 33.289 25.943 -2.264 1.00 0.00 WAT +ATOM 38659 H2 TIP3 10783 33.639 26.146 -0.787 1.00 0.00 WAT +ATOM 38660 OH2 TIP3 10784 40.442 13.460 3.974 1.00 0.00 WAT +ATOM 38661 H1 TIP3 10784 40.173 12.522 3.945 1.00 0.00 WAT +ATOM 38662 H2 TIP3 10784 39.633 13.878 4.336 1.00 0.00 WAT +ATOM 38663 OH2 TIP3 10785 42.729 22.283 -1.394 1.00 0.00 WAT +ATOM 38664 H1 TIP3 10785 42.018 22.947 -1.485 1.00 0.00 WAT +ATOM 38665 H2 TIP3 10785 43.294 22.534 -2.125 1.00 0.00 WAT +ATOM 38666 OH2 TIP3 10786 42.889 20.752 -4.220 1.00 0.00 WAT +ATOM 38667 H1 TIP3 10786 43.663 20.690 -3.640 1.00 0.00 WAT +ATOM 38668 H2 TIP3 10786 42.957 19.959 -4.763 1.00 0.00 WAT +ATOM 38669 OH2 TIP3 10787 37.575 23.168 1.570 1.00 0.00 WAT +ATOM 38670 H1 TIP3 10787 37.304 22.742 0.739 1.00 0.00 WAT +ATOM 38671 H2 TIP3 10787 38.240 22.541 1.911 1.00 0.00 WAT +ATOM 38672 OH2 TIP3 10788 38.965 26.565 4.318 1.00 0.00 WAT +ATOM 38673 H1 TIP3 10788 38.881 26.183 3.434 1.00 0.00 WAT +ATOM 38674 H2 TIP3 10788 39.765 26.118 4.654 1.00 0.00 WAT +ATOM 38675 OH2 TIP3 10789 38.150 22.013 5.030 1.00 0.00 WAT +ATOM 38676 H1 TIP3 10789 38.764 21.990 4.269 1.00 0.00 WAT +ATOM 38677 H2 TIP3 10789 38.577 22.659 5.625 1.00 0.00 WAT +ATOM 38678 OH2 TIP3 10790 39.035 26.351 9.866 1.00 0.00 WAT +ATOM 38679 H1 TIP3 10790 38.513 27.007 10.359 1.00 0.00 WAT +ATOM 38680 H2 TIP3 10790 38.398 26.076 9.179 1.00 0.00 WAT +ATOM 38681 OH2 TIP3 10791 35.945 22.698 9.005 1.00 0.00 WAT +ATOM 38682 H1 TIP3 10791 35.996 23.291 9.776 1.00 0.00 WAT +ATOM 38683 H2 TIP3 10791 34.983 22.583 8.916 1.00 0.00 WAT +ATOM 38684 OH2 TIP3 10792 42.495 28.423 0.756 1.00 0.00 WAT +ATOM 38685 H1 TIP3 10792 42.991 28.931 1.419 1.00 0.00 WAT +ATOM 38686 H2 TIP3 10792 42.001 29.119 0.302 1.00 0.00 WAT +ATOM 38687 OH2 TIP3 10793 37.107 28.522 10.703 1.00 0.00 WAT +ATOM 38688 H1 TIP3 10793 37.002 28.545 9.735 1.00 0.00 WAT +ATOM 38689 H2 TIP3 10793 36.228 28.232 11.013 1.00 0.00 WAT +ATOM 38690 OH2 TIP3 10794 36.540 21.913 -1.008 1.00 0.00 WAT +ATOM 38691 H1 TIP3 10794 36.323 22.728 -1.500 1.00 0.00 WAT +ATOM 38692 H2 TIP3 10794 35.730 21.402 -1.112 1.00 0.00 WAT +ATOM 38693 OH2 TIP3 10795 32.565 24.606 7.814 1.00 0.00 WAT +ATOM 38694 H1 TIP3 10795 32.112 24.603 6.948 1.00 0.00 WAT +ATOM 38695 H2 TIP3 10795 32.688 23.653 7.981 1.00 0.00 WAT +ATOM 38696 OH2 TIP3 10796 32.615 27.538 4.743 1.00 0.00 WAT +ATOM 38697 H1 TIP3 10796 33.537 27.246 4.790 1.00 0.00 WAT +ATOM 38698 H2 TIP3 10796 32.568 28.142 5.498 1.00 0.00 WAT +ATOM 38699 OH2 TIP3 10797 41.733 27.353 9.384 1.00 0.00 WAT +ATOM 38700 H1 TIP3 10797 41.796 28.244 9.754 1.00 0.00 WAT +ATOM 38701 H2 TIP3 10797 40.818 27.086 9.587 1.00 0.00 WAT +ATOM 38702 OH2 TIP3 10798 41.857 31.181 -0.720 1.00 0.00 WAT +ATOM 38703 H1 TIP3 10798 42.030 31.218 -1.673 1.00 0.00 WAT +ATOM 38704 H2 TIP3 10798 42.073 32.069 -0.412 1.00 0.00 WAT +ATOM 38705 OH2 TIP3 10799 35.739 30.333 0.908 1.00 0.00 WAT +ATOM 38706 H1 TIP3 10799 35.880 29.876 1.763 1.00 0.00 WAT +ATOM 38707 H2 TIP3 10799 34.914 29.927 0.607 1.00 0.00 WAT +ATOM 38708 OH2 TIP3 10800 34.743 26.162 9.066 1.00 0.00 WAT +ATOM 38709 H1 TIP3 10800 35.023 25.681 9.872 1.00 0.00 WAT +ATOM 38710 H2 TIP3 10800 34.015 25.612 8.724 1.00 0.00 WAT +ATOM 38711 OH2 TIP3 10801 37.971 14.625 4.811 1.00 0.00 WAT +ATOM 38712 H1 TIP3 10801 37.147 14.544 4.300 1.00 0.00 WAT +ATOM 38713 H2 TIP3 10801 37.735 15.356 5.402 1.00 0.00 WAT +ATOM 38714 OH2 TIP3 10802 42.325 13.982 9.092 1.00 0.00 WAT +ATOM 38715 H1 TIP3 10802 42.446 13.250 9.714 1.00 0.00 WAT +ATOM 38716 H2 TIP3 10802 41.416 13.803 8.773 1.00 0.00 WAT +ATOM 38717 OH2 TIP3 10803 42.323 16.787 -4.155 1.00 0.00 WAT +ATOM 38718 H1 TIP3 10803 41.677 16.582 -3.464 1.00 0.00 WAT +ATOM 38719 H2 TIP3 10803 42.061 16.153 -4.838 1.00 0.00 WAT +ATOM 38720 OH2 TIP3 10804 37.785 19.425 6.226 1.00 0.00 WAT +ATOM 38721 H1 TIP3 10804 37.193 19.539 6.986 1.00 0.00 WAT +ATOM 38722 H2 TIP3 10804 37.866 20.337 5.872 1.00 0.00 WAT +ATOM 38723 OH2 TIP3 10805 37.742 19.498 1.116 1.00 0.00 WAT +ATOM 38724 H1 TIP3 10805 36.785 19.387 0.951 1.00 0.00 WAT +ATOM 38725 H2 TIP3 10805 38.100 19.308 0.230 1.00 0.00 WAT +ATOM 38726 OH2 TIP3 10806 42.768 20.018 0.613 1.00 0.00 WAT +ATOM 38727 H1 TIP3 10806 42.628 20.953 0.385 1.00 0.00 WAT +ATOM 38728 H2 TIP3 10806 43.704 19.996 0.850 1.00 0.00 WAT +ATOM 38729 OH2 TIP3 10807 42.515 20.317 11.451 1.00 0.00 WAT +ATOM 38730 H1 TIP3 10807 41.947 19.524 11.575 1.00 0.00 WAT +ATOM 38731 H2 TIP3 10807 43.384 19.870 11.429 1.00 0.00 WAT +ATOM 38732 OH2 TIP3 10808 35.167 19.586 8.071 1.00 0.00 WAT +ATOM 38733 H1 TIP3 10808 35.419 19.887 8.952 1.00 0.00 WAT +ATOM 38734 H2 TIP3 10808 34.809 18.701 8.263 1.00 0.00 WAT +ATOM 38735 OH2 TIP3 10809 38.646 17.245 -5.346 1.00 0.00 WAT +ATOM 38736 H1 TIP3 10809 38.221 16.812 -4.582 1.00 0.00 WAT +ATOM 38737 H2 TIP3 10809 37.903 17.380 -5.951 1.00 0.00 WAT +ATOM 38738 OH2 TIP3 10810 32.108 17.203 1.672 1.00 0.00 WAT +ATOM 38739 H1 TIP3 10810 32.621 16.996 2.477 1.00 0.00 WAT +ATOM 38740 H2 TIP3 10810 32.507 16.654 0.980 1.00 0.00 WAT +ATOM 38741 OH2 TIP3 10811 43.500 20.844 7.490 1.00 0.00 WAT +ATOM 38742 H1 TIP3 10811 43.781 20.186 6.819 1.00 0.00 WAT +ATOM 38743 H2 TIP3 10811 42.719 20.396 7.847 1.00 0.00 WAT +ATOM 38744 OH2 TIP3 10812 40.482 16.890 2.147 1.00 0.00 WAT +ATOM 38745 H1 TIP3 10812 39.547 16.959 2.397 1.00 0.00 WAT +ATOM 38746 H2 TIP3 10812 40.905 17.084 3.000 1.00 0.00 WAT +ATOM 38747 OH2 TIP3 10813 35.128 18.367 0.726 1.00 0.00 WAT +ATOM 38748 H1 TIP3 10813 34.203 18.488 0.451 1.00 0.00 WAT +ATOM 38749 H2 TIP3 10813 35.353 17.474 0.404 1.00 0.00 WAT +ATOM 38750 OH2 TIP3 10814 38.735 18.625 -1.521 1.00 0.00 WAT +ATOM 38751 H1 TIP3 10814 39.698 18.702 -1.406 1.00 0.00 WAT +ATOM 38752 H2 TIP3 10814 38.548 19.257 -2.224 1.00 0.00 WAT +ATOM 38753 OH2 TIP3 10815 36.825 19.703 -3.889 1.00 0.00 WAT +ATOM 38754 H1 TIP3 10815 36.687 19.633 -4.860 1.00 0.00 WAT +ATOM 38755 H2 TIP3 10815 37.741 20.019 -3.932 1.00 0.00 WAT +ATOM 38756 OH2 TIP3 10816 35.821 24.624 11.241 1.00 0.00 WAT +ATOM 38757 H1 TIP3 10816 36.498 24.705 11.945 1.00 0.00 WAT +ATOM 38758 H2 TIP3 10816 35.017 24.600 11.795 1.00 0.00 WAT +ATOM 38759 OH2 TIP3 10817 41.380 19.226 3.576 1.00 0.00 WAT +ATOM 38760 H1 TIP3 10817 42.173 18.923 3.119 1.00 0.00 WAT +ATOM 38761 H2 TIP3 10817 41.627 19.109 4.509 1.00 0.00 WAT +ATOM 38762 OH2 TIP3 10818 36.786 16.031 0.110 1.00 0.00 WAT +ATOM 38763 H1 TIP3 10818 36.259 15.233 0.298 1.00 0.00 WAT +ATOM 38764 H2 TIP3 10818 37.623 15.650 -0.190 1.00 0.00 WAT +ATOM 38765 OH2 TIP3 10819 40.494 17.969 6.262 1.00 0.00 WAT +ATOM 38766 H1 TIP3 10819 39.799 18.631 6.110 1.00 0.00 WAT +ATOM 38767 H2 TIP3 10819 41.003 18.373 6.988 1.00 0.00 WAT +ATOM 38768 OH2 TIP3 10820 40.752 24.283 -1.837 1.00 0.00 WAT +ATOM 38769 H1 TIP3 10820 39.945 23.885 -2.223 1.00 0.00 WAT +ATOM 38770 H2 TIP3 10820 40.494 24.427 -0.896 1.00 0.00 WAT +ATOM 38771 OH2 TIP3 10821 42.066 24.331 9.384 1.00 0.00 WAT +ATOM 38772 H1 TIP3 10821 41.832 24.230 10.310 1.00 0.00 WAT +ATOM 38773 H2 TIP3 10821 42.133 25.293 9.271 1.00 0.00 WAT +ATOM 38774 OH2 TIP3 10822 35.770 23.850 3.917 1.00 0.00 WAT +ATOM 38775 H1 TIP3 10822 36.359 23.757 3.149 1.00 0.00 WAT +ATOM 38776 H2 TIP3 10822 35.905 23.003 4.373 1.00 0.00 WAT +ATOM 38777 OH2 TIP3 10823 42.872 25.746 -2.885 1.00 0.00 WAT +ATOM 38778 H1 TIP3 10823 42.595 26.642 -2.602 1.00 0.00 WAT +ATOM 38779 H2 TIP3 10823 42.113 25.217 -2.561 1.00 0.00 WAT +ATOM 38780 OH2 TIP3 10824 33.047 22.136 9.193 1.00 0.00 WAT +ATOM 38781 H1 TIP3 10824 33.196 21.690 10.050 1.00 0.00 WAT +ATOM 38782 H2 TIP3 10824 32.426 21.541 8.742 1.00 0.00 WAT +ATOM 38783 OH2 TIP3 10825 40.020 21.642 11.216 1.00 0.00 WAT +ATOM 38784 H1 TIP3 10825 39.660 21.341 10.364 1.00 0.00 WAT +ATOM 38785 H2 TIP3 10825 40.959 21.394 11.122 1.00 0.00 WAT +ATOM 38786 OH2 TIP3 10826 38.148 27.147 1.191 1.00 0.00 WAT +ATOM 38787 H1 TIP3 10826 38.580 28.009 1.067 1.00 0.00 WAT +ATOM 38788 H2 TIP3 10826 37.237 27.351 0.946 1.00 0.00 WAT +ATOM 38789 OH2 TIP3 10827 34.140 21.524 -3.950 1.00 0.00 WAT +ATOM 38790 H1 TIP3 10827 34.755 22.279 -3.924 1.00 0.00 WAT +ATOM 38791 H2 TIP3 10827 33.281 21.989 -3.943 1.00 0.00 WAT +ATOM 38792 OH2 TIP3 10828 39.941 24.824 0.775 1.00 0.00 WAT +ATOM 38793 H1 TIP3 10828 39.702 25.750 0.946 1.00 0.00 WAT +ATOM 38794 H2 TIP3 10828 39.227 24.356 1.231 1.00 0.00 WAT +ATOM 38795 OH2 TIP3 10829 40.197 29.135 7.204 1.00 0.00 WAT +ATOM 38796 H1 TIP3 10829 40.774 29.849 6.857 1.00 0.00 WAT +ATOM 38797 H2 TIP3 10829 40.842 28.608 7.695 1.00 0.00 WAT +ATOM 38798 OH2 TIP3 10830 38.596 30.045 0.423 1.00 0.00 WAT +ATOM 38799 H1 TIP3 10830 37.642 30.218 0.485 1.00 0.00 WAT +ATOM 38800 H2 TIP3 10830 38.969 30.921 0.640 1.00 0.00 WAT +ATOM 38801 OH2 TIP3 10831 34.355 16.795 8.821 1.00 0.00 WAT +ATOM 38802 H1 TIP3 10831 33.448 17.050 8.555 1.00 0.00 WAT +ATOM 38803 H2 TIP3 10831 34.203 15.914 9.207 1.00 0.00 WAT +ATOM 38804 OH2 TIP3 10832 34.121 28.544 7.209 1.00 0.00 WAT +ATOM 38805 H1 TIP3 10832 34.415 27.634 7.366 1.00 0.00 WAT +ATOM 38806 H2 TIP3 10832 34.350 28.950 8.054 1.00 0.00 WAT +ATOM 38807 OH2 TIP3 10833 39.948 27.238 -5.770 1.00 0.00 WAT +ATOM 38808 H1 TIP3 10833 40.292 26.472 -6.266 1.00 0.00 WAT +ATOM 38809 H2 TIP3 10833 39.564 26.798 -4.992 1.00 0.00 WAT +ATOM 38810 OH2 TIP3 10834 38.876 26.665 -3.014 1.00 0.00 WAT +ATOM 38811 H1 TIP3 10834 39.355 26.196 -2.319 1.00 0.00 WAT +ATOM 38812 H2 TIP3 10834 38.980 27.599 -2.738 1.00 0.00 WAT +ATOM 38813 OH2 TIP3 10835 35.652 24.092 -2.661 1.00 0.00 WAT +ATOM 38814 H1 TIP3 10835 34.896 24.501 -2.197 1.00 0.00 WAT +ATOM 38815 H2 TIP3 10835 36.105 24.881 -3.006 1.00 0.00 WAT +ATOM 38816 OH2 TIP3 10836 43.369 17.062 7.911 1.00 0.00 WAT +ATOM 38817 H1 TIP3 10836 43.874 16.276 8.132 1.00 0.00 WAT +ATOM 38818 H2 TIP3 10836 42.751 16.711 7.252 1.00 0.00 WAT +ATOM 38819 OH2 TIP3 10837 41.682 28.322 -2.507 1.00 0.00 WAT +ATOM 38820 H1 TIP3 10837 40.885 28.832 -2.280 1.00 0.00 WAT +ATOM 38821 H2 TIP3 10837 42.106 28.905 -3.145 1.00 0.00 WAT +ATOM 38822 OH2 TIP3 10838 41.376 17.966 -0.433 1.00 0.00 WAT +ATOM 38823 H1 TIP3 10838 41.998 18.675 -0.146 1.00 0.00 WAT +ATOM 38824 H2 TIP3 10838 41.024 17.737 0.447 1.00 0.00 WAT +ATOM 38825 OH2 TIP3 10839 41.626 18.923 8.764 1.00 0.00 WAT +ATOM 38826 H1 TIP3 10839 41.846 19.447 9.544 1.00 0.00 WAT +ATOM 38827 H2 TIP3 10839 42.343 18.258 8.732 1.00 0.00 WAT +ATOM 38828 OH2 TIP3 10840 41.945 15.030 0.749 1.00 0.00 WAT +ATOM 38829 H1 TIP3 10840 41.652 15.813 1.268 1.00 0.00 WAT +ATOM 38830 H2 TIP3 10840 42.714 15.378 0.263 1.00 0.00 WAT +ATOM 38831 OH2 TIP3 10841 38.939 29.390 -2.440 1.00 0.00 WAT +ATOM 38832 H1 TIP3 10841 38.910 30.197 -2.997 1.00 0.00 WAT +ATOM 38833 H2 TIP3 10841 38.816 29.760 -1.546 1.00 0.00 WAT +ATOM 38834 OH2 TIP3 10842 37.679 16.106 -2.975 1.00 0.00 WAT +ATOM 38835 H1 TIP3 10842 37.810 16.857 -2.371 1.00 0.00 WAT +ATOM 38836 H2 TIP3 10842 38.451 15.548 -2.766 1.00 0.00 WAT +ATOM 38837 OH2 TIP3 10843 36.103 26.939 -3.877 1.00 0.00 WAT +ATOM 38838 H1 TIP3 10843 36.825 27.467 -3.498 1.00 0.00 WAT +ATOM 38839 H2 TIP3 10843 36.596 26.466 -4.566 1.00 0.00 WAT +ATOM 38840 OH2 TIP3 10844 35.145 14.185 3.999 1.00 0.00 WAT +ATOM 38841 H1 TIP3 10844 34.974 14.134 3.038 1.00 0.00 WAT +ATOM 38842 H2 TIP3 10844 34.834 13.314 4.314 1.00 0.00 WAT +ATOM 38843 OH2 TIP3 10845 34.046 27.666 0.288 1.00 0.00 WAT +ATOM 38844 H1 TIP3 10845 33.271 28.196 0.518 1.00 0.00 WAT +ATOM 38845 H2 TIP3 10845 34.432 28.193 -0.429 1.00 0.00 WAT +ATOM 38846 OH2 TIP3 10846 33.457 30.586 11.421 1.00 0.00 WAT +ATOM 38847 H1 TIP3 10846 34.033 30.301 12.156 1.00 0.00 WAT +ATOM 38848 H2 TIP3 10846 33.066 29.735 11.140 1.00 0.00 WAT +ATOM 38849 OH2 TIP3 10847 38.148 29.651 13.212 1.00 0.00 WAT +ATOM 38850 H1 TIP3 10847 38.818 28.980 13.416 1.00 0.00 WAT +ATOM 38851 H2 TIP3 10847 37.898 29.391 12.309 1.00 0.00 WAT +ATOM 38852 OH2 TIP3 10848 42.308 28.882 -5.467 1.00 0.00 WAT +ATOM 38853 H1 TIP3 10848 41.468 28.380 -5.447 1.00 0.00 WAT +ATOM 38854 H2 TIP3 10848 42.927 28.143 -5.600 1.00 0.00 WAT +ATOM 38855 OH2 TIP3 10849 33.414 24.218 12.548 1.00 0.00 WAT +ATOM 38856 H1 TIP3 10849 33.504 23.311 12.211 1.00 0.00 WAT +ATOM 38857 H2 TIP3 10849 32.640 24.524 12.036 1.00 0.00 WAT +ATOM 38858 OH2 TIP3 10850 37.622 24.655 -5.426 1.00 0.00 WAT +ATOM 38859 H1 TIP3 10850 37.810 24.049 -4.690 1.00 0.00 WAT +ATOM 38860 H2 TIP3 10850 38.464 24.619 -5.914 1.00 0.00 WAT +ATOM 38861 OH2 TIP3 10851 40.083 24.430 11.868 1.00 0.00 WAT +ATOM 38862 H1 TIP3 10851 39.785 24.752 10.999 1.00 0.00 WAT +ATOM 38863 H2 TIP3 10851 40.151 23.463 11.729 1.00 0.00 WAT +ATOM 38864 OH2 TIP3 10852 42.620 25.964 -5.891 1.00 0.00 WAT +ATOM 38865 H1 TIP3 10852 42.768 26.068 -4.935 1.00 0.00 WAT +ATOM 38866 H2 TIP3 10852 42.431 25.012 -5.948 1.00 0.00 WAT +ATOM 38867 OH2 TIP3 10853 34.275 21.359 11.719 1.00 0.00 WAT +ATOM 38868 H1 TIP3 10853 35.001 20.714 11.726 1.00 0.00 WAT +ATOM 38869 H2 TIP3 10853 34.217 21.572 12.664 1.00 0.00 WAT +ATOM 38870 OH2 TIP3 10854 38.682 22.719 -3.136 1.00 0.00 WAT +ATOM 38871 H1 TIP3 10854 38.118 22.215 -2.534 1.00 0.00 WAT +ATOM 38872 H2 TIP3 10854 39.045 22.030 -3.732 1.00 0.00 WAT +ATOM 38873 OH2 TIP3 10855 37.960 20.523 9.186 1.00 0.00 WAT +ATOM 38874 H1 TIP3 10855 37.390 21.298 9.345 1.00 0.00 WAT +ATOM 38875 H2 TIP3 10855 38.525 20.838 8.462 1.00 0.00 WAT +ATOM 38876 OH2 TIP3 10856 39.771 20.743 -4.771 1.00 0.00 WAT +ATOM 38877 H1 TIP3 10856 39.669 20.761 -5.741 1.00 0.00 WAT +ATOM 38878 H2 TIP3 10856 40.736 20.827 -4.693 1.00 0.00 WAT +ATOM 38879 OH2 TIP3 10857 42.842 22.985 12.873 1.00 0.00 WAT +ATOM 38880 H1 TIP3 10857 43.538 22.673 12.287 1.00 0.00 WAT +ATOM 38881 H2 TIP3 10857 42.667 22.169 13.376 1.00 0.00 WAT +ATOM 38882 OH2 TIP3 10858 38.564 17.796 10.316 1.00 0.00 WAT +ATOM 38883 H1 TIP3 10858 38.622 17.137 9.601 1.00 0.00 WAT +ATOM 38884 H2 TIP3 10858 38.388 18.608 9.810 1.00 0.00 WAT +ATOM 38885 OH2 TIP3 10859 38.861 16.242 7.743 1.00 0.00 WAT +ATOM 38886 H1 TIP3 10859 39.365 16.807 7.120 1.00 0.00 WAT +ATOM 38887 H2 TIP3 10859 37.951 16.275 7.382 1.00 0.00 WAT +ATOM 38888 OH2 TIP3 10860 40.662 21.633 8.054 1.00 0.00 WAT +ATOM 38889 H1 TIP3 10860 41.353 21.629 7.380 1.00 0.00 WAT +ATOM 38890 H2 TIP3 10860 40.291 22.522 7.927 1.00 0.00 WAT +ATOM 38891 OH2 TIP3 10861 36.758 19.601 12.124 1.00 0.00 WAT +ATOM 38892 H1 TIP3 10861 36.206 18.799 12.084 1.00 0.00 WAT +ATOM 38893 H2 TIP3 10861 37.541 19.323 11.623 1.00 0.00 WAT +ATOM 38894 OH2 TIP3 10862 39.703 13.621 8.116 1.00 0.00 WAT +ATOM 38895 H1 TIP3 10862 39.470 14.555 7.925 1.00 0.00 WAT +ATOM 38896 H2 TIP3 10862 39.060 13.150 7.551 1.00 0.00 WAT +ATOM 38897 OH2 TIP3 10863 41.024 18.071 11.850 1.00 0.00 WAT +ATOM 38898 H1 TIP3 10863 40.636 17.824 12.704 1.00 0.00 WAT +ATOM 38899 H2 TIP3 10863 40.288 17.847 11.249 1.00 0.00 WAT +ATOM 38900 OH2 TIP3 10864 35.410 17.080 11.919 1.00 0.00 WAT +ATOM 38901 H1 TIP3 10864 35.311 16.379 11.254 1.00 0.00 WAT +ATOM 38902 H2 TIP3 10864 35.163 16.609 12.736 1.00 0.00 WAT +ATOM 38903 OH2 TIP3 10865 39.447 13.072 10.928 1.00 0.00 WAT +ATOM 38904 H1 TIP3 10865 40.062 12.326 10.951 1.00 0.00 WAT +ATOM 38905 H2 TIP3 10865 39.402 13.238 9.965 1.00 0.00 WAT +ATOM 38906 OH2 TIP3 10866 40.337 14.866 12.892 1.00 0.00 WAT +ATOM 38907 H1 TIP3 10866 40.086 14.331 12.112 1.00 0.00 WAT +ATOM 38908 H2 TIP3 10866 39.732 15.621 12.825 1.00 0.00 WAT +ATOM 38909 OH2 TIP3 10867 39.573 31.908 -3.735 1.00 0.00 WAT +ATOM 38910 H1 TIP3 10867 40.527 32.051 -3.685 1.00 0.00 WAT +ATOM 38911 H2 TIP3 10867 39.354 32.441 -4.512 1.00 0.00 WAT +ATOM 38912 OH2 TIP3 10868 33.344 26.360 -4.178 1.00 0.00 WAT +ATOM 38913 H1 TIP3 10868 34.298 26.568 -4.081 1.00 0.00 WAT +ATOM 38914 H2 TIP3 10868 33.361 25.594 -4.786 1.00 0.00 WAT +ATOM 38915 OH2 TIP3 10869 32.319 31.563 0.532 1.00 0.00 WAT +ATOM 38916 H1 TIP3 10869 31.610 31.182 -0.022 1.00 0.00 WAT +ATOM 38917 H2 TIP3 10869 32.428 30.872 1.214 1.00 0.00 WAT +ATOM 38918 OH2 TIP3 10870 32.716 29.578 2.513 1.00 0.00 WAT +ATOM 38919 H1 TIP3 10870 32.431 28.707 2.834 1.00 0.00 WAT +ATOM 38920 H2 TIP3 10870 33.075 29.940 3.339 1.00 0.00 WAT +ATOM 38921 OH2 TIP3 10871 32.802 22.920 4.909 1.00 0.00 WAT +ATOM 38922 H1 TIP3 10871 33.058 22.991 3.975 1.00 0.00 WAT +ATOM 38923 H2 TIP3 10871 33.669 22.712 5.316 1.00 0.00 WAT +ATOM 38924 OH2 TIP3 10872 32.732 18.286 11.340 1.00 0.00 WAT +ATOM 38925 H1 TIP3 10872 33.661 18.000 11.336 1.00 0.00 WAT +ATOM 38926 H2 TIP3 10872 32.266 17.432 11.378 1.00 0.00 WAT +ATOM 38927 OH2 TIP3 10873 33.486 16.598 4.086 1.00 0.00 WAT +ATOM 38928 H1 TIP3 10873 33.938 15.744 4.211 1.00 0.00 WAT +ATOM 38929 H2 TIP3 10873 34.140 17.207 4.477 1.00 0.00 WAT +ATOM 38930 OH2 TIP3 10874 32.052 19.281 5.182 1.00 0.00 WAT +ATOM 38931 H1 TIP3 10874 32.603 19.262 4.384 1.00 0.00 WAT +ATOM 38932 H2 TIP3 10874 32.395 20.066 5.628 1.00 0.00 WAT +ATOM 38933 OH2 TIP3 10875 32.450 15.920 -0.905 1.00 0.00 WAT +ATOM 38934 H1 TIP3 10875 31.508 15.696 -0.959 1.00 0.00 WAT +ATOM 38935 H2 TIP3 10875 32.607 16.266 -1.790 1.00 0.00 WAT +ATOM 38936 OH2 TIP3 10876 32.567 14.525 7.382 1.00 0.00 WAT +ATOM 38937 H1 TIP3 10876 31.851 14.236 7.965 1.00 0.00 WAT +ATOM 38938 H2 TIP3 10876 32.065 15.033 6.716 1.00 0.00 WAT +ATOM 38939 OH2 TIP3 10877 34.559 27.612 12.052 1.00 0.00 WAT +ATOM 38940 H1 TIP3 10877 33.840 27.573 11.403 1.00 0.00 WAT +ATOM 38941 H2 TIP3 10877 34.082 27.561 12.891 1.00 0.00 WAT +ATOM 38942 OH2 TIP3 10878 37.403 28.596 7.720 1.00 0.00 WAT +ATOM 38943 H1 TIP3 10878 37.096 29.447 7.361 1.00 0.00 WAT +ATOM 38944 H2 TIP3 10878 38.361 28.685 7.548 1.00 0.00 WAT +ATOM 38945 OH2 TIP3 10879 42.194 30.222 10.615 1.00 0.00 WAT +ATOM 38946 H1 TIP3 10879 42.046 29.851 11.498 1.00 0.00 WAT +ATOM 38947 H2 TIP3 10879 43.143 30.436 10.674 1.00 0.00 WAT +ATOM 38948 OH2 TIP3 10880 34.774 31.544 8.054 1.00 0.00 WAT +ATOM 38949 H1 TIP3 10880 34.184 32.170 7.598 1.00 0.00 WAT +ATOM 38950 H2 TIP3 10880 34.416 31.584 8.949 1.00 0.00 WAT +ATOM 38951 OH2 TIP3 10881 37.289 31.319 6.624 1.00 0.00 WAT +ATOM 38952 H1 TIP3 10881 36.436 31.518 7.055 1.00 0.00 WAT +ATOM 38953 H2 TIP3 10881 37.333 32.005 5.933 1.00 0.00 WAT +ATOM 38954 OH2 TIP3 10882 41.961 31.092 6.178 1.00 0.00 WAT +ATOM 38955 H1 TIP3 10882 41.788 31.563 5.347 1.00 0.00 WAT +ATOM 38956 H2 TIP3 10882 42.579 31.679 6.624 1.00 0.00 WAT +ATOM 38957 OH2 TIP3 10883 34.345 30.331 4.993 1.00 0.00 WAT +ATOM 38958 H1 TIP3 10883 34.336 29.845 5.846 1.00 0.00 WAT +ATOM 38959 H2 TIP3 10883 35.107 29.904 4.552 1.00 0.00 WAT +ATOM 38960 OH2 TIP3 10884 36.356 29.096 3.443 1.00 0.00 WAT +ATOM 38961 H1 TIP3 10884 36.217 28.161 3.699 1.00 0.00 WAT +ATOM 38962 H2 TIP3 10884 37.276 29.249 3.737 1.00 0.00 WAT +ATOM 38963 OH2 TIP3 10885 39.117 29.575 4.320 1.00 0.00 WAT +ATOM 38964 H1 TIP3 10885 39.343 28.658 4.089 1.00 0.00 WAT +ATOM 38965 H2 TIP3 10885 39.205 29.548 5.285 1.00 0.00 WAT +ATOM 38966 OH2 TIP3 10886 42.652 15.134 3.639 1.00 0.00 WAT +ATOM 38967 H1 TIP3 10886 41.818 14.649 3.776 1.00 0.00 WAT +ATOM 38968 H2 TIP3 10886 42.970 14.723 2.830 1.00 0.00 WAT +ATOM 38969 OH2 TIP3 10887 34.815 14.119 1.135 1.00 0.00 WAT +ATOM 38970 H1 TIP3 10887 33.944 13.941 0.731 1.00 0.00 WAT +ATOM 38971 H2 TIP3 10887 35.226 13.235 1.040 1.00 0.00 WAT +ATOM 38972 OH2 TIP3 10888 33.582 13.597 -2.900 1.00 0.00 WAT +ATOM 38973 H1 TIP3 10888 34.067 14.237 -3.446 1.00 0.00 WAT +ATOM 38974 H2 TIP3 10888 33.109 14.169 -2.282 1.00 0.00 WAT +ATOM 38975 OH2 TIP3 10889 39.293 14.042 1.073 1.00 0.00 WAT +ATOM 38976 H1 TIP3 10889 40.235 14.270 0.962 1.00 0.00 WAT +ATOM 38977 H2 TIP3 10889 39.269 13.866 2.021 1.00 0.00 WAT +ATOM 38978 OH2 TIP3 10890 33.787 29.606 -1.750 1.00 0.00 WAT +ATOM 38979 H1 TIP3 10890 33.184 29.478 -2.499 1.00 0.00 WAT +ATOM 38980 H2 TIP3 10890 33.798 30.574 -1.708 1.00 0.00 WAT +ATOM 38981 OH2 TIP3 10891 35.293 15.589 -4.332 1.00 0.00 WAT +ATOM 38982 H1 TIP3 10891 35.726 14.992 -4.963 1.00 0.00 WAT +ATOM 38983 H2 TIP3 10891 36.051 15.779 -3.737 1.00 0.00 WAT +ATOM 38984 OH2 TIP3 10892 40.665 15.681 -1.938 1.00 0.00 WAT +ATOM 38985 H1 TIP3 10892 40.666 15.026 -1.222 1.00 0.00 WAT +ATOM 38986 H2 TIP3 10892 40.620 16.519 -1.446 1.00 0.00 WAT +ATOM 38987 OH2 TIP3 10893 42.657 31.214 -3.657 1.00 0.00 WAT +ATOM 38988 H1 TIP3 10893 43.517 31.615 -3.872 1.00 0.00 WAT +ATOM 38989 H2 TIP3 10893 42.473 30.676 -4.446 1.00 0.00 WAT +ATOM 38990 OH2 TIP3 10894 34.596 14.401 10.728 1.00 0.00 WAT +ATOM 38991 H1 TIP3 10894 34.199 13.576 11.058 1.00 0.00 WAT +ATOM 38992 H2 TIP3 10894 35.528 14.263 10.957 1.00 0.00 WAT +ATOM 38993 OH2 TIP3 10895 37.008 13.784 12.473 1.00 0.00 WAT +ATOM 38994 H1 TIP3 10895 37.826 13.442 12.060 1.00 0.00 WAT +ATOM 38995 H2 TIP3 10895 36.631 12.971 12.845 1.00 0.00 WAT +ATOM 38996 OH2 TIP3 10896 35.200 30.511 -4.978 1.00 0.00 WAT +ATOM 38997 H1 TIP3 10896 35.015 30.867 -4.097 1.00 0.00 WAT +ATOM 38998 H2 TIP3 10896 36.009 29.992 -4.837 1.00 0.00 WAT +ATOM 38999 OH2 TIP3 10897 -31.577 42.031 1.245 1.00 0.00 WAT +ATOM 39000 H1 TIP3 10897 -31.884 42.947 1.281 1.00 0.00 WAT +ATOM 39001 H2 TIP3 10897 -32.326 41.610 0.798 1.00 0.00 WAT +ATOM 39002 OH2 TIP3 10898 -32.780 41.321 4.533 1.00 0.00 WAT +ATOM 39003 H1 TIP3 10898 -32.749 40.800 5.353 1.00 0.00 WAT +ATOM 39004 H2 TIP3 10898 -33.043 40.670 3.875 1.00 0.00 WAT +ATOM 39005 OH2 TIP3 10899 -40.212 40.744 6.103 1.00 0.00 WAT +ATOM 39006 H1 TIP3 10899 -40.331 40.059 6.784 1.00 0.00 WAT +ATOM 39007 H2 TIP3 10899 -39.663 41.380 6.577 1.00 0.00 WAT +ATOM 39008 OH2 TIP3 10900 -41.774 39.705 -0.757 1.00 0.00 WAT +ATOM 39009 H1 TIP3 10900 -42.256 40.334 -0.192 1.00 0.00 WAT +ATOM 39010 H2 TIP3 10900 -42.194 38.883 -0.494 1.00 0.00 WAT +ATOM 39011 OH2 TIP3 10901 -41.980 41.270 1.743 1.00 0.00 WAT +ATOM 39012 H1 TIP3 10901 -41.968 40.550 2.394 1.00 0.00 WAT +ATOM 39013 H2 TIP3 10901 -41.035 41.393 1.606 1.00 0.00 WAT +ATOM 39014 OH2 TIP3 10902 -25.535 35.215 5.688 1.00 0.00 WAT +ATOM 39015 H1 TIP3 10902 -25.358 35.821 6.428 1.00 0.00 WAT +ATOM 39016 H2 TIP3 10902 -24.951 35.589 5.006 1.00 0.00 WAT +ATOM 39017 OH2 TIP3 10903 -30.946 38.034 5.600 1.00 0.00 WAT +ATOM 39018 H1 TIP3 10903 -30.823 37.071 5.634 1.00 0.00 WAT +ATOM 39019 H2 TIP3 10903 -31.053 38.182 4.649 1.00 0.00 WAT +ATOM 39020 OH2 TIP3 10904 -37.976 36.049 2.657 1.00 0.00 WAT +ATOM 39021 H1 TIP3 10904 -37.855 36.909 2.206 1.00 0.00 WAT +ATOM 39022 H2 TIP3 10904 -38.342 35.523 1.919 1.00 0.00 WAT +ATOM 39023 OH2 TIP3 10905 -30.139 36.219 0.980 1.00 0.00 WAT +ATOM 39024 H1 TIP3 10905 -29.553 35.797 1.645 1.00 0.00 WAT +ATOM 39025 H2 TIP3 10905 -29.487 36.677 0.430 1.00 0.00 WAT +ATOM 39026 OH2 TIP3 10906 -41.419 38.803 3.185 1.00 0.00 WAT +ATOM 39027 H1 TIP3 10906 -40.806 38.412 3.829 1.00 0.00 WAT +ATOM 39028 H2 TIP3 10906 -41.231 38.267 2.397 1.00 0.00 WAT +ATOM 39029 OH2 TIP3 10907 -35.888 40.176 2.642 1.00 0.00 WAT +ATOM 39030 H1 TIP3 10907 -35.220 39.587 3.048 1.00 0.00 WAT +ATOM 39031 H2 TIP3 10907 -36.448 39.531 2.169 1.00 0.00 WAT +ATOM 39032 OH2 TIP3 10908 -24.888 36.574 8.193 1.00 0.00 WAT +ATOM 39033 H1 TIP3 10908 -25.451 37.316 7.902 1.00 0.00 WAT +ATOM 39034 H2 TIP3 10908 -25.011 36.625 9.151 1.00 0.00 WAT +ATOM 39035 OH2 TIP3 10909 -39.188 34.872 6.840 1.00 0.00 WAT +ATOM 39036 H1 TIP3 10909 -39.625 35.316 6.097 1.00 0.00 WAT +ATOM 39037 H2 TIP3 10909 -39.821 35.048 7.560 1.00 0.00 WAT +ATOM 39038 OH2 TIP3 10910 -36.471 42.668 6.627 1.00 0.00 WAT +ATOM 39039 H1 TIP3 10910 -37.275 43.211 6.647 1.00 0.00 WAT +ATOM 39040 H2 TIP3 10910 -35.806 43.362 6.508 1.00 0.00 WAT +ATOM 39041 OH2 TIP3 10911 -28.293 35.454 3.018 1.00 0.00 WAT +ATOM 39042 H1 TIP3 10911 -28.716 34.878 3.668 1.00 0.00 WAT +ATOM 39043 H2 TIP3 10911 -27.805 36.073 3.591 1.00 0.00 WAT +ATOM 39044 OH2 TIP3 10912 -39.568 36.899 4.749 1.00 0.00 WAT +ATOM 39045 H1 TIP3 10912 -38.941 37.496 5.203 1.00 0.00 WAT +ATOM 39046 H2 TIP3 10912 -38.990 36.541 4.040 1.00 0.00 WAT +ATOM 39047 OH2 TIP3 10913 -28.162 34.615 6.849 1.00 0.00 WAT +ATOM 39048 H1 TIP3 10913 -28.939 35.015 6.416 1.00 0.00 WAT +ATOM 39049 H2 TIP3 10913 -27.454 34.802 6.206 1.00 0.00 WAT +ATOM 39050 OH2 TIP3 10914 -35.050 32.331 3.924 1.00 0.00 WAT +ATOM 39051 H1 TIP3 10914 -35.287 31.386 3.858 1.00 0.00 WAT +ATOM 39052 H2 TIP3 10914 -35.877 32.715 4.285 1.00 0.00 WAT +ATOM 39053 OH2 TIP3 10915 -33.080 41.434 -1.344 1.00 0.00 WAT +ATOM 39054 H1 TIP3 10915 -33.730 41.783 -1.968 1.00 0.00 WAT +ATOM 39055 H2 TIP3 10915 -32.306 41.340 -1.927 1.00 0.00 WAT +ATOM 39056 OH2 TIP3 10916 -32.665 39.410 -4.154 1.00 0.00 WAT +ATOM 39057 H1 TIP3 10916 -31.935 39.790 -3.633 1.00 0.00 WAT +ATOM 39058 H2 TIP3 10916 -32.173 38.925 -4.830 1.00 0.00 WAT +ATOM 39059 OH2 TIP3 10917 -25.509 40.561 6.946 1.00 0.00 WAT +ATOM 39060 H1 TIP3 10917 -26.198 41.253 7.059 1.00 0.00 WAT +ATOM 39061 H2 TIP3 10917 -25.014 40.941 6.190 1.00 0.00 WAT +ATOM 39062 OH2 TIP3 10918 -29.354 41.397 -0.335 1.00 0.00 WAT +ATOM 39063 H1 TIP3 10918 -30.015 41.633 0.347 1.00 0.00 WAT +ATOM 39064 H2 TIP3 10918 -28.704 40.887 0.183 1.00 0.00 WAT +ATOM 39065 OH2 TIP3 10919 -29.638 39.794 8.586 1.00 0.00 WAT +ATOM 39066 H1 TIP3 10919 -29.580 40.550 9.195 1.00 0.00 WAT +ATOM 39067 H2 TIP3 10919 -30.171 40.202 7.880 1.00 0.00 WAT +ATOM 39068 OH2 TIP3 10920 -37.700 42.174 1.561 1.00 0.00 WAT +ATOM 39069 H1 TIP3 10920 -38.004 41.830 0.702 1.00 0.00 WAT +ATOM 39070 H2 TIP3 10920 -37.021 41.524 1.808 1.00 0.00 WAT +ATOM 39071 OH2 TIP3 10921 -37.296 40.736 4.968 1.00 0.00 WAT +ATOM 39072 H1 TIP3 10921 -36.694 40.773 4.200 1.00 0.00 WAT +ATOM 39073 H2 TIP3 10921 -36.952 41.446 5.549 1.00 0.00 WAT +ATOM 39074 OH2 TIP3 10922 -30.551 40.735 -2.694 1.00 0.00 WAT +ATOM 39075 H1 TIP3 10922 -29.979 41.014 -1.942 1.00 0.00 WAT +ATOM 39076 H2 TIP3 10922 -30.087 41.186 -3.447 1.00 0.00 WAT +ATOM 39077 OH2 TIP3 10923 -39.578 41.424 8.982 1.00 0.00 WAT +ATOM 39078 H1 TIP3 10923 -39.494 42.012 9.767 1.00 0.00 WAT +ATOM 39079 H2 TIP3 10923 -40.464 41.697 8.677 1.00 0.00 WAT +ATOM 39080 OH2 TIP3 10924 -27.047 32.457 -3.268 1.00 0.00 WAT +ATOM 39081 H1 TIP3 10924 -27.922 32.563 -2.851 1.00 0.00 WAT +ATOM 39082 H2 TIP3 10924 -26.695 33.361 -3.225 1.00 0.00 WAT +ATOM 39083 OH2 TIP3 10925 -38.943 40.844 -0.922 1.00 0.00 WAT +ATOM 39084 H1 TIP3 10925 -39.139 41.629 -1.471 1.00 0.00 WAT +ATOM 39085 H2 TIP3 10925 -39.723 40.286 -1.092 1.00 0.00 WAT +ATOM 39086 OH2 TIP3 10926 -42.007 42.756 7.788 1.00 0.00 WAT +ATOM 39087 H1 TIP3 10926 -42.522 43.131 7.059 1.00 0.00 WAT +ATOM 39088 H2 TIP3 10926 -42.682 42.436 8.411 1.00 0.00 WAT +ATOM 39089 OH2 TIP3 10927 -27.712 38.344 10.957 1.00 0.00 WAT +ATOM 39090 H1 TIP3 10927 -28.131 38.777 10.200 1.00 0.00 WAT +ATOM 39091 H2 TIP3 10927 -27.610 37.430 10.633 1.00 0.00 WAT +ATOM 39092 OH2 TIP3 10928 -37.482 33.476 4.824 1.00 0.00 WAT +ATOM 39093 H1 TIP3 10928 -38.307 33.390 4.311 1.00 0.00 WAT +ATOM 39094 H2 TIP3 10928 -37.713 34.224 5.396 1.00 0.00 WAT +ATOM 39095 OH2 TIP3 10929 -33.109 33.063 8.484 1.00 0.00 WAT +ATOM 39096 H1 TIP3 10929 -32.588 32.520 9.106 1.00 0.00 WAT +ATOM 39097 H2 TIP3 10929 -34.015 32.718 8.592 1.00 0.00 WAT +ATOM 39098 OH2 TIP3 10930 -29.936 36.849 8.979 1.00 0.00 WAT +ATOM 39099 H1 TIP3 10930 -30.549 36.715 9.724 1.00 0.00 WAT +ATOM 39100 H2 TIP3 10930 -29.999 37.806 8.805 1.00 0.00 WAT +ATOM 39101 OH2 TIP3 10931 -29.155 41.749 -4.755 1.00 0.00 WAT +ATOM 39102 H1 TIP3 10931 -29.215 41.592 -5.714 1.00 0.00 WAT +ATOM 39103 H2 TIP3 10931 -28.270 42.155 -4.684 1.00 0.00 WAT +ATOM 39104 OH2 TIP3 10932 -33.289 35.563 -4.263 1.00 0.00 WAT +ATOM 39105 H1 TIP3 10932 -33.798 35.448 -3.447 1.00 0.00 WAT +ATOM 39106 H2 TIP3 10932 -33.713 34.899 -4.834 1.00 0.00 WAT +ATOM 39107 OH2 TIP3 10933 -37.594 38.273 6.261 1.00 0.00 WAT +ATOM 39108 H1 TIP3 10933 -38.247 38.392 6.970 1.00 0.00 WAT +ATOM 39109 H2 TIP3 10933 -37.547 39.173 5.867 1.00 0.00 WAT +ATOM 39110 OH2 TIP3 10934 -37.688 38.329 1.107 1.00 0.00 WAT +ATOM 39111 H1 TIP3 10934 -38.648 38.309 0.934 1.00 0.00 WAT +ATOM 39112 H2 TIP3 10934 -37.347 38.176 0.206 1.00 0.00 WAT +ATOM 39113 OH2 TIP3 10935 -32.070 38.985 -0.090 1.00 0.00 WAT +ATOM 39114 H1 TIP3 10935 -32.526 39.753 -0.482 1.00 0.00 WAT +ATOM 39115 H2 TIP3 10935 -31.397 38.792 -0.767 1.00 0.00 WAT +ATOM 39116 OH2 TIP3 10936 -32.842 39.185 11.338 1.00 0.00 WAT +ATOM 39117 H1 TIP3 10936 -33.366 38.424 11.648 1.00 0.00 WAT +ATOM 39118 H2 TIP3 10936 -31.967 39.006 11.722 1.00 0.00 WAT +ATOM 39119 OH2 TIP3 10937 -31.232 38.301 2.660 1.00 0.00 WAT +ATOM 39120 H1 TIP3 10937 -31.505 38.857 1.904 1.00 0.00 WAT +ATOM 39121 H2 TIP3 10937 -30.989 37.486 2.177 1.00 0.00 WAT +ATOM 39122 OH2 TIP3 10938 -40.230 38.424 8.062 1.00 0.00 WAT +ATOM 39123 H1 TIP3 10938 -39.985 38.846 8.893 1.00 0.00 WAT +ATOM 39124 H2 TIP3 10938 -40.518 37.543 8.357 1.00 0.00 WAT +ATOM 39125 OH2 TIP3 10939 -36.857 36.002 -5.342 1.00 0.00 WAT +ATOM 39126 H1 TIP3 10939 -37.247 35.641 -4.522 1.00 0.00 WAT +ATOM 39127 H2 TIP3 10939 -37.638 36.189 -5.877 1.00 0.00 WAT +ATOM 39128 OH2 TIP3 10940 -43.180 36.019 1.742 1.00 0.00 WAT +ATOM 39129 H1 TIP3 10940 -43.048 35.750 2.668 1.00 0.00 WAT +ATOM 39130 H2 TIP3 10940 -42.817 35.279 1.252 1.00 0.00 WAT +ATOM 39131 OH2 TIP3 10941 -42.134 36.603 -2.386 1.00 0.00 WAT +ATOM 39132 H1 TIP3 10941 -41.519 36.767 -3.125 1.00 0.00 WAT +ATOM 39133 H2 TIP3 10941 -42.975 36.850 -2.796 1.00 0.00 WAT +ATOM 39134 OH2 TIP3 10942 -32.264 39.964 7.080 1.00 0.00 WAT +ATOM 39135 H1 TIP3 10942 -31.699 39.308 6.614 1.00 0.00 WAT +ATOM 39136 H2 TIP3 10942 -32.497 39.473 7.880 1.00 0.00 WAT +ATOM 39137 OH2 TIP3 10943 -34.903 35.927 2.147 1.00 0.00 WAT +ATOM 39138 H1 TIP3 10943 -35.850 35.910 2.367 1.00 0.00 WAT +ATOM 39139 H2 TIP3 10943 -34.500 35.761 3.016 1.00 0.00 WAT +ATOM 39140 OH2 TIP3 10944 -40.376 37.180 0.792 1.00 0.00 WAT +ATOM 39141 H1 TIP3 10944 -41.199 37.259 0.300 1.00 0.00 WAT +ATOM 39142 H2 TIP3 10944 -40.007 36.355 0.422 1.00 0.00 WAT +ATOM 39143 OH2 TIP3 10945 -36.707 37.475 -1.524 1.00 0.00 WAT +ATOM 39144 H1 TIP3 10945 -35.744 37.597 -1.465 1.00 0.00 WAT +ATOM 39145 H2 TIP3 10945 -36.979 38.102 -2.218 1.00 0.00 WAT +ATOM 39146 OH2 TIP3 10946 -30.514 35.067 5.160 1.00 0.00 WAT +ATOM 39147 H1 TIP3 10946 -31.154 35.084 5.904 1.00 0.00 WAT +ATOM 39148 H2 TIP3 10946 -31.094 34.733 4.454 1.00 0.00 WAT +ATOM 39149 OH2 TIP3 10947 -38.250 38.751 -3.736 1.00 0.00 WAT +ATOM 39150 H1 TIP3 10947 -38.828 38.448 -4.452 1.00 0.00 WAT +ATOM 39151 H2 TIP3 10947 -37.434 38.961 -4.223 1.00 0.00 WAT +ATOM 39152 OH2 TIP3 10948 -39.560 43.048 11.132 1.00 0.00 WAT +ATOM 39153 H1 TIP3 10948 -38.892 43.560 11.628 1.00 0.00 WAT +ATOM 39154 H2 TIP3 10948 -40.350 43.216 11.685 1.00 0.00 WAT +ATOM 39155 OH2 TIP3 10949 -33.906 38.483 3.958 1.00 0.00 WAT +ATOM 39156 H1 TIP3 10949 -33.143 38.078 3.518 1.00 0.00 WAT +ATOM 39157 H2 TIP3 10949 -34.036 37.891 4.725 1.00 0.00 WAT +ATOM 39158 OH2 TIP3 10950 -38.728 34.840 0.218 1.00 0.00 WAT +ATOM 39159 H1 TIP3 10950 -39.166 33.979 0.252 1.00 0.00 WAT +ATOM 39160 H2 TIP3 10950 -37.924 34.633 -0.280 1.00 0.00 WAT +ATOM 39161 OH2 TIP3 10951 -34.924 36.935 6.209 1.00 0.00 WAT +ATOM 39162 H1 TIP3 10951 -35.696 37.526 6.212 1.00 0.00 WAT +ATOM 39163 H2 TIP3 10951 -34.431 37.212 7.006 1.00 0.00 WAT +ATOM 39164 OH2 TIP3 10952 -35.241 43.656 -1.620 1.00 0.00 WAT +ATOM 39165 H1 TIP3 10952 -35.601 43.003 -2.252 1.00 0.00 WAT +ATOM 39166 H2 TIP3 10952 -34.670 43.151 -1.038 1.00 0.00 WAT +ATOM 39167 OH2 TIP3 10953 -27.266 42.651 6.759 1.00 0.00 WAT +ATOM 39168 H1 TIP3 10953 -27.064 43.132 5.936 1.00 0.00 WAT +ATOM 39169 H2 TIP3 10953 -28.227 42.552 6.627 1.00 0.00 WAT +ATOM 39170 OH2 TIP3 10954 -30.613 36.158 -4.126 1.00 0.00 WAT +ATOM 39171 H1 TIP3 10954 -31.596 36.137 -4.166 1.00 0.00 WAT +ATOM 39172 H2 TIP3 10954 -30.431 36.890 -3.503 1.00 0.00 WAT +ATOM 39173 OH2 TIP3 10955 -29.938 37.977 -2.044 1.00 0.00 WAT +ATOM 39174 H1 TIP3 10955 -29.051 37.820 -1.666 1.00 0.00 WAT +ATOM 39175 H2 TIP3 10955 -29.835 38.850 -2.462 1.00 0.00 WAT +ATOM 39176 OH2 TIP3 10956 -39.713 42.172 3.446 1.00 0.00 WAT +ATOM 39177 H1 TIP3 10956 -38.849 42.330 3.020 1.00 0.00 WAT +ATOM 39178 H2 TIP3 10956 -39.468 41.654 4.230 1.00 0.00 WAT +ATOM 39179 OH2 TIP3 10957 -42.890 41.069 9.715 1.00 0.00 WAT +ATOM 39180 H1 TIP3 10957 -42.337 40.484 10.258 1.00 0.00 WAT +ATOM 39181 H2 TIP3 10957 -42.987 40.560 8.877 1.00 0.00 WAT +ATOM 39182 OH2 TIP3 10958 -35.417 40.464 11.218 1.00 0.00 WAT +ATOM 39183 H1 TIP3 10958 -35.772 40.278 10.331 1.00 0.00 WAT +ATOM 39184 H2 TIP3 10958 -34.467 40.300 11.081 1.00 0.00 WAT +ATOM 39185 OH2 TIP3 10959 -25.352 37.980 -2.322 1.00 0.00 WAT +ATOM 39186 H1 TIP3 10959 -25.899 37.787 -3.110 1.00 0.00 WAT +ATOM 39187 H2 TIP3 10959 -25.228 38.937 -2.468 1.00 0.00 WAT +ATOM 39188 OH2 TIP3 10960 -29.894 41.791 5.466 1.00 0.00 WAT +ATOM 39189 H1 TIP3 10960 -30.802 41.827 5.124 1.00 0.00 WAT +ATOM 39190 H2 TIP3 10960 -29.408 41.361 4.748 1.00 0.00 WAT +ATOM 39191 OH2 TIP3 10961 -41.745 40.960 -4.125 1.00 0.00 WAT +ATOM 39192 H1 TIP3 10961 -40.950 41.336 -3.716 1.00 0.00 WAT +ATOM 39193 H2 TIP3 10961 -42.378 41.673 -3.927 1.00 0.00 WAT +ATOM 39194 OH2 TIP3 10962 -41.023 35.747 8.890 1.00 0.00 WAT +ATOM 39195 H1 TIP3 10962 -41.866 36.094 8.543 1.00 0.00 WAT +ATOM 39196 H2 TIP3 10962 -41.248 34.863 9.228 1.00 0.00 WAT +ATOM 39197 OH2 TIP3 10963 -39.579 -43.916 -2.466 1.00 0.00 WAT +ATOM 39198 H1 TIP3 10963 -40.507 -43.600 -2.423 1.00 0.00 WAT +ATOM 39199 H2 TIP3 10963 -39.122 -43.092 -2.685 1.00 0.00 WAT +ATOM 39200 OH2 TIP3 10964 -32.098 35.487 7.357 1.00 0.00 WAT +ATOM 39201 H1 TIP3 10964 -31.480 35.759 8.052 1.00 0.00 WAT +ATOM 39202 H2 TIP3 10964 -32.593 34.757 7.776 1.00 0.00 WAT +ATOM 39203 OH2 TIP3 10965 -31.453 34.916 -1.380 1.00 0.00 WAT +ATOM 39204 H1 TIP3 10965 -31.298 35.450 -2.175 1.00 0.00 WAT +ATOM 39205 H2 TIP3 10965 -31.006 35.439 -0.693 1.00 0.00 WAT +ATOM 39206 OH2 TIP3 10966 -34.027 36.912 -0.431 1.00 0.00 WAT +ATOM 39207 H1 TIP3 10966 -33.278 37.521 -0.284 1.00 0.00 WAT +ATOM 39208 H2 TIP3 10966 -34.338 36.757 0.482 1.00 0.00 WAT +ATOM 39209 OH2 TIP3 10967 -33.687 37.890 8.752 1.00 0.00 WAT +ATOM 39210 H1 TIP3 10967 -33.592 38.412 9.563 1.00 0.00 WAT +ATOM 39211 H2 TIP3 10967 -33.147 37.113 8.946 1.00 0.00 WAT +ATOM 39212 OH2 TIP3 10968 -33.458 33.934 0.515 1.00 0.00 WAT +ATOM 39213 H1 TIP3 10968 -33.667 34.639 1.158 1.00 0.00 WAT +ATOM 39214 H2 TIP3 10968 -32.735 34.350 0.003 1.00 0.00 WAT +ATOM 39215 OH2 TIP3 10969 -37.745 34.945 -2.903 1.00 0.00 WAT +ATOM 39216 H1 TIP3 10969 -37.653 35.760 -2.379 1.00 0.00 WAT +ATOM 39217 H2 TIP3 10969 -36.920 34.475 -2.668 1.00 0.00 WAT +ATOM 39218 OH2 TIP3 10970 -27.423 35.836 9.627 1.00 0.00 WAT +ATOM 39219 H1 TIP3 10970 -28.368 35.991 9.427 1.00 0.00 WAT +ATOM 39220 H2 TIP3 10970 -27.116 35.636 8.730 1.00 0.00 WAT +ATOM 39221 OH2 TIP3 10971 -28.862 39.654 3.546 1.00 0.00 WAT +ATOM 39222 H1 TIP3 10971 -29.721 39.231 3.374 1.00 0.00 WAT +ATOM 39223 H2 TIP3 10971 -28.410 38.983 4.098 1.00 0.00 WAT +ATOM 39224 OH2 TIP3 10972 -41.142 37.991 -4.799 1.00 0.00 WAT +ATOM 39225 H1 TIP3 10972 -41.118 38.907 -4.491 1.00 0.00 WAT +ATOM 39226 H2 TIP3 10972 -42.030 37.894 -5.158 1.00 0.00 WAT +ATOM 39227 OH2 TIP3 10973 -40.246 32.942 3.966 1.00 0.00 WAT +ATOM 39228 H1 TIP3 10973 -40.577 32.934 3.049 1.00 0.00 WAT +ATOM 39229 H2 TIP3 10973 -40.690 32.157 4.346 1.00 0.00 WAT +ATOM 39230 OH2 TIP3 10974 -41.984 43.458 12.230 1.00 0.00 WAT +ATOM 39231 H1 TIP3 10974 -41.952 42.494 12.219 1.00 0.00 WAT +ATOM 39232 H2 TIP3 10974 -42.933 43.616 12.388 1.00 0.00 WAT +ATOM 39233 OH2 TIP3 10975 -35.877 43.282 11.590 1.00 0.00 WAT +ATOM 39234 H1 TIP3 10975 -35.849 43.466 10.628 1.00 0.00 WAT +ATOM 39235 H2 TIP3 10975 -35.499 42.383 11.629 1.00 0.00 WAT +ATOM 39236 OH2 TIP3 10976 -29.842 -43.769 9.329 1.00 0.00 WAT +ATOM 39237 H1 TIP3 10976 -29.034 -43.318 9.038 1.00 0.00 WAT +ATOM 39238 H2 TIP3 10976 -30.510 -43.097 9.147 1.00 0.00 WAT +ATOM 39239 OH2 TIP3 10977 -41.323 40.170 11.874 1.00 0.00 WAT +ATOM 39240 H1 TIP3 10977 -40.502 39.659 11.758 1.00 0.00 WAT +ATOM 39241 H2 TIP3 10977 -41.280 40.400 12.811 1.00 0.00 WAT +ATOM 39242 OH2 TIP3 10978 -36.589 41.600 -3.115 1.00 0.00 WAT +ATOM 39243 H1 TIP3 10978 -37.292 41.217 -2.573 1.00 0.00 WAT +ATOM 39244 H2 TIP3 10978 -36.469 40.921 -3.805 1.00 0.00 WAT +ATOM 39245 OH2 TIP3 10979 -37.473 39.341 9.215 1.00 0.00 WAT +ATOM 39246 H1 TIP3 10979 -38.068 40.104 9.341 1.00 0.00 WAT +ATOM 39247 H2 TIP3 10979 -36.862 39.679 8.537 1.00 0.00 WAT +ATOM 39248 OH2 TIP3 10980 -35.786 39.557 -4.885 1.00 0.00 WAT +ATOM 39249 H1 TIP3 10980 -35.807 39.717 -5.847 1.00 0.00 WAT +ATOM 39250 H2 TIP3 10980 -34.828 39.565 -4.708 1.00 0.00 WAT +ATOM 39251 OH2 TIP3 10981 -32.208 42.151 12.715 1.00 0.00 WAT +ATOM 39252 H1 TIP3 10981 -31.317 41.991 12.380 1.00 0.00 WAT +ATOM 39253 H2 TIP3 10981 -32.497 41.278 12.986 1.00 0.00 WAT +ATOM 39254 OH2 TIP3 10982 -26.482 41.888 -5.656 1.00 0.00 WAT +ATOM 39255 H1 TIP3 10982 -26.590 41.847 -6.620 1.00 0.00 WAT +ATOM 39256 H2 TIP3 10982 -26.446 42.849 -5.470 1.00 0.00 WAT +ATOM 39257 OH2 TIP3 10983 -36.901 36.627 10.302 1.00 0.00 WAT +ATOM 39258 H1 TIP3 10983 -36.840 35.978 9.576 1.00 0.00 WAT +ATOM 39259 H2 TIP3 10983 -37.106 37.443 9.810 1.00 0.00 WAT +ATOM 39260 OH2 TIP3 10984 -36.567 35.105 7.748 1.00 0.00 WAT +ATOM 39261 H1 TIP3 10984 -36.050 35.632 7.108 1.00 0.00 WAT +ATOM 39262 H2 TIP3 10984 -37.474 35.139 7.380 1.00 0.00 WAT +ATOM 39263 OH2 TIP3 10985 -35.048 40.674 8.066 1.00 0.00 WAT +ATOM 39264 H1 TIP3 10985 -34.215 40.560 7.577 1.00 0.00 WAT +ATOM 39265 H2 TIP3 10985 -35.418 41.474 7.653 1.00 0.00 WAT +ATOM 39266 OH2 TIP3 10986 -30.384 38.272 13.082 1.00 0.00 WAT +ATOM 39267 H1 TIP3 10986 -30.051 37.406 12.817 1.00 0.00 WAT +ATOM 39268 H2 TIP3 10986 -29.576 38.806 13.013 1.00 0.00 WAT +ATOM 39269 OH2 TIP3 10987 -29.511 41.311 11.248 1.00 0.00 WAT +ATOM 39270 H1 TIP3 10987 -29.713 42.062 10.643 1.00 0.00 WAT +ATOM 39271 H2 TIP3 10987 -28.565 41.196 11.069 1.00 0.00 WAT +ATOM 39272 OH2 TIP3 10988 -38.784 38.519 12.118 1.00 0.00 WAT +ATOM 39273 H1 TIP3 10988 -39.298 37.692 12.064 1.00 0.00 WAT +ATOM 39274 H2 TIP3 10988 -37.987 38.294 11.615 1.00 0.00 WAT +ATOM 39275 OH2 TIP3 10989 -35.862 32.429 8.108 1.00 0.00 WAT +ATOM 39276 H1 TIP3 10989 -36.026 33.380 7.928 1.00 0.00 WAT +ATOM 39277 H2 TIP3 10989 -36.555 32.013 7.558 1.00 0.00 WAT +ATOM 39278 OH2 TIP3 10990 -34.569 36.969 11.876 1.00 0.00 WAT +ATOM 39279 H1 TIP3 10990 -34.983 36.847 12.745 1.00 0.00 WAT +ATOM 39280 H2 TIP3 10990 -35.352 36.823 11.303 1.00 0.00 WAT +ATOM 39281 OH2 TIP3 10991 -32.038 36.050 10.755 1.00 0.00 WAT +ATOM 39282 H1 TIP3 10991 -32.933 36.116 11.137 1.00 0.00 WAT +ATOM 39283 H2 TIP3 10991 -31.591 35.464 11.394 1.00 0.00 WAT +ATOM 39284 OH2 TIP3 10992 -30.271 34.690 12.717 1.00 0.00 WAT +ATOM 39285 H1 TIP3 10992 -30.346 33.714 12.702 1.00 0.00 WAT +ATOM 39286 H2 TIP3 10992 -30.457 34.904 13.645 1.00 0.00 WAT +ATOM 39287 OH2 TIP3 10993 -40.102 35.975 11.923 1.00 0.00 WAT +ATOM 39288 H1 TIP3 10993 -40.174 35.268 11.262 1.00 0.00 WAT +ATOM 39289 H2 TIP3 10993 -40.334 35.509 12.748 1.00 0.00 WAT +ATOM 39290 OH2 TIP3 10994 -35.993 31.919 10.909 1.00 0.00 WAT +ATOM 39291 H1 TIP3 10994 -35.407 31.145 10.932 1.00 0.00 WAT +ATOM 39292 H2 TIP3 10994 -36.053 32.070 9.943 1.00 0.00 WAT +ATOM 39293 OH2 TIP3 10995 -35.095 33.758 12.814 1.00 0.00 WAT +ATOM 39294 H1 TIP3 10995 -35.342 33.184 12.058 1.00 0.00 WAT +ATOM 39295 H2 TIP3 10995 -35.759 34.465 12.746 1.00 0.00 WAT +ATOM 39296 OH2 TIP3 10996 -25.691 43.609 -1.231 1.00 0.00 WAT +ATOM 39297 H1 TIP3 10996 -24.744 43.636 -1.419 1.00 0.00 WAT +ATOM 39298 H2 TIP3 10996 -25.831 42.753 -0.806 1.00 0.00 WAT +ATOM 39299 OH2 TIP3 10997 -25.264 41.274 0.414 1.00 0.00 WAT +ATOM 39300 H1 TIP3 10997 -26.090 40.878 0.759 1.00 0.00 WAT +ATOM 39301 H2 TIP3 10997 -24.820 41.570 1.222 1.00 0.00 WAT +ATOM 39302 OH2 TIP3 10998 -25.142 40.926 -3.082 1.00 0.00 WAT +ATOM 39303 H1 TIP3 10998 -25.757 41.153 -3.805 1.00 0.00 WAT +ATOM 39304 H2 TIP3 10998 -25.256 41.687 -2.500 1.00 0.00 WAT +ATOM 39305 OH2 TIP3 10999 -26.846 38.424 -4.752 1.00 0.00 WAT +ATOM 39306 H1 TIP3 10999 -26.663 39.071 -5.449 1.00 0.00 WAT +ATOM 39307 H2 TIP3 10999 -27.093 37.625 -5.258 1.00 0.00 WAT +ATOM 39308 OH2 TIP3 11000 -27.556 39.659 1.133 1.00 0.00 WAT +ATOM 39309 H1 TIP3 11000 -27.592 38.699 0.993 1.00 0.00 WAT +ATOM 39310 H2 TIP3 11000 -27.926 39.739 2.040 1.00 0.00 WAT +ATOM 39311 OH2 TIP3 11001 -42.486 42.094 4.986 1.00 0.00 WAT +ATOM 39312 H1 TIP3 11001 -42.290 41.845 4.075 1.00 0.00 WAT +ATOM 39313 H2 TIP3 11001 -41.766 41.657 5.485 1.00 0.00 WAT +ATOM 39314 OH2 TIP3 11002 -26.548 41.514 10.052 1.00 0.00 WAT +ATOM 39315 H1 TIP3 11002 -25.999 41.027 10.694 1.00 0.00 WAT +ATOM 39316 H2 TIP3 11002 -26.352 42.451 10.231 1.00 0.00 WAT +ATOM 39317 OH2 TIP3 11003 -25.368 39.688 11.650 1.00 0.00 WAT +ATOM 39318 H1 TIP3 11003 -26.069 39.087 11.330 1.00 0.00 WAT +ATOM 39319 H2 TIP3 11003 -24.597 39.100 11.694 1.00 0.00 WAT +ATOM 39320 OH2 TIP3 11004 -27.397 35.778 -5.572 1.00 0.00 WAT +ATOM 39321 H1 TIP3 11004 -26.828 35.288 -4.953 1.00 0.00 WAT +ATOM 39322 H2 TIP3 11004 -28.208 35.249 -5.614 1.00 0.00 WAT +ATOM 39323 OH2 TIP3 11005 -27.575 37.063 -0.594 1.00 0.00 WAT +ATOM 39324 H1 TIP3 11005 -27.337 36.112 -0.555 1.00 0.00 WAT +ATOM 39325 H2 TIP3 11005 -26.775 37.425 -1.014 1.00 0.00 WAT +ATOM 39326 OH2 TIP3 11006 -27.365 37.640 4.831 1.00 0.00 WAT +ATOM 39327 H1 TIP3 11006 -26.399 37.793 4.820 1.00 0.00 WAT +ATOM 39328 H2 TIP3 11006 -27.533 37.716 5.787 1.00 0.00 WAT +ATOM 39329 OH2 TIP3 11007 -27.200 38.382 7.646 1.00 0.00 WAT +ATOM 39330 H1 TIP3 11007 -28.059 38.772 7.893 1.00 0.00 WAT +ATOM 39331 H2 TIP3 11007 -26.674 39.184 7.450 1.00 0.00 WAT +ATOM 39332 OH2 TIP3 11008 -42.866 37.088 11.262 1.00 0.00 WAT +ATOM 39333 H1 TIP3 11008 -41.998 36.664 11.201 1.00 0.00 WAT +ATOM 39334 H2 TIP3 11008 -43.475 36.354 11.430 1.00 0.00 WAT +ATOM 39335 OH2 TIP3 11009 -24.669 32.486 12.935 1.00 0.00 WAT +ATOM 39336 H1 TIP3 11009 -24.220 31.815 12.384 1.00 0.00 WAT +ATOM 39337 H2 TIP3 11009 -24.623 33.274 12.358 1.00 0.00 WAT +ATOM 39338 OH2 TIP3 11010 -27.124 34.269 -0.637 1.00 0.00 WAT +ATOM 39339 H1 TIP3 11010 -27.022 33.941 0.274 1.00 0.00 WAT +ATOM 39340 H2 TIP3 11010 -27.921 33.780 -0.928 1.00 0.00 WAT +ATOM 39341 OH2 TIP3 11011 -41.956 35.536 4.488 1.00 0.00 WAT +ATOM 39342 H1 TIP3 11011 -41.581 34.650 4.390 1.00 0.00 WAT +ATOM 39343 H2 TIP3 11011 -41.165 36.094 4.602 1.00 0.00 WAT +ATOM 39344 OH2 TIP3 11012 -43.284 38.173 5.299 1.00 0.00 WAT +ATOM 39345 H1 TIP3 11012 -42.949 37.668 4.545 1.00 0.00 WAT +ATOM 39346 H2 TIP3 11012 -43.113 39.078 5.013 1.00 0.00 WAT +ATOM 39347 OH2 TIP3 11013 -25.269 34.550 11.195 1.00 0.00 WAT +ATOM 39348 H1 TIP3 11013 -26.132 35.002 11.218 1.00 0.00 WAT +ATOM 39349 H2 TIP3 11013 -25.380 34.017 10.387 1.00 0.00 WAT +ATOM 39350 OH2 TIP3 11014 -25.164 34.747 -3.960 1.00 0.00 WAT +ATOM 39351 H1 TIP3 11014 -24.838 33.954 -4.419 1.00 0.00 WAT +ATOM 39352 H2 TIP3 11014 -24.357 35.282 -3.886 1.00 0.00 WAT +ATOM 39353 OH2 TIP3 11015 -43.161 34.315 -1.222 1.00 0.00 WAT +ATOM 39354 H1 TIP3 11015 -43.999 34.567 -1.640 1.00 0.00 WAT +ATOM 39355 H2 TIP3 11015 -42.578 35.034 -1.550 1.00 0.00 WAT +ATOM 39356 OH2 TIP3 11016 -42.908 33.283 7.151 1.00 0.00 WAT +ATOM 39357 H1 TIP3 11016 -43.603 33.190 7.845 1.00 0.00 WAT +ATOM 39358 H2 TIP3 11016 -43.349 33.743 6.421 1.00 0.00 WAT +ATOM 39359 OH2 TIP3 11017 -26.415 32.792 9.174 1.00 0.00 WAT +ATOM 39360 H1 TIP3 11017 -27.196 33.006 8.634 1.00 0.00 WAT +ATOM 39361 H2 TIP3 11017 -26.183 31.902 8.834 1.00 0.00 WAT +ATOM 39362 OH2 TIP3 11018 -32.960 34.290 3.647 1.00 0.00 WAT +ATOM 39363 H1 TIP3 11018 -33.662 33.623 3.774 1.00 0.00 WAT +ATOM 39364 H2 TIP3 11018 -32.376 33.844 3.014 1.00 0.00 WAT +ATOM 39365 OH2 TIP3 11019 -28.020 32.322 4.093 1.00 0.00 WAT +ATOM 39366 H1 TIP3 11019 -27.258 32.765 3.680 1.00 0.00 WAT +ATOM 39367 H2 TIP3 11019 -28.760 32.614 3.535 1.00 0.00 WAT +ATOM 39368 OH2 TIP3 11020 -25.937 33.423 1.951 1.00 0.00 WAT +ATOM 39369 H1 TIP3 11020 -25.219 33.007 1.439 1.00 0.00 WAT +ATOM 39370 H2 TIP3 11020 -25.619 34.341 2.041 1.00 0.00 WAT +ATOM 39371 OH2 TIP3 11021 -41.064 32.875 1.166 1.00 0.00 WAT +ATOM 39372 H1 TIP3 11021 -41.801 32.609 0.600 1.00 0.00 WAT +ATOM 39373 H2 TIP3 11021 -40.457 32.121 1.051 1.00 0.00 WAT +ATOM 39374 OH2 TIP3 11022 -41.803 32.487 -3.024 1.00 0.00 WAT +ATOM 39375 H1 TIP3 11022 -41.307 33.162 -3.529 1.00 0.00 WAT +ATOM 39376 H2 TIP3 11022 -42.342 33.046 -2.437 1.00 0.00 WAT +ATOM 39377 OH2 TIP3 11023 -36.143 32.823 1.060 1.00 0.00 WAT +ATOM 39378 H1 TIP3 11023 -35.235 33.141 0.923 1.00 0.00 WAT +ATOM 39379 H2 TIP3 11023 -36.174 32.753 2.021 1.00 0.00 WAT +ATOM 39380 OH2 TIP3 11024 -30.539 32.878 2.471 1.00 0.00 WAT +ATOM 39381 H1 TIP3 11024 -30.296 32.724 1.549 1.00 0.00 WAT +ATOM 39382 H2 TIP3 11024 -30.940 32.023 2.716 1.00 0.00 WAT +ATOM 39383 OH2 TIP3 11025 -29.440 32.878 -1.544 1.00 0.00 WAT +ATOM 39384 H1 TIP3 11025 -30.259 33.396 -1.673 1.00 0.00 WAT +ATOM 39385 H2 TIP3 11025 -29.802 31.984 -1.421 1.00 0.00 WAT +ATOM 39386 OH2 TIP3 11026 -40.061 34.367 -4.477 1.00 0.00 WAT +ATOM 39387 H1 TIP3 11026 -39.486 33.796 -5.014 1.00 0.00 WAT +ATOM 39388 H2 TIP3 11026 -39.435 34.664 -3.788 1.00 0.00 WAT +ATOM 39389 OH2 TIP3 11027 -34.994 34.508 -1.888 1.00 0.00 WAT +ATOM 39390 H1 TIP3 11027 -34.649 33.936 -1.185 1.00 0.00 WAT +ATOM 39391 H2 TIP3 11027 -34.789 35.380 -1.515 1.00 0.00 WAT +ATOM 39392 OH2 TIP3 11028 -40.801 33.272 10.690 1.00 0.00 WAT +ATOM 39393 H1 TIP3 11028 -41.251 32.507 11.086 1.00 0.00 WAT +ATOM 39394 H2 TIP3 11028 -39.884 33.123 10.973 1.00 0.00 WAT +ATOM 39395 OH2 TIP3 11029 -38.409 32.650 12.481 1.00 0.00 WAT +ATOM 39396 H1 TIP3 11029 -37.614 32.280 12.046 1.00 0.00 WAT +ATOM 39397 H2 TIP3 11029 -38.795 31.854 12.889 1.00 0.00 WAT +ATOM 39398 OH2 TIP3 11030 -30.293 31.864 12.672 1.00 0.00 WAT +ATOM 39399 H1 TIP3 11030 -30.223 31.389 13.521 1.00 0.00 WAT +ATOM 39400 H2 TIP3 11030 -29.376 31.791 12.344 1.00 0.00 WAT +ATOM 39401 OH2 TIP3 11031 -12.748 42.015 1.282 1.00 0.00 WAT +ATOM 39402 H1 TIP3 11031 -13.022 42.942 1.286 1.00 0.00 WAT +ATOM 39403 H2 TIP3 11031 -13.456 41.622 0.749 1.00 0.00 WAT +ATOM 39404 OH2 TIP3 11032 -14.125 41.331 4.567 1.00 0.00 WAT +ATOM 39405 H1 TIP3 11032 -13.894 40.807 5.352 1.00 0.00 WAT +ATOM 39406 H2 TIP3 11032 -14.127 40.676 3.859 1.00 0.00 WAT +ATOM 39407 OH2 TIP3 11033 -20.827 40.599 5.976 1.00 0.00 WAT +ATOM 39408 H1 TIP3 11033 -21.194 39.988 6.649 1.00 0.00 WAT +ATOM 39409 H2 TIP3 11033 -20.613 41.352 6.556 1.00 0.00 WAT +ATOM 39410 OH2 TIP3 11034 -23.780 38.893 0.120 1.00 0.00 WAT +ATOM 39411 H1 TIP3 11034 -24.267 39.739 0.130 1.00 0.00 WAT +ATOM 39412 H2 TIP3 11034 -24.429 38.312 -0.295 1.00 0.00 WAT +ATOM 39413 OH2 TIP3 11035 -22.604 41.390 2.104 1.00 0.00 WAT +ATOM 39414 H1 TIP3 11035 -22.786 40.520 2.511 1.00 0.00 WAT +ATOM 39415 H2 TIP3 11035 -22.098 41.110 1.331 1.00 0.00 WAT +ATOM 39416 OH2 TIP3 11036 -6.753 35.235 5.714 1.00 0.00 WAT +ATOM 39417 H1 TIP3 11036 -6.495 35.838 6.432 1.00 0.00 WAT +ATOM 39418 H2 TIP3 11036 -6.132 35.513 5.015 1.00 0.00 WAT +ATOM 39419 OH2 TIP3 11037 -12.125 38.036 5.582 1.00 0.00 WAT +ATOM 39420 H1 TIP3 11037 -11.962 37.080 5.640 1.00 0.00 WAT +ATOM 39421 H2 TIP3 11037 -12.219 38.156 4.624 1.00 0.00 WAT +ATOM 39422 OH2 TIP3 11038 -19.167 36.107 2.745 1.00 0.00 WAT +ATOM 39423 H1 TIP3 11038 -19.012 36.888 2.181 1.00 0.00 WAT +ATOM 39424 H2 TIP3 11038 -19.525 35.494 2.073 1.00 0.00 WAT +ATOM 39425 OH2 TIP3 11039 -11.279 36.241 1.016 1.00 0.00 WAT +ATOM 39426 H1 TIP3 11039 -10.679 35.822 1.671 1.00 0.00 WAT +ATOM 39427 H2 TIP3 11039 -10.637 36.676 0.437 1.00 0.00 WAT +ATOM 39428 OH2 TIP3 11040 -22.261 38.781 3.184 1.00 0.00 WAT +ATOM 39429 H1 TIP3 11040 -21.856 38.150 3.799 1.00 0.00 WAT +ATOM 39430 H2 TIP3 11040 -22.274 38.262 2.357 1.00 0.00 WAT +ATOM 39431 OH2 TIP3 11041 -6.002 36.607 8.205 1.00 0.00 WAT +ATOM 39432 H1 TIP3 11041 -6.595 37.322 7.907 1.00 0.00 WAT +ATOM 39433 H2 TIP3 11041 -6.240 36.559 9.141 1.00 0.00 WAT +ATOM 39434 OH2 TIP3 11042 -20.317 34.849 6.834 1.00 0.00 WAT +ATOM 39435 H1 TIP3 11042 -20.726 35.379 6.137 1.00 0.00 WAT +ATOM 39436 H2 TIP3 11042 -20.981 34.958 7.549 1.00 0.00 WAT +ATOM 39437 OH2 TIP3 11043 -17.952 42.616 6.503 1.00 0.00 WAT +ATOM 39438 H1 TIP3 11043 -18.698 43.228 6.368 1.00 0.00 WAT +ATOM 39439 H2 TIP3 11043 -17.220 43.233 6.387 1.00 0.00 WAT +ATOM 39440 OH2 TIP3 11044 -9.469 35.425 3.032 1.00 0.00 WAT +ATOM 39441 H1 TIP3 11044 -9.842 34.853 3.714 1.00 0.00 WAT +ATOM 39442 H2 TIP3 11044 -8.926 36.033 3.564 1.00 0.00 WAT +ATOM 39443 OH2 TIP3 11045 -20.530 37.038 4.923 1.00 0.00 WAT +ATOM 39444 H1 TIP3 11045 -19.892 37.503 5.480 1.00 0.00 WAT +ATOM 39445 H2 TIP3 11045 -19.972 36.646 4.211 1.00 0.00 WAT +ATOM 39446 OH2 TIP3 11046 -9.322 34.607 6.870 1.00 0.00 WAT +ATOM 39447 H1 TIP3 11046 -10.089 35.005 6.419 1.00 0.00 WAT +ATOM 39448 H2 TIP3 11046 -8.594 34.795 6.249 1.00 0.00 WAT +ATOM 39449 OH2 TIP3 11047 -16.198 32.247 3.921 1.00 0.00 WAT +ATOM 39450 H1 TIP3 11047 -16.423 31.297 3.929 1.00 0.00 WAT +ATOM 39451 H2 TIP3 11047 -17.013 32.643 4.291 1.00 0.00 WAT +ATOM 39452 OH2 TIP3 11048 -14.209 41.437 -1.331 1.00 0.00 WAT +ATOM 39453 H1 TIP3 11048 -14.876 41.761 -1.949 1.00 0.00 WAT +ATOM 39454 H2 TIP3 11048 -13.446 41.330 -1.928 1.00 0.00 WAT +ATOM 39455 OH2 TIP3 11049 -13.814 39.409 -4.146 1.00 0.00 WAT +ATOM 39456 H1 TIP3 11049 -13.077 39.791 -3.636 1.00 0.00 WAT +ATOM 39457 H2 TIP3 11049 -13.330 38.925 -4.829 1.00 0.00 WAT +ATOM 39458 OH2 TIP3 11050 -6.693 40.555 6.905 1.00 0.00 WAT +ATOM 39459 H1 TIP3 11050 -7.354 41.272 7.022 1.00 0.00 WAT +ATOM 39460 H2 TIP3 11050 -6.185 40.938 6.159 1.00 0.00 WAT +ATOM 39461 OH2 TIP3 11051 -10.505 41.391 -0.329 1.00 0.00 WAT +ATOM 39462 H1 TIP3 11051 -11.151 41.622 0.364 1.00 0.00 WAT +ATOM 39463 H2 TIP3 11051 -9.837 40.888 0.174 1.00 0.00 WAT +ATOM 39464 OH2 TIP3 11052 -10.778 39.807 8.594 1.00 0.00 WAT +ATOM 39465 H1 TIP3 11052 -10.746 40.569 9.194 1.00 0.00 WAT +ATOM 39466 H2 TIP3 11052 -11.312 40.193 7.877 1.00 0.00 WAT +ATOM 39467 OH2 TIP3 11053 -18.835 41.576 1.791 1.00 0.00 WAT +ATOM 39468 H1 TIP3 11053 -19.120 41.846 0.895 1.00 0.00 WAT +ATOM 39469 H2 TIP3 11053 -17.964 41.236 1.563 1.00 0.00 WAT +ATOM 39470 OH2 TIP3 11054 -11.705 40.745 -2.691 1.00 0.00 WAT +ATOM 39471 H1 TIP3 11054 -11.121 41.012 -1.944 1.00 0.00 WAT +ATOM 39472 H2 TIP3 11054 -11.237 41.187 -3.447 1.00 0.00 WAT +ATOM 39473 OH2 TIP3 11055 -20.620 41.495 8.858 1.00 0.00 WAT +ATOM 39474 H1 TIP3 11055 -20.508 42.143 9.593 1.00 0.00 WAT +ATOM 39475 H2 TIP3 11055 -21.586 41.382 8.917 1.00 0.00 WAT +ATOM 39476 OH2 TIP3 11056 -8.178 32.461 -3.289 1.00 0.00 WAT +ATOM 39477 H1 TIP3 11056 -9.029 32.519 -2.819 1.00 0.00 WAT +ATOM 39478 H2 TIP3 11056 -7.831 33.362 -3.184 1.00 0.00 WAT +ATOM 39479 OH2 TIP3 11057 -20.183 40.891 -0.782 1.00 0.00 WAT +ATOM 39480 H1 TIP3 11057 -20.238 41.653 -1.395 1.00 0.00 WAT +ATOM 39481 H2 TIP3 11057 -20.680 40.213 -1.255 1.00 0.00 WAT +ATOM 39482 OH2 TIP3 11058 -23.637 43.061 7.745 1.00 0.00 WAT +ATOM 39483 H1 TIP3 11058 -24.323 42.990 7.072 1.00 0.00 WAT +ATOM 39484 H2 TIP3 11058 -23.792 42.284 8.312 1.00 0.00 WAT +ATOM 39485 OH2 TIP3 11059 -8.786 38.378 10.929 1.00 0.00 WAT +ATOM 39486 H1 TIP3 11059 -9.286 38.752 10.191 1.00 0.00 WAT +ATOM 39487 H2 TIP3 11059 -8.729 37.440 10.663 1.00 0.00 WAT +ATOM 39488 OH2 TIP3 11060 -18.626 33.424 4.886 1.00 0.00 WAT +ATOM 39489 H1 TIP3 11060 -19.445 33.295 4.376 1.00 0.00 WAT +ATOM 39490 H2 TIP3 11060 -18.923 34.108 5.504 1.00 0.00 WAT +ATOM 39491 OH2 TIP3 11061 -14.273 33.078 8.484 1.00 0.00 WAT +ATOM 39492 H1 TIP3 11061 -13.740 32.523 9.087 1.00 0.00 WAT +ATOM 39493 H2 TIP3 11061 -15.171 32.711 8.594 1.00 0.00 WAT +ATOM 39494 OH2 TIP3 11062 -11.102 36.850 8.962 1.00 0.00 WAT +ATOM 39495 H1 TIP3 11062 -11.702 36.688 9.714 1.00 0.00 WAT +ATOM 39496 H2 TIP3 11062 -11.171 37.810 8.823 1.00 0.00 WAT +ATOM 39497 OH2 TIP3 11063 -10.300 41.741 -4.750 1.00 0.00 WAT +ATOM 39498 H1 TIP3 11063 -10.365 41.594 -5.710 1.00 0.00 WAT +ATOM 39499 H2 TIP3 11063 -9.418 42.156 -4.680 1.00 0.00 WAT +ATOM 39500 OH2 TIP3 11064 -14.445 35.570 -4.266 1.00 0.00 WAT +ATOM 39501 H1 TIP3 11064 -14.934 35.425 -3.444 1.00 0.00 WAT +ATOM 39502 H2 TIP3 11064 -14.839 34.879 -4.828 1.00 0.00 WAT +ATOM 39503 OH2 TIP3 11065 -18.764 38.543 1.407 1.00 0.00 WAT +ATOM 39504 H1 TIP3 11065 -19.669 38.481 1.054 1.00 0.00 WAT +ATOM 39505 H2 TIP3 11065 -18.259 38.406 0.584 1.00 0.00 WAT +ATOM 39506 OH2 TIP3 11066 -13.209 38.990 -0.086 1.00 0.00 WAT +ATOM 39507 H1 TIP3 11066 -13.660 39.748 -0.501 1.00 0.00 WAT +ATOM 39508 H2 TIP3 11066 -12.527 38.782 -0.750 1.00 0.00 WAT +ATOM 39509 OH2 TIP3 11067 -14.026 39.208 11.304 1.00 0.00 WAT +ATOM 39510 H1 TIP3 11067 -14.525 38.434 11.631 1.00 0.00 WAT +ATOM 39511 H2 TIP3 11067 -13.138 39.042 11.675 1.00 0.00 WAT +ATOM 39512 OH2 TIP3 11068 -12.463 38.329 2.689 1.00 0.00 WAT +ATOM 39513 H1 TIP3 11068 -12.688 38.862 1.902 1.00 0.00 WAT +ATOM 39514 H2 TIP3 11068 -12.199 37.500 2.243 1.00 0.00 WAT +ATOM 39515 OH2 TIP3 11069 -21.382 38.387 7.907 1.00 0.00 WAT +ATOM 39516 H1 TIP3 11069 -21.130 38.823 8.731 1.00 0.00 WAT +ATOM 39517 H2 TIP3 11069 -21.694 37.525 8.227 1.00 0.00 WAT +ATOM 39518 OH2 TIP3 11070 -18.003 36.030 -5.355 1.00 0.00 WAT +ATOM 39519 H1 TIP3 11070 -18.377 35.659 -4.531 1.00 0.00 WAT +ATOM 39520 H2 TIP3 11070 -18.789 36.177 -5.895 1.00 0.00 WAT +ATOM 39521 OH2 TIP3 11071 -24.502 35.941 1.728 1.00 0.00 WAT +ATOM 39522 H1 TIP3 11071 -23.878 35.870 2.473 1.00 0.00 WAT +ATOM 39523 H2 TIP3 11071 -24.042 35.501 0.996 1.00 0.00 WAT +ATOM 39524 OH2 TIP3 11072 -22.981 36.334 -2.574 1.00 0.00 WAT +ATOM 39525 H1 TIP3 11072 -22.442 36.813 -3.239 1.00 0.00 WAT +ATOM 39526 H2 TIP3 11072 -23.684 36.986 -2.411 1.00 0.00 WAT +ATOM 39527 OH2 TIP3 11073 -13.404 39.967 7.090 1.00 0.00 WAT +ATOM 39528 H1 TIP3 11073 -12.849 39.302 6.624 1.00 0.00 WAT +ATOM 39529 H2 TIP3 11073 -13.649 39.470 7.885 1.00 0.00 WAT +ATOM 39530 OH2 TIP3 11074 -16.082 35.929 2.125 1.00 0.00 WAT +ATOM 39531 H1 TIP3 11074 -17.018 35.822 2.359 1.00 0.00 WAT +ATOM 39532 H2 TIP3 11074 -15.641 35.721 2.966 1.00 0.00 WAT +ATOM 39533 OH2 TIP3 11075 -21.416 37.242 0.816 1.00 0.00 WAT +ATOM 39534 H1 TIP3 11075 -22.235 37.468 0.344 1.00 0.00 WAT +ATOM 39535 H2 TIP3 11075 -21.099 36.449 0.342 1.00 0.00 WAT +ATOM 39536 OH2 TIP3 11076 -17.868 37.599 -1.404 1.00 0.00 WAT +ATOM 39537 H1 TIP3 11076 -16.897 37.573 -1.447 1.00 0.00 WAT +ATOM 39538 H2 TIP3 11076 -18.127 38.083 -2.207 1.00 0.00 WAT +ATOM 39539 OH2 TIP3 11077 -11.673 35.080 5.161 1.00 0.00 WAT +ATOM 39540 H1 TIP3 11077 -12.312 35.067 5.904 1.00 0.00 WAT +ATOM 39541 H2 TIP3 11077 -12.244 34.742 4.451 1.00 0.00 WAT +ATOM 39542 OH2 TIP3 11078 -19.392 38.742 -3.706 1.00 0.00 WAT +ATOM 39543 H1 TIP3 11078 -19.965 38.448 -4.431 1.00 0.00 WAT +ATOM 39544 H2 TIP3 11078 -18.584 38.975 -4.199 1.00 0.00 WAT +ATOM 39545 OH2 TIP3 11079 -20.706 43.251 10.899 1.00 0.00 WAT +ATOM 39546 H1 TIP3 11079 -20.099 43.665 11.538 1.00 0.00 WAT +ATOM 39547 H2 TIP3 11079 -21.336 42.803 11.514 1.00 0.00 WAT +ATOM 39548 OH2 TIP3 11080 -15.323 38.666 3.778 1.00 0.00 WAT +ATOM 39549 H1 TIP3 11080 -14.548 38.280 3.344 1.00 0.00 WAT +ATOM 39550 H2 TIP3 11080 -15.400 38.133 4.585 1.00 0.00 WAT +ATOM 39551 OH2 TIP3 11081 -19.730 34.904 0.184 1.00 0.00 WAT +ATOM 39552 H1 TIP3 11081 -20.281 34.111 0.298 1.00 0.00 WAT +ATOM 39553 H2 TIP3 11081 -18.932 34.537 -0.225 1.00 0.00 WAT +ATOM 39554 OH2 TIP3 11082 -16.469 37.314 6.274 1.00 0.00 WAT +ATOM 39555 H1 TIP3 11082 -17.154 37.731 6.804 1.00 0.00 WAT +ATOM 39556 H2 TIP3 11082 -15.716 37.372 6.895 1.00 0.00 WAT +ATOM 39557 OH2 TIP3 11083 -16.488 43.615 -1.572 1.00 0.00 WAT +ATOM 39558 H1 TIP3 11083 -16.656 43.042 -2.339 1.00 0.00 WAT +ATOM 39559 H2 TIP3 11083 -15.723 43.254 -1.121 1.00 0.00 WAT +ATOM 39560 OH2 TIP3 11084 -8.441 42.665 6.782 1.00 0.00 WAT +ATOM 39561 H1 TIP3 11084 -8.193 43.120 5.957 1.00 0.00 WAT +ATOM 39562 H2 TIP3 11084 -9.394 42.563 6.603 1.00 0.00 WAT +ATOM 39563 OH2 TIP3 11085 -11.764 36.155 -4.115 1.00 0.00 WAT +ATOM 39564 H1 TIP3 11085 -12.747 36.137 -4.164 1.00 0.00 WAT +ATOM 39565 H2 TIP3 11085 -11.584 36.893 -3.500 1.00 0.00 WAT +ATOM 39566 OH2 TIP3 11086 -11.085 37.982 -2.034 1.00 0.00 WAT +ATOM 39567 H1 TIP3 11086 -10.197 37.816 -1.662 1.00 0.00 WAT +ATOM 39568 H2 TIP3 11086 -10.971 38.846 -2.468 1.00 0.00 WAT +ATOM 39569 OH2 TIP3 11087 -20.065 42.449 4.025 1.00 0.00 WAT +ATOM 39570 H1 TIP3 11087 -19.799 42.394 3.083 1.00 0.00 WAT +ATOM 39571 H2 TIP3 11087 -20.762 41.790 4.127 1.00 0.00 WAT +ATOM 39572 OH2 TIP3 11088 -23.400 40.728 9.290 1.00 0.00 WAT +ATOM 39573 H1 TIP3 11088 -23.433 40.555 10.247 1.00 0.00 WAT +ATOM 39574 H2 TIP3 11088 -24.212 40.314 8.961 1.00 0.00 WAT +ATOM 39575 OH2 TIP3 11089 -16.568 40.525 11.158 1.00 0.00 WAT +ATOM 39576 H1 TIP3 11089 -16.906 40.251 10.292 1.00 0.00 WAT +ATOM 39577 H2 TIP3 11089 -15.631 40.268 11.097 1.00 0.00 WAT +ATOM 39578 OH2 TIP3 11090 -6.503 37.976 -2.324 1.00 0.00 WAT +ATOM 39579 H1 TIP3 11090 -7.050 37.789 -3.114 1.00 0.00 WAT +ATOM 39580 H2 TIP3 11090 -6.372 38.934 -2.465 1.00 0.00 WAT +ATOM 39581 OH2 TIP3 11091 -11.028 41.777 5.482 1.00 0.00 WAT +ATOM 39582 H1 TIP3 11091 -11.920 41.846 5.118 1.00 0.00 WAT +ATOM 39583 H2 TIP3 11091 -10.528 41.363 4.761 1.00 0.00 WAT +ATOM 39584 OH2 TIP3 11092 -22.477 40.935 -4.270 1.00 0.00 WAT +ATOM 39585 H1 TIP3 11092 -21.885 41.552 -3.812 1.00 0.00 WAT +ATOM 39586 H2 TIP3 11092 -23.330 41.127 -3.832 1.00 0.00 WAT +ATOM 39587 OH2 TIP3 11093 -22.207 35.629 8.800 1.00 0.00 WAT +ATOM 39588 H1 TIP3 11093 -23.114 35.899 8.561 1.00 0.00 WAT +ATOM 39589 H2 TIP3 11093 -22.365 34.771 9.232 1.00 0.00 WAT +ATOM 39590 OH2 TIP3 11094 -20.723 -43.879 -2.413 1.00 0.00 WAT +ATOM 39591 H1 TIP3 11094 -21.625 -43.515 -2.303 1.00 0.00 WAT +ATOM 39592 H2 TIP3 11094 -20.243 -43.078 -2.677 1.00 0.00 WAT +ATOM 39593 OH2 TIP3 11095 -13.329 35.503 7.341 1.00 0.00 WAT +ATOM 39594 H1 TIP3 11095 -12.684 35.785 8.007 1.00 0.00 WAT +ATOM 39595 H2 TIP3 11095 -13.757 34.734 7.773 1.00 0.00 WAT +ATOM 39596 OH2 TIP3 11096 -12.635 34.947 -1.376 1.00 0.00 WAT +ATOM 39597 H1 TIP3 11096 -12.436 35.443 -2.186 1.00 0.00 WAT +ATOM 39598 H2 TIP3 11096 -12.131 35.435 -0.706 1.00 0.00 WAT +ATOM 39599 OH2 TIP3 11097 -15.197 36.917 -0.446 1.00 0.00 WAT +ATOM 39600 H1 TIP3 11097 -14.428 37.500 -0.300 1.00 0.00 WAT +ATOM 39601 H2 TIP3 11097 -15.501 36.754 0.468 1.00 0.00 WAT +ATOM 39602 OH2 TIP3 11098 -14.839 37.915 8.697 1.00 0.00 WAT +ATOM 39603 H1 TIP3 11098 -14.798 38.371 9.552 1.00 0.00 WAT +ATOM 39604 H2 TIP3 11098 -14.364 37.095 8.893 1.00 0.00 WAT +ATOM 39605 OH2 TIP3 11099 -14.565 33.971 0.524 1.00 0.00 WAT +ATOM 39606 H1 TIP3 11099 -14.813 34.673 1.152 1.00 0.00 WAT +ATOM 39607 H2 TIP3 11099 -13.864 34.405 -0.002 1.00 0.00 WAT +ATOM 39608 OH2 TIP3 11100 -18.880 34.948 -2.956 1.00 0.00 WAT +ATOM 39609 H1 TIP3 11100 -18.874 35.706 -2.351 1.00 0.00 WAT +ATOM 39610 H2 TIP3 11100 -18.060 34.486 -2.684 1.00 0.00 WAT +ATOM 39611 OH2 TIP3 11101 -8.550 35.847 9.608 1.00 0.00 WAT +ATOM 39612 H1 TIP3 11101 -9.511 35.954 9.462 1.00 0.00 WAT +ATOM 39613 H2 TIP3 11101 -8.295 35.618 8.702 1.00 0.00 WAT +ATOM 39614 OH2 TIP3 11102 -10.040 39.659 3.549 1.00 0.00 WAT +ATOM 39615 H1 TIP3 11102 -10.882 39.207 3.376 1.00 0.00 WAT +ATOM 39616 H2 TIP3 11102 -9.556 38.997 4.087 1.00 0.00 WAT +ATOM 39617 OH2 TIP3 11103 -22.364 37.998 -4.737 1.00 0.00 WAT +ATOM 39618 H1 TIP3 11103 -22.207 38.945 -4.590 1.00 0.00 WAT +ATOM 39619 H2 TIP3 11103 -23.189 38.006 -5.239 1.00 0.00 WAT +ATOM 39620 OH2 TIP3 11104 -21.425 33.063 4.008 1.00 0.00 WAT +ATOM 39621 H1 TIP3 11104 -21.600 33.025 3.045 1.00 0.00 WAT +ATOM 39622 H2 TIP3 11104 -21.754 32.198 4.315 1.00 0.00 WAT +ATOM 39623 OH2 TIP3 11105 -16.935 43.288 11.564 1.00 0.00 WAT +ATOM 39624 H1 TIP3 11105 -16.942 43.415 10.598 1.00 0.00 WAT +ATOM 39625 H2 TIP3 11105 -16.657 42.351 11.628 1.00 0.00 WAT +ATOM 39626 OH2 TIP3 11106 -10.992 -43.759 9.334 1.00 0.00 WAT +ATOM 39627 H1 TIP3 11106 -10.207 -43.308 8.992 1.00 0.00 WAT +ATOM 39628 H2 TIP3 11106 -11.684 -43.117 9.133 1.00 0.00 WAT +ATOM 39629 OH2 TIP3 11107 -17.805 41.602 -3.194 1.00 0.00 WAT +ATOM 39630 H1 TIP3 11107 -18.391 41.153 -2.576 1.00 0.00 WAT +ATOM 39631 H2 TIP3 11107 -17.620 40.908 -3.854 1.00 0.00 WAT +ATOM 39632 OH2 TIP3 11108 -18.490 39.256 8.955 1.00 0.00 WAT +ATOM 39633 H1 TIP3 11108 -19.119 39.896 9.331 1.00 0.00 WAT +ATOM 39634 H2 TIP3 11108 -17.892 39.843 8.455 1.00 0.00 WAT +ATOM 39635 OH2 TIP3 11109 -16.928 39.565 -4.872 1.00 0.00 WAT +ATOM 39636 H1 TIP3 11109 -16.960 39.712 -5.837 1.00 0.00 WAT +ATOM 39637 H2 TIP3 11109 -15.966 39.560 -4.712 1.00 0.00 WAT +ATOM 39638 OH2 TIP3 11110 -13.307 42.162 12.741 1.00 0.00 WAT +ATOM 39639 H1 TIP3 11110 -12.449 41.938 12.364 1.00 0.00 WAT +ATOM 39640 H2 TIP3 11110 -13.666 41.304 12.981 1.00 0.00 WAT +ATOM 39641 OH2 TIP3 11111 -7.623 41.892 -5.653 1.00 0.00 WAT +ATOM 39642 H1 TIP3 11111 -7.713 41.850 -6.617 1.00 0.00 WAT +ATOM 39643 H2 TIP3 11111 -7.603 42.852 -5.461 1.00 0.00 WAT +ATOM 39644 OH2 TIP3 11112 -18.039 36.630 10.298 1.00 0.00 WAT +ATOM 39645 H1 TIP3 11112 -17.972 35.969 9.585 1.00 0.00 WAT +ATOM 39646 H2 TIP3 11112 -18.269 37.435 9.801 1.00 0.00 WAT +ATOM 39647 OH2 TIP3 11113 -17.725 35.129 7.734 1.00 0.00 WAT +ATOM 39648 H1 TIP3 11113 -17.230 35.589 7.034 1.00 0.00 WAT +ATOM 39649 H2 TIP3 11113 -18.643 35.101 7.393 1.00 0.00 WAT +ATOM 39650 OH2 TIP3 11114 -16.226 40.677 7.972 1.00 0.00 WAT +ATOM 39651 H1 TIP3 11114 -15.334 40.594 7.593 1.00 0.00 WAT +ATOM 39652 H2 TIP3 11114 -16.483 41.571 7.707 1.00 0.00 WAT +ATOM 39653 OH2 TIP3 11115 -11.570 38.493 12.927 1.00 0.00 WAT +ATOM 39654 H1 TIP3 11115 -11.379 37.551 13.052 1.00 0.00 WAT +ATOM 39655 H2 TIP3 11115 -10.675 38.863 12.875 1.00 0.00 WAT +ATOM 39656 OH2 TIP3 11116 -10.623 41.370 11.282 1.00 0.00 WAT +ATOM 39657 H1 TIP3 11116 -10.852 42.088 10.648 1.00 0.00 WAT +ATOM 39658 H2 TIP3 11116 -9.718 41.169 10.990 1.00 0.00 WAT +ATOM 39659 OH2 TIP3 11117 -19.669 38.594 12.030 1.00 0.00 WAT +ATOM 39660 H1 TIP3 11117 -20.448 38.024 12.061 1.00 0.00 WAT +ATOM 39661 H2 TIP3 11117 -18.997 38.022 11.645 1.00 0.00 WAT +ATOM 39662 OH2 TIP3 11118 -17.014 32.451 8.131 1.00 0.00 WAT +ATOM 39663 H1 TIP3 11118 -17.221 33.394 7.970 1.00 0.00 WAT +ATOM 39664 H2 TIP3 11118 -17.717 31.991 7.638 1.00 0.00 WAT +ATOM 39665 OH2 TIP3 11119 -15.716 37.018 11.868 1.00 0.00 WAT +ATOM 39666 H1 TIP3 11119 -16.056 36.811 12.756 1.00 0.00 WAT +ATOM 39667 H2 TIP3 11119 -16.519 36.812 11.344 1.00 0.00 WAT +ATOM 39668 OH2 TIP3 11120 -13.194 36.071 10.752 1.00 0.00 WAT +ATOM 39669 H1 TIP3 11120 -14.077 36.115 11.165 1.00 0.00 WAT +ATOM 39670 H2 TIP3 11120 -12.740 35.423 11.324 1.00 0.00 WAT +ATOM 39671 OH2 TIP3 11121 -11.325 34.544 12.477 1.00 0.00 WAT +ATOM 39672 H1 TIP3 11121 -11.499 33.591 12.615 1.00 0.00 WAT +ATOM 39673 H2 TIP3 11121 -11.534 34.937 13.344 1.00 0.00 WAT +ATOM 39674 OH2 TIP3 11122 -21.215 35.946 11.969 1.00 0.00 WAT +ATOM 39675 H1 TIP3 11122 -21.265 35.261 11.287 1.00 0.00 WAT +ATOM 39676 H2 TIP3 11122 -21.421 35.442 12.776 1.00 0.00 WAT +ATOM 39677 OH2 TIP3 11123 -16.981 31.823 10.935 1.00 0.00 WAT +ATOM 39678 H1 TIP3 11123 -16.387 31.046 10.923 1.00 0.00 WAT +ATOM 39679 H2 TIP3 11123 -17.081 31.970 9.976 1.00 0.00 WAT +ATOM 39680 OH2 TIP3 11124 -16.209 33.791 12.784 1.00 0.00 WAT +ATOM 39681 H1 TIP3 11124 -16.457 33.171 12.066 1.00 0.00 WAT +ATOM 39682 H2 TIP3 11124 -16.918 34.453 12.756 1.00 0.00 WAT +ATOM 39683 OH2 TIP3 11125 -6.838 43.586 -1.265 1.00 0.00 WAT +ATOM 39684 H1 TIP3 11125 -5.883 43.645 -1.388 1.00 0.00 WAT +ATOM 39685 H2 TIP3 11125 -6.964 42.760 -0.775 1.00 0.00 WAT +ATOM 39686 OH2 TIP3 11126 -6.445 41.305 0.381 1.00 0.00 WAT +ATOM 39687 H1 TIP3 11126 -7.228 40.882 0.787 1.00 0.00 WAT +ATOM 39688 H2 TIP3 11126 -5.889 41.522 1.151 1.00 0.00 WAT +ATOM 39689 OH2 TIP3 11127 -6.275 40.935 -3.090 1.00 0.00 WAT +ATOM 39690 H1 TIP3 11127 -6.902 41.165 -3.802 1.00 0.00 WAT +ATOM 39691 H2 TIP3 11127 -6.406 41.677 -2.484 1.00 0.00 WAT +ATOM 39692 OH2 TIP3 11128 -7.996 38.425 -4.751 1.00 0.00 WAT +ATOM 39693 H1 TIP3 11128 -7.804 39.067 -5.451 1.00 0.00 WAT +ATOM 39694 H2 TIP3 11128 -8.237 37.623 -5.254 1.00 0.00 WAT +ATOM 39695 OH2 TIP3 11129 -8.718 39.656 1.133 1.00 0.00 WAT +ATOM 39696 H1 TIP3 11129 -8.732 38.694 0.996 1.00 0.00 WAT +ATOM 39697 H2 TIP3 11129 -9.079 39.733 2.042 1.00 0.00 WAT +ATOM 39698 OH2 TIP3 11130 -23.847 41.667 5.013 1.00 0.00 WAT +ATOM 39699 H1 TIP3 11130 -23.690 41.974 4.108 1.00 0.00 WAT +ATOM 39700 H2 TIP3 11130 -23.004 41.824 5.455 1.00 0.00 WAT +ATOM 39701 OH2 TIP3 11131 -7.855 41.599 10.332 1.00 0.00 WAT +ATOM 39702 H1 TIP3 11131 -7.130 41.007 10.615 1.00 0.00 WAT +ATOM 39703 H2 TIP3 11131 -7.420 42.442 10.110 1.00 0.00 WAT +ATOM 39704 OH2 TIP3 11132 -6.438 39.652 11.528 1.00 0.00 WAT +ATOM 39705 H1 TIP3 11132 -7.246 39.127 11.338 1.00 0.00 WAT +ATOM 39706 H2 TIP3 11132 -5.756 38.957 11.557 1.00 0.00 WAT +ATOM 39707 OH2 TIP3 11133 -8.540 35.777 -5.577 1.00 0.00 WAT +ATOM 39708 H1 TIP3 11133 -7.970 35.289 -4.955 1.00 0.00 WAT +ATOM 39709 H2 TIP3 11133 -9.348 35.245 -5.617 1.00 0.00 WAT +ATOM 39710 OH2 TIP3 11134 -8.728 37.060 -0.594 1.00 0.00 WAT +ATOM 39711 H1 TIP3 11134 -8.484 36.111 -0.549 1.00 0.00 WAT +ATOM 39712 H2 TIP3 11134 -7.927 37.424 -1.011 1.00 0.00 WAT +ATOM 39713 OH2 TIP3 11135 -8.516 37.677 4.815 1.00 0.00 WAT +ATOM 39714 H1 TIP3 11135 -7.544 37.789 4.792 1.00 0.00 WAT +ATOM 39715 H2 TIP3 11135 -8.663 37.707 5.776 1.00 0.00 WAT +ATOM 39716 OH2 TIP3 11136 -8.337 38.372 7.648 1.00 0.00 WAT +ATOM 39717 H1 TIP3 11136 -9.201 38.752 7.890 1.00 0.00 WAT +ATOM 39718 H2 TIP3 11136 -7.829 39.173 7.407 1.00 0.00 WAT +ATOM 39719 OH2 TIP3 11137 -23.892 37.134 11.291 1.00 0.00 WAT +ATOM 39720 H1 TIP3 11137 -22.940 36.944 11.353 1.00 0.00 WAT +ATOM 39721 H2 TIP3 11137 -24.277 36.248 11.410 1.00 0.00 WAT +ATOM 39722 OH2 TIP3 11138 -5.779 32.536 12.939 1.00 0.00 WAT +ATOM 39723 H1 TIP3 11138 -5.372 31.836 12.393 1.00 0.00 WAT +ATOM 39724 H2 TIP3 11138 -5.752 33.303 12.336 1.00 0.00 WAT +ATOM 39725 OH2 TIP3 11139 -8.269 34.274 -0.630 1.00 0.00 WAT +ATOM 39726 H1 TIP3 11139 -8.149 33.934 0.276 1.00 0.00 WAT +ATOM 39727 H2 TIP3 11139 -9.063 33.777 -0.918 1.00 0.00 WAT +ATOM 39728 OH2 TIP3 11140 -22.921 35.607 4.139 1.00 0.00 WAT +ATOM 39729 H1 TIP3 11140 -22.550 34.709 4.212 1.00 0.00 WAT +ATOM 39730 H2 TIP3 11140 -22.252 36.128 4.614 1.00 0.00 WAT +ATOM 39731 OH2 TIP3 11141 -24.549 38.157 5.190 1.00 0.00 WAT +ATOM 39732 H1 TIP3 11141 -23.979 38.123 4.411 1.00 0.00 WAT +ATOM 39733 H2 TIP3 11141 -24.248 38.970 5.622 1.00 0.00 WAT +ATOM 39734 OH2 TIP3 11142 -6.404 34.578 11.172 1.00 0.00 WAT +ATOM 39735 H1 TIP3 11142 -7.287 34.988 11.221 1.00 0.00 WAT +ATOM 39736 H2 TIP3 11142 -6.520 34.023 10.379 1.00 0.00 WAT +ATOM 39737 OH2 TIP3 11143 -6.311 34.757 -3.971 1.00 0.00 WAT +ATOM 39738 H1 TIP3 11143 -5.993 33.946 -4.404 1.00 0.00 WAT +ATOM 39739 H2 TIP3 11143 -5.493 35.274 -3.886 1.00 0.00 WAT +ATOM 39740 OH2 TIP3 11144 -24.053 34.496 -0.765 1.00 0.00 WAT +ATOM 39741 H1 TIP3 11144 -24.998 34.529 -0.993 1.00 0.00 WAT +ATOM 39742 H2 TIP3 11144 -23.643 35.087 -1.427 1.00 0.00 WAT +ATOM 39743 OH2 TIP3 11145 -24.002 33.378 7.369 1.00 0.00 WAT +ATOM 39744 H1 TIP3 11145 -24.709 33.097 7.964 1.00 0.00 WAT +ATOM 39745 H2 TIP3 11145 -24.502 33.893 6.709 1.00 0.00 WAT +ATOM 39746 OH2 TIP3 11146 -7.542 32.783 9.146 1.00 0.00 WAT +ATOM 39747 H1 TIP3 11146 -8.344 32.994 8.637 1.00 0.00 WAT +ATOM 39748 H2 TIP3 11146 -7.349 31.879 8.818 1.00 0.00 WAT +ATOM 39749 OH2 TIP3 11147 -14.159 34.312 3.627 1.00 0.00 WAT +ATOM 39750 H1 TIP3 11147 -14.820 33.615 3.794 1.00 0.00 WAT +ATOM 39751 H2 TIP3 11147 -13.547 33.855 3.028 1.00 0.00 WAT +ATOM 39752 OH2 TIP3 11148 -9.194 32.246 4.120 1.00 0.00 WAT +ATOM 39753 H1 TIP3 11148 -8.414 32.674 3.727 1.00 0.00 WAT +ATOM 39754 H2 TIP3 11148 -9.916 32.556 3.552 1.00 0.00 WAT +ATOM 39755 OH2 TIP3 11149 -7.086 33.405 1.946 1.00 0.00 WAT +ATOM 39756 H1 TIP3 11149 -6.382 32.973 1.429 1.00 0.00 WAT +ATOM 39757 H2 TIP3 11149 -6.739 34.313 2.044 1.00 0.00 WAT +ATOM 39758 OH2 TIP3 11150 -21.776 33.007 1.194 1.00 0.00 WAT +ATOM 39759 H1 TIP3 11150 -22.628 32.873 0.736 1.00 0.00 WAT +ATOM 39760 H2 TIP3 11150 -21.344 32.145 1.039 1.00 0.00 WAT +ATOM 39761 OH2 TIP3 11151 -22.950 32.495 -2.947 1.00 0.00 WAT +ATOM 39762 H1 TIP3 11151 -22.433 33.152 -3.452 1.00 0.00 WAT +ATOM 39763 H2 TIP3 11151 -23.353 33.043 -2.255 1.00 0.00 WAT +ATOM 39764 OH2 TIP3 11152 -17.316 32.883 1.067 1.00 0.00 WAT +ATOM 39765 H1 TIP3 11152 -16.382 33.071 0.880 1.00 0.00 WAT +ATOM 39766 H2 TIP3 11152 -17.281 32.667 2.006 1.00 0.00 WAT +ATOM 39767 OH2 TIP3 11153 -11.781 32.671 2.514 1.00 0.00 WAT +ATOM 39768 H1 TIP3 11153 -11.468 32.655 1.600 1.00 0.00 WAT +ATOM 39769 H2 TIP3 11153 -11.933 31.733 2.679 1.00 0.00 WAT +ATOM 39770 OH2 TIP3 11154 -10.590 32.884 -1.535 1.00 0.00 WAT +ATOM 39771 H1 TIP3 11154 -11.419 33.365 -1.714 1.00 0.00 WAT +ATOM 39772 H2 TIP3 11154 -10.923 31.979 -1.400 1.00 0.00 WAT +ATOM 39773 OH2 TIP3 11155 -21.237 34.303 -4.493 1.00 0.00 WAT +ATOM 39774 H1 TIP3 11155 -20.615 33.774 -5.021 1.00 0.00 WAT +ATOM 39775 H2 TIP3 11155 -20.642 34.652 -3.801 1.00 0.00 WAT +ATOM 39776 OH2 TIP3 11156 -16.174 34.514 -1.893 1.00 0.00 WAT +ATOM 39777 H1 TIP3 11156 -15.824 33.892 -1.238 1.00 0.00 WAT +ATOM 39778 H2 TIP3 11156 -15.909 35.358 -1.494 1.00 0.00 WAT +ATOM 39779 OH2 TIP3 11157 -21.976 33.245 10.716 1.00 0.00 WAT +ATOM 39780 H1 TIP3 11157 -22.347 32.417 11.068 1.00 0.00 WAT +ATOM 39781 H2 TIP3 11157 -21.041 33.141 10.956 1.00 0.00 WAT +ATOM 39782 OH2 TIP3 11158 -19.524 32.602 12.408 1.00 0.00 WAT +ATOM 39783 H1 TIP3 11158 -18.693 32.243 12.039 1.00 0.00 WAT +ATOM 39784 H2 TIP3 11158 -19.878 31.811 12.838 1.00 0.00 WAT +ATOM 39785 OH2 TIP3 11159 -11.456 31.740 12.597 1.00 0.00 WAT +ATOM 39786 H1 TIP3 11159 -11.420 31.326 13.480 1.00 0.00 WAT +ATOM 39787 H2 TIP3 11159 -10.517 31.725 12.335 1.00 0.00 WAT +ATOM 39788 OH2 TIP3 11160 4.917 41.226 4.289 1.00 0.00 WAT +ATOM 39789 H1 TIP3 11160 4.957 41.025 5.239 1.00 0.00 WAT +ATOM 39790 H2 TIP3 11160 4.625 40.366 3.945 1.00 0.00 WAT +ATOM 39791 OH2 TIP3 11161 -2.615 40.813 6.133 1.00 0.00 WAT +ATOM 39792 H1 TIP3 11161 -2.643 40.066 6.757 1.00 0.00 WAT +ATOM 39793 H2 TIP3 11161 -1.908 41.345 6.520 1.00 0.00 WAT +ATOM 39794 OH2 TIP3 11162 -4.922 38.862 0.072 1.00 0.00 WAT +ATOM 39795 H1 TIP3 11162 -5.369 39.724 0.137 1.00 0.00 WAT +ATOM 39796 H2 TIP3 11162 -5.613 38.320 -0.326 1.00 0.00 WAT +ATOM 39797 OH2 TIP3 11163 -3.960 41.360 1.956 1.00 0.00 WAT +ATOM 39798 H1 TIP3 11163 -3.990 40.546 2.496 1.00 0.00 WAT +ATOM 39799 H2 TIP3 11163 -3.189 41.169 1.409 1.00 0.00 WAT +ATOM 39800 OH2 TIP3 11164 12.118 35.225 5.716 1.00 0.00 WAT +ATOM 39801 H1 TIP3 11164 12.356 35.841 6.429 1.00 0.00 WAT +ATOM 39802 H2 TIP3 11164 12.729 35.519 5.014 1.00 0.00 WAT +ATOM 39803 OH2 TIP3 11165 6.763 38.046 5.596 1.00 0.00 WAT +ATOM 39804 H1 TIP3 11165 6.894 37.085 5.661 1.00 0.00 WAT +ATOM 39805 H2 TIP3 11165 6.650 38.160 4.641 1.00 0.00 WAT +ATOM 39806 OH2 TIP3 11166 -0.276 36.059 2.666 1.00 0.00 WAT +ATOM 39807 H1 TIP3 11166 -0.146 36.909 2.203 1.00 0.00 WAT +ATOM 39808 H2 TIP3 11166 -0.627 35.522 1.929 1.00 0.00 WAT +ATOM 39809 OH2 TIP3 11167 7.579 36.233 0.985 1.00 0.00 WAT +ATOM 39810 H1 TIP3 11167 8.153 35.795 1.651 1.00 0.00 WAT +ATOM 39811 H2 TIP3 11167 8.246 36.665 0.431 1.00 0.00 WAT +ATOM 39812 OH2 TIP3 11168 -3.602 38.777 3.175 1.00 0.00 WAT +ATOM 39813 H1 TIP3 11168 -2.973 38.301 3.742 1.00 0.00 WAT +ATOM 39814 H2 TIP3 11168 -3.508 38.289 2.336 1.00 0.00 WAT +ATOM 39815 OH2 TIP3 11169 1.895 40.229 2.638 1.00 0.00 WAT +ATOM 39816 H1 TIP3 11169 2.509 39.595 3.061 1.00 0.00 WAT +ATOM 39817 H2 TIP3 11169 1.312 39.620 2.146 1.00 0.00 WAT +ATOM 39818 OH2 TIP3 11170 12.853 36.603 8.207 1.00 0.00 WAT +ATOM 39819 H1 TIP3 11170 12.264 37.320 7.909 1.00 0.00 WAT +ATOM 39820 H2 TIP3 11170 12.619 36.562 9.144 1.00 0.00 WAT +ATOM 39821 OH2 TIP3 11171 -1.474 34.847 6.825 1.00 0.00 WAT +ATOM 39822 H1 TIP3 11171 -1.887 35.345 6.103 1.00 0.00 WAT +ATOM 39823 H2 TIP3 11171 -2.132 34.979 7.536 1.00 0.00 WAT +ATOM 39824 OH2 TIP3 11172 1.261 42.665 6.560 1.00 0.00 WAT +ATOM 39825 H1 TIP3 11172 0.417 43.137 6.645 1.00 0.00 WAT +ATOM 39826 H2 TIP3 11172 1.868 43.412 6.666 1.00 0.00 WAT +ATOM 39827 OH2 TIP3 11173 9.397 35.469 3.015 1.00 0.00 WAT +ATOM 39828 H1 TIP3 11173 9.018 34.861 3.662 1.00 0.00 WAT +ATOM 39829 H2 TIP3 11173 9.921 36.061 3.583 1.00 0.00 WAT +ATOM 39830 OH2 TIP3 11174 -1.882 36.890 4.763 1.00 0.00 WAT +ATOM 39831 H1 TIP3 11174 -1.236 37.455 5.237 1.00 0.00 WAT +ATOM 39832 H2 TIP3 11174 -1.304 36.521 4.058 1.00 0.00 WAT +ATOM 39833 OH2 TIP3 11175 9.531 34.630 6.865 1.00 0.00 WAT +ATOM 39834 H1 TIP3 11175 8.760 35.011 6.407 1.00 0.00 WAT +ATOM 39835 H2 TIP3 11175 10.254 34.802 6.233 1.00 0.00 WAT +ATOM 39836 OH2 TIP3 11176 2.664 32.338 3.918 1.00 0.00 WAT +ATOM 39837 H1 TIP3 11176 2.437 31.390 3.863 1.00 0.00 WAT +ATOM 39838 H2 TIP3 11176 1.837 32.716 4.287 1.00 0.00 WAT +ATOM 39839 OH2 TIP3 11177 4.657 41.484 -1.172 1.00 0.00 WAT +ATOM 39840 H1 TIP3 11177 4.020 41.983 -1.716 1.00 0.00 WAT +ATOM 39841 H2 TIP3 11177 5.422 41.469 -1.767 1.00 0.00 WAT +ATOM 39842 OH2 TIP3 11178 5.051 39.407 -4.129 1.00 0.00 WAT +ATOM 39843 H1 TIP3 11178 5.777 39.808 -3.619 1.00 0.00 WAT +ATOM 39844 H2 TIP3 11178 5.539 38.930 -4.812 1.00 0.00 WAT +ATOM 39845 OH2 TIP3 11179 12.158 40.546 6.895 1.00 0.00 WAT +ATOM 39846 H1 TIP3 11179 11.516 41.275 7.036 1.00 0.00 WAT +ATOM 39847 H2 TIP3 11179 12.677 40.942 6.164 1.00 0.00 WAT +ATOM 39848 OH2 TIP3 11180 8.180 41.558 -0.129 1.00 0.00 WAT +ATOM 39849 H1 TIP3 11180 7.394 41.414 0.404 1.00 0.00 WAT +ATOM 39850 H2 TIP3 11180 8.840 40.972 0.287 1.00 0.00 WAT +ATOM 39851 OH2 TIP3 11181 8.078 39.806 8.594 1.00 0.00 WAT +ATOM 39852 H1 TIP3 11181 8.120 40.568 9.194 1.00 0.00 WAT +ATOM 39853 H2 TIP3 11181 7.524 40.185 7.890 1.00 0.00 WAT +ATOM 39854 OH2 TIP3 11182 -0.266 41.997 1.594 1.00 0.00 WAT +ATOM 39855 H1 TIP3 11182 -0.420 41.751 0.661 1.00 0.00 WAT +ATOM 39856 H2 TIP3 11182 0.589 41.573 1.768 1.00 0.00 WAT +ATOM 39857 OH2 TIP3 11183 0.434 40.650 5.001 1.00 0.00 WAT +ATOM 39858 H1 TIP3 11183 1.000 40.746 4.211 1.00 0.00 WAT +ATOM 39859 H2 TIP3 11183 0.715 41.409 5.554 1.00 0.00 WAT +ATOM 39860 OH2 TIP3 11184 7.216 40.739 -2.651 1.00 0.00 WAT +ATOM 39861 H1 TIP3 11184 7.810 41.062 -1.946 1.00 0.00 WAT +ATOM 39862 H2 TIP3 11184 7.615 41.195 -3.436 1.00 0.00 WAT +ATOM 39863 OH2 TIP3 11185 -1.727 41.474 8.864 1.00 0.00 WAT +ATOM 39864 H1 TIP3 11185 -1.613 42.103 9.614 1.00 0.00 WAT +ATOM 39865 H2 TIP3 11185 -2.697 41.407 8.842 1.00 0.00 WAT +ATOM 39866 OH2 TIP3 11186 10.656 32.465 -3.279 1.00 0.00 WAT +ATOM 39867 H1 TIP3 11186 9.786 32.561 -2.852 1.00 0.00 WAT +ATOM 39868 H2 TIP3 11186 11.011 33.366 -3.217 1.00 0.00 WAT +ATOM 39869 OH2 TIP3 11187 -1.256 40.903 -0.883 1.00 0.00 WAT +ATOM 39870 H1 TIP3 11187 -1.423 41.676 -1.463 1.00 0.00 WAT +ATOM 39871 H2 TIP3 11187 -1.857 40.239 -1.242 1.00 0.00 WAT +ATOM 39872 OH2 TIP3 11188 -5.193 43.101 7.883 1.00 0.00 WAT +ATOM 39873 H1 TIP3 11188 -5.281 42.905 6.938 1.00 0.00 WAT +ATOM 39874 H2 TIP3 11188 -4.944 42.232 8.254 1.00 0.00 WAT +ATOM 39875 OH2 TIP3 11189 10.063 38.373 10.934 1.00 0.00 WAT +ATOM 39876 H1 TIP3 11189 9.575 38.753 10.191 1.00 0.00 WAT +ATOM 39877 H2 TIP3 11189 10.125 37.437 10.660 1.00 0.00 WAT +ATOM 39878 OH2 TIP3 11190 0.238 33.492 4.826 1.00 0.00 WAT +ATOM 39879 H1 TIP3 11190 -0.577 33.418 4.299 1.00 0.00 WAT +ATOM 39880 H2 TIP3 11190 -0.014 34.211 5.426 1.00 0.00 WAT +ATOM 39881 OH2 TIP3 11191 4.606 33.072 8.476 1.00 0.00 WAT +ATOM 39882 H1 TIP3 11191 5.135 32.536 9.100 1.00 0.00 WAT +ATOM 39883 H2 TIP3 11191 3.704 32.719 8.597 1.00 0.00 WAT +ATOM 39884 OH2 TIP3 11192 7.770 36.853 8.984 1.00 0.00 WAT +ATOM 39885 H1 TIP3 11192 7.161 36.699 9.730 1.00 0.00 WAT +ATOM 39886 H2 TIP3 11192 7.690 37.810 8.824 1.00 0.00 WAT +ATOM 39887 OH2 TIP3 11193 8.557 41.726 -4.756 1.00 0.00 WAT +ATOM 39888 H1 TIP3 11193 8.506 41.587 -5.717 1.00 0.00 WAT +ATOM 39889 H2 TIP3 11193 9.432 42.153 -4.667 1.00 0.00 WAT +ATOM 39890 OH2 TIP3 11194 4.417 35.569 -4.262 1.00 0.00 WAT +ATOM 39891 H1 TIP3 11194 3.918 35.440 -3.443 1.00 0.00 WAT +ATOM 39892 H2 TIP3 11194 4.003 34.898 -4.832 1.00 0.00 WAT +ATOM 39893 OH2 TIP3 11195 0.103 38.232 6.269 1.00 0.00 WAT +ATOM 39894 H1 TIP3 11195 -0.515 38.369 7.007 1.00 0.00 WAT +ATOM 39895 H2 TIP3 11195 0.179 39.135 5.885 1.00 0.00 WAT +ATOM 39896 OH2 TIP3 11196 0.046 38.367 1.105 1.00 0.00 WAT +ATOM 39897 H1 TIP3 11196 -0.911 38.277 0.948 1.00 0.00 WAT +ATOM 39898 H2 TIP3 11196 0.390 38.156 0.214 1.00 0.00 WAT +ATOM 39899 OH2 TIP3 11197 5.706 39.056 -0.041 1.00 0.00 WAT +ATOM 39900 H1 TIP3 11197 5.195 39.781 -0.458 1.00 0.00 WAT +ATOM 39901 H2 TIP3 11197 6.302 38.794 -0.766 1.00 0.00 WAT +ATOM 39902 OH2 TIP3 11198 4.834 39.216 11.340 1.00 0.00 WAT +ATOM 39903 H1 TIP3 11198 4.339 38.429 11.644 1.00 0.00 WAT +ATOM 39904 H2 TIP3 11198 5.727 39.041 11.692 1.00 0.00 WAT +ATOM 39905 OH2 TIP3 11199 6.495 38.310 2.621 1.00 0.00 WAT +ATOM 39906 H1 TIP3 11199 6.201 38.787 1.818 1.00 0.00 WAT +ATOM 39907 H2 TIP3 11199 6.754 37.464 2.204 1.00 0.00 WAT +ATOM 39908 OH2 TIP3 11200 -2.516 38.412 8.027 1.00 0.00 WAT +ATOM 39909 H1 TIP3 11200 -2.310 38.782 8.893 1.00 0.00 WAT +ATOM 39910 H2 TIP3 11200 -2.880 37.541 8.266 1.00 0.00 WAT +ATOM 39911 OH2 TIP3 11201 0.853 36.018 -5.364 1.00 0.00 WAT +ATOM 39912 H1 TIP3 11201 0.488 35.666 -4.527 1.00 0.00 WAT +ATOM 39913 H2 TIP3 11201 0.057 36.166 -5.888 1.00 0.00 WAT +ATOM 39914 OH2 TIP3 11202 -5.712 35.918 1.707 1.00 0.00 WAT +ATOM 39915 H1 TIP3 11202 -5.106 35.872 2.470 1.00 0.00 WAT +ATOM 39916 H2 TIP3 11202 -5.209 35.502 0.990 1.00 0.00 WAT +ATOM 39917 OH2 TIP3 11203 -4.125 36.335 -2.574 1.00 0.00 WAT +ATOM 39918 H1 TIP3 11203 -3.585 36.816 -3.235 1.00 0.00 WAT +ATOM 39919 H2 TIP3 11203 -4.826 36.987 -2.402 1.00 0.00 WAT +ATOM 39920 OH2 TIP3 11204 5.459 39.998 7.069 1.00 0.00 WAT +ATOM 39921 H1 TIP3 11204 5.986 39.318 6.593 1.00 0.00 WAT +ATOM 39922 H2 TIP3 11204 5.197 39.496 7.856 1.00 0.00 WAT +ATOM 39923 OH2 TIP3 11205 2.818 35.978 2.162 1.00 0.00 WAT +ATOM 39924 H1 TIP3 11205 1.871 35.899 2.367 1.00 0.00 WAT +ATOM 39925 H2 TIP3 11205 3.223 35.714 3.007 1.00 0.00 WAT +ATOM 39926 OH2 TIP3 11206 -2.626 37.171 0.819 1.00 0.00 WAT +ATOM 39927 H1 TIP3 11206 -3.438 37.429 0.349 1.00 0.00 WAT +ATOM 39928 H2 TIP3 11206 -2.337 36.370 0.342 1.00 0.00 WAT +ATOM 39929 OH2 TIP3 11207 1.004 37.520 -1.492 1.00 0.00 WAT +ATOM 39930 H1 TIP3 11207 1.974 37.582 -1.462 1.00 0.00 WAT +ATOM 39931 H2 TIP3 11207 0.757 38.095 -2.237 1.00 0.00 WAT +ATOM 39932 OH2 TIP3 11208 7.190 35.081 5.163 1.00 0.00 WAT +ATOM 39933 H1 TIP3 11208 6.547 35.081 5.905 1.00 0.00 WAT +ATOM 39934 H2 TIP3 11208 6.623 34.734 4.454 1.00 0.00 WAT +ATOM 39935 OH2 TIP3 11209 -0.545 38.769 -3.718 1.00 0.00 WAT +ATOM 39936 H1 TIP3 11209 -1.113 38.453 -4.436 1.00 0.00 WAT +ATOM 39937 H2 TIP3 11209 0.274 38.975 -4.205 1.00 0.00 WAT +ATOM 39938 OH2 TIP3 11210 -1.615 43.161 10.936 1.00 0.00 WAT +ATOM 39939 H1 TIP3 11210 -1.061 43.652 11.576 1.00 0.00 WAT +ATOM 39940 H2 TIP3 11210 -2.427 43.037 11.474 1.00 0.00 WAT +ATOM 39941 OH2 TIP3 11211 3.857 38.554 3.988 1.00 0.00 WAT +ATOM 39942 H1 TIP3 11211 4.527 38.045 3.506 1.00 0.00 WAT +ATOM 39943 H2 TIP3 11211 3.652 37.947 4.730 1.00 0.00 WAT +ATOM 39944 OH2 TIP3 11212 -0.906 34.867 0.157 1.00 0.00 WAT +ATOM 39945 H1 TIP3 11212 -1.449 34.071 0.280 1.00 0.00 WAT +ATOM 39946 H2 TIP3 11212 -0.099 34.504 -0.236 1.00 0.00 WAT +ATOM 39947 OH2 TIP3 11213 2.810 36.980 6.170 1.00 0.00 WAT +ATOM 39948 H1 TIP3 11213 2.004 37.519 6.241 1.00 0.00 WAT +ATOM 39949 H2 TIP3 11213 3.298 37.201 6.987 1.00 0.00 WAT +ATOM 39950 OH2 TIP3 11214 2.778 -43.309 -2.056 1.00 0.00 WAT +ATOM 39951 H1 TIP3 11214 2.082 -43.907 -2.378 1.00 0.00 WAT +ATOM 39952 H2 TIP3 11214 2.674 -43.293 -1.100 1.00 0.00 WAT +ATOM 39953 OH2 TIP3 11215 10.399 42.657 6.787 1.00 0.00 WAT +ATOM 39954 H1 TIP3 11215 10.682 43.106 5.971 1.00 0.00 WAT +ATOM 39955 H2 TIP3 11215 9.449 42.580 6.586 1.00 0.00 WAT +ATOM 39956 OH2 TIP3 11216 7.095 36.160 -4.114 1.00 0.00 WAT +ATOM 39957 H1 TIP3 11216 6.112 36.138 -4.162 1.00 0.00 WAT +ATOM 39958 H2 TIP3 11216 7.271 36.896 -3.496 1.00 0.00 WAT +ATOM 39959 OH2 TIP3 11217 7.767 37.978 -2.023 1.00 0.00 WAT +ATOM 39960 H1 TIP3 11217 8.657 37.809 -1.656 1.00 0.00 WAT +ATOM 39961 H2 TIP3 11217 7.882 38.838 -2.465 1.00 0.00 WAT +ATOM 39962 OH2 TIP3 11218 -1.614 42.520 3.872 1.00 0.00 WAT +ATOM 39963 H1 TIP3 11218 -1.088 42.395 3.050 1.00 0.00 WAT +ATOM 39964 H2 TIP3 11218 -1.591 41.628 4.247 1.00 0.00 WAT +ATOM 39965 OH2 TIP3 11219 -4.616 40.789 9.159 1.00 0.00 WAT +ATOM 39966 H1 TIP3 11219 -4.520 40.416 10.056 1.00 0.00 WAT +ATOM 39967 H2 TIP3 11219 -5.357 40.284 8.786 1.00 0.00 WAT +ATOM 39968 OH2 TIP3 11220 2.291 40.508 11.197 1.00 0.00 WAT +ATOM 39969 H1 TIP3 11220 1.942 40.265 10.323 1.00 0.00 WAT +ATOM 39970 H2 TIP3 11220 3.231 40.269 11.100 1.00 0.00 WAT +ATOM 39971 OH2 TIP3 11221 12.354 37.977 -2.325 1.00 0.00 WAT +ATOM 39972 H1 TIP3 11221 11.807 37.787 -3.114 1.00 0.00 WAT +ATOM 39973 H2 TIP3 11221 12.484 38.934 -2.467 1.00 0.00 WAT +ATOM 39974 OH2 TIP3 11222 7.829 41.855 5.414 1.00 0.00 WAT +ATOM 39975 H1 TIP3 11222 6.922 41.730 5.110 1.00 0.00 WAT +ATOM 39976 H2 TIP3 11222 8.342 41.325 4.782 1.00 0.00 WAT +ATOM 39977 OH2 TIP3 11223 -3.629 40.942 -4.280 1.00 0.00 WAT +ATOM 39978 H1 TIP3 11223 -3.041 41.554 -3.811 1.00 0.00 WAT +ATOM 39979 H2 TIP3 11223 -4.482 41.118 -3.833 1.00 0.00 WAT +ATOM 39980 OH2 TIP3 11224 -3.362 35.655 8.831 1.00 0.00 WAT +ATOM 39981 H1 TIP3 11224 -4.268 35.892 8.549 1.00 0.00 WAT +ATOM 39982 H2 TIP3 11224 -3.504 34.773 9.219 1.00 0.00 WAT +ATOM 39983 OH2 TIP3 11225 -1.855 -43.867 -2.413 1.00 0.00 WAT +ATOM 39984 H1 TIP3 11225 -2.767 -43.527 -2.300 1.00 0.00 WAT +ATOM 39985 H2 TIP3 11225 -1.408 -43.059 -2.709 1.00 0.00 WAT +ATOM 39986 OH2 TIP3 11226 5.599 35.491 7.361 1.00 0.00 WAT +ATOM 39987 H1 TIP3 11226 6.226 35.755 8.051 1.00 0.00 WAT +ATOM 39988 H2 TIP3 11226 5.122 34.745 7.776 1.00 0.00 WAT +ATOM 39989 OH2 TIP3 11227 6.236 34.936 -1.379 1.00 0.00 WAT +ATOM 39990 H1 TIP3 11227 6.430 35.448 -2.181 1.00 0.00 WAT +ATOM 39991 H2 TIP3 11227 6.723 35.430 -0.698 1.00 0.00 WAT +ATOM 39992 OH2 TIP3 11228 3.667 36.929 -0.432 1.00 0.00 WAT +ATOM 39993 H1 TIP3 11228 4.443 37.496 -0.278 1.00 0.00 WAT +ATOM 39994 H2 TIP3 11228 3.361 36.754 0.479 1.00 0.00 WAT +ATOM 39995 OH2 TIP3 11229 4.068 37.917 8.739 1.00 0.00 WAT +ATOM 39996 H1 TIP3 11229 4.110 38.394 9.583 1.00 0.00 WAT +ATOM 39997 H2 TIP3 11229 4.544 37.103 8.951 1.00 0.00 WAT +ATOM 39998 OH2 TIP3 11230 4.250 33.938 0.503 1.00 0.00 WAT +ATOM 39999 H1 TIP3 11230 4.066 34.627 1.168 1.00 0.00 WAT +ATOM 40000 H2 TIP3 11230 4.978 34.351 -0.005 1.00 0.00 WAT +ATOM 40001 OH2 TIP3 11231 -0.023 34.945 -2.968 1.00 0.00 WAT +ATOM 40002 H1 TIP3 11231 -0.003 35.701 -2.358 1.00 0.00 WAT +ATOM 40003 H2 TIP3 11231 0.785 34.464 -2.697 1.00 0.00 WAT +ATOM 40004 OH2 TIP3 11232 10.307 35.847 9.610 1.00 0.00 WAT +ATOM 40005 H1 TIP3 11232 9.347 35.963 9.460 1.00 0.00 WAT +ATOM 40006 H2 TIP3 11232 10.562 35.617 8.704 1.00 0.00 WAT +ATOM 40007 OH2 TIP3 11233 8.819 39.675 3.573 1.00 0.00 WAT +ATOM 40008 H1 TIP3 11233 8.004 39.186 3.364 1.00 0.00 WAT +ATOM 40009 H2 TIP3 11233 9.323 39.013 4.094 1.00 0.00 WAT +ATOM 40010 OH2 TIP3 11234 -3.496 38.001 -4.754 1.00 0.00 WAT +ATOM 40011 H1 TIP3 11234 -3.352 38.948 -4.588 1.00 0.00 WAT +ATOM 40012 H2 TIP3 11234 -4.339 38.004 -5.223 1.00 0.00 WAT +ATOM 40013 OH2 TIP3 11235 -2.557 33.032 3.991 1.00 0.00 WAT +ATOM 40014 H1 TIP3 11235 -2.753 32.995 3.032 1.00 0.00 WAT +ATOM 40015 H2 TIP3 11235 -2.893 32.170 4.302 1.00 0.00 WAT +ATOM 40016 OH2 TIP3 11236 -4.057 43.060 12.075 1.00 0.00 WAT +ATOM 40017 H1 TIP3 11236 -4.274 42.110 12.082 1.00 0.00 WAT +ATOM 40018 H2 TIP3 11236 -4.864 43.494 11.785 1.00 0.00 WAT +ATOM 40019 OH2 TIP3 11237 1.854 43.291 11.583 1.00 0.00 WAT +ATOM 40020 H1 TIP3 11237 1.860 43.450 10.620 1.00 0.00 WAT +ATOM 40021 H2 TIP3 11237 2.190 42.373 11.626 1.00 0.00 WAT +ATOM 40022 OH2 TIP3 11238 7.860 -43.764 9.326 1.00 0.00 WAT +ATOM 40023 H1 TIP3 11238 8.659 -43.328 8.996 1.00 0.00 WAT +ATOM 40024 H2 TIP3 11238 7.190 -43.093 9.148 1.00 0.00 WAT +ATOM 40025 OH2 TIP3 11239 -3.484 40.240 11.779 1.00 0.00 WAT +ATOM 40026 H1 TIP3 11239 -2.707 39.659 11.710 1.00 0.00 WAT +ATOM 40027 H2 TIP3 11239 -3.474 40.447 12.731 1.00 0.00 WAT +ATOM 40028 OH2 TIP3 11240 1.090 41.613 -3.035 1.00 0.00 WAT +ATOM 40029 H1 TIP3 11240 0.403 41.145 -2.547 1.00 0.00 WAT +ATOM 40030 H2 TIP3 11240 1.271 41.002 -3.773 1.00 0.00 WAT +ATOM 40031 OH2 TIP3 11241 0.253 39.334 9.195 1.00 0.00 WAT +ATOM 40032 H1 TIP3 11241 -0.332 40.100 9.347 1.00 0.00 WAT +ATOM 40033 H2 TIP3 11241 0.872 39.690 8.535 1.00 0.00 WAT +ATOM 40034 OH2 TIP3 11242 1.915 39.571 -4.878 1.00 0.00 WAT +ATOM 40035 H1 TIP3 11242 1.899 39.717 -5.843 1.00 0.00 WAT +ATOM 40036 H2 TIP3 11242 2.872 39.587 -4.696 1.00 0.00 WAT +ATOM 40037 OH2 TIP3 11243 5.542 42.155 12.754 1.00 0.00 WAT +ATOM 40038 H1 TIP3 11243 6.402 41.958 12.366 1.00 0.00 WAT +ATOM 40039 H2 TIP3 11243 5.191 41.284 12.949 1.00 0.00 WAT +ATOM 40040 OH2 TIP3 11244 11.255 41.893 -5.669 1.00 0.00 WAT +ATOM 40041 H1 TIP3 11244 11.130 41.867 -6.631 1.00 0.00 WAT +ATOM 40042 H2 TIP3 11244 11.239 42.847 -5.452 1.00 0.00 WAT +ATOM 40043 OH2 TIP3 11245 0.816 36.634 10.298 1.00 0.00 WAT +ATOM 40044 H1 TIP3 11245 0.873 35.974 9.582 1.00 0.00 WAT +ATOM 40045 H2 TIP3 11245 0.605 37.443 9.799 1.00 0.00 WAT +ATOM 40046 OH2 TIP3 11246 1.141 35.115 7.747 1.00 0.00 WAT +ATOM 40047 H1 TIP3 11246 1.652 35.618 7.087 1.00 0.00 WAT +ATOM 40048 H2 TIP3 11246 0.230 35.132 7.385 1.00 0.00 WAT +ATOM 40049 OH2 TIP3 11247 2.637 40.661 8.059 1.00 0.00 WAT +ATOM 40050 H1 TIP3 11247 3.482 40.533 7.596 1.00 0.00 WAT +ATOM 40051 H2 TIP3 11247 2.303 41.482 7.660 1.00 0.00 WAT +ATOM 40052 OH2 TIP3 11248 7.290 38.492 12.945 1.00 0.00 WAT +ATOM 40053 H1 TIP3 11248 7.493 37.548 13.032 1.00 0.00 WAT +ATOM 40054 H2 TIP3 11248 8.181 38.869 12.871 1.00 0.00 WAT +ATOM 40055 OH2 TIP3 11249 8.227 41.363 11.275 1.00 0.00 WAT +ATOM 40056 H1 TIP3 11249 8.004 42.085 10.643 1.00 0.00 WAT +ATOM 40057 H2 TIP3 11249 9.145 41.183 11.006 1.00 0.00 WAT +ATOM 40058 OH2 TIP3 11250 -1.036 38.507 12.090 1.00 0.00 WAT +ATOM 40059 H1 TIP3 11250 -1.539 37.672 12.080 1.00 0.00 WAT +ATOM 40060 H2 TIP3 11250 -0.214 38.241 11.650 1.00 0.00 WAT +ATOM 40061 OH2 TIP3 11251 1.862 32.436 8.102 1.00 0.00 WAT +ATOM 40062 H1 TIP3 11251 1.682 33.385 7.936 1.00 0.00 WAT +ATOM 40063 H2 TIP3 11251 1.169 32.011 7.561 1.00 0.00 WAT +ATOM 40064 OH2 TIP3 11252 3.135 37.022 11.878 1.00 0.00 WAT +ATOM 40065 H1 TIP3 11252 2.786 36.801 12.760 1.00 0.00 WAT +ATOM 40066 H2 TIP3 11252 2.341 36.817 11.339 1.00 0.00 WAT +ATOM 40067 OH2 TIP3 11253 5.666 36.077 10.759 1.00 0.00 WAT +ATOM 40068 H1 TIP3 11253 4.782 36.107 11.169 1.00 0.00 WAT +ATOM 40069 H2 TIP3 11253 6.125 35.425 11.324 1.00 0.00 WAT +ATOM 40070 OH2 TIP3 11254 7.509 34.547 12.475 1.00 0.00 WAT +ATOM 40071 H1 TIP3 11254 7.367 33.589 12.618 1.00 0.00 WAT +ATOM 40072 H2 TIP3 11254 7.327 34.932 13.351 1.00 0.00 WAT +ATOM 40073 OH2 TIP3 11255 -2.315 35.942 11.931 1.00 0.00 WAT +ATOM 40074 H1 TIP3 11255 -2.396 35.243 11.262 1.00 0.00 WAT +ATOM 40075 H2 TIP3 11255 -2.543 35.457 12.746 1.00 0.00 WAT +ATOM 40076 OH2 TIP3 11256 1.709 31.924 10.917 1.00 0.00 WAT +ATOM 40077 H1 TIP3 11256 2.297 31.152 10.967 1.00 0.00 WAT +ATOM 40078 H2 TIP3 11256 1.677 32.065 9.950 1.00 0.00 WAT +ATOM 40079 OH2 TIP3 11257 2.652 33.794 12.766 1.00 0.00 WAT +ATOM 40080 H1 TIP3 11257 2.363 33.192 12.050 1.00 0.00 WAT +ATOM 40081 H2 TIP3 11257 1.946 34.458 12.777 1.00 0.00 WAT +ATOM 40082 OH2 TIP3 11258 12.062 43.656 -1.176 1.00 0.00 WAT +ATOM 40083 H1 TIP3 11258 12.992 43.606 -1.428 1.00 0.00 WAT +ATOM 40084 H2 TIP3 11258 11.864 42.780 -0.817 1.00 0.00 WAT +ATOM 40085 OH2 TIP3 11259 12.409 41.275 0.374 1.00 0.00 WAT +ATOM 40086 H1 TIP3 11259 11.614 40.894 0.792 1.00 0.00 WAT +ATOM 40087 H2 TIP3 11259 12.970 41.512 1.136 1.00 0.00 WAT +ATOM 40088 OH2 TIP3 11260 12.576 40.928 -3.093 1.00 0.00 WAT +ATOM 40089 H1 TIP3 11260 11.951 41.171 -3.803 1.00 0.00 WAT +ATOM 40090 H2 TIP3 11260 12.456 41.665 -2.484 1.00 0.00 WAT +ATOM 40091 OH2 TIP3 11261 10.856 38.428 -4.749 1.00 0.00 WAT +ATOM 40092 H1 TIP3 11261 11.049 39.072 -5.446 1.00 0.00 WAT +ATOM 40093 H2 TIP3 11261 10.618 37.626 -5.254 1.00 0.00 WAT +ATOM 40094 OH2 TIP3 11262 10.054 39.667 1.094 1.00 0.00 WAT +ATOM 40095 H1 TIP3 11262 10.108 38.704 0.977 1.00 0.00 WAT +ATOM 40096 H2 TIP3 11262 9.763 39.741 2.027 1.00 0.00 WAT +ATOM 40097 OH2 TIP3 11263 -5.008 41.859 5.106 1.00 0.00 WAT +ATOM 40098 H1 TIP3 11263 -4.906 42.034 4.158 1.00 0.00 WAT +ATOM 40099 H2 TIP3 11263 -4.096 41.615 5.367 1.00 0.00 WAT +ATOM 40100 OH2 TIP3 11264 10.986 41.610 10.366 1.00 0.00 WAT +ATOM 40101 H1 TIP3 11264 11.715 41.006 10.614 1.00 0.00 WAT +ATOM 40102 H2 TIP3 11264 11.427 42.435 10.098 1.00 0.00 WAT +ATOM 40103 OH2 TIP3 11265 12.419 39.652 11.519 1.00 0.00 WAT +ATOM 40104 H1 TIP3 11265 11.612 39.124 11.339 1.00 0.00 WAT +ATOM 40105 H2 TIP3 11265 13.104 38.960 11.555 1.00 0.00 WAT +ATOM 40106 OH2 TIP3 11266 10.314 35.782 -5.571 1.00 0.00 WAT +ATOM 40107 H1 TIP3 11266 10.892 35.290 -4.961 1.00 0.00 WAT +ATOM 40108 H2 TIP3 11266 9.510 35.243 -5.615 1.00 0.00 WAT +ATOM 40109 OH2 TIP3 11267 10.133 37.059 -0.594 1.00 0.00 WAT +ATOM 40110 H1 TIP3 11267 10.376 36.109 -0.545 1.00 0.00 WAT +ATOM 40111 H2 TIP3 11267 10.935 37.420 -1.012 1.00 0.00 WAT +ATOM 40112 OH2 TIP3 11268 10.352 37.684 4.821 1.00 0.00 WAT +ATOM 40113 H1 TIP3 11268 11.324 37.794 4.808 1.00 0.00 WAT +ATOM 40114 H2 TIP3 11268 10.195 37.705 5.781 1.00 0.00 WAT +ATOM 40115 OH2 TIP3 11269 10.522 38.373 7.653 1.00 0.00 WAT +ATOM 40116 H1 TIP3 11269 9.656 38.750 7.892 1.00 0.00 WAT +ATOM 40117 H2 TIP3 11269 11.027 39.175 7.407 1.00 0.00 WAT +ATOM 40118 OH2 TIP3 11270 -5.006 37.163 11.345 1.00 0.00 WAT +ATOM 40119 H1 TIP3 11270 -4.071 36.895 11.338 1.00 0.00 WAT +ATOM 40120 H2 TIP3 11270 -5.452 36.298 11.387 1.00 0.00 WAT +ATOM 40121 OH2 TIP3 11271 13.072 32.529 12.936 1.00 0.00 WAT +ATOM 40122 H1 TIP3 11271 13.481 31.833 12.388 1.00 0.00 WAT +ATOM 40123 H2 TIP3 11271 13.103 33.301 12.340 1.00 0.00 WAT +ATOM 40124 OH2 TIP3 11272 10.588 34.272 -0.636 1.00 0.00 WAT +ATOM 40125 H1 TIP3 11272 10.704 33.938 0.271 1.00 0.00 WAT +ATOM 40126 H2 TIP3 11272 9.793 33.776 -0.922 1.00 0.00 WAT +ATOM 40127 OH2 TIP3 11273 -4.234 35.467 4.125 1.00 0.00 WAT +ATOM 40128 H1 TIP3 11273 -3.778 34.610 4.186 1.00 0.00 WAT +ATOM 40129 H2 TIP3 11273 -3.543 36.066 4.466 1.00 0.00 WAT +ATOM 40130 OH2 TIP3 11274 -5.680 38.153 5.182 1.00 0.00 WAT +ATOM 40131 H1 TIP3 11274 -5.094 38.116 4.410 1.00 0.00 WAT +ATOM 40132 H2 TIP3 11274 -5.350 38.943 5.629 1.00 0.00 WAT +ATOM 40133 OH2 TIP3 11275 12.455 34.581 11.174 1.00 0.00 WAT +ATOM 40134 H1 TIP3 11275 11.573 34.993 11.228 1.00 0.00 WAT +ATOM 40135 H2 TIP3 11275 12.330 34.022 10.384 1.00 0.00 WAT +ATOM 40136 OH2 TIP3 11276 12.548 34.753 -3.971 1.00 0.00 WAT +ATOM 40137 H1 TIP3 11276 12.865 33.950 -4.420 1.00 0.00 WAT +ATOM 40138 H2 TIP3 11276 13.364 35.273 -3.887 1.00 0.00 WAT +ATOM 40139 OH2 TIP3 11277 -5.191 34.476 -0.776 1.00 0.00 WAT +ATOM 40140 H1 TIP3 11277 -6.139 34.520 -0.985 1.00 0.00 WAT +ATOM 40141 H2 TIP3 11277 -4.790 35.081 -1.432 1.00 0.00 WAT +ATOM 40142 OH2 TIP3 11278 -5.144 33.391 7.390 1.00 0.00 WAT +ATOM 40143 H1 TIP3 11278 -5.862 33.086 7.961 1.00 0.00 WAT +ATOM 40144 H2 TIP3 11278 -5.641 33.873 6.705 1.00 0.00 WAT +ATOM 40145 OH2 TIP3 11279 11.324 32.805 9.157 1.00 0.00 WAT +ATOM 40146 H1 TIP3 11279 10.513 32.995 8.654 1.00 0.00 WAT +ATOM 40147 H2 TIP3 11279 11.536 31.904 8.835 1.00 0.00 WAT +ATOM 40148 OH2 TIP3 11280 4.731 34.305 3.609 1.00 0.00 WAT +ATOM 40149 H1 TIP3 11280 4.052 33.621 3.772 1.00 0.00 WAT +ATOM 40150 H2 TIP3 11280 5.346 33.833 3.024 1.00 0.00 WAT +ATOM 40151 OH2 TIP3 11281 9.696 32.343 4.098 1.00 0.00 WAT +ATOM 40152 H1 TIP3 11281 10.457 32.769 3.667 1.00 0.00 WAT +ATOM 40153 H2 TIP3 11281 8.955 32.605 3.526 1.00 0.00 WAT +ATOM 40154 OH2 TIP3 11282 11.772 33.427 1.954 1.00 0.00 WAT +ATOM 40155 H1 TIP3 11282 12.484 33.002 1.443 1.00 0.00 WAT +ATOM 40156 H2 TIP3 11282 12.105 34.343 2.040 1.00 0.00 WAT +ATOM 40157 OH2 TIP3 11283 -2.990 32.945 1.179 1.00 0.00 WAT +ATOM 40158 H1 TIP3 11283 -3.832 32.830 0.699 1.00 0.00 WAT +ATOM 40159 H2 TIP3 11283 -2.577 32.071 1.035 1.00 0.00 WAT +ATOM 40160 OH2 TIP3 11284 -4.118 32.518 -2.962 1.00 0.00 WAT +ATOM 40161 H1 TIP3 11284 -3.584 33.172 -3.451 1.00 0.00 WAT +ATOM 40162 H2 TIP3 11284 -4.495 33.051 -2.245 1.00 0.00 WAT +ATOM 40163 OH2 TIP3 11285 1.558 32.846 1.048 1.00 0.00 WAT +ATOM 40164 H1 TIP3 11285 2.485 33.106 0.913 1.00 0.00 WAT +ATOM 40165 H2 TIP3 11285 1.533 32.724 2.003 1.00 0.00 WAT +ATOM 40166 OH2 TIP3 11286 7.146 32.882 2.463 1.00 0.00 WAT +ATOM 40167 H1 TIP3 11286 7.431 32.701 1.557 1.00 0.00 WAT +ATOM 40168 H2 TIP3 11286 6.768 32.021 2.724 1.00 0.00 WAT +ATOM 40169 OH2 TIP3 11287 8.264 32.883 -1.542 1.00 0.00 WAT +ATOM 40170 H1 TIP3 11287 7.437 33.376 -1.694 1.00 0.00 WAT +ATOM 40171 H2 TIP3 11287 7.921 31.984 -1.392 1.00 0.00 WAT +ATOM 40172 OH2 TIP3 11288 -2.378 34.335 -4.509 1.00 0.00 WAT +ATOM 40173 H1 TIP3 11288 -1.772 33.763 -5.009 1.00 0.00 WAT +ATOM 40174 H2 TIP3 11288 -1.786 34.658 -3.802 1.00 0.00 WAT +ATOM 40175 OH2 TIP3 11289 2.713 34.507 -1.895 1.00 0.00 WAT +ATOM 40176 H1 TIP3 11289 3.056 33.925 -1.200 1.00 0.00 WAT +ATOM 40177 H2 TIP3 11289 2.915 35.374 -1.508 1.00 0.00 WAT +ATOM 40178 OH2 TIP3 11290 -3.110 33.248 10.717 1.00 0.00 WAT +ATOM 40179 H1 TIP3 11290 -3.507 32.428 11.061 1.00 0.00 WAT +ATOM 40180 H2 TIP3 11290 -2.181 33.117 10.966 1.00 0.00 WAT +ATOM 40181 OH2 TIP3 11291 -0.719 32.638 12.453 1.00 0.00 WAT +ATOM 40182 H1 TIP3 11291 0.097 32.288 12.041 1.00 0.00 WAT +ATOM 40183 H2 TIP3 11291 -1.069 31.835 12.872 1.00 0.00 WAT +ATOM 40184 OH2 TIP3 11292 7.404 31.753 12.619 1.00 0.00 WAT +ATOM 40185 H1 TIP3 11292 7.441 31.323 13.494 1.00 0.00 WAT +ATOM 40186 H2 TIP3 11292 8.339 31.707 12.346 1.00 0.00 WAT +ATOM 40187 OH2 TIP3 11293 24.982 42.033 1.257 1.00 0.00 WAT +ATOM 40188 H1 TIP3 11293 24.679 42.950 1.260 1.00 0.00 WAT +ATOM 40189 H2 TIP3 11293 24.244 41.603 0.800 1.00 0.00 WAT +ATOM 40190 OH2 TIP3 11294 23.771 41.326 4.543 1.00 0.00 WAT +ATOM 40191 H1 TIP3 11294 23.817 40.791 5.352 1.00 0.00 WAT +ATOM 40192 H2 TIP3 11294 23.536 40.677 3.870 1.00 0.00 WAT +ATOM 40193 OH2 TIP3 11295 16.228 40.818 6.149 1.00 0.00 WAT +ATOM 40194 H1 TIP3 11295 16.211 40.068 6.770 1.00 0.00 WAT +ATOM 40195 H2 TIP3 11295 16.967 41.329 6.506 1.00 0.00 WAT +ATOM 40196 OH2 TIP3 11296 13.935 38.849 0.066 1.00 0.00 WAT +ATOM 40197 H1 TIP3 11296 13.501 39.719 0.142 1.00 0.00 WAT +ATOM 40198 H2 TIP3 11296 13.236 38.325 -0.343 1.00 0.00 WAT +ATOM 40199 OH2 TIP3 11297 14.867 41.352 1.939 1.00 0.00 WAT +ATOM 40200 H1 TIP3 11297 14.864 40.550 2.495 1.00 0.00 WAT +ATOM 40201 H2 TIP3 11297 15.670 41.200 1.429 1.00 0.00 WAT +ATOM 40202 OH2 TIP3 11298 30.976 35.216 5.722 1.00 0.00 WAT +ATOM 40203 H1 TIP3 11298 31.218 35.847 6.420 1.00 0.00 WAT +ATOM 40204 H2 TIP3 11298 31.578 35.501 5.008 1.00 0.00 WAT +ATOM 40205 OH2 TIP3 11299 25.612 38.036 5.599 1.00 0.00 WAT +ATOM 40206 H1 TIP3 11299 25.748 37.075 5.638 1.00 0.00 WAT +ATOM 40207 H2 TIP3 11299 25.523 38.180 4.645 1.00 0.00 WAT +ATOM 40208 OH2 TIP3 11300 18.587 36.054 2.671 1.00 0.00 WAT +ATOM 40209 H1 TIP3 11300 18.717 36.911 2.219 1.00 0.00 WAT +ATOM 40210 H2 TIP3 11300 18.232 35.532 1.924 1.00 0.00 WAT +ATOM 40211 OH2 TIP3 11301 26.431 36.225 0.984 1.00 0.00 WAT +ATOM 40212 H1 TIP3 11301 27.018 35.802 1.649 1.00 0.00 WAT +ATOM 40213 H2 TIP3 11301 27.086 36.672 0.428 1.00 0.00 WAT +ATOM 40214 OH2 TIP3 11302 15.244 38.769 3.180 1.00 0.00 WAT +ATOM 40215 H1 TIP3 11302 15.887 38.308 3.743 1.00 0.00 WAT +ATOM 40216 H2 TIP3 11302 15.350 38.291 2.337 1.00 0.00 WAT +ATOM 40217 OH2 TIP3 11303 20.677 40.185 2.656 1.00 0.00 WAT +ATOM 40218 H1 TIP3 11303 21.352 39.596 3.051 1.00 0.00 WAT +ATOM 40219 H2 TIP3 11303 20.127 39.545 2.165 1.00 0.00 WAT +ATOM 40220 OH2 TIP3 11304 31.714 36.608 8.214 1.00 0.00 WAT +ATOM 40221 H1 TIP3 11304 31.128 37.322 7.903 1.00 0.00 WAT +ATOM 40222 H2 TIP3 11304 31.456 36.561 9.143 1.00 0.00 WAT +ATOM 40223 OH2 TIP3 11305 17.374 34.840 6.826 1.00 0.00 WAT +ATOM 40224 H1 TIP3 11305 16.974 35.353 6.108 1.00 0.00 WAT +ATOM 40225 H2 TIP3 11305 16.718 34.982 7.538 1.00 0.00 WAT +ATOM 40226 OH2 TIP3 11306 20.095 42.657 6.603 1.00 0.00 WAT +ATOM 40227 H1 TIP3 11306 19.288 43.190 6.672 1.00 0.00 WAT +ATOM 40228 H2 TIP3 11306 20.751 43.365 6.528 1.00 0.00 WAT +ATOM 40229 OH2 TIP3 11307 28.255 35.455 3.021 1.00 0.00 WAT +ATOM 40230 H1 TIP3 11307 27.856 34.880 3.686 1.00 0.00 WAT +ATOM 40231 H2 TIP3 11307 28.775 36.066 3.572 1.00 0.00 WAT +ATOM 40232 OH2 TIP3 11308 16.976 36.887 4.765 1.00 0.00 WAT +ATOM 40233 H1 TIP3 11308 17.616 37.458 5.240 1.00 0.00 WAT +ATOM 40234 H2 TIP3 11308 17.555 36.527 4.057 1.00 0.00 WAT +ATOM 40235 OH2 TIP3 11309 28.391 34.615 6.864 1.00 0.00 WAT +ATOM 40236 H1 TIP3 11309 27.620 35.009 6.414 1.00 0.00 WAT +ATOM 40237 H2 TIP3 11309 29.114 34.809 6.237 1.00 0.00 WAT +ATOM 40238 OH2 TIP3 11310 21.505 32.323 3.901 1.00 0.00 WAT +ATOM 40239 H1 TIP3 11310 21.286 31.377 3.870 1.00 0.00 WAT +ATOM 40240 H2 TIP3 11310 20.685 32.711 4.275 1.00 0.00 WAT +ATOM 40241 OH2 TIP3 11311 23.490 41.444 -1.345 1.00 0.00 WAT +ATOM 40242 H1 TIP3 11311 22.843 41.776 -1.979 1.00 0.00 WAT +ATOM 40243 H2 TIP3 11311 24.269 41.337 -1.922 1.00 0.00 WAT +ATOM 40244 OH2 TIP3 11312 23.897 39.424 -4.164 1.00 0.00 WAT +ATOM 40245 H1 TIP3 11312 24.628 39.789 -3.634 1.00 0.00 WAT +ATOM 40246 H2 TIP3 11312 24.390 38.920 -4.827 1.00 0.00 WAT +ATOM 40247 OH2 TIP3 11313 31.021 40.557 6.906 1.00 0.00 WAT +ATOM 40248 H1 TIP3 11313 30.364 41.276 7.029 1.00 0.00 WAT +ATOM 40249 H2 TIP3 11313 31.529 40.944 6.162 1.00 0.00 WAT +ATOM 40250 OH2 TIP3 11314 27.208 41.407 -0.331 1.00 0.00 WAT +ATOM 40251 H1 TIP3 11314 26.551 41.618 0.360 1.00 0.00 WAT +ATOM 40252 H2 TIP3 11314 27.872 40.898 0.170 1.00 0.00 WAT +ATOM 40253 OH2 TIP3 11315 26.940 39.808 8.592 1.00 0.00 WAT +ATOM 40254 H1 TIP3 11315 26.969 40.584 9.174 1.00 0.00 WAT +ATOM 40255 H2 TIP3 11315 26.381 40.168 7.880 1.00 0.00 WAT +ATOM 40256 OH2 TIP3 11316 18.718 42.052 1.615 1.00 0.00 WAT +ATOM 40257 H1 TIP3 11316 18.534 41.815 0.688 1.00 0.00 WAT +ATOM 40258 H2 TIP3 11316 19.527 41.544 1.795 1.00 0.00 WAT +ATOM 40259 OH2 TIP3 11317 19.252 40.688 5.000 1.00 0.00 WAT +ATOM 40260 H1 TIP3 11317 19.841 40.736 4.221 1.00 0.00 WAT +ATOM 40261 H2 TIP3 11317 19.587 41.421 5.559 1.00 0.00 WAT +ATOM 40262 OH2 TIP3 11318 26.007 40.748 -2.694 1.00 0.00 WAT +ATOM 40263 H1 TIP3 11318 26.589 41.010 -1.943 1.00 0.00 WAT +ATOM 40264 H2 TIP3 11318 26.477 41.194 -3.445 1.00 0.00 WAT +ATOM 40265 OH2 TIP3 11319 17.127 41.475 8.868 1.00 0.00 WAT +ATOM 40266 H1 TIP3 11319 17.242 42.109 9.614 1.00 0.00 WAT +ATOM 40267 H2 TIP3 11319 16.158 41.387 8.861 1.00 0.00 WAT +ATOM 40268 OH2 TIP3 11320 29.512 32.471 -3.281 1.00 0.00 WAT +ATOM 40269 H1 TIP3 11320 28.653 32.576 -2.835 1.00 0.00 WAT +ATOM 40270 H2 TIP3 11320 29.877 33.369 -3.233 1.00 0.00 WAT +ATOM 40271 OH2 TIP3 11321 17.601 40.888 -0.883 1.00 0.00 WAT +ATOM 40272 H1 TIP3 11321 17.452 41.669 -1.457 1.00 0.00 WAT +ATOM 40273 H2 TIP3 11321 16.983 40.244 -1.248 1.00 0.00 WAT +ATOM 40274 OH2 TIP3 11322 13.534 43.082 7.891 1.00 0.00 WAT +ATOM 40275 H1 TIP3 11322 13.595 42.930 6.935 1.00 0.00 WAT +ATOM 40276 H2 TIP3 11322 13.904 42.253 8.253 1.00 0.00 WAT +ATOM 40277 OH2 TIP3 11323 28.928 38.375 10.931 1.00 0.00 WAT +ATOM 40278 H1 TIP3 11323 28.420 38.756 10.201 1.00 0.00 WAT +ATOM 40279 H2 TIP3 11323 28.980 37.440 10.657 1.00 0.00 WAT +ATOM 40280 OH2 TIP3 11324 19.093 33.468 4.826 1.00 0.00 WAT +ATOM 40281 H1 TIP3 11324 18.267 33.426 4.311 1.00 0.00 WAT +ATOM 40282 H2 TIP3 11324 18.889 34.219 5.406 1.00 0.00 WAT +ATOM 40283 OH2 TIP3 11325 23.465 33.053 8.457 1.00 0.00 WAT +ATOM 40284 H1 TIP3 11325 23.989 32.539 9.103 1.00 0.00 WAT +ATOM 40285 H2 TIP3 11325 22.558 32.724 8.599 1.00 0.00 WAT +ATOM 40286 OH2 TIP3 11326 26.636 36.854 8.997 1.00 0.00 WAT +ATOM 40287 H1 TIP3 11326 26.013 36.704 9.731 1.00 0.00 WAT +ATOM 40288 H2 TIP3 11326 26.544 37.806 8.816 1.00 0.00 WAT +ATOM 40289 OH2 TIP3 11327 27.398 41.768 -4.756 1.00 0.00 WAT +ATOM 40290 H1 TIP3 11327 27.352 41.580 -5.708 1.00 0.00 WAT +ATOM 40291 H2 TIP3 11327 28.294 42.152 -4.686 1.00 0.00 WAT +ATOM 40292 OH2 TIP3 11328 23.265 35.576 -4.267 1.00 0.00 WAT +ATOM 40293 H1 TIP3 11328 22.769 35.442 -3.447 1.00 0.00 WAT +ATOM 40294 H2 TIP3 11328 22.858 34.901 -4.837 1.00 0.00 WAT +ATOM 40295 OH2 TIP3 11329 18.952 38.240 6.258 1.00 0.00 WAT +ATOM 40296 H1 TIP3 11329 18.350 38.382 7.008 1.00 0.00 WAT +ATOM 40297 H2 TIP3 11329 19.039 39.145 5.883 1.00 0.00 WAT +ATOM 40298 OH2 TIP3 11330 18.895 38.343 1.109 1.00 0.00 WAT +ATOM 40299 H1 TIP3 11330 17.937 38.263 0.943 1.00 0.00 WAT +ATOM 40300 H2 TIP3 11330 19.243 38.157 0.214 1.00 0.00 WAT +ATOM 40301 OH2 TIP3 11331 24.501 38.988 -0.088 1.00 0.00 WAT +ATOM 40302 H1 TIP3 11331 24.044 39.750 -0.490 1.00 0.00 WAT +ATOM 40303 H2 TIP3 11331 25.179 38.789 -0.758 1.00 0.00 WAT +ATOM 40304 OH2 TIP3 11332 23.696 39.209 11.327 1.00 0.00 WAT +ATOM 40305 H1 TIP3 11332 23.193 38.435 11.647 1.00 0.00 WAT +ATOM 40306 H2 TIP3 11332 24.583 39.041 11.698 1.00 0.00 WAT +ATOM 40307 OH2 TIP3 11333 25.334 38.302 2.662 1.00 0.00 WAT +ATOM 40308 H1 TIP3 11333 25.064 38.853 1.901 1.00 0.00 WAT +ATOM 40309 H2 TIP3 11333 25.586 37.488 2.181 1.00 0.00 WAT +ATOM 40310 OH2 TIP3 11334 16.338 38.409 8.026 1.00 0.00 WAT +ATOM 40311 H1 TIP3 11334 16.553 38.784 8.888 1.00 0.00 WAT +ATOM 40312 H2 TIP3 11334 15.977 37.539 8.273 1.00 0.00 WAT +ATOM 40313 OH2 TIP3 11335 19.704 36.034 -5.361 1.00 0.00 WAT +ATOM 40314 H1 TIP3 11335 19.338 35.666 -4.532 1.00 0.00 WAT +ATOM 40315 H2 TIP3 11335 18.913 36.157 -5.899 1.00 0.00 WAT +ATOM 40316 OH2 TIP3 11336 13.138 35.910 1.709 1.00 0.00 WAT +ATOM 40317 H1 TIP3 11336 13.748 35.884 2.469 1.00 0.00 WAT +ATOM 40318 H2 TIP3 11336 13.654 35.516 0.989 1.00 0.00 WAT +ATOM 40319 OH2 TIP3 11337 14.732 36.337 -2.576 1.00 0.00 WAT +ATOM 40320 H1 TIP3 11337 15.274 36.817 -3.236 1.00 0.00 WAT +ATOM 40321 H2 TIP3 11337 14.033 36.991 -2.404 1.00 0.00 WAT +ATOM 40322 OH2 TIP3 11338 24.325 39.965 7.100 1.00 0.00 WAT +ATOM 40323 H1 TIP3 11338 24.864 39.300 6.618 1.00 0.00 WAT +ATOM 40324 H2 TIP3 11338 24.048 39.453 7.874 1.00 0.00 WAT +ATOM 40325 OH2 TIP3 11339 21.658 35.915 2.143 1.00 0.00 WAT +ATOM 40326 H1 TIP3 11339 20.712 35.914 2.371 1.00 0.00 WAT +ATOM 40327 H2 TIP3 11339 22.066 35.763 3.013 1.00 0.00 WAT +ATOM 40328 OH2 TIP3 11340 16.216 37.163 0.829 1.00 0.00 WAT +ATOM 40329 H1 TIP3 11340 15.414 37.436 0.349 1.00 0.00 WAT +ATOM 40330 H2 TIP3 11340 16.515 36.376 0.336 1.00 0.00 WAT +ATOM 40331 OH2 TIP3 11341 19.865 37.508 -1.503 1.00 0.00 WAT +ATOM 40332 H1 TIP3 11341 20.834 37.585 -1.459 1.00 0.00 WAT +ATOM 40333 H2 TIP3 11341 19.616 38.096 -2.236 1.00 0.00 WAT +ATOM 40334 OH2 TIP3 11342 26.050 35.069 5.162 1.00 0.00 WAT +ATOM 40335 H1 TIP3 11342 25.408 35.084 5.906 1.00 0.00 WAT +ATOM 40336 H2 TIP3 11342 25.471 34.738 4.454 1.00 0.00 WAT +ATOM 40337 OH2 TIP3 11343 18.301 38.758 -3.722 1.00 0.00 WAT +ATOM 40338 H1 TIP3 11343 17.740 38.443 -4.447 1.00 0.00 WAT +ATOM 40339 H2 TIP3 11343 19.121 38.972 -4.202 1.00 0.00 WAT +ATOM 40340 OH2 TIP3 11344 17.243 43.162 10.939 1.00 0.00 WAT +ATOM 40341 H1 TIP3 11344 17.803 43.642 11.581 1.00 0.00 WAT +ATOM 40342 H2 TIP3 11344 16.431 43.040 11.479 1.00 0.00 WAT +ATOM 40343 OH2 TIP3 11345 22.659 38.479 3.951 1.00 0.00 WAT +ATOM 40344 H1 TIP3 11345 23.432 38.086 3.519 1.00 0.00 WAT +ATOM 40345 H2 TIP3 11345 22.534 37.889 4.720 1.00 0.00 WAT +ATOM 40346 OH2 TIP3 11346 17.986 34.893 0.152 1.00 0.00 WAT +ATOM 40347 H1 TIP3 11346 17.427 34.109 0.280 1.00 0.00 WAT +ATOM 40348 H2 TIP3 11346 18.770 34.522 -0.275 1.00 0.00 WAT +ATOM 40349 OH2 TIP3 11347 21.646 36.934 6.211 1.00 0.00 WAT +ATOM 40350 H1 TIP3 11347 20.876 37.526 6.221 1.00 0.00 WAT +ATOM 40351 H2 TIP3 11347 22.146 37.208 7.004 1.00 0.00 WAT +ATOM 40352 OH2 TIP3 11348 21.297 43.651 -1.595 1.00 0.00 WAT +ATOM 40353 H1 TIP3 11348 20.985 43.020 -2.269 1.00 0.00 WAT +ATOM 40354 H2 TIP3 11348 21.931 43.166 -1.064 1.00 0.00 WAT +ATOM 40355 OH2 TIP3 11349 29.259 42.664 6.784 1.00 0.00 WAT +ATOM 40356 H1 TIP3 11349 29.512 43.115 5.958 1.00 0.00 WAT +ATOM 40357 H2 TIP3 11349 28.308 42.556 6.594 1.00 0.00 WAT +ATOM 40358 OH2 TIP3 11350 25.948 36.148 -4.107 1.00 0.00 WAT +ATOM 40359 H1 TIP3 11350 24.966 36.143 -4.163 1.00 0.00 WAT +ATOM 40360 H2 TIP3 11350 26.136 36.890 -3.499 1.00 0.00 WAT +ATOM 40361 OH2 TIP3 11351 26.627 37.982 -2.035 1.00 0.00 WAT +ATOM 40362 H1 TIP3 11351 27.513 37.808 -1.660 1.00 0.00 WAT +ATOM 40363 H2 TIP3 11351 26.754 38.842 -2.473 1.00 0.00 WAT +ATOM 40364 OH2 TIP3 11352 17.186 42.471 3.805 1.00 0.00 WAT +ATOM 40365 H1 TIP3 11352 17.791 42.391 3.035 1.00 0.00 WAT +ATOM 40366 H2 TIP3 11352 17.329 41.619 4.245 1.00 0.00 WAT +ATOM 40367 OH2 TIP3 11353 14.271 40.797 9.154 1.00 0.00 WAT +ATOM 40368 H1 TIP3 11353 14.357 40.425 10.053 1.00 0.00 WAT +ATOM 40369 H2 TIP3 11353 13.521 40.304 8.782 1.00 0.00 WAT +ATOM 40370 OH2 TIP3 11354 21.148 40.495 11.196 1.00 0.00 WAT +ATOM 40371 H1 TIP3 11354 20.810 40.278 10.312 1.00 0.00 WAT +ATOM 40372 H2 TIP3 11354 22.093 40.276 11.099 1.00 0.00 WAT +ATOM 40373 OH2 TIP3 11355 31.197 37.979 -2.303 1.00 0.00 WAT +ATOM 40374 H1 TIP3 11355 30.672 37.771 -3.101 1.00 0.00 WAT +ATOM 40375 H2 TIP3 11355 31.338 38.932 -2.468 1.00 0.00 WAT +ATOM 40376 OH2 TIP3 11356 26.680 41.807 5.460 1.00 0.00 WAT +ATOM 40377 H1 TIP3 11356 25.768 41.823 5.127 1.00 0.00 WAT +ATOM 40378 H2 TIP3 11356 27.157 41.344 4.754 1.00 0.00 WAT +ATOM 40379 OH2 TIP3 11357 15.226 40.946 -4.286 1.00 0.00 WAT +ATOM 40380 H1 TIP3 11357 15.822 41.545 -3.810 1.00 0.00 WAT +ATOM 40381 H2 TIP3 11357 14.376 41.124 -3.833 1.00 0.00 WAT +ATOM 40382 OH2 TIP3 11358 15.495 35.650 8.825 1.00 0.00 WAT +ATOM 40383 H1 TIP3 11358 14.589 35.897 8.556 1.00 0.00 WAT +ATOM 40384 H2 TIP3 11358 15.349 34.774 9.225 1.00 0.00 WAT +ATOM 40385 OH2 TIP3 11359 16.994 -43.875 -2.438 1.00 0.00 WAT +ATOM 40386 H1 TIP3 11359 16.092 -43.523 -2.291 1.00 0.00 WAT +ATOM 40387 H2 TIP3 11359 17.461 -43.060 -2.678 1.00 0.00 WAT +ATOM 40388 OH2 TIP3 11360 24.469 35.485 7.357 1.00 0.00 WAT +ATOM 40389 H1 TIP3 11360 25.081 35.758 8.055 1.00 0.00 WAT +ATOM 40390 H2 TIP3 11360 23.978 34.750 7.773 1.00 0.00 WAT +ATOM 40391 OH2 TIP3 11361 25.091 34.928 -1.382 1.00 0.00 WAT +ATOM 40392 H1 TIP3 11361 25.280 35.444 -2.182 1.00 0.00 WAT +ATOM 40393 H2 TIP3 11361 25.567 35.432 -0.700 1.00 0.00 WAT +ATOM 40394 OH2 TIP3 11362 22.529 36.920 -0.436 1.00 0.00 WAT +ATOM 40395 H1 TIP3 11362 23.291 37.514 -0.289 1.00 0.00 WAT +ATOM 40396 H2 TIP3 11362 22.226 36.757 0.477 1.00 0.00 WAT +ATOM 40397 OH2 TIP3 11363 22.918 37.911 8.739 1.00 0.00 WAT +ATOM 40398 H1 TIP3 11363 22.958 38.403 9.574 1.00 0.00 WAT +ATOM 40399 H2 TIP3 11363 23.404 37.106 8.964 1.00 0.00 WAT +ATOM 40400 OH2 TIP3 11364 23.099 33.926 0.505 1.00 0.00 WAT +ATOM 40401 H1 TIP3 11364 22.891 34.627 1.153 1.00 0.00 WAT +ATOM 40402 H2 TIP3 11364 23.829 34.342 0.004 1.00 0.00 WAT +ATOM 40403 OH2 TIP3 11365 18.835 34.939 -2.966 1.00 0.00 WAT +ATOM 40404 H1 TIP3 11365 18.857 35.707 -2.370 1.00 0.00 WAT +ATOM 40405 H2 TIP3 11365 19.652 34.472 -2.699 1.00 0.00 WAT +ATOM 40406 OH2 TIP3 11366 29.167 35.841 9.610 1.00 0.00 WAT +ATOM 40407 H1 TIP3 11366 28.207 35.971 9.464 1.00 0.00 WAT +ATOM 40408 H2 TIP3 11366 29.416 35.619 8.700 1.00 0.00 WAT +ATOM 40409 OH2 TIP3 11367 27.692 39.670 3.565 1.00 0.00 WAT +ATOM 40410 H1 TIP3 11367 26.850 39.226 3.368 1.00 0.00 WAT +ATOM 40411 H2 TIP3 11367 28.164 38.992 4.093 1.00 0.00 WAT +ATOM 40412 OH2 TIP3 11368 15.360 38.001 -4.754 1.00 0.00 WAT +ATOM 40413 H1 TIP3 11368 15.509 38.947 -4.588 1.00 0.00 WAT +ATOM 40414 H2 TIP3 11368 14.517 38.008 -5.222 1.00 0.00 WAT +ATOM 40415 OH2 TIP3 11369 16.326 33.033 3.999 1.00 0.00 WAT +ATOM 40416 H1 TIP3 11369 16.127 33.024 3.040 1.00 0.00 WAT +ATOM 40417 H2 TIP3 11369 15.952 32.185 4.302 1.00 0.00 WAT +ATOM 40418 OH2 TIP3 11370 14.791 43.071 12.062 1.00 0.00 WAT +ATOM 40419 H1 TIP3 11370 14.578 42.122 12.100 1.00 0.00 WAT +ATOM 40420 H2 TIP3 11370 13.975 43.496 11.785 1.00 0.00 WAT +ATOM 40421 OH2 TIP3 11371 20.697 43.286 11.595 1.00 0.00 WAT +ATOM 40422 H1 TIP3 11371 20.709 43.459 10.632 1.00 0.00 WAT +ATOM 40423 H2 TIP3 11371 21.046 42.374 11.632 1.00 0.00 WAT +ATOM 40424 OH2 TIP3 11372 26.719 -43.761 9.339 1.00 0.00 WAT +ATOM 40425 H1 TIP3 11372 27.506 -43.320 8.990 1.00 0.00 WAT +ATOM 40426 H2 TIP3 11372 26.032 -43.114 9.133 1.00 0.00 WAT +ATOM 40427 OH2 TIP3 11373 15.371 40.236 11.782 1.00 0.00 WAT +ATOM 40428 H1 TIP3 11373 16.153 39.660 11.714 1.00 0.00 WAT +ATOM 40429 H2 TIP3 11373 15.386 40.452 12.732 1.00 0.00 WAT +ATOM 40430 OH2 TIP3 11374 19.954 41.608 -3.142 1.00 0.00 WAT +ATOM 40431 H1 TIP3 11374 19.298 41.193 -2.569 1.00 0.00 WAT +ATOM 40432 H2 TIP3 11374 20.100 40.924 -3.823 1.00 0.00 WAT +ATOM 40433 OH2 TIP3 11375 19.106 39.329 9.179 1.00 0.00 WAT +ATOM 40434 H1 TIP3 11375 18.534 40.099 9.352 1.00 0.00 WAT +ATOM 40435 H2 TIP3 11375 19.734 39.698 8.533 1.00 0.00 WAT +ATOM 40436 OH2 TIP3 11376 20.782 39.566 -4.871 1.00 0.00 WAT +ATOM 40437 H1 TIP3 11376 20.756 39.710 -5.836 1.00 0.00 WAT +ATOM 40438 H2 TIP3 11376 21.742 39.560 -4.704 1.00 0.00 WAT +ATOM 40439 OH2 TIP3 11377 24.398 42.161 12.729 1.00 0.00 WAT +ATOM 40440 H1 TIP3 11377 25.262 41.945 12.363 1.00 0.00 WAT +ATOM 40441 H2 TIP3 11377 24.043 41.302 12.969 1.00 0.00 WAT +ATOM 40442 OH2 TIP3 11378 30.066 41.886 -5.646 1.00 0.00 WAT +ATOM 40443 H1 TIP3 11378 30.031 41.810 -6.612 1.00 0.00 WAT +ATOM 40444 H2 TIP3 11378 30.122 42.849 -5.486 1.00 0.00 WAT +ATOM 40445 OH2 TIP3 11379 19.674 36.635 10.293 1.00 0.00 WAT +ATOM 40446 H1 TIP3 11379 19.731 35.977 9.577 1.00 0.00 WAT +ATOM 40447 H2 TIP3 11379 19.460 37.446 9.800 1.00 0.00 WAT +ATOM 40448 OH2 TIP3 11380 20.004 35.092 7.734 1.00 0.00 WAT +ATOM 40449 H1 TIP3 11380 20.519 35.635 7.106 1.00 0.00 WAT +ATOM 40450 H2 TIP3 11380 19.091 35.148 7.382 1.00 0.00 WAT +ATOM 40451 OH2 TIP3 11381 21.503 40.664 8.054 1.00 0.00 WAT +ATOM 40452 H1 TIP3 11381 22.344 40.552 7.581 1.00 0.00 WAT +ATOM 40453 H2 TIP3 11381 21.148 41.476 7.650 1.00 0.00 WAT +ATOM 40454 OH2 TIP3 11382 26.142 38.490 12.926 1.00 0.00 WAT +ATOM 40455 H1 TIP3 11382 26.344 37.551 13.049 1.00 0.00 WAT +ATOM 40456 H2 TIP3 11382 27.031 38.872 12.872 1.00 0.00 WAT +ATOM 40457 OH2 TIP3 11383 27.093 41.369 11.288 1.00 0.00 WAT +ATOM 40458 H1 TIP3 11383 26.852 42.083 10.653 1.00 0.00 WAT +ATOM 40459 H2 TIP3 11383 27.998 41.176 10.986 1.00 0.00 WAT +ATOM 40460 OH2 TIP3 11384 17.812 38.509 12.082 1.00 0.00 WAT +ATOM 40461 H1 TIP3 11384 17.314 37.671 12.078 1.00 0.00 WAT +ATOM 40462 H2 TIP3 11384 18.641 38.245 11.654 1.00 0.00 WAT +ATOM 40463 OH2 TIP3 11385 20.717 32.428 8.092 1.00 0.00 WAT +ATOM 40464 H1 TIP3 11385 20.555 33.384 7.933 1.00 0.00 WAT +ATOM 40465 H2 TIP3 11385 20.003 32.027 7.562 1.00 0.00 WAT +ATOM 40466 OH2 TIP3 11386 21.996 37.008 11.877 1.00 0.00 WAT +ATOM 40467 H1 TIP3 11386 21.639 36.811 12.761 1.00 0.00 WAT +ATOM 40468 H2 TIP3 11386 21.198 36.816 11.339 1.00 0.00 WAT +ATOM 40469 OH2 TIP3 11387 24.515 36.066 10.750 1.00 0.00 WAT +ATOM 40470 H1 TIP3 11387 23.634 36.122 11.166 1.00 0.00 WAT +ATOM 40471 H2 TIP3 11387 24.970 35.428 11.332 1.00 0.00 WAT +ATOM 40472 OH2 TIP3 11388 26.386 34.537 12.482 1.00 0.00 WAT +ATOM 40473 H1 TIP3 11388 26.214 33.586 12.632 1.00 0.00 WAT +ATOM 40474 H2 TIP3 11388 26.180 34.941 13.345 1.00 0.00 WAT +ATOM 40475 OH2 TIP3 11389 16.542 35.941 11.931 1.00 0.00 WAT +ATOM 40476 H1 TIP3 11389 16.458 35.241 11.263 1.00 0.00 WAT +ATOM 40477 H2 TIP3 11389 16.314 35.458 12.749 1.00 0.00 WAT +ATOM 40478 OH2 TIP3 11390 20.560 31.924 10.913 1.00 0.00 WAT +ATOM 40479 H1 TIP3 11390 21.149 31.155 10.969 1.00 0.00 WAT +ATOM 40480 H2 TIP3 11390 20.538 32.074 9.948 1.00 0.00 WAT +ATOM 40481 OH2 TIP3 11391 21.503 33.788 12.767 1.00 0.00 WAT +ATOM 40482 H1 TIP3 11391 21.192 33.194 12.053 1.00 0.00 WAT +ATOM 40483 H2 TIP3 11391 20.815 34.470 12.787 1.00 0.00 WAT +ATOM 40484 OH2 TIP3 11392 30.888 43.614 -1.267 1.00 0.00 WAT +ATOM 40485 H1 TIP3 11392 31.843 43.616 -1.409 1.00 0.00 WAT +ATOM 40486 H2 TIP3 11392 30.728 42.787 -0.785 1.00 0.00 WAT +ATOM 40487 OH2 TIP3 11393 31.254 41.339 0.388 1.00 0.00 WAT +ATOM 40488 H1 TIP3 11393 30.489 40.881 0.787 1.00 0.00 WAT +ATOM 40489 H2 TIP3 11393 31.836 41.505 1.151 1.00 0.00 WAT +ATOM 40490 OH2 TIP3 11394 31.389 40.911 -3.048 1.00 0.00 WAT +ATOM 40491 H1 TIP3 11394 30.802 41.151 -3.790 1.00 0.00 WAT +ATOM 40492 H2 TIP3 11394 31.301 41.685 -2.480 1.00 0.00 WAT +ATOM 40493 OH2 TIP3 11395 29.697 38.443 -4.757 1.00 0.00 WAT +ATOM 40494 H1 TIP3 11395 29.920 39.059 -5.469 1.00 0.00 WAT +ATOM 40495 H2 TIP3 11395 29.471 37.623 -5.240 1.00 0.00 WAT +ATOM 40496 OH2 TIP3 11396 28.990 39.659 1.132 1.00 0.00 WAT +ATOM 40497 H1 TIP3 11396 28.984 38.698 0.993 1.00 0.00 WAT +ATOM 40498 H2 TIP3 11396 28.635 39.732 2.044 1.00 0.00 WAT +ATOM 40499 OH2 TIP3 11397 13.864 41.878 5.114 1.00 0.00 WAT +ATOM 40500 H1 TIP3 11397 13.957 42.034 4.161 1.00 0.00 WAT +ATOM 40501 H2 TIP3 11397 14.772 41.604 5.362 1.00 0.00 WAT +ATOM 40502 OH2 TIP3 11398 29.850 41.611 10.361 1.00 0.00 WAT +ATOM 40503 H1 TIP3 11398 30.577 41.009 10.619 1.00 0.00 WAT +ATOM 40504 H2 TIP3 11398 30.291 42.439 10.103 1.00 0.00 WAT +ATOM 40505 OH2 TIP3 11399 31.281 39.649 11.514 1.00 0.00 WAT +ATOM 40506 H1 TIP3 11399 30.467 39.131 11.335 1.00 0.00 WAT +ATOM 40507 H2 TIP3 11399 31.956 38.947 11.552 1.00 0.00 WAT +ATOM 40508 OH2 TIP3 11400 29.150 35.801 -5.537 1.00 0.00 WAT +ATOM 40509 H1 TIP3 11400 29.758 35.288 -4.976 1.00 0.00 WAT +ATOM 40510 H2 TIP3 11400 28.373 35.231 -5.620 1.00 0.00 WAT +ATOM 40511 OH2 TIP3 11401 28.983 37.062 -0.595 1.00 0.00 WAT +ATOM 40512 H1 TIP3 11401 29.233 36.114 -0.553 1.00 0.00 WAT +ATOM 40513 H2 TIP3 11401 29.782 37.430 -1.014 1.00 0.00 WAT +ATOM 40514 OH2 TIP3 11402 29.201 37.664 4.823 1.00 0.00 WAT +ATOM 40515 H1 TIP3 11402 30.171 37.791 4.799 1.00 0.00 WAT +ATOM 40516 H2 TIP3 11402 29.049 37.713 5.782 1.00 0.00 WAT +ATOM 40517 OH2 TIP3 11403 29.379 38.374 7.655 1.00 0.00 WAT +ATOM 40518 H1 TIP3 11403 28.512 38.751 7.893 1.00 0.00 WAT +ATOM 40519 H2 TIP3 11403 29.882 39.176 7.409 1.00 0.00 WAT +ATOM 40520 OH2 TIP3 11404 13.845 37.161 11.334 1.00 0.00 WAT +ATOM 40521 H1 TIP3 11404 14.782 36.902 11.345 1.00 0.00 WAT +ATOM 40522 H2 TIP3 11404 13.406 36.294 11.389 1.00 0.00 WAT +ATOM 40523 OH2 TIP3 11405 31.943 32.535 12.944 1.00 0.00 WAT +ATOM 40524 H1 TIP3 11405 32.338 31.836 12.389 1.00 0.00 WAT +ATOM 40525 H2 TIP3 11405 31.959 33.302 12.340 1.00 0.00 WAT +ATOM 40526 OH2 TIP3 11406 29.440 34.273 -0.638 1.00 0.00 WAT +ATOM 40527 H1 TIP3 11406 29.566 33.948 0.271 1.00 0.00 WAT +ATOM 40528 H2 TIP3 11406 28.643 33.776 -0.915 1.00 0.00 WAT +ATOM 40529 OH2 TIP3 11407 14.627 35.470 4.119 1.00 0.00 WAT +ATOM 40530 H1 TIP3 11407 15.087 34.617 4.198 1.00 0.00 WAT +ATOM 40531 H2 TIP3 11407 15.310 36.078 4.462 1.00 0.00 WAT +ATOM 40532 OH2 TIP3 11408 13.175 38.147 5.179 1.00 0.00 WAT +ATOM 40533 H1 TIP3 11408 13.768 38.122 4.410 1.00 0.00 WAT +ATOM 40534 H2 TIP3 11408 13.498 38.933 5.638 1.00 0.00 WAT +ATOM 40535 OH2 TIP3 11409 31.307 34.578 11.181 1.00 0.00 WAT +ATOM 40536 H1 TIP3 11409 30.427 34.995 11.225 1.00 0.00 WAT +ATOM 40537 H2 TIP3 11409 31.189 34.027 10.386 1.00 0.00 WAT +ATOM 40538 OH2 TIP3 11410 31.422 34.752 -3.960 1.00 0.00 WAT +ATOM 40539 H1 TIP3 11410 31.734 33.962 -4.432 1.00 0.00 WAT +ATOM 40540 H2 TIP3 11410 32.227 35.296 -3.933 1.00 0.00 WAT +ATOM 40541 OH2 TIP3 11411 13.671 34.480 -0.786 1.00 0.00 WAT +ATOM 40542 H1 TIP3 11411 12.722 34.529 -0.987 1.00 0.00 WAT +ATOM 40543 H2 TIP3 11411 14.070 35.090 -1.438 1.00 0.00 WAT +ATOM 40544 OH2 TIP3 11412 13.714 33.371 7.367 1.00 0.00 WAT +ATOM 40545 H1 TIP3 11412 13.007 33.095 7.966 1.00 0.00 WAT +ATOM 40546 H2 TIP3 11412 13.212 33.887 6.710 1.00 0.00 WAT +ATOM 40547 OH2 TIP3 11413 30.174 32.804 9.164 1.00 0.00 WAT +ATOM 40548 H1 TIP3 11413 29.372 33.009 8.653 1.00 0.00 WAT +ATOM 40549 H2 TIP3 11413 30.386 31.906 8.834 1.00 0.00 WAT +ATOM 40550 OH2 TIP3 11414 23.600 34.279 3.646 1.00 0.00 WAT +ATOM 40551 H1 TIP3 11414 22.896 33.611 3.753 1.00 0.00 WAT +ATOM 40552 H2 TIP3 11414 24.197 33.841 3.020 1.00 0.00 WAT +ATOM 40553 OH2 TIP3 11415 28.550 32.323 4.089 1.00 0.00 WAT +ATOM 40554 H1 TIP3 11415 29.315 32.765 3.682 1.00 0.00 WAT +ATOM 40555 H2 TIP3 11415 27.814 32.626 3.532 1.00 0.00 WAT +ATOM 40556 OH2 TIP3 11416 30.622 33.418 1.948 1.00 0.00 WAT +ATOM 40557 H1 TIP3 11416 31.341 33.002 1.438 1.00 0.00 WAT +ATOM 40558 H2 TIP3 11416 30.954 34.335 2.039 1.00 0.00 WAT +ATOM 40559 OH2 TIP3 11417 15.936 33.017 1.194 1.00 0.00 WAT +ATOM 40560 H1 TIP3 11417 15.078 32.898 0.741 1.00 0.00 WAT +ATOM 40561 H2 TIP3 11417 16.355 32.152 1.030 1.00 0.00 WAT +ATOM 40562 OH2 TIP3 11418 14.770 32.499 -2.937 1.00 0.00 WAT +ATOM 40563 H1 TIP3 11418 15.277 33.157 -3.451 1.00 0.00 WAT +ATOM 40564 H2 TIP3 11418 14.360 33.048 -2.250 1.00 0.00 WAT +ATOM 40565 OH2 TIP3 11419 20.427 32.717 1.022 1.00 0.00 WAT +ATOM 40566 H1 TIP3 11419 21.312 33.097 0.895 1.00 0.00 WAT +ATOM 40567 H2 TIP3 11419 20.376 32.679 1.983 1.00 0.00 WAT +ATOM 40568 OH2 TIP3 11420 26.014 32.883 2.460 1.00 0.00 WAT +ATOM 40569 H1 TIP3 11420 26.287 32.740 1.544 1.00 0.00 WAT +ATOM 40570 H2 TIP3 11420 25.641 32.016 2.699 1.00 0.00 WAT +ATOM 40571 OH2 TIP3 11421 27.118 32.879 -1.516 1.00 0.00 WAT +ATOM 40572 H1 TIP3 11421 26.302 33.385 -1.690 1.00 0.00 WAT +ATOM 40573 H2 TIP3 11421 26.772 31.973 -1.453 1.00 0.00 WAT +ATOM 40574 OH2 TIP3 11422 16.474 34.320 -4.503 1.00 0.00 WAT +ATOM 40575 H1 TIP3 11422 17.083 33.764 -5.019 1.00 0.00 WAT +ATOM 40576 H2 TIP3 11422 17.072 34.653 -3.806 1.00 0.00 WAT +ATOM 40577 OH2 TIP3 11423 21.560 34.501 -1.878 1.00 0.00 WAT +ATOM 40578 H1 TIP3 11423 21.937 33.944 -1.181 1.00 0.00 WAT +ATOM 40579 H2 TIP3 11423 21.770 35.380 -1.525 1.00 0.00 WAT +ATOM 40580 OH2 TIP3 11424 15.750 33.241 10.706 1.00 0.00 WAT +ATOM 40581 H1 TIP3 11424 15.350 32.428 11.062 1.00 0.00 WAT +ATOM 40582 H2 TIP3 11424 16.673 33.123 10.981 1.00 0.00 WAT +ATOM 40583 OH2 TIP3 11425 18.131 32.633 12.444 1.00 0.00 WAT +ATOM 40584 H1 TIP3 11425 18.951 32.278 12.044 1.00 0.00 WAT +ATOM 40585 H2 TIP3 11425 17.782 31.838 12.879 1.00 0.00 WAT +ATOM 40586 OH2 TIP3 11426 26.257 31.740 12.611 1.00 0.00 WAT +ATOM 40587 H1 TIP3 11426 26.291 31.326 13.495 1.00 0.00 WAT +ATOM 40588 H2 TIP3 11426 27.196 31.709 12.349 1.00 0.00 WAT +ATOM 40589 OH2 TIP3 11427 41.989 40.967 4.783 1.00 0.00 WAT +ATOM 40590 H1 TIP3 11427 42.803 41.320 5.182 1.00 0.00 WAT +ATOM 40591 H2 TIP3 11427 42.249 40.864 3.860 1.00 0.00 WAT +ATOM 40592 OH2 TIP3 11428 35.071 40.826 6.149 1.00 0.00 WAT +ATOM 40593 H1 TIP3 11428 35.068 40.074 6.767 1.00 0.00 WAT +ATOM 40594 H2 TIP3 11428 35.836 41.322 6.468 1.00 0.00 WAT +ATOM 40595 OH2 TIP3 11429 32.770 38.853 0.103 1.00 0.00 WAT +ATOM 40596 H1 TIP3 11429 32.335 39.723 0.121 1.00 0.00 WAT +ATOM 40597 H2 TIP3 11429 32.114 38.321 -0.363 1.00 0.00 WAT +ATOM 40598 OH2 TIP3 11430 33.738 41.358 1.951 1.00 0.00 WAT +ATOM 40599 H1 TIP3 11430 33.724 40.543 2.487 1.00 0.00 WAT +ATOM 40600 H2 TIP3 11430 34.515 41.184 1.404 1.00 0.00 WAT +ATOM 40601 OH2 TIP3 11431 37.456 36.066 2.676 1.00 0.00 WAT +ATOM 40602 H1 TIP3 11431 37.582 36.917 2.210 1.00 0.00 WAT +ATOM 40603 H2 TIP3 11431 37.114 35.529 1.931 1.00 0.00 WAT +ATOM 40604 OH2 TIP3 11432 34.098 38.771 3.180 1.00 0.00 WAT +ATOM 40605 H1 TIP3 11432 34.744 38.301 3.731 1.00 0.00 WAT +ATOM 40606 H2 TIP3 11432 34.196 38.300 2.331 1.00 0.00 WAT +ATOM 40607 OH2 TIP3 11433 39.530 40.153 2.679 1.00 0.00 WAT +ATOM 40608 H1 TIP3 11433 40.262 39.588 3.011 1.00 0.00 WAT +ATOM 40609 H2 TIP3 11433 39.011 39.500 2.176 1.00 0.00 WAT +ATOM 40610 OH2 TIP3 11434 36.237 34.839 6.834 1.00 0.00 WAT +ATOM 40611 H1 TIP3 11434 35.841 35.330 6.098 1.00 0.00 WAT +ATOM 40612 H2 TIP3 11434 35.573 34.991 7.534 1.00 0.00 WAT +ATOM 40613 OH2 TIP3 11435 38.942 42.631 6.671 1.00 0.00 WAT +ATOM 40614 H1 TIP3 11435 38.142 43.178 6.658 1.00 0.00 WAT +ATOM 40615 H2 TIP3 11435 39.619 43.312 6.551 1.00 0.00 WAT +ATOM 40616 OH2 TIP3 11436 35.840 36.885 4.765 1.00 0.00 WAT +ATOM 40617 H1 TIP3 11436 36.486 37.461 5.224 1.00 0.00 WAT +ATOM 40618 H2 TIP3 11436 36.410 36.526 4.048 1.00 0.00 WAT +ATOM 40619 OH2 TIP3 11437 40.433 32.310 3.979 1.00 0.00 WAT +ATOM 40620 H1 TIP3 11437 40.153 31.376 3.947 1.00 0.00 WAT +ATOM 40621 H2 TIP3 11437 39.626 32.737 4.336 1.00 0.00 WAT +ATOM 40622 OH2 TIP3 11438 42.629 41.230 -1.366 1.00 0.00 WAT +ATOM 40623 H1 TIP3 11438 41.936 41.846 -1.659 1.00 0.00 WAT +ATOM 40624 H2 TIP3 11438 43.292 41.376 -2.043 1.00 0.00 WAT +ATOM 40625 OH2 TIP3 11439 42.738 39.313 -3.995 1.00 0.00 WAT +ATOM 40626 H1 TIP3 11439 43.593 39.728 -3.843 1.00 0.00 WAT +ATOM 40627 H2 TIP3 11439 42.716 39.133 -4.944 1.00 0.00 WAT +ATOM 40628 OH2 TIP3 11440 37.553 42.026 1.611 1.00 0.00 WAT +ATOM 40629 H1 TIP3 11440 37.373 41.771 0.686 1.00 0.00 WAT +ATOM 40630 H2 TIP3 11440 38.367 41.528 1.800 1.00 0.00 WAT +ATOM 40631 OH2 TIP3 11441 38.104 40.689 5.013 1.00 0.00 WAT +ATOM 40632 H1 TIP3 11441 38.715 40.690 4.245 1.00 0.00 WAT +ATOM 40633 H2 TIP3 11441 38.474 41.407 5.567 1.00 0.00 WAT +ATOM 40634 OH2 TIP3 11442 35.993 41.453 8.885 1.00 0.00 WAT +ATOM 40635 H1 TIP3 11442 36.100 42.099 9.620 1.00 0.00 WAT +ATOM 40636 H2 TIP3 11442 35.022 41.392 8.846 1.00 0.00 WAT +ATOM 40637 OH2 TIP3 11443 36.431 40.922 -0.855 1.00 0.00 WAT +ATOM 40638 H1 TIP3 11443 36.349 41.658 -1.496 1.00 0.00 WAT +ATOM 40639 H2 TIP3 11443 35.957 40.215 -1.312 1.00 0.00 WAT +ATOM 40640 OH2 TIP3 11444 32.445 43.094 7.895 1.00 0.00 WAT +ATOM 40641 H1 TIP3 11444 32.442 42.921 6.940 1.00 0.00 WAT +ATOM 40642 H2 TIP3 11444 32.764 42.243 8.254 1.00 0.00 WAT +ATOM 40643 OH2 TIP3 11445 37.972 33.471 4.816 1.00 0.00 WAT +ATOM 40644 H1 TIP3 11445 37.155 33.404 4.291 1.00 0.00 WAT +ATOM 40645 H2 TIP3 11445 37.744 34.222 5.385 1.00 0.00 WAT +ATOM 40646 OH2 TIP3 11446 42.328 32.835 9.088 1.00 0.00 WAT +ATOM 40647 H1 TIP3 11446 42.443 32.107 9.715 1.00 0.00 WAT +ATOM 40648 H2 TIP3 11446 41.415 32.666 8.775 1.00 0.00 WAT +ATOM 40649 OH2 TIP3 11447 42.396 35.547 -4.182 1.00 0.00 WAT +ATOM 40650 H1 TIP3 11447 41.685 35.533 -3.528 1.00 0.00 WAT +ATOM 40651 H2 TIP3 11447 42.024 34.963 -4.860 1.00 0.00 WAT +ATOM 40652 OH2 TIP3 11448 37.811 38.251 6.273 1.00 0.00 WAT +ATOM 40653 H1 TIP3 11448 37.161 38.385 6.983 1.00 0.00 WAT +ATOM 40654 H2 TIP3 11448 37.893 39.150 5.880 1.00 0.00 WAT +ATOM 40655 OH2 TIP3 11449 37.757 38.323 1.075 1.00 0.00 WAT +ATOM 40656 H1 TIP3 11449 36.797 38.260 0.928 1.00 0.00 WAT +ATOM 40657 H2 TIP3 11449 38.079 38.224 0.158 1.00 0.00 WAT +ATOM 40658 OH2 TIP3 11450 42.825 38.701 0.302 1.00 0.00 WAT +ATOM 40659 H1 TIP3 11450 42.601 39.619 0.064 1.00 0.00 WAT +ATOM 40660 H2 TIP3 11450 43.153 38.346 -0.525 1.00 0.00 WAT +ATOM 40661 OH2 TIP3 11451 42.558 39.230 11.766 1.00 0.00 WAT +ATOM 40662 H1 TIP3 11451 41.962 38.455 11.695 1.00 0.00 WAT +ATOM 40663 H2 TIP3 11451 43.404 38.791 11.546 1.00 0.00 WAT +ATOM 40664 OH2 TIP3 11452 35.220 38.410 8.027 1.00 0.00 WAT +ATOM 40665 H1 TIP3 11452 35.382 38.794 8.896 1.00 0.00 WAT +ATOM 40666 H2 TIP3 11452 34.839 37.545 8.260 1.00 0.00 WAT +ATOM 40667 OH2 TIP3 11453 38.686 35.730 -5.396 1.00 0.00 WAT +ATOM 40668 H1 TIP3 11453 38.163 35.550 -4.595 1.00 0.00 WAT +ATOM 40669 H2 TIP3 11453 38.124 36.383 -5.846 1.00 0.00 WAT +ATOM 40670 OH2 TIP3 11454 31.977 35.884 1.727 1.00 0.00 WAT +ATOM 40671 H1 TIP3 11454 32.612 35.880 2.466 1.00 0.00 WAT +ATOM 40672 H2 TIP3 11454 32.493 35.537 0.983 1.00 0.00 WAT +ATOM 40673 OH2 TIP3 11455 33.626 36.348 -2.504 1.00 0.00 WAT +ATOM 40674 H1 TIP3 11455 34.110 36.766 -3.251 1.00 0.00 WAT +ATOM 40675 H2 TIP3 11455 32.898 36.985 -2.411 1.00 0.00 WAT +ATOM 40676 OH2 TIP3 11456 43.508 39.690 7.493 1.00 0.00 WAT +ATOM 40677 H1 TIP3 11456 43.798 39.035 6.824 1.00 0.00 WAT +ATOM 40678 H2 TIP3 11456 42.704 39.254 7.814 1.00 0.00 WAT +ATOM 40679 OH2 TIP3 11457 40.489 35.758 2.187 1.00 0.00 WAT +ATOM 40680 H1 TIP3 11457 39.542 35.846 2.387 1.00 0.00 WAT +ATOM 40681 H2 TIP3 11457 40.875 35.887 3.067 1.00 0.00 WAT +ATOM 40682 OH2 TIP3 11458 35.054 37.152 0.843 1.00 0.00 WAT +ATOM 40683 H1 TIP3 11458 34.279 37.440 0.329 1.00 0.00 WAT +ATOM 40684 H2 TIP3 11458 35.380 36.384 0.338 1.00 0.00 WAT +ATOM 40685 OH2 TIP3 11459 38.609 37.616 -1.683 1.00 0.00 WAT +ATOM 40686 H1 TIP3 11459 39.569 37.716 -1.621 1.00 0.00 WAT +ATOM 40687 H2 TIP3 11459 38.383 38.169 -2.461 1.00 0.00 WAT +ATOM 40688 OH2 TIP3 11460 36.102 43.165 10.935 1.00 0.00 WAT +ATOM 40689 H1 TIP3 11460 36.663 43.652 11.570 1.00 0.00 WAT +ATOM 40690 H2 TIP3 11460 35.291 43.044 11.476 1.00 0.00 WAT +ATOM 40691 OH2 TIP3 11461 41.442 38.239 3.561 1.00 0.00 WAT +ATOM 40692 H1 TIP3 11461 42.172 37.820 3.086 1.00 0.00 WAT +ATOM 40693 H2 TIP3 11461 41.649 38.029 4.487 1.00 0.00 WAT +ATOM 40694 OH2 TIP3 11462 36.855 34.891 0.203 1.00 0.00 WAT +ATOM 40695 H1 TIP3 11462 36.270 34.119 0.275 1.00 0.00 WAT +ATOM 40696 H2 TIP3 11462 37.572 34.555 -0.349 1.00 0.00 WAT +ATOM 40697 OH2 TIP3 11463 40.503 36.847 6.228 1.00 0.00 WAT +ATOM 40698 H1 TIP3 11463 39.786 37.493 6.107 1.00 0.00 WAT +ATOM 40699 H2 TIP3 11463 41.022 37.254 6.943 1.00 0.00 WAT +ATOM 40700 OH2 TIP3 11464 40.755 43.489 -1.694 1.00 0.00 WAT +ATOM 40701 H1 TIP3 11464 40.100 42.993 -2.228 1.00 0.00 WAT +ATOM 40702 H2 TIP3 11464 40.530 43.233 -0.792 1.00 0.00 WAT +ATOM 40703 OH2 TIP3 11465 36.089 42.513 3.826 1.00 0.00 WAT +ATOM 40704 H1 TIP3 11465 36.662 42.406 3.033 1.00 0.00 WAT +ATOM 40705 H2 TIP3 11465 36.174 41.636 4.228 1.00 0.00 WAT +ATOM 40706 OH2 TIP3 11466 33.118 40.791 9.154 1.00 0.00 WAT +ATOM 40707 H1 TIP3 11466 33.194 40.419 10.053 1.00 0.00 WAT +ATOM 40708 H2 TIP3 11466 32.366 40.306 8.775 1.00 0.00 WAT +ATOM 40709 OH2 TIP3 11467 40.009 40.473 11.243 1.00 0.00 WAT +ATOM 40710 H1 TIP3 11467 39.662 40.230 10.367 1.00 0.00 WAT +ATOM 40711 H2 TIP3 11467 40.965 40.345 11.120 1.00 0.00 WAT +ATOM 40712 OH2 TIP3 11468 33.964 41.062 -4.389 1.00 0.00 WAT +ATOM 40713 H1 TIP3 11468 34.717 41.374 -3.864 1.00 0.00 WAT +ATOM 40714 H2 TIP3 11468 33.216 41.185 -3.778 1.00 0.00 WAT +ATOM 40715 OH2 TIP3 11469 34.346 35.658 8.840 1.00 0.00 WAT +ATOM 40716 H1 TIP3 11469 33.444 35.902 8.551 1.00 0.00 WAT +ATOM 40717 H2 TIP3 11469 34.199 34.770 9.211 1.00 0.00 WAT +ATOM 40718 OH2 TIP3 11470 35.888 -43.829 -2.419 1.00 0.00 WAT +ATOM 40719 H1 TIP3 11470 34.958 -43.550 -2.311 1.00 0.00 WAT +ATOM 40720 H2 TIP3 11470 36.295 -43.004 -2.713 1.00 0.00 WAT +ATOM 40721 OH2 TIP3 11471 43.339 35.916 7.932 1.00 0.00 WAT +ATOM 40722 H1 TIP3 11471 43.839 35.138 8.185 1.00 0.00 WAT +ATOM 40723 H2 TIP3 11471 42.748 35.553 7.255 1.00 0.00 WAT +ATOM 40724 OH2 TIP3 11472 41.191 36.674 -0.435 1.00 0.00 WAT +ATOM 40725 H1 TIP3 11472 41.787 37.403 -0.174 1.00 0.00 WAT +ATOM 40726 H2 TIP3 11472 40.818 36.482 0.445 1.00 0.00 WAT +ATOM 40727 OH2 TIP3 11473 41.668 37.877 8.740 1.00 0.00 WAT +ATOM 40728 H1 TIP3 11473 41.875 38.326 9.565 1.00 0.00 WAT +ATOM 40729 H2 TIP3 11473 42.331 37.156 8.713 1.00 0.00 WAT +ATOM 40730 OH2 TIP3 11474 41.959 33.880 0.782 1.00 0.00 WAT +ATOM 40731 H1 TIP3 11474 41.659 34.688 1.259 1.00 0.00 WAT +ATOM 40732 H2 TIP3 11474 42.698 34.228 0.251 1.00 0.00 WAT +ATOM 40733 OH2 TIP3 11475 37.632 34.935 -2.912 1.00 0.00 WAT +ATOM 40734 H1 TIP3 11475 37.693 35.786 -2.442 1.00 0.00 WAT +ATOM 40735 H2 TIP3 11475 38.498 34.532 -2.740 1.00 0.00 WAT +ATOM 40736 OH2 TIP3 11476 33.888 37.845 -4.776 1.00 0.00 WAT +ATOM 40737 H1 TIP3 11476 34.525 38.581 -4.751 1.00 0.00 WAT +ATOM 40738 H2 TIP3 11476 33.077 38.266 -5.071 1.00 0.00 WAT +ATOM 40739 OH2 TIP3 11477 35.163 33.043 4.007 1.00 0.00 WAT +ATOM 40740 H1 TIP3 11477 34.988 33.027 3.043 1.00 0.00 WAT +ATOM 40741 H2 TIP3 11477 34.820 32.178 4.298 1.00 0.00 WAT +ATOM 40742 OH2 TIP3 11478 33.660 43.061 12.064 1.00 0.00 WAT +ATOM 40743 H1 TIP3 11478 33.436 42.113 12.078 1.00 0.00 WAT +ATOM 40744 H2 TIP3 11478 32.846 43.500 11.800 1.00 0.00 WAT +ATOM 40745 OH2 TIP3 11479 39.572 43.319 11.621 1.00 0.00 WAT +ATOM 40746 H1 TIP3 11479 39.551 43.468 10.654 1.00 0.00 WAT +ATOM 40747 H2 TIP3 11479 39.956 42.423 11.674 1.00 0.00 WAT +ATOM 40748 OH2 TIP3 11480 34.228 40.239 11.784 1.00 0.00 WAT +ATOM 40749 H1 TIP3 11480 35.004 39.658 11.715 1.00 0.00 WAT +ATOM 40750 H2 TIP3 11480 34.235 40.447 12.735 1.00 0.00 WAT +ATOM 40751 OH2 TIP3 11481 39.027 41.625 -2.993 1.00 0.00 WAT +ATOM 40752 H1 TIP3 11481 38.268 41.233 -2.544 1.00 0.00 WAT +ATOM 40753 H2 TIP3 11481 38.970 41.104 -3.813 1.00 0.00 WAT +ATOM 40754 OH2 TIP3 11482 38.000 39.372 9.230 1.00 0.00 WAT +ATOM 40755 H1 TIP3 11482 37.388 40.124 9.343 1.00 0.00 WAT +ATOM 40756 H2 TIP3 11482 38.535 39.668 8.477 1.00 0.00 WAT +ATOM 40757 OH2 TIP3 11483 42.795 41.963 12.806 1.00 0.00 WAT +ATOM 40758 H1 TIP3 11483 43.459 41.751 12.149 1.00 0.00 WAT +ATOM 40759 H2 TIP3 11483 42.508 41.075 13.055 1.00 0.00 WAT +ATOM 40760 OH2 TIP3 11484 38.575 36.641 10.319 1.00 0.00 WAT +ATOM 40761 H1 TIP3 11484 38.616 35.992 9.594 1.00 0.00 WAT +ATOM 40762 H2 TIP3 11484 38.386 37.462 9.831 1.00 0.00 WAT +ATOM 40763 OH2 TIP3 11485 38.870 35.097 7.728 1.00 0.00 WAT +ATOM 40764 H1 TIP3 11485 39.359 35.672 7.104 1.00 0.00 WAT +ATOM 40765 H2 TIP3 11485 37.953 35.133 7.385 1.00 0.00 WAT +ATOM 40766 OH2 TIP3 11486 40.595 40.638 7.989 1.00 0.00 WAT +ATOM 40767 H1 TIP3 11486 41.307 40.592 7.334 1.00 0.00 WAT +ATOM 40768 H2 TIP3 11486 40.136 41.443 7.708 1.00 0.00 WAT +ATOM 40769 OH2 TIP3 11487 36.692 38.489 12.114 1.00 0.00 WAT +ATOM 40770 H1 TIP3 11487 36.184 37.657 12.070 1.00 0.00 WAT +ATOM 40771 H2 TIP3 11487 37.502 38.248 11.637 1.00 0.00 WAT +ATOM 40772 OH2 TIP3 11488 39.706 32.476 8.107 1.00 0.00 WAT +ATOM 40773 H1 TIP3 11488 39.474 33.412 7.921 1.00 0.00 WAT +ATOM 40774 H2 TIP3 11488 39.056 32.010 7.549 1.00 0.00 WAT +ATOM 40775 OH2 TIP3 11489 41.043 36.918 11.826 1.00 0.00 WAT +ATOM 40776 H1 TIP3 11489 40.651 36.716 12.690 1.00 0.00 WAT +ATOM 40777 H2 TIP3 11489 40.288 36.708 11.242 1.00 0.00 WAT +ATOM 40778 OH2 TIP3 11490 35.404 35.942 11.925 1.00 0.00 WAT +ATOM 40779 H1 TIP3 11490 35.310 35.249 11.252 1.00 0.00 WAT +ATOM 40780 H2 TIP3 11490 35.165 35.458 12.738 1.00 0.00 WAT +ATOM 40781 OH2 TIP3 11491 39.448 31.935 10.925 1.00 0.00 WAT +ATOM 40782 H1 TIP3 11491 40.050 31.179 10.958 1.00 0.00 WAT +ATOM 40783 H2 TIP3 11491 39.407 32.097 9.962 1.00 0.00 WAT +ATOM 40784 OH2 TIP3 11492 40.346 33.730 12.877 1.00 0.00 WAT +ATOM 40785 H1 TIP3 11492 40.079 33.190 12.105 1.00 0.00 WAT +ATOM 40786 H2 TIP3 11492 39.732 34.480 12.824 1.00 0.00 WAT +ATOM 40787 OH2 TIP3 11493 32.716 41.885 5.113 1.00 0.00 WAT +ATOM 40788 H1 TIP3 11493 32.809 42.025 4.158 1.00 0.00 WAT +ATOM 40789 H2 TIP3 11493 33.621 41.602 5.365 1.00 0.00 WAT +ATOM 40790 OH2 TIP3 11494 32.709 37.164 11.358 1.00 0.00 WAT +ATOM 40791 H1 TIP3 11494 33.642 36.891 11.327 1.00 0.00 WAT +ATOM 40792 H2 TIP3 11494 32.257 36.302 11.387 1.00 0.00 WAT +ATOM 40793 OH2 TIP3 11495 33.483 35.469 4.138 1.00 0.00 WAT +ATOM 40794 H1 TIP3 11495 33.950 34.616 4.186 1.00 0.00 WAT +ATOM 40795 H2 TIP3 11495 34.177 36.074 4.460 1.00 0.00 WAT +ATOM 40796 OH2 TIP3 11496 32.030 38.147 5.192 1.00 0.00 WAT +ATOM 40797 H1 TIP3 11496 32.611 38.106 4.415 1.00 0.00 WAT +ATOM 40798 H2 TIP3 11496 32.360 38.943 5.628 1.00 0.00 WAT +ATOM 40799 OH2 TIP3 11497 32.525 34.485 -0.775 1.00 0.00 WAT +ATOM 40800 H1 TIP3 11497 31.582 34.539 -1.003 1.00 0.00 WAT +ATOM 40801 H2 TIP3 11497 32.944 35.090 -1.421 1.00 0.00 WAT +ATOM 40802 OH2 TIP3 11498 32.571 33.380 7.382 1.00 0.00 WAT +ATOM 40803 H1 TIP3 11498 31.851 33.100 7.964 1.00 0.00 WAT +ATOM 40804 H2 TIP3 11498 32.081 33.892 6.711 1.00 0.00 WAT +ATOM 40805 OH2 TIP3 11499 42.679 33.929 3.674 1.00 0.00 WAT +ATOM 40806 H1 TIP3 11499 41.823 33.478 3.781 1.00 0.00 WAT +ATOM 40807 H2 TIP3 11499 42.934 33.632 2.795 1.00 0.00 WAT +ATOM 40808 OH2 TIP3 11500 34.793 32.999 1.208 1.00 0.00 WAT +ATOM 40809 H1 TIP3 11500 33.942 32.891 0.739 1.00 0.00 WAT +ATOM 40810 H2 TIP3 11500 35.219 32.140 1.028 1.00 0.00 WAT +ATOM 40811 OH2 TIP3 11501 33.650 32.489 -2.930 1.00 0.00 WAT +ATOM 40812 H1 TIP3 11501 34.152 33.137 -3.467 1.00 0.00 WAT +ATOM 40813 H2 TIP3 11501 33.222 33.064 -2.277 1.00 0.00 WAT +ATOM 40814 OH2 TIP3 11502 39.350 32.811 1.069 1.00 0.00 WAT +ATOM 40815 H1 TIP3 11502 40.269 33.128 0.998 1.00 0.00 WAT +ATOM 40816 H2 TIP3 11502 39.265 32.731 2.026 1.00 0.00 WAT +ATOM 40817 OH2 TIP3 11503 35.282 34.275 -4.481 1.00 0.00 WAT +ATOM 40818 H1 TIP3 11503 35.910 33.850 -5.087 1.00 0.00 WAT +ATOM 40819 H2 TIP3 11503 35.888 34.687 -3.837 1.00 0.00 WAT +ATOM 40820 OH2 TIP3 11504 40.671 34.465 -1.944 1.00 0.00 WAT +ATOM 40821 H1 TIP3 11504 40.615 33.877 -1.179 1.00 0.00 WAT +ATOM 40822 H2 TIP3 11504 40.627 35.343 -1.514 1.00 0.00 WAT +ATOM 40823 OH2 TIP3 11505 34.595 33.245 10.721 1.00 0.00 WAT +ATOM 40824 H1 TIP3 11505 34.204 32.421 11.062 1.00 0.00 WAT +ATOM 40825 H2 TIP3 11505 35.526 33.120 10.963 1.00 0.00 WAT +ATOM 40826 OH2 TIP3 11506 36.999 32.636 12.462 1.00 0.00 WAT +ATOM 40827 H1 TIP3 11506 37.821 32.290 12.061 1.00 0.00 WAT +ATOM 40828 H2 TIP3 11506 36.636 31.831 12.864 1.00 0.00 WAT +ATOM 40829 OH2 TIP3 11507 -31.604 -33.665 20.304 1.00 0.00 WAT +ATOM 40830 H1 TIP3 11507 -31.609 -32.698 20.393 1.00 0.00 WAT +ATOM 40831 H2 TIP3 11507 -32.365 -33.804 19.723 1.00 0.00 WAT +ATOM 40832 OH2 TIP3 11508 -32.755 -34.217 23.372 1.00 0.00 WAT +ATOM 40833 H1 TIP3 11508 -32.764 -34.795 24.152 1.00 0.00 WAT +ATOM 40834 H2 TIP3 11508 -33.016 -34.833 22.672 1.00 0.00 WAT +ATOM 40835 OH2 TIP3 11509 -40.288 -34.639 25.009 1.00 0.00 WAT +ATOM 40836 H1 TIP3 11509 -40.323 -35.375 25.648 1.00 0.00 WAT +ATOM 40837 H2 TIP3 11509 -39.587 -34.092 25.388 1.00 0.00 WAT +ATOM 40838 OH2 TIP3 11510 -29.071 -31.487 21.689 1.00 0.00 WAT +ATOM 40839 H1 TIP3 11510 -29.444 -32.200 22.222 1.00 0.00 WAT +ATOM 40840 H2 TIP3 11510 -28.778 -30.870 22.373 1.00 0.00 WAT +ATOM 40841 OH2 TIP3 11511 -39.593 -30.020 23.535 1.00 0.00 WAT +ATOM 40842 H1 TIP3 11511 -39.873 -30.915 23.258 1.00 0.00 WAT +ATOM 40843 H2 TIP3 11511 -38.650 -30.173 23.697 1.00 0.00 WAT +ATOM 40844 OH2 TIP3 11512 -41.695 -35.612 18.365 1.00 0.00 WAT +ATOM 40845 H1 TIP3 11512 -42.176 -34.957 18.900 1.00 0.00 WAT +ATOM 40846 H2 TIP3 11512 -42.205 -36.398 18.602 1.00 0.00 WAT +ATOM 40847 OH2 TIP3 11513 -42.111 -34.126 20.789 1.00 0.00 WAT +ATOM 40848 H1 TIP3 11513 -41.870 -34.888 21.344 1.00 0.00 WAT +ATOM 40849 H2 TIP3 11513 -41.263 -33.856 20.420 1.00 0.00 WAT +ATOM 40850 OH2 TIP3 11514 -32.004 -26.126 22.259 1.00 0.00 WAT +ATOM 40851 H1 TIP3 11514 -31.418 -26.830 21.921 1.00 0.00 WAT +ATOM 40852 H2 TIP3 11514 -32.277 -26.490 23.110 1.00 0.00 WAT +ATOM 40853 OH2 TIP3 11515 -34.264 -31.715 23.941 1.00 0.00 WAT +ATOM 40854 H1 TIP3 11515 -33.944 -32.429 23.360 1.00 0.00 WAT +ATOM 40855 H2 TIP3 11515 -33.444 -31.563 24.450 1.00 0.00 WAT +ATOM 40856 OH2 TIP3 11516 -25.714 -40.165 24.498 1.00 0.00 WAT +ATOM 40857 H1 TIP3 11516 -25.367 -39.725 25.291 1.00 0.00 WAT +ATOM 40858 H2 TIP3 11516 -25.055 -39.881 23.838 1.00 0.00 WAT +ATOM 40859 OH2 TIP3 11517 -30.986 -37.402 24.453 1.00 0.00 WAT +ATOM 40860 H1 TIP3 11517 -30.779 -38.352 24.465 1.00 0.00 WAT +ATOM 40861 H2 TIP3 11517 -31.061 -37.239 23.499 1.00 0.00 WAT +ATOM 40862 OH2 TIP3 11518 -38.020 -39.405 21.555 1.00 0.00 WAT +ATOM 40863 H1 TIP3 11518 -37.837 -38.561 21.096 1.00 0.00 WAT +ATOM 40864 H2 TIP3 11518 -38.325 -39.948 20.804 1.00 0.00 WAT +ATOM 40865 OH2 TIP3 11519 -30.109 -39.204 19.888 1.00 0.00 WAT +ATOM 40866 H1 TIP3 11519 -29.497 -39.646 20.512 1.00 0.00 WAT +ATOM 40867 H2 TIP3 11519 -29.482 -38.775 19.288 1.00 0.00 WAT +ATOM 40868 OH2 TIP3 11520 -41.387 -36.603 22.044 1.00 0.00 WAT +ATOM 40869 H1 TIP3 11520 -40.808 -37.044 22.688 1.00 0.00 WAT +ATOM 40870 H2 TIP3 11520 -41.222 -37.143 21.252 1.00 0.00 WAT +ATOM 40871 OH2 TIP3 11521 -35.932 -35.257 21.494 1.00 0.00 WAT +ATOM 40872 H1 TIP3 11521 -35.215 -35.803 21.873 1.00 0.00 WAT +ATOM 40873 H2 TIP3 11521 -36.429 -35.926 20.988 1.00 0.00 WAT +ATOM 40874 OH2 TIP3 11522 -24.765 -38.476 27.148 1.00 0.00 WAT +ATOM 40875 H1 TIP3 11522 -25.529 -37.973 26.820 1.00 0.00 WAT +ATOM 40876 H2 TIP3 11522 -25.134 -38.893 27.934 1.00 0.00 WAT +ATOM 40877 OH2 TIP3 11523 -39.165 -40.507 25.745 1.00 0.00 WAT +ATOM 40878 H1 TIP3 11523 -39.574 -40.087 24.974 1.00 0.00 WAT +ATOM 40879 H2 TIP3 11523 -39.865 -40.365 26.412 1.00 0.00 WAT +ATOM 40880 OH2 TIP3 11524 -31.709 -30.823 19.089 1.00 0.00 WAT +ATOM 40881 H1 TIP3 11524 -31.997 -31.044 18.199 1.00 0.00 WAT +ATOM 40882 H2 TIP3 11524 -32.162 -29.977 19.255 1.00 0.00 WAT +ATOM 40883 OH2 TIP3 11525 -36.245 -32.695 25.813 1.00 0.00 WAT +ATOM 40884 H1 TIP3 11525 -36.978 -32.093 26.059 1.00 0.00 WAT +ATOM 40885 H2 TIP3 11525 -35.628 -32.096 25.353 1.00 0.00 WAT +ATOM 40886 OH2 TIP3 11526 -28.236 -40.134 21.904 1.00 0.00 WAT +ATOM 40887 H1 TIP3 11526 -28.714 -40.604 22.598 1.00 0.00 WAT +ATOM 40888 H2 TIP3 11526 -27.712 -39.502 22.424 1.00 0.00 WAT +ATOM 40889 OH2 TIP3 11527 -39.587 -38.501 23.616 1.00 0.00 WAT +ATOM 40890 H1 TIP3 11527 -38.933 -37.924 24.061 1.00 0.00 WAT +ATOM 40891 H2 TIP3 11527 -39.026 -38.878 22.901 1.00 0.00 WAT +ATOM 40892 OH2 TIP3 11528 -38.268 -30.830 26.553 1.00 0.00 WAT +ATOM 40893 H1 TIP3 11528 -38.301 -29.922 26.202 1.00 0.00 WAT +ATOM 40894 H2 TIP3 11528 -39.161 -30.892 26.941 1.00 0.00 WAT +ATOM 40895 OH2 TIP3 11529 -41.829 -31.191 17.442 1.00 0.00 WAT +ATOM 40896 H1 TIP3 11529 -42.634 -31.010 16.917 1.00 0.00 WAT +ATOM 40897 H2 TIP3 11529 -41.927 -30.585 18.194 1.00 0.00 WAT +ATOM 40898 OH2 TIP3 11530 -28.512 -29.671 24.198 1.00 0.00 WAT +ATOM 40899 H1 TIP3 11530 -29.480 -29.554 24.197 1.00 0.00 WAT +ATOM 40900 H2 TIP3 11530 -28.228 -28.823 23.812 1.00 0.00 WAT +ATOM 40901 OH2 TIP3 11531 -28.082 -41.101 25.910 1.00 0.00 WAT +ATOM 40902 H1 TIP3 11531 -28.885 -40.778 25.469 1.00 0.00 WAT +ATOM 40903 H2 TIP3 11531 -27.414 -40.966 25.211 1.00 0.00 WAT +ATOM 40904 OH2 TIP3 11532 -34.964 43.819 22.980 1.00 0.00 WAT +ATOM 40905 H1 TIP3 11532 -35.013 42.858 23.026 1.00 0.00 WAT +ATOM 40906 H2 TIP3 11532 -35.860 44.118 23.229 1.00 0.00 WAT +ATOM 40907 OH2 TIP3 11533 -30.196 -27.741 20.775 1.00 0.00 WAT +ATOM 40908 H1 TIP3 11533 -29.720 -28.532 20.447 1.00 0.00 WAT +ATOM 40909 H2 TIP3 11533 -29.529 -27.045 20.627 1.00 0.00 WAT +ATOM 40910 OH2 TIP3 11534 -28.768 -29.868 19.385 1.00 0.00 WAT +ATOM 40911 H1 TIP3 11534 -29.250 -30.330 18.684 1.00 0.00 WAT +ATOM 40912 H2 TIP3 11534 -28.822 -30.520 20.111 1.00 0.00 WAT +ATOM 40913 OH2 TIP3 11535 -27.225 -31.044 27.854 1.00 0.00 WAT +ATOM 40914 H1 TIP3 11535 -27.320 -31.697 27.136 1.00 0.00 WAT +ATOM 40915 H2 TIP3 11535 -27.083 -30.217 27.356 1.00 0.00 WAT +ATOM 40916 OH2 TIP3 11536 -32.958 -34.142 17.562 1.00 0.00 WAT +ATOM 40917 H1 TIP3 11536 -33.616 -33.541 17.166 1.00 0.00 WAT +ATOM 40918 H2 TIP3 11536 -32.236 -34.104 16.913 1.00 0.00 WAT +ATOM 40919 OH2 TIP3 11537 -32.670 -35.958 14.616 1.00 0.00 WAT +ATOM 40920 H1 TIP3 11537 -31.973 -35.647 15.222 1.00 0.00 WAT +ATOM 40921 H2 TIP3 11537 -32.153 -36.530 14.030 1.00 0.00 WAT +ATOM 40922 OH2 TIP3 11538 -25.462 -34.878 25.801 1.00 0.00 WAT +ATOM 40923 H1 TIP3 11538 -26.183 -34.224 25.878 1.00 0.00 WAT +ATOM 40924 H2 TIP3 11538 -24.983 -34.540 25.020 1.00 0.00 WAT +ATOM 40925 OH2 TIP3 11539 -29.438 -34.144 18.636 1.00 0.00 WAT +ATOM 40926 H1 TIP3 11539 -30.121 -33.931 19.311 1.00 0.00 WAT +ATOM 40927 H2 TIP3 11539 -28.835 -34.706 19.155 1.00 0.00 WAT +ATOM 40928 OH2 TIP3 11540 -29.601 -35.621 27.469 1.00 0.00 WAT +ATOM 40929 H1 TIP3 11540 -29.539 -34.805 27.992 1.00 0.00 WAT +ATOM 40930 H2 TIP3 11540 -30.248 -35.323 26.804 1.00 0.00 WAT +ATOM 40931 OH2 TIP3 11541 -37.829 -33.365 20.402 1.00 0.00 WAT +ATOM 40932 H1 TIP3 11541 -38.152 -33.802 19.590 1.00 0.00 WAT +ATOM 40933 H2 TIP3 11541 -37.183 -34.014 20.734 1.00 0.00 WAT +ATOM 40934 OH2 TIP3 11542 -36.480 -29.980 23.159 1.00 0.00 WAT +ATOM 40935 H1 TIP3 11542 -36.589 -30.341 22.268 1.00 0.00 WAT +ATOM 40936 H2 TIP3 11542 -35.675 -30.444 23.463 1.00 0.00 WAT +ATOM 40937 OH2 TIP3 11543 -37.273 -34.552 23.897 1.00 0.00 WAT +ATOM 40938 H1 TIP3 11543 -36.700 -34.536 23.105 1.00 0.00 WAT +ATOM 40939 H2 TIP3 11543 -36.855 -33.891 24.478 1.00 0.00 WAT +ATOM 40940 OH2 TIP3 11544 -31.340 -29.038 24.480 1.00 0.00 WAT +ATOM 40941 H1 TIP3 11544 -31.285 -28.384 25.196 1.00 0.00 WAT +ATOM 40942 H2 TIP3 11544 -31.539 -29.870 24.945 1.00 0.00 WAT +ATOM 40943 OH2 TIP3 11545 -36.422 -30.235 28.736 1.00 0.00 WAT +ATOM 40944 H1 TIP3 11545 -36.960 -29.567 29.198 1.00 0.00 WAT +ATOM 40945 H2 TIP3 11545 -37.044 -30.522 28.039 1.00 0.00 WAT +ATOM 40946 OH2 TIP3 11546 -30.488 -34.704 16.095 1.00 0.00 WAT +ATOM 40947 H1 TIP3 11546 -30.010 -34.431 16.906 1.00 0.00 WAT +ATOM 40948 H2 TIP3 11546 -29.988 -34.199 15.407 1.00 0.00 WAT +ATOM 40949 OH2 TIP3 11547 -39.556 -33.898 27.894 1.00 0.00 WAT +ATOM 40950 H1 TIP3 11547 -39.480 -33.301 28.658 1.00 0.00 WAT +ATOM 40951 H2 TIP3 11547 -40.523 -33.936 27.776 1.00 0.00 WAT +ATOM 40952 OH2 TIP3 11548 -33.033 -28.098 19.658 1.00 0.00 WAT +ATOM 40953 H1 TIP3 11548 -32.557 -27.800 20.442 1.00 0.00 WAT +ATOM 40954 H2 TIP3 11548 -33.523 -27.309 19.383 1.00 0.00 WAT +ATOM 40955 OH2 TIP3 11549 -38.354 -28.070 29.596 1.00 0.00 WAT +ATOM 40956 H1 TIP3 11549 -38.411 -28.014 28.625 1.00 0.00 WAT +ATOM 40957 H2 TIP3 11549 -39.273 -28.268 29.852 1.00 0.00 WAT +ATOM 40958 OH2 TIP3 11550 -27.301 -43.033 15.337 1.00 0.00 WAT +ATOM 40959 H1 TIP3 11550 -27.654 -43.235 16.211 1.00 0.00 WAT +ATOM 40960 H2 TIP3 11550 -26.469 -42.608 15.579 1.00 0.00 WAT +ATOM 40961 OH2 TIP3 11551 -38.912 -34.651 17.922 1.00 0.00 WAT +ATOM 40962 H1 TIP3 11551 -39.170 -33.889 17.380 1.00 0.00 WAT +ATOM 40963 H2 TIP3 11551 -39.706 -35.213 17.852 1.00 0.00 WAT +ATOM 40964 OH2 TIP3 11552 -25.681 -28.826 14.153 1.00 0.00 WAT +ATOM 40965 H1 TIP3 11552 -25.515 -27.884 14.356 1.00 0.00 WAT +ATOM 40966 H2 TIP3 11552 -24.808 -29.224 14.333 1.00 0.00 WAT +ATOM 40967 OH2 TIP3 11553 -42.669 -31.805 26.467 1.00 0.00 WAT +ATOM 40968 H1 TIP3 11553 -42.864 -32.144 25.576 1.00 0.00 WAT +ATOM 40969 H2 TIP3 11553 -43.063 -32.500 27.022 1.00 0.00 WAT +ATOM 40970 OH2 TIP3 11554 -42.814 -29.004 23.435 1.00 0.00 WAT +ATOM 40971 H1 TIP3 11554 -41.974 -29.442 23.622 1.00 0.00 WAT +ATOM 40972 H2 TIP3 11554 -42.989 -28.528 24.254 1.00 0.00 WAT +ATOM 40973 OH2 TIP3 11555 -24.440 -28.415 29.377 1.00 0.00 WAT +ATOM 40974 H1 TIP3 11555 -24.537 -29.366 29.195 1.00 0.00 WAT +ATOM 40975 H2 TIP3 11555 -25.347 -28.193 29.683 1.00 0.00 WAT +ATOM 40976 OH2 TIP3 11556 -33.780 -29.188 28.180 1.00 0.00 WAT +ATOM 40977 H1 TIP3 11556 -33.718 -28.376 28.716 1.00 0.00 WAT +ATOM 40978 H2 TIP3 11556 -34.686 -29.494 28.383 1.00 0.00 WAT +ATOM 40979 OH2 TIP3 11557 -33.520 -25.374 18.144 1.00 0.00 WAT +ATOM 40980 H1 TIP3 11557 -33.477 -25.297 17.175 1.00 0.00 WAT +ATOM 40981 H2 TIP3 11557 -33.420 -24.456 18.441 1.00 0.00 WAT +ATOM 40982 OH2 TIP3 11558 -39.782 -26.237 19.783 1.00 0.00 WAT +ATOM 40983 H1 TIP3 11558 -39.535 -26.658 20.630 1.00 0.00 WAT +ATOM 40984 H2 TIP3 11558 -40.552 -26.784 19.550 1.00 0.00 WAT +ATOM 40985 OH2 TIP3 11559 -30.187 -25.955 15.335 1.00 0.00 WAT +ATOM 40986 H1 TIP3 11559 -29.606 -26.597 14.880 1.00 0.00 WAT +ATOM 40987 H2 TIP3 11559 -30.235 -26.346 16.231 1.00 0.00 WAT +ATOM 40988 OH2 TIP3 11560 -30.801 -26.531 18.138 1.00 0.00 WAT +ATOM 40989 H1 TIP3 11560 -31.757 -26.415 18.273 1.00 0.00 WAT +ATOM 40990 H2 TIP3 11560 -30.630 -27.262 18.757 1.00 0.00 WAT +ATOM 40991 OH2 TIP3 11561 -27.638 -37.085 29.768 1.00 0.00 WAT +ATOM 40992 H1 TIP3 11561 -28.133 -36.690 29.037 1.00 0.00 WAT +ATOM 40993 H2 TIP3 11561 -27.560 -38.012 29.476 1.00 0.00 WAT +ATOM 40994 OH2 TIP3 11562 -40.720 -30.405 27.957 1.00 0.00 WAT +ATOM 40995 H1 TIP3 11562 -40.422 -30.993 28.673 1.00 0.00 WAT +ATOM 40996 H2 TIP3 11562 -41.469 -30.897 27.555 1.00 0.00 WAT +ATOM 40997 OH2 TIP3 11563 -37.525 -42.209 23.827 1.00 0.00 WAT +ATOM 40998 H1 TIP3 11563 -38.392 -42.301 23.406 1.00 0.00 WAT +ATOM 40999 H2 TIP3 11563 -37.641 -41.354 24.265 1.00 0.00 WAT +ATOM 41000 OH2 TIP3 11564 -32.905 -42.614 27.411 1.00 0.00 WAT +ATOM 41001 H1 TIP3 11564 -32.714 -43.103 28.217 1.00 0.00 WAT +ATOM 41002 H2 TIP3 11564 -33.851 -42.779 27.304 1.00 0.00 WAT +ATOM 41003 OH2 TIP3 11565 -29.937 -38.637 27.821 1.00 0.00 WAT +ATOM 41004 H1 TIP3 11565 -30.515 -38.751 28.597 1.00 0.00 WAT +ATOM 41005 H2 TIP3 11565 -29.986 -37.682 27.645 1.00 0.00 WAT +ATOM 41006 OH2 TIP3 11566 -28.932 -33.627 14.100 1.00 0.00 WAT +ATOM 41007 H1 TIP3 11566 -29.140 -33.797 13.161 1.00 0.00 WAT +ATOM 41008 H2 TIP3 11566 -27.993 -33.375 14.033 1.00 0.00 WAT +ATOM 41009 OH2 TIP3 11567 -33.299 -39.927 14.553 1.00 0.00 WAT +ATOM 41010 H1 TIP3 11567 -33.833 -40.042 15.362 1.00 0.00 WAT +ATOM 41011 H2 TIP3 11567 -33.783 -40.541 13.958 1.00 0.00 WAT +ATOM 41012 OH2 TIP3 11568 -37.605 -37.145 25.094 1.00 0.00 WAT +ATOM 41013 H1 TIP3 11568 -38.219 -37.035 25.838 1.00 0.00 WAT +ATOM 41014 H2 TIP3 11568 -37.548 -36.237 24.728 1.00 0.00 WAT +ATOM 41015 OH2 TIP3 11569 -37.692 -37.094 19.982 1.00 0.00 WAT +ATOM 41016 H1 TIP3 11569 -38.647 -37.146 19.796 1.00 0.00 WAT +ATOM 41017 H2 TIP3 11569 -37.330 -37.260 19.089 1.00 0.00 WAT +ATOM 41018 OH2 TIP3 11570 -32.055 -36.511 18.745 1.00 0.00 WAT +ATOM 41019 H1 TIP3 11570 -32.466 -35.686 18.407 1.00 0.00 WAT +ATOM 41020 H2 TIP3 11570 -31.384 -36.678 18.064 1.00 0.00 WAT +ATOM 41021 OH2 TIP3 11571 -32.878 -36.303 30.107 1.00 0.00 WAT +ATOM 41022 H1 TIP3 11571 -33.382 -37.066 30.455 1.00 0.00 WAT +ATOM 41023 H2 TIP3 11571 -32.000 -36.441 30.512 1.00 0.00 WAT +ATOM 41024 OH2 TIP3 11572 -31.208 -37.110 21.527 1.00 0.00 WAT +ATOM 41025 H1 TIP3 11572 -31.503 -36.539 20.789 1.00 0.00 WAT +ATOM 41026 H2 TIP3 11572 -30.992 -37.920 21.022 1.00 0.00 WAT +ATOM 41027 OH2 TIP3 11573 -40.255 -36.975 26.923 1.00 0.00 WAT +ATOM 41028 H1 TIP3 11573 -39.961 -36.638 27.777 1.00 0.00 WAT +ATOM 41029 H2 TIP3 11573 -40.524 -37.885 27.150 1.00 0.00 WAT +ATOM 41030 OH2 TIP3 11574 -36.893 -39.404 13.509 1.00 0.00 WAT +ATOM 41031 H1 TIP3 11574 -37.238 -39.786 14.336 1.00 0.00 WAT +ATOM 41032 H2 TIP3 11574 -37.686 -39.267 12.980 1.00 0.00 WAT +ATOM 41033 OH2 TIP3 11575 -43.247 -39.424 20.569 1.00 0.00 WAT +ATOM 41034 H1 TIP3 11575 -43.045 -39.692 21.486 1.00 0.00 WAT +ATOM 41035 H2 TIP3 11575 -42.878 -40.143 20.052 1.00 0.00 WAT +ATOM 41036 OH2 TIP3 11576 -42.137 -38.815 16.451 1.00 0.00 WAT +ATOM 41037 H1 TIP3 11576 -41.516 -38.612 15.722 1.00 0.00 WAT +ATOM 41038 H2 TIP3 11576 -42.979 -38.631 16.023 1.00 0.00 WAT +ATOM 41039 OH2 TIP3 11577 -32.111 -35.434 25.987 1.00 0.00 WAT +ATOM 41040 H1 TIP3 11577 -31.679 -36.158 25.478 1.00 0.00 WAT +ATOM 41041 H2 TIP3 11577 -32.440 -35.912 26.760 1.00 0.00 WAT +ATOM 41042 OH2 TIP3 11578 -34.898 -39.404 20.975 1.00 0.00 WAT +ATOM 41043 H1 TIP3 11578 -35.829 -39.603 21.169 1.00 0.00 WAT +ATOM 41044 H2 TIP3 11578 -34.461 -39.724 21.782 1.00 0.00 WAT +ATOM 41045 OH2 TIP3 11579 -40.385 -38.243 19.650 1.00 0.00 WAT +ATOM 41046 H1 TIP3 11579 -41.221 -38.189 19.174 1.00 0.00 WAT +ATOM 41047 H2 TIP3 11579 -40.002 -39.066 19.289 1.00 0.00 WAT +ATOM 41048 OH2 TIP3 11580 -36.717 -37.914 17.367 1.00 0.00 WAT +ATOM 41049 H1 TIP3 11580 -35.747 -37.851 17.411 1.00 0.00 WAT +ATOM 41050 H2 TIP3 11580 -36.956 -37.306 16.646 1.00 0.00 WAT +ATOM 41051 OH2 TIP3 11581 -30.562 -40.327 24.017 1.00 0.00 WAT +ATOM 41052 H1 TIP3 11581 -31.203 -40.348 24.755 1.00 0.00 WAT +ATOM 41053 H2 TIP3 11581 -31.134 -40.631 23.292 1.00 0.00 WAT +ATOM 41054 OH2 TIP3 11582 -38.246 -36.691 15.107 1.00 0.00 WAT +ATOM 41055 H1 TIP3 11582 -38.816 -36.988 14.385 1.00 0.00 WAT +ATOM 41056 H2 TIP3 11582 -37.425 -36.477 14.631 1.00 0.00 WAT +ATOM 41057 OH2 TIP3 11583 -27.511 -24.542 30.686 1.00 0.00 WAT +ATOM 41058 H1 TIP3 11583 -27.265 -24.122 29.843 1.00 0.00 WAT +ATOM 41059 H2 TIP3 11583 -26.772 -24.275 31.261 1.00 0.00 WAT +ATOM 41060 OH2 TIP3 11584 -39.498 -31.956 30.126 1.00 0.00 WAT +ATOM 41061 H1 TIP3 11584 -38.897 -31.881 30.893 1.00 0.00 WAT +ATOM 41062 H2 TIP3 11584 -40.363 -31.866 30.583 1.00 0.00 WAT +ATOM 41063 OH2 TIP3 11585 -33.884 -36.933 22.834 1.00 0.00 WAT +ATOM 41064 H1 TIP3 11585 -33.172 -37.372 22.345 1.00 0.00 WAT +ATOM 41065 H2 TIP3 11585 -34.052 -37.568 23.557 1.00 0.00 WAT +ATOM 41066 OH2 TIP3 11586 -38.803 -40.605 19.053 1.00 0.00 WAT +ATOM 41067 H1 TIP3 11586 -39.214 -41.475 19.183 1.00 0.00 WAT +ATOM 41068 H2 TIP3 11586 -37.943 -40.841 18.672 1.00 0.00 WAT +ATOM 41069 OH2 TIP3 11587 -34.925 -38.494 25.078 1.00 0.00 WAT +ATOM 41070 H1 TIP3 11587 -35.679 -37.882 25.074 1.00 0.00 WAT +ATOM 41071 H2 TIP3 11587 -34.427 -38.226 25.877 1.00 0.00 WAT +ATOM 41072 OH2 TIP3 11588 -34.799 -32.071 16.955 1.00 0.00 WAT +ATOM 41073 H1 TIP3 11588 -35.553 -32.596 16.612 1.00 0.00 WAT +ATOM 41074 H2 TIP3 11588 -34.974 -32.052 17.923 1.00 0.00 WAT +ATOM 41075 OH2 TIP3 11589 -27.556 -32.929 25.705 1.00 0.00 WAT +ATOM 41076 H1 TIP3 11589 -27.055 -32.392 25.053 1.00 0.00 WAT +ATOM 41077 H2 TIP3 11589 -28.407 -33.048 25.239 1.00 0.00 WAT +ATOM 41078 OH2 TIP3 11590 -30.617 -39.322 14.597 1.00 0.00 WAT +ATOM 41079 H1 TIP3 11590 -31.600 -39.379 14.611 1.00 0.00 WAT +ATOM 41080 H2 TIP3 11590 -30.425 -38.623 15.252 1.00 0.00 WAT +ATOM 41081 OH2 TIP3 11591 -33.133 -32.081 28.285 1.00 0.00 WAT +ATOM 41082 H1 TIP3 11591 -33.427 -32.409 29.145 1.00 0.00 WAT +ATOM 41083 H2 TIP3 11591 -33.441 -31.163 28.286 1.00 0.00 WAT +ATOM 41084 OH2 TIP3 11592 -29.963 -37.486 16.744 1.00 0.00 WAT +ATOM 41085 H1 TIP3 11592 -29.091 -37.633 17.161 1.00 0.00 WAT +ATOM 41086 H2 TIP3 11592 -29.854 -36.604 16.345 1.00 0.00 WAT +ATOM 41087 OH2 TIP3 11593 -39.725 -32.751 22.703 1.00 0.00 WAT +ATOM 41088 H1 TIP3 11593 -39.095 -32.851 21.967 1.00 0.00 WAT +ATOM 41089 H2 TIP3 11593 -39.615 -33.592 23.176 1.00 0.00 WAT +ATOM 41090 OH2 TIP3 11594 -32.379 -30.729 15.889 1.00 0.00 WAT +ATOM 41091 H1 TIP3 11594 -32.636 -29.868 16.276 1.00 0.00 WAT +ATOM 41092 H2 TIP3 11594 -33.130 -31.286 16.163 1.00 0.00 WAT +ATOM 41093 OH2 TIP3 11595 -42.392 -34.254 28.333 1.00 0.00 WAT +ATOM 41094 H1 TIP3 11595 -42.305 -34.914 29.041 1.00 0.00 WAT +ATOM 41095 H2 TIP3 11595 -42.868 -34.764 27.636 1.00 0.00 WAT +ATOM 41096 OH2 TIP3 11596 -35.400 -34.909 30.037 1.00 0.00 WAT +ATOM 41097 H1 TIP3 11596 -35.762 -35.174 29.174 1.00 0.00 WAT +ATOM 41098 H2 TIP3 11596 -34.476 -35.208 29.942 1.00 0.00 WAT +ATOM 41099 OH2 TIP3 11597 -30.867 -29.476 27.761 1.00 0.00 WAT +ATOM 41100 H1 TIP3 11597 -31.834 -29.412 27.696 1.00 0.00 WAT +ATOM 41101 H2 TIP3 11597 -30.709 -29.242 28.687 1.00 0.00 WAT +ATOM 41102 OH2 TIP3 11598 -25.335 -37.460 16.523 1.00 0.00 WAT +ATOM 41103 H1 TIP3 11598 -25.910 -37.655 15.756 1.00 0.00 WAT +ATOM 41104 H2 TIP3 11598 -25.237 -36.496 16.390 1.00 0.00 WAT +ATOM 41105 OH2 TIP3 11599 -24.894 -31.404 29.330 1.00 0.00 WAT +ATOM 41106 H1 TIP3 11599 -25.831 -31.186 29.139 1.00 0.00 WAT +ATOM 41107 H2 TIP3 11599 -24.560 -31.584 28.430 1.00 0.00 WAT +ATOM 41108 OH2 TIP3 11600 -27.153 -28.838 16.627 1.00 0.00 WAT +ATOM 41109 H1 TIP3 11600 -27.342 -29.629 17.151 1.00 0.00 WAT +ATOM 41110 H2 TIP3 11600 -26.613 -29.180 15.899 1.00 0.00 WAT +ATOM 41111 OH2 TIP3 11601 -29.900 -33.502 24.014 1.00 0.00 WAT +ATOM 41112 H1 TIP3 11601 -30.829 -33.658 23.762 1.00 0.00 WAT +ATOM 41113 H2 TIP3 11601 -29.456 -34.218 23.517 1.00 0.00 WAT +ATOM 41114 OH2 TIP3 11602 -37.275 -29.412 20.075 1.00 0.00 WAT +ATOM 41115 H1 TIP3 11602 -36.852 -28.553 19.920 1.00 0.00 WAT +ATOM 41116 H2 TIP3 11602 -38.186 -29.236 19.805 1.00 0.00 WAT +ATOM 41117 OH2 TIP3 11603 -41.547 -34.466 14.748 1.00 0.00 WAT +ATOM 41118 H1 TIP3 11603 -40.813 -33.951 15.140 1.00 0.00 WAT +ATOM 41119 H2 TIP3 11603 -42.285 -33.868 14.921 1.00 0.00 WAT +ATOM 41120 OH2 TIP3 11604 -35.425 -31.728 19.677 1.00 0.00 WAT +ATOM 41121 H1 TIP3 11604 -35.730 -30.818 19.815 1.00 0.00 WAT +ATOM 41122 H2 TIP3 11604 -36.142 -32.234 20.087 1.00 0.00 WAT +ATOM 41123 OH2 TIP3 11605 -35.265 -27.460 26.029 1.00 0.00 WAT +ATOM 41124 H1 TIP3 11605 -34.704 -26.728 25.720 1.00 0.00 WAT +ATOM 41125 H2 TIP3 11605 -34.632 -27.976 26.553 1.00 0.00 WAT +ATOM 41126 OH2 TIP3 11606 -36.813 -26.521 19.272 1.00 0.00 WAT +ATOM 41127 H1 TIP3 11606 -37.768 -26.378 19.332 1.00 0.00 WAT +ATOM 41128 H2 TIP3 11606 -36.464 -25.638 19.495 1.00 0.00 WAT +ATOM 41129 OH2 TIP3 11607 -31.846 -31.710 25.594 1.00 0.00 WAT +ATOM 41130 H1 TIP3 11607 -32.136 -32.011 26.474 1.00 0.00 WAT +ATOM 41131 H2 TIP3 11607 -31.120 -32.326 25.400 1.00 0.00 WAT +ATOM 41132 OH2 TIP3 11608 -29.692 -30.416 14.507 1.00 0.00 WAT +ATOM 41133 H1 TIP3 11608 -29.261 -30.867 15.255 1.00 0.00 WAT +ATOM 41134 H2 TIP3 11608 -30.619 -30.557 14.763 1.00 0.00 WAT +ATOM 41135 OH2 TIP3 11609 -28.931 -27.129 27.998 1.00 0.00 WAT +ATOM 41136 H1 TIP3 11609 -29.670 -27.597 27.563 1.00 0.00 WAT +ATOM 41137 H2 TIP3 11609 -28.806 -26.354 27.420 1.00 0.00 WAT +ATOM 41138 OH2 TIP3 11610 -24.952 -26.149 15.049 1.00 0.00 WAT +ATOM 41139 H1 TIP3 11610 -24.256 -25.517 14.799 1.00 0.00 WAT +ATOM 41140 H2 TIP3 11610 -25.718 -25.547 15.027 1.00 0.00 WAT +ATOM 41141 OH2 TIP3 11611 -41.065 -39.602 27.701 1.00 0.00 WAT +ATOM 41142 H1 TIP3 11611 -41.962 -39.265 27.536 1.00 0.00 WAT +ATOM 41143 H2 TIP3 11611 -41.247 -40.479 28.108 1.00 0.00 WAT +ATOM 41144 OH2 TIP3 11612 -28.722 -31.786 16.914 1.00 0.00 WAT +ATOM 41145 H1 TIP3 11612 -28.988 -32.527 17.486 1.00 0.00 WAT +ATOM 41146 H2 TIP3 11612 -27.751 -31.828 16.975 1.00 0.00 WAT +ATOM 41147 OH2 TIP3 11613 -41.280 -27.991 26.111 1.00 0.00 WAT +ATOM 41148 H1 TIP3 11613 -41.091 -28.935 26.201 1.00 0.00 WAT +ATOM 41149 H2 TIP3 11613 -40.951 -27.665 26.955 1.00 0.00 WAT +ATOM 41150 OH2 TIP3 11614 -35.454 -29.360 13.083 1.00 0.00 WAT +ATOM 41151 H1 TIP3 11614 -35.151 -30.141 12.584 1.00 0.00 WAT +ATOM 41152 H2 TIP3 11614 -35.872 -29.778 13.854 1.00 0.00 WAT +ATOM 41153 OH2 TIP3 11615 -36.637 -29.857 15.814 1.00 0.00 WAT +ATOM 41154 H1 TIP3 11615 -36.100 -30.387 16.422 1.00 0.00 WAT +ATOM 41155 H2 TIP3 11615 -36.470 -28.944 16.128 1.00 0.00 WAT +ATOM 41156 OH2 TIP3 11616 -39.873 -32.437 16.124 1.00 0.00 WAT +ATOM 41157 H1 TIP3 11616 -40.566 -32.029 16.696 1.00 0.00 WAT +ATOM 41158 H2 TIP3 11616 -39.365 -31.640 15.902 1.00 0.00 WAT +ATOM 41159 OH2 TIP3 11617 -32.167 -40.062 26.315 1.00 0.00 WAT +ATOM 41160 H1 TIP3 11617 -31.510 -39.812 26.980 1.00 0.00 WAT +ATOM 41161 H2 TIP3 11617 -32.507 -40.914 26.648 1.00 0.00 WAT +ATOM 41162 OH2 TIP3 11618 -31.391 -40.555 17.450 1.00 0.00 WAT +ATOM 41163 H1 TIP3 11618 -31.281 -39.977 16.680 1.00 0.00 WAT +ATOM 41164 H2 TIP3 11618 -30.993 -40.020 18.157 1.00 0.00 WAT +ATOM 41165 OH2 TIP3 11619 -33.649 -28.213 16.434 1.00 0.00 WAT +ATOM 41166 H1 TIP3 11619 -34.475 -27.727 16.588 1.00 0.00 WAT +ATOM 41167 H2 TIP3 11619 -33.295 -27.763 15.654 1.00 0.00 WAT +ATOM 41168 OH2 TIP3 11620 -34.030 -38.514 18.445 1.00 0.00 WAT +ATOM 41169 H1 TIP3 11620 -33.286 -37.892 18.577 1.00 0.00 WAT +ATOM 41170 H2 TIP3 11620 -34.322 -38.672 19.366 1.00 0.00 WAT +ATOM 41171 OH2 TIP3 11621 -33.698 -37.606 27.571 1.00 0.00 WAT +ATOM 41172 H1 TIP3 11621 -33.603 -37.100 28.395 1.00 0.00 WAT +ATOM 41173 H2 TIP3 11621 -33.126 -38.368 27.729 1.00 0.00 WAT +ATOM 41174 OH2 TIP3 11622 -33.308 -41.735 19.434 1.00 0.00 WAT +ATOM 41175 H1 TIP3 11622 -33.640 -40.986 19.956 1.00 0.00 WAT +ATOM 41176 H2 TIP3 11622 -32.746 -41.285 18.776 1.00 0.00 WAT +ATOM 41177 OH2 TIP3 11623 -36.453 -27.148 16.423 1.00 0.00 WAT +ATOM 41178 H1 TIP3 11623 -36.523 -26.339 15.876 1.00 0.00 WAT +ATOM 41179 H2 TIP3 11623 -36.573 -26.798 17.324 1.00 0.00 WAT +ATOM 41180 OH2 TIP3 11624 -37.757 -40.505 15.966 1.00 0.00 WAT +ATOM 41181 H1 TIP3 11624 -37.712 -39.672 16.470 1.00 0.00 WAT +ATOM 41182 H2 TIP3 11624 -36.877 -40.874 16.183 1.00 0.00 WAT +ATOM 41183 OH2 TIP3 11625 -27.314 -39.626 28.390 1.00 0.00 WAT +ATOM 41184 H1 TIP3 11625 -28.280 -39.524 28.289 1.00 0.00 WAT +ATOM 41185 H2 TIP3 11625 -27.104 -39.886 27.482 1.00 0.00 WAT +ATOM 41186 OH2 TIP3 11626 -28.902 -35.733 22.495 1.00 0.00 WAT +ATOM 41187 H1 TIP3 11626 -29.713 -36.195 22.212 1.00 0.00 WAT +ATOM 41188 H2 TIP3 11626 -28.405 -36.451 22.948 1.00 0.00 WAT +ATOM 41189 OH2 TIP3 11627 -39.313 -29.571 14.954 1.00 0.00 WAT +ATOM 41190 H1 TIP3 11627 -38.543 -29.154 15.373 1.00 0.00 WAT +ATOM 41191 H2 TIP3 11627 -38.858 -30.139 14.315 1.00 0.00 WAT +ATOM 41192 OH2 TIP3 11628 -41.178 -37.487 14.149 1.00 0.00 WAT +ATOM 41193 H1 TIP3 11628 -41.057 -36.535 14.297 1.00 0.00 WAT +ATOM 41194 H2 TIP3 11628 -41.914 -37.535 13.527 1.00 0.00 WAT +ATOM 41195 OH2 TIP3 11629 -27.885 -26.876 23.889 1.00 0.00 WAT +ATOM 41196 H1 TIP3 11629 -28.049 -26.068 23.365 1.00 0.00 WAT +ATOM 41197 H2 TIP3 11629 -26.951 -26.747 24.117 1.00 0.00 WAT +ATOM 41198 OH2 TIP3 11630 -40.745 -42.373 23.070 1.00 0.00 WAT +ATOM 41199 H1 TIP3 11630 -40.600 -42.571 22.135 1.00 0.00 WAT +ATOM 41200 H2 TIP3 11630 -41.122 -43.215 23.378 1.00 0.00 WAT +ATOM 41201 OH2 TIP3 11631 -41.343 -28.760 19.144 1.00 0.00 WAT +ATOM 41202 H1 TIP3 11631 -42.271 -28.480 19.178 1.00 0.00 WAT +ATOM 41203 H2 TIP3 11631 -41.058 -28.413 18.289 1.00 0.00 WAT +ATOM 41204 OH2 TIP3 11632 -42.139 -26.040 30.322 1.00 0.00 WAT +ATOM 41205 H1 TIP3 11632 -41.519 -26.052 31.071 1.00 0.00 WAT +ATOM 41206 H2 TIP3 11632 -42.177 -27.001 30.174 1.00 0.00 WAT +ATOM 41207 OH2 TIP3 11633 -36.894 -26.886 32.254 1.00 0.00 WAT +ATOM 41208 H1 TIP3 11633 -36.474 -27.767 32.237 1.00 0.00 WAT +ATOM 41209 H2 TIP3 11633 -37.402 -26.945 31.427 1.00 0.00 WAT +ATOM 41210 OH2 TIP3 11634 -33.226 -27.668 13.599 1.00 0.00 WAT +ATOM 41211 H1 TIP3 11634 -33.974 -28.291 13.476 1.00 0.00 WAT +ATOM 41212 H2 TIP3 11634 -32.504 -28.189 13.210 1.00 0.00 WAT +ATOM 41213 OH2 TIP3 11635 -30.901 -28.533 30.751 1.00 0.00 WAT +ATOM 41214 H1 TIP3 11635 -31.264 -29.382 31.061 1.00 0.00 WAT +ATOM 41215 H2 TIP3 11635 -30.125 -28.419 31.329 1.00 0.00 WAT +ATOM 41216 OH2 TIP3 11636 -28.605 -27.746 13.697 1.00 0.00 WAT +ATOM 41217 H1 TIP3 11636 -28.432 -28.563 14.192 1.00 0.00 WAT +ATOM 41218 H2 TIP3 11636 -27.826 -27.693 13.114 1.00 0.00 WAT +ATOM 41219 OH2 TIP3 11637 -41.983 -32.007 30.935 1.00 0.00 WAT +ATOM 41220 H1 TIP3 11637 -41.906 -32.905 30.581 1.00 0.00 WAT +ATOM 41221 H2 TIP3 11637 -42.865 -31.740 30.635 1.00 0.00 WAT +ATOM 41222 OH2 TIP3 11638 -37.810 -31.940 13.424 1.00 0.00 WAT +ATOM 41223 H1 TIP3 11638 -37.615 -32.523 14.177 1.00 0.00 WAT +ATOM 41224 H2 TIP3 11638 -36.955 -31.960 12.953 1.00 0.00 WAT +ATOM 41225 OH2 TIP3 11639 -35.416 -32.151 30.757 1.00 0.00 WAT +ATOM 41226 H1 TIP3 11639 -35.685 -31.826 29.881 1.00 0.00 WAT +ATOM 41227 H2 TIP3 11639 -35.304 -33.112 30.601 1.00 0.00 WAT +ATOM 41228 OH2 TIP3 11640 -32.586 -30.610 13.036 1.00 0.00 WAT +ATOM 41229 H1 TIP3 11640 -32.600 -30.653 14.008 1.00 0.00 WAT +ATOM 41230 H2 TIP3 11640 -32.609 -31.567 12.823 1.00 0.00 WAT +ATOM 41231 OH2 TIP3 11641 -30.015 -32.536 28.137 1.00 0.00 WAT +ATOM 41232 H1 TIP3 11641 -29.225 -32.011 27.933 1.00 0.00 WAT +ATOM 41233 H2 TIP3 11641 -30.706 -31.857 28.104 1.00 0.00 WAT +ATOM 41234 OH2 TIP3 11642 -41.347 -35.297 30.731 1.00 0.00 WAT +ATOM 41235 H1 TIP3 11642 -40.543 -35.837 30.616 1.00 0.00 WAT +ATOM 41236 H2 TIP3 11642 -41.241 -34.996 31.647 1.00 0.00 WAT +ATOM 41237 OH2 TIP3 11643 -36.741 -33.838 15.754 1.00 0.00 WAT +ATOM 41238 H1 TIP3 11643 -37.338 -34.356 16.316 1.00 0.00 WAT +ATOM 41239 H2 TIP3 11643 -36.425 -34.521 15.127 1.00 0.00 WAT +ATOM 41240 OH2 TIP3 11644 -37.502 -36.076 28.022 1.00 0.00 WAT +ATOM 41241 H1 TIP3 11644 -38.051 -35.286 28.179 1.00 0.00 WAT +ATOM 41242 H2 TIP3 11644 -36.846 -35.738 27.385 1.00 0.00 WAT +ATOM 41243 OH2 TIP3 11645 -35.765 -35.827 14.011 1.00 0.00 WAT +ATOM 41244 H1 TIP3 11645 -35.786 -35.742 13.040 1.00 0.00 WAT +ATOM 41245 H2 TIP3 11645 -34.805 -35.879 14.177 1.00 0.00 WAT +ATOM 41246 OH2 TIP3 11646 -32.183 -33.360 31.591 1.00 0.00 WAT +ATOM 41247 H1 TIP3 11646 -31.294 -33.552 31.254 1.00 0.00 WAT +ATOM 41248 H2 TIP3 11646 -32.441 -34.224 31.943 1.00 0.00 WAT +ATOM 41249 OH2 TIP3 11647 -26.249 -33.335 13.312 1.00 0.00 WAT +ATOM 41250 H1 TIP3 11647 -26.383 -33.723 12.433 1.00 0.00 WAT +ATOM 41251 H2 TIP3 11647 -26.342 -32.382 13.095 1.00 0.00 WAT +ATOM 41252 OH2 TIP3 11648 -36.926 -38.805 29.121 1.00 0.00 WAT +ATOM 41253 H1 TIP3 11648 -36.827 -39.447 28.398 1.00 0.00 WAT +ATOM 41254 H2 TIP3 11648 -37.107 -37.984 28.630 1.00 0.00 WAT +ATOM 41255 OH2 TIP3 11649 -36.514 -40.370 26.544 1.00 0.00 WAT +ATOM 41256 H1 TIP3 11649 -35.998 -39.814 25.924 1.00 0.00 WAT +ATOM 41257 H2 TIP3 11649 -37.431 -40.267 26.209 1.00 0.00 WAT +ATOM 41258 OH2 TIP3 11650 -35.010 -34.871 27.008 1.00 0.00 WAT +ATOM 41259 H1 TIP3 11650 -34.178 -34.959 26.518 1.00 0.00 WAT +ATOM 41260 H2 TIP3 11650 -35.325 -34.002 26.691 1.00 0.00 WAT +ATOM 41261 OH2 TIP3 11651 -30.445 -36.926 31.784 1.00 0.00 WAT +ATOM 41262 H1 TIP3 11651 -30.244 -37.862 31.945 1.00 0.00 WAT +ATOM 41263 H2 TIP3 11651 -29.554 -36.546 31.730 1.00 0.00 WAT +ATOM 41264 OH2 TIP3 11652 -29.481 -34.146 30.273 1.00 0.00 WAT +ATOM 41265 H1 TIP3 11652 -29.812 -33.533 29.583 1.00 0.00 WAT +ATOM 41266 H2 TIP3 11652 -28.581 -34.308 29.924 1.00 0.00 WAT +ATOM 41267 OH2 TIP3 11653 -38.793 -36.911 30.912 1.00 0.00 WAT +ATOM 41268 H1 TIP3 11653 -39.284 -37.752 30.931 1.00 0.00 WAT +ATOM 41269 H2 TIP3 11653 -37.966 -37.181 30.484 1.00 0.00 WAT +ATOM 41270 OH2 TIP3 11654 -36.064 -42.773 27.758 1.00 0.00 WAT +ATOM 41271 H1 TIP3 11654 -35.921 -41.872 27.400 1.00 0.00 WAT +ATOM 41272 H2 TIP3 11654 -36.998 -42.877 27.541 1.00 0.00 WAT +ATOM 41273 OH2 TIP3 11655 -34.574 -38.425 30.717 1.00 0.00 WAT +ATOM 41274 H1 TIP3 11655 -34.876 -38.721 31.593 1.00 0.00 WAT +ATOM 41275 H2 TIP3 11655 -35.376 -38.631 30.193 1.00 0.00 WAT +ATOM 41276 OH2 TIP3 11656 -31.967 -39.433 29.711 1.00 0.00 WAT +ATOM 41277 H1 TIP3 11656 -32.866 -39.317 30.071 1.00 0.00 WAT +ATOM 41278 H2 TIP3 11656 -31.598 -40.101 30.317 1.00 0.00 WAT +ATOM 41279 OH2 TIP3 11657 -30.262 -41.365 31.378 1.00 0.00 WAT +ATOM 41280 H1 TIP3 11657 -30.393 -42.240 31.764 1.00 0.00 WAT +ATOM 41281 H2 TIP3 11657 -30.389 -40.773 32.137 1.00 0.00 WAT +ATOM 41282 OH2 TIP3 11658 -40.034 -39.525 30.795 1.00 0.00 WAT +ATOM 41283 H1 TIP3 11658 -40.238 -40.197 30.123 1.00 0.00 WAT +ATOM 41284 H2 TIP3 11658 -40.391 -39.931 31.603 1.00 0.00 WAT +ATOM 41285 OH2 TIP3 11659 -34.945 -41.449 31.807 1.00 0.00 WAT +ATOM 41286 H1 TIP3 11659 -35.146 -42.287 31.349 1.00 0.00 WAT +ATOM 41287 H2 TIP3 11659 -35.812 -41.018 31.863 1.00 0.00 WAT +ATOM 41288 OH2 TIP3 11660 -36.000 -24.577 15.115 1.00 0.00 WAT +ATOM 41289 H1 TIP3 11660 -35.041 -24.499 15.227 1.00 0.00 WAT +ATOM 41290 H2 TIP3 11660 -36.111 -24.161 14.251 1.00 0.00 WAT +ATOM 41291 OH2 TIP3 11661 -41.990 -29.699 14.192 1.00 0.00 WAT +ATOM 41292 H1 TIP3 11661 -41.213 -29.759 14.782 1.00 0.00 WAT +ATOM 41293 H2 TIP3 11661 -42.171 -30.627 13.984 1.00 0.00 WAT +ATOM 41294 OH2 TIP3 11662 -42.751 -26.900 21.332 1.00 0.00 WAT +ATOM 41295 H1 TIP3 11662 -42.762 -27.802 21.699 1.00 0.00 WAT +ATOM 41296 H2 TIP3 11662 -42.425 -26.413 22.102 1.00 0.00 WAT +ATOM 41297 OH2 TIP3 11663 -25.164 -25.700 24.380 1.00 0.00 WAT +ATOM 41298 H1 TIP3 11663 -24.979 -25.755 25.329 1.00 0.00 WAT +ATOM 41299 H2 TIP3 11663 -24.303 -25.431 24.030 1.00 0.00 WAT +ATOM 41300 OH2 TIP3 11664 -25.268 -26.273 27.259 1.00 0.00 WAT +ATOM 41301 H1 TIP3 11664 -25.767 -27.027 26.894 1.00 0.00 WAT +ATOM 41302 H2 TIP3 11664 -24.702 -26.738 27.895 1.00 0.00 WAT +ATOM 41303 OH2 TIP3 11665 -27.272 -30.823 31.534 1.00 0.00 WAT +ATOM 41304 H1 TIP3 11665 -28.140 -30.753 31.967 1.00 0.00 WAT +ATOM 41305 H2 TIP3 11665 -26.811 -30.029 31.857 1.00 0.00 WAT +ATOM 41306 OH2 TIP3 11666 -25.866 -31.944 17.281 1.00 0.00 WAT +ATOM 41307 H1 TIP3 11666 -24.959 -31.619 17.435 1.00 0.00 WAT +ATOM 41308 H2 TIP3 11666 -25.941 -32.588 18.010 1.00 0.00 WAT +ATOM 41309 OH2 TIP3 11667 -25.409 -33.971 19.252 1.00 0.00 WAT +ATOM 41310 H1 TIP3 11667 -26.071 -34.549 19.679 1.00 0.00 WAT +ATOM 41311 H2 TIP3 11667 -24.720 -33.871 19.937 1.00 0.00 WAT +ATOM 41312 OH2 TIP3 11668 -25.678 -31.487 24.233 1.00 0.00 WAT +ATOM 41313 H1 TIP3 11668 -25.062 -31.983 23.672 1.00 0.00 WAT +ATOM 41314 H2 TIP3 11668 -25.535 -30.575 23.928 1.00 0.00 WAT +ATOM 41315 OH2 TIP3 11669 -26.956 -28.564 26.469 1.00 0.00 WAT +ATOM 41316 H1 TIP3 11669 -27.694 -28.184 26.975 1.00 0.00 WAT +ATOM 41317 H2 TIP3 11669 -27.413 -28.933 25.687 1.00 0.00 WAT +ATOM 41318 OH2 TIP3 11670 -25.152 -34.545 15.835 1.00 0.00 WAT +ATOM 41319 H1 TIP3 11670 -25.660 -34.268 15.048 1.00 0.00 WAT +ATOM 41320 H2 TIP3 11670 -25.283 -33.781 16.418 1.00 0.00 WAT +ATOM 41321 OH2 TIP3 11671 -26.875 -36.976 14.095 1.00 0.00 WAT +ATOM 41322 H1 TIP3 11671 -26.604 -36.399 13.368 1.00 0.00 WAT +ATOM 41323 H2 TIP3 11671 -27.140 -37.794 13.629 1.00 0.00 WAT +ATOM 41324 OH2 TIP3 11672 -27.460 -35.838 20.073 1.00 0.00 WAT +ATOM 41325 H1 TIP3 11672 -27.531 -36.788 19.881 1.00 0.00 WAT +ATOM 41326 H2 TIP3 11672 -27.849 -35.769 20.967 1.00 0.00 WAT +ATOM 41327 OH2 TIP3 11673 -42.559 -33.338 24.035 1.00 0.00 WAT +ATOM 41328 H1 TIP3 11673 -42.248 -33.150 23.135 1.00 0.00 WAT +ATOM 41329 H2 TIP3 11673 -41.761 -33.765 24.419 1.00 0.00 WAT +ATOM 41330 OH2 TIP3 11674 -26.863 -33.924 29.220 1.00 0.00 WAT +ATOM 41331 H1 TIP3 11674 -26.129 -34.547 29.375 1.00 0.00 WAT +ATOM 41332 H2 TIP3 11674 -26.398 -33.099 29.025 1.00 0.00 WAT +ATOM 41333 OH2 TIP3 11675 -25.314 -35.836 30.439 1.00 0.00 WAT +ATOM 41334 H1 TIP3 11675 -26.097 -36.373 30.195 1.00 0.00 WAT +ATOM 41335 H2 TIP3 11675 -24.607 -36.508 30.411 1.00 0.00 WAT +ATOM 41336 OH2 TIP3 11676 -27.497 -39.634 13.336 1.00 0.00 WAT +ATOM 41337 H1 TIP3 11676 -26.847 -40.150 13.844 1.00 0.00 WAT +ATOM 41338 H2 TIP3 11676 -28.273 -40.207 13.357 1.00 0.00 WAT +ATOM 41339 OH2 TIP3 11677 -27.631 -38.273 18.266 1.00 0.00 WAT +ATOM 41340 H1 TIP3 11677 -27.462 -39.244 18.322 1.00 0.00 WAT +ATOM 41341 H2 TIP3 11677 -26.808 -37.982 17.837 1.00 0.00 WAT +ATOM 41342 OH2 TIP3 11678 -27.377 -37.729 23.651 1.00 0.00 WAT +ATOM 41343 H1 TIP3 11678 -26.399 -37.677 23.628 1.00 0.00 WAT +ATOM 41344 H2 TIP3 11678 -27.515 -37.762 24.612 1.00 0.00 WAT +ATOM 41345 OH2 TIP3 11679 -27.227 -37.061 26.516 1.00 0.00 WAT +ATOM 41346 H1 TIP3 11679 -28.070 -36.636 26.760 1.00 0.00 WAT +ATOM 41347 H2 TIP3 11679 -26.673 -36.291 26.285 1.00 0.00 WAT +ATOM 41348 OH2 TIP3 11680 -42.824 -38.385 30.290 1.00 0.00 WAT +ATOM 41349 H1 TIP3 11680 -41.995 -38.811 30.034 1.00 0.00 WAT +ATOM 41350 H2 TIP3 11680 -43.462 -39.116 30.302 1.00 0.00 WAT +ATOM 41351 OH2 TIP3 11681 -25.056 -42.765 32.283 1.00 0.00 WAT +ATOM 41352 H1 TIP3 11681 -24.578 -43.567 32.051 1.00 0.00 WAT +ATOM 41353 H2 TIP3 11681 -25.041 -42.183 31.490 1.00 0.00 WAT +ATOM 41354 OH2 TIP3 11682 -27.335 -40.984 18.353 1.00 0.00 WAT +ATOM 41355 H1 TIP3 11682 -27.073 -41.517 19.116 1.00 0.00 WAT +ATOM 41356 H2 TIP3 11682 -27.932 -41.601 17.891 1.00 0.00 WAT +ATOM 41357 OH2 TIP3 11683 -41.933 -39.893 23.179 1.00 0.00 WAT +ATOM 41358 H1 TIP3 11683 -41.603 -40.810 23.279 1.00 0.00 WAT +ATOM 41359 H2 TIP3 11683 -41.144 -39.376 23.419 1.00 0.00 WAT +ATOM 41360 OH2 TIP3 11684 -43.322 -37.266 24.126 1.00 0.00 WAT +ATOM 41361 H1 TIP3 11684 -42.935 -37.782 23.403 1.00 0.00 WAT +ATOM 41362 H2 TIP3 11684 -43.139 -36.364 23.834 1.00 0.00 WAT +ATOM 41363 OH2 TIP3 11685 -25.274 -41.115 30.121 1.00 0.00 WAT +ATOM 41364 H1 TIP3 11685 -26.126 -40.644 30.196 1.00 0.00 WAT +ATOM 41365 H2 TIP3 11685 -25.368 -41.468 29.219 1.00 0.00 WAT +ATOM 41366 OH2 TIP3 11686 -25.141 -40.717 14.902 1.00 0.00 WAT +ATOM 41367 H1 TIP3 11686 -24.909 -41.499 14.367 1.00 0.00 WAT +ATOM 41368 H2 TIP3 11686 -24.335 -40.186 14.867 1.00 0.00 WAT +ATOM 41369 OH2 TIP3 11687 -43.138 -41.075 17.677 1.00 0.00 WAT +ATOM 41370 H1 TIP3 11687 -43.973 -40.784 17.289 1.00 0.00 WAT +ATOM 41371 H2 TIP3 11687 -42.536 -40.372 17.351 1.00 0.00 WAT +ATOM 41372 OH2 TIP3 11688 -28.275 -25.664 20.187 1.00 0.00 WAT +ATOM 41373 H1 TIP3 11688 -27.827 -25.913 19.359 1.00 0.00 WAT +ATOM 41374 H2 TIP3 11688 -27.543 -25.304 20.702 1.00 0.00 WAT +ATOM 41375 OH2 TIP3 11689 -42.830 -41.665 26.025 1.00 0.00 WAT +ATOM 41376 H1 TIP3 11689 -43.484 -42.141 26.587 1.00 0.00 WAT +ATOM 41377 H2 TIP3 11689 -43.259 -41.657 25.159 1.00 0.00 WAT +ATOM 41378 OH2 TIP3 11690 -41.166 -28.618 30.687 1.00 0.00 WAT +ATOM 41379 H1 TIP3 11690 -41.664 -29.242 30.148 1.00 0.00 WAT +ATOM 41380 H2 TIP3 11690 -41.343 -28.973 31.590 1.00 0.00 WAT +ATOM 41381 OH2 TIP3 11691 -38.017 -27.948 26.624 1.00 0.00 WAT +ATOM 41382 H1 TIP3 11691 -38.337 -27.127 26.208 1.00 0.00 WAT +ATOM 41383 H2 TIP3 11691 -37.064 -27.873 26.417 1.00 0.00 WAT +ATOM 41384 OH2 TIP3 11692 -33.543 -26.641 29.727 1.00 0.00 WAT +ATOM 41385 H1 TIP3 11692 -33.260 -26.929 30.606 1.00 0.00 WAT +ATOM 41386 H2 TIP3 11692 -32.716 -26.238 29.386 1.00 0.00 WAT +ATOM 41387 OH2 TIP3 11693 -31.281 -25.261 28.841 1.00 0.00 WAT +ATOM 41388 H1 TIP3 11693 -30.576 -25.866 28.562 1.00 0.00 WAT +ATOM 41389 H2 TIP3 11693 -30.922 -24.933 29.689 1.00 0.00 WAT +ATOM 41390 OH2 TIP3 11694 -26.649 -42.762 28.030 1.00 0.00 WAT +ATOM 41391 H1 TIP3 11694 -27.151 -42.145 27.470 1.00 0.00 WAT +ATOM 41392 H2 TIP3 11694 -26.440 -43.443 27.369 1.00 0.00 WAT +ATOM 41393 OH2 TIP3 11695 -40.688 -24.909 26.831 1.00 0.00 WAT +ATOM 41394 H1 TIP3 11695 -41.377 -24.428 26.335 1.00 0.00 WAT +ATOM 41395 H2 TIP3 11695 -41.028 -24.846 27.730 1.00 0.00 WAT +ATOM 41396 OH2 TIP3 11696 -38.176 -25.245 25.478 1.00 0.00 WAT +ATOM 41397 H1 TIP3 11696 -39.049 -25.063 25.881 1.00 0.00 WAT +ATOM 41398 H2 TIP3 11696 -38.147 -24.588 24.760 1.00 0.00 WAT +ATOM 41399 OH2 TIP3 11697 -33.423 -25.258 25.021 1.00 0.00 WAT +ATOM 41400 H1 TIP3 11697 -33.786 -24.829 24.225 1.00 0.00 WAT +ATOM 41401 H2 TIP3 11697 -33.320 -24.496 25.619 1.00 0.00 WAT +ATOM 41402 OH2 TIP3 11698 -31.084 -26.537 25.954 1.00 0.00 WAT +ATOM 41403 H1 TIP3 11698 -31.919 -26.183 25.593 1.00 0.00 WAT +ATOM 41404 H2 TIP3 11698 -30.502 -25.766 25.888 1.00 0.00 WAT +ATOM 41405 OH2 TIP3 11699 -28.561 -24.808 26.120 1.00 0.00 WAT +ATOM 41406 H1 TIP3 11699 -28.591 -23.858 25.893 1.00 0.00 WAT +ATOM 41407 H2 TIP3 11699 -28.263 -25.182 25.273 1.00 0.00 WAT +ATOM 41408 OH2 TIP3 11700 -41.236 -26.152 23.809 1.00 0.00 WAT +ATOM 41409 H1 TIP3 11700 -41.339 -26.624 24.661 1.00 0.00 WAT +ATOM 41410 H2 TIP3 11700 -40.496 -26.648 23.413 1.00 0.00 WAT +ATOM 41411 OH2 TIP3 11701 -39.105 -27.427 22.325 1.00 0.00 WAT +ATOM 41412 H1 TIP3 11701 -39.263 -28.359 22.579 1.00 0.00 WAT +ATOM 41413 H2 TIP3 11701 -38.191 -27.288 22.636 1.00 0.00 WAT +ATOM 41414 OH2 TIP3 11702 -36.297 -27.006 23.172 1.00 0.00 WAT +ATOM 41415 H1 TIP3 11702 -36.119 -27.932 22.933 1.00 0.00 WAT +ATOM 41416 H2 TIP3 11702 -36.237 -27.057 24.139 1.00 0.00 WAT +ATOM 41417 OH2 TIP3 11703 -33.004 -41.121 22.464 1.00 0.00 WAT +ATOM 41418 H1 TIP3 11703 -33.627 -41.824 22.739 1.00 0.00 WAT +ATOM 41419 H2 TIP3 11703 -32.402 -41.607 21.880 1.00 0.00 WAT +ATOM 41420 OH2 TIP3 11704 -27.719 -43.299 22.923 1.00 0.00 WAT +ATOM 41421 H1 TIP3 11704 -27.115 -42.902 22.271 1.00 0.00 WAT +ATOM 41422 H2 TIP3 11704 -28.586 -43.045 22.584 1.00 0.00 WAT +ATOM 41423 OH2 TIP3 11705 -25.769 -42.245 20.749 1.00 0.00 WAT +ATOM 41424 H1 TIP3 11705 -25.213 -42.481 19.997 1.00 0.00 WAT +ATOM 41425 H2 TIP3 11705 -25.577 -41.296 20.855 1.00 0.00 WAT +ATOM 41426 OH2 TIP3 11706 -40.739 -42.813 19.803 1.00 0.00 WAT +ATOM 41427 H1 TIP3 11706 -41.602 -43.160 19.543 1.00 0.00 WAT +ATOM 41428 H2 TIP3 11706 -40.269 -43.596 20.105 1.00 0.00 WAT +ATOM 41429 OH2 TIP3 11707 -42.060 -43.007 15.854 1.00 0.00 WAT +ATOM 41430 H1 TIP3 11707 -41.686 -42.344 15.246 1.00 0.00 WAT +ATOM 41431 H2 TIP3 11707 -42.587 -42.443 16.453 1.00 0.00 WAT +ATOM 41432 OH2 TIP3 11708 -36.141 -42.189 20.113 1.00 0.00 WAT +ATOM 41433 H1 TIP3 11708 -35.224 -42.338 19.839 1.00 0.00 WAT +ATOM 41434 H2 TIP3 11708 -36.342 -42.970 20.638 1.00 0.00 WAT +ATOM 41435 OH2 TIP3 11709 -30.598 -42.647 21.407 1.00 0.00 WAT +ATOM 41436 H1 TIP3 11709 -30.250 -42.610 20.506 1.00 0.00 WAT +ATOM 41437 H2 TIP3 11709 -30.723 -43.593 21.564 1.00 0.00 WAT +ATOM 41438 OH2 TIP3 11710 -29.532 -42.720 17.467 1.00 0.00 WAT +ATOM 41439 H1 TIP3 11710 -30.258 -42.142 17.164 1.00 0.00 WAT +ATOM 41440 H2 TIP3 11710 -29.879 -43.608 17.318 1.00 0.00 WAT +ATOM 41441 OH2 TIP3 11711 -41.894 -26.914 16.885 1.00 0.00 WAT +ATOM 41442 H1 TIP3 11711 -42.484 -27.118 16.152 1.00 0.00 WAT +ATOM 41443 H2 TIP3 11711 -41.821 -25.953 16.831 1.00 0.00 WAT +ATOM 41444 OH2 TIP3 11712 -40.095 -41.150 14.465 1.00 0.00 WAT +ATOM 41445 H1 TIP3 11712 -39.444 -41.564 13.875 1.00 0.00 WAT +ATOM 41446 H2 TIP3 11712 -39.501 -40.705 15.100 1.00 0.00 WAT +ATOM 41447 OH2 TIP3 11713 -34.928 -40.602 16.761 1.00 0.00 WAT +ATOM 41448 H1 TIP3 11713 -34.826 -41.427 17.275 1.00 0.00 WAT +ATOM 41449 H2 TIP3 11713 -34.704 -39.908 17.410 1.00 0.00 WAT +ATOM 41450 OH2 TIP3 11714 -32.955 -25.139 15.205 1.00 0.00 WAT +ATOM 41451 H1 TIP3 11714 -31.981 -25.115 15.153 1.00 0.00 WAT +ATOM 41452 H2 TIP3 11714 -33.144 -25.795 14.513 1.00 0.00 WAT +ATOM 41453 OH2 TIP3 11715 -26.470 -26.098 17.785 1.00 0.00 WAT +ATOM 41454 H1 TIP3 11715 -26.678 -26.947 17.345 1.00 0.00 WAT +ATOM 41455 H2 TIP3 11715 -26.454 -25.495 17.024 1.00 0.00 WAT +ATOM 41456 OH2 TIP3 11716 -41.162 -41.791 29.322 1.00 0.00 WAT +ATOM 41457 H1 TIP3 11716 -41.687 -42.502 29.735 1.00 0.00 WAT +ATOM 41458 H2 TIP3 11716 -40.335 -42.286 29.192 1.00 0.00 WAT +ATOM 41459 OH2 TIP3 11717 -38.084 -42.782 31.844 1.00 0.00 WAT +ATOM 41460 H1 TIP3 11717 -37.231 -43.049 31.431 1.00 0.00 WAT +ATOM 41461 H2 TIP3 11717 -38.283 -43.563 32.372 1.00 0.00 WAT +ATOM 41462 OH2 TIP3 11718 -40.118 -25.919 13.855 1.00 0.00 WAT +ATOM 41463 H1 TIP3 11718 -40.387 -25.759 14.770 1.00 0.00 WAT +ATOM 41464 H2 TIP3 11718 -39.413 -26.581 13.963 1.00 0.00 WAT +ATOM 41465 OH2 TIP3 11719 -26.972 -27.351 30.179 1.00 0.00 WAT +ATOM 41466 H1 TIP3 11719 -27.702 -27.539 29.563 1.00 0.00 WAT +ATOM 41467 H2 TIP3 11719 -27.124 -26.407 30.365 1.00 0.00 WAT +ATOM 41468 OH2 TIP3 11720 -12.751 -33.673 20.304 1.00 0.00 WAT +ATOM 41469 H1 TIP3 11720 -12.744 -32.706 20.408 1.00 0.00 WAT +ATOM 41470 H2 TIP3 11720 -13.522 -33.790 19.731 1.00 0.00 WAT +ATOM 41471 OH2 TIP3 11721 -13.883 -34.228 23.370 1.00 0.00 WAT +ATOM 41472 H1 TIP3 11721 -13.911 -34.796 24.155 1.00 0.00 WAT +ATOM 41473 H2 TIP3 11721 -14.170 -34.838 22.676 1.00 0.00 WAT +ATOM 41474 OH2 TIP3 11722 -21.413 -34.640 25.033 1.00 0.00 WAT +ATOM 41475 H1 TIP3 11722 -21.435 -35.390 25.656 1.00 0.00 WAT +ATOM 41476 H2 TIP3 11722 -20.714 -34.096 25.424 1.00 0.00 WAT +ATOM 41477 OH2 TIP3 11723 -10.216 -31.502 21.691 1.00 0.00 WAT +ATOM 41478 H1 TIP3 11723 -10.593 -32.191 22.253 1.00 0.00 WAT +ATOM 41479 H2 TIP3 11723 -9.925 -30.859 22.352 1.00 0.00 WAT +ATOM 41480 OH2 TIP3 11724 -20.767 -29.997 23.536 1.00 0.00 WAT +ATOM 41481 H1 TIP3 11724 -21.000 -30.917 23.286 1.00 0.00 WAT +ATOM 41482 H2 TIP3 11724 -19.835 -30.122 23.770 1.00 0.00 WAT +ATOM 41483 OH2 TIP3 11725 -23.772 -36.605 18.930 1.00 0.00 WAT +ATOM 41484 H1 TIP3 11725 -24.179 -35.727 19.005 1.00 0.00 WAT +ATOM 41485 H2 TIP3 11725 -24.486 -37.111 18.523 1.00 0.00 WAT +ATOM 41486 OH2 TIP3 11726 -22.960 -34.133 20.788 1.00 0.00 WAT +ATOM 41487 H1 TIP3 11726 -22.820 -34.973 21.268 1.00 0.00 WAT +ATOM 41488 H2 TIP3 11726 -22.127 -34.045 20.307 1.00 0.00 WAT +ATOM 41489 OH2 TIP3 11727 -13.208 -26.178 22.214 1.00 0.00 WAT +ATOM 41490 H1 TIP3 11727 -12.556 -26.849 21.937 1.00 0.00 WAT +ATOM 41491 H2 TIP3 11727 -13.423 -26.463 23.111 1.00 0.00 WAT +ATOM 41492 OH2 TIP3 11728 -15.408 -31.713 23.931 1.00 0.00 WAT +ATOM 41493 H1 TIP3 11728 -15.078 -32.430 23.361 1.00 0.00 WAT +ATOM 41494 H2 TIP3 11728 -14.598 -31.555 24.454 1.00 0.00 WAT +ATOM 41495 OH2 TIP3 11729 -6.796 -40.057 24.640 1.00 0.00 WAT +ATOM 41496 H1 TIP3 11729 -6.704 -39.225 25.119 1.00 0.00 WAT +ATOM 41497 H2 TIP3 11729 -6.162 -39.900 23.913 1.00 0.00 WAT +ATOM 41498 OH2 TIP3 11730 -12.111 -37.410 24.460 1.00 0.00 WAT +ATOM 41499 H1 TIP3 11730 -11.946 -38.368 24.454 1.00 0.00 WAT +ATOM 41500 H2 TIP3 11730 -12.214 -37.229 23.512 1.00 0.00 WAT +ATOM 41501 OH2 TIP3 11731 -19.158 -39.412 21.548 1.00 0.00 WAT +ATOM 41502 H1 TIP3 11731 -19.000 -38.564 21.090 1.00 0.00 WAT +ATOM 41503 H2 TIP3 11731 -19.485 -39.952 20.803 1.00 0.00 WAT +ATOM 41504 OH2 TIP3 11732 -11.252 -39.208 19.882 1.00 0.00 WAT +ATOM 41505 H1 TIP3 11732 -10.635 -39.647 20.500 1.00 0.00 WAT +ATOM 41506 H2 TIP3 11732 -10.631 -38.768 19.281 1.00 0.00 WAT +ATOM 41507 OH2 TIP3 11733 -22.439 -36.615 22.019 1.00 0.00 WAT +ATOM 41508 H1 TIP3 11733 -21.844 -37.115 22.598 1.00 0.00 WAT +ATOM 41509 H2 TIP3 11733 -22.379 -37.122 21.190 1.00 0.00 WAT +ATOM 41510 OH2 TIP3 11734 -17.062 -35.249 21.476 1.00 0.00 WAT +ATOM 41511 H1 TIP3 11734 -16.360 -35.798 21.874 1.00 0.00 WAT +ATOM 41512 H2 TIP3 11734 -17.571 -35.920 20.985 1.00 0.00 WAT +ATOM 41513 OH2 TIP3 11735 -20.340 -40.561 25.698 1.00 0.00 WAT +ATOM 41514 H1 TIP3 11735 -20.683 -40.012 24.973 1.00 0.00 WAT +ATOM 41515 H2 TIP3 11735 -21.011 -40.366 26.385 1.00 0.00 WAT +ATOM 41516 OH2 TIP3 11736 -12.879 -30.858 19.098 1.00 0.00 WAT +ATOM 41517 H1 TIP3 11736 -13.113 -31.033 18.183 1.00 0.00 WAT +ATOM 41518 H2 TIP3 11736 -13.285 -29.990 19.261 1.00 0.00 WAT +ATOM 41519 OH2 TIP3 11737 -17.405 -32.699 25.802 1.00 0.00 WAT +ATOM 41520 H1 TIP3 11737 -18.141 -32.103 26.059 1.00 0.00 WAT +ATOM 41521 H2 TIP3 11737 -16.782 -32.084 25.375 1.00 0.00 WAT +ATOM 41522 OH2 TIP3 11738 -9.345 -40.138 21.925 1.00 0.00 WAT +ATOM 41523 H1 TIP3 11738 -9.870 -40.604 22.587 1.00 0.00 WAT +ATOM 41524 H2 TIP3 11738 -8.895 -39.466 22.464 1.00 0.00 WAT +ATOM 41525 OH2 TIP3 11739 -20.737 -38.557 23.638 1.00 0.00 WAT +ATOM 41526 H1 TIP3 11739 -20.106 -37.950 24.079 1.00 0.00 WAT +ATOM 41527 H2 TIP3 11739 -20.170 -38.900 22.912 1.00 0.00 WAT +ATOM 41528 OH2 TIP3 11740 -19.420 -30.832 26.520 1.00 0.00 WAT +ATOM 41529 H1 TIP3 11740 -19.448 -29.902 26.228 1.00 0.00 WAT +ATOM 41530 H2 TIP3 11740 -20.284 -30.892 26.971 1.00 0.00 WAT +ATOM 41531 OH2 TIP3 11741 -23.102 -31.119 17.416 1.00 0.00 WAT +ATOM 41532 H1 TIP3 11741 -23.295 -30.627 16.598 1.00 0.00 WAT +ATOM 41533 H2 TIP3 11741 -22.936 -30.411 18.072 1.00 0.00 WAT +ATOM 41534 OH2 TIP3 11742 -9.652 -29.677 24.179 1.00 0.00 WAT +ATOM 41535 H1 TIP3 11742 -10.618 -29.537 24.201 1.00 0.00 WAT +ATOM 41536 H2 TIP3 11742 -9.354 -28.822 23.820 1.00 0.00 WAT +ATOM 41537 OH2 TIP3 11743 -9.247 -41.070 25.905 1.00 0.00 WAT +ATOM 41538 H1 TIP3 11743 -10.065 -40.803 25.452 1.00 0.00 WAT +ATOM 41539 H2 TIP3 11743 -8.595 -40.992 25.186 1.00 0.00 WAT +ATOM 41540 OH2 TIP3 11744 -16.111 43.814 22.965 1.00 0.00 WAT +ATOM 41541 H1 TIP3 11744 -16.177 42.854 23.016 1.00 0.00 WAT +ATOM 41542 H2 TIP3 11744 -16.995 44.131 23.240 1.00 0.00 WAT +ATOM 41543 OH2 TIP3 11745 -11.322 -27.743 20.763 1.00 0.00 WAT +ATOM 41544 H1 TIP3 11745 -10.834 -28.531 20.447 1.00 0.00 WAT +ATOM 41545 H2 TIP3 11745 -10.639 -27.049 20.663 1.00 0.00 WAT +ATOM 41546 OH2 TIP3 11746 -9.931 -29.869 19.391 1.00 0.00 WAT +ATOM 41547 H1 TIP3 11746 -10.373 -30.342 18.672 1.00 0.00 WAT +ATOM 41548 H2 TIP3 11746 -9.967 -30.530 20.109 1.00 0.00 WAT +ATOM 41549 OH2 TIP3 11747 -8.353 -31.081 27.865 1.00 0.00 WAT +ATOM 41550 H1 TIP3 11747 -8.462 -31.692 27.113 1.00 0.00 WAT +ATOM 41551 H2 TIP3 11747 -8.258 -30.221 27.407 1.00 0.00 WAT +ATOM 41552 OH2 TIP3 11748 -14.146 -34.107 17.537 1.00 0.00 WAT +ATOM 41553 H1 TIP3 11748 -14.791 -33.525 17.099 1.00 0.00 WAT +ATOM 41554 H2 TIP3 11748 -13.392 -34.065 16.926 1.00 0.00 WAT +ATOM 41555 OH2 TIP3 11749 -13.817 -35.971 14.618 1.00 0.00 WAT +ATOM 41556 H1 TIP3 11749 -13.129 -35.640 15.225 1.00 0.00 WAT +ATOM 41557 H2 TIP3 11749 -13.275 -36.511 14.022 1.00 0.00 WAT +ATOM 41558 OH2 TIP3 11750 -6.582 -34.869 25.802 1.00 0.00 WAT +ATOM 41559 H1 TIP3 11750 -7.331 -34.241 25.862 1.00 0.00 WAT +ATOM 41560 H2 TIP3 11750 -6.105 -34.502 25.028 1.00 0.00 WAT +ATOM 41561 OH2 TIP3 11751 -10.592 -34.156 18.637 1.00 0.00 WAT +ATOM 41562 H1 TIP3 11751 -11.268 -33.925 19.313 1.00 0.00 WAT +ATOM 41563 H2 TIP3 11751 -9.979 -34.699 19.163 1.00 0.00 WAT +ATOM 41564 OH2 TIP3 11752 -10.651 -35.683 27.444 1.00 0.00 WAT +ATOM 41565 H1 TIP3 11752 -10.637 -34.884 27.995 1.00 0.00 WAT +ATOM 41566 H2 TIP3 11752 -11.291 -35.384 26.773 1.00 0.00 WAT +ATOM 41567 OH2 TIP3 11753 -18.992 -33.373 20.405 1.00 0.00 WAT +ATOM 41568 H1 TIP3 11753 -19.297 -33.811 19.588 1.00 0.00 WAT +ATOM 41569 H2 TIP3 11753 -18.339 -34.010 20.745 1.00 0.00 WAT +ATOM 41570 OH2 TIP3 11754 -17.619 -29.964 23.147 1.00 0.00 WAT +ATOM 41571 H1 TIP3 11754 -17.725 -30.366 22.275 1.00 0.00 WAT +ATOM 41572 H2 TIP3 11754 -16.830 -30.432 23.485 1.00 0.00 WAT +ATOM 41573 OH2 TIP3 11755 -18.388 -34.580 23.903 1.00 0.00 WAT +ATOM 41574 H1 TIP3 11755 -17.821 -34.528 23.110 1.00 0.00 WAT +ATOM 41575 H2 TIP3 11755 -18.008 -33.895 24.484 1.00 0.00 WAT +ATOM 41576 OH2 TIP3 11756 -12.464 -29.048 24.476 1.00 0.00 WAT +ATOM 41577 H1 TIP3 11756 -12.437 -28.372 25.175 1.00 0.00 WAT +ATOM 41578 H2 TIP3 11756 -12.680 -29.865 24.959 1.00 0.00 WAT +ATOM 41579 OH2 TIP3 11757 -17.561 -30.253 28.730 1.00 0.00 WAT +ATOM 41580 H1 TIP3 11757 -18.062 -29.586 29.233 1.00 0.00 WAT +ATOM 41581 H2 TIP3 11757 -18.209 -30.505 28.046 1.00 0.00 WAT +ATOM 41582 OH2 TIP3 11758 -11.644 -34.705 16.099 1.00 0.00 WAT +ATOM 41583 H1 TIP3 11758 -11.162 -34.422 16.906 1.00 0.00 WAT +ATOM 41584 H2 TIP3 11758 -11.144 -34.204 15.407 1.00 0.00 WAT +ATOM 41585 OH2 TIP3 11759 -20.628 -33.840 27.849 1.00 0.00 WAT +ATOM 41586 H1 TIP3 11759 -20.577 -33.266 28.635 1.00 0.00 WAT +ATOM 41587 H2 TIP3 11759 -21.587 -33.981 27.776 1.00 0.00 WAT +ATOM 41588 OH2 TIP3 11760 -14.107 -28.040 19.601 1.00 0.00 WAT +ATOM 41589 H1 TIP3 11760 -13.683 -27.849 20.450 1.00 0.00 WAT +ATOM 41590 H2 TIP3 11760 -14.741 -27.323 19.505 1.00 0.00 WAT +ATOM 41591 OH2 TIP3 11761 -19.465 -28.057 29.554 1.00 0.00 WAT +ATOM 41592 H1 TIP3 11761 -19.579 -28.031 28.589 1.00 0.00 WAT +ATOM 41593 H2 TIP3 11761 -20.343 -28.338 29.877 1.00 0.00 WAT +ATOM 41594 OH2 TIP3 11762 -8.416 -43.237 15.329 1.00 0.00 WAT +ATOM 41595 H1 TIP3 11762 -8.864 -43.224 16.186 1.00 0.00 WAT +ATOM 41596 H2 TIP3 11762 -7.656 -42.669 15.520 1.00 0.00 WAT +ATOM 41597 OH2 TIP3 11763 -20.055 -34.647 17.916 1.00 0.00 WAT +ATOM 41598 H1 TIP3 11763 -20.277 -33.872 17.370 1.00 0.00 WAT +ATOM 41599 H2 TIP3 11763 -20.752 -35.269 17.672 1.00 0.00 WAT +ATOM 41600 OH2 TIP3 11764 -6.824 -28.825 14.170 1.00 0.00 WAT +ATOM 41601 H1 TIP3 11764 -6.660 -27.875 14.336 1.00 0.00 WAT +ATOM 41602 H2 TIP3 11764 -5.946 -29.212 14.346 1.00 0.00 WAT +ATOM 41603 OH2 TIP3 11765 -24.015 -31.962 26.675 1.00 0.00 WAT +ATOM 41604 H1 TIP3 11765 -24.445 -31.973 25.797 1.00 0.00 WAT +ATOM 41605 H2 TIP3 11765 -23.877 -32.913 26.844 1.00 0.00 WAT +ATOM 41606 OH2 TIP3 11766 -23.952 -29.028 23.601 1.00 0.00 WAT +ATOM 41607 H1 TIP3 11766 -23.031 -29.329 23.641 1.00 0.00 WAT +ATOM 41608 H2 TIP3 11766 -23.988 -28.432 24.363 1.00 0.00 WAT +ATOM 41609 OH2 TIP3 11767 -5.564 -28.424 29.410 1.00 0.00 WAT +ATOM 41610 H1 TIP3 11767 -5.685 -29.360 29.182 1.00 0.00 WAT +ATOM 41611 H2 TIP3 11767 -6.482 -28.172 29.656 1.00 0.00 WAT +ATOM 41612 OH2 TIP3 11768 -14.921 -29.193 28.166 1.00 0.00 WAT +ATOM 41613 H1 TIP3 11768 -14.840 -28.372 28.694 1.00 0.00 WAT +ATOM 41614 H2 TIP3 11768 -15.820 -29.493 28.406 1.00 0.00 WAT +ATOM 41615 OH2 TIP3 11769 -14.840 -25.131 17.634 1.00 0.00 WAT +ATOM 41616 H1 TIP3 11769 -14.004 -25.278 17.183 1.00 0.00 WAT +ATOM 41617 H2 TIP3 11769 -14.608 -24.448 18.293 1.00 0.00 WAT +ATOM 41618 OH2 TIP3 11770 -20.804 -26.257 19.748 1.00 0.00 WAT +ATOM 41619 H1 TIP3 11770 -20.653 -26.690 20.613 1.00 0.00 WAT +ATOM 41620 H2 TIP3 11770 -21.647 -26.647 19.482 1.00 0.00 WAT +ATOM 41621 OH2 TIP3 11771 -11.772 -26.101 15.356 1.00 0.00 WAT +ATOM 41622 H1 TIP3 11771 -11.193 -26.656 14.803 1.00 0.00 WAT +ATOM 41623 H2 TIP3 11771 -11.533 -26.405 16.249 1.00 0.00 WAT +ATOM 41624 OH2 TIP3 11772 -11.934 -26.528 18.189 1.00 0.00 WAT +ATOM 41625 H1 TIP3 11772 -12.868 -26.568 18.413 1.00 0.00 WAT +ATOM 41626 H2 TIP3 11772 -11.611 -27.227 18.788 1.00 0.00 WAT +ATOM 41627 OH2 TIP3 11773 -8.733 -37.076 29.740 1.00 0.00 WAT +ATOM 41628 H1 TIP3 11773 -9.349 -36.618 29.145 1.00 0.00 WAT +ATOM 41629 H2 TIP3 11773 -8.870 -37.998 29.492 1.00 0.00 WAT +ATOM 41630 OH2 TIP3 11774 -21.824 -30.403 27.917 1.00 0.00 WAT +ATOM 41631 H1 TIP3 11774 -21.545 -30.869 28.732 1.00 0.00 WAT +ATOM 41632 H2 TIP3 11774 -22.550 -30.960 27.583 1.00 0.00 WAT +ATOM 41633 OH2 TIP3 11775 -18.595 -42.198 23.839 1.00 0.00 WAT +ATOM 41634 H1 TIP3 11775 -19.405 -42.462 23.377 1.00 0.00 WAT +ATOM 41635 H2 TIP3 11775 -18.879 -41.368 24.250 1.00 0.00 WAT +ATOM 41636 OH2 TIP3 11776 -14.034 -42.635 27.411 1.00 0.00 WAT +ATOM 41637 H1 TIP3 11776 -13.888 -43.077 28.252 1.00 0.00 WAT +ATOM 41638 H2 TIP3 11776 -14.983 -42.771 27.285 1.00 0.00 WAT +ATOM 41639 OH2 TIP3 11777 -10.920 -38.590 27.915 1.00 0.00 WAT +ATOM 41640 H1 TIP3 11777 -11.616 -38.758 28.574 1.00 0.00 WAT +ATOM 41641 H2 TIP3 11777 -11.098 -37.670 27.644 1.00 0.00 WAT +ATOM 41642 OH2 TIP3 11778 -10.089 -33.646 14.096 1.00 0.00 WAT +ATOM 41643 H1 TIP3 11778 -10.284 -33.791 13.152 1.00 0.00 WAT +ATOM 41644 H2 TIP3 11778 -9.160 -33.356 14.044 1.00 0.00 WAT +ATOM 41645 OH2 TIP3 11779 -14.480 -39.868 14.486 1.00 0.00 WAT +ATOM 41646 H1 TIP3 11779 -14.969 -39.996 15.324 1.00 0.00 WAT +ATOM 41647 H2 TIP3 11779 -14.958 -40.517 13.926 1.00 0.00 WAT +ATOM 41648 OH2 TIP3 11780 -18.760 -37.159 25.088 1.00 0.00 WAT +ATOM 41649 H1 TIP3 11780 -19.342 -37.033 25.856 1.00 0.00 WAT +ATOM 41650 H2 TIP3 11780 -18.684 -36.247 24.733 1.00 0.00 WAT +ATOM 41651 OH2 TIP3 11781 -18.821 -37.086 19.975 1.00 0.00 WAT +ATOM 41652 H1 TIP3 11781 -19.779 -37.187 19.820 1.00 0.00 WAT +ATOM 41653 H2 TIP3 11781 -18.478 -37.266 19.080 1.00 0.00 WAT +ATOM 41654 OH2 TIP3 11782 -13.211 -36.504 18.732 1.00 0.00 WAT +ATOM 41655 H1 TIP3 11782 -13.626 -35.677 18.406 1.00 0.00 WAT +ATOM 41656 H2 TIP3 11782 -12.534 -36.654 18.053 1.00 0.00 WAT +ATOM 41657 OH2 TIP3 11783 -13.965 -36.363 30.059 1.00 0.00 WAT +ATOM 41658 H1 TIP3 11783 -14.524 -37.054 30.467 1.00 0.00 WAT +ATOM 41659 H2 TIP3 11783 -13.133 -36.461 30.561 1.00 0.00 WAT +ATOM 41660 OH2 TIP3 11784 -12.348 -37.109 21.524 1.00 0.00 WAT +ATOM 41661 H1 TIP3 11784 -12.646 -36.526 20.798 1.00 0.00 WAT +ATOM 41662 H2 TIP3 11784 -12.142 -37.915 21.008 1.00 0.00 WAT +ATOM 41663 OH2 TIP3 11785 -21.402 -36.962 26.916 1.00 0.00 WAT +ATOM 41664 H1 TIP3 11785 -21.120 -36.690 27.797 1.00 0.00 WAT +ATOM 41665 H2 TIP3 11785 -21.795 -37.837 27.103 1.00 0.00 WAT +ATOM 41666 OH2 TIP3 11786 -18.228 -39.325 13.400 1.00 0.00 WAT +ATOM 41667 H1 TIP3 11786 -18.329 -39.702 14.298 1.00 0.00 WAT +ATOM 41668 H2 TIP3 11786 -19.115 -39.449 13.033 1.00 0.00 WAT +ATOM 41669 OH2 TIP3 11787 -24.589 -39.524 20.562 1.00 0.00 WAT +ATOM 41670 H1 TIP3 11787 -24.009 -39.576 21.346 1.00 0.00 WAT +ATOM 41671 H2 TIP3 11787 -24.073 -39.946 19.861 1.00 0.00 WAT +ATOM 41672 OH2 TIP3 11788 -22.986 -39.084 16.296 1.00 0.00 WAT +ATOM 41673 H1 TIP3 11788 -22.449 -38.612 15.635 1.00 0.00 WAT +ATOM 41674 H2 TIP3 11788 -23.711 -38.450 16.453 1.00 0.00 WAT +ATOM 41675 OH2 TIP3 11789 -13.213 -35.440 26.024 1.00 0.00 WAT +ATOM 41676 H1 TIP3 11789 -12.805 -36.175 25.514 1.00 0.00 WAT +ATOM 41677 H2 TIP3 11789 -13.590 -35.911 26.781 1.00 0.00 WAT +ATOM 41678 OH2 TIP3 11790 -16.043 -39.437 20.965 1.00 0.00 WAT +ATOM 41679 H1 TIP3 11790 -16.983 -39.586 21.166 1.00 0.00 WAT +ATOM 41680 H2 TIP3 11790 -15.621 -39.716 21.793 1.00 0.00 WAT +ATOM 41681 OH2 TIP3 11791 -21.463 -38.253 19.657 1.00 0.00 WAT +ATOM 41682 H1 TIP3 11791 -22.296 -37.996 19.222 1.00 0.00 WAT +ATOM 41683 H2 TIP3 11791 -21.219 -39.085 19.208 1.00 0.00 WAT +ATOM 41684 OH2 TIP3 11792 -17.873 -37.888 17.297 1.00 0.00 WAT +ATOM 41685 H1 TIP3 11792 -16.905 -37.849 17.401 1.00 0.00 WAT +ATOM 41686 H2 TIP3 11792 -18.059 -37.207 16.633 1.00 0.00 WAT +ATOM 41687 OH2 TIP3 11793 -11.693 -40.336 24.010 1.00 0.00 WAT +ATOM 41688 H1 TIP3 11793 -12.328 -40.343 24.758 1.00 0.00 WAT +ATOM 41689 H2 TIP3 11793 -12.281 -40.644 23.297 1.00 0.00 WAT +ATOM 41690 OH2 TIP3 11794 -19.430 -36.628 14.938 1.00 0.00 WAT +ATOM 41691 H1 TIP3 11794 -19.974 -37.161 14.343 1.00 0.00 WAT +ATOM 41692 H2 TIP3 11794 -18.569 -36.587 14.492 1.00 0.00 WAT +ATOM 41693 OH2 TIP3 11795 -8.656 -24.568 30.677 1.00 0.00 WAT +ATOM 41694 H1 TIP3 11795 -8.434 -24.119 29.842 1.00 0.00 WAT +ATOM 41695 H2 TIP3 11795 -7.947 -24.253 31.263 1.00 0.00 WAT +ATOM 41696 OH2 TIP3 11796 -20.751 -31.946 30.100 1.00 0.00 WAT +ATOM 41697 H1 TIP3 11796 -20.067 -31.869 30.800 1.00 0.00 WAT +ATOM 41698 H2 TIP3 11796 -21.549 -31.958 30.662 1.00 0.00 WAT +ATOM 41699 OH2 TIP3 11797 -15.029 -36.939 22.833 1.00 0.00 WAT +ATOM 41700 H1 TIP3 11797 -14.319 -37.386 22.350 1.00 0.00 WAT +ATOM 41701 H2 TIP3 11797 -15.202 -37.563 23.564 1.00 0.00 WAT +ATOM 41702 OH2 TIP3 11798 -19.885 -40.658 19.036 1.00 0.00 WAT +ATOM 41703 H1 TIP3 11798 -20.377 -41.490 19.148 1.00 0.00 WAT +ATOM 41704 H2 TIP3 11798 -19.039 -40.972 18.685 1.00 0.00 WAT +ATOM 41705 OH2 TIP3 11799 -16.057 -38.486 25.088 1.00 0.00 WAT +ATOM 41706 H1 TIP3 11799 -16.823 -37.887 25.071 1.00 0.00 WAT +ATOM 41707 H2 TIP3 11799 -15.573 -38.198 25.889 1.00 0.00 WAT +ATOM 41708 OH2 TIP3 11800 -16.024 -31.977 16.907 1.00 0.00 WAT +ATOM 41709 H1 TIP3 11800 -16.737 -32.571 16.588 1.00 0.00 WAT +ATOM 41710 H2 TIP3 11800 -16.146 -32.004 17.883 1.00 0.00 WAT +ATOM 41711 OH2 TIP3 11801 -8.680 -32.947 25.697 1.00 0.00 WAT +ATOM 41712 H1 TIP3 11801 -8.194 -32.383 25.056 1.00 0.00 WAT +ATOM 41713 H2 TIP3 11801 -9.544 -33.043 25.248 1.00 0.00 WAT +ATOM 41714 OH2 TIP3 11802 -11.767 -39.342 14.614 1.00 0.00 WAT +ATOM 41715 H1 TIP3 11802 -12.751 -39.360 14.605 1.00 0.00 WAT +ATOM 41716 H2 TIP3 11802 -11.568 -38.620 15.242 1.00 0.00 WAT +ATOM 41717 OH2 TIP3 11803 -14.294 -32.091 28.280 1.00 0.00 WAT +ATOM 41718 H1 TIP3 11803 -14.568 -32.403 29.154 1.00 0.00 WAT +ATOM 41719 H2 TIP3 11803 -14.580 -31.164 28.290 1.00 0.00 WAT +ATOM 41720 OH2 TIP3 11804 -11.103 -37.485 16.733 1.00 0.00 WAT +ATOM 41721 H1 TIP3 11804 -10.232 -37.620 17.155 1.00 0.00 WAT +ATOM 41722 H2 TIP3 11804 -11.007 -36.596 16.346 1.00 0.00 WAT +ATOM 41723 OH2 TIP3 11805 -20.770 -32.699 22.793 1.00 0.00 WAT +ATOM 41724 H1 TIP3 11805 -20.223 -32.816 21.998 1.00 0.00 WAT +ATOM 41725 H2 TIP3 11805 -20.689 -33.565 23.224 1.00 0.00 WAT +ATOM 41726 OH2 TIP3 11806 -13.549 -30.688 15.911 1.00 0.00 WAT +ATOM 41727 H1 TIP3 11806 -13.816 -29.834 16.303 1.00 0.00 WAT +ATOM 41728 H2 TIP3 11806 -14.307 -31.246 16.158 1.00 0.00 WAT +ATOM 41729 OH2 TIP3 11807 -23.544 -34.426 28.060 1.00 0.00 WAT +ATOM 41730 H1 TIP3 11807 -23.364 -34.881 28.906 1.00 0.00 WAT +ATOM 41731 H2 TIP3 11807 -24.118 -35.057 27.594 1.00 0.00 WAT +ATOM 41732 OH2 TIP3 11808 -16.550 -34.934 30.029 1.00 0.00 WAT +ATOM 41733 H1 TIP3 11808 -16.889 -35.182 29.153 1.00 0.00 WAT +ATOM 41734 H2 TIP3 11808 -15.612 -35.175 29.937 1.00 0.00 WAT +ATOM 41735 OH2 TIP3 11809 -12.018 -29.519 27.761 1.00 0.00 WAT +ATOM 41736 H1 TIP3 11809 -12.981 -29.410 27.696 1.00 0.00 WAT +ATOM 41737 H2 TIP3 11809 -11.849 -29.240 28.677 1.00 0.00 WAT +ATOM 41738 OH2 TIP3 11810 -6.488 -37.449 16.539 1.00 0.00 WAT +ATOM 41739 H1 TIP3 11810 -7.040 -37.642 15.755 1.00 0.00 WAT +ATOM 41740 H2 TIP3 11810 -6.370 -36.487 16.394 1.00 0.00 WAT +ATOM 41741 OH2 TIP3 11811 -6.043 -31.478 29.325 1.00 0.00 WAT +ATOM 41742 H1 TIP3 11811 -6.973 -31.228 29.138 1.00 0.00 WAT +ATOM 41743 H2 TIP3 11811 -5.697 -31.569 28.414 1.00 0.00 WAT +ATOM 41744 OH2 TIP3 11812 -8.382 -28.888 16.580 1.00 0.00 WAT +ATOM 41745 H1 TIP3 11812 -8.425 -29.655 17.166 1.00 0.00 WAT +ATOM 41746 H2 TIP3 11812 -7.747 -29.159 15.900 1.00 0.00 WAT +ATOM 41747 OH2 TIP3 11813 -11.033 -33.503 24.012 1.00 0.00 WAT +ATOM 41748 H1 TIP3 11813 -11.969 -33.644 23.773 1.00 0.00 WAT +ATOM 41749 H2 TIP3 11813 -10.602 -34.218 23.506 1.00 0.00 WAT +ATOM 41750 OH2 TIP3 11814 -18.381 -29.365 20.002 1.00 0.00 WAT +ATOM 41751 H1 TIP3 11814 -17.969 -28.502 19.826 1.00 0.00 WAT +ATOM 41752 H2 TIP3 11814 -19.308 -29.174 19.812 1.00 0.00 WAT +ATOM 41753 OH2 TIP3 11815 -22.416 -34.650 14.692 1.00 0.00 WAT +ATOM 41754 H1 TIP3 11815 -21.848 -33.946 15.053 1.00 0.00 WAT +ATOM 41755 H2 TIP3 11815 -23.299 -34.348 14.979 1.00 0.00 WAT +ATOM 41756 OH2 TIP3 11816 -16.578 -31.705 19.676 1.00 0.00 WAT +ATOM 41757 H1 TIP3 11816 -16.898 -30.801 19.821 1.00 0.00 WAT +ATOM 41758 H2 TIP3 11816 -17.279 -32.224 20.096 1.00 0.00 WAT +ATOM 41759 OH2 TIP3 11817 -16.410 -27.467 26.016 1.00 0.00 WAT +ATOM 41760 H1 TIP3 11817 -15.851 -26.719 25.745 1.00 0.00 WAT +ATOM 41761 H2 TIP3 11817 -15.797 -27.962 26.585 1.00 0.00 WAT +ATOM 41762 OH2 TIP3 11818 -17.919 -26.651 18.994 1.00 0.00 WAT +ATOM 41763 H1 TIP3 11818 -18.871 -26.465 19.002 1.00 0.00 WAT +ATOM 41764 H2 TIP3 11818 -17.560 -25.777 19.223 1.00 0.00 WAT +ATOM 41765 OH2 TIP3 11819 -13.006 -31.729 25.584 1.00 0.00 WAT +ATOM 41766 H1 TIP3 11819 -13.291 -31.991 26.477 1.00 0.00 WAT +ATOM 41767 H2 TIP3 11819 -12.262 -32.333 25.425 1.00 0.00 WAT +ATOM 41768 OH2 TIP3 11820 -10.850 -30.402 14.493 1.00 0.00 WAT +ATOM 41769 H1 TIP3 11820 -10.385 -30.812 15.243 1.00 0.00 WAT +ATOM 41770 H2 TIP3 11820 -11.764 -30.536 14.786 1.00 0.00 WAT +ATOM 41771 OH2 TIP3 11821 -10.051 -27.150 27.972 1.00 0.00 WAT +ATOM 41772 H1 TIP3 11821 -10.814 -27.589 27.550 1.00 0.00 WAT +ATOM 41773 H2 TIP3 11821 -9.946 -26.347 27.429 1.00 0.00 WAT +ATOM 41774 OH2 TIP3 11822 -6.093 -26.138 15.031 1.00 0.00 WAT +ATOM 41775 H1 TIP3 11822 -5.390 -25.491 14.843 1.00 0.00 WAT +ATOM 41776 H2 TIP3 11822 -6.855 -25.528 15.042 1.00 0.00 WAT +ATOM 41777 OH2 TIP3 11823 -22.190 -39.615 27.631 1.00 0.00 WAT +ATOM 41778 H1 TIP3 11823 -23.104 -39.427 27.326 1.00 0.00 WAT +ATOM 41779 H2 TIP3 11823 -22.349 -40.473 28.081 1.00 0.00 WAT +ATOM 41780 OH2 TIP3 11824 -9.888 -31.805 16.915 1.00 0.00 WAT +ATOM 41781 H1 TIP3 11824 -10.113 -32.546 17.503 1.00 0.00 WAT +ATOM 41782 H2 TIP3 11824 -8.915 -31.813 16.950 1.00 0.00 WAT +ATOM 41783 OH2 TIP3 11825 -22.454 -28.027 26.066 1.00 0.00 WAT +ATOM 41784 H1 TIP3 11825 -22.154 -28.934 26.225 1.00 0.00 WAT +ATOM 41785 H2 TIP3 11825 -22.221 -27.618 26.909 1.00 0.00 WAT +ATOM 41786 OH2 TIP3 11826 -16.566 -29.291 13.109 1.00 0.00 WAT +ATOM 41787 H1 TIP3 11826 -16.224 -30.023 12.564 1.00 0.00 WAT +ATOM 41788 H2 TIP3 11826 -16.955 -29.774 13.853 1.00 0.00 WAT +ATOM 41789 OH2 TIP3 11827 -17.734 -29.529 15.958 1.00 0.00 WAT +ATOM 41790 H1 TIP3 11827 -17.268 -30.275 16.368 1.00 0.00 WAT +ATOM 41791 H2 TIP3 11827 -17.447 -28.799 16.515 1.00 0.00 WAT +ATOM 41792 OH2 TIP3 11828 -20.890 -32.398 16.208 1.00 0.00 WAT +ATOM 41793 H1 TIP3 11828 -21.642 -32.034 16.718 1.00 0.00 WAT +ATOM 41794 H2 TIP3 11828 -20.483 -31.576 15.883 1.00 0.00 WAT +ATOM 41795 OH2 TIP3 11829 -13.241 -40.092 26.292 1.00 0.00 WAT +ATOM 41796 H1 TIP3 11829 -12.696 -39.831 27.043 1.00 0.00 WAT +ATOM 41797 H2 TIP3 11829 -13.674 -40.901 26.617 1.00 0.00 WAT +ATOM 41798 OH2 TIP3 11830 -12.503 -40.564 17.449 1.00 0.00 WAT +ATOM 41799 H1 TIP3 11830 -12.412 -39.979 16.682 1.00 0.00 WAT +ATOM 41800 H2 TIP3 11830 -12.143 -40.012 18.162 1.00 0.00 WAT +ATOM 41801 OH2 TIP3 11831 -14.875 -28.193 16.458 1.00 0.00 WAT +ATOM 41802 H1 TIP3 11831 -15.567 -27.567 16.684 1.00 0.00 WAT +ATOM 41803 H2 TIP3 11831 -14.445 -27.782 15.690 1.00 0.00 WAT +ATOM 41804 OH2 TIP3 11832 -15.208 -38.490 18.450 1.00 0.00 WAT +ATOM 41805 H1 TIP3 11832 -14.453 -37.878 18.577 1.00 0.00 WAT +ATOM 41806 H2 TIP3 11832 -15.482 -38.661 19.373 1.00 0.00 WAT +ATOM 41807 OH2 TIP3 11833 -14.800 -37.598 27.557 1.00 0.00 WAT +ATOM 41808 H1 TIP3 11833 -14.763 -37.091 28.388 1.00 0.00 WAT +ATOM 41809 H2 TIP3 11833 -14.274 -38.374 27.783 1.00 0.00 WAT +ATOM 41810 OH2 TIP3 11834 -14.409 -41.730 19.494 1.00 0.00 WAT +ATOM 41811 H1 TIP3 11834 -14.795 -40.965 19.954 1.00 0.00 WAT +ATOM 41812 H2 TIP3 11834 -13.911 -41.298 18.776 1.00 0.00 WAT +ATOM 41813 OH2 TIP3 11835 -18.878 -40.451 15.882 1.00 0.00 WAT +ATOM 41814 H1 TIP3 11835 -18.879 -39.685 16.483 1.00 0.00 WAT +ATOM 41815 H2 TIP3 11835 -18.054 -40.890 16.163 1.00 0.00 WAT +ATOM 41816 OH2 TIP3 11836 -8.206 -39.677 28.150 1.00 0.00 WAT +ATOM 41817 H1 TIP3 11836 -9.151 -39.583 28.373 1.00 0.00 WAT +ATOM 41818 H2 TIP3 11836 -8.334 -39.814 27.195 1.00 0.00 WAT +ATOM 41819 OH2 TIP3 11837 -10.040 -35.754 22.486 1.00 0.00 WAT +ATOM 41820 H1 TIP3 11837 -10.871 -36.184 22.208 1.00 0.00 WAT +ATOM 41821 H2 TIP3 11837 -9.577 -36.482 22.953 1.00 0.00 WAT +ATOM 41822 OH2 TIP3 11838 -20.434 -29.661 14.987 1.00 0.00 WAT +ATOM 41823 H1 TIP3 11838 -19.655 -29.206 15.356 1.00 0.00 WAT +ATOM 41824 H2 TIP3 11838 -20.017 -30.117 14.238 1.00 0.00 WAT +ATOM 41825 OH2 TIP3 11839 -22.219 -37.432 13.936 1.00 0.00 WAT +ATOM 41826 H1 TIP3 11839 -22.178 -36.519 14.286 1.00 0.00 WAT +ATOM 41827 H2 TIP3 11839 -23.140 -37.499 13.642 1.00 0.00 WAT +ATOM 41828 OH2 TIP3 11840 -8.973 -26.875 23.910 1.00 0.00 WAT +ATOM 41829 H1 TIP3 11840 -9.156 -26.080 23.372 1.00 0.00 WAT +ATOM 41830 H2 TIP3 11840 -8.026 -26.744 24.084 1.00 0.00 WAT +ATOM 41831 OH2 TIP3 11841 -22.206 -42.421 23.018 1.00 0.00 WAT +ATOM 41832 H1 TIP3 11841 -21.868 -42.429 22.109 1.00 0.00 WAT +ATOM 41833 H2 TIP3 11841 -21.956 -43.319 23.287 1.00 0.00 WAT +ATOM 41834 OH2 TIP3 11842 -22.522 -28.894 19.142 1.00 0.00 WAT +ATOM 41835 H1 TIP3 11842 -23.301 -28.375 19.382 1.00 0.00 WAT +ATOM 41836 H2 TIP3 11842 -22.148 -28.360 18.424 1.00 0.00 WAT +ATOM 41837 OH2 TIP3 11843 -23.117 -25.975 30.285 1.00 0.00 WAT +ATOM 41838 H1 TIP3 11843 -22.528 -26.256 31.013 1.00 0.00 WAT +ATOM 41839 H2 TIP3 11843 -23.501 -26.831 30.009 1.00 0.00 WAT +ATOM 41840 OH2 TIP3 11844 -18.425 -26.896 32.053 1.00 0.00 WAT +ATOM 41841 H1 TIP3 11844 -17.741 -27.537 32.301 1.00 0.00 WAT +ATOM 41842 H2 TIP3 11844 -18.641 -27.190 31.153 1.00 0.00 WAT +ATOM 41843 OH2 TIP3 11845 -14.493 -27.443 13.736 1.00 0.00 WAT +ATOM 41844 H1 TIP3 11845 -15.092 -28.176 13.475 1.00 0.00 WAT +ATOM 41845 H2 TIP3 11845 -13.642 -27.770 13.394 1.00 0.00 WAT +ATOM 41846 OH2 TIP3 11846 -11.930 -28.667 30.631 1.00 0.00 WAT +ATOM 41847 H1 TIP3 11846 -12.336 -29.462 31.020 1.00 0.00 WAT +ATOM 41848 H2 TIP3 11846 -11.260 -28.428 31.296 1.00 0.00 WAT +ATOM 41849 OH2 TIP3 11847 -9.849 -27.669 13.767 1.00 0.00 WAT +ATOM 41850 H1 TIP3 11847 -9.607 -28.452 14.289 1.00 0.00 WAT +ATOM 41851 H2 TIP3 11847 -9.063 -27.558 13.204 1.00 0.00 WAT +ATOM 41852 OH2 TIP3 11848 -23.165 -32.355 31.403 1.00 0.00 WAT +ATOM 41853 H1 TIP3 11848 -23.069 -33.259 31.061 1.00 0.00 WAT +ATOM 41854 H2 TIP3 11848 -23.924 -32.040 30.875 1.00 0.00 WAT +ATOM 41855 OH2 TIP3 11849 -18.925 -31.845 13.470 1.00 0.00 WAT +ATOM 41856 H1 TIP3 11849 -18.774 -32.505 14.165 1.00 0.00 WAT +ATOM 41857 H2 TIP3 11849 -18.101 -31.924 12.949 1.00 0.00 WAT +ATOM 41858 OH2 TIP3 11850 -16.521 -32.155 30.744 1.00 0.00 WAT +ATOM 41859 H1 TIP3 11850 -16.833 -31.829 29.883 1.00 0.00 WAT +ATOM 41860 H2 TIP3 11850 -16.454 -33.121 30.599 1.00 0.00 WAT +ATOM 41861 OH2 TIP3 11851 -13.789 -30.606 13.055 1.00 0.00 WAT +ATOM 41862 H1 TIP3 11851 -13.728 -30.637 14.025 1.00 0.00 WAT +ATOM 41863 H2 TIP3 11851 -13.755 -31.562 12.844 1.00 0.00 WAT +ATOM 41864 OH2 TIP3 11852 -11.149 -32.530 28.143 1.00 0.00 WAT +ATOM 41865 H1 TIP3 11852 -10.387 -31.967 27.937 1.00 0.00 WAT +ATOM 41866 H2 TIP3 11852 -11.866 -31.874 28.133 1.00 0.00 WAT +ATOM 41867 OH2 TIP3 11853 -22.296 -35.228 30.570 1.00 0.00 WAT +ATOM 41868 H1 TIP3 11853 -21.542 -35.843 30.574 1.00 0.00 WAT +ATOM 41869 H2 TIP3 11853 -22.335 -34.993 31.512 1.00 0.00 WAT +ATOM 41870 OH2 TIP3 11854 -17.834 -33.869 15.762 1.00 0.00 WAT +ATOM 41871 H1 TIP3 11854 -18.484 -34.342 16.303 1.00 0.00 WAT +ATOM 41872 H2 TIP3 11854 -17.578 -34.558 15.118 1.00 0.00 WAT +ATOM 41873 OH2 TIP3 11855 -18.640 -36.093 27.992 1.00 0.00 WAT +ATOM 41874 H1 TIP3 11855 -19.171 -35.307 28.216 1.00 0.00 WAT +ATOM 41875 H2 TIP3 11855 -17.989 -35.718 27.372 1.00 0.00 WAT +ATOM 41876 OH2 TIP3 11856 -16.872 -35.837 13.935 1.00 0.00 WAT +ATOM 41877 H1 TIP3 11856 -16.856 -35.780 12.967 1.00 0.00 WAT +ATOM 41878 H2 TIP3 11856 -15.920 -35.871 14.152 1.00 0.00 WAT +ATOM 41879 OH2 TIP3 11857 -13.364 -33.394 31.546 1.00 0.00 WAT +ATOM 41880 H1 TIP3 11857 -12.445 -33.569 31.302 1.00 0.00 WAT +ATOM 41881 H2 TIP3 11857 -13.592 -34.198 32.038 1.00 0.00 WAT +ATOM 41882 OH2 TIP3 11858 -7.402 -33.325 13.338 1.00 0.00 WAT +ATOM 41883 H1 TIP3 11858 -7.490 -33.720 12.458 1.00 0.00 WAT +ATOM 41884 H2 TIP3 11858 -7.489 -32.372 13.115 1.00 0.00 WAT +ATOM 41885 OH2 TIP3 11859 -18.059 -38.800 29.108 1.00 0.00 WAT +ATOM 41886 H1 TIP3 11859 -17.970 -39.438 28.382 1.00 0.00 WAT +ATOM 41887 H2 TIP3 11859 -18.265 -37.979 28.626 1.00 0.00 WAT +ATOM 41888 OH2 TIP3 11860 -17.663 -40.378 26.540 1.00 0.00 WAT +ATOM 41889 H1 TIP3 11860 -17.146 -39.818 25.924 1.00 0.00 WAT +ATOM 41890 H2 TIP3 11860 -18.576 -40.274 26.199 1.00 0.00 WAT +ATOM 41891 OH2 TIP3 11861 -16.156 -34.878 26.989 1.00 0.00 WAT +ATOM 41892 H1 TIP3 11861 -15.311 -34.933 26.519 1.00 0.00 WAT +ATOM 41893 H2 TIP3 11861 -16.475 -34.001 26.699 1.00 0.00 WAT +ATOM 41894 OH2 TIP3 11862 -11.584 -37.071 31.777 1.00 0.00 WAT +ATOM 41895 H1 TIP3 11862 -11.371 -37.986 32.010 1.00 0.00 WAT +ATOM 41896 H2 TIP3 11862 -10.722 -36.637 31.849 1.00 0.00 WAT +ATOM 41897 OH2 TIP3 11863 -10.582 -34.221 30.221 1.00 0.00 WAT +ATOM 41898 H1 TIP3 11863 -10.969 -33.595 29.571 1.00 0.00 WAT +ATOM 41899 H2 TIP3 11863 -9.678 -34.309 29.862 1.00 0.00 WAT +ATOM 41900 OH2 TIP3 11864 -19.860 -36.955 30.911 1.00 0.00 WAT +ATOM 41901 H1 TIP3 11864 -20.362 -37.786 30.939 1.00 0.00 WAT +ATOM 41902 H2 TIP3 11864 -19.029 -37.245 30.504 1.00 0.00 WAT +ATOM 41903 OH2 TIP3 11865 -17.180 -42.774 27.767 1.00 0.00 WAT +ATOM 41904 H1 TIP3 11865 -17.070 -41.870 27.404 1.00 0.00 WAT +ATOM 41905 H2 TIP3 11865 -18.111 -42.910 27.549 1.00 0.00 WAT +ATOM 41906 OH2 TIP3 11866 -15.709 -38.436 30.690 1.00 0.00 WAT +ATOM 41907 H1 TIP3 11866 -15.979 -38.702 31.586 1.00 0.00 WAT +ATOM 41908 H2 TIP3 11866 -16.537 -38.632 30.205 1.00 0.00 WAT +ATOM 41909 OH2 TIP3 11867 -13.128 -39.501 29.638 1.00 0.00 WAT +ATOM 41910 H1 TIP3 11867 -13.996 -39.300 30.036 1.00 0.00 WAT +ATOM 41911 H2 TIP3 11867 -12.729 -40.056 30.335 1.00 0.00 WAT +ATOM 41912 OH2 TIP3 11868 -11.445 -41.187 31.525 1.00 0.00 WAT +ATOM 41913 H1 TIP3 11868 -11.480 -42.084 31.872 1.00 0.00 WAT +ATOM 41914 H2 TIP3 11868 -11.596 -40.656 32.337 1.00 0.00 WAT +ATOM 41915 OH2 TIP3 11869 -21.039 -39.599 30.827 1.00 0.00 WAT +ATOM 41916 H1 TIP3 11869 -21.312 -40.202 30.114 1.00 0.00 WAT +ATOM 41917 H2 TIP3 11869 -21.491 -39.978 31.596 1.00 0.00 WAT +ATOM 41918 OH2 TIP3 11870 -16.101 -41.508 31.767 1.00 0.00 WAT +ATOM 41919 H1 TIP3 11870 -16.372 -42.325 31.311 1.00 0.00 WAT +ATOM 41920 H2 TIP3 11870 -16.935 -41.018 31.857 1.00 0.00 WAT +ATOM 41921 OH2 TIP3 11871 -23.233 -30.217 14.675 1.00 0.00 WAT +ATOM 41922 H1 TIP3 11871 -22.278 -30.019 14.772 1.00 0.00 WAT +ATOM 41923 H2 TIP3 11871 -23.220 -30.977 14.058 1.00 0.00 WAT +ATOM 41924 OH2 TIP3 11872 -24.247 -25.001 19.389 1.00 0.00 WAT +ATOM 41925 H1 TIP3 11872 -24.950 -25.380 18.827 1.00 0.00 WAT +ATOM 41926 H2 TIP3 11872 -24.142 -25.695 20.069 1.00 0.00 WAT +ATOM 41927 OH2 TIP3 11873 -23.850 -26.985 21.370 1.00 0.00 WAT +ATOM 41928 H1 TIP3 11873 -24.134 -27.859 21.686 1.00 0.00 WAT +ATOM 41929 H2 TIP3 11873 -23.486 -26.631 22.197 1.00 0.00 WAT +ATOM 41930 OH2 TIP3 11874 -6.185 -25.815 24.335 1.00 0.00 WAT +ATOM 41931 H1 TIP3 11874 -6.014 -25.739 25.284 1.00 0.00 WAT +ATOM 41932 H2 TIP3 11874 -5.412 -25.347 23.973 1.00 0.00 WAT +ATOM 41933 OH2 TIP3 11875 -6.430 -26.270 27.283 1.00 0.00 WAT +ATOM 41934 H1 TIP3 11875 -6.889 -27.020 26.868 1.00 0.00 WAT +ATOM 41935 H2 TIP3 11875 -5.831 -26.738 27.883 1.00 0.00 WAT +ATOM 41936 OH2 TIP3 11876 -8.393 -30.898 31.582 1.00 0.00 WAT +ATOM 41937 H1 TIP3 11876 -9.290 -30.788 31.942 1.00 0.00 WAT +ATOM 41938 H2 TIP3 11876 -7.958 -30.067 31.836 1.00 0.00 WAT +ATOM 41939 OH2 TIP3 11877 -7.021 -31.940 17.283 1.00 0.00 WAT +ATOM 41940 H1 TIP3 11877 -6.116 -31.597 17.415 1.00 0.00 WAT +ATOM 41941 H2 TIP3 11877 -7.068 -32.582 18.015 1.00 0.00 WAT +ATOM 41942 OH2 TIP3 11878 -6.549 -33.980 19.251 1.00 0.00 WAT +ATOM 41943 H1 TIP3 11878 -7.204 -34.559 19.687 1.00 0.00 WAT +ATOM 41944 H2 TIP3 11878 -5.858 -33.864 19.932 1.00 0.00 WAT +ATOM 41945 OH2 TIP3 11879 -6.804 -31.496 24.246 1.00 0.00 WAT +ATOM 41946 H1 TIP3 11879 -6.195 -31.949 23.644 1.00 0.00 WAT +ATOM 41947 H2 TIP3 11879 -6.699 -30.571 23.961 1.00 0.00 WAT +ATOM 41948 OH2 TIP3 11880 -8.114 -28.629 26.511 1.00 0.00 WAT +ATOM 41949 H1 TIP3 11880 -8.832 -28.159 26.973 1.00 0.00 WAT +ATOM 41950 H2 TIP3 11880 -8.559 -28.931 25.696 1.00 0.00 WAT +ATOM 41951 OH2 TIP3 11881 -6.314 -34.556 15.843 1.00 0.00 WAT +ATOM 41952 H1 TIP3 11881 -6.800 -34.258 15.051 1.00 0.00 WAT +ATOM 41953 H2 TIP3 11881 -6.412 -33.780 16.419 1.00 0.00 WAT +ATOM 41954 OH2 TIP3 11882 -8.010 -36.998 14.094 1.00 0.00 WAT +ATOM 41955 H1 TIP3 11882 -7.749 -36.370 13.404 1.00 0.00 WAT +ATOM 41956 H2 TIP3 11882 -8.259 -37.786 13.578 1.00 0.00 WAT +ATOM 41957 OH2 TIP3 11883 -8.583 -35.848 20.084 1.00 0.00 WAT +ATOM 41958 H1 TIP3 11883 -8.688 -36.791 19.874 1.00 0.00 WAT +ATOM 41959 H2 TIP3 11883 -9.002 -35.770 20.964 1.00 0.00 WAT +ATOM 41960 OH2 TIP3 11884 -23.764 -33.636 23.770 1.00 0.00 WAT +ATOM 41961 H1 TIP3 11884 -23.516 -33.592 22.831 1.00 0.00 WAT +ATOM 41962 H2 TIP3 11884 -22.898 -33.859 24.171 1.00 0.00 WAT +ATOM 41963 OH2 TIP3 11885 -7.886 -34.040 29.344 1.00 0.00 WAT +ATOM 41964 H1 TIP3 11885 -7.112 -34.599 29.530 1.00 0.00 WAT +ATOM 41965 H2 TIP3 11885 -7.486 -33.207 29.049 1.00 0.00 WAT +ATOM 41966 OH2 TIP3 11886 -6.265 -36.207 30.351 1.00 0.00 WAT +ATOM 41967 H1 TIP3 11886 -7.135 -36.604 30.123 1.00 0.00 WAT +ATOM 41968 H2 TIP3 11886 -5.629 -36.908 30.199 1.00 0.00 WAT +ATOM 41969 OH2 TIP3 11887 -8.602 -39.698 13.260 1.00 0.00 WAT +ATOM 41970 H1 TIP3 11887 -8.011 -40.130 13.899 1.00 0.00 WAT +ATOM 41971 H2 TIP3 11887 -9.424 -40.194 13.356 1.00 0.00 WAT +ATOM 41972 OH2 TIP3 11888 -8.778 -38.268 18.274 1.00 0.00 WAT +ATOM 41973 H1 TIP3 11888 -8.601 -39.237 18.318 1.00 0.00 WAT +ATOM 41974 H2 TIP3 11888 -7.962 -37.964 17.839 1.00 0.00 WAT +ATOM 41975 OH2 TIP3 11889 -8.543 -37.760 23.685 1.00 0.00 WAT +ATOM 41976 H1 TIP3 11889 -7.580 -37.630 23.628 1.00 0.00 WAT +ATOM 41977 H2 TIP3 11889 -8.667 -37.726 24.648 1.00 0.00 WAT +ATOM 41978 OH2 TIP3 11890 -8.112 -37.210 26.531 1.00 0.00 WAT +ATOM 41979 H1 TIP3 11890 -8.967 -36.866 26.839 1.00 0.00 WAT +ATOM 41980 H2 TIP3 11890 -7.623 -36.388 26.332 1.00 0.00 WAT +ATOM 41981 OH2 TIP3 11891 -23.916 -38.355 30.293 1.00 0.00 WAT +ATOM 41982 H1 TIP3 11891 -22.988 -38.572 30.130 1.00 0.00 WAT +ATOM 41983 H2 TIP3 11891 -24.339 -39.228 30.265 1.00 0.00 WAT +ATOM 41984 OH2 TIP3 11892 -6.431 -42.708 31.785 1.00 0.00 WAT +ATOM 41985 H1 TIP3 11892 -5.784 -43.364 32.073 1.00 0.00 WAT +ATOM 41986 H2 TIP3 11892 -5.908 -41.957 31.453 1.00 0.00 WAT +ATOM 41987 OH2 TIP3 11893 -8.494 -40.984 18.346 1.00 0.00 WAT +ATOM 41988 H1 TIP3 11893 -8.239 -41.505 19.119 1.00 0.00 WAT +ATOM 41989 H2 TIP3 11893 -9.109 -41.596 17.898 1.00 0.00 WAT +ATOM 41990 OH2 TIP3 11894 -23.162 -39.899 22.982 1.00 0.00 WAT +ATOM 41991 H1 TIP3 11894 -22.849 -40.828 23.068 1.00 0.00 WAT +ATOM 41992 H2 TIP3 11894 -22.402 -39.407 23.345 1.00 0.00 WAT +ATOM 41993 OH2 TIP3 11895 -24.553 -37.275 23.998 1.00 0.00 WAT +ATOM 41994 H1 TIP3 11895 -23.962 -37.340 23.234 1.00 0.00 WAT +ATOM 41995 H2 TIP3 11895 -24.165 -36.530 24.475 1.00 0.00 WAT +ATOM 41996 OH2 TIP3 11896 -6.204 -40.670 29.957 1.00 0.00 WAT +ATOM 41997 H1 TIP3 11896 -7.018 -40.394 30.420 1.00 0.00 WAT +ATOM 41998 H2 TIP3 11896 -6.535 -41.432 29.446 1.00 0.00 WAT +ATOM 41999 OH2 TIP3 11897 -6.338 -40.600 14.984 1.00 0.00 WAT +ATOM 42000 H1 TIP3 11897 -6.164 -41.429 14.490 1.00 0.00 WAT +ATOM 42001 H2 TIP3 11897 -5.492 -40.134 14.932 1.00 0.00 WAT +ATOM 42002 OH2 TIP3 11898 -24.026 -40.976 18.104 1.00 0.00 WAT +ATOM 42003 H1 TIP3 11898 -24.968 -40.956 17.858 1.00 0.00 WAT +ATOM 42004 H2 TIP3 11898 -23.628 -40.328 17.487 1.00 0.00 WAT +ATOM 42005 OH2 TIP3 11899 -9.410 -25.699 20.216 1.00 0.00 WAT +ATOM 42006 H1 TIP3 11899 -8.971 -25.898 19.369 1.00 0.00 WAT +ATOM 42007 H2 TIP3 11899 -8.702 -25.235 20.682 1.00 0.00 WAT +ATOM 42008 OH2 TIP3 11900 -24.249 -41.267 26.583 1.00 0.00 WAT +ATOM 42009 H1 TIP3 11900 -24.232 -42.208 26.846 1.00 0.00 WAT +ATOM 42010 H2 TIP3 11900 -24.436 -41.340 25.637 1.00 0.00 WAT +ATOM 42011 OH2 TIP3 11901 -22.011 -28.960 30.887 1.00 0.00 WAT +ATOM 42012 H1 TIP3 11901 -22.755 -28.981 30.269 1.00 0.00 WAT +ATOM 42013 H2 TIP3 11901 -22.449 -29.008 31.748 1.00 0.00 WAT +ATOM 42014 OH2 TIP3 11902 -19.172 -27.985 26.564 1.00 0.00 WAT +ATOM 42015 H1 TIP3 11902 -19.474 -27.126 26.219 1.00 0.00 WAT +ATOM 42016 H2 TIP3 11902 -18.212 -27.896 26.398 1.00 0.00 WAT +ATOM 42017 OH2 TIP3 11903 -14.661 -26.684 29.582 1.00 0.00 WAT +ATOM 42018 H1 TIP3 11903 -14.520 -26.841 30.530 1.00 0.00 WAT +ATOM 42019 H2 TIP3 11903 -13.832 -26.225 29.334 1.00 0.00 WAT +ATOM 42020 OH2 TIP3 11904 -12.379 -25.222 28.823 1.00 0.00 WAT +ATOM 42021 H1 TIP3 11904 -11.683 -25.857 28.596 1.00 0.00 WAT +ATOM 42022 H2 TIP3 11904 -12.071 -24.907 29.695 1.00 0.00 WAT +ATOM 42023 OH2 TIP3 11905 -7.612 -42.759 28.025 1.00 0.00 WAT +ATOM 42024 H1 TIP3 11905 -8.176 -42.102 27.582 1.00 0.00 WAT +ATOM 42025 H2 TIP3 11905 -7.753 -43.516 27.429 1.00 0.00 WAT +ATOM 42026 OH2 TIP3 11906 -21.802 -25.030 26.903 1.00 0.00 WAT +ATOM 42027 H1 TIP3 11906 -22.389 -24.390 26.464 1.00 0.00 WAT +ATOM 42028 H2 TIP3 11906 -22.130 -24.982 27.809 1.00 0.00 WAT +ATOM 42029 OH2 TIP3 11907 -19.303 -25.259 25.451 1.00 0.00 WAT +ATOM 42030 H1 TIP3 11907 -20.154 -25.065 25.891 1.00 0.00 WAT +ATOM 42031 H2 TIP3 11907 -19.259 -24.561 24.771 1.00 0.00 WAT +ATOM 42032 OH2 TIP3 11908 -14.559 -25.253 25.014 1.00 0.00 WAT +ATOM 42033 H1 TIP3 11908 -14.926 -24.795 24.236 1.00 0.00 WAT +ATOM 42034 H2 TIP3 11908 -14.462 -24.512 25.643 1.00 0.00 WAT +ATOM 42035 OH2 TIP3 11909 -12.224 -26.546 25.931 1.00 0.00 WAT +ATOM 42036 H1 TIP3 11909 -13.067 -26.174 25.611 1.00 0.00 WAT +ATOM 42037 H2 TIP3 11909 -11.651 -25.765 25.915 1.00 0.00 WAT +ATOM 42038 OH2 TIP3 11910 -9.711 -24.807 26.111 1.00 0.00 WAT +ATOM 42039 H1 TIP3 11910 -9.725 -23.857 25.884 1.00 0.00 WAT +ATOM 42040 H2 TIP3 11910 -9.408 -25.185 25.267 1.00 0.00 WAT +ATOM 42041 OH2 TIP3 11911 -22.229 -26.236 23.847 1.00 0.00 WAT +ATOM 42042 H1 TIP3 11911 -22.235 -26.720 24.702 1.00 0.00 WAT +ATOM 42043 H2 TIP3 11911 -21.461 -26.658 23.412 1.00 0.00 WAT +ATOM 42044 OH2 TIP3 11912 -20.205 -27.470 22.308 1.00 0.00 WAT +ATOM 42045 H1 TIP3 11912 -20.355 -28.404 22.563 1.00 0.00 WAT +ATOM 42046 H2 TIP3 11912 -19.288 -27.324 22.614 1.00 0.00 WAT +ATOM 42047 OH2 TIP3 11913 -17.440 -27.030 23.163 1.00 0.00 WAT +ATOM 42048 H1 TIP3 11913 -17.261 -27.968 22.972 1.00 0.00 WAT +ATOM 42049 H2 TIP3 11913 -17.369 -27.031 24.130 1.00 0.00 WAT +ATOM 42050 OH2 TIP3 11914 -14.134 -41.123 22.490 1.00 0.00 WAT +ATOM 42051 H1 TIP3 11914 -14.768 -41.818 22.756 1.00 0.00 WAT +ATOM 42052 H2 TIP3 11914 -13.576 -41.597 21.857 1.00 0.00 WAT +ATOM 42053 OH2 TIP3 11915 -8.861 -43.262 22.958 1.00 0.00 WAT +ATOM 42054 H1 TIP3 11915 -8.270 -42.904 22.273 1.00 0.00 WAT +ATOM 42055 H2 TIP3 11915 -9.737 -43.071 22.591 1.00 0.00 WAT +ATOM 42056 OH2 TIP3 11916 -6.891 -42.249 20.758 1.00 0.00 WAT +ATOM 42057 H1 TIP3 11916 -6.369 -42.465 19.979 1.00 0.00 WAT +ATOM 42058 H2 TIP3 11916 -6.724 -41.291 20.850 1.00 0.00 WAT +ATOM 42059 OH2 TIP3 11917 -21.834 -42.773 19.930 1.00 0.00 WAT +ATOM 42060 H1 TIP3 11917 -22.675 -42.997 19.513 1.00 0.00 WAT +ATOM 42061 H2 TIP3 11917 -21.427 -43.635 20.058 1.00 0.00 WAT +ATOM 42062 OH2 TIP3 11918 -23.226 -42.908 16.112 1.00 0.00 WAT +ATOM 42063 H1 TIP3 11918 -22.907 -42.570 15.257 1.00 0.00 WAT +ATOM 42064 H2 TIP3 11918 -23.523 -42.093 16.548 1.00 0.00 WAT +ATOM 42065 OH2 TIP3 11919 -17.287 -42.271 20.042 1.00 0.00 WAT +ATOM 42066 H1 TIP3 11919 -16.343 -42.365 19.853 1.00 0.00 WAT +ATOM 42067 H2 TIP3 11919 -17.444 -42.929 20.724 1.00 0.00 WAT +ATOM 42068 OH2 TIP3 11920 -11.652 -42.669 21.438 1.00 0.00 WAT +ATOM 42069 H1 TIP3 11920 -11.424 -42.615 20.502 1.00 0.00 WAT +ATOM 42070 H2 TIP3 11920 -11.899 -43.597 21.555 1.00 0.00 WAT +ATOM 42071 OH2 TIP3 11921 -10.639 -42.719 17.377 1.00 0.00 WAT +ATOM 42072 H1 TIP3 11921 -11.395 -42.134 17.170 1.00 0.00 WAT +ATOM 42073 H2 TIP3 11921 -11.034 -43.599 17.346 1.00 0.00 WAT +ATOM 42074 OH2 TIP3 11922 -22.770 -26.957 17.094 1.00 0.00 WAT +ATOM 42075 H1 TIP3 11922 -23.388 -27.085 16.359 1.00 0.00 WAT +ATOM 42076 H2 TIP3 11922 -22.770 -25.989 17.144 1.00 0.00 WAT +ATOM 42077 OH2 TIP3 11923 -21.254 -41.068 14.361 1.00 0.00 WAT +ATOM 42078 H1 TIP3 11923 -20.652 -41.616 13.834 1.00 0.00 WAT +ATOM 42079 H2 TIP3 11923 -20.662 -40.737 15.059 1.00 0.00 WAT +ATOM 42080 OH2 TIP3 11924 -16.020 -40.584 16.718 1.00 0.00 WAT +ATOM 42081 H1 TIP3 11924 -15.960 -41.445 17.181 1.00 0.00 WAT +ATOM 42082 H2 TIP3 11924 -15.861 -39.929 17.424 1.00 0.00 WAT +ATOM 42083 OH2 TIP3 11925 -7.625 -26.085 17.794 1.00 0.00 WAT +ATOM 42084 H1 TIP3 11925 -7.809 -26.912 17.311 1.00 0.00 WAT +ATOM 42085 H2 TIP3 11925 -7.587 -25.445 17.061 1.00 0.00 WAT +ATOM 42086 OH2 TIP3 11926 -22.161 -41.779 29.255 1.00 0.00 WAT +ATOM 42087 H1 TIP3 11926 -22.615 -42.573 29.570 1.00 0.00 WAT +ATOM 42088 H2 TIP3 11926 -21.276 -42.155 29.132 1.00 0.00 WAT +ATOM 42089 OH2 TIP3 11927 -19.237 -42.790 31.891 1.00 0.00 WAT +ATOM 42090 H1 TIP3 11927 -18.373 -43.072 31.519 1.00 0.00 WAT +ATOM 42091 H2 TIP3 11927 -19.476 -43.563 32.416 1.00 0.00 WAT +ATOM 42092 OH2 TIP3 11928 -21.396 -26.092 13.871 1.00 0.00 WAT +ATOM 42093 H1 TIP3 11928 -21.607 -25.673 14.720 1.00 0.00 WAT +ATOM 42094 H2 TIP3 11928 -20.596 -26.594 14.075 1.00 0.00 WAT +ATOM 42095 OH2 TIP3 11929 -8.099 -27.352 30.167 1.00 0.00 WAT +ATOM 42096 H1 TIP3 11929 -8.826 -27.526 29.542 1.00 0.00 WAT +ATOM 42097 H2 TIP3 11929 -8.250 -26.406 30.357 1.00 0.00 WAT +ATOM 42098 OH2 TIP3 11930 6.101 -33.675 20.305 1.00 0.00 WAT +ATOM 42099 H1 TIP3 11930 6.108 -32.708 20.406 1.00 0.00 WAT +ATOM 42100 H2 TIP3 11930 5.345 -33.793 19.713 1.00 0.00 WAT +ATOM 42101 OH2 TIP3 11931 4.966 -34.222 23.362 1.00 0.00 WAT +ATOM 42102 H1 TIP3 11931 4.945 -34.785 24.153 1.00 0.00 WAT +ATOM 42103 H2 TIP3 11931 4.694 -34.837 22.666 1.00 0.00 WAT +ATOM 42104 OH2 TIP3 11932 -2.531 -34.705 25.042 1.00 0.00 WAT +ATOM 42105 H1 TIP3 11932 -2.558 -35.354 25.759 1.00 0.00 WAT +ATOM 42106 H2 TIP3 11932 -1.844 -34.099 25.353 1.00 0.00 WAT +ATOM 42107 OH2 TIP3 11933 8.647 -31.494 21.686 1.00 0.00 WAT +ATOM 42108 H1 TIP3 11933 8.268 -32.190 22.237 1.00 0.00 WAT +ATOM 42109 H2 TIP3 11933 8.924 -30.854 22.356 1.00 0.00 WAT +ATOM 42110 OH2 TIP3 11934 -1.905 -30.018 23.567 1.00 0.00 WAT +ATOM 42111 H1 TIP3 11934 -2.136 -30.931 23.301 1.00 0.00 WAT +ATOM 42112 H2 TIP3 11934 -0.955 -30.120 23.730 1.00 0.00 WAT +ATOM 42113 OH2 TIP3 11935 -4.931 -36.635 18.950 1.00 0.00 WAT +ATOM 42114 H1 TIP3 11935 -5.286 -35.733 19.012 1.00 0.00 WAT +ATOM 42115 H2 TIP3 11935 -5.645 -37.084 18.481 1.00 0.00 WAT +ATOM 42116 OH2 TIP3 11936 -4.107 -34.150 20.791 1.00 0.00 WAT +ATOM 42117 H1 TIP3 11936 -3.936 -34.980 21.274 1.00 0.00 WAT +ATOM 42118 H2 TIP3 11936 -3.279 -34.024 20.308 1.00 0.00 WAT +ATOM 42119 OH2 TIP3 11937 5.703 -26.129 22.231 1.00 0.00 WAT +ATOM 42120 H1 TIP3 11937 6.301 -26.844 21.943 1.00 0.00 WAT +ATOM 42121 H2 TIP3 11937 5.414 -26.441 23.098 1.00 0.00 WAT +ATOM 42122 OH2 TIP3 11938 3.446 -31.724 23.943 1.00 0.00 WAT +ATOM 42123 H1 TIP3 11938 3.780 -32.428 23.360 1.00 0.00 WAT +ATOM 42124 H2 TIP3 11938 4.261 -31.557 24.455 1.00 0.00 WAT +ATOM 42125 OH2 TIP3 11939 12.145 -40.215 24.558 1.00 0.00 WAT +ATOM 42126 H1 TIP3 11939 12.430 -39.636 25.290 1.00 0.00 WAT +ATOM 42127 H2 TIP3 11939 12.760 -39.919 23.861 1.00 0.00 WAT +ATOM 42128 OH2 TIP3 11940 6.706 -37.413 24.455 1.00 0.00 WAT +ATOM 42129 H1 TIP3 11940 6.948 -38.353 24.452 1.00 0.00 WAT +ATOM 42130 H2 TIP3 11940 6.664 -37.223 23.504 1.00 0.00 WAT +ATOM 42131 OH2 TIP3 11941 -0.321 -39.417 21.558 1.00 0.00 WAT +ATOM 42132 H1 TIP3 11941 -0.136 -38.571 21.102 1.00 0.00 WAT +ATOM 42133 H2 TIP3 11941 -0.622 -39.950 20.795 1.00 0.00 WAT +ATOM 42134 OH2 TIP3 11942 7.606 -39.215 19.896 1.00 0.00 WAT +ATOM 42135 H1 TIP3 11942 8.239 -39.633 20.517 1.00 0.00 WAT +ATOM 42136 H2 TIP3 11942 8.215 -38.772 19.286 1.00 0.00 WAT +ATOM 42137 OH2 TIP3 11943 -3.594 -36.655 22.041 1.00 0.00 WAT +ATOM 42138 H1 TIP3 11943 -2.959 -37.135 22.591 1.00 0.00 WAT +ATOM 42139 H2 TIP3 11943 -3.505 -37.117 21.187 1.00 0.00 WAT +ATOM 42140 OH2 TIP3 11944 1.781 -35.252 21.487 1.00 0.00 WAT +ATOM 42141 H1 TIP3 11944 2.495 -35.796 21.871 1.00 0.00 WAT +ATOM 42142 H2 TIP3 11944 1.287 -35.920 20.977 1.00 0.00 WAT +ATOM 42143 OH2 TIP3 11945 12.860 -38.710 26.979 1.00 0.00 WAT +ATOM 42144 H1 TIP3 11945 12.227 -37.999 26.790 1.00 0.00 WAT +ATOM 42145 H2 TIP3 11945 12.765 -38.817 27.932 1.00 0.00 WAT +ATOM 42146 OH2 TIP3 11946 -1.636 -40.453 25.930 1.00 0.00 WAT +ATOM 42147 H1 TIP3 11946 -1.920 -40.062 25.088 1.00 0.00 WAT +ATOM 42148 H2 TIP3 11946 -2.355 -40.195 26.513 1.00 0.00 WAT +ATOM 42149 OH2 TIP3 11947 5.997 -30.833 19.084 1.00 0.00 WAT +ATOM 42150 H1 TIP3 11947 5.713 -31.023 18.186 1.00 0.00 WAT +ATOM 42151 H2 TIP3 11947 5.565 -29.977 19.263 1.00 0.00 WAT +ATOM 42152 OH2 TIP3 11948 1.449 -32.698 25.805 1.00 0.00 WAT +ATOM 42153 H1 TIP3 11948 0.723 -32.088 26.058 1.00 0.00 WAT +ATOM 42154 H2 TIP3 11948 2.078 -32.097 25.365 1.00 0.00 WAT +ATOM 42155 OH2 TIP3 11949 9.446 -40.135 21.909 1.00 0.00 WAT +ATOM 42156 H1 TIP3 11949 8.994 -40.582 22.636 1.00 0.00 WAT +ATOM 42157 H2 TIP3 11949 10.010 -39.505 22.390 1.00 0.00 WAT +ATOM 42158 OH2 TIP3 11950 -1.871 -38.629 23.678 1.00 0.00 WAT +ATOM 42159 H1 TIP3 11950 -1.255 -37.977 24.078 1.00 0.00 WAT +ATOM 42160 H2 TIP3 11950 -1.318 -38.936 22.923 1.00 0.00 WAT +ATOM 42161 OH2 TIP3 11951 -0.573 -30.845 26.544 1.00 0.00 WAT +ATOM 42162 H1 TIP3 11951 -0.574 -29.936 26.192 1.00 0.00 WAT +ATOM 42163 H2 TIP3 11951 -1.443 -30.845 26.988 1.00 0.00 WAT +ATOM 42164 OH2 TIP3 11952 -4.264 -31.124 17.416 1.00 0.00 WAT +ATOM 42165 H1 TIP3 11952 -4.421 -30.625 16.594 1.00 0.00 WAT +ATOM 42166 H2 TIP3 11952 -4.082 -30.413 18.070 1.00 0.00 WAT +ATOM 42167 OH2 TIP3 11953 9.195 -29.675 24.186 1.00 0.00 WAT +ATOM 42168 H1 TIP3 11953 8.227 -29.542 24.202 1.00 0.00 WAT +ATOM 42169 H2 TIP3 11953 9.483 -28.822 23.814 1.00 0.00 WAT +ATOM 42170 OH2 TIP3 11954 9.648 -41.153 25.864 1.00 0.00 WAT +ATOM 42171 H1 TIP3 11954 8.855 -40.759 25.465 1.00 0.00 WAT +ATOM 42172 H2 TIP3 11954 10.321 -40.957 25.186 1.00 0.00 WAT +ATOM 42173 OH2 TIP3 11955 2.772 43.652 23.120 1.00 0.00 WAT +ATOM 42174 H1 TIP3 11955 2.440 42.785 22.877 1.00 0.00 WAT +ATOM 42175 H2 TIP3 11955 1.951 44.153 23.292 1.00 0.00 WAT +ATOM 42176 OH2 TIP3 11956 7.532 -27.753 20.782 1.00 0.00 WAT +ATOM 42177 H1 TIP3 11956 8.016 -28.528 20.436 1.00 0.00 WAT +ATOM 42178 H2 TIP3 11956 8.181 -27.039 20.635 1.00 0.00 WAT +ATOM 42179 OH2 TIP3 11957 8.961 -29.880 19.366 1.00 0.00 WAT +ATOM 42180 H1 TIP3 11957 8.444 -30.332 18.684 1.00 0.00 WAT +ATOM 42181 H2 TIP3 11957 8.896 -30.516 20.105 1.00 0.00 WAT +ATOM 42182 OH2 TIP3 11958 10.502 -31.057 27.860 1.00 0.00 WAT +ATOM 42183 H1 TIP3 11958 10.398 -31.689 27.126 1.00 0.00 WAT +ATOM 42184 H2 TIP3 11958 10.613 -30.213 27.381 1.00 0.00 WAT +ATOM 42185 OH2 TIP3 11959 4.756 -34.165 17.566 1.00 0.00 WAT +ATOM 42186 H1 TIP3 11959 4.098 -33.541 17.203 1.00 0.00 WAT +ATOM 42187 H2 TIP3 11959 5.470 -34.099 16.910 1.00 0.00 WAT +ATOM 42188 OH2 TIP3 11960 5.045 -35.978 14.628 1.00 0.00 WAT +ATOM 42189 H1 TIP3 11960 5.741 -35.647 15.224 1.00 0.00 WAT +ATOM 42190 H2 TIP3 11960 5.569 -36.524 14.025 1.00 0.00 WAT +ATOM 42191 OH2 TIP3 11961 12.235 -34.897 25.819 1.00 0.00 WAT +ATOM 42192 H1 TIP3 11961 11.537 -34.215 25.877 1.00 0.00 WAT +ATOM 42193 H2 TIP3 11961 12.737 -34.581 25.043 1.00 0.00 WAT +ATOM 42194 OH2 TIP3 11962 8.271 -34.150 18.635 1.00 0.00 WAT +ATOM 42195 H1 TIP3 11962 7.592 -33.926 19.310 1.00 0.00 WAT +ATOM 42196 H2 TIP3 11962 8.881 -34.699 19.159 1.00 0.00 WAT +ATOM 42197 OH2 TIP3 11963 8.102 -35.627 27.467 1.00 0.00 WAT +ATOM 42198 H1 TIP3 11963 8.176 -34.822 28.007 1.00 0.00 WAT +ATOM 42199 H2 TIP3 11963 7.481 -35.295 26.795 1.00 0.00 WAT +ATOM 42200 OH2 TIP3 11964 -0.169 -33.390 20.438 1.00 0.00 WAT +ATOM 42201 H1 TIP3 11964 -0.459 -33.789 19.596 1.00 0.00 WAT +ATOM 42202 H2 TIP3 11964 0.523 -34.009 20.730 1.00 0.00 WAT +ATOM 42203 OH2 TIP3 11965 1.191 -30.005 23.166 1.00 0.00 WAT +ATOM 42204 H1 TIP3 11965 1.124 -30.335 22.260 1.00 0.00 WAT +ATOM 42205 H2 TIP3 11965 2.011 -30.434 23.476 1.00 0.00 WAT +ATOM 42206 OH2 TIP3 11966 0.475 -34.597 23.927 1.00 0.00 WAT +ATOM 42207 H1 TIP3 11966 1.011 -34.532 23.111 1.00 0.00 WAT +ATOM 42208 H2 TIP3 11966 0.849 -33.884 24.480 1.00 0.00 WAT +ATOM 42209 OH2 TIP3 11967 6.409 -29.056 24.478 1.00 0.00 WAT +ATOM 42210 H1 TIP3 11967 6.414 -28.369 25.167 1.00 0.00 WAT +ATOM 42211 H2 TIP3 11967 6.178 -29.867 24.964 1.00 0.00 WAT +ATOM 42212 OH2 TIP3 11968 1.279 -30.271 28.749 1.00 0.00 WAT +ATOM 42213 H1 TIP3 11968 0.783 -29.574 29.218 1.00 0.00 WAT +ATOM 42214 H2 TIP3 11968 0.651 -30.498 28.037 1.00 0.00 WAT +ATOM 42215 OH2 TIP3 11969 7.235 -34.721 16.093 1.00 0.00 WAT +ATOM 42216 H1 TIP3 11969 7.701 -34.428 16.905 1.00 0.00 WAT +ATOM 42217 H2 TIP3 11969 7.724 -34.204 15.405 1.00 0.00 WAT +ATOM 42218 OH2 TIP3 11970 -1.793 -33.910 27.883 1.00 0.00 WAT +ATOM 42219 H1 TIP3 11970 -1.697 -33.268 28.613 1.00 0.00 WAT +ATOM 42220 H2 TIP3 11970 -2.763 -33.950 27.802 1.00 0.00 WAT +ATOM 42221 OH2 TIP3 11971 4.698 -28.102 19.664 1.00 0.00 WAT +ATOM 42222 H1 TIP3 11971 5.139 -27.781 20.460 1.00 0.00 WAT +ATOM 42223 H2 TIP3 11971 4.186 -27.330 19.377 1.00 0.00 WAT +ATOM 42224 OH2 TIP3 11972 -0.587 -28.082 29.546 1.00 0.00 WAT +ATOM 42225 H1 TIP3 11972 -0.691 -27.998 28.581 1.00 0.00 WAT +ATOM 42226 H2 TIP3 11972 -1.479 -28.335 29.843 1.00 0.00 WAT +ATOM 42227 OH2 TIP3 11973 10.396 -43.197 15.311 1.00 0.00 WAT +ATOM 42228 H1 TIP3 11973 10.049 -43.248 16.211 1.00 0.00 WAT +ATOM 42229 H2 TIP3 11973 11.204 -42.691 15.477 1.00 0.00 WAT +ATOM 42230 OH2 TIP3 11974 -1.234 -34.630 17.965 1.00 0.00 WAT +ATOM 42231 H1 TIP3 11974 -1.400 -33.860 17.390 1.00 0.00 WAT +ATOM 42232 H2 TIP3 11974 -1.885 -35.262 17.634 1.00 0.00 WAT +ATOM 42233 OH2 TIP3 11975 12.045 -28.823 14.132 1.00 0.00 WAT +ATOM 42234 H1 TIP3 11975 12.203 -27.881 14.340 1.00 0.00 WAT +ATOM 42235 H2 TIP3 11975 12.914 -29.220 14.335 1.00 0.00 WAT +ATOM 42236 OH2 TIP3 11976 -5.150 -31.955 26.671 1.00 0.00 WAT +ATOM 42237 H1 TIP3 11976 -5.600 -31.914 25.802 1.00 0.00 WAT +ATOM 42238 H2 TIP3 11976 -5.019 -32.912 26.789 1.00 0.00 WAT +ATOM 42239 OH2 TIP3 11977 -5.105 -29.062 23.623 1.00 0.00 WAT +ATOM 42240 H1 TIP3 11977 -4.164 -29.291 23.651 1.00 0.00 WAT +ATOM 42241 H2 TIP3 11977 -5.150 -28.393 24.324 1.00 0.00 WAT +ATOM 42242 OH2 TIP3 11978 13.290 -28.420 29.386 1.00 0.00 WAT +ATOM 42243 H1 TIP3 11978 13.178 -29.367 29.185 1.00 0.00 WAT +ATOM 42244 H2 TIP3 11978 12.377 -28.182 29.660 1.00 0.00 WAT +ATOM 42245 OH2 TIP3 11979 3.943 -29.208 28.183 1.00 0.00 WAT +ATOM 42246 H1 TIP3 11979 4.021 -28.376 28.693 1.00 0.00 WAT +ATOM 42247 H2 TIP3 11979 3.034 -29.489 28.404 1.00 0.00 WAT +ATOM 42248 OH2 TIP3 11980 4.287 -25.389 18.181 1.00 0.00 WAT +ATOM 42249 H1 TIP3 11980 4.196 -25.297 17.224 1.00 0.00 WAT +ATOM 42250 H2 TIP3 11980 4.234 -24.474 18.504 1.00 0.00 WAT +ATOM 42251 OH2 TIP3 11981 -1.889 -26.383 19.692 1.00 0.00 WAT +ATOM 42252 H1 TIP3 11981 -1.849 -26.730 20.604 1.00 0.00 WAT +ATOM 42253 H2 TIP3 11981 -2.813 -26.529 19.452 1.00 0.00 WAT +ATOM 42254 OH2 TIP3 11982 7.476 -25.973 15.330 1.00 0.00 WAT +ATOM 42255 H1 TIP3 11982 8.078 -26.584 14.858 1.00 0.00 WAT +ATOM 42256 H2 TIP3 11982 7.488 -26.354 16.231 1.00 0.00 WAT +ATOM 42257 OH2 TIP3 11983 6.914 -26.529 18.123 1.00 0.00 WAT +ATOM 42258 H1 TIP3 11983 5.962 -26.385 18.280 1.00 0.00 WAT +ATOM 42259 H2 TIP3 11983 7.079 -27.250 18.753 1.00 0.00 WAT +ATOM 42260 OH2 TIP3 11984 10.086 -37.092 29.769 1.00 0.00 WAT +ATOM 42261 H1 TIP3 11984 9.580 -36.678 29.057 1.00 0.00 WAT +ATOM 42262 H2 TIP3 11984 10.147 -38.016 29.465 1.00 0.00 WAT +ATOM 42263 OH2 TIP3 11985 -2.969 -30.371 27.900 1.00 0.00 WAT +ATOM 42264 H1 TIP3 11985 -2.713 -30.841 28.717 1.00 0.00 WAT +ATOM 42265 H2 TIP3 11985 -3.705 -30.905 27.550 1.00 0.00 WAT +ATOM 42266 OH2 TIP3 11986 0.232 -42.171 23.929 1.00 0.00 WAT +ATOM 42267 H1 TIP3 11986 -0.568 -42.441 23.452 1.00 0.00 WAT +ATOM 42268 H2 TIP3 11986 0.010 -41.262 24.175 1.00 0.00 WAT +ATOM 42269 OH2 TIP3 11987 4.797 -42.697 27.350 1.00 0.00 WAT +ATOM 42270 H1 TIP3 11987 4.999 -43.117 28.192 1.00 0.00 WAT +ATOM 42271 H2 TIP3 11987 3.836 -42.807 27.314 1.00 0.00 WAT +ATOM 42272 OH2 TIP3 11988 7.762 -38.645 27.804 1.00 0.00 WAT +ATOM 42273 H1 TIP3 11988 7.208 -38.742 28.600 1.00 0.00 WAT +ATOM 42274 H2 TIP3 11988 7.740 -37.686 27.637 1.00 0.00 WAT +ATOM 42275 OH2 TIP3 11989 8.778 -33.639 14.098 1.00 0.00 WAT +ATOM 42276 H1 TIP3 11989 8.575 -33.793 13.156 1.00 0.00 WAT +ATOM 42277 H2 TIP3 11989 9.711 -33.367 14.043 1.00 0.00 WAT +ATOM 42278 OH2 TIP3 11990 4.429 -39.945 14.556 1.00 0.00 WAT +ATOM 42279 H1 TIP3 11990 3.879 -40.039 15.356 1.00 0.00 WAT +ATOM 42280 H2 TIP3 11990 3.927 -40.538 13.954 1.00 0.00 WAT +ATOM 42281 OH2 TIP3 11991 0.090 -37.154 25.059 1.00 0.00 WAT +ATOM 42282 H1 TIP3 11991 -0.435 -36.981 25.853 1.00 0.00 WAT +ATOM 42283 H2 TIP3 11991 0.217 -36.247 24.697 1.00 0.00 WAT +ATOM 42284 OH2 TIP3 11992 0.042 -37.109 19.991 1.00 0.00 WAT +ATOM 42285 H1 TIP3 11992 -0.913 -37.162 19.806 1.00 0.00 WAT +ATOM 42286 H2 TIP3 11992 0.403 -37.259 19.094 1.00 0.00 WAT +ATOM 42287 OH2 TIP3 11993 5.648 -36.524 18.739 1.00 0.00 WAT +ATOM 42288 H1 TIP3 11993 5.245 -35.688 18.414 1.00 0.00 WAT +ATOM 42289 H2 TIP3 11993 6.328 -36.672 18.061 1.00 0.00 WAT +ATOM 42290 OH2 TIP3 11994 4.846 -36.328 30.064 1.00 0.00 WAT +ATOM 42291 H1 TIP3 11994 4.334 -37.059 30.463 1.00 0.00 WAT +ATOM 42292 H2 TIP3 11994 5.712 -36.423 30.507 1.00 0.00 WAT +ATOM 42293 OH2 TIP3 11995 6.485 -37.121 21.533 1.00 0.00 WAT +ATOM 42294 H1 TIP3 11995 6.206 -36.531 20.804 1.00 0.00 WAT +ATOM 42295 H2 TIP3 11995 6.717 -37.916 21.012 1.00 0.00 WAT +ATOM 42296 OH2 TIP3 11996 -2.738 -37.194 27.084 1.00 0.00 WAT +ATOM 42297 H1 TIP3 11996 -2.245 -36.660 27.723 1.00 0.00 WAT +ATOM 42298 H2 TIP3 11996 -2.761 -38.048 27.511 1.00 0.00 WAT +ATOM 42299 OH2 TIP3 11997 0.825 -39.440 13.502 1.00 0.00 WAT +ATOM 42300 H1 TIP3 11997 0.456 -39.805 14.325 1.00 0.00 WAT +ATOM 42301 H2 TIP3 11997 0.036 -39.250 12.977 1.00 0.00 WAT +ATOM 42302 OH2 TIP3 11998 -5.767 -39.597 20.589 1.00 0.00 WAT +ATOM 42303 H1 TIP3 11998 -5.162 -39.578 21.352 1.00 0.00 WAT +ATOM 42304 H2 TIP3 11998 -5.209 -39.900 19.861 1.00 0.00 WAT +ATOM 42305 OH2 TIP3 11999 -4.134 -39.101 16.294 1.00 0.00 WAT +ATOM 42306 H1 TIP3 11999 -3.604 -38.601 15.638 1.00 0.00 WAT +ATOM 42307 H2 TIP3 11999 -4.853 -38.462 16.455 1.00 0.00 WAT +ATOM 42308 OH2 TIP3 12000 5.565 -35.437 25.972 1.00 0.00 WAT +ATOM 42309 H1 TIP3 12000 6.025 -36.158 25.484 1.00 0.00 WAT +ATOM 42310 H2 TIP3 12000 5.304 -35.884 26.786 1.00 0.00 WAT +ATOM 42311 OH2 TIP3 12001 2.821 -39.454 20.959 1.00 0.00 WAT +ATOM 42312 H1 TIP3 12001 1.877 -39.586 21.149 1.00 0.00 WAT +ATOM 42313 H2 TIP3 12001 3.225 -39.658 21.815 1.00 0.00 WAT +ATOM 42314 OH2 TIP3 12002 -2.663 -38.285 19.709 1.00 0.00 WAT +ATOM 42315 H1 TIP3 12002 -3.441 -37.974 19.210 1.00 0.00 WAT +ATOM 42316 H2 TIP3 12002 -2.367 -39.069 19.209 1.00 0.00 WAT +ATOM 42317 OH2 TIP3 12003 1.000 -37.889 17.383 1.00 0.00 WAT +ATOM 42318 H1 TIP3 12003 1.971 -37.828 17.387 1.00 0.00 WAT +ATOM 42319 H2 TIP3 12003 0.740 -37.338 16.623 1.00 0.00 WAT +ATOM 42320 OH2 TIP3 12004 7.156 -40.365 24.028 1.00 0.00 WAT +ATOM 42321 H1 TIP3 12004 6.513 -40.333 24.767 1.00 0.00 WAT +ATOM 42322 H2 TIP3 12004 6.559 -40.625 23.304 1.00 0.00 WAT +ATOM 42323 OH2 TIP3 12005 -0.514 -36.743 15.130 1.00 0.00 WAT +ATOM 42324 H1 TIP3 12005 -1.108 -36.947 14.391 1.00 0.00 WAT +ATOM 42325 H2 TIP3 12005 0.286 -36.476 14.643 1.00 0.00 WAT +ATOM 42326 OH2 TIP3 12006 10.207 -24.584 30.674 1.00 0.00 WAT +ATOM 42327 H1 TIP3 12006 10.412 -24.111 29.849 1.00 0.00 WAT +ATOM 42328 H2 TIP3 12006 10.894 -24.249 31.272 1.00 0.00 WAT +ATOM 42329 OH2 TIP3 12007 -1.896 -31.973 30.083 1.00 0.00 WAT +ATOM 42330 H1 TIP3 12007 -1.209 -31.867 30.774 1.00 0.00 WAT +ATOM 42331 H2 TIP3 12007 -2.692 -31.909 30.645 1.00 0.00 WAT +ATOM 42332 OH2 TIP3 12008 3.807 -36.967 22.812 1.00 0.00 WAT +ATOM 42333 H1 TIP3 12008 4.571 -37.341 22.346 1.00 0.00 WAT +ATOM 42334 H2 TIP3 12008 3.704 -37.580 23.562 1.00 0.00 WAT +ATOM 42335 OH2 TIP3 12009 -1.041 -40.654 19.075 1.00 0.00 WAT +ATOM 42336 H1 TIP3 12009 -1.489 -41.512 19.170 1.00 0.00 WAT +ATOM 42337 H2 TIP3 12009 -0.218 -40.899 18.628 1.00 0.00 WAT +ATOM 42338 OH2 TIP3 12010 2.768 -38.529 25.108 1.00 0.00 WAT +ATOM 42339 H1 TIP3 12010 2.053 -37.875 25.052 1.00 0.00 WAT +ATOM 42340 H2 TIP3 12010 3.280 -38.228 25.886 1.00 0.00 WAT +ATOM 42341 OH2 TIP3 12011 2.943 -32.102 16.969 1.00 0.00 WAT +ATOM 42342 H1 TIP3 12011 2.177 -32.599 16.608 1.00 0.00 WAT +ATOM 42343 H2 TIP3 12011 2.736 -32.057 17.930 1.00 0.00 WAT +ATOM 42344 OH2 TIP3 12012 10.155 -32.937 25.703 1.00 0.00 WAT +ATOM 42345 H1 TIP3 12012 10.661 -32.393 25.061 1.00 0.00 WAT +ATOM 42346 H2 TIP3 12012 9.304 -33.040 25.234 1.00 0.00 WAT +ATOM 42347 OH2 TIP3 12013 7.104 -39.327 14.600 1.00 0.00 WAT +ATOM 42348 H1 TIP3 12013 6.120 -39.379 14.607 1.00 0.00 WAT +ATOM 42349 H2 TIP3 12013 7.289 -38.619 15.249 1.00 0.00 WAT +ATOM 42350 OH2 TIP3 12014 4.539 -32.106 28.290 1.00 0.00 WAT +ATOM 42351 H1 TIP3 12014 4.284 -32.379 29.181 1.00 0.00 WAT +ATOM 42352 H2 TIP3 12014 4.285 -31.169 28.277 1.00 0.00 WAT +ATOM 42353 OH2 TIP3 12015 7.752 -37.490 16.738 1.00 0.00 WAT +ATOM 42354 H1 TIP3 12015 8.626 -37.620 17.158 1.00 0.00 WAT +ATOM 42355 H2 TIP3 12015 7.842 -36.598 16.354 1.00 0.00 WAT +ATOM 42356 OH2 TIP3 12016 -1.926 -32.745 22.808 1.00 0.00 WAT +ATOM 42357 H1 TIP3 12016 -1.395 -32.791 21.994 1.00 0.00 WAT +ATOM 42358 H2 TIP3 12016 -1.779 -33.623 23.190 1.00 0.00 WAT +ATOM 42359 OH2 TIP3 12017 5.330 -30.734 15.905 1.00 0.00 WAT +ATOM 42360 H1 TIP3 12017 5.073 -29.868 16.280 1.00 0.00 WAT +ATOM 42361 H2 TIP3 12017 4.569 -31.284 16.168 1.00 0.00 WAT +ATOM 42362 OH2 TIP3 12018 -4.635 -34.460 28.042 1.00 0.00 WAT +ATOM 42363 H1 TIP3 12018 -4.508 -34.877 28.917 1.00 0.00 WAT +ATOM 42364 H2 TIP3 12018 -5.343 -34.978 27.631 1.00 0.00 WAT +ATOM 42365 OH2 TIP3 12019 2.295 -34.960 30.024 1.00 0.00 WAT +ATOM 42366 H1 TIP3 12019 2.011 -35.141 29.113 1.00 0.00 WAT +ATOM 42367 H2 TIP3 12019 3.240 -35.190 29.962 1.00 0.00 WAT +ATOM 42368 OH2 TIP3 12020 6.833 -29.542 27.770 1.00 0.00 WAT +ATOM 42369 H1 TIP3 12020 5.872 -29.408 27.699 1.00 0.00 WAT +ATOM 42370 H2 TIP3 12020 7.008 -29.240 28.676 1.00 0.00 WAT +ATOM 42371 OH2 TIP3 12021 12.355 -37.449 16.543 1.00 0.00 WAT +ATOM 42372 H1 TIP3 12021 11.811 -37.651 15.756 1.00 0.00 WAT +ATOM 42373 H2 TIP3 12021 12.482 -36.490 16.390 1.00 0.00 WAT +ATOM 42374 OH2 TIP3 12022 12.830 -31.393 29.332 1.00 0.00 WAT +ATOM 42375 H1 TIP3 12022 11.891 -31.191 29.136 1.00 0.00 WAT +ATOM 42376 H2 TIP3 12022 13.159 -31.600 28.434 1.00 0.00 WAT +ATOM 42377 OH2 TIP3 12023 10.548 -28.838 16.616 1.00 0.00 WAT +ATOM 42378 H1 TIP3 12023 10.360 -29.613 17.164 1.00 0.00 WAT +ATOM 42379 H2 TIP3 12023 11.107 -29.194 15.911 1.00 0.00 WAT +ATOM 42380 OH2 TIP3 12024 7.815 -33.512 24.024 1.00 0.00 WAT +ATOM 42381 H1 TIP3 12024 6.885 -33.645 23.761 1.00 0.00 WAT +ATOM 42382 H2 TIP3 12024 8.256 -34.218 23.512 1.00 0.00 WAT +ATOM 42383 OH2 TIP3 12025 0.443 -29.414 20.046 1.00 0.00 WAT +ATOM 42384 H1 TIP3 12025 0.863 -28.546 19.917 1.00 0.00 WAT +ATOM 42385 H2 TIP3 12025 -0.474 -29.208 19.822 1.00 0.00 WAT +ATOM 42386 OH2 TIP3 12026 -3.544 -34.638 14.684 1.00 0.00 WAT +ATOM 42387 H1 TIP3 12026 -2.974 -33.936 15.048 1.00 0.00 WAT +ATOM 42388 H2 TIP3 12026 -4.426 -34.322 14.955 1.00 0.00 WAT +ATOM 42389 OH2 TIP3 12027 2.276 -31.736 19.672 1.00 0.00 WAT +ATOM 42390 H1 TIP3 12027 2.003 -30.813 19.801 1.00 0.00 WAT +ATOM 42391 H2 TIP3 12027 1.551 -32.209 20.103 1.00 0.00 WAT +ATOM 42392 OH2 TIP3 12028 2.450 -27.483 26.025 1.00 0.00 WAT +ATOM 42393 H1 TIP3 12028 2.975 -26.722 25.725 1.00 0.00 WAT +ATOM 42394 H2 TIP3 12028 3.090 -27.940 26.592 1.00 0.00 WAT +ATOM 42395 OH2 TIP3 12029 0.903 -26.550 19.275 1.00 0.00 WAT +ATOM 42396 H1 TIP3 12029 -0.060 -26.394 19.340 1.00 0.00 WAT +ATOM 42397 H2 TIP3 12029 1.249 -25.658 19.489 1.00 0.00 WAT +ATOM 42398 OH2 TIP3 12030 5.850 -31.729 25.581 1.00 0.00 WAT +ATOM 42399 H1 TIP3 12030 5.580 -31.990 26.478 1.00 0.00 WAT +ATOM 42400 H2 TIP3 12030 6.601 -32.322 25.415 1.00 0.00 WAT +ATOM 42401 OH2 TIP3 12031 8.031 -30.418 14.507 1.00 0.00 WAT +ATOM 42402 H1 TIP3 12031 8.447 -30.865 15.266 1.00 0.00 WAT +ATOM 42403 H2 TIP3 12031 7.099 -30.550 14.748 1.00 0.00 WAT +ATOM 42404 OH2 TIP3 12032 8.803 -27.153 27.970 1.00 0.00 WAT +ATOM 42405 H1 TIP3 12032 8.040 -27.589 27.546 1.00 0.00 WAT +ATOM 42406 H2 TIP3 12032 8.905 -26.348 27.429 1.00 0.00 WAT +ATOM 42407 OH2 TIP3 12033 12.788 -26.120 14.997 1.00 0.00 WAT +ATOM 42408 H1 TIP3 12033 13.490 -25.468 14.827 1.00 0.00 WAT +ATOM 42409 H2 TIP3 12033 12.018 -25.522 15.016 1.00 0.00 WAT +ATOM 42410 OH2 TIP3 12034 8.988 -31.801 16.899 1.00 0.00 WAT +ATOM 42411 H1 TIP3 12034 8.727 -32.528 17.489 1.00 0.00 WAT +ATOM 42412 H2 TIP3 12034 9.958 -31.822 16.975 1.00 0.00 WAT +ATOM 42413 OH2 TIP3 12035 -3.626 -27.966 25.969 1.00 0.00 WAT +ATOM 42414 H1 TIP3 12035 -3.259 -28.847 26.118 1.00 0.00 WAT +ATOM 42415 H2 TIP3 12035 -3.355 -27.507 26.773 1.00 0.00 WAT +ATOM 42416 OH2 TIP3 12036 2.272 -29.358 13.101 1.00 0.00 WAT +ATOM 42417 H1 TIP3 12036 2.547 -30.138 12.586 1.00 0.00 WAT +ATOM 42418 H2 TIP3 12036 1.840 -29.774 13.867 1.00 0.00 WAT +ATOM 42419 OH2 TIP3 12037 1.136 -29.869 15.777 1.00 0.00 WAT +ATOM 42420 H1 TIP3 12037 1.623 -30.378 16.439 1.00 0.00 WAT +ATOM 42421 H2 TIP3 12037 1.239 -28.950 16.106 1.00 0.00 WAT +ATOM 42422 OH2 TIP3 12038 -2.038 -32.412 16.215 1.00 0.00 WAT +ATOM 42423 H1 TIP3 12038 -2.782 -32.018 16.713 1.00 0.00 WAT +ATOM 42424 H2 TIP3 12038 -1.594 -31.609 15.892 1.00 0.00 WAT +ATOM 42425 OH2 TIP3 12039 5.570 -40.087 26.289 1.00 0.00 WAT +ATOM 42426 H1 TIP3 12039 6.188 -39.783 26.972 1.00 0.00 WAT +ATOM 42427 H2 TIP3 12039 5.209 -40.910 26.661 1.00 0.00 WAT +ATOM 42428 OH2 TIP3 12040 6.334 -40.567 17.453 1.00 0.00 WAT +ATOM 42429 H1 TIP3 12040 6.410 -39.990 16.677 1.00 0.00 WAT +ATOM 42430 H2 TIP3 12040 6.715 -40.007 18.150 1.00 0.00 WAT +ATOM 42431 OH2 TIP3 12041 4.076 -28.203 16.454 1.00 0.00 WAT +ATOM 42432 H1 TIP3 12041 3.221 -27.763 16.595 1.00 0.00 WAT +ATOM 42433 H2 TIP3 12041 4.374 -27.816 15.617 1.00 0.00 WAT +ATOM 42434 OH2 TIP3 12042 3.703 -38.541 18.445 1.00 0.00 WAT +ATOM 42435 H1 TIP3 12042 4.425 -37.887 18.562 1.00 0.00 WAT +ATOM 42436 H2 TIP3 12042 3.396 -38.662 19.366 1.00 0.00 WAT +ATOM 42437 OH2 TIP3 12043 3.980 -37.634 27.593 1.00 0.00 WAT +ATOM 42438 H1 TIP3 12043 4.093 -37.089 28.392 1.00 0.00 WAT +ATOM 42439 H2 TIP3 12043 4.604 -38.352 27.754 1.00 0.00 WAT +ATOM 42440 OH2 TIP3 12044 4.440 -41.716 19.493 1.00 0.00 WAT +ATOM 42441 H1 TIP3 12044 4.034 -40.942 19.922 1.00 0.00 WAT +ATOM 42442 H2 TIP3 12044 4.962 -41.292 18.786 1.00 0.00 WAT +ATOM 42443 OH2 TIP3 12045 1.270 -27.197 16.454 1.00 0.00 WAT +ATOM 42444 H1 TIP3 12045 1.154 -26.383 15.919 1.00 0.00 WAT +ATOM 42445 H2 TIP3 12045 1.080 -26.861 17.351 1.00 0.00 WAT +ATOM 42446 OH2 TIP3 12046 -0.057 -40.516 15.972 1.00 0.00 WAT +ATOM 42447 H1 TIP3 12046 -0.021 -39.672 16.455 1.00 0.00 WAT +ATOM 42448 H2 TIP3 12046 0.836 -40.862 16.168 1.00 0.00 WAT +ATOM 42449 OH2 TIP3 12047 10.370 -39.651 28.417 1.00 0.00 WAT +ATOM 42450 H1 TIP3 12047 9.414 -39.535 28.266 1.00 0.00 WAT +ATOM 42451 H2 TIP3 12047 10.658 -39.796 27.504 1.00 0.00 WAT +ATOM 42452 OH2 TIP3 12048 8.818 -35.754 22.501 1.00 0.00 WAT +ATOM 42453 H1 TIP3 12048 8.007 -36.208 22.209 1.00 0.00 WAT +ATOM 42454 H2 TIP3 12048 9.314 -36.473 22.949 1.00 0.00 WAT +ATOM 42455 OH2 TIP3 12049 -1.626 -29.634 14.963 1.00 0.00 WAT +ATOM 42456 H1 TIP3 12049 -0.918 -29.093 15.350 1.00 0.00 WAT +ATOM 42457 H2 TIP3 12049 -1.116 -30.102 14.282 1.00 0.00 WAT +ATOM 42458 OH2 TIP3 12050 -3.497 -37.457 14.092 1.00 0.00 WAT +ATOM 42459 H1 TIP3 12050 -3.353 -36.513 14.298 1.00 0.00 WAT +ATOM 42460 H2 TIP3 12050 -4.335 -37.425 13.612 1.00 0.00 WAT +ATOM 42461 OH2 TIP3 12051 9.843 -26.894 23.878 1.00 0.00 WAT +ATOM 42462 H1 TIP3 12051 9.653 -26.085 23.363 1.00 0.00 WAT +ATOM 42463 H2 TIP3 12051 10.771 -26.733 24.111 1.00 0.00 WAT +ATOM 42464 OH2 TIP3 12052 -3.337 -42.391 23.012 1.00 0.00 WAT +ATOM 42465 H1 TIP3 12052 -2.941 -42.457 22.132 1.00 0.00 WAT +ATOM 42466 H2 TIP3 12052 -3.151 -43.283 23.340 1.00 0.00 WAT +ATOM 42467 OH2 TIP3 12053 -3.722 -28.957 19.118 1.00 0.00 WAT +ATOM 42468 H1 TIP3 12053 -4.436 -28.369 19.396 1.00 0.00 WAT +ATOM 42469 H2 TIP3 12053 -3.234 -28.382 18.509 1.00 0.00 WAT +ATOM 42470 OH2 TIP3 12054 -4.248 -25.988 30.287 1.00 0.00 WAT +ATOM 42471 H1 TIP3 12054 -3.684 -26.266 31.034 1.00 0.00 WAT +ATOM 42472 H2 TIP3 12054 -4.648 -26.834 30.005 1.00 0.00 WAT +ATOM 42473 OH2 TIP3 12055 0.391 -26.951 32.085 1.00 0.00 WAT +ATOM 42474 H1 TIP3 12055 1.125 -27.554 32.277 1.00 0.00 WAT +ATOM 42475 H2 TIP3 12055 0.208 -27.176 31.157 1.00 0.00 WAT +ATOM 42476 OH2 TIP3 12056 4.486 -27.681 13.664 1.00 0.00 WAT +ATOM 42477 H1 TIP3 12056 3.725 -28.276 13.480 1.00 0.00 WAT +ATOM 42478 H2 TIP3 12056 5.191 -28.171 13.209 1.00 0.00 WAT +ATOM 42479 OH2 TIP3 12057 6.918 -28.654 30.638 1.00 0.00 WAT +ATOM 42480 H1 TIP3 12057 6.529 -29.462 31.018 1.00 0.00 WAT +ATOM 42481 H2 TIP3 12057 7.599 -28.422 31.294 1.00 0.00 WAT +ATOM 42482 OH2 TIP3 12058 9.115 -27.738 13.713 1.00 0.00 WAT +ATOM 42483 H1 TIP3 12058 9.274 -28.562 14.203 1.00 0.00 WAT +ATOM 42484 H2 TIP3 12058 9.887 -27.698 13.122 1.00 0.00 WAT +ATOM 42485 OH2 TIP3 12059 -4.310 -32.340 31.420 1.00 0.00 WAT +ATOM 42486 H1 TIP3 12059 -4.184 -33.228 31.053 1.00 0.00 WAT +ATOM 42487 H2 TIP3 12059 -5.073 -32.031 30.894 1.00 0.00 WAT +ATOM 42488 OH2 TIP3 12060 -0.090 -31.930 13.420 1.00 0.00 WAT +ATOM 42489 H1 TIP3 12060 0.090 -32.518 14.171 1.00 0.00 WAT +ATOM 42490 H2 TIP3 12060 0.767 -31.955 12.954 1.00 0.00 WAT +ATOM 42491 OH2 TIP3 12061 2.321 -32.164 30.749 1.00 0.00 WAT +ATOM 42492 H1 TIP3 12061 2.025 -31.810 29.893 1.00 0.00 WAT +ATOM 42493 H2 TIP3 12061 2.386 -33.125 30.581 1.00 0.00 WAT +ATOM 42494 OH2 TIP3 12062 5.154 -30.608 13.035 1.00 0.00 WAT +ATOM 42495 H1 TIP3 12062 5.101 -30.649 14.004 1.00 0.00 WAT +ATOM 42496 H2 TIP3 12062 5.103 -31.562 12.818 1.00 0.00 WAT +ATOM 42497 OH2 TIP3 12063 7.695 -32.533 28.132 1.00 0.00 WAT +ATOM 42498 H1 TIP3 12063 8.485 -32.008 27.932 1.00 0.00 WAT +ATOM 42499 H2 TIP3 12063 7.012 -31.843 28.117 1.00 0.00 WAT +ATOM 42500 OH2 TIP3 12064 -3.411 -35.256 30.573 1.00 0.00 WAT +ATOM 42501 H1 TIP3 12064 -2.631 -35.835 30.632 1.00 0.00 WAT +ATOM 42502 H2 TIP3 12064 -3.491 -34.979 31.501 1.00 0.00 WAT +ATOM 42503 OH2 TIP3 12065 1.009 -33.855 15.766 1.00 0.00 WAT +ATOM 42504 H1 TIP3 12065 0.391 -34.369 16.304 1.00 0.00 WAT +ATOM 42505 H2 TIP3 12065 1.309 -34.525 15.118 1.00 0.00 WAT +ATOM 42506 OH2 TIP3 12066 0.125 -36.114 27.924 1.00 0.00 WAT +ATOM 42507 H1 TIP3 12066 -0.334 -35.297 28.203 1.00 0.00 WAT +ATOM 42508 H2 TIP3 12066 0.855 -35.745 27.392 1.00 0.00 WAT +ATOM 42509 OH2 TIP3 12067 1.941 -35.839 14.015 1.00 0.00 WAT +ATOM 42510 H1 TIP3 12067 1.899 -35.745 13.044 1.00 0.00 WAT +ATOM 42511 H2 TIP3 12067 2.904 -35.866 14.163 1.00 0.00 WAT +ATOM 42512 OH2 TIP3 12068 5.511 -33.386 31.557 1.00 0.00 WAT +ATOM 42513 H1 TIP3 12068 6.418 -33.555 31.261 1.00 0.00 WAT +ATOM 42514 H2 TIP3 12068 5.288 -34.222 31.990 1.00 0.00 WAT +ATOM 42515 OH2 TIP3 12069 11.468 -33.322 13.342 1.00 0.00 WAT +ATOM 42516 H1 TIP3 12069 11.366 -33.738 12.474 1.00 0.00 WAT +ATOM 42517 H2 TIP3 12069 11.358 -32.375 13.106 1.00 0.00 WAT +ATOM 42518 OH2 TIP3 12070 0.679 -38.824 29.104 1.00 0.00 WAT +ATOM 42519 H1 TIP3 12070 0.904 -39.447 28.392 1.00 0.00 WAT +ATOM 42520 H2 TIP3 12070 0.622 -37.982 28.620 1.00 0.00 WAT +ATOM 42521 OH2 TIP3 12071 1.176 -40.355 26.550 1.00 0.00 WAT +ATOM 42522 H1 TIP3 12071 1.722 -39.811 25.941 1.00 0.00 WAT +ATOM 42523 H2 TIP3 12071 0.273 -40.225 26.202 1.00 0.00 WAT +ATOM 42524 OH2 TIP3 12072 2.670 -34.890 27.009 1.00 0.00 WAT +ATOM 42525 H1 TIP3 12072 3.518 -34.960 26.542 1.00 0.00 WAT +ATOM 42526 H2 TIP3 12072 2.369 -34.010 26.701 1.00 0.00 WAT +ATOM 42527 OH2 TIP3 12073 7.255 -36.933 31.762 1.00 0.00 WAT +ATOM 42528 H1 TIP3 12073 7.472 -37.857 31.966 1.00 0.00 WAT +ATOM 42529 H2 TIP3 12073 8.137 -36.530 31.728 1.00 0.00 WAT +ATOM 42530 OH2 TIP3 12074 8.240 -34.157 30.262 1.00 0.00 WAT +ATOM 42531 H1 TIP3 12074 7.895 -33.534 29.588 1.00 0.00 WAT +ATOM 42532 H2 TIP3 12074 9.149 -34.281 29.919 1.00 0.00 WAT +ATOM 42533 OH2 TIP3 12075 -1.042 -37.040 30.961 1.00 0.00 WAT +ATOM 42534 H1 TIP3 12075 -1.641 -37.800 30.861 1.00 0.00 WAT +ATOM 42535 H2 TIP3 12075 -0.249 -37.344 30.492 1.00 0.00 WAT +ATOM 42536 OH2 TIP3 12076 1.674 -42.764 27.741 1.00 0.00 WAT +ATOM 42537 H1 TIP3 12076 1.781 -41.850 27.407 1.00 0.00 WAT +ATOM 42538 H2 TIP3 12076 0.756 -42.916 27.484 1.00 0.00 WAT +ATOM 42539 OH2 TIP3 12077 3.145 -38.443 30.718 1.00 0.00 WAT +ATOM 42540 H1 TIP3 12077 2.869 -38.716 31.611 1.00 0.00 WAT +ATOM 42541 H2 TIP3 12077 2.330 -38.653 30.227 1.00 0.00 WAT +ATOM 42542 OH2 TIP3 12078 5.724 -39.473 29.686 1.00 0.00 WAT +ATOM 42543 H1 TIP3 12078 4.845 -39.306 30.073 1.00 0.00 WAT +ATOM 42544 H2 TIP3 12078 6.106 -40.096 30.330 1.00 0.00 WAT +ATOM 42545 OH2 TIP3 12079 7.446 -41.384 31.371 1.00 0.00 WAT +ATOM 42546 H1 TIP3 12079 7.316 -42.246 31.784 1.00 0.00 WAT +ATOM 42547 H2 TIP3 12079 7.326 -40.773 32.117 1.00 0.00 WAT +ATOM 42548 OH2 TIP3 12080 -2.708 -39.329 30.449 1.00 0.00 WAT +ATOM 42549 H1 TIP3 12080 -2.704 -40.206 30.026 1.00 0.00 WAT +ATOM 42550 H2 TIP3 12080 -2.963 -39.561 31.356 1.00 0.00 WAT +ATOM 42551 OH2 TIP3 12081 2.781 -41.455 31.808 1.00 0.00 WAT +ATOM 42552 H1 TIP3 12081 2.555 -42.287 31.353 1.00 0.00 WAT +ATOM 42553 H2 TIP3 12081 1.923 -41.005 31.892 1.00 0.00 WAT +ATOM 42554 OH2 TIP3 12082 1.698 -24.666 15.294 1.00 0.00 WAT +ATOM 42555 H1 TIP3 12082 2.645 -24.666 15.131 1.00 0.00 WAT +ATOM 42556 H2 TIP3 12082 1.353 -24.241 14.496 1.00 0.00 WAT +ATOM 42557 OH2 TIP3 12083 -4.373 -30.231 14.689 1.00 0.00 WAT +ATOM 42558 H1 TIP3 12083 -3.423 -30.002 14.780 1.00 0.00 WAT +ATOM 42559 H2 TIP3 12083 -4.343 -30.973 14.054 1.00 0.00 WAT +ATOM 42560 OH2 TIP3 12084 -5.256 -25.019 19.371 1.00 0.00 WAT +ATOM 42561 H1 TIP3 12084 -6.015 -25.340 18.854 1.00 0.00 WAT +ATOM 42562 H2 TIP3 12084 -5.208 -25.672 20.095 1.00 0.00 WAT +ATOM 42563 OH2 TIP3 12085 -4.930 -26.957 21.397 1.00 0.00 WAT +ATOM 42564 H1 TIP3 12085 -5.191 -27.807 21.783 1.00 0.00 WAT +ATOM 42565 H2 TIP3 12085 -4.648 -26.485 22.200 1.00 0.00 WAT +ATOM 42566 OH2 TIP3 12086 12.556 -25.732 24.378 1.00 0.00 WAT +ATOM 42567 H1 TIP3 12086 12.723 -25.743 25.332 1.00 0.00 WAT +ATOM 42568 H2 TIP3 12086 13.404 -25.419 24.035 1.00 0.00 WAT +ATOM 42569 OH2 TIP3 12087 12.461 -26.278 27.253 1.00 0.00 WAT +ATOM 42570 H1 TIP3 12087 11.941 -27.019 26.891 1.00 0.00 WAT +ATOM 42571 H2 TIP3 12087 13.013 -26.752 27.893 1.00 0.00 WAT +ATOM 42572 OH2 TIP3 12088 10.453 -30.862 31.558 1.00 0.00 WAT +ATOM 42573 H1 TIP3 12088 9.564 -30.765 31.941 1.00 0.00 WAT +ATOM 42574 H2 TIP3 12088 10.901 -30.048 31.842 1.00 0.00 WAT +ATOM 42575 OH2 TIP3 12089 11.852 -31.948 17.279 1.00 0.00 WAT +ATOM 42576 H1 TIP3 12089 12.758 -31.617 17.432 1.00 0.00 WAT +ATOM 42577 H2 TIP3 12089 11.776 -32.580 18.015 1.00 0.00 WAT +ATOM 42578 OH2 TIP3 12090 12.359 -33.990 19.291 1.00 0.00 WAT +ATOM 42579 H1 TIP3 12090 11.664 -34.546 19.694 1.00 0.00 WAT +ATOM 42580 H2 TIP3 12090 13.020 -33.909 20.002 1.00 0.00 WAT +ATOM 42581 OH2 TIP3 12091 12.027 -31.491 24.235 1.00 0.00 WAT +ATOM 42582 H1 TIP3 12091 12.651 -31.991 23.684 1.00 0.00 WAT +ATOM 42583 H2 TIP3 12091 12.169 -30.581 23.924 1.00 0.00 WAT +ATOM 42584 OH2 TIP3 12092 10.754 -28.581 26.482 1.00 0.00 WAT +ATOM 42585 H1 TIP3 12092 10.020 -28.162 26.966 1.00 0.00 WAT +ATOM 42586 H2 TIP3 12092 10.301 -28.928 25.688 1.00 0.00 WAT +ATOM 42587 OH2 TIP3 12093 12.554 -34.551 15.838 1.00 0.00 WAT +ATOM 42588 H1 TIP3 12093 12.058 -34.257 15.050 1.00 0.00 WAT +ATOM 42589 H2 TIP3 12093 12.443 -33.785 16.422 1.00 0.00 WAT +ATOM 42590 OH2 TIP3 12094 10.833 -36.987 14.088 1.00 0.00 WAT +ATOM 42591 H1 TIP3 12094 11.107 -36.380 13.386 1.00 0.00 WAT +ATOM 42592 H2 TIP3 12094 10.593 -37.790 13.592 1.00 0.00 WAT +ATOM 42593 OH2 TIP3 12095 10.239 -35.829 20.063 1.00 0.00 WAT +ATOM 42594 H1 TIP3 12095 10.183 -36.782 19.882 1.00 0.00 WAT +ATOM 42595 H2 TIP3 12095 9.872 -35.758 20.966 1.00 0.00 WAT +ATOM 42596 OH2 TIP3 12096 -4.901 -33.697 23.762 1.00 0.00 WAT +ATOM 42597 H1 TIP3 12096 -4.671 -33.582 22.824 1.00 0.00 WAT +ATOM 42598 H2 TIP3 12096 -4.013 -33.851 24.141 1.00 0.00 WAT +ATOM 42599 OH2 TIP3 12097 10.860 -33.937 29.261 1.00 0.00 WAT +ATOM 42600 H1 TIP3 12097 11.623 -34.535 29.360 1.00 0.00 WAT +ATOM 42601 H2 TIP3 12097 11.284 -33.107 29.003 1.00 0.00 WAT +ATOM 42602 OH2 TIP3 12098 12.423 -35.887 30.480 1.00 0.00 WAT +ATOM 42603 H1 TIP3 12098 11.625 -36.384 30.205 1.00 0.00 WAT +ATOM 42604 H2 TIP3 12098 13.121 -36.558 30.370 1.00 0.00 WAT +ATOM 42605 OH2 TIP3 12099 10.252 -39.685 13.258 1.00 0.00 WAT +ATOM 42606 H1 TIP3 12099 10.859 -40.119 13.885 1.00 0.00 WAT +ATOM 42607 H2 TIP3 12099 9.439 -40.196 13.357 1.00 0.00 WAT +ATOM 42608 OH2 TIP3 12100 10.077 -38.270 18.275 1.00 0.00 WAT +ATOM 42609 H1 TIP3 12100 10.252 -39.240 18.321 1.00 0.00 WAT +ATOM 42610 H2 TIP3 12100 10.893 -37.968 17.837 1.00 0.00 WAT +ATOM 42611 OH2 TIP3 12101 10.345 -37.775 23.661 1.00 0.00 WAT +ATOM 42612 H1 TIP3 12101 11.317 -37.649 23.597 1.00 0.00 WAT +ATOM 42613 H2 TIP3 12101 10.238 -37.739 24.626 1.00 0.00 WAT +ATOM 42614 OH2 TIP3 12102 10.487 -37.055 26.525 1.00 0.00 WAT +ATOM 42615 H1 TIP3 12102 9.651 -36.616 26.769 1.00 0.00 WAT +ATOM 42616 H2 TIP3 12102 11.050 -36.291 26.290 1.00 0.00 WAT +ATOM 42617 OH2 TIP3 12103 12.680 -42.766 32.303 1.00 0.00 WAT +ATOM 42618 H1 TIP3 12103 13.102 -43.595 32.058 1.00 0.00 WAT +ATOM 42619 H2 TIP3 12103 12.661 -42.201 31.496 1.00 0.00 WAT +ATOM 42620 OH2 TIP3 12104 10.372 -40.984 18.349 1.00 0.00 WAT +ATOM 42621 H1 TIP3 12104 10.665 -41.492 19.121 1.00 0.00 WAT +ATOM 42622 H2 TIP3 12104 9.766 -41.617 17.921 1.00 0.00 WAT +ATOM 42623 OH2 TIP3 12105 -4.342 -39.902 23.064 1.00 0.00 WAT +ATOM 42624 H1 TIP3 12105 -4.023 -40.834 23.081 1.00 0.00 WAT +ATOM 42625 H2 TIP3 12105 -3.530 -39.420 23.308 1.00 0.00 WAT +ATOM 42626 OH2 TIP3 12106 -5.608 -37.334 24.179 1.00 0.00 WAT +ATOM 42627 H1 TIP3 12106 -5.112 -37.402 23.346 1.00 0.00 WAT +ATOM 42628 H2 TIP3 12106 -5.318 -36.463 24.484 1.00 0.00 WAT +ATOM 42629 OH2 TIP3 12107 12.417 -41.134 30.148 1.00 0.00 WAT +ATOM 42630 H1 TIP3 12107 11.577 -40.641 30.211 1.00 0.00 WAT +ATOM 42631 H2 TIP3 12107 12.367 -41.423 29.222 1.00 0.00 WAT +ATOM 42632 OH2 TIP3 12108 12.501 -40.566 14.923 1.00 0.00 WAT +ATOM 42633 H1 TIP3 12108 12.700 -41.427 14.501 1.00 0.00 WAT +ATOM 42634 H2 TIP3 12108 13.371 -40.145 14.984 1.00 0.00 WAT +ATOM 42635 OH2 TIP3 12109 -5.150 -41.011 18.066 1.00 0.00 WAT +ATOM 42636 H1 TIP3 12109 -6.097 -40.934 17.859 1.00 0.00 WAT +ATOM 42637 H2 TIP3 12109 -4.752 -40.331 17.481 1.00 0.00 WAT +ATOM 42638 OH2 TIP3 12110 9.434 -25.682 20.176 1.00 0.00 WAT +ATOM 42639 H1 TIP3 12110 9.912 -25.925 19.365 1.00 0.00 WAT +ATOM 42640 H2 TIP3 12110 10.137 -25.301 20.716 1.00 0.00 WAT +ATOM 42641 OH2 TIP3 12111 -5.322 -41.206 26.672 1.00 0.00 WAT +ATOM 42642 H1 TIP3 12111 -5.218 -42.162 26.890 1.00 0.00 WAT +ATOM 42643 H2 TIP3 12111 -5.523 -41.283 25.722 1.00 0.00 WAT +ATOM 42644 OH2 TIP3 12112 -3.167 -29.065 30.906 1.00 0.00 WAT +ATOM 42645 H1 TIP3 12112 -3.885 -28.966 30.262 1.00 0.00 WAT +ATOM 42646 H2 TIP3 12112 -3.622 -28.949 31.749 1.00 0.00 WAT +ATOM 42647 OH2 TIP3 12113 -0.304 -27.989 26.588 1.00 0.00 WAT +ATOM 42648 H1 TIP3 12113 -0.617 -27.137 26.236 1.00 0.00 WAT +ATOM 42649 H2 TIP3 12113 0.653 -27.894 26.404 1.00 0.00 WAT +ATOM 42650 OH2 TIP3 12114 4.202 -26.695 29.580 1.00 0.00 WAT +ATOM 42651 H1 TIP3 12114 4.348 -26.836 30.529 1.00 0.00 WAT +ATOM 42652 H2 TIP3 12114 5.020 -26.223 29.322 1.00 0.00 WAT +ATOM 42653 OH2 TIP3 12115 6.480 -25.228 28.825 1.00 0.00 WAT +ATOM 42654 H1 TIP3 12115 7.173 -25.868 28.606 1.00 0.00 WAT +ATOM 42655 H2 TIP3 12115 6.784 -24.909 29.698 1.00 0.00 WAT +ATOM 42656 OH2 TIP3 12116 11.111 -42.757 27.936 1.00 0.00 WAT +ATOM 42657 H1 TIP3 12116 10.559 -42.171 27.387 1.00 0.00 WAT +ATOM 42658 H2 TIP3 12116 11.244 -43.505 27.329 1.00 0.00 WAT +ATOM 42659 OH2 TIP3 12117 -2.950 -25.058 26.944 1.00 0.00 WAT +ATOM 42660 H1 TIP3 12117 -3.492 -24.415 26.447 1.00 0.00 WAT +ATOM 42661 H2 TIP3 12117 -3.329 -24.945 27.823 1.00 0.00 WAT +ATOM 42662 OH2 TIP3 12118 -0.389 -25.262 25.504 1.00 0.00 WAT +ATOM 42663 H1 TIP3 12118 -1.250 -25.054 25.915 1.00 0.00 WAT +ATOM 42664 H2 TIP3 12118 -0.386 -24.648 24.740 1.00 0.00 WAT +ATOM 42665 OH2 TIP3 12119 4.299 -25.251 25.002 1.00 0.00 WAT +ATOM 42666 H1 TIP3 12119 3.873 -24.809 24.243 1.00 0.00 WAT +ATOM 42667 H2 TIP3 12119 4.375 -24.507 25.629 1.00 0.00 WAT +ATOM 42668 OH2 TIP3 12120 6.623 -26.542 25.936 1.00 0.00 WAT +ATOM 42669 H1 TIP3 12120 5.782 -26.180 25.596 1.00 0.00 WAT +ATOM 42670 H2 TIP3 12120 7.187 -25.756 25.913 1.00 0.00 WAT +ATOM 42671 OH2 TIP3 12121 9.179 -24.815 26.126 1.00 0.00 WAT +ATOM 42672 H1 TIP3 12121 9.114 -23.863 25.913 1.00 0.00 WAT +ATOM 42673 H2 TIP3 12121 9.445 -25.171 25.261 1.00 0.00 WAT +ATOM 42674 OH2 TIP3 12122 -3.362 -25.908 23.728 1.00 0.00 WAT +ATOM 42675 H1 TIP3 12122 -3.303 -26.384 24.571 1.00 0.00 WAT +ATOM 42676 H2 TIP3 12122 -2.580 -26.238 23.252 1.00 0.00 WAT +ATOM 42677 OH2 TIP3 12123 -1.379 -27.455 22.290 1.00 0.00 WAT +ATOM 42678 H1 TIP3 12123 -1.540 -28.375 22.578 1.00 0.00 WAT +ATOM 42679 H2 TIP3 12123 -0.465 -27.302 22.593 1.00 0.00 WAT +ATOM 42680 OH2 TIP3 12124 1.415 -26.992 23.167 1.00 0.00 WAT +ATOM 42681 H1 TIP3 12124 1.605 -27.917 22.943 1.00 0.00 WAT +ATOM 42682 H2 TIP3 12124 1.463 -27.021 24.134 1.00 0.00 WAT +ATOM 42683 OH2 TIP3 12125 4.749 -41.132 22.522 1.00 0.00 WAT +ATOM 42684 H1 TIP3 12125 4.102 -41.824 22.742 1.00 0.00 WAT +ATOM 42685 H2 TIP3 12125 5.274 -41.550 21.825 1.00 0.00 WAT +ATOM 42686 OH2 TIP3 12126 9.811 -43.303 22.920 1.00 0.00 WAT +ATOM 42687 H1 TIP3 12126 10.549 -42.973 22.378 1.00 0.00 WAT +ATOM 42688 H2 TIP3 12126 9.048 -42.955 22.438 1.00 0.00 WAT +ATOM 42689 OH2 TIP3 12127 11.902 -42.232 20.725 1.00 0.00 WAT +ATOM 42690 H1 TIP3 12127 12.525 -42.475 20.035 1.00 0.00 WAT +ATOM 42691 H2 TIP3 12127 12.164 -41.299 20.886 1.00 0.00 WAT +ATOM 42692 OH2 TIP3 12128 -2.935 -42.824 19.810 1.00 0.00 WAT +ATOM 42693 H1 TIP3 12128 -3.846 -43.022 19.565 1.00 0.00 WAT +ATOM 42694 H2 TIP3 12128 -2.607 -43.674 20.117 1.00 0.00 WAT +ATOM 42695 OH2 TIP3 12129 -4.349 -42.909 16.035 1.00 0.00 WAT +ATOM 42696 H1 TIP3 12129 -3.886 -42.442 15.313 1.00 0.00 WAT +ATOM 42697 H2 TIP3 12129 -4.720 -42.159 16.531 1.00 0.00 WAT +ATOM 42698 OH2 TIP3 12130 1.576 -42.218 20.164 1.00 0.00 WAT +ATOM 42699 H1 TIP3 12130 2.458 -42.370 19.794 1.00 0.00 WAT +ATOM 42700 H2 TIP3 12130 1.381 -43.029 20.636 1.00 0.00 WAT +ATOM 42701 OH2 TIP3 12131 7.197 -42.704 21.444 1.00 0.00 WAT +ATOM 42702 H1 TIP3 12131 7.466 -42.510 20.536 1.00 0.00 WAT +ATOM 42703 H2 TIP3 12131 6.997 -43.650 21.417 1.00 0.00 WAT +ATOM 42704 OH2 TIP3 12132 8.175 -42.729 17.454 1.00 0.00 WAT +ATOM 42705 H1 TIP3 12132 7.457 -42.131 17.169 1.00 0.00 WAT +ATOM 42706 H2 TIP3 12132 7.814 -43.605 17.280 1.00 0.00 WAT +ATOM 42707 OH2 TIP3 12133 -3.932 -26.967 17.065 1.00 0.00 WAT +ATOM 42708 H1 TIP3 12133 -4.561 -27.029 16.330 1.00 0.00 WAT +ATOM 42709 H2 TIP3 12133 -3.904 -26.006 17.186 1.00 0.00 WAT +ATOM 42710 OH2 TIP3 12134 -2.437 -41.290 14.484 1.00 0.00 WAT +ATOM 42711 H1 TIP3 12134 -1.738 -41.598 13.880 1.00 0.00 WAT +ATOM 42712 H2 TIP3 12134 -1.912 -40.743 15.098 1.00 0.00 WAT +ATOM 42713 OH2 TIP3 12135 2.782 -40.612 16.759 1.00 0.00 WAT +ATOM 42714 H1 TIP3 12135 2.872 -41.431 17.280 1.00 0.00 WAT +ATOM 42715 H2 TIP3 12135 3.005 -39.909 17.401 1.00 0.00 WAT +ATOM 42716 OH2 TIP3 12136 4.862 -25.005 15.036 1.00 0.00 WAT +ATOM 42717 H1 TIP3 12136 5.807 -25.259 15.150 1.00 0.00 WAT +ATOM 42718 H2 TIP3 12136 4.571 -25.779 14.517 1.00 0.00 WAT +ATOM 42719 OH2 TIP3 12137 11.275 -26.103 17.761 1.00 0.00 WAT +ATOM 42720 H1 TIP3 12137 11.039 -26.944 17.320 1.00 0.00 WAT +ATOM 42721 H2 TIP3 12137 11.227 -25.481 17.016 1.00 0.00 WAT +ATOM 42722 OH2 TIP3 12138 -3.380 -41.769 29.182 1.00 0.00 WAT +ATOM 42723 H1 TIP3 12138 -3.737 -42.562 29.610 1.00 0.00 WAT +ATOM 42724 H2 TIP3 12138 -2.502 -42.111 28.963 1.00 0.00 WAT +ATOM 42725 OH2 TIP3 12139 -0.377 -42.799 31.872 1.00 0.00 WAT +ATOM 42726 H1 TIP3 12139 0.498 -43.059 31.506 1.00 0.00 WAT +ATOM 42727 H2 TIP3 12139 -0.582 -43.562 32.425 1.00 0.00 WAT +ATOM 42728 OH2 TIP3 12140 -2.524 -26.092 13.874 1.00 0.00 WAT +ATOM 42729 H1 TIP3 12140 -2.738 -25.683 14.727 1.00 0.00 WAT +ATOM 42730 H2 TIP3 12140 -1.695 -26.557 14.063 1.00 0.00 WAT +ATOM 42731 OH2 TIP3 12141 10.765 -27.343 30.161 1.00 0.00 WAT +ATOM 42732 H1 TIP3 12141 10.031 -27.532 29.549 1.00 0.00 WAT +ATOM 42733 H2 TIP3 12141 10.593 -26.403 30.362 1.00 0.00 WAT +ATOM 42734 OH2 TIP3 12142 24.967 -33.662 20.306 1.00 0.00 WAT +ATOM 42735 H1 TIP3 12142 24.956 -32.694 20.391 1.00 0.00 WAT +ATOM 42736 H2 TIP3 12142 24.199 -33.809 19.735 1.00 0.00 WAT +ATOM 42737 OH2 TIP3 12143 23.874 -34.255 23.386 1.00 0.00 WAT +ATOM 42738 H1 TIP3 12143 23.757 -34.901 24.088 1.00 0.00 WAT +ATOM 42739 H2 TIP3 12143 23.553 -34.764 22.626 1.00 0.00 WAT +ATOM 42740 OH2 TIP3 12144 16.204 -34.573 25.107 1.00 0.00 WAT +ATOM 42741 H1 TIP3 12144 16.290 -35.447 25.540 1.00 0.00 WAT +ATOM 42742 H2 TIP3 12144 17.035 -34.160 25.376 1.00 0.00 WAT +ATOM 42743 OH2 TIP3 12145 27.515 -31.479 21.689 1.00 0.00 WAT +ATOM 42744 H1 TIP3 12145 27.122 -32.184 22.219 1.00 0.00 WAT +ATOM 42745 H2 TIP3 12145 27.782 -30.852 22.376 1.00 0.00 WAT +ATOM 42746 OH2 TIP3 12146 16.954 -30.017 23.547 1.00 0.00 WAT +ATOM 42747 H1 TIP3 12146 16.731 -30.940 23.303 1.00 0.00 WAT +ATOM 42748 H2 TIP3 12146 17.893 -30.131 23.756 1.00 0.00 WAT +ATOM 42749 OH2 TIP3 12147 13.869 -36.637 18.919 1.00 0.00 WAT +ATOM 42750 H1 TIP3 12147 13.522 -35.736 19.013 1.00 0.00 WAT +ATOM 42751 H2 TIP3 12147 13.153 -37.074 18.442 1.00 0.00 WAT +ATOM 42752 OH2 TIP3 12148 14.833 -34.320 20.956 1.00 0.00 WAT +ATOM 42753 H1 TIP3 12148 15.017 -35.159 21.414 1.00 0.00 WAT +ATOM 42754 H2 TIP3 12148 15.614 -34.232 20.394 1.00 0.00 WAT +ATOM 42755 OH2 TIP3 12149 24.564 -26.123 22.250 1.00 0.00 WAT +ATOM 42756 H1 TIP3 12149 25.149 -26.839 21.936 1.00 0.00 WAT +ATOM 42757 H2 TIP3 12149 24.285 -26.458 23.112 1.00 0.00 WAT +ATOM 42758 OH2 TIP3 12150 22.322 -31.707 23.967 1.00 0.00 WAT +ATOM 42759 H1 TIP3 12150 22.628 -32.400 23.360 1.00 0.00 WAT +ATOM 42760 H2 TIP3 12150 23.149 -31.558 24.464 1.00 0.00 WAT +ATOM 42761 OH2 TIP3 12151 30.859 -40.172 24.492 1.00 0.00 WAT +ATOM 42762 H1 TIP3 12151 31.208 -39.721 25.274 1.00 0.00 WAT +ATOM 42763 H2 TIP3 12151 31.509 -39.892 23.821 1.00 0.00 WAT +ATOM 42764 OH2 TIP3 12152 25.587 -37.408 24.454 1.00 0.00 WAT +ATOM 42765 H1 TIP3 12152 25.771 -38.363 24.431 1.00 0.00 WAT +ATOM 42766 H2 TIP3 12152 25.487 -37.218 23.506 1.00 0.00 WAT +ATOM 42767 OH2 TIP3 12153 26.456 -39.216 19.885 1.00 0.00 WAT +ATOM 42768 H1 TIP3 12153 27.078 -39.647 20.506 1.00 0.00 WAT +ATOM 42769 H2 TIP3 12153 27.072 -38.773 19.282 1.00 0.00 WAT +ATOM 42770 OH2 TIP3 12154 15.609 -36.908 22.281 1.00 0.00 WAT +ATOM 42771 H1 TIP3 12154 16.366 -37.306 22.744 1.00 0.00 WAT +ATOM 42772 H2 TIP3 12154 15.690 -37.337 21.409 1.00 0.00 WAT +ATOM 42773 OH2 TIP3 12155 20.590 -35.233 21.506 1.00 0.00 WAT +ATOM 42774 H1 TIP3 12155 21.275 -35.792 21.912 1.00 0.00 WAT +ATOM 42775 H2 TIP3 12155 20.084 -35.899 20.989 1.00 0.00 WAT +ATOM 42776 OH2 TIP3 12156 31.792 -38.418 27.244 1.00 0.00 WAT +ATOM 42777 H1 TIP3 12156 31.047 -37.961 26.819 1.00 0.00 WAT +ATOM 42778 H2 TIP3 12156 31.331 -38.986 27.874 1.00 0.00 WAT +ATOM 42779 OH2 TIP3 12157 24.888 -30.803 19.078 1.00 0.00 WAT +ATOM 42780 H1 TIP3 12157 24.548 -31.052 18.214 1.00 0.00 WAT +ATOM 42781 H2 TIP3 12157 24.413 -29.971 19.257 1.00 0.00 WAT +ATOM 42782 OH2 TIP3 12158 20.323 -32.722 25.830 1.00 0.00 WAT +ATOM 42783 H1 TIP3 12158 19.566 -32.136 26.044 1.00 0.00 WAT +ATOM 42784 H2 TIP3 12158 20.909 -32.121 25.334 1.00 0.00 WAT +ATOM 42785 OH2 TIP3 12159 28.354 -40.145 21.903 1.00 0.00 WAT +ATOM 42786 H1 TIP3 12159 27.846 -40.611 22.579 1.00 0.00 WAT +ATOM 42787 H2 TIP3 12159 28.849 -39.501 22.437 1.00 0.00 WAT +ATOM 42788 OH2 TIP3 12160 18.309 -30.824 26.545 1.00 0.00 WAT +ATOM 42789 H1 TIP3 12160 18.266 -29.904 26.224 1.00 0.00 WAT +ATOM 42790 H2 TIP3 12160 17.432 -30.893 26.969 1.00 0.00 WAT +ATOM 42791 OH2 TIP3 12161 14.600 -31.116 17.419 1.00 0.00 WAT +ATOM 42792 H1 TIP3 12161 14.426 -30.625 16.597 1.00 0.00 WAT +ATOM 42793 H2 TIP3 12161 14.778 -30.408 18.073 1.00 0.00 WAT +ATOM 42794 OH2 TIP3 12162 28.063 -29.676 24.170 1.00 0.00 WAT +ATOM 42795 H1 TIP3 12162 27.097 -29.547 24.200 1.00 0.00 WAT +ATOM 42796 H2 TIP3 12162 28.347 -28.808 23.827 1.00 0.00 WAT +ATOM 42797 OH2 TIP3 12163 28.486 -41.069 25.935 1.00 0.00 WAT +ATOM 42798 H1 TIP3 12163 27.678 -40.779 25.479 1.00 0.00 WAT +ATOM 42799 H2 TIP3 12163 29.145 -40.970 25.221 1.00 0.00 WAT +ATOM 42800 OH2 TIP3 12164 21.366 -43.058 23.168 1.00 0.00 WAT +ATOM 42801 H1 TIP3 12164 21.333 -44.003 22.978 1.00 0.00 WAT +ATOM 42802 H2 TIP3 12164 20.443 -42.774 23.178 1.00 0.00 WAT +ATOM 42803 OH2 TIP3 12165 26.377 -27.751 20.777 1.00 0.00 WAT +ATOM 42804 H1 TIP3 12165 26.858 -28.533 20.442 1.00 0.00 WAT +ATOM 42805 H2 TIP3 12165 27.030 -27.043 20.631 1.00 0.00 WAT +ATOM 42806 OH2 TIP3 12166 27.830 -29.883 19.360 1.00 0.00 WAT +ATOM 42807 H1 TIP3 12166 27.282 -30.328 18.697 1.00 0.00 WAT +ATOM 42808 H2 TIP3 12166 27.766 -30.512 20.105 1.00 0.00 WAT +ATOM 42809 OH2 TIP3 12167 29.251 -31.089 27.853 1.00 0.00 WAT +ATOM 42810 H1 TIP3 12167 29.209 -31.667 27.070 1.00 0.00 WAT +ATOM 42811 H2 TIP3 12167 29.403 -30.215 27.441 1.00 0.00 WAT +ATOM 42812 OH2 TIP3 12168 23.620 -34.146 17.569 1.00 0.00 WAT +ATOM 42813 H1 TIP3 12168 22.947 -33.549 17.189 1.00 0.00 WAT +ATOM 42814 H2 TIP3 12168 24.323 -34.102 16.901 1.00 0.00 WAT +ATOM 42815 OH2 TIP3 12169 23.901 -35.951 14.611 1.00 0.00 WAT +ATOM 42816 H1 TIP3 12169 24.600 -35.646 15.217 1.00 0.00 WAT +ATOM 42817 H2 TIP3 12169 24.408 -36.534 14.028 1.00 0.00 WAT +ATOM 42818 OH2 TIP3 12170 31.086 -34.885 25.793 1.00 0.00 WAT +ATOM 42819 H1 TIP3 12170 30.378 -34.211 25.822 1.00 0.00 WAT +ATOM 42820 H2 TIP3 12170 31.600 -34.569 25.023 1.00 0.00 WAT +ATOM 42821 OH2 TIP3 12171 27.130 -34.142 18.634 1.00 0.00 WAT +ATOM 42822 H1 TIP3 12171 26.439 -33.924 19.301 1.00 0.00 WAT +ATOM 42823 H2 TIP3 12171 27.721 -34.708 19.160 1.00 0.00 WAT +ATOM 42824 OH2 TIP3 12172 27.041 -35.295 28.112 1.00 0.00 WAT +ATOM 42825 H1 TIP3 12172 26.912 -34.322 28.207 1.00 0.00 WAT +ATOM 42826 H2 TIP3 12172 26.422 -35.414 27.361 1.00 0.00 WAT +ATOM 42827 OH2 TIP3 12173 18.718 -33.393 20.414 1.00 0.00 WAT +ATOM 42828 H1 TIP3 12173 18.399 -33.834 19.600 1.00 0.00 WAT +ATOM 42829 H2 TIP3 12173 19.374 -34.038 20.739 1.00 0.00 WAT +ATOM 42830 OH2 TIP3 12174 20.097 -29.963 23.151 1.00 0.00 WAT +ATOM 42831 H1 TIP3 12174 19.973 -30.368 22.281 1.00 0.00 WAT +ATOM 42832 H2 TIP3 12174 20.890 -30.430 23.476 1.00 0.00 WAT +ATOM 42833 OH2 TIP3 12175 19.330 -34.869 24.109 1.00 0.00 WAT +ATOM 42834 H1 TIP3 12175 19.755 -34.807 23.236 1.00 0.00 WAT +ATOM 42835 H2 TIP3 12175 19.634 -34.078 24.575 1.00 0.00 WAT +ATOM 42836 OH2 TIP3 12176 25.234 -29.035 24.487 1.00 0.00 WAT +ATOM 42837 H1 TIP3 12176 25.299 -28.353 25.177 1.00 0.00 WAT +ATOM 42838 H2 TIP3 12176 25.045 -29.848 24.984 1.00 0.00 WAT +ATOM 42839 OH2 TIP3 12177 20.145 -30.270 28.764 1.00 0.00 WAT +ATOM 42840 H1 TIP3 12177 19.628 -29.572 29.208 1.00 0.00 WAT +ATOM 42841 H2 TIP3 12177 19.529 -30.529 28.050 1.00 0.00 WAT +ATOM 42842 OH2 TIP3 12178 26.095 -34.721 16.094 1.00 0.00 WAT +ATOM 42843 H1 TIP3 12178 26.556 -34.427 16.908 1.00 0.00 WAT +ATOM 42844 H2 TIP3 12178 26.581 -34.199 15.408 1.00 0.00 WAT +ATOM 42845 OH2 TIP3 12179 17.170 -33.891 27.918 1.00 0.00 WAT +ATOM 42846 H1 TIP3 12179 17.118 -33.291 28.684 1.00 0.00 WAT +ATOM 42847 H2 TIP3 12179 16.233 -33.996 27.684 1.00 0.00 WAT +ATOM 42848 OH2 TIP3 12180 23.552 -28.098 19.656 1.00 0.00 WAT +ATOM 42849 H1 TIP3 12180 23.996 -27.792 20.455 1.00 0.00 WAT +ATOM 42850 H2 TIP3 12180 23.046 -27.320 19.375 1.00 0.00 WAT +ATOM 42851 OH2 TIP3 12181 18.265 -28.078 29.549 1.00 0.00 WAT +ATOM 42852 H1 TIP3 12181 18.149 -28.015 28.584 1.00 0.00 WAT +ATOM 42853 H2 TIP3 12181 17.377 -28.331 29.862 1.00 0.00 WAT +ATOM 42854 OH2 TIP3 12182 29.297 -43.246 15.322 1.00 0.00 WAT +ATOM 42855 H1 TIP3 12182 28.824 -43.225 16.167 1.00 0.00 WAT +ATOM 42856 H2 TIP3 12182 30.052 -42.677 15.532 1.00 0.00 WAT +ATOM 42857 OH2 TIP3 12183 17.662 -34.616 17.969 1.00 0.00 WAT +ATOM 42858 H1 TIP3 12183 17.424 -33.895 17.363 1.00 0.00 WAT +ATOM 42859 H2 TIP3 12183 17.047 -35.317 17.715 1.00 0.00 WAT +ATOM 42860 OH2 TIP3 12184 30.901 -28.825 14.117 1.00 0.00 WAT +ATOM 42861 H1 TIP3 12184 31.053 -27.892 14.363 1.00 0.00 WAT +ATOM 42862 H2 TIP3 12184 31.766 -29.229 14.323 1.00 0.00 WAT +ATOM 42863 OH2 TIP3 12185 13.703 -31.953 26.674 1.00 0.00 WAT +ATOM 42864 H1 TIP3 12185 13.281 -31.963 25.792 1.00 0.00 WAT +ATOM 42865 H2 TIP3 12185 13.848 -32.904 26.838 1.00 0.00 WAT +ATOM 42866 OH2 TIP3 12186 13.759 -29.029 23.595 1.00 0.00 WAT +ATOM 42867 H1 TIP3 12186 14.679 -29.328 23.648 1.00 0.00 WAT +ATOM 42868 H2 TIP3 12186 13.708 -28.429 24.353 1.00 0.00 WAT +ATOM 42869 OH2 TIP3 12187 31.999 -28.583 29.362 1.00 0.00 WAT +ATOM 42870 H1 TIP3 12187 31.843 -29.536 29.273 1.00 0.00 WAT +ATOM 42871 H2 TIP3 12187 31.122 -28.260 29.638 1.00 0.00 WAT +ATOM 42872 OH2 TIP3 12188 22.794 -29.207 28.172 1.00 0.00 WAT +ATOM 42873 H1 TIP3 12188 22.880 -28.376 28.683 1.00 0.00 WAT +ATOM 42874 H2 TIP3 12188 21.884 -29.481 28.396 1.00 0.00 WAT +ATOM 42875 OH2 TIP3 12189 23.085 -25.379 18.148 1.00 0.00 WAT +ATOM 42876 H1 TIP3 12189 23.073 -25.298 17.178 1.00 0.00 WAT +ATOM 42877 H2 TIP3 12189 23.134 -24.457 18.442 1.00 0.00 WAT +ATOM 42878 OH2 TIP3 12190 16.889 -26.239 19.770 1.00 0.00 WAT +ATOM 42879 H1 TIP3 12190 17.027 -26.698 20.623 1.00 0.00 WAT +ATOM 42880 H2 TIP3 12190 16.057 -26.635 19.474 1.00 0.00 WAT +ATOM 42881 OH2 TIP3 12191 26.397 -25.951 15.330 1.00 0.00 WAT +ATOM 42882 H1 TIP3 12191 26.953 -26.617 14.881 1.00 0.00 WAT +ATOM 42883 H2 TIP3 12191 26.321 -26.335 16.227 1.00 0.00 WAT +ATOM 42884 OH2 TIP3 12192 25.774 -26.533 18.136 1.00 0.00 WAT +ATOM 42885 H1 TIP3 12192 24.817 -26.397 18.260 1.00 0.00 WAT +ATOM 42886 H2 TIP3 12192 25.921 -27.262 18.763 1.00 0.00 WAT +ATOM 42887 OH2 TIP3 12193 15.888 -30.406 27.924 1.00 0.00 WAT +ATOM 42888 H1 TIP3 12193 16.172 -30.894 28.723 1.00 0.00 WAT +ATOM 42889 H2 TIP3 12193 15.156 -30.950 27.581 1.00 0.00 WAT +ATOM 42890 OH2 TIP3 12194 23.692 -42.606 27.435 1.00 0.00 WAT +ATOM 42891 H1 TIP3 12194 23.826 -43.125 28.234 1.00 0.00 WAT +ATOM 42892 H2 TIP3 12194 22.753 -42.765 27.263 1.00 0.00 WAT +ATOM 42893 OH2 TIP3 12195 26.622 -38.636 27.845 1.00 0.00 WAT +ATOM 42894 H1 TIP3 12195 26.027 -38.795 28.600 1.00 0.00 WAT +ATOM 42895 H2 TIP3 12195 26.549 -37.684 27.699 1.00 0.00 WAT +ATOM 42896 OH2 TIP3 12196 27.636 -33.624 14.097 1.00 0.00 WAT +ATOM 42897 H1 TIP3 12196 27.426 -33.792 13.158 1.00 0.00 WAT +ATOM 42898 H2 TIP3 12196 28.573 -33.370 14.035 1.00 0.00 WAT +ATOM 42899 OH2 TIP3 12197 23.295 -39.938 14.545 1.00 0.00 WAT +ATOM 42900 H1 TIP3 12197 22.754 -40.043 15.356 1.00 0.00 WAT +ATOM 42901 H2 TIP3 12197 22.789 -40.538 13.954 1.00 0.00 WAT +ATOM 42902 OH2 TIP3 12198 18.969 -36.970 19.950 1.00 0.00 WAT +ATOM 42903 H1 TIP3 12198 18.082 -37.346 20.079 1.00 0.00 WAT +ATOM 42904 H2 TIP3 12198 19.235 -37.413 19.127 1.00 0.00 WAT +ATOM 42905 OH2 TIP3 12199 24.501 -36.514 18.754 1.00 0.00 WAT +ATOM 42906 H1 TIP3 12199 24.089 -35.688 18.418 1.00 0.00 WAT +ATOM 42907 H2 TIP3 12199 25.155 -36.688 18.058 1.00 0.00 WAT +ATOM 42908 OH2 TIP3 12200 23.688 -36.268 30.329 1.00 0.00 WAT +ATOM 42909 H1 TIP3 12200 23.109 -37.058 30.417 1.00 0.00 WAT +ATOM 42910 H2 TIP3 12200 24.572 -36.646 30.424 1.00 0.00 WAT +ATOM 42911 OH2 TIP3 12201 25.406 -37.108 21.520 1.00 0.00 WAT +ATOM 42912 H1 TIP3 12201 25.068 -36.532 20.805 1.00 0.00 WAT +ATOM 42913 H2 TIP3 12201 25.584 -37.918 21.001 1.00 0.00 WAT +ATOM 42914 OH2 TIP3 12202 16.181 -36.910 26.871 1.00 0.00 WAT +ATOM 42915 H1 TIP3 12202 16.677 -36.757 27.678 1.00 0.00 WAT +ATOM 42916 H2 TIP3 12202 16.108 -37.883 26.875 1.00 0.00 WAT +ATOM 42917 OH2 TIP3 12203 19.660 -39.448 13.536 1.00 0.00 WAT +ATOM 42918 H1 TIP3 12203 19.306 -39.810 14.369 1.00 0.00 WAT +ATOM 42919 H2 TIP3 12203 18.866 -39.285 13.014 1.00 0.00 WAT +ATOM 42920 OH2 TIP3 12204 13.119 -39.714 20.670 1.00 0.00 WAT +ATOM 42921 H1 TIP3 12204 13.761 -39.520 21.376 1.00 0.00 WAT +ATOM 42922 H2 TIP3 12204 13.692 -39.873 19.910 1.00 0.00 WAT +ATOM 42923 OH2 TIP3 12205 14.688 -39.119 16.261 1.00 0.00 WAT +ATOM 42924 H1 TIP3 12205 15.260 -38.615 15.649 1.00 0.00 WAT +ATOM 42925 H2 TIP3 12205 14.003 -38.453 16.456 1.00 0.00 WAT +ATOM 42926 OH2 TIP3 12206 24.855 -35.499 26.288 1.00 0.00 WAT +ATOM 42927 H1 TIP3 12206 25.046 -36.145 25.570 1.00 0.00 WAT +ATOM 42928 H2 TIP3 12206 24.071 -35.871 26.706 1.00 0.00 WAT +ATOM 42929 OH2 TIP3 12207 21.297 -39.487 21.050 1.00 0.00 WAT +ATOM 42930 H1 TIP3 12207 20.355 -39.401 21.285 1.00 0.00 WAT +ATOM 42931 H2 TIP3 12207 21.686 -39.639 21.920 1.00 0.00 WAT +ATOM 42932 OH2 TIP3 12208 16.160 -38.260 19.746 1.00 0.00 WAT +ATOM 42933 H1 TIP3 12208 15.411 -37.995 19.186 1.00 0.00 WAT +ATOM 42934 H2 TIP3 12208 16.537 -39.044 19.298 1.00 0.00 WAT +ATOM 42935 OH2 TIP3 12209 19.874 -37.984 17.303 1.00 0.00 WAT +ATOM 42936 H1 TIP3 12209 20.823 -37.816 17.417 1.00 0.00 WAT +ATOM 42937 H2 TIP3 12209 19.595 -37.298 16.673 1.00 0.00 WAT +ATOM 42938 OH2 TIP3 12210 25.995 -40.339 24.013 1.00 0.00 WAT +ATOM 42939 H1 TIP3 12210 25.332 -40.353 24.729 1.00 0.00 WAT +ATOM 42940 H2 TIP3 12210 25.437 -40.643 23.273 1.00 0.00 WAT +ATOM 42941 OH2 TIP3 12211 18.301 -36.681 15.119 1.00 0.00 WAT +ATOM 42942 H1 TIP3 12211 17.740 -36.958 14.379 1.00 0.00 WAT +ATOM 42943 H2 TIP3 12211 19.134 -36.491 14.654 1.00 0.00 WAT +ATOM 42944 OH2 TIP3 12212 16.964 -31.946 30.112 1.00 0.00 WAT +ATOM 42945 H1 TIP3 12212 17.628 -31.834 30.823 1.00 0.00 WAT +ATOM 42946 H2 TIP3 12212 16.150 -31.958 30.651 1.00 0.00 WAT +ATOM 42947 OH2 TIP3 12213 22.722 -36.930 22.882 1.00 0.00 WAT +ATOM 42948 H1 TIP3 12213 23.367 -37.477 22.412 1.00 0.00 WAT +ATOM 42949 H2 TIP3 12213 22.389 -37.540 23.570 1.00 0.00 WAT +ATOM 42950 OH2 TIP3 12214 17.872 -40.530 19.002 1.00 0.00 WAT +ATOM 42951 H1 TIP3 12214 17.500 -41.349 19.357 1.00 0.00 WAT +ATOM 42952 H2 TIP3 12214 18.753 -40.804 18.724 1.00 0.00 WAT +ATOM 42953 OH2 TIP3 12215 21.463 -38.286 25.160 1.00 0.00 WAT +ATOM 42954 H1 TIP3 12215 20.577 -37.905 25.052 1.00 0.00 WAT +ATOM 42955 H2 TIP3 12215 21.756 -37.976 26.040 1.00 0.00 WAT +ATOM 42956 OH2 TIP3 12216 21.783 -32.090 16.965 1.00 0.00 WAT +ATOM 42957 H1 TIP3 12216 21.025 -32.603 16.610 1.00 0.00 WAT +ATOM 42958 H2 TIP3 12216 21.586 -32.057 17.928 1.00 0.00 WAT +ATOM 42959 OH2 TIP3 12217 28.999 -32.981 25.697 1.00 0.00 WAT +ATOM 42960 H1 TIP3 12217 29.503 -32.417 25.070 1.00 0.00 WAT +ATOM 42961 H2 TIP3 12217 28.147 -33.069 25.223 1.00 0.00 WAT +ATOM 42962 OH2 TIP3 12218 25.961 -39.297 14.568 1.00 0.00 WAT +ATOM 42963 H1 TIP3 12218 24.979 -39.387 14.600 1.00 0.00 WAT +ATOM 42964 H2 TIP3 12218 26.140 -38.628 15.258 1.00 0.00 WAT +ATOM 42965 OH2 TIP3 12219 23.547 -32.065 28.337 1.00 0.00 WAT +ATOM 42966 H1 TIP3 12219 23.082 -32.385 29.120 1.00 0.00 WAT +ATOM 42967 H2 TIP3 12219 23.181 -31.170 28.240 1.00 0.00 WAT +ATOM 42968 OH2 TIP3 12220 26.610 -37.492 16.733 1.00 0.00 WAT +ATOM 42969 H1 TIP3 12220 27.480 -37.622 17.159 1.00 0.00 WAT +ATOM 42970 H2 TIP3 12220 26.698 -36.597 16.355 1.00 0.00 WAT +ATOM 42971 OH2 TIP3 12221 17.089 -32.753 22.832 1.00 0.00 WAT +ATOM 42972 H1 TIP3 12221 17.568 -32.900 21.997 1.00 0.00 WAT +ATOM 42973 H2 TIP3 12221 17.019 -33.652 23.188 1.00 0.00 WAT +ATOM 42974 OH2 TIP3 12222 24.186 -30.733 15.891 1.00 0.00 WAT +ATOM 42975 H1 TIP3 12222 23.927 -29.871 16.277 1.00 0.00 WAT +ATOM 42976 H2 TIP3 12222 23.434 -31.289 16.162 1.00 0.00 WAT +ATOM 42977 OH2 TIP3 12223 14.094 -34.391 28.103 1.00 0.00 WAT +ATOM 42978 H1 TIP3 12223 14.363 -34.895 28.894 1.00 0.00 WAT +ATOM 42979 H2 TIP3 12223 13.632 -35.053 27.564 1.00 0.00 WAT +ATOM 42980 OH2 TIP3 12224 21.121 -34.953 30.056 1.00 0.00 WAT +ATOM 42981 H1 TIP3 12224 20.681 -35.201 29.218 1.00 0.00 WAT +ATOM 42982 H2 TIP3 12224 22.041 -35.185 29.851 1.00 0.00 WAT +ATOM 42983 OH2 TIP3 12225 25.718 -29.608 27.766 1.00 0.00 WAT +ATOM 42984 H1 TIP3 12225 24.760 -29.472 27.699 1.00 0.00 WAT +ATOM 42985 H2 TIP3 12225 25.907 -29.262 28.652 1.00 0.00 WAT +ATOM 42986 OH2 TIP3 12226 31.228 -37.459 16.531 1.00 0.00 WAT +ATOM 42987 H1 TIP3 12226 30.665 -37.651 15.754 1.00 0.00 WAT +ATOM 42988 H2 TIP3 12226 31.344 -36.497 16.393 1.00 0.00 WAT +ATOM 42989 OH2 TIP3 12227 31.577 -31.570 29.359 1.00 0.00 WAT +ATOM 42990 H1 TIP3 12227 30.634 -31.415 29.141 1.00 0.00 WAT +ATOM 42991 H2 TIP3 12227 31.941 -31.676 28.460 1.00 0.00 WAT +ATOM 42992 OH2 TIP3 12228 29.430 -28.827 16.627 1.00 0.00 WAT +ATOM 42993 H1 TIP3 12228 29.192 -29.596 17.166 1.00 0.00 WAT +ATOM 42994 H2 TIP3 12228 29.959 -29.214 15.916 1.00 0.00 WAT +ATOM 42995 OH2 TIP3 12229 26.676 -33.513 24.010 1.00 0.00 WAT +ATOM 42996 H1 TIP3 12229 25.740 -33.649 23.764 1.00 0.00 WAT +ATOM 42997 H2 TIP3 12229 27.102 -34.226 23.493 1.00 0.00 WAT +ATOM 42998 OH2 TIP3 12230 19.307 -29.419 20.040 1.00 0.00 WAT +ATOM 42999 H1 TIP3 12230 19.726 -28.553 19.912 1.00 0.00 WAT +ATOM 43000 H2 TIP3 12230 18.391 -29.231 19.800 1.00 0.00 WAT +ATOM 43001 OH2 TIP3 12231 15.295 -34.626 14.654 1.00 0.00 WAT +ATOM 43002 H1 TIP3 12231 15.881 -33.956 15.052 1.00 0.00 WAT +ATOM 43003 H2 TIP3 12231 14.424 -34.335 14.980 1.00 0.00 WAT +ATOM 43004 OH2 TIP3 12232 21.150 -31.721 19.683 1.00 0.00 WAT +ATOM 43005 H1 TIP3 12232 20.809 -30.821 19.808 1.00 0.00 WAT +ATOM 43006 H2 TIP3 12232 20.450 -32.248 20.097 1.00 0.00 WAT +ATOM 43007 OH2 TIP3 12233 21.304 -27.466 26.025 1.00 0.00 WAT +ATOM 43008 H1 TIP3 12233 21.858 -26.721 25.733 1.00 0.00 WAT +ATOM 43009 H2 TIP3 12233 21.930 -27.958 26.580 1.00 0.00 WAT +ATOM 43010 OH2 TIP3 12234 19.751 -26.520 19.281 1.00 0.00 WAT +ATOM 43011 H1 TIP3 12234 18.792 -26.372 19.339 1.00 0.00 WAT +ATOM 43012 H2 TIP3 12234 20.096 -25.633 19.493 1.00 0.00 WAT +ATOM 43013 OH2 TIP3 12235 24.759 -31.763 25.635 1.00 0.00 WAT +ATOM 43014 H1 TIP3 12235 24.483 -31.994 26.539 1.00 0.00 WAT +ATOM 43015 H2 TIP3 12235 25.486 -32.383 25.471 1.00 0.00 WAT +ATOM 43016 OH2 TIP3 12236 26.891 -30.401 14.514 1.00 0.00 WAT +ATOM 43017 H1 TIP3 12236 27.298 -30.873 15.263 1.00 0.00 WAT +ATOM 43018 H2 TIP3 12236 25.956 -30.545 14.741 1.00 0.00 WAT +ATOM 43019 OH2 TIP3 12237 27.686 -27.155 27.996 1.00 0.00 WAT +ATOM 43020 H1 TIP3 12237 26.926 -27.537 27.517 1.00 0.00 WAT +ATOM 43021 H2 TIP3 12237 27.844 -26.332 27.488 1.00 0.00 WAT +ATOM 43022 OH2 TIP3 12238 31.632 -26.154 15.039 1.00 0.00 WAT +ATOM 43023 H1 TIP3 12238 32.312 -25.501 14.809 1.00 0.00 WAT +ATOM 43024 H2 TIP3 12238 30.851 -25.570 15.057 1.00 0.00 WAT +ATOM 43025 OH2 TIP3 12239 15.628 -39.626 27.635 1.00 0.00 WAT +ATOM 43026 H1 TIP3 12239 14.807 -39.492 27.133 1.00 0.00 WAT +ATOM 43027 H2 TIP3 12239 15.491 -40.554 27.902 1.00 0.00 WAT +ATOM 43028 OH2 TIP3 12240 27.847 -31.797 16.892 1.00 0.00 WAT +ATOM 43029 H1 TIP3 12240 27.570 -32.519 17.482 1.00 0.00 WAT +ATOM 43030 H2 TIP3 12240 28.815 -31.825 16.985 1.00 0.00 WAT +ATOM 43031 OH2 TIP3 12241 15.273 -28.025 26.060 1.00 0.00 WAT +ATOM 43032 H1 TIP3 12241 15.561 -28.936 26.216 1.00 0.00 WAT +ATOM 43033 H2 TIP3 12241 15.490 -27.624 26.910 1.00 0.00 WAT +ATOM 43034 OH2 TIP3 12242 21.134 -29.361 13.091 1.00 0.00 WAT +ATOM 43035 H1 TIP3 12242 21.402 -30.149 12.584 1.00 0.00 WAT +ATOM 43036 H2 TIP3 12242 20.692 -29.766 13.857 1.00 0.00 WAT +ATOM 43037 OH2 TIP3 12243 19.971 -29.852 15.792 1.00 0.00 WAT +ATOM 43038 H1 TIP3 12243 20.476 -30.379 16.427 1.00 0.00 WAT +ATOM 43039 H2 TIP3 12243 20.112 -28.938 16.117 1.00 0.00 WAT +ATOM 43040 OH2 TIP3 12244 16.802 -32.415 16.186 1.00 0.00 WAT +ATOM 43041 H1 TIP3 12244 16.080 -32.031 16.720 1.00 0.00 WAT +ATOM 43042 H2 TIP3 12244 17.271 -31.610 15.906 1.00 0.00 WAT +ATOM 43043 OH2 TIP3 12245 24.364 -40.025 26.321 1.00 0.00 WAT +ATOM 43044 H1 TIP3 12245 25.071 -39.828 26.948 1.00 0.00 WAT +ATOM 43045 H2 TIP3 12245 24.031 -40.892 26.617 1.00 0.00 WAT +ATOM 43046 OH2 TIP3 12246 25.257 -40.593 17.442 1.00 0.00 WAT +ATOM 43047 H1 TIP3 12246 25.242 -39.981 16.691 1.00 0.00 WAT +ATOM 43048 H2 TIP3 12246 25.547 -40.013 18.165 1.00 0.00 WAT +ATOM 43049 OH2 TIP3 12247 22.924 -28.207 16.433 1.00 0.00 WAT +ATOM 43050 H1 TIP3 12247 22.092 -27.732 16.590 1.00 0.00 WAT +ATOM 43051 H2 TIP3 12247 23.260 -27.758 15.645 1.00 0.00 WAT +ATOM 43052 OH2 TIP3 12248 22.562 -38.572 18.550 1.00 0.00 WAT +ATOM 43053 H1 TIP3 12248 23.256 -37.894 18.685 1.00 0.00 WAT +ATOM 43054 H2 TIP3 12248 22.143 -38.629 19.428 1.00 0.00 WAT +ATOM 43055 OH2 TIP3 12249 22.726 -37.647 27.616 1.00 0.00 WAT +ATOM 43056 H1 TIP3 12249 22.973 -37.055 28.335 1.00 0.00 WAT +ATOM 43057 H2 TIP3 12249 23.413 -38.327 27.606 1.00 0.00 WAT +ATOM 43058 OH2 TIP3 12250 23.320 -41.681 19.556 1.00 0.00 WAT +ATOM 43059 H1 TIP3 12250 22.897 -40.892 19.931 1.00 0.00 WAT +ATOM 43060 H2 TIP3 12250 23.772 -41.301 18.780 1.00 0.00 WAT +ATOM 43061 OH2 TIP3 12251 20.126 -27.153 16.425 1.00 0.00 WAT +ATOM 43062 H1 TIP3 12251 20.047 -26.347 15.869 1.00 0.00 WAT +ATOM 43063 H2 TIP3 12251 19.976 -26.795 17.318 1.00 0.00 WAT +ATOM 43064 OH2 TIP3 12252 18.736 -40.494 16.022 1.00 0.00 WAT +ATOM 43065 H1 TIP3 12252 18.784 -39.663 16.535 1.00 0.00 WAT +ATOM 43066 H2 TIP3 12252 19.593 -40.885 16.267 1.00 0.00 WAT +ATOM 43067 OH2 TIP3 12253 29.317 -39.644 28.403 1.00 0.00 WAT +ATOM 43068 H1 TIP3 12253 28.375 -39.396 28.383 1.00 0.00 WAT +ATOM 43069 H2 TIP3 12253 29.409 -39.925 27.481 1.00 0.00 WAT +ATOM 43070 OH2 TIP3 12254 27.674 -35.737 22.494 1.00 0.00 WAT +ATOM 43071 H1 TIP3 12254 26.856 -36.184 22.205 1.00 0.00 WAT +ATOM 43072 H2 TIP3 12254 28.159 -36.465 22.940 1.00 0.00 WAT +ATOM 43073 OH2 TIP3 12255 17.233 -29.610 14.961 1.00 0.00 WAT +ATOM 43074 H1 TIP3 12255 17.971 -29.108 15.347 1.00 0.00 WAT +ATOM 43075 H2 TIP3 12255 17.720 -30.103 14.282 1.00 0.00 WAT +ATOM 43076 OH2 TIP3 12256 15.383 -37.447 14.057 1.00 0.00 WAT +ATOM 43077 H1 TIP3 12256 15.517 -36.509 14.291 1.00 0.00 WAT +ATOM 43078 H2 TIP3 12256 14.509 -37.427 13.648 1.00 0.00 WAT +ATOM 43079 OH2 TIP3 12257 28.701 -26.900 23.890 1.00 0.00 WAT +ATOM 43080 H1 TIP3 12257 28.501 -26.063 23.426 1.00 0.00 WAT +ATOM 43081 H2 TIP3 12257 29.621 -26.735 24.152 1.00 0.00 WAT +ATOM 43082 OH2 TIP3 12258 15.998 -42.376 23.232 1.00 0.00 WAT +ATOM 43083 H1 TIP3 12258 16.416 -42.183 22.383 1.00 0.00 WAT +ATOM 43084 H2 TIP3 12258 15.823 -43.321 23.153 1.00 0.00 WAT +ATOM 43085 OH2 TIP3 12259 15.191 -28.894 19.140 1.00 0.00 WAT +ATOM 43086 H1 TIP3 12259 14.413 -28.371 19.372 1.00 0.00 WAT +ATOM 43087 H2 TIP3 12259 15.571 -28.368 18.421 1.00 0.00 WAT +ATOM 43088 OH2 TIP3 12260 14.615 -25.987 30.267 1.00 0.00 WAT +ATOM 43089 H1 TIP3 12260 15.172 -26.262 31.021 1.00 0.00 WAT +ATOM 43090 H2 TIP3 12260 14.212 -26.836 29.999 1.00 0.00 WAT +ATOM 43091 OH2 TIP3 12261 19.252 -26.965 32.090 1.00 0.00 WAT +ATOM 43092 H1 TIP3 12261 19.999 -27.561 32.251 1.00 0.00 WAT +ATOM 43093 H2 TIP3 12261 19.050 -27.172 31.162 1.00 0.00 WAT +ATOM 43094 OH2 TIP3 12262 23.347 -27.672 13.600 1.00 0.00 WAT +ATOM 43095 H1 TIP3 12262 22.578 -28.273 13.486 1.00 0.00 WAT +ATOM 43096 H2 TIP3 12262 24.046 -28.218 13.206 1.00 0.00 WAT +ATOM 43097 OH2 TIP3 12263 25.732 -28.621 30.650 1.00 0.00 WAT +ATOM 43098 H1 TIP3 12263 25.386 -29.449 31.026 1.00 0.00 WAT +ATOM 43099 H2 TIP3 12263 26.453 -28.391 31.265 1.00 0.00 WAT +ATOM 43100 OH2 TIP3 12264 27.978 -27.745 13.699 1.00 0.00 WAT +ATOM 43101 H1 TIP3 12264 28.105 -28.570 14.197 1.00 0.00 WAT +ATOM 43102 H2 TIP3 12264 28.763 -27.729 13.124 1.00 0.00 WAT +ATOM 43103 OH2 TIP3 12265 14.554 -32.364 31.407 1.00 0.00 WAT +ATOM 43104 H1 TIP3 12265 14.649 -33.257 31.037 1.00 0.00 WAT +ATOM 43105 H2 TIP3 12265 13.788 -32.041 30.893 1.00 0.00 WAT +ATOM 43106 OH2 TIP3 12266 18.769 -31.927 13.422 1.00 0.00 WAT +ATOM 43107 H1 TIP3 12266 18.930 -32.523 14.172 1.00 0.00 WAT +ATOM 43108 H2 TIP3 12266 19.629 -31.971 12.964 1.00 0.00 WAT +ATOM 43109 OH2 TIP3 12267 21.219 -32.191 30.723 1.00 0.00 WAT +ATOM 43110 H1 TIP3 12267 20.874 -31.803 29.899 1.00 0.00 WAT +ATOM 43111 H2 TIP3 12267 21.197 -33.152 30.537 1.00 0.00 WAT +ATOM 43112 OH2 TIP3 12268 24.021 -30.600 13.035 1.00 0.00 WAT +ATOM 43113 H1 TIP3 12268 23.956 -30.649 14.005 1.00 0.00 WAT +ATOM 43114 H2 TIP3 12268 23.958 -31.554 12.814 1.00 0.00 WAT +ATOM 43115 OH2 TIP3 12269 26.642 -32.635 28.457 1.00 0.00 WAT +ATOM 43116 H1 TIP3 12269 27.310 -31.995 28.152 1.00 0.00 WAT +ATOM 43117 H2 TIP3 12269 25.830 -32.104 28.358 1.00 0.00 WAT +ATOM 43118 OH2 TIP3 12270 15.409 -35.204 30.574 1.00 0.00 WAT +ATOM 43119 H1 TIP3 12270 16.123 -35.857 30.571 1.00 0.00 WAT +ATOM 43120 H2 TIP3 12270 15.347 -34.996 31.519 1.00 0.00 WAT +ATOM 43121 OH2 TIP3 12271 19.864 -33.852 15.766 1.00 0.00 WAT +ATOM 43122 H1 TIP3 12271 19.253 -34.357 16.323 1.00 0.00 WAT +ATOM 43123 H2 TIP3 12271 20.149 -34.534 15.124 1.00 0.00 WAT +ATOM 43124 OH2 TIP3 12272 19.184 -36.052 27.998 1.00 0.00 WAT +ATOM 43125 H1 TIP3 12272 18.531 -35.332 28.090 1.00 0.00 WAT +ATOM 43126 H2 TIP3 12272 19.615 -35.791 27.169 1.00 0.00 WAT +ATOM 43127 OH2 TIP3 12273 20.802 -35.830 14.015 1.00 0.00 WAT +ATOM 43128 H1 TIP3 12273 20.760 -35.751 13.044 1.00 0.00 WAT +ATOM 43129 H2 TIP3 12273 21.764 -35.875 14.165 1.00 0.00 WAT +ATOM 43130 OH2 TIP3 12274 24.367 -33.314 31.636 1.00 0.00 WAT +ATOM 43131 H1 TIP3 12274 25.235 -33.339 31.224 1.00 0.00 WAT +ATOM 43132 H2 TIP3 12274 24.120 -34.236 31.723 1.00 0.00 WAT +ATOM 43133 OH2 TIP3 12275 30.328 -33.316 13.334 1.00 0.00 WAT +ATOM 43134 H1 TIP3 12275 30.209 -33.738 12.471 1.00 0.00 WAT +ATOM 43135 H2 TIP3 12275 30.206 -32.371 13.094 1.00 0.00 WAT +ATOM 43136 OH2 TIP3 12276 19.694 -38.747 29.129 1.00 0.00 WAT +ATOM 43137 H1 TIP3 12276 19.653 -39.430 28.439 1.00 0.00 WAT +ATOM 43138 H2 TIP3 12276 19.492 -37.947 28.608 1.00 0.00 WAT +ATOM 43139 OH2 TIP3 12277 19.899 -40.413 26.482 1.00 0.00 WAT +ATOM 43140 H1 TIP3 12277 20.511 -39.878 25.939 1.00 0.00 WAT +ATOM 43141 H2 TIP3 12277 19.084 -40.232 25.967 1.00 0.00 WAT +ATOM 43142 OH2 TIP3 12278 21.765 -34.792 27.049 1.00 0.00 WAT +ATOM 43143 H1 TIP3 12278 22.379 -34.887 26.319 1.00 0.00 WAT +ATOM 43144 H2 TIP3 12278 21.253 -34.013 26.752 1.00 0.00 WAT +ATOM 43145 OH2 TIP3 12279 26.570 -36.781 31.709 1.00 0.00 WAT +ATOM 43146 H1 TIP3 12279 26.285 -37.710 31.691 1.00 0.00 WAT +ATOM 43147 H2 TIP3 12279 27.446 -36.899 32.132 1.00 0.00 WAT +ATOM 43148 OH2 TIP3 12280 17.968 -37.001 31.030 1.00 0.00 WAT +ATOM 43149 H1 TIP3 12280 17.359 -37.752 30.923 1.00 0.00 WAT +ATOM 43150 H2 TIP3 12280 18.694 -37.259 30.442 1.00 0.00 WAT +ATOM 43151 OH2 TIP3 12281 20.617 -42.816 27.789 1.00 0.00 WAT +ATOM 43152 H1 TIP3 12281 20.597 -41.904 27.430 1.00 0.00 WAT +ATOM 43153 H2 TIP3 12281 19.734 -43.114 27.535 1.00 0.00 WAT +ATOM 43154 OH2 TIP3 12282 22.003 -38.429 30.752 1.00 0.00 WAT +ATOM 43155 H1 TIP3 12282 21.587 -38.731 31.581 1.00 0.00 WAT +ATOM 43156 H2 TIP3 12282 21.252 -38.602 30.143 1.00 0.00 WAT +ATOM 43157 OH2 TIP3 12283 24.662 -39.345 29.801 1.00 0.00 WAT +ATOM 43158 H1 TIP3 12283 23.713 -39.341 30.026 1.00 0.00 WAT +ATOM 43159 H2 TIP3 12283 24.981 -40.103 30.324 1.00 0.00 WAT +ATOM 43160 OH2 TIP3 12284 26.309 -41.213 31.573 1.00 0.00 WAT +ATOM 43161 H1 TIP3 12284 26.157 -42.141 31.799 1.00 0.00 WAT +ATOM 43162 H2 TIP3 12284 26.049 -40.751 32.381 1.00 0.00 WAT +ATOM 43163 OH2 TIP3 12285 16.630 -39.574 30.763 1.00 0.00 WAT +ATOM 43164 H1 TIP3 12285 16.377 -40.169 30.033 1.00 0.00 WAT +ATOM 43165 H2 TIP3 12285 16.206 -39.996 31.525 1.00 0.00 WAT +ATOM 43166 OH2 TIP3 12286 21.676 -41.420 31.816 1.00 0.00 WAT +ATOM 43167 H1 TIP3 12286 21.455 -42.260 31.369 1.00 0.00 WAT +ATOM 43168 H2 TIP3 12286 20.809 -40.983 31.879 1.00 0.00 WAT +ATOM 43169 OH2 TIP3 12287 20.581 -24.607 15.118 1.00 0.00 WAT +ATOM 43170 H1 TIP3 12287 21.537 -24.481 15.197 1.00 0.00 WAT +ATOM 43171 H2 TIP3 12287 20.408 -24.145 14.286 1.00 0.00 WAT +ATOM 43172 OH2 TIP3 12288 14.484 -30.212 14.666 1.00 0.00 WAT +ATOM 43173 H1 TIP3 12288 15.438 -30.012 14.777 1.00 0.00 WAT +ATOM 43174 H2 TIP3 12288 14.507 -30.984 14.066 1.00 0.00 WAT +ATOM 43175 OH2 TIP3 12289 13.484 -25.010 19.381 1.00 0.00 WAT +ATOM 43176 H1 TIP3 12289 12.771 -25.379 18.825 1.00 0.00 WAT +ATOM 43177 H2 TIP3 12289 13.569 -25.698 20.071 1.00 0.00 WAT +ATOM 43178 OH2 TIP3 12290 13.870 -26.990 21.368 1.00 0.00 WAT +ATOM 43179 H1 TIP3 12290 13.574 -27.859 21.685 1.00 0.00 WAT +ATOM 43180 H2 TIP3 12290 14.211 -26.628 22.200 1.00 0.00 WAT +ATOM 43181 OH2 TIP3 12291 31.408 -25.760 24.408 1.00 0.00 WAT +ATOM 43182 H1 TIP3 12291 31.488 -25.693 25.378 1.00 0.00 WAT +ATOM 43183 H2 TIP3 12291 32.284 -25.469 24.126 1.00 0.00 WAT +ATOM 43184 OH2 TIP3 12292 31.340 -26.172 27.216 1.00 0.00 WAT +ATOM 43185 H1 TIP3 12292 30.742 -26.898 26.982 1.00 0.00 WAT +ATOM 43186 H2 TIP3 12292 31.816 -26.549 27.966 1.00 0.00 WAT +ATOM 43187 OH2 TIP3 12293 29.326 -30.802 31.605 1.00 0.00 WAT +ATOM 43188 H1 TIP3 12293 28.437 -30.659 31.976 1.00 0.00 WAT +ATOM 43189 H2 TIP3 12293 29.785 -29.978 31.838 1.00 0.00 WAT +ATOM 43190 OH2 TIP3 12294 30.712 -31.941 17.275 1.00 0.00 WAT +ATOM 43191 H1 TIP3 12294 31.619 -31.625 17.444 1.00 0.00 WAT +ATOM 43192 H2 TIP3 12294 30.617 -32.581 18.004 1.00 0.00 WAT +ATOM 43193 OH2 TIP3 12295 31.163 -33.975 19.247 1.00 0.00 WAT +ATOM 43194 H1 TIP3 12295 30.499 -34.548 19.678 1.00 0.00 WAT +ATOM 43195 H2 TIP3 12295 31.851 -33.870 19.932 1.00 0.00 WAT +ATOM 43196 OH2 TIP3 12296 30.892 -31.507 24.256 1.00 0.00 WAT +ATOM 43197 H1 TIP3 12296 31.504 -31.968 23.662 1.00 0.00 WAT +ATOM 43198 H2 TIP3 12296 30.985 -30.586 23.960 1.00 0.00 WAT +ATOM 43199 OH2 TIP3 12297 29.610 -28.610 26.507 1.00 0.00 WAT +ATOM 43200 H1 TIP3 12297 28.893 -28.149 26.976 1.00 0.00 WAT +ATOM 43201 H2 TIP3 12297 29.160 -28.926 25.702 1.00 0.00 WAT +ATOM 43202 OH2 TIP3 12298 31.431 -34.540 15.831 1.00 0.00 WAT +ATOM 43203 H1 TIP3 12298 30.914 -34.260 15.052 1.00 0.00 WAT +ATOM 43204 H2 TIP3 12298 31.288 -33.788 16.426 1.00 0.00 WAT +ATOM 43205 OH2 TIP3 12299 29.708 -36.989 14.088 1.00 0.00 WAT +ATOM 43206 H1 TIP3 12299 29.964 -36.386 13.377 1.00 0.00 WAT +ATOM 43207 H2 TIP3 12299 29.444 -37.790 13.599 1.00 0.00 WAT +ATOM 43208 OH2 TIP3 12300 29.124 -35.842 20.080 1.00 0.00 WAT +ATOM 43209 H1 TIP3 12300 29.028 -36.788 19.879 1.00 0.00 WAT +ATOM 43210 H2 TIP3 12300 28.715 -35.766 20.964 1.00 0.00 WAT +ATOM 43211 OH2 TIP3 12301 13.945 -33.606 23.768 1.00 0.00 WAT +ATOM 43212 H1 TIP3 12301 14.211 -33.640 22.832 1.00 0.00 WAT +ATOM 43213 H2 TIP3 12301 14.791 -33.850 24.204 1.00 0.00 WAT +ATOM 43214 OH2 TIP3 12302 30.648 -35.838 30.214 1.00 0.00 WAT +ATOM 43215 H1 TIP3 12302 30.424 -36.528 29.575 1.00 0.00 WAT +ATOM 43216 H2 TIP3 12302 31.605 -36.009 30.303 1.00 0.00 WAT +ATOM 43217 OH2 TIP3 12303 29.113 -39.683 13.263 1.00 0.00 WAT +ATOM 43218 H1 TIP3 12303 29.693 -40.132 13.901 1.00 0.00 WAT +ATOM 43219 H2 TIP3 12303 28.287 -40.180 13.336 1.00 0.00 WAT +ATOM 43220 OH2 TIP3 12304 28.942 -38.266 18.271 1.00 0.00 WAT +ATOM 43221 H1 TIP3 12304 29.106 -39.237 18.318 1.00 0.00 WAT +ATOM 43222 H2 TIP3 12304 29.762 -37.975 17.835 1.00 0.00 WAT +ATOM 43223 OH2 TIP3 12305 29.190 -37.736 23.658 1.00 0.00 WAT +ATOM 43224 H1 TIP3 12305 30.166 -37.674 23.633 1.00 0.00 WAT +ATOM 43225 H2 TIP3 12305 29.045 -37.763 24.616 1.00 0.00 WAT +ATOM 43226 OH2 TIP3 12306 29.326 -37.016 26.572 1.00 0.00 WAT +ATOM 43227 H1 TIP3 12306 28.506 -36.597 26.869 1.00 0.00 WAT +ATOM 43228 H2 TIP3 12306 29.848 -36.253 26.259 1.00 0.00 WAT +ATOM 43229 OH2 TIP3 12307 13.858 -38.361 30.186 1.00 0.00 WAT +ATOM 43230 H1 TIP3 12307 14.792 -38.596 30.072 1.00 0.00 WAT +ATOM 43231 H2 TIP3 12307 13.436 -39.232 30.215 1.00 0.00 WAT +ATOM 43232 OH2 TIP3 12308 31.461 -42.752 32.247 1.00 0.00 WAT +ATOM 43233 H1 TIP3 12308 32.055 -43.493 32.071 1.00 0.00 WAT +ATOM 43234 H2 TIP3 12308 31.545 -42.150 31.473 1.00 0.00 WAT +ATOM 43235 OH2 TIP3 12309 29.227 -40.982 18.342 1.00 0.00 WAT +ATOM 43236 H1 TIP3 12309 29.454 -41.499 19.126 1.00 0.00 WAT +ATOM 43237 H2 TIP3 12309 28.606 -41.586 17.892 1.00 0.00 WAT +ATOM 43238 OH2 TIP3 12310 14.883 -39.910 23.122 1.00 0.00 WAT +ATOM 43239 H1 TIP3 12310 15.268 -40.805 23.246 1.00 0.00 WAT +ATOM 43240 H2 TIP3 12310 15.676 -39.402 23.364 1.00 0.00 WAT +ATOM 43241 OH2 TIP3 12311 13.151 -37.214 23.895 1.00 0.00 WAT +ATOM 43242 H1 TIP3 12311 13.875 -37.433 23.284 1.00 0.00 WAT +ATOM 43243 H2 TIP3 12311 13.585 -36.538 24.430 1.00 0.00 WAT +ATOM 43244 OH2 TIP3 12312 31.306 -41.064 30.103 1.00 0.00 WAT +ATOM 43245 H1 TIP3 12312 30.445 -40.608 30.096 1.00 0.00 WAT +ATOM 43246 H2 TIP3 12312 31.272 -41.456 29.214 1.00 0.00 WAT +ATOM 43247 OH2 TIP3 12313 31.374 -40.590 14.978 1.00 0.00 WAT +ATOM 43248 H1 TIP3 12313 31.542 -41.426 14.492 1.00 0.00 WAT +ATOM 43249 H2 TIP3 12313 32.230 -40.142 14.939 1.00 0.00 WAT +ATOM 43250 OH2 TIP3 12314 13.692 -41.069 17.995 1.00 0.00 WAT +ATOM 43251 H1 TIP3 12314 12.745 -40.900 17.864 1.00 0.00 WAT +ATOM 43252 H2 TIP3 12314 14.112 -40.347 17.480 1.00 0.00 WAT +ATOM 43253 OH2 TIP3 12315 28.285 -25.636 20.163 1.00 0.00 WAT +ATOM 43254 H1 TIP3 12315 28.771 -25.924 19.373 1.00 0.00 WAT +ATOM 43255 H2 TIP3 12315 28.995 -25.336 20.743 1.00 0.00 WAT +ATOM 43256 OH2 TIP3 12316 13.623 -41.487 26.534 1.00 0.00 WAT +ATOM 43257 H1 TIP3 12316 13.026 -42.186 26.838 1.00 0.00 WAT +ATOM 43258 H2 TIP3 12316 13.272 -41.281 25.651 1.00 0.00 WAT +ATOM 43259 OH2 TIP3 12317 15.702 -28.986 30.927 1.00 0.00 WAT +ATOM 43260 H1 TIP3 12317 15.001 -28.998 30.259 1.00 0.00 WAT +ATOM 43261 H2 TIP3 12317 15.200 -28.984 31.752 1.00 0.00 WAT +ATOM 43262 OH2 TIP3 12318 18.542 -27.968 26.584 1.00 0.00 WAT +ATOM 43263 H1 TIP3 12318 18.232 -27.120 26.219 1.00 0.00 WAT +ATOM 43264 H2 TIP3 12318 19.499 -27.884 26.398 1.00 0.00 WAT +ATOM 43265 OH2 TIP3 12319 23.036 -26.690 29.583 1.00 0.00 WAT +ATOM 43266 H1 TIP3 12319 23.214 -26.839 30.524 1.00 0.00 WAT +ATOM 43267 H2 TIP3 12319 23.853 -26.222 29.306 1.00 0.00 WAT +ATOM 43268 OH2 TIP3 12320 25.303 -25.260 28.850 1.00 0.00 WAT +ATOM 43269 H1 TIP3 12320 26.006 -25.858 28.555 1.00 0.00 WAT +ATOM 43270 H2 TIP3 12320 25.699 -24.896 29.664 1.00 0.00 WAT +ATOM 43271 OH2 TIP3 12321 29.919 -42.756 28.038 1.00 0.00 WAT +ATOM 43272 H1 TIP3 12321 29.415 -42.141 27.477 1.00 0.00 WAT +ATOM 43273 H2 TIP3 12321 30.133 -43.434 27.377 1.00 0.00 WAT +ATOM 43274 OH2 TIP3 12322 15.921 -25.021 26.908 1.00 0.00 WAT +ATOM 43275 H1 TIP3 12322 15.319 -24.401 26.458 1.00 0.00 WAT +ATOM 43276 H2 TIP3 12322 15.567 -24.988 27.805 1.00 0.00 WAT +ATOM 43277 OH2 TIP3 12323 18.415 -25.247 25.465 1.00 0.00 WAT +ATOM 43278 H1 TIP3 12323 17.555 -25.069 25.896 1.00 0.00 WAT +ATOM 43279 H2 TIP3 12323 18.437 -24.569 24.767 1.00 0.00 WAT +ATOM 43280 OH2 TIP3 12324 23.167 -25.267 25.024 1.00 0.00 WAT +ATOM 43281 H1 TIP3 12324 22.786 -24.821 24.246 1.00 0.00 WAT +ATOM 43282 H2 TIP3 12324 23.255 -24.521 25.648 1.00 0.00 WAT +ATOM 43283 OH2 TIP3 12325 25.560 -26.499 25.928 1.00 0.00 WAT +ATOM 43284 H1 TIP3 12325 24.716 -26.143 25.593 1.00 0.00 WAT +ATOM 43285 H2 TIP3 12325 26.125 -25.709 25.912 1.00 0.00 WAT +ATOM 43286 OH2 TIP3 12326 28.045 -24.897 26.274 1.00 0.00 WAT +ATOM 43287 H1 TIP3 12326 28.169 -23.930 26.237 1.00 0.00 WAT +ATOM 43288 H2 TIP3 12326 28.419 -25.162 25.420 1.00 0.00 WAT +ATOM 43289 OH2 TIP3 12327 15.499 -26.228 23.851 1.00 0.00 WAT +ATOM 43290 H1 TIP3 12327 15.475 -26.726 24.698 1.00 0.00 WAT +ATOM 43291 H2 TIP3 12327 16.252 -26.668 23.407 1.00 0.00 WAT +ATOM 43292 OH2 TIP3 12328 17.508 -27.474 22.302 1.00 0.00 WAT +ATOM 43293 H1 TIP3 12328 17.362 -28.410 22.550 1.00 0.00 WAT +ATOM 43294 H2 TIP3 12328 18.428 -27.329 22.598 1.00 0.00 WAT +ATOM 43295 OH2 TIP3 12329 20.277 -27.011 23.174 1.00 0.00 WAT +ATOM 43296 H1 TIP3 12329 20.465 -27.939 22.947 1.00 0.00 WAT +ATOM 43297 H2 TIP3 12329 20.338 -27.049 24.141 1.00 0.00 WAT +ATOM 43298 OH2 TIP3 12330 23.572 -41.081 22.510 1.00 0.00 WAT +ATOM 43299 H1 TIP3 12330 22.884 -41.717 22.772 1.00 0.00 WAT +ATOM 43300 H2 TIP3 12330 24.053 -41.560 21.821 1.00 0.00 WAT +ATOM 43301 OH2 TIP3 12331 28.841 -43.282 22.940 1.00 0.00 WAT +ATOM 43302 H1 TIP3 12331 29.440 -42.893 22.280 1.00 0.00 WAT +ATOM 43303 H2 TIP3 12331 27.969 -43.062 22.583 1.00 0.00 WAT +ATOM 43304 OH2 TIP3 12332 30.840 -42.258 20.766 1.00 0.00 WAT +ATOM 43305 H1 TIP3 12332 31.338 -42.457 19.967 1.00 0.00 WAT +ATOM 43306 H2 TIP3 12332 30.988 -41.299 20.865 1.00 0.00 WAT +ATOM 43307 OH2 TIP3 12333 15.898 -42.805 19.757 1.00 0.00 WAT +ATOM 43308 H1 TIP3 12333 15.000 -43.103 19.586 1.00 0.00 WAT +ATOM 43309 H2 TIP3 12333 16.324 -43.575 20.139 1.00 0.00 WAT +ATOM 43310 OH2 TIP3 12334 14.484 -42.907 16.016 1.00 0.00 WAT +ATOM 43311 H1 TIP3 12334 14.979 -42.432 15.323 1.00 0.00 WAT +ATOM 43312 H2 TIP3 12334 14.170 -42.166 16.568 1.00 0.00 WAT +ATOM 43313 OH2 TIP3 12335 20.552 -42.482 19.832 1.00 0.00 WAT +ATOM 43314 H1 TIP3 12335 21.496 -42.291 19.935 1.00 0.00 WAT +ATOM 43315 H2 TIP3 12335 20.299 -42.877 20.669 1.00 0.00 WAT +ATOM 43316 OH2 TIP3 12336 26.068 -42.674 21.455 1.00 0.00 WAT +ATOM 43317 H1 TIP3 12336 26.266 -42.588 20.515 1.00 0.00 WAT +ATOM 43318 H2 TIP3 12336 25.815 -43.602 21.550 1.00 0.00 WAT +ATOM 43319 OH2 TIP3 12337 27.089 -42.725 17.360 1.00 0.00 WAT +ATOM 43320 H1 TIP3 12337 26.341 -42.115 17.189 1.00 0.00 WAT +ATOM 43321 H2 TIP3 12337 26.665 -43.591 17.338 1.00 0.00 WAT +ATOM 43322 OH2 TIP3 12338 14.922 -26.961 17.081 1.00 0.00 WAT +ATOM 43323 H1 TIP3 12338 14.305 -27.074 16.341 1.00 0.00 WAT +ATOM 43324 H2 TIP3 12338 14.921 -25.996 17.154 1.00 0.00 WAT +ATOM 43325 OH2 TIP3 12339 16.439 -41.260 14.472 1.00 0.00 WAT +ATOM 43326 H1 TIP3 12339 17.154 -41.595 13.903 1.00 0.00 WAT +ATOM 43327 H2 TIP3 12339 16.957 -40.749 15.125 1.00 0.00 WAT +ATOM 43328 OH2 TIP3 12340 21.700 -40.592 16.726 1.00 0.00 WAT +ATOM 43329 H1 TIP3 12340 21.739 -41.458 17.177 1.00 0.00 WAT +ATOM 43330 H2 TIP3 12340 21.795 -39.939 17.444 1.00 0.00 WAT +ATOM 43331 OH2 TIP3 12341 23.622 -25.136 15.210 1.00 0.00 WAT +ATOM 43332 H1 TIP3 12341 24.595 -25.124 15.148 1.00 0.00 WAT +ATOM 43333 H2 TIP3 12341 23.411 -25.781 14.516 1.00 0.00 WAT +ATOM 43334 OH2 TIP3 12342 30.138 -26.107 17.775 1.00 0.00 WAT +ATOM 43335 H1 TIP3 12342 29.890 -26.954 17.349 1.00 0.00 WAT +ATOM 43336 H2 TIP3 12342 30.063 -25.493 17.027 1.00 0.00 WAT +ATOM 43337 OH2 TIP3 12343 15.520 -41.802 29.275 1.00 0.00 WAT +ATOM 43338 H1 TIP3 12343 15.130 -42.588 29.683 1.00 0.00 WAT +ATOM 43339 H2 TIP3 12343 16.406 -42.140 29.088 1.00 0.00 WAT +ATOM 43340 OH2 TIP3 12344 18.491 -42.782 31.904 1.00 0.00 WAT +ATOM 43341 H1 TIP3 12344 19.351 -43.057 31.512 1.00 0.00 WAT +ATOM 43342 H2 TIP3 12344 18.229 -43.584 32.370 1.00 0.00 WAT +ATOM 43343 OH2 TIP3 12345 16.357 -26.052 13.875 1.00 0.00 WAT +ATOM 43344 H1 TIP3 12345 16.153 -25.720 14.761 1.00 0.00 WAT +ATOM 43345 H2 TIP3 12345 17.163 -26.574 14.021 1.00 0.00 WAT +ATOM 43346 OH2 TIP3 12346 29.614 -27.177 30.260 1.00 0.00 WAT +ATOM 43347 H1 TIP3 12346 28.907 -27.281 29.595 1.00 0.00 WAT +ATOM 43348 H2 TIP3 12346 29.769 -26.220 30.250 1.00 0.00 WAT +ATOM 43349 OH2 TIP3 12347 42.132 -34.584 23.439 1.00 0.00 WAT +ATOM 43350 H1 TIP3 12347 42.914 -34.297 23.947 1.00 0.00 WAT +ATOM 43351 H2 TIP3 12347 42.476 -34.586 22.538 1.00 0.00 WAT +ATOM 43352 OH2 TIP3 12348 35.145 -34.638 25.047 1.00 0.00 WAT +ATOM 43353 H1 TIP3 12348 35.149 -35.385 25.674 1.00 0.00 WAT +ATOM 43354 H2 TIP3 12348 35.875 -34.101 25.385 1.00 0.00 WAT +ATOM 43355 OH2 TIP3 12349 35.820 -29.992 23.518 1.00 0.00 WAT +ATOM 43356 H1 TIP3 12349 35.570 -30.909 23.279 1.00 0.00 WAT +ATOM 43357 H2 TIP3 12349 36.745 -30.133 23.767 1.00 0.00 WAT +ATOM 43358 OH2 TIP3 12350 32.793 -36.618 18.930 1.00 0.00 WAT +ATOM 43359 H1 TIP3 12350 32.408 -35.731 19.012 1.00 0.00 WAT +ATOM 43360 H2 TIP3 12350 32.067 -37.102 18.517 1.00 0.00 WAT +ATOM 43361 OH2 TIP3 12351 33.608 -34.138 20.777 1.00 0.00 WAT +ATOM 43362 H1 TIP3 12351 33.754 -34.970 21.267 1.00 0.00 WAT +ATOM 43363 H2 TIP3 12351 34.446 -34.040 20.306 1.00 0.00 WAT +ATOM 43364 OH2 TIP3 12352 41.197 -31.715 24.042 1.00 0.00 WAT +ATOM 43365 H1 TIP3 12352 41.458 -32.453 23.466 1.00 0.00 WAT +ATOM 43366 H2 TIP3 12352 42.038 -31.505 24.467 1.00 0.00 WAT +ATOM 43367 OH2 TIP3 12353 37.418 -39.415 21.546 1.00 0.00 WAT +ATOM 43368 H1 TIP3 12353 37.586 -38.559 21.104 1.00 0.00 WAT +ATOM 43369 H2 TIP3 12353 37.078 -39.931 20.788 1.00 0.00 WAT +ATOM 43370 OH2 TIP3 12354 34.115 -36.629 22.023 1.00 0.00 WAT +ATOM 43371 H1 TIP3 12354 34.734 -37.111 22.593 1.00 0.00 WAT +ATOM 43372 H2 TIP3 12354 34.197 -37.119 21.186 1.00 0.00 WAT +ATOM 43373 OH2 TIP3 12355 39.511 -35.285 21.505 1.00 0.00 WAT +ATOM 43374 H1 TIP3 12355 40.271 -35.799 21.848 1.00 0.00 WAT +ATOM 43375 H2 TIP3 12355 39.023 -35.980 21.030 1.00 0.00 WAT +ATOM 43376 OH2 TIP3 12356 36.199 -40.555 25.726 1.00 0.00 WAT +ATOM 43377 H1 TIP3 12356 35.879 -40.015 24.985 1.00 0.00 WAT +ATOM 43378 H2 TIP3 12356 35.532 -40.333 26.405 1.00 0.00 WAT +ATOM 43379 OH2 TIP3 12357 39.150 -32.753 25.826 1.00 0.00 WAT +ATOM 43380 H1 TIP3 12357 38.427 -32.141 26.074 1.00 0.00 WAT +ATOM 43381 H2 TIP3 12357 39.807 -32.148 25.436 1.00 0.00 WAT +ATOM 43382 OH2 TIP3 12358 35.837 -38.565 23.638 1.00 0.00 WAT +ATOM 43383 H1 TIP3 12358 36.469 -37.953 24.073 1.00 0.00 WAT +ATOM 43384 H2 TIP3 12358 36.403 -38.902 22.908 1.00 0.00 WAT +ATOM 43385 OH2 TIP3 12359 37.146 -30.836 26.528 1.00 0.00 WAT +ATOM 43386 H1 TIP3 12359 37.138 -29.913 26.215 1.00 0.00 WAT +ATOM 43387 H2 TIP3 12359 36.276 -30.861 26.975 1.00 0.00 WAT +ATOM 43388 OH2 TIP3 12360 33.476 -31.117 17.411 1.00 0.00 WAT +ATOM 43389 H1 TIP3 12360 33.266 -30.617 16.605 1.00 0.00 WAT +ATOM 43390 H2 TIP3 12360 33.637 -30.417 18.078 1.00 0.00 WAT +ATOM 43391 OH2 TIP3 12361 40.462 43.789 22.908 1.00 0.00 WAT +ATOM 43392 H1 TIP3 12361 40.447 42.834 23.059 1.00 0.00 WAT +ATOM 43393 H2 TIP3 12361 39.601 44.098 23.251 1.00 0.00 WAT +ATOM 43394 OH2 TIP3 12362 42.640 -34.328 17.433 1.00 0.00 WAT +ATOM 43395 H1 TIP3 12362 41.985 -33.613 17.320 1.00 0.00 WAT +ATOM 43396 H2 TIP3 12362 43.340 -34.032 16.847 1.00 0.00 WAT +ATOM 43397 OH2 TIP3 12363 42.875 -35.823 14.637 1.00 0.00 WAT +ATOM 43398 H1 TIP3 12363 43.689 -35.821 15.163 1.00 0.00 WAT +ATOM 43399 H2 TIP3 12363 42.972 -36.599 14.078 1.00 0.00 WAT +ATOM 43400 OH2 TIP3 12364 37.581 -33.392 20.420 1.00 0.00 WAT +ATOM 43401 H1 TIP3 12364 37.276 -33.824 19.598 1.00 0.00 WAT +ATOM 43402 H2 TIP3 12364 38.235 -34.033 20.754 1.00 0.00 WAT +ATOM 43403 OH2 TIP3 12365 38.981 -29.991 23.162 1.00 0.00 WAT +ATOM 43404 H1 TIP3 12365 38.882 -30.402 22.294 1.00 0.00 WAT +ATOM 43405 H2 TIP3 12365 39.770 -30.448 23.510 1.00 0.00 WAT +ATOM 43406 OH2 TIP3 12366 38.157 -34.570 23.898 1.00 0.00 WAT +ATOM 43407 H1 TIP3 12366 38.756 -34.581 23.124 1.00 0.00 WAT +ATOM 43408 H2 TIP3 12366 38.579 -33.908 24.479 1.00 0.00 WAT +ATOM 43409 OH2 TIP3 12367 39.024 -30.225 28.731 1.00 0.00 WAT +ATOM 43410 H1 TIP3 12367 38.505 -29.552 29.210 1.00 0.00 WAT +ATOM 43411 H2 TIP3 12367 38.396 -30.481 28.030 1.00 0.00 WAT +ATOM 43412 OH2 TIP3 12368 35.955 -33.901 27.898 1.00 0.00 WAT +ATOM 43413 H1 TIP3 12368 35.997 -33.267 28.638 1.00 0.00 WAT +ATOM 43414 H2 TIP3 12368 34.997 -33.946 27.738 1.00 0.00 WAT +ATOM 43415 OH2 TIP3 12369 42.506 -28.146 19.600 1.00 0.00 WAT +ATOM 43416 H1 TIP3 12369 42.990 -27.654 20.284 1.00 0.00 WAT +ATOM 43417 H2 TIP3 12369 41.986 -27.451 19.178 1.00 0.00 WAT +ATOM 43418 OH2 TIP3 12370 37.135 -28.108 29.537 1.00 0.00 WAT +ATOM 43419 H1 TIP3 12370 37.022 -28.016 28.574 1.00 0.00 WAT +ATOM 43420 H2 TIP3 12370 36.222 -28.246 29.837 1.00 0.00 WAT +ATOM 43421 OH2 TIP3 12371 36.491 -34.632 17.955 1.00 0.00 WAT +ATOM 43422 H1 TIP3 12371 36.301 -33.871 17.378 1.00 0.00 WAT +ATOM 43423 H2 TIP3 12371 35.833 -35.274 17.659 1.00 0.00 WAT +ATOM 43424 OH2 TIP3 12372 32.573 -31.953 26.661 1.00 0.00 WAT +ATOM 43425 H1 TIP3 12372 32.132 -31.944 25.788 1.00 0.00 WAT +ATOM 43426 H2 TIP3 12372 32.694 -32.906 26.819 1.00 0.00 WAT +ATOM 43427 OH2 TIP3 12373 32.616 -29.021 23.587 1.00 0.00 WAT +ATOM 43428 H1 TIP3 12373 33.539 -29.303 23.679 1.00 0.00 WAT +ATOM 43429 H2 TIP3 12373 32.525 -28.423 24.343 1.00 0.00 WAT +ATOM 43430 OH2 TIP3 12374 41.727 -29.211 28.232 1.00 0.00 WAT +ATOM 43431 H1 TIP3 12374 41.799 -28.325 28.614 1.00 0.00 WAT +ATOM 43432 H2 TIP3 12374 40.816 -29.480 28.449 1.00 0.00 WAT +ATOM 43433 OH2 TIP3 12375 41.757 -25.331 18.113 1.00 0.00 WAT +ATOM 43434 H1 TIP3 12375 42.068 -25.376 17.198 1.00 0.00 WAT +ATOM 43435 H2 TIP3 12375 42.118 -24.501 18.445 1.00 0.00 WAT +ATOM 43436 OH2 TIP3 12376 35.729 -26.220 19.785 1.00 0.00 WAT +ATOM 43437 H1 TIP3 12376 35.886 -26.694 20.630 1.00 0.00 WAT +ATOM 43438 H2 TIP3 12376 34.917 -26.651 19.481 1.00 0.00 WAT +ATOM 43439 OH2 TIP3 12377 34.772 -30.439 27.888 1.00 0.00 WAT +ATOM 43440 H1 TIP3 12377 35.005 -30.895 28.719 1.00 0.00 WAT +ATOM 43441 H2 TIP3 12377 33.990 -30.930 27.576 1.00 0.00 WAT +ATOM 43442 OH2 TIP3 12378 37.951 -42.194 23.821 1.00 0.00 WAT +ATOM 43443 H1 TIP3 12378 37.105 -42.379 23.394 1.00 0.00 WAT +ATOM 43444 H2 TIP3 12378 37.761 -41.347 24.250 1.00 0.00 WAT +ATOM 43445 OH2 TIP3 12379 42.233 -42.908 27.434 1.00 0.00 WAT +ATOM 43446 H1 TIP3 12379 42.511 -43.560 28.119 1.00 0.00 WAT +ATOM 43447 H2 TIP3 12379 41.307 -42.792 27.681 1.00 0.00 WAT +ATOM 43448 OH2 TIP3 12380 42.274 -39.906 14.642 1.00 0.00 WAT +ATOM 43449 H1 TIP3 12380 41.610 -40.033 15.341 1.00 0.00 WAT +ATOM 43450 H2 TIP3 12380 41.890 -40.499 13.964 1.00 0.00 WAT +ATOM 43451 OH2 TIP3 12381 37.781 -37.145 25.088 1.00 0.00 WAT +ATOM 43452 H1 TIP3 12381 37.181 -37.015 25.840 1.00 0.00 WAT +ATOM 43453 H2 TIP3 12381 37.877 -36.236 24.729 1.00 0.00 WAT +ATOM 43454 OH2 TIP3 12382 37.743 -37.105 19.988 1.00 0.00 WAT +ATOM 43455 H1 TIP3 12382 36.786 -37.173 19.821 1.00 0.00 WAT +ATOM 43456 H2 TIP3 12382 38.091 -37.255 19.087 1.00 0.00 WAT +ATOM 43457 OH2 TIP3 12383 42.935 -36.823 18.872 1.00 0.00 WAT +ATOM 43458 H1 TIP3 12383 42.665 -35.892 18.754 1.00 0.00 WAT +ATOM 43459 H2 TIP3 12383 43.174 -37.071 17.976 1.00 0.00 WAT +ATOM 43460 OH2 TIP3 12384 42.500 -36.264 30.292 1.00 0.00 WAT +ATOM 43461 H1 TIP3 12384 41.934 -37.059 30.414 1.00 0.00 WAT +ATOM 43462 H2 TIP3 12384 43.372 -36.704 30.324 1.00 0.00 WAT +ATOM 43463 OH2 TIP3 12385 35.168 -36.965 26.924 1.00 0.00 WAT +ATOM 43464 H1 TIP3 12385 35.466 -36.688 27.797 1.00 0.00 WAT +ATOM 43465 H2 TIP3 12385 34.782 -37.842 27.119 1.00 0.00 WAT +ATOM 43466 OH2 TIP3 12386 38.607 -39.388 13.517 1.00 0.00 WAT +ATOM 43467 H1 TIP3 12386 38.208 -39.778 14.314 1.00 0.00 WAT +ATOM 43468 H2 TIP3 12386 37.844 -39.239 12.943 1.00 0.00 WAT +ATOM 43469 OH2 TIP3 12387 31.968 -39.556 20.566 1.00 0.00 WAT +ATOM 43470 H1 TIP3 12387 32.551 -39.567 21.349 1.00 0.00 WAT +ATOM 43471 H2 TIP3 12387 32.516 -39.930 19.865 1.00 0.00 WAT +ATOM 43472 OH2 TIP3 12388 33.579 -39.104 16.288 1.00 0.00 WAT +ATOM 43473 H1 TIP3 12388 34.107 -38.600 15.636 1.00 0.00 WAT +ATOM 43474 H2 TIP3 12388 32.857 -38.469 16.457 1.00 0.00 WAT +ATOM 43475 OH2 TIP3 12389 43.500 -35.723 26.342 1.00 0.00 WAT +ATOM 43476 H1 TIP3 12389 43.798 -36.376 25.674 1.00 0.00 WAT +ATOM 43477 H2 TIP3 12389 42.723 -36.173 26.693 1.00 0.00 WAT +ATOM 43478 OH2 TIP3 12390 40.472 -39.719 20.966 1.00 0.00 WAT +ATOM 43479 H1 TIP3 12390 39.553 -39.626 21.260 1.00 0.00 WAT +ATOM 43480 H2 TIP3 12390 40.949 -39.566 21.799 1.00 0.00 WAT +ATOM 43481 OH2 TIP3 12391 35.075 -38.270 19.684 1.00 0.00 WAT +ATOM 43482 H1 TIP3 12391 34.271 -37.984 19.214 1.00 0.00 WAT +ATOM 43483 H2 TIP3 12391 35.347 -39.076 19.204 1.00 0.00 WAT +ATOM 43484 OH2 TIP3 12392 38.645 -37.909 17.359 1.00 0.00 WAT +ATOM 43485 H1 TIP3 12392 39.615 -37.882 17.414 1.00 0.00 WAT +ATOM 43486 H2 TIP3 12392 38.434 -37.307 16.622 1.00 0.00 WAT +ATOM 43487 OH2 TIP3 12393 37.221 -36.700 15.108 1.00 0.00 WAT +ATOM 43488 H1 TIP3 12393 36.619 -36.938 14.385 1.00 0.00 WAT +ATOM 43489 H2 TIP3 12393 38.040 -36.530 14.613 1.00 0.00 WAT +ATOM 43490 OH2 TIP3 12394 35.755 -32.042 30.138 1.00 0.00 WAT +ATOM 43491 H1 TIP3 12394 36.478 -31.928 30.791 1.00 0.00 WAT +ATOM 43492 H2 TIP3 12394 35.006 -31.759 30.684 1.00 0.00 WAT +ATOM 43493 OH2 TIP3 12395 41.408 -37.358 22.388 1.00 0.00 WAT +ATOM 43494 H1 TIP3 12395 42.204 -37.704 21.966 1.00 0.00 WAT +ATOM 43495 H2 TIP3 12395 41.639 -37.429 23.329 1.00 0.00 WAT +ATOM 43496 OH2 TIP3 12396 36.677 -40.664 19.071 1.00 0.00 WAT +ATOM 43497 H1 TIP3 12396 36.218 -41.517 19.170 1.00 0.00 WAT +ATOM 43498 H2 TIP3 12396 37.505 -40.923 18.643 1.00 0.00 WAT +ATOM 43499 OH2 TIP3 12397 40.479 -38.587 25.128 1.00 0.00 WAT +ATOM 43500 H1 TIP3 12397 39.794 -37.917 24.960 1.00 0.00 WAT +ATOM 43501 H2 TIP3 12397 41.010 -38.158 25.819 1.00 0.00 WAT +ATOM 43502 OH2 TIP3 12398 40.732 -32.253 17.011 1.00 0.00 WAT +ATOM 43503 H1 TIP3 12398 39.948 -32.707 16.639 1.00 0.00 WAT +ATOM 43504 H2 TIP3 12398 40.490 -32.142 17.960 1.00 0.00 WAT +ATOM 43505 OH2 TIP3 12399 42.049 -32.240 28.241 1.00 0.00 WAT +ATOM 43506 H1 TIP3 12399 41.842 -32.332 29.174 1.00 0.00 WAT +ATOM 43507 H2 TIP3 12399 42.135 -31.281 28.122 1.00 0.00 WAT +ATOM 43508 OH2 TIP3 12400 35.785 -32.709 22.787 1.00 0.00 WAT +ATOM 43509 H1 TIP3 12400 36.345 -32.807 21.998 1.00 0.00 WAT +ATOM 43510 H2 TIP3 12400 35.899 -33.571 23.217 1.00 0.00 WAT +ATOM 43511 OH2 TIP3 12401 42.866 -30.818 15.970 1.00 0.00 WAT +ATOM 43512 H1 TIP3 12401 42.595 -29.928 16.274 1.00 0.00 WAT +ATOM 43513 H2 TIP3 12401 42.111 -31.353 16.294 1.00 0.00 WAT +ATOM 43514 OH2 TIP3 12402 33.050 -34.429 28.030 1.00 0.00 WAT +ATOM 43515 H1 TIP3 12402 33.260 -34.913 28.847 1.00 0.00 WAT +ATOM 43516 H2 TIP3 12402 32.469 -35.037 27.544 1.00 0.00 WAT +ATOM 43517 OH2 TIP3 12403 40.013 -34.938 30.072 1.00 0.00 WAT +ATOM 43518 H1 TIP3 12403 39.672 -35.227 29.209 1.00 0.00 WAT +ATOM 43519 H2 TIP3 12403 40.956 -35.177 29.989 1.00 0.00 WAT +ATOM 43520 OH2 TIP3 12404 38.152 -29.429 20.027 1.00 0.00 WAT +ATOM 43521 H1 TIP3 12404 38.580 -28.566 19.922 1.00 0.00 WAT +ATOM 43522 H2 TIP3 12404 37.233 -29.223 19.818 1.00 0.00 WAT +ATOM 43523 OH2 TIP3 12405 34.155 -34.627 14.657 1.00 0.00 WAT +ATOM 43524 H1 TIP3 12405 34.727 -33.942 15.049 1.00 0.00 WAT +ATOM 43525 H2 TIP3 12405 33.277 -34.354 14.985 1.00 0.00 WAT +ATOM 43526 OH2 TIP3 12406 39.945 -31.742 19.638 1.00 0.00 WAT +ATOM 43527 H1 TIP3 12406 39.681 -30.822 19.803 1.00 0.00 WAT +ATOM 43528 H2 TIP3 12406 39.231 -32.227 20.080 1.00 0.00 WAT +ATOM 43529 OH2 TIP3 12407 40.196 -27.430 26.056 1.00 0.00 WAT +ATOM 43530 H1 TIP3 12407 40.781 -26.719 25.717 1.00 0.00 WAT +ATOM 43531 H2 TIP3 12407 40.833 -27.962 26.554 1.00 0.00 WAT +ATOM 43532 OH2 TIP3 12408 38.591 -26.518 19.241 1.00 0.00 WAT +ATOM 43533 H1 TIP3 12408 37.638 -26.368 19.355 1.00 0.00 WAT +ATOM 43534 H2 TIP3 12408 38.964 -25.654 19.494 1.00 0.00 WAT +ATOM 43535 OH2 TIP3 12409 34.348 -39.590 27.682 1.00 0.00 WAT +ATOM 43536 H1 TIP3 12409 33.439 -39.411 27.356 1.00 0.00 WAT +ATOM 43537 H2 TIP3 12409 34.195 -40.463 28.105 1.00 0.00 WAT +ATOM 43538 OH2 TIP3 12410 34.160 -28.018 26.043 1.00 0.00 WAT +ATOM 43539 H1 TIP3 12410 34.421 -28.923 26.266 1.00 0.00 WAT +ATOM 43540 H2 TIP3 12410 34.237 -27.593 26.907 1.00 0.00 WAT +ATOM 43541 OH2 TIP3 12411 39.932 -29.326 13.088 1.00 0.00 WAT +ATOM 43542 H1 TIP3 12411 40.285 -30.084 12.584 1.00 0.00 WAT +ATOM 43543 H2 TIP3 12411 39.568 -29.781 13.867 1.00 0.00 WAT +ATOM 43544 OH2 TIP3 12412 38.849 -29.901 15.845 1.00 0.00 WAT +ATOM 43545 H1 TIP3 12412 39.341 -30.406 16.506 1.00 0.00 WAT +ATOM 43546 H2 TIP3 12412 38.987 -28.979 16.144 1.00 0.00 WAT +ATOM 43547 OH2 TIP3 12413 35.659 -32.414 16.189 1.00 0.00 WAT +ATOM 43548 H1 TIP3 12413 34.932 -32.026 16.716 1.00 0.00 WAT +ATOM 43549 H2 TIP3 12413 36.135 -31.613 15.913 1.00 0.00 WAT +ATOM 43550 OH2 TIP3 12414 43.288 -39.324 26.792 1.00 0.00 WAT +ATOM 43551 H1 TIP3 12414 43.934 -40.045 26.669 1.00 0.00 WAT +ATOM 43552 H2 TIP3 12414 42.676 -39.604 26.095 1.00 0.00 WAT +ATOM 43553 OH2 TIP3 12415 41.687 -28.228 16.369 1.00 0.00 WAT +ATOM 43554 H1 TIP3 12415 40.882 -27.719 16.569 1.00 0.00 WAT +ATOM 43555 H2 TIP3 12415 42.092 -27.695 15.679 1.00 0.00 WAT +ATOM 43556 OH2 TIP3 12416 41.178 -38.791 18.470 1.00 0.00 WAT +ATOM 43557 H1 TIP3 12416 41.863 -38.132 18.718 1.00 0.00 WAT +ATOM 43558 H2 TIP3 12416 40.849 -39.002 19.370 1.00 0.00 WAT +ATOM 43559 OH2 TIP3 12417 41.486 -37.624 27.752 1.00 0.00 WAT +ATOM 43560 H1 TIP3 12417 41.851 -37.035 28.424 1.00 0.00 WAT +ATOM 43561 H2 TIP3 12417 42.204 -38.279 27.621 1.00 0.00 WAT +ATOM 43562 OH2 TIP3 12418 41.999 -41.708 19.681 1.00 0.00 WAT +ATOM 43563 H1 TIP3 12418 41.721 -40.853 20.074 1.00 0.00 WAT +ATOM 43564 H2 TIP3 12418 42.717 -41.448 19.078 1.00 0.00 WAT +ATOM 43565 OH2 TIP3 12419 38.938 -27.169 16.415 1.00 0.00 WAT +ATOM 43566 H1 TIP3 12419 38.896 -26.346 15.886 1.00 0.00 WAT +ATOM 43567 H2 TIP3 12419 38.816 -26.833 17.324 1.00 0.00 WAT +ATOM 43568 OH2 TIP3 12420 37.664 -40.506 15.951 1.00 0.00 WAT +ATOM 43569 H1 TIP3 12420 37.670 -39.672 16.455 1.00 0.00 WAT +ATOM 43570 H2 TIP3 12420 38.565 -40.832 16.140 1.00 0.00 WAT +ATOM 43571 OH2 TIP3 12421 36.113 -29.591 14.954 1.00 0.00 WAT +ATOM 43572 H1 TIP3 12421 36.855 -29.121 15.371 1.00 0.00 WAT +ATOM 43573 H2 TIP3 12421 36.603 -30.107 14.294 1.00 0.00 WAT +ATOM 43574 OH2 TIP3 12422 34.231 -37.447 14.085 1.00 0.00 WAT +ATOM 43575 H1 TIP3 12422 34.354 -36.502 14.297 1.00 0.00 WAT +ATOM 43576 H2 TIP3 12422 33.376 -37.438 13.632 1.00 0.00 WAT +ATOM 43577 OH2 TIP3 12423 34.427 -42.414 23.058 1.00 0.00 WAT +ATOM 43578 H1 TIP3 12423 34.762 -42.410 22.152 1.00 0.00 WAT +ATOM 43579 H2 TIP3 12423 34.590 -43.346 23.278 1.00 0.00 WAT +ATOM 43580 OH2 TIP3 12424 34.049 -28.900 19.132 1.00 0.00 WAT +ATOM 43581 H1 TIP3 12424 33.276 -28.384 19.396 1.00 0.00 WAT +ATOM 43582 H2 TIP3 12424 34.415 -28.363 18.413 1.00 0.00 WAT +ATOM 43583 OH2 TIP3 12425 33.757 -26.297 30.176 1.00 0.00 WAT +ATOM 43584 H1 TIP3 12425 33.909 -26.131 31.121 1.00 0.00 WAT +ATOM 43585 H2 TIP3 12425 32.859 -26.650 30.162 1.00 0.00 WAT +ATOM 43586 OH2 TIP3 12426 38.154 -26.934 32.076 1.00 0.00 WAT +ATOM 43587 H1 TIP3 12426 38.830 -27.603 32.267 1.00 0.00 WAT +ATOM 43588 H2 TIP3 12426 37.906 -27.177 31.170 1.00 0.00 WAT +ATOM 43589 OH2 TIP3 12427 42.298 -27.683 13.421 1.00 0.00 WAT +ATOM 43590 H1 TIP3 12427 41.474 -28.213 13.408 1.00 0.00 WAT +ATOM 43591 H2 TIP3 12427 42.942 -28.398 13.271 1.00 0.00 WAT +ATOM 43592 OH2 TIP3 12428 33.145 -32.474 31.504 1.00 0.00 WAT +ATOM 43593 H1 TIP3 12428 33.491 -33.221 30.996 1.00 0.00 WAT +ATOM 43594 H2 TIP3 12428 32.562 -32.043 30.846 1.00 0.00 WAT +ATOM 43595 OH2 TIP3 12429 37.627 -31.918 13.422 1.00 0.00 WAT +ATOM 43596 H1 TIP3 12429 37.795 -32.519 14.167 1.00 0.00 WAT +ATOM 43597 H2 TIP3 12429 38.481 -31.963 12.952 1.00 0.00 WAT +ATOM 43598 OH2 TIP3 12430 40.080 -32.139 30.728 1.00 0.00 WAT +ATOM 43599 H1 TIP3 12430 39.789 -31.810 29.859 1.00 0.00 WAT +ATOM 43600 H2 TIP3 12430 40.150 -33.105 30.582 1.00 0.00 WAT +ATOM 43601 OH2 TIP3 12431 42.599 -30.596 12.976 1.00 0.00 WAT +ATOM 43602 H1 TIP3 12431 42.781 -30.501 13.928 1.00 0.00 WAT +ATOM 43603 H2 TIP3 12431 42.442 -31.553 12.914 1.00 0.00 WAT +ATOM 43604 OH2 TIP3 12432 34.112 -35.326 30.627 1.00 0.00 WAT +ATOM 43605 H1 TIP3 12432 34.924 -35.864 30.553 1.00 0.00 WAT +ATOM 43606 H2 TIP3 12432 34.222 -34.989 31.533 1.00 0.00 WAT +ATOM 43607 OH2 TIP3 12433 38.703 -33.863 15.733 1.00 0.00 WAT +ATOM 43608 H1 TIP3 12433 38.089 -34.368 16.285 1.00 0.00 WAT +ATOM 43609 H2 TIP3 12433 39.024 -34.554 15.120 1.00 0.00 WAT +ATOM 43610 OH2 TIP3 12434 37.949 -36.048 28.035 1.00 0.00 WAT +ATOM 43611 H1 TIP3 12434 37.393 -35.259 28.184 1.00 0.00 WAT +ATOM 43612 H2 TIP3 12434 38.540 -35.741 27.328 1.00 0.00 WAT +ATOM 43613 OH2 TIP3 12435 39.785 -35.852 14.043 1.00 0.00 WAT +ATOM 43614 H1 TIP3 12435 39.691 -35.791 13.075 1.00 0.00 WAT +ATOM 43615 H2 TIP3 12435 40.743 -35.732 14.150 1.00 0.00 WAT +ATOM 43616 OH2 TIP3 12436 42.838 -33.585 31.720 1.00 0.00 WAT +ATOM 43617 H1 TIP3 12436 43.546 -33.896 31.150 1.00 0.00 WAT +ATOM 43618 H2 TIP3 12436 42.664 -34.392 32.235 1.00 0.00 WAT +ATOM 43619 OH2 TIP3 12437 38.506 -38.803 29.146 1.00 0.00 WAT +ATOM 43620 H1 TIP3 12437 38.648 -39.429 28.418 1.00 0.00 WAT +ATOM 43621 H2 TIP3 12437 38.397 -37.966 28.660 1.00 0.00 WAT +ATOM 43622 OH2 TIP3 12438 38.899 -40.366 26.519 1.00 0.00 WAT +ATOM 43623 H1 TIP3 12438 39.429 -39.779 25.933 1.00 0.00 WAT +ATOM 43624 H2 TIP3 12438 37.990 -40.228 26.186 1.00 0.00 WAT +ATOM 43625 OH2 TIP3 12439 40.657 -34.931 26.896 1.00 0.00 WAT +ATOM 43626 H1 TIP3 12439 41.363 -34.921 26.238 1.00 0.00 WAT +ATOM 43627 H2 TIP3 12439 40.288 -34.040 26.776 1.00 0.00 WAT +ATOM 43628 OH2 TIP3 12440 36.660 -36.954 30.935 1.00 0.00 WAT +ATOM 43629 H1 TIP3 12440 36.209 -37.816 30.928 1.00 0.00 WAT +ATOM 43630 H2 TIP3 12440 37.494 -37.173 30.488 1.00 0.00 WAT +ATOM 43631 OH2 TIP3 12441 39.318 -42.727 27.778 1.00 0.00 WAT +ATOM 43632 H1 TIP3 12441 39.503 -41.857 27.366 1.00 0.00 WAT +ATOM 43633 H2 TIP3 12441 38.392 -42.815 27.526 1.00 0.00 WAT +ATOM 43634 OH2 TIP3 12442 41.048 -38.549 30.691 1.00 0.00 WAT +ATOM 43635 H1 TIP3 12442 40.701 -38.862 31.541 1.00 0.00 WAT +ATOM 43636 H2 TIP3 12442 40.298 -38.758 30.106 1.00 0.00 WAT +ATOM 43637 OH2 TIP3 12443 35.495 -39.564 30.829 1.00 0.00 WAT +ATOM 43638 H1 TIP3 12443 35.246 -40.160 30.103 1.00 0.00 WAT +ATOM 43639 H2 TIP3 12443 35.064 -39.981 31.590 1.00 0.00 WAT +ATOM 43640 OH2 TIP3 12444 40.514 -41.533 31.830 1.00 0.00 WAT +ATOM 43641 H1 TIP3 12444 40.265 -42.341 31.343 1.00 0.00 WAT +ATOM 43642 H2 TIP3 12444 39.692 -41.021 31.830 1.00 0.00 WAT +ATOM 43643 OH2 TIP3 12445 39.550 -24.586 15.143 1.00 0.00 WAT +ATOM 43644 H1 TIP3 12445 40.515 -24.577 15.197 1.00 0.00 WAT +ATOM 43645 H2 TIP3 12445 39.409 -24.166 14.285 1.00 0.00 WAT +ATOM 43646 OH2 TIP3 12446 33.344 -30.196 14.640 1.00 0.00 WAT +ATOM 43647 H1 TIP3 12446 34.300 -30.024 14.776 1.00 0.00 WAT +ATOM 43648 H2 TIP3 12446 33.356 -30.991 14.071 1.00 0.00 WAT +ATOM 43649 OH2 TIP3 12447 32.334 -25.001 19.383 1.00 0.00 WAT +ATOM 43650 H1 TIP3 12447 31.617 -25.380 18.836 1.00 0.00 WAT +ATOM 43651 H2 TIP3 12447 32.430 -25.690 20.072 1.00 0.00 WAT +ATOM 43652 OH2 TIP3 12448 32.731 -26.985 21.364 1.00 0.00 WAT +ATOM 43653 H1 TIP3 12448 32.431 -27.853 21.685 1.00 0.00 WAT +ATOM 43654 H2 TIP3 12448 33.052 -26.620 22.204 1.00 0.00 WAT +ATOM 43655 OH2 TIP3 12449 32.800 -33.675 23.774 1.00 0.00 WAT +ATOM 43656 H1 TIP3 12449 33.043 -33.595 22.836 1.00 0.00 WAT +ATOM 43657 H2 TIP3 12449 33.678 -33.860 24.169 1.00 0.00 WAT +ATOM 43658 OH2 TIP3 12450 32.583 -38.249 30.413 1.00 0.00 WAT +ATOM 43659 H1 TIP3 12450 33.483 -38.409 30.096 1.00 0.00 WAT +ATOM 43660 H2 TIP3 12450 32.164 -39.106 30.241 1.00 0.00 WAT +ATOM 43661 OH2 TIP3 12451 33.413 -39.914 22.990 1.00 0.00 WAT +ATOM 43662 H1 TIP3 12451 33.744 -40.835 23.090 1.00 0.00 WAT +ATOM 43663 H2 TIP3 12451 34.171 -39.403 23.330 1.00 0.00 WAT +ATOM 43664 OH2 TIP3 12452 32.030 -37.292 24.019 1.00 0.00 WAT +ATOM 43665 H1 TIP3 12452 32.596 -37.350 23.233 1.00 0.00 WAT +ATOM 43666 H2 TIP3 12452 32.414 -36.525 24.463 1.00 0.00 WAT +ATOM 43667 OH2 TIP3 12453 32.562 -41.018 18.061 1.00 0.00 WAT +ATOM 43668 H1 TIP3 12453 31.612 -40.940 17.862 1.00 0.00 WAT +ATOM 43669 H2 TIP3 12453 32.956 -40.335 17.479 1.00 0.00 WAT +ATOM 43670 OH2 TIP3 12454 32.300 -41.237 26.607 1.00 0.00 WAT +ATOM 43671 H1 TIP3 12454 32.335 -42.181 26.859 1.00 0.00 WAT +ATOM 43672 H2 TIP3 12454 32.138 -41.312 25.655 1.00 0.00 WAT +ATOM 43673 OH2 TIP3 12455 34.430 -29.279 30.936 1.00 0.00 WAT +ATOM 43674 H1 TIP3 12455 33.879 -28.876 30.245 1.00 0.00 WAT +ATOM 43675 H2 TIP3 12455 34.130 -28.813 31.724 1.00 0.00 WAT +ATOM 43676 OH2 TIP3 12456 37.417 -27.986 26.573 1.00 0.00 WAT +ATOM 43677 H1 TIP3 12456 37.075 -27.141 26.236 1.00 0.00 WAT +ATOM 43678 H2 TIP3 12456 38.371 -27.865 26.395 1.00 0.00 WAT +ATOM 43679 OH2 TIP3 12457 42.196 -26.342 29.466 1.00 0.00 WAT +ATOM 43680 H1 TIP3 12457 42.042 -26.712 30.350 1.00 0.00 WAT +ATOM 43681 H2 TIP3 12457 43.145 -26.130 29.532 1.00 0.00 WAT +ATOM 43682 OH2 TIP3 12458 34.721 -24.978 26.838 1.00 0.00 WAT +ATOM 43683 H1 TIP3 12458 34.025 -24.395 26.487 1.00 0.00 WAT +ATOM 43684 H2 TIP3 12458 34.478 -24.986 27.774 1.00 0.00 WAT +ATOM 43685 OH2 TIP3 12459 37.273 -25.214 25.494 1.00 0.00 WAT +ATOM 43686 H1 TIP3 12459 36.409 -25.069 25.931 1.00 0.00 WAT +ATOM 43687 H2 TIP3 12459 37.256 -24.540 24.797 1.00 0.00 WAT +ATOM 43688 OH2 TIP3 12460 41.964 -25.480 25.025 1.00 0.00 WAT +ATOM 43689 H1 TIP3 12460 41.783 -24.990 24.208 1.00 0.00 WAT +ATOM 43690 H2 TIP3 12460 42.576 -24.898 25.488 1.00 0.00 WAT +ATOM 43691 OH2 TIP3 12461 34.365 -26.214 23.834 1.00 0.00 WAT +ATOM 43692 H1 TIP3 12461 34.320 -26.685 24.697 1.00 0.00 WAT +ATOM 43693 H2 TIP3 12461 35.113 -26.685 23.418 1.00 0.00 WAT +ATOM 43694 OH2 TIP3 12462 36.375 -27.483 22.270 1.00 0.00 WAT +ATOM 43695 H1 TIP3 12462 36.208 -28.409 22.550 1.00 0.00 WAT +ATOM 43696 H2 TIP3 12462 37.280 -27.335 22.607 1.00 0.00 WAT +ATOM 43697 OH2 TIP3 12463 39.124 -26.989 23.175 1.00 0.00 WAT +ATOM 43698 H1 TIP3 12463 39.342 -27.910 22.950 1.00 0.00 WAT +ATOM 43699 H2 TIP3 12463 39.208 -27.017 24.142 1.00 0.00 WAT +ATOM 43700 OH2 TIP3 12464 42.552 -41.407 22.549 1.00 0.00 WAT +ATOM 43701 H1 TIP3 12464 41.787 -41.992 22.698 1.00 0.00 WAT +ATOM 43702 H2 TIP3 12464 42.910 -41.765 21.732 1.00 0.00 WAT +ATOM 43703 OH2 TIP3 12465 34.778 -42.834 19.805 1.00 0.00 WAT +ATOM 43704 H1 TIP3 12465 33.869 -43.058 19.572 1.00 0.00 WAT +ATOM 43705 H2 TIP3 12465 35.122 -43.659 20.159 1.00 0.00 WAT +ATOM 43706 OH2 TIP3 12466 33.376 -42.910 16.034 1.00 0.00 WAT +ATOM 43707 H1 TIP3 12466 33.823 -42.433 15.308 1.00 0.00 WAT +ATOM 43708 H2 TIP3 12466 32.991 -42.171 16.534 1.00 0.00 WAT +ATOM 43709 OH2 TIP3 12467 39.367 -42.523 19.814 1.00 0.00 WAT +ATOM 43710 H1 TIP3 12467 40.298 -42.238 19.908 1.00 0.00 WAT +ATOM 43711 H2 TIP3 12467 39.186 -42.878 20.692 1.00 0.00 WAT +ATOM 43712 OH2 TIP3 12468 33.813 -26.960 17.072 1.00 0.00 WAT +ATOM 43713 H1 TIP3 12468 33.159 -27.093 16.368 1.00 0.00 WAT +ATOM 43714 H2 TIP3 12468 33.774 -25.998 17.163 1.00 0.00 WAT +ATOM 43715 OH2 TIP3 12469 35.281 -41.275 14.466 1.00 0.00 WAT +ATOM 43716 H1 TIP3 12469 35.984 -41.609 13.880 1.00 0.00 WAT +ATOM 43717 H2 TIP3 12469 35.806 -40.738 15.087 1.00 0.00 WAT +ATOM 43718 OH2 TIP3 12470 40.498 -40.709 16.702 1.00 0.00 WAT +ATOM 43719 H1 TIP3 12470 40.646 -41.532 17.198 1.00 0.00 WAT +ATOM 43720 H2 TIP3 12470 40.622 -40.015 17.388 1.00 0.00 WAT +ATOM 43721 OH2 TIP3 12471 42.619 -25.301 15.152 1.00 0.00 WAT +ATOM 43722 H1 TIP3 12471 43.513 -24.950 14.991 1.00 0.00 WAT +ATOM 43723 H2 TIP3 12471 42.499 -25.917 14.407 1.00 0.00 WAT +ATOM 43724 OH2 TIP3 12472 34.389 -41.798 29.250 1.00 0.00 WAT +ATOM 43725 H1 TIP3 12472 33.973 -42.610 29.569 1.00 0.00 WAT +ATOM 43726 H2 TIP3 12472 35.285 -42.139 29.112 1.00 0.00 WAT +ATOM 43727 OH2 TIP3 12473 37.307 -42.779 31.912 1.00 0.00 WAT +ATOM 43728 H1 TIP3 12473 38.175 -43.053 31.535 1.00 0.00 WAT +ATOM 43729 H2 TIP3 12473 37.059 -43.576 32.392 1.00 0.00 WAT +ATOM 43730 OH2 TIP3 12474 35.265 -25.973 13.880 1.00 0.00 WAT +ATOM 43731 H1 TIP3 12474 34.986 -25.766 14.783 1.00 0.00 WAT +ATOM 43732 H2 TIP3 12474 35.989 -26.603 14.022 1.00 0.00 WAT +ATOM 43733 OH2 TIP3 12475 -31.591 -14.802 20.298 1.00 0.00 WAT +ATOM 43734 H1 TIP3 12475 -31.640 -13.834 20.349 1.00 0.00 WAT +ATOM 43735 H2 TIP3 12475 -32.354 -14.995 19.734 1.00 0.00 WAT +ATOM 43736 OH2 TIP3 12476 -32.729 -15.372 23.376 1.00 0.00 WAT +ATOM 43737 H1 TIP3 12476 -32.764 -15.950 24.155 1.00 0.00 WAT +ATOM 43738 H2 TIP3 12476 -33.002 -15.979 22.673 1.00 0.00 WAT +ATOM 43739 OH2 TIP3 12477 -40.269 -15.772 25.009 1.00 0.00 WAT +ATOM 43740 H1 TIP3 12477 -40.314 -16.502 25.654 1.00 0.00 WAT +ATOM 43741 H2 TIP3 12477 -39.573 -15.224 25.396 1.00 0.00 WAT +ATOM 43742 OH2 TIP3 12478 -29.042 -12.528 21.706 1.00 0.00 WAT +ATOM 43743 H1 TIP3 12478 -29.402 -13.312 22.147 1.00 0.00 WAT +ATOM 43744 H2 TIP3 12478 -28.787 -11.978 22.456 1.00 0.00 WAT +ATOM 43745 OH2 TIP3 12479 -39.520 -11.153 23.587 1.00 0.00 WAT +ATOM 43746 H1 TIP3 12479 -39.773 -12.078 23.432 1.00 0.00 WAT +ATOM 43747 H2 TIP3 12479 -38.618 -11.244 23.932 1.00 0.00 WAT +ATOM 43748 OH2 TIP3 12480 -42.155 -17.405 17.674 1.00 0.00 WAT +ATOM 43749 H1 TIP3 12480 -42.389 -16.638 18.214 1.00 0.00 WAT +ATOM 43750 H2 TIP3 12480 -42.962 -17.933 17.726 1.00 0.00 WAT +ATOM 43751 OH2 TIP3 12481 -42.064 -15.474 20.517 1.00 0.00 WAT +ATOM 43752 H1 TIP3 12481 -41.854 -16.001 21.304 1.00 0.00 WAT +ATOM 43753 H2 TIP3 12481 -41.257 -14.955 20.404 1.00 0.00 WAT +ATOM 43754 OH2 TIP3 12482 -31.712 -7.473 22.110 1.00 0.00 WAT +ATOM 43755 H1 TIP3 12482 -31.258 -8.318 22.140 1.00 0.00 WAT +ATOM 43756 H2 TIP3 12482 -32.176 -7.474 22.965 1.00 0.00 WAT +ATOM 43757 OH2 TIP3 12483 -34.332 -12.930 23.974 1.00 0.00 WAT +ATOM 43758 H1 TIP3 12483 -33.976 -13.639 23.412 1.00 0.00 WAT +ATOM 43759 H2 TIP3 12483 -33.549 -12.763 24.529 1.00 0.00 WAT +ATOM 43760 OH2 TIP3 12484 -25.613 -21.328 24.568 1.00 0.00 WAT +ATOM 43761 H1 TIP3 12484 -25.335 -20.727 25.279 1.00 0.00 WAT +ATOM 43762 H2 TIP3 12484 -24.987 -21.075 23.863 1.00 0.00 WAT +ATOM 43763 OH2 TIP3 12485 -30.982 -18.510 24.452 1.00 0.00 WAT +ATOM 43764 H1 TIP3 12485 -30.828 -19.468 24.512 1.00 0.00 WAT +ATOM 43765 H2 TIP3 12485 -31.050 -18.391 23.491 1.00 0.00 WAT +ATOM 43766 OH2 TIP3 12486 -38.002 -20.516 21.522 1.00 0.00 WAT +ATOM 43767 H1 TIP3 12486 -37.842 -19.666 21.065 1.00 0.00 WAT +ATOM 43768 H2 TIP3 12486 -38.336 -21.053 20.777 1.00 0.00 WAT +ATOM 43769 OH2 TIP3 12487 -30.136 -20.330 19.850 1.00 0.00 WAT +ATOM 43770 H1 TIP3 12487 -29.547 -20.760 20.509 1.00 0.00 WAT +ATOM 43771 H2 TIP3 12487 -29.482 -19.906 19.275 1.00 0.00 WAT +ATOM 43772 OH2 TIP3 12488 -41.400 -17.819 22.067 1.00 0.00 WAT +ATOM 43773 H1 TIP3 12488 -40.772 -18.194 22.708 1.00 0.00 WAT +ATOM 43774 H2 TIP3 12488 -41.168 -18.329 21.271 1.00 0.00 WAT +ATOM 43775 OH2 TIP3 12489 -35.940 -16.396 21.516 1.00 0.00 WAT +ATOM 43776 H1 TIP3 12489 -35.234 -16.945 21.909 1.00 0.00 WAT +ATOM 43777 H2 TIP3 12489 -36.441 -17.064 21.015 1.00 0.00 WAT +ATOM 43778 OH2 TIP3 12490 -24.865 -19.967 27.056 1.00 0.00 WAT +ATOM 43779 H1 TIP3 12490 -25.464 -19.253 26.773 1.00 0.00 WAT +ATOM 43780 H2 TIP3 12490 -25.066 -20.005 28.001 1.00 0.00 WAT +ATOM 43781 OH2 TIP3 12491 -39.183 -21.694 25.693 1.00 0.00 WAT +ATOM 43782 H1 TIP3 12491 -39.635 -21.256 24.959 1.00 0.00 WAT +ATOM 43783 H2 TIP3 12491 -39.812 -21.528 26.423 1.00 0.00 WAT +ATOM 43784 OH2 TIP3 12492 -31.769 -12.013 19.104 1.00 0.00 WAT +ATOM 43785 H1 TIP3 12492 -31.977 -12.246 18.192 1.00 0.00 WAT +ATOM 43786 H2 TIP3 12492 -32.197 -11.148 19.209 1.00 0.00 WAT +ATOM 43787 OH2 TIP3 12493 -36.623 -13.533 25.883 1.00 0.00 WAT +ATOM 43788 H1 TIP3 12493 -37.263 -12.888 26.229 1.00 0.00 WAT +ATOM 43789 H2 TIP3 12493 -35.936 -12.943 25.536 1.00 0.00 WAT +ATOM 43790 OH2 TIP3 12494 -28.323 -21.098 21.873 1.00 0.00 WAT +ATOM 43791 H1 TIP3 12494 -28.695 -21.708 22.522 1.00 0.00 WAT +ATOM 43792 H2 TIP3 12494 -27.777 -20.519 22.432 1.00 0.00 WAT +ATOM 43793 OH2 TIP3 12495 -39.578 -19.633 23.597 1.00 0.00 WAT +ATOM 43794 H1 TIP3 12495 -38.930 -19.076 24.078 1.00 0.00 WAT +ATOM 43795 H2 TIP3 12495 -38.997 -20.014 22.902 1.00 0.00 WAT +ATOM 43796 OH2 TIP3 12496 -41.844 -12.369 17.463 1.00 0.00 WAT +ATOM 43797 H1 TIP3 12496 -42.627 -12.148 16.922 1.00 0.00 WAT +ATOM 43798 H2 TIP3 12496 -41.889 -11.713 18.182 1.00 0.00 WAT +ATOM 43799 OH2 TIP3 12497 -28.479 -10.134 23.464 1.00 0.00 WAT +ATOM 43800 H1 TIP3 12497 -29.330 -10.374 23.905 1.00 0.00 WAT +ATOM 43801 H2 TIP3 12497 -28.048 -9.621 24.161 1.00 0.00 WAT +ATOM 43802 OH2 TIP3 12498 -28.184 -21.943 25.721 1.00 0.00 WAT +ATOM 43803 H1 TIP3 12498 -28.953 -21.566 25.253 1.00 0.00 WAT +ATOM 43804 H2 TIP3 12498 -27.455 -21.762 25.097 1.00 0.00 WAT +ATOM 43805 OH2 TIP3 12499 -35.054 -24.237 22.772 1.00 0.00 WAT +ATOM 43806 H1 TIP3 12499 -35.281 -25.184 22.711 1.00 0.00 WAT +ATOM 43807 H2 TIP3 12499 -35.879 -23.859 23.142 1.00 0.00 WAT +ATOM 43808 OH2 TIP3 12500 -28.821 -10.620 19.665 1.00 0.00 WAT +ATOM 43809 H1 TIP3 12500 -29.066 -10.973 18.790 1.00 0.00 WAT +ATOM 43810 H2 TIP3 12500 -28.971 -11.435 20.196 1.00 0.00 WAT +ATOM 43811 OH2 TIP3 12501 -27.254 -12.152 27.855 1.00 0.00 WAT +ATOM 43812 H1 TIP3 12501 -27.312 -12.836 27.160 1.00 0.00 WAT +ATOM 43813 H2 TIP3 12501 -26.983 -11.360 27.370 1.00 0.00 WAT +ATOM 43814 OH2 TIP3 12502 -32.946 -15.270 17.556 1.00 0.00 WAT +ATOM 43815 H1 TIP3 12502 -33.614 -14.697 17.138 1.00 0.00 WAT +ATOM 43816 H2 TIP3 12502 -32.230 -15.253 16.898 1.00 0.00 WAT +ATOM 43817 OH2 TIP3 12503 -32.675 -17.119 14.652 1.00 0.00 WAT +ATOM 43818 H1 TIP3 12503 -31.954 -16.781 15.213 1.00 0.00 WAT +ATOM 43819 H2 TIP3 12503 -32.174 -17.673 14.036 1.00 0.00 WAT +ATOM 43820 OH2 TIP3 12504 -25.462 -16.027 25.808 1.00 0.00 WAT +ATOM 43821 H1 TIP3 12504 -26.167 -15.362 25.903 1.00 0.00 WAT +ATOM 43822 H2 TIP3 12504 -24.979 -15.694 25.027 1.00 0.00 WAT +ATOM 43823 OH2 TIP3 12505 -29.437 -15.279 18.615 1.00 0.00 WAT +ATOM 43824 H1 TIP3 12505 -30.126 -15.092 19.292 1.00 0.00 WAT +ATOM 43825 H2 TIP3 12505 -28.838 -15.862 19.118 1.00 0.00 WAT +ATOM 43826 OH2 TIP3 12506 -29.608 -16.745 27.463 1.00 0.00 WAT +ATOM 43827 H1 TIP3 12506 -29.557 -15.926 27.983 1.00 0.00 WAT +ATOM 43828 H2 TIP3 12506 -30.283 -16.469 26.816 1.00 0.00 WAT +ATOM 43829 OH2 TIP3 12507 -37.802 -14.500 20.385 1.00 0.00 WAT +ATOM 43830 H1 TIP3 12507 -38.150 -14.953 19.593 1.00 0.00 WAT +ATOM 43831 H2 TIP3 12507 -37.184 -15.161 20.745 1.00 0.00 WAT +ATOM 43832 OH2 TIP3 12508 -36.449 -11.101 23.080 1.00 0.00 WAT +ATOM 43833 H1 TIP3 12508 -36.547 -11.568 22.242 1.00 0.00 WAT +ATOM 43834 H2 TIP3 12508 -35.714 -11.588 23.498 1.00 0.00 WAT +ATOM 43835 OH2 TIP3 12509 -37.238 -15.607 23.970 1.00 0.00 WAT +ATOM 43836 H1 TIP3 12509 -36.636 -15.573 23.203 1.00 0.00 WAT +ATOM 43837 H2 TIP3 12509 -36.894 -14.904 24.553 1.00 0.00 WAT +ATOM 43838 OH2 TIP3 12510 -31.098 -10.227 24.485 1.00 0.00 WAT +ATOM 43839 H1 TIP3 12510 -31.334 -9.542 25.140 1.00 0.00 WAT +ATOM 43840 H2 TIP3 12510 -31.504 -11.023 24.882 1.00 0.00 WAT +ATOM 43841 OH2 TIP3 12511 -30.486 -15.769 16.033 1.00 0.00 WAT +ATOM 43842 H1 TIP3 12511 -29.986 -15.561 16.850 1.00 0.00 WAT +ATOM 43843 H2 TIP3 12511 -29.937 -15.329 15.343 1.00 0.00 WAT +ATOM 43844 OH2 TIP3 12512 -39.556 -15.156 27.938 1.00 0.00 WAT +ATOM 43845 H1 TIP3 12512 -39.425 -14.446 28.597 1.00 0.00 WAT +ATOM 43846 H2 TIP3 12512 -40.512 -15.064 27.778 1.00 0.00 WAT +ATOM 43847 OH2 TIP3 12513 -32.743 -9.086 19.642 1.00 0.00 WAT +ATOM 43848 H1 TIP3 12513 -32.728 -8.810 20.565 1.00 0.00 WAT +ATOM 43849 H2 TIP3 12513 -33.481 -8.562 19.290 1.00 0.00 WAT +ATOM 43850 OH2 TIP3 12514 -27.051 -24.110 15.592 1.00 0.00 WAT +ATOM 43851 H1 TIP3 12514 -27.913 -23.987 16.025 1.00 0.00 WAT +ATOM 43852 H2 TIP3 12514 -26.683 -23.211 15.608 1.00 0.00 WAT +ATOM 43853 OH2 TIP3 12515 -38.944 -15.781 17.957 1.00 0.00 WAT +ATOM 43854 H1 TIP3 12515 -39.144 -15.021 17.387 1.00 0.00 WAT +ATOM 43855 H2 TIP3 12515 -39.607 -16.426 17.670 1.00 0.00 WAT +ATOM 43856 OH2 TIP3 12516 -42.731 -12.911 26.506 1.00 0.00 WAT +ATOM 43857 H1 TIP3 12516 -42.909 -13.254 25.619 1.00 0.00 WAT +ATOM 43858 H2 TIP3 12516 -42.961 -13.668 27.066 1.00 0.00 WAT +ATOM 43859 OH2 TIP3 12517 -42.806 -10.150 23.440 1.00 0.00 WAT +ATOM 43860 H1 TIP3 12517 -41.977 -10.590 23.668 1.00 0.00 WAT +ATOM 43861 H2 TIP3 12517 -43.005 -9.679 24.259 1.00 0.00 WAT +ATOM 43862 OH2 TIP3 12518 -24.435 -9.562 29.364 1.00 0.00 WAT +ATOM 43863 H1 TIP3 12518 -24.526 -10.520 29.217 1.00 0.00 WAT +ATOM 43864 H2 TIP3 12518 -25.339 -9.330 29.672 1.00 0.00 WAT +ATOM 43865 OH2 TIP3 12519 -33.915 -10.469 28.208 1.00 0.00 WAT +ATOM 43866 H1 TIP3 12519 -33.830 -9.532 28.446 1.00 0.00 WAT +ATOM 43867 H2 TIP3 12519 -34.884 -10.442 28.009 1.00 0.00 WAT +ATOM 43868 OH2 TIP3 12520 -33.642 -6.411 18.195 1.00 0.00 WAT +ATOM 43869 H1 TIP3 12520 -33.467 -6.503 17.250 1.00 0.00 WAT +ATOM 43870 H2 TIP3 12520 -33.336 -5.517 18.411 1.00 0.00 WAT +ATOM 43871 OH2 TIP3 12521 -39.760 -7.402 19.798 1.00 0.00 WAT +ATOM 43872 H1 TIP3 12521 -39.513 -7.831 20.644 1.00 0.00 WAT +ATOM 43873 H2 TIP3 12521 -40.554 -7.916 19.581 1.00 0.00 WAT +ATOM 43874 OH2 TIP3 12522 -30.065 -7.410 15.058 1.00 0.00 WAT +ATOM 43875 H1 TIP3 12522 -29.694 -8.185 14.609 1.00 0.00 WAT +ATOM 43876 H2 TIP3 12522 -30.018 -7.695 15.985 1.00 0.00 WAT +ATOM 43877 OH2 TIP3 12523 -30.712 -7.577 18.116 1.00 0.00 WAT +ATOM 43878 H1 TIP3 12523 -31.674 -7.591 18.256 1.00 0.00 WAT +ATOM 43879 H2 TIP3 12523 -30.487 -8.414 18.543 1.00 0.00 WAT +ATOM 43880 OH2 TIP3 12524 -27.651 -18.203 29.783 1.00 0.00 WAT +ATOM 43881 H1 TIP3 12524 -28.147 -17.817 29.048 1.00 0.00 WAT +ATOM 43882 H2 TIP3 12524 -27.590 -19.138 29.504 1.00 0.00 WAT +ATOM 43883 OH2 TIP3 12525 -40.337 -11.722 27.482 1.00 0.00 WAT +ATOM 43884 H1 TIP3 12525 -40.046 -11.914 28.385 1.00 0.00 WAT +ATOM 43885 H2 TIP3 12525 -41.222 -12.114 27.405 1.00 0.00 WAT +ATOM 43886 OH2 TIP3 12526 -37.483 -23.086 23.683 1.00 0.00 WAT +ATOM 43887 H1 TIP3 12526 -38.305 -23.174 23.168 1.00 0.00 WAT +ATOM 43888 H2 TIP3 12526 -37.724 -22.351 24.269 1.00 0.00 WAT +ATOM 43889 OH2 TIP3 12527 -33.112 -23.488 27.361 1.00 0.00 WAT +ATOM 43890 H1 TIP3 12527 -32.584 -24.053 27.959 1.00 0.00 WAT +ATOM 43891 H2 TIP3 12527 -34.012 -23.854 27.445 1.00 0.00 WAT +ATOM 43892 OH2 TIP3 12528 -29.944 -19.709 27.837 1.00 0.00 WAT +ATOM 43893 H1 TIP3 12528 -30.553 -19.870 28.582 1.00 0.00 WAT +ATOM 43894 H2 TIP3 12528 -30.019 -18.751 27.688 1.00 0.00 WAT +ATOM 43895 OH2 TIP3 12529 -28.798 -14.793 13.981 1.00 0.00 WAT +ATOM 43896 H1 TIP3 12529 -28.970 -14.985 13.042 1.00 0.00 WAT +ATOM 43897 H2 TIP3 12529 -27.880 -14.513 13.956 1.00 0.00 WAT +ATOM 43898 OH2 TIP3 12530 -33.328 -20.972 14.589 1.00 0.00 WAT +ATOM 43899 H1 TIP3 12530 -33.791 -21.149 15.420 1.00 0.00 WAT +ATOM 43900 H2 TIP3 12530 -33.697 -21.671 14.022 1.00 0.00 WAT +ATOM 43901 OH2 TIP3 12531 -37.629 -18.270 25.076 1.00 0.00 WAT +ATOM 43902 H1 TIP3 12531 -38.212 -18.172 25.847 1.00 0.00 WAT +ATOM 43903 H2 TIP3 12531 -37.540 -17.347 24.759 1.00 0.00 WAT +ATOM 43904 OH2 TIP3 12532 -37.689 -18.235 19.968 1.00 0.00 WAT +ATOM 43905 H1 TIP3 12532 -38.642 -18.281 19.775 1.00 0.00 WAT +ATOM 43906 H2 TIP3 12532 -37.319 -18.403 19.079 1.00 0.00 WAT +ATOM 43907 OH2 TIP3 12533 -32.074 -17.645 18.758 1.00 0.00 WAT +ATOM 43908 H1 TIP3 12533 -32.480 -16.832 18.389 1.00 0.00 WAT +ATOM 43909 H2 TIP3 12533 -31.377 -17.824 18.102 1.00 0.00 WAT +ATOM 43910 OH2 TIP3 12534 -32.884 -17.464 30.109 1.00 0.00 WAT +ATOM 43911 H1 TIP3 12534 -33.377 -18.226 30.470 1.00 0.00 WAT +ATOM 43912 H2 TIP3 12534 -32.002 -17.592 30.505 1.00 0.00 WAT +ATOM 43913 OH2 TIP3 12535 -31.215 -18.256 21.525 1.00 0.00 WAT +ATOM 43914 H1 TIP3 12535 -31.512 -17.697 20.780 1.00 0.00 WAT +ATOM 43915 H2 TIP3 12535 -30.984 -19.067 21.027 1.00 0.00 WAT +ATOM 43916 OH2 TIP3 12536 -40.227 -18.155 26.904 1.00 0.00 WAT +ATOM 43917 H1 TIP3 12536 -40.018 -17.709 27.734 1.00 0.00 WAT +ATOM 43918 H2 TIP3 12536 -40.502 -19.035 27.214 1.00 0.00 WAT +ATOM 43919 OH2 TIP3 12537 -36.885 -20.475 13.546 1.00 0.00 WAT +ATOM 43920 H1 TIP3 12537 -37.255 -20.923 14.330 1.00 0.00 WAT +ATOM 43921 H2 TIP3 12537 -37.643 -20.410 12.955 1.00 0.00 WAT +ATOM 43922 OH2 TIP3 12538 -43.219 -20.537 20.516 1.00 0.00 WAT +ATOM 43923 H1 TIP3 12538 -43.109 -20.735 21.464 1.00 0.00 WAT +ATOM 43924 H2 TIP3 12538 -42.738 -21.263 20.109 1.00 0.00 WAT +ATOM 43925 OH2 TIP3 12539 -42.096 -20.135 16.393 1.00 0.00 WAT +ATOM 43926 H1 TIP3 12539 -41.468 -19.841 15.704 1.00 0.00 WAT +ATOM 43927 H2 TIP3 12539 -42.894 -19.681 16.109 1.00 0.00 WAT +ATOM 43928 OH2 TIP3 12540 -32.134 -16.572 26.012 1.00 0.00 WAT +ATOM 43929 H1 TIP3 12540 -31.703 -17.291 25.496 1.00 0.00 WAT +ATOM 43930 H2 TIP3 12540 -32.527 -17.075 26.743 1.00 0.00 WAT +ATOM 43931 OH2 TIP3 12541 -34.904 -20.623 21.007 1.00 0.00 WAT +ATOM 43932 H1 TIP3 12541 -35.846 -20.685 21.235 1.00 0.00 WAT +ATOM 43933 H2 TIP3 12541 -34.482 -20.826 21.859 1.00 0.00 WAT +ATOM 43934 OH2 TIP3 12542 -40.420 -19.366 19.625 1.00 0.00 WAT +ATOM 43935 H1 TIP3 12542 -41.145 -19.244 18.998 1.00 0.00 WAT +ATOM 43936 H2 TIP3 12542 -40.014 -20.193 19.297 1.00 0.00 WAT +ATOM 43937 OH2 TIP3 12543 -36.721 -19.052 17.369 1.00 0.00 WAT +ATOM 43938 H1 TIP3 12543 -35.748 -19.011 17.420 1.00 0.00 WAT +ATOM 43939 H2 TIP3 12543 -36.937 -18.462 16.627 1.00 0.00 WAT +ATOM 43940 OH2 TIP3 12544 -30.517 -21.486 24.029 1.00 0.00 WAT +ATOM 43941 H1 TIP3 12544 -31.174 -21.479 24.758 1.00 0.00 WAT +ATOM 43942 H2 TIP3 12544 -31.072 -21.827 23.307 1.00 0.00 WAT +ATOM 43943 OH2 TIP3 12545 -38.258 -17.777 15.125 1.00 0.00 WAT +ATOM 43944 H1 TIP3 12545 -38.827 -18.140 14.431 1.00 0.00 WAT +ATOM 43945 H2 TIP3 12545 -37.436 -17.608 14.631 1.00 0.00 WAT +ATOM 43946 OH2 TIP3 12546 -27.511 -5.717 30.678 1.00 0.00 WAT +ATOM 43947 H1 TIP3 12546 -27.284 -5.265 29.846 1.00 0.00 WAT +ATOM 43948 H2 TIP3 12546 -26.809 -5.405 31.274 1.00 0.00 WAT +ATOM 43949 OH2 TIP3 12547 -39.533 -13.224 30.142 1.00 0.00 WAT +ATOM 43950 H1 TIP3 12547 -38.925 -13.032 30.884 1.00 0.00 WAT +ATOM 43951 H2 TIP3 12547 -40.384 -12.985 30.563 1.00 0.00 WAT +ATOM 43952 OH2 TIP3 12548 -33.894 -18.083 22.828 1.00 0.00 WAT +ATOM 43953 H1 TIP3 12548 -33.159 -18.506 22.357 1.00 0.00 WAT +ATOM 43954 H2 TIP3 12548 -34.047 -18.706 23.566 1.00 0.00 WAT +ATOM 43955 OH2 TIP3 12549 -38.736 -21.714 19.078 1.00 0.00 WAT +ATOM 43956 H1 TIP3 12549 -39.155 -22.584 19.115 1.00 0.00 WAT +ATOM 43957 H2 TIP3 12549 -37.924 -21.913 18.587 1.00 0.00 WAT +ATOM 43958 OH2 TIP3 12550 -34.930 -19.635 25.063 1.00 0.00 WAT +ATOM 43959 H1 TIP3 12550 -35.695 -19.036 25.068 1.00 0.00 WAT +ATOM 43960 H2 TIP3 12550 -34.433 -19.364 25.859 1.00 0.00 WAT +ATOM 43961 OH2 TIP3 12551 -34.808 -13.187 16.959 1.00 0.00 WAT +ATOM 43962 H1 TIP3 12551 -35.548 -13.730 16.610 1.00 0.00 WAT +ATOM 43963 H2 TIP3 12551 -34.971 -13.203 17.929 1.00 0.00 WAT +ATOM 43964 OH2 TIP3 12552 -27.560 -14.034 25.714 1.00 0.00 WAT +ATOM 43965 H1 TIP3 12552 -27.054 -13.573 25.015 1.00 0.00 WAT +ATOM 43966 H2 TIP3 12552 -28.402 -14.234 25.256 1.00 0.00 WAT +ATOM 43967 OH2 TIP3 12553 -30.635 -20.458 14.808 1.00 0.00 WAT +ATOM 43968 H1 TIP3 12553 -31.611 -20.422 14.703 1.00 0.00 WAT +ATOM 43969 H2 TIP3 12553 -30.433 -19.661 15.332 1.00 0.00 WAT +ATOM 43970 OH2 TIP3 12554 -33.105 -13.162 28.259 1.00 0.00 WAT +ATOM 43971 H1 TIP3 12554 -33.429 -13.488 29.109 1.00 0.00 WAT +ATOM 43972 H2 TIP3 12554 -33.455 -12.246 28.260 1.00 0.00 WAT +ATOM 43973 OH2 TIP3 12555 -29.945 -18.531 16.834 1.00 0.00 WAT +ATOM 43974 H1 TIP3 12555 -29.055 -18.744 17.177 1.00 0.00 WAT +ATOM 43975 H2 TIP3 12555 -29.782 -17.722 16.320 1.00 0.00 WAT +ATOM 43976 OH2 TIP3 12556 -39.831 -14.000 22.628 1.00 0.00 WAT +ATOM 43977 H1 TIP3 12556 -39.099 -14.001 21.987 1.00 0.00 WAT +ATOM 43978 H2 TIP3 12556 -39.604 -14.752 23.200 1.00 0.00 WAT +ATOM 43979 OH2 TIP3 12557 -32.355 -11.880 15.916 1.00 0.00 WAT +ATOM 43980 H1 TIP3 12557 -32.627 -11.026 16.293 1.00 0.00 WAT +ATOM 43981 H2 TIP3 12557 -33.111 -12.449 16.146 1.00 0.00 WAT +ATOM 43982 OH2 TIP3 12558 -42.438 -15.401 28.302 1.00 0.00 WAT +ATOM 43983 H1 TIP3 12558 -42.319 -16.026 29.039 1.00 0.00 WAT +ATOM 43984 H2 TIP3 12558 -42.899 -15.954 27.634 1.00 0.00 WAT +ATOM 43985 OH2 TIP3 12559 -35.405 -16.037 30.051 1.00 0.00 WAT +ATOM 43986 H1 TIP3 12559 -35.813 -16.313 29.212 1.00 0.00 WAT +ATOM 43987 H2 TIP3 12559 -34.480 -16.312 29.917 1.00 0.00 WAT +ATOM 43988 OH2 TIP3 12560 -30.924 -10.564 27.747 1.00 0.00 WAT +ATOM 43989 H1 TIP3 12560 -31.896 -10.567 27.705 1.00 0.00 WAT +ATOM 43990 H2 TIP3 12560 -30.775 -10.381 28.690 1.00 0.00 WAT +ATOM 43991 OH2 TIP3 12561 -25.389 -18.507 16.533 1.00 0.00 WAT +ATOM 43992 H1 TIP3 12561 -25.881 -18.767 15.731 1.00 0.00 WAT +ATOM 43993 H2 TIP3 12561 -25.237 -17.571 16.304 1.00 0.00 WAT +ATOM 43994 OH2 TIP3 12562 -24.901 -12.543 29.335 1.00 0.00 WAT +ATOM 43995 H1 TIP3 12562 -25.839 -12.329 29.154 1.00 0.00 WAT +ATOM 43996 H2 TIP3 12562 -24.567 -12.734 28.436 1.00 0.00 WAT +ATOM 43997 OH2 TIP3 12563 -26.953 -10.015 16.664 1.00 0.00 WAT +ATOM 43998 H1 TIP3 12563 -27.231 -10.881 16.993 1.00 0.00 WAT +ATOM 43999 H2 TIP3 12563 -26.607 -10.244 15.795 1.00 0.00 WAT +ATOM 44000 OH2 TIP3 12564 -29.865 -14.630 23.990 1.00 0.00 WAT +ATOM 44001 H1 TIP3 12564 -30.805 -14.782 23.773 1.00 0.00 WAT +ATOM 44002 H2 TIP3 12564 -29.453 -15.378 23.509 1.00 0.00 WAT +ATOM 44003 OH2 TIP3 12565 -37.259 -10.588 19.931 1.00 0.00 WAT +ATOM 44004 H1 TIP3 12565 -36.877 -9.699 19.966 1.00 0.00 WAT +ATOM 44005 H2 TIP3 12565 -38.202 -10.393 19.849 1.00 0.00 WAT +ATOM 44006 OH2 TIP3 12566 -41.558 -15.590 14.749 1.00 0.00 WAT +ATOM 44007 H1 TIP3 12566 -40.809 -15.082 15.121 1.00 0.00 WAT +ATOM 44008 H2 TIP3 12566 -42.282 -14.976 14.921 1.00 0.00 WAT +ATOM 44009 OH2 TIP3 12567 -35.420 -12.851 19.706 1.00 0.00 WAT +ATOM 44010 H1 TIP3 12567 -35.797 -11.960 19.799 1.00 0.00 WAT +ATOM 44011 H2 TIP3 12567 -36.131 -13.390 20.089 1.00 0.00 WAT +ATOM 44012 OH2 TIP3 12568 -36.801 -7.649 19.232 1.00 0.00 WAT +ATOM 44013 H1 TIP3 12568 -37.757 -7.556 19.364 1.00 0.00 WAT +ATOM 44014 H2 TIP3 12568 -36.475 -6.773 19.506 1.00 0.00 WAT +ATOM 44015 OH2 TIP3 12569 -31.845 -12.852 25.580 1.00 0.00 WAT +ATOM 44016 H1 TIP3 12569 -32.166 -13.081 26.473 1.00 0.00 WAT +ATOM 44017 H2 TIP3 12569 -31.139 -13.504 25.450 1.00 0.00 WAT +ATOM 44018 OH2 TIP3 12570 -29.756 -11.303 14.542 1.00 0.00 WAT +ATOM 44019 H1 TIP3 12570 -29.228 -11.794 15.185 1.00 0.00 WAT +ATOM 44020 H2 TIP3 12570 -30.643 -11.624 14.767 1.00 0.00 WAT +ATOM 44021 OH2 TIP3 12571 -28.891 -8.333 27.951 1.00 0.00 WAT +ATOM 44022 H1 TIP3 12571 -29.700 -8.761 27.605 1.00 0.00 WAT +ATOM 44023 H2 TIP3 12571 -28.824 -7.535 27.397 1.00 0.00 WAT +ATOM 44024 OH2 TIP3 12572 -40.997 -20.844 27.713 1.00 0.00 WAT +ATOM 44025 H1 TIP3 12572 -41.853 -20.485 27.414 1.00 0.00 WAT +ATOM 44026 H2 TIP3 12572 -41.225 -21.709 28.099 1.00 0.00 WAT +ATOM 44027 OH2 TIP3 12573 -28.664 -12.719 17.041 1.00 0.00 WAT +ATOM 44028 H1 TIP3 12573 -29.043 -13.495 17.490 1.00 0.00 WAT +ATOM 44029 H2 TIP3 12573 -27.716 -12.955 17.033 1.00 0.00 WAT +ATOM 44030 OH2 TIP3 12574 -41.266 -9.219 26.246 1.00 0.00 WAT +ATOM 44031 H1 TIP3 12574 -40.904 -10.122 26.278 1.00 0.00 WAT +ATOM 44032 H2 TIP3 12574 -40.751 -8.827 26.962 1.00 0.00 WAT +ATOM 44033 OH2 TIP3 12575 -35.446 -10.488 13.111 1.00 0.00 WAT +ATOM 44034 H1 TIP3 12575 -35.159 -11.233 12.550 1.00 0.00 WAT +ATOM 44035 H2 TIP3 12575 -35.878 -10.961 13.841 1.00 0.00 WAT +ATOM 44036 OH2 TIP3 12576 -36.644 -11.003 15.820 1.00 0.00 WAT +ATOM 44037 H1 TIP3 12576 -36.129 -11.549 16.433 1.00 0.00 WAT +ATOM 44038 H2 TIP3 12576 -36.485 -10.096 16.151 1.00 0.00 WAT +ATOM 44039 OH2 TIP3 12577 -39.877 -13.587 16.129 1.00 0.00 WAT +ATOM 44040 H1 TIP3 12577 -40.560 -13.169 16.707 1.00 0.00 WAT +ATOM 44041 H2 TIP3 12577 -39.363 -12.798 15.896 1.00 0.00 WAT +ATOM 44042 OH2 TIP3 12578 -32.115 -21.067 26.225 1.00 0.00 WAT +ATOM 44043 H1 TIP3 12578 -31.476 -20.814 26.908 1.00 0.00 WAT +ATOM 44044 H2 TIP3 12578 -32.595 -21.810 26.641 1.00 0.00 WAT +ATOM 44045 OH2 TIP3 12579 -31.499 -21.621 17.471 1.00 0.00 WAT +ATOM 44046 H1 TIP3 12579 -31.272 -21.138 16.658 1.00 0.00 WAT +ATOM 44047 H2 TIP3 12579 -30.998 -21.131 18.144 1.00 0.00 WAT +ATOM 44048 OH2 TIP3 12580 -33.592 -9.179 16.484 1.00 0.00 WAT +ATOM 44049 H1 TIP3 12580 -34.520 -8.887 16.523 1.00 0.00 WAT +ATOM 44050 H2 TIP3 12580 -33.356 -8.988 15.560 1.00 0.00 WAT +ATOM 44051 OH2 TIP3 12581 -34.069 -19.646 18.416 1.00 0.00 WAT +ATOM 44052 H1 TIP3 12581 -33.297 -19.056 18.536 1.00 0.00 WAT +ATOM 44053 H2 TIP3 12581 -34.334 -19.811 19.341 1.00 0.00 WAT +ATOM 44054 OH2 TIP3 12582 -33.670 -18.660 27.574 1.00 0.00 WAT +ATOM 44055 H1 TIP3 12582 -33.591 -18.182 28.418 1.00 0.00 WAT +ATOM 44056 H2 TIP3 12582 -33.173 -19.467 27.762 1.00 0.00 WAT +ATOM 44057 OH2 TIP3 12583 -33.462 -22.630 19.360 1.00 0.00 WAT +ATOM 44058 H1 TIP3 12583 -33.654 -21.930 20.012 1.00 0.00 WAT +ATOM 44059 H2 TIP3 12583 -32.730 -22.222 18.852 1.00 0.00 WAT +ATOM 44060 OH2 TIP3 12584 -36.391 -8.294 16.435 1.00 0.00 WAT +ATOM 44061 H1 TIP3 12584 -36.572 -7.507 15.889 1.00 0.00 WAT +ATOM 44062 H2 TIP3 12584 -36.574 -7.964 17.337 1.00 0.00 WAT +ATOM 44063 OH2 TIP3 12585 -37.749 -21.631 15.955 1.00 0.00 WAT +ATOM 44064 H1 TIP3 12585 -37.641 -20.817 16.476 1.00 0.00 WAT +ATOM 44065 H2 TIP3 12585 -36.925 -22.109 16.187 1.00 0.00 WAT +ATOM 44066 OH2 TIP3 12586 -27.414 -20.717 28.466 1.00 0.00 WAT +ATOM 44067 H1 TIP3 12586 -28.369 -20.592 28.297 1.00 0.00 WAT +ATOM 44068 H2 TIP3 12586 -27.141 -20.958 27.568 1.00 0.00 WAT +ATOM 44069 OH2 TIP3 12587 -28.904 -16.873 22.506 1.00 0.00 WAT +ATOM 44070 H1 TIP3 12587 -29.713 -17.334 22.215 1.00 0.00 WAT +ATOM 44071 H2 TIP3 12587 -28.410 -17.595 22.954 1.00 0.00 WAT +ATOM 44072 OH2 TIP3 12588 -39.329 -10.727 14.950 1.00 0.00 WAT +ATOM 44073 H1 TIP3 12588 -38.561 -10.312 15.375 1.00 0.00 WAT +ATOM 44074 H2 TIP3 12588 -38.869 -11.283 14.303 1.00 0.00 WAT +ATOM 44075 OH2 TIP3 12589 -41.152 -18.603 14.169 1.00 0.00 WAT +ATOM 44076 H1 TIP3 12589 -41.070 -17.650 14.329 1.00 0.00 WAT +ATOM 44077 H2 TIP3 12589 -41.927 -18.685 13.606 1.00 0.00 WAT +ATOM 44078 OH2 TIP3 12590 -40.264 -23.613 22.834 1.00 0.00 WAT +ATOM 44079 H1 TIP3 12590 -40.579 -23.638 21.913 1.00 0.00 WAT +ATOM 44080 H2 TIP3 12590 -40.679 -24.416 23.211 1.00 0.00 WAT +ATOM 44081 OH2 TIP3 12591 -41.370 -9.975 19.101 1.00 0.00 WAT +ATOM 44082 H1 TIP3 12591 -42.262 -9.604 19.177 1.00 0.00 WAT +ATOM 44083 H2 TIP3 12591 -41.038 -9.548 18.301 1.00 0.00 WAT +ATOM 44084 OH2 TIP3 12592 -42.146 -7.196 30.341 1.00 0.00 WAT +ATOM 44085 H1 TIP3 12592 -41.505 -7.203 31.076 1.00 0.00 WAT +ATOM 44086 H2 TIP3 12592 -42.139 -8.149 30.156 1.00 0.00 WAT +ATOM 44087 OH2 TIP3 12593 -37.374 -8.143 31.846 1.00 0.00 WAT +ATOM 44088 H1 TIP3 12593 -36.669 -8.744 32.132 1.00 0.00 WAT +ATOM 44089 H2 TIP3 12593 -37.490 -8.424 30.929 1.00 0.00 WAT +ATOM 44090 OH2 TIP3 12594 -33.219 -8.839 13.697 1.00 0.00 WAT +ATOM 44091 H1 TIP3 12594 -33.947 -9.450 13.446 1.00 0.00 WAT +ATOM 44092 H2 TIP3 12594 -32.465 -9.284 13.261 1.00 0.00 WAT +ATOM 44093 OH2 TIP3 12595 -30.768 -9.808 30.624 1.00 0.00 WAT +ATOM 44094 H1 TIP3 12595 -31.210 -10.591 31.004 1.00 0.00 WAT +ATOM 44095 H2 TIP3 12595 -30.113 -9.590 31.310 1.00 0.00 WAT +ATOM 44096 OH2 TIP3 12596 -42.019 -13.113 30.991 1.00 0.00 WAT +ATOM 44097 H1 TIP3 12596 -41.882 -13.992 30.613 1.00 0.00 WAT +ATOM 44098 H2 TIP3 12596 -42.890 -12.867 30.646 1.00 0.00 WAT +ATOM 44099 OH2 TIP3 12597 -37.814 -13.072 13.425 1.00 0.00 WAT +ATOM 44100 H1 TIP3 12597 -37.602 -13.672 14.159 1.00 0.00 WAT +ATOM 44101 H2 TIP3 12597 -36.971 -13.095 12.925 1.00 0.00 WAT +ATOM 44102 OH2 TIP3 12598 -35.459 -13.220 30.573 1.00 0.00 WAT +ATOM 44103 H1 TIP3 12598 -35.827 -12.990 29.709 1.00 0.00 WAT +ATOM 44104 H2 TIP3 12598 -35.351 -14.189 30.504 1.00 0.00 WAT +ATOM 44105 OH2 TIP3 12599 -32.598 -11.744 13.042 1.00 0.00 WAT +ATOM 44106 H1 TIP3 12599 -32.583 -11.820 14.008 1.00 0.00 WAT +ATOM 44107 H2 TIP3 12599 -32.607 -12.692 12.794 1.00 0.00 WAT +ATOM 44108 OH2 TIP3 12600 -30.009 -13.692 28.121 1.00 0.00 WAT +ATOM 44109 H1 TIP3 12600 -29.250 -13.106 27.977 1.00 0.00 WAT +ATOM 44110 H2 TIP3 12600 -30.746 -13.059 28.135 1.00 0.00 WAT +ATOM 44111 OH2 TIP3 12601 -41.397 -16.488 30.726 1.00 0.00 WAT +ATOM 44112 H1 TIP3 12601 -40.562 -16.976 30.606 1.00 0.00 WAT +ATOM 44113 H2 TIP3 12601 -41.259 -16.108 31.608 1.00 0.00 WAT +ATOM 44114 OH2 TIP3 12602 -36.729 -14.978 15.762 1.00 0.00 WAT +ATOM 44115 H1 TIP3 12602 -37.314 -15.521 16.310 1.00 0.00 WAT +ATOM 44116 H2 TIP3 12602 -36.411 -15.642 15.114 1.00 0.00 WAT +ATOM 44117 OH2 TIP3 12603 -37.459 -17.212 28.046 1.00 0.00 WAT +ATOM 44118 H1 TIP3 12603 -38.075 -16.465 28.182 1.00 0.00 WAT +ATOM 44119 H2 TIP3 12603 -36.843 -16.840 27.387 1.00 0.00 WAT +ATOM 44120 OH2 TIP3 12604 -35.758 -16.957 14.017 1.00 0.00 WAT +ATOM 44121 H1 TIP3 12604 -35.784 -16.891 13.044 1.00 0.00 WAT +ATOM 44122 H2 TIP3 12604 -34.797 -17.022 14.175 1.00 0.00 WAT +ATOM 44123 OH2 TIP3 12605 -32.222 -14.529 31.564 1.00 0.00 WAT +ATOM 44124 H1 TIP3 12605 -31.318 -14.689 31.256 1.00 0.00 WAT +ATOM 44125 H2 TIP3 12605 -32.450 -15.382 31.955 1.00 0.00 WAT +ATOM 44126 OH2 TIP3 12606 -36.912 -19.922 29.150 1.00 0.00 WAT +ATOM 44127 H1 TIP3 12606 -36.844 -20.582 28.434 1.00 0.00 WAT +ATOM 44128 H2 TIP3 12606 -37.114 -19.113 28.648 1.00 0.00 WAT +ATOM 44129 OH2 TIP3 12607 -36.570 -21.457 26.611 1.00 0.00 WAT +ATOM 44130 H1 TIP3 12607 -36.051 -20.944 25.962 1.00 0.00 WAT +ATOM 44131 H2 TIP3 12607 -37.477 -21.433 26.239 1.00 0.00 WAT +ATOM 44132 OH2 TIP3 12608 -35.120 -15.891 26.845 1.00 0.00 WAT +ATOM 44133 H1 TIP3 12608 -34.244 -15.939 26.434 1.00 0.00 WAT +ATOM 44134 H2 TIP3 12608 -35.398 -14.985 26.629 1.00 0.00 WAT +ATOM 44135 OH2 TIP3 12609 -30.445 -18.092 31.806 1.00 0.00 WAT +ATOM 44136 H1 TIP3 12609 -30.201 -19.027 31.885 1.00 0.00 WAT +ATOM 44137 H2 TIP3 12609 -29.571 -17.677 31.724 1.00 0.00 WAT +ATOM 44138 OH2 TIP3 12610 -29.478 -15.300 30.271 1.00 0.00 WAT +ATOM 44139 H1 TIP3 12610 -29.819 -14.686 29.587 1.00 0.00 WAT +ATOM 44140 H2 TIP3 12610 -28.581 -15.455 29.915 1.00 0.00 WAT +ATOM 44141 OH2 TIP3 12611 -38.764 -18.058 30.964 1.00 0.00 WAT +ATOM 44142 H1 TIP3 12611 -39.296 -18.873 30.932 1.00 0.00 WAT +ATOM 44143 H2 TIP3 12611 -37.974 -18.314 30.464 1.00 0.00 WAT +ATOM 44144 OH2 TIP3 12612 -35.861 -24.136 26.968 1.00 0.00 WAT +ATOM 44145 H1 TIP3 12612 -36.028 -23.187 26.785 1.00 0.00 WAT +ATOM 44146 H2 TIP3 12612 -36.548 -24.558 26.415 1.00 0.00 WAT +ATOM 44147 OH2 TIP3 12613 -34.593 -19.652 30.735 1.00 0.00 WAT +ATOM 44148 H1 TIP3 12613 -34.996 -19.783 31.611 1.00 0.00 WAT +ATOM 44149 H2 TIP3 12613 -35.385 -19.797 30.174 1.00 0.00 WAT +ATOM 44150 OH2 TIP3 12614 -32.041 -20.506 29.598 1.00 0.00 WAT +ATOM 44151 H1 TIP3 12614 -32.919 -20.458 30.018 1.00 0.00 WAT +ATOM 44152 H2 TIP3 12614 -31.567 -21.129 30.186 1.00 0.00 WAT +ATOM 44153 OH2 TIP3 12615 -30.257 -21.996 31.318 1.00 0.00 WAT +ATOM 44154 H1 TIP3 12615 -30.314 -22.963 31.457 1.00 0.00 WAT +ATOM 44155 H2 TIP3 12615 -30.373 -21.632 32.215 1.00 0.00 WAT +ATOM 44156 OH2 TIP3 12616 -40.138 -20.588 30.774 1.00 0.00 WAT +ATOM 44157 H1 TIP3 12616 -40.168 -21.311 30.127 1.00 0.00 WAT +ATOM 44158 H2 TIP3 12616 -40.327 -21.054 31.610 1.00 0.00 WAT +ATOM 44159 OH2 TIP3 12617 -35.935 -24.666 29.801 1.00 0.00 WAT +ATOM 44160 H1 TIP3 12617 -35.329 -25.426 29.763 1.00 0.00 WAT +ATOM 44161 H2 TIP3 12617 -36.031 -24.473 28.846 1.00 0.00 WAT +ATOM 44162 OH2 TIP3 12618 -35.145 -23.150 32.083 1.00 0.00 WAT +ATOM 44163 H1 TIP3 12618 -35.328 -23.548 31.207 1.00 0.00 WAT +ATOM 44164 H2 TIP3 12618 -35.704 -22.353 32.035 1.00 0.00 WAT +ATOM 44165 OH2 TIP3 12619 -35.964 -5.574 15.180 1.00 0.00 WAT +ATOM 44166 H1 TIP3 12619 -35.029 -5.772 15.074 1.00 0.00 WAT +ATOM 44167 H2 TIP3 12619 -36.207 -5.318 14.280 1.00 0.00 WAT +ATOM 44168 OH2 TIP3 12620 -42.008 -10.865 14.196 1.00 0.00 WAT +ATOM 44169 H1 TIP3 12620 -41.209 -10.894 14.759 1.00 0.00 WAT +ATOM 44170 H2 TIP3 12620 -42.133 -11.795 13.958 1.00 0.00 WAT +ATOM 44171 OH2 TIP3 12621 -42.742 -8.073 21.324 1.00 0.00 WAT +ATOM 44172 H1 TIP3 12621 -42.756 -8.958 21.733 1.00 0.00 WAT +ATOM 44173 H2 TIP3 12621 -42.412 -7.563 22.080 1.00 0.00 WAT +ATOM 44174 OH2 TIP3 12622 -25.347 -6.939 24.283 1.00 0.00 WAT +ATOM 44175 H1 TIP3 12622 -25.182 -6.997 25.233 1.00 0.00 WAT +ATOM 44176 H2 TIP3 12622 -24.478 -6.702 23.938 1.00 0.00 WAT +ATOM 44177 OH2 TIP3 12623 -25.251 -7.397 27.263 1.00 0.00 WAT +ATOM 44178 H1 TIP3 12623 -25.771 -8.129 26.885 1.00 0.00 WAT +ATOM 44179 H2 TIP3 12623 -24.695 -7.885 27.892 1.00 0.00 WAT +ATOM 44180 OH2 TIP3 12624 -27.259 -11.987 31.527 1.00 0.00 WAT +ATOM 44181 H1 TIP3 12624 -28.141 -11.917 31.932 1.00 0.00 WAT +ATOM 44182 H2 TIP3 12624 -26.807 -11.192 31.856 1.00 0.00 WAT +ATOM 44183 OH2 TIP3 12625 -25.916 -13.167 17.258 1.00 0.00 WAT +ATOM 44184 H1 TIP3 12625 -25.026 -12.778 17.375 1.00 0.00 WAT +ATOM 44185 H2 TIP3 12625 -25.907 -13.825 17.985 1.00 0.00 WAT +ATOM 44186 OH2 TIP3 12626 -25.430 -15.089 19.283 1.00 0.00 WAT +ATOM 44187 H1 TIP3 12626 -26.061 -15.717 19.686 1.00 0.00 WAT +ATOM 44188 H2 TIP3 12626 -24.709 -15.037 19.940 1.00 0.00 WAT +ATOM 44189 OH2 TIP3 12627 -25.772 -12.546 24.160 1.00 0.00 WAT +ATOM 44190 H1 TIP3 12627 -25.152 -13.122 23.682 1.00 0.00 WAT +ATOM 44191 H2 TIP3 12627 -25.422 -11.665 23.935 1.00 0.00 WAT +ATOM 44192 OH2 TIP3 12628 -26.980 -9.615 26.374 1.00 0.00 WAT +ATOM 44193 H1 TIP3 12628 -27.664 -9.259 26.978 1.00 0.00 WAT +ATOM 44194 H2 TIP3 12628 -27.460 -10.266 25.857 1.00 0.00 WAT +ATOM 44195 OH2 TIP3 12629 -25.283 -15.530 15.563 1.00 0.00 WAT +ATOM 44196 H1 TIP3 12629 -25.642 -15.190 14.736 1.00 0.00 WAT +ATOM 44197 H2 TIP3 12629 -25.385 -14.777 16.164 1.00 0.00 WAT +ATOM 44198 OH2 TIP3 12630 -26.904 -18.074 13.992 1.00 0.00 WAT +ATOM 44199 H1 TIP3 12630 -26.582 -17.552 13.238 1.00 0.00 WAT +ATOM 44200 H2 TIP3 12630 -27.081 -18.938 13.567 1.00 0.00 WAT +ATOM 44201 OH2 TIP3 12631 -27.490 -16.994 20.063 1.00 0.00 WAT +ATOM 44202 H1 TIP3 12631 -27.522 -17.950 19.890 1.00 0.00 WAT +ATOM 44203 H2 TIP3 12631 -27.865 -16.928 20.962 1.00 0.00 WAT +ATOM 44204 OH2 TIP3 12632 -42.569 -14.506 24.045 1.00 0.00 WAT +ATOM 44205 H1 TIP3 12632 -42.193 -14.252 23.191 1.00 0.00 WAT +ATOM 44206 H2 TIP3 12632 -41.776 -14.886 24.481 1.00 0.00 WAT +ATOM 44207 OH2 TIP3 12633 -26.857 -15.057 29.196 1.00 0.00 WAT +ATOM 44208 H1 TIP3 12633 -26.144 -15.700 29.371 1.00 0.00 WAT +ATOM 44209 H2 TIP3 12633 -26.364 -14.240 29.052 1.00 0.00 WAT +ATOM 44210 OH2 TIP3 12634 -25.321 -16.967 30.435 1.00 0.00 WAT +ATOM 44211 H1 TIP3 12634 -26.100 -17.516 30.205 1.00 0.00 WAT +ATOM 44212 H2 TIP3 12634 -24.603 -17.628 30.404 1.00 0.00 WAT +ATOM 44213 OH2 TIP3 12635 -27.424 -20.770 13.355 1.00 0.00 WAT +ATOM 44214 H1 TIP3 12635 -26.803 -21.302 13.881 1.00 0.00 WAT +ATOM 44215 H2 TIP3 12635 -28.183 -21.353 13.224 1.00 0.00 WAT +ATOM 44216 OH2 TIP3 12636 -27.583 -19.497 18.246 1.00 0.00 WAT +ATOM 44217 H1 TIP3 12636 -27.329 -20.445 18.280 1.00 0.00 WAT +ATOM 44218 H2 TIP3 12636 -26.794 -19.122 17.813 1.00 0.00 WAT +ATOM 44219 OH2 TIP3 12637 -27.367 -18.868 23.678 1.00 0.00 WAT +ATOM 44220 H1 TIP3 12637 -26.391 -18.792 23.644 1.00 0.00 WAT +ATOM 44221 H2 TIP3 12637 -27.499 -18.881 24.642 1.00 0.00 WAT +ATOM 44222 OH2 TIP3 12638 -27.202 -18.199 26.515 1.00 0.00 WAT +ATOM 44223 H1 TIP3 12638 -28.060 -17.807 26.761 1.00 0.00 WAT +ATOM 44224 H2 TIP3 12638 -26.674 -17.411 26.289 1.00 0.00 WAT +ATOM 44225 OH2 TIP3 12639 -42.859 -19.588 30.067 1.00 0.00 WAT +ATOM 44226 H1 TIP3 12639 -41.962 -19.952 30.137 1.00 0.00 WAT +ATOM 44227 H2 TIP3 12639 -43.432 -20.315 30.349 1.00 0.00 WAT +ATOM 44228 OH2 TIP3 12640 -24.677 -24.032 31.769 1.00 0.00 WAT +ATOM 44229 H1 TIP3 12640 -24.223 -24.728 31.258 1.00 0.00 WAT +ATOM 44230 H2 TIP3 12640 -24.601 -23.260 31.178 1.00 0.00 WAT +ATOM 44231 OH2 TIP3 12641 -27.131 -22.284 18.226 1.00 0.00 WAT +ATOM 44232 H1 TIP3 12641 -27.005 -22.622 19.129 1.00 0.00 WAT +ATOM 44233 H2 TIP3 12641 -27.920 -22.788 17.938 1.00 0.00 WAT +ATOM 44234 OH2 TIP3 12642 -41.948 -20.963 23.278 1.00 0.00 WAT +ATOM 44235 H1 TIP3 12642 -41.636 -21.880 23.265 1.00 0.00 WAT +ATOM 44236 H2 TIP3 12642 -41.124 -20.466 23.433 1.00 0.00 WAT +ATOM 44237 OH2 TIP3 12643 -43.516 -18.349 23.957 1.00 0.00 WAT +ATOM 44238 H1 TIP3 12643 -42.981 -18.957 23.423 1.00 0.00 WAT +ATOM 44239 H2 TIP3 12643 -43.058 -17.514 23.818 1.00 0.00 WAT +ATOM 44240 OH2 TIP3 12644 -25.258 -21.972 30.020 1.00 0.00 WAT +ATOM 44241 H1 TIP3 12644 -26.145 -21.572 30.071 1.00 0.00 WAT +ATOM 44242 H2 TIP3 12644 -25.376 -22.543 29.240 1.00 0.00 WAT +ATOM 44243 OH2 TIP3 12645 -25.147 -21.843 14.932 1.00 0.00 WAT +ATOM 44244 H1 TIP3 12645 -24.843 -22.601 14.405 1.00 0.00 WAT +ATOM 44245 H2 TIP3 12645 -24.370 -21.261 14.898 1.00 0.00 WAT +ATOM 44246 OH2 TIP3 12646 -43.130 -22.288 17.632 1.00 0.00 WAT +ATOM 44247 H1 TIP3 12646 -43.977 -21.990 17.273 1.00 0.00 WAT +ATOM 44248 H2 TIP3 12646 -42.541 -21.576 17.287 1.00 0.00 WAT +ATOM 44249 OH2 TIP3 12647 -42.918 -23.329 25.982 1.00 0.00 WAT +ATOM 44250 H1 TIP3 12647 -43.587 -23.399 26.702 1.00 0.00 WAT +ATOM 44251 H2 TIP3 12647 -43.352 -22.797 25.300 1.00 0.00 WAT +ATOM 44252 OH2 TIP3 12648 -41.036 -9.832 30.592 1.00 0.00 WAT +ATOM 44253 H1 TIP3 12648 -41.606 -10.342 30.018 1.00 0.00 WAT +ATOM 44254 H2 TIP3 12648 -41.211 -10.229 31.471 1.00 0.00 WAT +ATOM 44255 OH2 TIP3 12649 -33.525 -7.691 29.616 1.00 0.00 WAT +ATOM 44256 H1 TIP3 12649 -33.397 -8.026 30.515 1.00 0.00 WAT +ATOM 44257 H2 TIP3 12649 -32.639 -7.377 29.373 1.00 0.00 WAT +ATOM 44258 OH2 TIP3 12650 -31.143 -6.318 28.769 1.00 0.00 WAT +ATOM 44259 H1 TIP3 12650 -30.521 -7.045 28.638 1.00 0.00 WAT +ATOM 44260 H2 TIP3 12650 -30.923 -6.030 29.675 1.00 0.00 WAT +ATOM 44261 OH2 TIP3 12651 -26.408 -23.771 28.029 1.00 0.00 WAT +ATOM 44262 H1 TIP3 12651 -27.201 -23.576 27.499 1.00 0.00 WAT +ATOM 44263 H2 TIP3 12651 -26.174 -24.664 27.699 1.00 0.00 WAT +ATOM 44264 OH2 TIP3 12652 -40.717 -6.010 26.823 1.00 0.00 WAT +ATOM 44265 H1 TIP3 12652 -41.422 -5.514 26.371 1.00 0.00 WAT +ATOM 44266 H2 TIP3 12652 -41.061 -6.077 27.719 1.00 0.00 WAT +ATOM 44267 OH2 TIP3 12653 -38.191 -6.677 25.102 1.00 0.00 WAT +ATOM 44268 H1 TIP3 12653 -38.829 -6.704 25.834 1.00 0.00 WAT +ATOM 44269 H2 TIP3 12653 -38.164 -5.746 24.858 1.00 0.00 WAT +ATOM 44270 OH2 TIP3 12654 -33.234 -6.396 24.855 1.00 0.00 WAT +ATOM 44271 H1 TIP3 12654 -33.915 -6.076 24.244 1.00 0.00 WAT +ATOM 44272 H2 TIP3 12654 -33.471 -5.917 25.666 1.00 0.00 WAT +ATOM 44273 OH2 TIP3 12655 -31.032 -7.681 25.872 1.00 0.00 WAT +ATOM 44274 H1 TIP3 12655 -31.914 -7.360 25.589 1.00 0.00 WAT +ATOM 44275 H2 TIP3 12655 -30.554 -6.844 25.929 1.00 0.00 WAT +ATOM 44276 OH2 TIP3 12656 -28.384 -6.120 25.882 1.00 0.00 WAT +ATOM 44277 H1 TIP3 12656 -28.527 -5.161 25.808 1.00 0.00 WAT +ATOM 44278 H2 TIP3 12656 -28.046 -6.316 24.989 1.00 0.00 WAT +ATOM 44279 OH2 TIP3 12657 -41.249 -7.327 23.802 1.00 0.00 WAT +ATOM 44280 H1 TIP3 12657 -41.336 -7.726 24.690 1.00 0.00 WAT +ATOM 44281 H2 TIP3 12657 -40.440 -7.767 23.494 1.00 0.00 WAT +ATOM 44282 OH2 TIP3 12658 -39.028 -8.661 22.281 1.00 0.00 WAT +ATOM 44283 H1 TIP3 12658 -39.227 -9.553 22.640 1.00 0.00 WAT +ATOM 44284 H2 TIP3 12658 -38.247 -8.421 22.808 1.00 0.00 WAT +ATOM 44285 OH2 TIP3 12659 -36.120 -8.161 23.313 1.00 0.00 WAT +ATOM 44286 H1 TIP3 12659 -36.132 -9.122 23.148 1.00 0.00 WAT +ATOM 44287 H2 TIP3 12659 -36.396 -8.137 24.247 1.00 0.00 WAT +ATOM 44288 OH2 TIP3 12660 -32.976 -22.270 22.488 1.00 0.00 WAT +ATOM 44289 H1 TIP3 12660 -33.662 -22.953 22.618 1.00 0.00 WAT +ATOM 44290 H2 TIP3 12660 -32.366 -22.719 21.880 1.00 0.00 WAT +ATOM 44291 OH2 TIP3 12661 -28.020 -24.220 22.959 1.00 0.00 WAT +ATOM 44292 H1 TIP3 12661 -27.251 -23.807 22.528 1.00 0.00 WAT +ATOM 44293 H2 TIP3 12661 -28.752 -23.960 22.376 1.00 0.00 WAT +ATOM 44294 OH2 TIP3 12662 -25.941 -23.145 20.815 1.00 0.00 WAT +ATOM 44295 H1 TIP3 12662 -25.230 -23.567 20.297 1.00 0.00 WAT +ATOM 44296 H2 TIP3 12662 -25.606 -22.227 20.890 1.00 0.00 WAT +ATOM 44297 OH2 TIP3 12663 -41.081 -23.690 20.016 1.00 0.00 WAT +ATOM 44298 H1 TIP3 12663 -41.799 -23.992 19.446 1.00 0.00 WAT +ATOM 44299 H2 TIP3 12663 -40.453 -24.430 19.922 1.00 0.00 WAT +ATOM 44300 OH2 TIP3 12664 -41.828 -24.085 15.819 1.00 0.00 WAT +ATOM 44301 H1 TIP3 12664 -41.299 -23.426 15.327 1.00 0.00 WAT +ATOM 44302 H2 TIP3 12664 -42.319 -23.513 16.436 1.00 0.00 WAT +ATOM 44303 OH2 TIP3 12665 -36.164 -23.717 19.928 1.00 0.00 WAT +ATOM 44304 H1 TIP3 12665 -35.252 -23.426 19.758 1.00 0.00 WAT +ATOM 44305 H2 TIP3 12665 -36.147 -23.832 20.885 1.00 0.00 WAT +ATOM 44306 OH2 TIP3 12666 -30.560 -23.682 21.322 1.00 0.00 WAT +ATOM 44307 H1 TIP3 12666 -30.286 -23.836 20.408 1.00 0.00 WAT +ATOM 44308 H2 TIP3 12666 -30.935 -24.549 21.565 1.00 0.00 WAT +ATOM 44309 OH2 TIP3 12667 -29.452 -23.682 17.341 1.00 0.00 WAT +ATOM 44310 H1 TIP3 12667 -30.272 -23.192 17.147 1.00 0.00 WAT +ATOM 44311 H2 TIP3 12667 -29.790 -24.589 17.433 1.00 0.00 WAT +ATOM 44312 OH2 TIP3 12668 -41.908 -8.050 16.885 1.00 0.00 WAT +ATOM 44313 H1 TIP3 12668 -42.478 -8.243 16.133 1.00 0.00 WAT +ATOM 44314 H2 TIP3 12668 -41.827 -7.088 16.835 1.00 0.00 WAT +ATOM 44315 OH2 TIP3 12669 -40.053 -22.195 14.364 1.00 0.00 WAT +ATOM 44316 H1 TIP3 12669 -39.485 -22.790 13.844 1.00 0.00 WAT +ATOM 44317 H2 TIP3 12669 -39.430 -21.909 15.062 1.00 0.00 WAT +ATOM 44318 OH2 TIP3 12670 -35.014 -22.045 16.983 1.00 0.00 WAT +ATOM 44319 H1 TIP3 12670 -34.641 -22.638 17.652 1.00 0.00 WAT +ATOM 44320 H2 TIP3 12670 -34.759 -21.185 17.356 1.00 0.00 WAT +ATOM 44321 OH2 TIP3 12671 -32.645 -6.062 15.099 1.00 0.00 WAT +ATOM 44322 H1 TIP3 12671 -31.718 -6.366 15.024 1.00 0.00 WAT +ATOM 44323 H2 TIP3 12671 -33.064 -6.789 14.605 1.00 0.00 WAT +ATOM 44324 OH2 TIP3 12672 -26.728 -7.159 18.045 1.00 0.00 WAT +ATOM 44325 H1 TIP3 12672 -26.811 -7.995 17.555 1.00 0.00 WAT +ATOM 44326 H2 TIP3 12672 -26.351 -6.562 17.388 1.00 0.00 WAT +ATOM 44327 OH2 TIP3 12673 -40.806 -23.287 29.539 1.00 0.00 WAT +ATOM 44328 H1 TIP3 12673 -41.260 -24.048 29.937 1.00 0.00 WAT +ATOM 44329 H2 TIP3 12673 -39.892 -23.435 29.838 1.00 0.00 WAT +ATOM 44330 OH2 TIP3 12674 -38.468 -23.917 31.300 1.00 0.00 WAT +ATOM 44331 H1 TIP3 12674 -37.639 -24.257 30.914 1.00 0.00 WAT +ATOM 44332 H2 TIP3 12674 -38.858 -24.715 31.701 1.00 0.00 WAT +ATOM 44333 OH2 TIP3 12675 -40.121 -7.069 13.855 1.00 0.00 WAT +ATOM 44334 H1 TIP3 12675 -40.390 -6.894 14.768 1.00 0.00 WAT +ATOM 44335 H2 TIP3 12675 -39.432 -7.745 13.967 1.00 0.00 WAT +ATOM 44336 OH2 TIP3 12676 -30.279 -24.784 31.435 1.00 0.00 WAT +ATOM 44337 H1 TIP3 12676 -30.300 -25.206 32.312 1.00 0.00 WAT +ATOM 44338 H2 TIP3 12676 -29.330 -24.847 31.205 1.00 0.00 WAT +ATOM 44339 OH2 TIP3 12677 -26.945 -8.487 30.151 1.00 0.00 WAT +ATOM 44340 H1 TIP3 12677 -27.699 -8.680 29.566 1.00 0.00 WAT +ATOM 44341 H2 TIP3 12677 -27.120 -7.552 30.370 1.00 0.00 WAT +ATOM 44342 OH2 TIP3 12678 -13.897 -15.431 23.219 1.00 0.00 WAT +ATOM 44343 H1 TIP3 12678 -13.841 -15.808 24.112 1.00 0.00 WAT +ATOM 44344 H2 TIP3 12678 -14.227 -16.197 22.723 1.00 0.00 WAT +ATOM 44345 OH2 TIP3 12679 -21.450 -15.772 25.054 1.00 0.00 WAT +ATOM 44346 H1 TIP3 12679 -21.434 -16.534 25.662 1.00 0.00 WAT +ATOM 44347 H2 TIP3 12679 -20.707 -15.251 25.392 1.00 0.00 WAT +ATOM 44348 OH2 TIP3 12680 -10.583 -12.542 21.634 1.00 0.00 WAT +ATOM 44349 H1 TIP3 12680 -10.457 -13.312 22.198 1.00 0.00 WAT +ATOM 44350 H2 TIP3 12680 -9.889 -11.949 21.933 1.00 0.00 WAT +ATOM 44351 OH2 TIP3 12681 -20.795 -11.175 23.568 1.00 0.00 WAT +ATOM 44352 H1 TIP3 12681 -20.981 -12.099 23.294 1.00 0.00 WAT +ATOM 44353 H2 TIP3 12681 -19.840 -11.247 23.734 1.00 0.00 WAT +ATOM 44354 OH2 TIP3 12682 -23.798 -17.754 18.973 1.00 0.00 WAT +ATOM 44355 H1 TIP3 12682 -24.177 -16.864 18.996 1.00 0.00 WAT +ATOM 44356 H2 TIP3 12682 -24.461 -18.236 18.461 1.00 0.00 WAT +ATOM 44357 OH2 TIP3 12683 -22.965 -15.279 20.796 1.00 0.00 WAT +ATOM 44358 H1 TIP3 12683 -22.804 -16.129 21.252 1.00 0.00 WAT +ATOM 44359 H2 TIP3 12683 -22.147 -15.181 20.287 1.00 0.00 WAT +ATOM 44360 OH2 TIP3 12684 -13.343 -7.713 22.198 1.00 0.00 WAT +ATOM 44361 H1 TIP3 12684 -12.593 -8.296 21.991 1.00 0.00 WAT +ATOM 44362 H2 TIP3 12684 -13.456 -7.869 23.146 1.00 0.00 WAT +ATOM 44363 OH2 TIP3 12685 -15.404 -12.883 23.954 1.00 0.00 WAT +ATOM 44364 H1 TIP3 12685 -15.068 -13.563 23.346 1.00 0.00 WAT +ATOM 44365 H2 TIP3 12685 -14.583 -12.699 24.450 1.00 0.00 WAT +ATOM 44366 OH2 TIP3 12686 -6.563 -21.327 24.433 1.00 0.00 WAT +ATOM 44367 H1 TIP3 12686 -6.362 -20.711 25.153 1.00 0.00 WAT +ATOM 44368 H2 TIP3 12686 -5.981 -20.969 23.738 1.00 0.00 WAT +ATOM 44369 OH2 TIP3 12687 -12.191 -18.539 24.433 1.00 0.00 WAT +ATOM 44370 H1 TIP3 12687 -11.940 -19.476 24.460 1.00 0.00 WAT +ATOM 44371 H2 TIP3 12687 -12.126 -18.351 23.484 1.00 0.00 WAT +ATOM 44372 OH2 TIP3 12688 -19.148 -20.510 21.527 1.00 0.00 WAT +ATOM 44373 H1 TIP3 12688 -18.991 -19.661 21.068 1.00 0.00 WAT +ATOM 44374 H2 TIP3 12688 -19.492 -21.035 20.777 1.00 0.00 WAT +ATOM 44375 OH2 TIP3 12689 -11.262 -20.293 19.822 1.00 0.00 WAT +ATOM 44376 H1 TIP3 12689 -10.692 -20.733 20.493 1.00 0.00 WAT +ATOM 44377 H2 TIP3 12689 -10.578 -19.869 19.274 1.00 0.00 WAT +ATOM 44378 OH2 TIP3 12690 -22.454 -17.788 22.034 1.00 0.00 WAT +ATOM 44379 H1 TIP3 12690 -21.811 -18.265 22.584 1.00 0.00 WAT +ATOM 44380 H2 TIP3 12690 -22.368 -18.262 21.186 1.00 0.00 WAT +ATOM 44381 OH2 TIP3 12691 -17.008 -16.391 21.440 1.00 0.00 WAT +ATOM 44382 H1 TIP3 12691 -16.358 -16.970 21.886 1.00 0.00 WAT +ATOM 44383 H2 TIP3 12691 -17.547 -17.047 20.960 1.00 0.00 WAT +ATOM 44384 OH2 TIP3 12692 -6.021 -19.979 27.053 1.00 0.00 WAT +ATOM 44385 H1 TIP3 12692 -6.588 -19.254 26.736 1.00 0.00 WAT +ATOM 44386 H2 TIP3 12692 -6.243 -19.987 27.991 1.00 0.00 WAT +ATOM 44387 OH2 TIP3 12693 -20.336 -21.728 25.678 1.00 0.00 WAT +ATOM 44388 H1 TIP3 12693 -20.741 -21.230 24.952 1.00 0.00 WAT +ATOM 44389 H2 TIP3 12693 -20.994 -21.585 26.388 1.00 0.00 WAT +ATOM 44390 OH2 TIP3 12694 -13.541 -12.421 19.567 1.00 0.00 WAT +ATOM 44391 H1 TIP3 12694 -12.816 -12.044 20.087 1.00 0.00 WAT +ATOM 44392 H2 TIP3 12694 -13.848 -11.630 19.088 1.00 0.00 WAT +ATOM 44393 OH2 TIP3 12695 -17.400 -13.838 25.810 1.00 0.00 WAT +ATOM 44394 H1 TIP3 12695 -18.135 -13.234 26.046 1.00 0.00 WAT +ATOM 44395 H2 TIP3 12695 -16.778 -13.242 25.351 1.00 0.00 WAT +ATOM 44396 OH2 TIP3 12696 -9.502 -21.139 21.874 1.00 0.00 WAT +ATOM 44397 H1 TIP3 12696 -9.841 -21.673 22.601 1.00 0.00 WAT +ATOM 44398 H2 TIP3 12696 -8.920 -20.512 22.342 1.00 0.00 WAT +ATOM 44399 OH2 TIP3 12697 -20.737 -19.675 23.622 1.00 0.00 WAT +ATOM 44400 H1 TIP3 12697 -20.080 -19.108 24.080 1.00 0.00 WAT +ATOM 44401 H2 TIP3 12697 -20.171 -20.044 22.907 1.00 0.00 WAT +ATOM 44402 OH2 TIP3 12698 -19.418 -11.974 26.542 1.00 0.00 WAT +ATOM 44403 H1 TIP3 12698 -19.446 -11.062 26.202 1.00 0.00 WAT +ATOM 44404 H2 TIP3 12698 -20.284 -12.022 26.986 1.00 0.00 WAT +ATOM 44405 OH2 TIP3 12699 -23.255 -12.126 17.347 1.00 0.00 WAT +ATOM 44406 H1 TIP3 12699 -23.354 -11.650 16.516 1.00 0.00 WAT +ATOM 44407 H2 TIP3 12699 -23.027 -11.403 17.973 1.00 0.00 WAT +ATOM 44408 OH2 TIP3 12700 -9.623 -10.721 24.332 1.00 0.00 WAT +ATOM 44409 H1 TIP3 12700 -10.581 -10.733 24.162 1.00 0.00 WAT +ATOM 44410 H2 TIP3 12700 -9.332 -10.041 23.712 1.00 0.00 WAT +ATOM 44411 OH2 TIP3 12701 -9.244 -21.927 25.669 1.00 0.00 WAT +ATOM 44412 H1 TIP3 12701 -10.032 -21.532 25.252 1.00 0.00 WAT +ATOM 44413 H2 TIP3 12701 -8.551 -21.734 25.010 1.00 0.00 WAT +ATOM 44414 OH2 TIP3 12702 -16.195 -24.238 22.760 1.00 0.00 WAT +ATOM 44415 H1 TIP3 12702 -16.427 -25.184 22.731 1.00 0.00 WAT +ATOM 44416 H2 TIP3 12702 -17.013 -23.844 23.133 1.00 0.00 WAT +ATOM 44417 OH2 TIP3 12703 -10.901 -8.896 20.739 1.00 0.00 WAT +ATOM 44418 H1 TIP3 12703 -10.593 -9.688 20.270 1.00 0.00 WAT +ATOM 44419 H2 TIP3 12703 -10.958 -8.264 20.019 1.00 0.00 WAT +ATOM 44420 OH2 TIP3 12704 -8.353 -12.171 27.855 1.00 0.00 WAT +ATOM 44421 H1 TIP3 12704 -8.457 -12.836 27.148 1.00 0.00 WAT +ATOM 44422 H2 TIP3 12704 -8.217 -11.357 27.335 1.00 0.00 WAT +ATOM 44423 OH2 TIP3 12705 -13.619 -17.210 14.766 1.00 0.00 WAT +ATOM 44424 H1 TIP3 12705 -12.853 -16.799 15.174 1.00 0.00 WAT +ATOM 44425 H2 TIP3 12705 -13.344 -17.218 13.834 1.00 0.00 WAT +ATOM 44426 OH2 TIP3 12706 -6.596 -16.020 25.811 1.00 0.00 WAT +ATOM 44427 H1 TIP3 12706 -7.301 -15.348 25.844 1.00 0.00 WAT +ATOM 44428 H2 TIP3 12706 -6.105 -15.737 25.014 1.00 0.00 WAT +ATOM 44429 OH2 TIP3 12707 -10.856 -15.563 18.886 1.00 0.00 WAT +ATOM 44430 H1 TIP3 12707 -11.063 -14.626 18.967 1.00 0.00 WAT +ATOM 44431 H2 TIP3 12707 -9.994 -15.502 18.440 1.00 0.00 WAT +ATOM 44432 OH2 TIP3 12708 -10.766 -16.754 27.484 1.00 0.00 WAT +ATOM 44433 H1 TIP3 12708 -10.694 -15.919 27.976 1.00 0.00 WAT +ATOM 44434 H2 TIP3 12708 -11.374 -16.465 26.782 1.00 0.00 WAT +ATOM 44435 OH2 TIP3 12709 -19.054 -14.523 20.410 1.00 0.00 WAT +ATOM 44436 H1 TIP3 12709 -19.348 -14.940 19.574 1.00 0.00 WAT +ATOM 44437 H2 TIP3 12709 -18.371 -15.145 20.713 1.00 0.00 WAT +ATOM 44438 OH2 TIP3 12710 -17.685 -11.151 23.186 1.00 0.00 WAT +ATOM 44439 H1 TIP3 12710 -17.735 -11.426 22.258 1.00 0.00 WAT +ATOM 44440 H2 TIP3 12710 -16.853 -11.576 23.470 1.00 0.00 WAT +ATOM 44441 OH2 TIP3 12711 -18.393 -15.717 23.897 1.00 0.00 WAT +ATOM 44442 H1 TIP3 12711 -17.826 -15.658 23.105 1.00 0.00 WAT +ATOM 44443 H2 TIP3 12711 -18.004 -15.042 24.484 1.00 0.00 WAT +ATOM 44444 OH2 TIP3 12712 -12.553 -10.178 24.510 1.00 0.00 WAT +ATOM 44445 H1 TIP3 12712 -12.403 -9.551 25.236 1.00 0.00 WAT +ATOM 44446 H2 TIP3 12712 -12.647 -11.033 24.967 1.00 0.00 WAT +ATOM 44447 OH2 TIP3 12713 -17.563 -11.394 28.740 1.00 0.00 WAT +ATOM 44448 H1 TIP3 12713 -18.080 -10.718 29.212 1.00 0.00 WAT +ATOM 44449 H2 TIP3 12713 -18.189 -11.661 28.040 1.00 0.00 WAT +ATOM 44450 OH2 TIP3 12714 -20.629 -14.968 27.846 1.00 0.00 WAT +ATOM 44451 H1 TIP3 12714 -20.580 -14.414 28.647 1.00 0.00 WAT +ATOM 44452 H2 TIP3 12714 -21.582 -15.135 27.777 1.00 0.00 WAT +ATOM 44453 OH2 TIP3 12715 -14.002 -9.190 19.699 1.00 0.00 WAT +ATOM 44454 H1 TIP3 12715 -13.816 -8.766 20.543 1.00 0.00 WAT +ATOM 44455 H2 TIP3 12715 -14.534 -8.537 19.228 1.00 0.00 WAT +ATOM 44456 OH2 TIP3 12716 -19.463 -9.187 29.559 1.00 0.00 WAT +ATOM 44457 H1 TIP3 12716 -19.563 -9.157 28.591 1.00 0.00 WAT +ATOM 44458 H2 TIP3 12716 -20.340 -9.482 29.867 1.00 0.00 WAT +ATOM 44459 OH2 TIP3 12717 -8.197 -24.143 15.636 1.00 0.00 WAT +ATOM 44460 H1 TIP3 12717 -9.032 -23.943 16.095 1.00 0.00 WAT +ATOM 44461 H2 TIP3 12717 -7.824 -23.252 15.507 1.00 0.00 WAT +ATOM 44462 OH2 TIP3 12718 -20.127 -15.788 18.025 1.00 0.00 WAT +ATOM 44463 H1 TIP3 12718 -20.216 -15.073 17.366 1.00 0.00 WAT +ATOM 44464 H2 TIP3 12718 -20.711 -16.452 17.641 1.00 0.00 WAT +ATOM 44465 OH2 TIP3 12719 -24.062 -13.113 26.675 1.00 0.00 WAT +ATOM 44466 H1 TIP3 12719 -24.395 -13.169 25.762 1.00 0.00 WAT +ATOM 44467 H2 TIP3 12719 -23.859 -14.048 26.871 1.00 0.00 WAT +ATOM 44468 OH2 TIP3 12720 -23.979 -10.207 23.619 1.00 0.00 WAT +ATOM 44469 H1 TIP3 12720 -23.050 -10.491 23.623 1.00 0.00 WAT +ATOM 44470 H2 TIP3 12720 -23.970 -9.557 24.339 1.00 0.00 WAT +ATOM 44471 OH2 TIP3 12721 -5.573 -9.546 29.393 1.00 0.00 WAT +ATOM 44472 H1 TIP3 12721 -5.635 -10.486 29.139 1.00 0.00 WAT +ATOM 44473 H2 TIP3 12721 -6.499 -9.360 29.649 1.00 0.00 WAT +ATOM 44474 OH2 TIP3 12722 -14.917 -10.348 28.183 1.00 0.00 WAT +ATOM 44475 H1 TIP3 12722 -14.856 -9.511 28.685 1.00 0.00 WAT +ATOM 44476 H2 TIP3 12722 -15.824 -10.644 28.398 1.00 0.00 WAT +ATOM 44477 OH2 TIP3 12723 -20.787 -7.398 19.778 1.00 0.00 WAT +ATOM 44478 H1 TIP3 12723 -20.610 -7.839 20.630 1.00 0.00 WAT +ATOM 44479 H2 TIP3 12723 -21.673 -7.688 19.555 1.00 0.00 WAT +ATOM 44480 OH2 TIP3 12724 -8.803 -18.201 29.787 1.00 0.00 WAT +ATOM 44481 H1 TIP3 12724 -9.271 -17.812 29.035 1.00 0.00 WAT +ATOM 44482 H2 TIP3 12724 -8.733 -19.134 29.505 1.00 0.00 WAT +ATOM 44483 OH2 TIP3 12725 -21.836 -11.544 27.949 1.00 0.00 WAT +ATOM 44484 H1 TIP3 12725 -21.531 -12.034 28.741 1.00 0.00 WAT +ATOM 44485 H2 TIP3 12725 -22.536 -12.115 27.592 1.00 0.00 WAT +ATOM 44486 OH2 TIP3 12726 -18.619 -23.096 23.686 1.00 0.00 WAT +ATOM 44487 H1 TIP3 12726 -19.436 -23.145 23.158 1.00 0.00 WAT +ATOM 44488 H2 TIP3 12726 -18.838 -22.349 24.264 1.00 0.00 WAT +ATOM 44489 OH2 TIP3 12727 -14.248 -23.509 27.324 1.00 0.00 WAT +ATOM 44490 H1 TIP3 12727 -13.720 -24.033 27.958 1.00 0.00 WAT +ATOM 44491 H2 TIP3 12727 -15.153 -23.850 27.454 1.00 0.00 WAT +ATOM 44492 OH2 TIP3 12728 -11.099 -19.727 27.832 1.00 0.00 WAT +ATOM 44493 H1 TIP3 12728 -11.694 -19.868 28.591 1.00 0.00 WAT +ATOM 44494 H2 TIP3 12728 -11.142 -18.766 27.686 1.00 0.00 WAT +ATOM 44495 OH2 TIP3 12729 -14.415 -21.024 14.504 1.00 0.00 WAT +ATOM 44496 H1 TIP3 12729 -14.961 -20.954 15.289 1.00 0.00 WAT +ATOM 44497 H2 TIP3 12729 -14.918 -21.611 13.928 1.00 0.00 WAT +ATOM 44498 OH2 TIP3 12730 -18.770 -18.298 25.072 1.00 0.00 WAT +ATOM 44499 H1 TIP3 12730 -19.312 -18.168 25.865 1.00 0.00 WAT +ATOM 44500 H2 TIP3 12730 -18.674 -17.384 24.726 1.00 0.00 WAT +ATOM 44501 OH2 TIP3 12731 -18.805 -18.218 19.962 1.00 0.00 WAT +ATOM 44502 H1 TIP3 12731 -19.760 -18.294 19.790 1.00 0.00 WAT +ATOM 44503 H2 TIP3 12731 -18.452 -18.398 19.066 1.00 0.00 WAT +ATOM 44504 OH2 TIP3 12732 -13.501 -17.157 18.557 1.00 0.00 WAT +ATOM 44505 H1 TIP3 12732 -13.829 -16.784 17.730 1.00 0.00 WAT +ATOM 44506 H2 TIP3 12732 -12.584 -17.360 18.287 1.00 0.00 WAT +ATOM 44507 OH2 TIP3 12733 -14.033 -17.431 30.134 1.00 0.00 WAT +ATOM 44508 H1 TIP3 12733 -14.526 -18.213 30.458 1.00 0.00 WAT +ATOM 44509 H2 TIP3 12733 -13.145 -17.589 30.507 1.00 0.00 WAT +ATOM 44510 OH2 TIP3 12734 -12.452 -18.257 21.391 1.00 0.00 WAT +ATOM 44511 H1 TIP3 12734 -12.604 -17.663 20.636 1.00 0.00 WAT +ATOM 44512 H2 TIP3 12734 -12.122 -19.054 20.925 1.00 0.00 WAT +ATOM 44513 OH2 TIP3 12735 -21.476 -18.100 26.953 1.00 0.00 WAT +ATOM 44514 H1 TIP3 12735 -21.075 -17.851 27.794 1.00 0.00 WAT +ATOM 44515 H2 TIP3 12735 -21.761 -19.013 27.135 1.00 0.00 WAT +ATOM 44516 OH2 TIP3 12736 -18.021 -20.466 13.459 1.00 0.00 WAT +ATOM 44517 H1 TIP3 12736 -18.437 -20.901 14.223 1.00 0.00 WAT +ATOM 44518 H2 TIP3 12736 -18.769 -20.385 12.841 1.00 0.00 WAT +ATOM 44519 OH2 TIP3 12737 -24.595 -20.688 20.595 1.00 0.00 WAT +ATOM 44520 H1 TIP3 12737 -23.947 -20.698 21.321 1.00 0.00 WAT +ATOM 44521 H2 TIP3 12737 -24.090 -21.020 19.834 1.00 0.00 WAT +ATOM 44522 OH2 TIP3 12738 -22.951 -20.167 16.303 1.00 0.00 WAT +ATOM 44523 H1 TIP3 12738 -22.448 -19.719 15.587 1.00 0.00 WAT +ATOM 44524 H2 TIP3 12738 -23.684 -19.543 16.414 1.00 0.00 WAT +ATOM 44525 OH2 TIP3 12739 -13.284 -16.557 25.947 1.00 0.00 WAT +ATOM 44526 H1 TIP3 12739 -12.842 -17.274 25.432 1.00 0.00 WAT +ATOM 44527 H2 TIP3 12739 -13.565 -17.044 26.733 1.00 0.00 WAT +ATOM 44528 OH2 TIP3 12740 -16.054 -20.641 20.987 1.00 0.00 WAT +ATOM 44529 H1 TIP3 12740 -16.995 -20.661 21.224 1.00 0.00 WAT +ATOM 44530 H2 TIP3 12740 -15.628 -20.821 21.843 1.00 0.00 WAT +ATOM 44531 OH2 TIP3 12741 -21.514 -19.417 19.695 1.00 0.00 WAT +ATOM 44532 H1 TIP3 12741 -22.298 -19.130 19.194 1.00 0.00 WAT +ATOM 44533 H2 TIP3 12741 -21.196 -20.185 19.184 1.00 0.00 WAT +ATOM 44534 OH2 TIP3 12742 -17.844 -18.985 17.331 1.00 0.00 WAT +ATOM 44535 H1 TIP3 12742 -16.874 -18.924 17.339 1.00 0.00 WAT +ATOM 44536 H2 TIP3 12742 -18.097 -18.468 16.544 1.00 0.00 WAT +ATOM 44537 OH2 TIP3 12743 -11.646 -21.521 24.047 1.00 0.00 WAT +ATOM 44538 H1 TIP3 12743 -12.311 -21.480 24.767 1.00 0.00 WAT +ATOM 44539 H2 TIP3 12743 -12.209 -21.815 23.311 1.00 0.00 WAT +ATOM 44540 OH2 TIP3 12744 -19.272 -17.859 14.980 1.00 0.00 WAT +ATOM 44541 H1 TIP3 12744 -19.875 -18.212 14.311 1.00 0.00 WAT +ATOM 44542 H2 TIP3 12744 -18.480 -17.645 14.458 1.00 0.00 WAT +ATOM 44543 OH2 TIP3 12745 -8.677 -5.688 30.684 1.00 0.00 WAT +ATOM 44544 H1 TIP3 12745 -8.443 -5.275 29.834 1.00 0.00 WAT +ATOM 44545 H2 TIP3 12745 -7.928 -5.427 31.246 1.00 0.00 WAT +ATOM 44546 OH2 TIP3 12746 -20.753 -13.084 30.105 1.00 0.00 WAT +ATOM 44547 H1 TIP3 12746 -20.067 -13.008 30.802 1.00 0.00 WAT +ATOM 44548 H2 TIP3 12746 -21.550 -13.115 30.668 1.00 0.00 WAT +ATOM 44549 OH2 TIP3 12747 -15.041 -18.078 22.809 1.00 0.00 WAT +ATOM 44550 H1 TIP3 12747 -14.285 -18.483 22.350 1.00 0.00 WAT +ATOM 44551 H2 TIP3 12747 -15.163 -18.689 23.562 1.00 0.00 WAT +ATOM 44552 OH2 TIP3 12748 -19.726 -21.666 19.010 1.00 0.00 WAT +ATOM 44553 H1 TIP3 12748 -20.287 -22.452 19.114 1.00 0.00 WAT +ATOM 44554 H2 TIP3 12748 -18.937 -22.028 18.585 1.00 0.00 WAT +ATOM 44555 OH2 TIP3 12749 -16.080 -19.649 25.071 1.00 0.00 WAT +ATOM 44556 H1 TIP3 12749 -16.833 -19.038 25.085 1.00 0.00 WAT +ATOM 44557 H2 TIP3 12749 -15.567 -19.391 25.864 1.00 0.00 WAT +ATOM 44558 OH2 TIP3 12750 -15.633 -13.782 17.272 1.00 0.00 WAT +ATOM 44559 H1 TIP3 12750 -15.937 -13.826 16.349 1.00 0.00 WAT +ATOM 44560 H2 TIP3 12750 -15.749 -12.837 17.441 1.00 0.00 WAT +ATOM 44561 OH2 TIP3 12751 -8.713 -14.046 25.724 1.00 0.00 WAT +ATOM 44562 H1 TIP3 12751 -8.181 -13.543 25.071 1.00 0.00 WAT +ATOM 44563 H2 TIP3 12751 -9.537 -14.201 25.217 1.00 0.00 WAT +ATOM 44564 OH2 TIP3 12752 -11.816 -20.315 14.982 1.00 0.00 WAT +ATOM 44565 H1 TIP3 12752 -12.728 -20.180 14.651 1.00 0.00 WAT +ATOM 44566 H2 TIP3 12752 -11.576 -19.430 15.309 1.00 0.00 WAT +ATOM 44567 OH2 TIP3 12753 -14.280 -13.232 28.291 1.00 0.00 WAT +ATOM 44568 H1 TIP3 12753 -14.585 -13.549 29.151 1.00 0.00 WAT +ATOM 44569 H2 TIP3 12753 -14.580 -12.311 28.281 1.00 0.00 WAT +ATOM 44570 OH2 TIP3 12754 -11.145 -18.176 16.766 1.00 0.00 WAT +ATOM 44571 H1 TIP3 12754 -10.342 -18.551 17.172 1.00 0.00 WAT +ATOM 44572 H2 TIP3 12754 -10.756 -17.464 16.244 1.00 0.00 WAT +ATOM 44573 OH2 TIP3 12755 -20.784 -13.849 22.782 1.00 0.00 WAT +ATOM 44574 H1 TIP3 12755 -20.234 -13.949 21.984 1.00 0.00 WAT +ATOM 44575 H2 TIP3 12755 -20.670 -14.714 23.206 1.00 0.00 WAT +ATOM 44576 OH2 TIP3 12756 -23.559 -15.549 28.071 1.00 0.00 WAT +ATOM 44577 H1 TIP3 12756 -23.350 -16.014 28.907 1.00 0.00 WAT +ATOM 44578 H2 TIP3 12756 -24.108 -16.195 27.599 1.00 0.00 WAT +ATOM 44579 OH2 TIP3 12757 -16.548 -16.054 30.020 1.00 0.00 WAT +ATOM 44580 H1 TIP3 12757 -16.869 -16.308 29.138 1.00 0.00 WAT +ATOM 44581 H2 TIP3 12757 -15.621 -16.355 29.962 1.00 0.00 WAT +ATOM 44582 OH2 TIP3 12758 -12.014 -10.644 27.751 1.00 0.00 WAT +ATOM 44583 H1 TIP3 12758 -12.980 -10.567 27.677 1.00 0.00 WAT +ATOM 44584 H2 TIP3 12758 -11.863 -10.393 28.675 1.00 0.00 WAT +ATOM 44585 OH2 TIP3 12759 -6.520 -18.427 16.363 1.00 0.00 WAT +ATOM 44586 H1 TIP3 12759 -7.091 -18.626 15.600 1.00 0.00 WAT +ATOM 44587 H2 TIP3 12759 -6.466 -17.445 16.288 1.00 0.00 WAT +ATOM 44588 OH2 TIP3 12760 -6.027 -12.515 29.337 1.00 0.00 WAT +ATOM 44589 H1 TIP3 12760 -6.963 -12.332 29.107 1.00 0.00 WAT +ATOM 44590 H2 TIP3 12760 -5.675 -12.759 28.456 1.00 0.00 WAT +ATOM 44591 OH2 TIP3 12761 -11.000 -14.658 24.033 1.00 0.00 WAT +ATOM 44592 H1 TIP3 12761 -11.914 -14.794 23.734 1.00 0.00 WAT +ATOM 44593 H2 TIP3 12761 -10.559 -15.390 23.540 1.00 0.00 WAT +ATOM 44594 OH2 TIP3 12762 -18.430 -10.452 20.107 1.00 0.00 WAT +ATOM 44595 H1 TIP3 12762 -17.938 -9.657 19.825 1.00 0.00 WAT +ATOM 44596 H2 TIP3 12762 -19.273 -10.295 19.672 1.00 0.00 WAT +ATOM 44597 OH2 TIP3 12763 -22.465 -15.751 14.582 1.00 0.00 WAT +ATOM 44598 H1 TIP3 12763 -21.881 -15.120 15.043 1.00 0.00 WAT +ATOM 44599 H2 TIP3 12763 -23.342 -15.465 14.885 1.00 0.00 WAT +ATOM 44600 OH2 TIP3 12764 -16.607 -12.977 19.891 1.00 0.00 WAT +ATOM 44601 H1 TIP3 12764 -16.815 -12.041 19.737 1.00 0.00 WAT +ATOM 44602 H2 TIP3 12764 -17.499 -13.344 20.002 1.00 0.00 WAT +ATOM 44603 OH2 TIP3 12765 -16.415 -8.610 26.041 1.00 0.00 WAT +ATOM 44604 H1 TIP3 12765 -15.850 -7.893 25.707 1.00 0.00 WAT +ATOM 44605 H2 TIP3 12765 -15.778 -9.124 26.562 1.00 0.00 WAT +ATOM 44606 OH2 TIP3 12766 -17.910 -7.770 19.225 1.00 0.00 WAT +ATOM 44607 H1 TIP3 12766 -18.798 -7.640 18.864 1.00 0.00 WAT +ATOM 44608 H2 TIP3 12766 -17.579 -6.863 19.222 1.00 0.00 WAT +ATOM 44609 OH2 TIP3 12767 -12.988 -12.896 25.580 1.00 0.00 WAT +ATOM 44610 H1 TIP3 12767 -13.260 -13.180 26.470 1.00 0.00 WAT +ATOM 44611 H2 TIP3 12767 -12.236 -13.485 25.399 1.00 0.00 WAT +ATOM 44612 OH2 TIP3 12768 -10.075 -8.279 28.019 1.00 0.00 WAT +ATOM 44613 H1 TIP3 12768 -10.807 -8.757 27.583 1.00 0.00 WAT +ATOM 44614 H2 TIP3 12768 -9.947 -7.516 27.424 1.00 0.00 WAT +ATOM 44615 OH2 TIP3 12769 -22.209 -20.914 27.666 1.00 0.00 WAT +ATOM 44616 H1 TIP3 12769 -23.118 -20.674 27.401 1.00 0.00 WAT +ATOM 44617 H2 TIP3 12769 -22.347 -21.788 28.071 1.00 0.00 WAT +ATOM 44618 OH2 TIP3 12770 -22.481 -9.171 26.082 1.00 0.00 WAT +ATOM 44619 H1 TIP3 12770 -22.127 -10.065 26.191 1.00 0.00 WAT +ATOM 44620 H2 TIP3 12770 -22.205 -8.775 26.919 1.00 0.00 WAT +ATOM 44621 OH2 TIP3 12771 -21.196 -13.805 16.297 1.00 0.00 WAT +ATOM 44622 H1 TIP3 12771 -21.810 -13.231 16.794 1.00 0.00 WAT +ATOM 44623 H2 TIP3 12771 -20.543 -13.181 15.949 1.00 0.00 WAT +ATOM 44624 OH2 TIP3 12772 -13.261 -21.077 26.222 1.00 0.00 WAT +ATOM 44625 H1 TIP3 12772 -12.612 -20.814 26.891 1.00 0.00 WAT +ATOM 44626 H2 TIP3 12772 -13.725 -21.827 26.643 1.00 0.00 WAT +ATOM 44627 OH2 TIP3 12773 -12.596 -21.640 17.379 1.00 0.00 WAT +ATOM 44628 H1 TIP3 12773 -12.390 -21.137 16.559 1.00 0.00 WAT +ATOM 44629 H2 TIP3 12773 -12.121 -21.115 18.044 1.00 0.00 WAT +ATOM 44630 OH2 TIP3 12774 -14.749 -9.728 16.674 1.00 0.00 WAT +ATOM 44631 H1 TIP3 12774 -15.638 -9.399 16.506 1.00 0.00 WAT +ATOM 44632 H2 TIP3 12774 -14.232 -9.213 16.035 1.00 0.00 WAT +ATOM 44633 OH2 TIP3 12775 -15.138 -19.636 18.415 1.00 0.00 WAT +ATOM 44634 H1 TIP3 12775 -14.428 -18.978 18.518 1.00 0.00 WAT +ATOM 44635 H2 TIP3 12775 -15.419 -19.785 19.336 1.00 0.00 WAT +ATOM 44636 OH2 TIP3 12776 -14.849 -18.746 27.588 1.00 0.00 WAT +ATOM 44637 H1 TIP3 12776 -14.761 -18.222 28.400 1.00 0.00 WAT +ATOM 44638 H2 TIP3 12776 -14.285 -19.507 27.780 1.00 0.00 WAT +ATOM 44639 OH2 TIP3 12777 -14.597 -22.653 19.317 1.00 0.00 WAT +ATOM 44640 H1 TIP3 12777 -14.793 -21.980 19.998 1.00 0.00 WAT +ATOM 44641 H2 TIP3 12777 -13.858 -22.217 18.845 1.00 0.00 WAT +ATOM 44642 OH2 TIP3 12778 -18.834 -21.626 15.879 1.00 0.00 WAT +ATOM 44643 H1 TIP3 12778 -18.932 -20.822 16.413 1.00 0.00 WAT +ATOM 44644 H2 TIP3 12778 -17.976 -21.965 16.195 1.00 0.00 WAT +ATOM 44645 OH2 TIP3 12779 -8.556 -20.727 28.471 1.00 0.00 WAT +ATOM 44646 H1 TIP3 12779 -9.508 -20.598 28.290 1.00 0.00 WAT +ATOM 44647 H2 TIP3 12779 -8.267 -20.932 27.567 1.00 0.00 WAT +ATOM 44648 OH2 TIP3 12780 -10.170 -16.877 22.640 1.00 0.00 WAT +ATOM 44649 H1 TIP3 12780 -10.782 -17.375 22.078 1.00 0.00 WAT +ATOM 44650 H2 TIP3 12780 -9.485 -17.551 22.828 1.00 0.00 WAT +ATOM 44651 OH2 TIP3 12781 -22.305 -18.596 14.083 1.00 0.00 WAT +ATOM 44652 H1 TIP3 12781 -22.206 -17.630 14.190 1.00 0.00 WAT +ATOM 44653 H2 TIP3 12781 -22.983 -18.647 13.383 1.00 0.00 WAT +ATOM 44654 OH2 TIP3 12782 -9.093 -7.681 24.002 1.00 0.00 WAT +ATOM 44655 H1 TIP3 12782 -9.147 -7.188 23.173 1.00 0.00 WAT +ATOM 44656 H2 TIP3 12782 -8.134 -7.810 24.077 1.00 0.00 WAT +ATOM 44657 OH2 TIP3 12783 -21.417 -23.517 22.861 1.00 0.00 WAT +ATOM 44658 H1 TIP3 12783 -21.580 -23.543 21.895 1.00 0.00 WAT +ATOM 44659 H2 TIP3 12783 -21.749 -24.386 23.154 1.00 0.00 WAT +ATOM 44660 OH2 TIP3 12784 -22.688 -9.793 18.765 1.00 0.00 WAT +ATOM 44661 H1 TIP3 12784 -23.340 -9.143 19.053 1.00 0.00 WAT +ATOM 44662 H2 TIP3 12784 -22.024 -9.259 18.311 1.00 0.00 WAT +ATOM 44663 OH2 TIP3 12785 -23.113 -7.119 30.280 1.00 0.00 WAT +ATOM 44664 H1 TIP3 12785 -22.526 -7.403 31.008 1.00 0.00 WAT +ATOM 44665 H2 TIP3 12785 -23.495 -7.974 29.998 1.00 0.00 WAT +ATOM 44666 OH2 TIP3 12786 -18.417 -8.056 32.067 1.00 0.00 WAT +ATOM 44667 H1 TIP3 12786 -17.730 -8.706 32.279 1.00 0.00 WAT +ATOM 44668 H2 TIP3 12786 -18.648 -8.322 31.161 1.00 0.00 WAT +ATOM 44669 OH2 TIP3 12787 -11.984 -9.771 30.665 1.00 0.00 WAT +ATOM 44670 H1 TIP3 12787 -12.366 -10.606 30.993 1.00 0.00 WAT +ATOM 44671 H2 TIP3 12787 -11.270 -9.600 31.297 1.00 0.00 WAT +ATOM 44672 OH2 TIP3 12788 -23.162 -13.488 31.403 1.00 0.00 WAT +ATOM 44673 H1 TIP3 12788 -23.062 -14.401 31.087 1.00 0.00 WAT +ATOM 44674 H2 TIP3 12788 -23.927 -13.192 30.874 1.00 0.00 WAT +ATOM 44675 OH2 TIP3 12789 -16.534 -13.301 30.749 1.00 0.00 WAT +ATOM 44676 H1 TIP3 12789 -16.827 -12.975 29.881 1.00 0.00 WAT +ATOM 44677 H2 TIP3 12789 -16.453 -14.266 30.597 1.00 0.00 WAT +ATOM 44678 OH2 TIP3 12790 -11.163 -13.683 28.152 1.00 0.00 WAT +ATOM 44679 H1 TIP3 12790 -10.374 -13.179 27.901 1.00 0.00 WAT +ATOM 44680 H2 TIP3 12790 -11.847 -12.996 28.106 1.00 0.00 WAT +ATOM 44681 OH2 TIP3 12791 -22.301 -16.355 30.572 1.00 0.00 WAT +ATOM 44682 H1 TIP3 12791 -21.563 -16.991 30.562 1.00 0.00 WAT +ATOM 44683 H2 TIP3 12791 -22.336 -16.148 31.521 1.00 0.00 WAT +ATOM 44684 OH2 TIP3 12792 -17.980 -14.944 15.746 1.00 0.00 WAT +ATOM 44685 H1 TIP3 12792 -18.362 -15.650 16.268 1.00 0.00 WAT +ATOM 44686 H2 TIP3 12792 -17.541 -15.426 15.025 1.00 0.00 WAT +ATOM 44687 OH2 TIP3 12793 -18.678 -17.237 27.972 1.00 0.00 WAT +ATOM 44688 H1 TIP3 12793 -19.161 -16.425 28.209 1.00 0.00 WAT +ATOM 44689 H2 TIP3 12793 -17.981 -16.885 27.388 1.00 0.00 WAT +ATOM 44690 OH2 TIP3 12794 -16.608 -16.888 13.989 1.00 0.00 WAT +ATOM 44691 H1 TIP3 12794 -16.603 -16.783 13.027 1.00 0.00 WAT +ATOM 44692 H2 TIP3 12794 -15.656 -16.787 14.179 1.00 0.00 WAT +ATOM 44693 OH2 TIP3 12795 -13.316 -14.511 31.592 1.00 0.00 WAT +ATOM 44694 H1 TIP3 12795 -12.440 -14.723 31.234 1.00 0.00 WAT +ATOM 44695 H2 TIP3 12795 -13.593 -15.370 31.941 1.00 0.00 WAT +ATOM 44696 OH2 TIP3 12796 -18.055 -19.928 29.150 1.00 0.00 WAT +ATOM 44697 H1 TIP3 12796 -17.971 -20.595 28.444 1.00 0.00 WAT +ATOM 44698 H2 TIP3 12796 -18.244 -19.125 28.634 1.00 0.00 WAT +ATOM 44699 OH2 TIP3 12797 -17.718 -21.463 26.608 1.00 0.00 WAT +ATOM 44700 H1 TIP3 12797 -17.187 -20.947 25.969 1.00 0.00 WAT +ATOM 44701 H2 TIP3 12797 -18.620 -21.430 26.229 1.00 0.00 WAT +ATOM 44702 OH2 TIP3 12798 -16.176 -16.021 27.011 1.00 0.00 WAT +ATOM 44703 H1 TIP3 12798 -15.337 -16.123 26.536 1.00 0.00 WAT +ATOM 44704 H2 TIP3 12798 -16.468 -15.144 26.691 1.00 0.00 WAT +ATOM 44705 OH2 TIP3 12799 -11.578 -18.080 31.809 1.00 0.00 WAT +ATOM 44706 H1 TIP3 12799 -11.363 -19.021 31.900 1.00 0.00 WAT +ATOM 44707 H2 TIP3 12799 -10.693 -17.697 31.702 1.00 0.00 WAT +ATOM 44708 OH2 TIP3 12800 -10.633 -15.283 30.298 1.00 0.00 WAT +ATOM 44709 H1 TIP3 12800 -10.962 -14.684 29.594 1.00 0.00 WAT +ATOM 44710 H2 TIP3 12800 -9.735 -15.457 29.948 1.00 0.00 WAT +ATOM 44711 OH2 TIP3 12801 -19.850 -18.080 30.929 1.00 0.00 WAT +ATOM 44712 H1 TIP3 12801 -20.372 -18.902 30.947 1.00 0.00 WAT +ATOM 44713 H2 TIP3 12801 -19.032 -18.381 30.503 1.00 0.00 WAT +ATOM 44714 OH2 TIP3 12802 -16.997 -24.137 26.958 1.00 0.00 WAT +ATOM 44715 H1 TIP3 12802 -17.162 -23.184 26.791 1.00 0.00 WAT +ATOM 44716 H2 TIP3 12802 -17.694 -24.549 26.414 1.00 0.00 WAT +ATOM 44717 OH2 TIP3 12803 -15.736 -19.553 30.752 1.00 0.00 WAT +ATOM 44718 H1 TIP3 12803 -16.086 -19.793 31.628 1.00 0.00 WAT +ATOM 44719 H2 TIP3 12803 -16.521 -19.760 30.203 1.00 0.00 WAT +ATOM 44720 OH2 TIP3 12804 -13.187 -20.506 29.623 1.00 0.00 WAT +ATOM 44721 H1 TIP3 12804 -14.075 -20.482 30.022 1.00 0.00 WAT +ATOM 44722 H2 TIP3 12804 -12.726 -21.152 30.193 1.00 0.00 WAT +ATOM 44723 OH2 TIP3 12805 -11.349 -22.031 31.339 1.00 0.00 WAT +ATOM 44724 H1 TIP3 12805 -11.497 -22.986 31.493 1.00 0.00 WAT +ATOM 44725 H2 TIP3 12805 -11.524 -21.633 32.211 1.00 0.00 WAT +ATOM 44726 OH2 TIP3 12806 -21.185 -20.624 30.783 1.00 0.00 WAT +ATOM 44727 H1 TIP3 12806 -21.244 -21.334 30.123 1.00 0.00 WAT +ATOM 44728 H2 TIP3 12806 -21.384 -21.107 31.608 1.00 0.00 WAT +ATOM 44729 OH2 TIP3 12807 -17.152 -24.642 29.768 1.00 0.00 WAT +ATOM 44730 H1 TIP3 12807 -16.566 -25.414 29.825 1.00 0.00 WAT +ATOM 44731 H2 TIP3 12807 -17.173 -24.496 28.801 1.00 0.00 WAT +ATOM 44732 OH2 TIP3 12808 -16.204 -22.776 31.615 1.00 0.00 WAT +ATOM 44733 H1 TIP3 12808 -16.504 -23.375 30.900 1.00 0.00 WAT +ATOM 44734 H2 TIP3 12808 -16.910 -22.115 31.646 1.00 0.00 WAT +ATOM 44735 OH2 TIP3 12809 -24.428 -6.110 19.414 1.00 0.00 WAT +ATOM 44736 H1 TIP3 12809 -25.120 -6.537 18.885 1.00 0.00 WAT +ATOM 44737 H2 TIP3 12809 -24.179 -6.808 20.039 1.00 0.00 WAT +ATOM 44738 OH2 TIP3 12810 -23.936 -8.189 21.348 1.00 0.00 WAT +ATOM 44739 H1 TIP3 12810 -24.036 -9.078 21.722 1.00 0.00 WAT +ATOM 44740 H2 TIP3 12810 -23.488 -7.752 22.091 1.00 0.00 WAT +ATOM 44741 OH2 TIP3 12811 -6.292 -6.717 24.422 1.00 0.00 WAT +ATOM 44742 H1 TIP3 12811 -6.027 -6.968 25.315 1.00 0.00 WAT +ATOM 44743 H2 TIP3 12811 -5.439 -6.636 23.968 1.00 0.00 WAT +ATOM 44744 OH2 TIP3 12812 -6.397 -7.410 27.309 1.00 0.00 WAT +ATOM 44745 H1 TIP3 12812 -6.915 -8.122 26.886 1.00 0.00 WAT +ATOM 44746 H2 TIP3 12812 -5.823 -7.942 27.882 1.00 0.00 WAT +ATOM 44747 OH2 TIP3 12813 -8.386 -11.964 31.547 1.00 0.00 WAT +ATOM 44748 H1 TIP3 12813 -9.268 -11.930 31.951 1.00 0.00 WAT +ATOM 44749 H2 TIP3 12813 -7.953 -11.155 31.858 1.00 0.00 WAT +ATOM 44750 OH2 TIP3 12814 -6.808 -12.607 24.227 1.00 0.00 WAT +ATOM 44751 H1 TIP3 12814 -6.232 -13.147 23.657 1.00 0.00 WAT +ATOM 44752 H2 TIP3 12814 -6.660 -11.718 23.863 1.00 0.00 WAT +ATOM 44753 OH2 TIP3 12815 -8.096 -9.675 26.466 1.00 0.00 WAT +ATOM 44754 H1 TIP3 12815 -8.861 -9.331 26.952 1.00 0.00 WAT +ATOM 44755 H2 TIP3 12815 -8.530 -10.071 25.678 1.00 0.00 WAT +ATOM 44756 OH2 TIP3 12816 -8.205 -17.116 20.347 1.00 0.00 WAT +ATOM 44757 H1 TIP3 12816 -8.560 -17.556 19.570 1.00 0.00 WAT +ATOM 44758 H2 TIP3 12816 -8.892 -16.487 20.582 1.00 0.00 WAT +ATOM 44759 OH2 TIP3 12817 -23.782 -14.733 23.785 1.00 0.00 WAT +ATOM 44760 H1 TIP3 12817 -23.536 -14.735 22.842 1.00 0.00 WAT +ATOM 44761 H2 TIP3 12817 -22.919 -14.985 24.179 1.00 0.00 WAT +ATOM 44762 OH2 TIP3 12818 -8.008 -15.050 29.261 1.00 0.00 WAT +ATOM 44763 H1 TIP3 12818 -7.274 -15.687 29.323 1.00 0.00 WAT +ATOM 44764 H2 TIP3 12818 -7.547 -14.246 28.986 1.00 0.00 WAT +ATOM 44765 OH2 TIP3 12819 -6.473 -16.984 30.520 1.00 0.00 WAT +ATOM 44766 H1 TIP3 12819 -7.246 -17.501 30.211 1.00 0.00 WAT +ATOM 44767 H2 TIP3 12819 -5.752 -17.634 30.419 1.00 0.00 WAT +ATOM 44768 OH2 TIP3 12820 -8.540 -20.579 13.441 1.00 0.00 WAT +ATOM 44769 H1 TIP3 12820 -7.970 -21.194 13.916 1.00 0.00 WAT +ATOM 44770 H2 TIP3 12820 -9.325 -21.082 13.190 1.00 0.00 WAT +ATOM 44771 OH2 TIP3 12821 -8.877 -19.359 18.220 1.00 0.00 WAT +ATOM 44772 H1 TIP3 12821 -8.531 -20.272 18.284 1.00 0.00 WAT +ATOM 44773 H2 TIP3 12821 -8.120 -18.918 17.797 1.00 0.00 WAT +ATOM 44774 OH2 TIP3 12822 -8.509 -18.957 23.693 1.00 0.00 WAT +ATOM 44775 H1 TIP3 12822 -7.553 -18.791 23.560 1.00 0.00 WAT +ATOM 44776 H2 TIP3 12822 -8.577 -18.849 24.654 1.00 0.00 WAT +ATOM 44777 OH2 TIP3 12823 -8.338 -18.178 26.553 1.00 0.00 WAT +ATOM 44778 H1 TIP3 12823 -9.199 -17.767 26.750 1.00 0.00 WAT +ATOM 44779 H2 TIP3 12823 -7.802 -17.409 26.278 1.00 0.00 WAT +ATOM 44780 OH2 TIP3 12824 -23.850 -19.431 30.171 1.00 0.00 WAT +ATOM 44781 H1 TIP3 12824 -22.911 -19.687 30.210 1.00 0.00 WAT +ATOM 44782 H2 TIP3 12824 -24.285 -20.301 30.236 1.00 0.00 WAT +ATOM 44783 OH2 TIP3 12825 -5.780 -24.048 31.795 1.00 0.00 WAT +ATOM 44784 H1 TIP3 12825 -5.369 -24.731 31.232 1.00 0.00 WAT +ATOM 44785 H2 TIP3 12825 -5.756 -23.268 31.208 1.00 0.00 WAT +ATOM 44786 OH2 TIP3 12826 -8.277 -22.205 18.226 1.00 0.00 WAT +ATOM 44787 H1 TIP3 12826 -8.105 -22.544 19.123 1.00 0.00 WAT +ATOM 44788 H2 TIP3 12826 -9.055 -22.725 17.953 1.00 0.00 WAT +ATOM 44789 OH2 TIP3 12827 -23.089 -21.099 23.010 1.00 0.00 WAT +ATOM 44790 H1 TIP3 12827 -22.621 -21.952 23.040 1.00 0.00 WAT +ATOM 44791 H2 TIP3 12827 -22.385 -20.497 23.319 1.00 0.00 WAT +ATOM 44792 OH2 TIP3 12828 -24.549 -18.407 24.014 1.00 0.00 WAT +ATOM 44793 H1 TIP3 12828 -23.964 -18.496 23.244 1.00 0.00 WAT +ATOM 44794 H2 TIP3 12828 -24.139 -17.659 24.465 1.00 0.00 WAT +ATOM 44795 OH2 TIP3 12829 -6.423 -21.993 30.056 1.00 0.00 WAT +ATOM 44796 H1 TIP3 12829 -7.301 -21.572 30.050 1.00 0.00 WAT +ATOM 44797 H2 TIP3 12829 -6.493 -22.537 29.250 1.00 0.00 WAT +ATOM 44798 OH2 TIP3 12830 -6.316 -21.900 14.926 1.00 0.00 WAT +ATOM 44799 H1 TIP3 12830 -5.923 -22.603 14.382 1.00 0.00 WAT +ATOM 44800 H2 TIP3 12830 -5.572 -21.281 15.029 1.00 0.00 WAT +ATOM 44801 OH2 TIP3 12831 -24.042 -22.048 18.093 1.00 0.00 WAT +ATOM 44802 H1 TIP3 12831 -24.981 -22.034 17.844 1.00 0.00 WAT +ATOM 44803 H2 TIP3 12831 -23.626 -21.478 17.414 1.00 0.00 WAT +ATOM 44804 OH2 TIP3 12832 -23.994 -23.181 26.236 1.00 0.00 WAT +ATOM 44805 H1 TIP3 12832 -24.706 -23.482 26.814 1.00 0.00 WAT +ATOM 44806 H2 TIP3 12832 -24.492 -22.684 25.562 1.00 0.00 WAT +ATOM 44807 OH2 TIP3 12833 -22.007 -10.082 30.907 1.00 0.00 WAT +ATOM 44808 H1 TIP3 12833 -22.721 -10.142 30.257 1.00 0.00 WAT +ATOM 44809 H2 TIP3 12833 -22.478 -10.158 31.747 1.00 0.00 WAT +ATOM 44810 OH2 TIP3 12834 -19.183 -9.111 26.585 1.00 0.00 WAT +ATOM 44811 H1 TIP3 12834 -19.466 -8.260 26.205 1.00 0.00 WAT +ATOM 44812 H2 TIP3 12834 -18.222 -9.049 26.403 1.00 0.00 WAT +ATOM 44813 OH2 TIP3 12835 -14.677 -7.807 29.592 1.00 0.00 WAT +ATOM 44814 H1 TIP3 12835 -14.503 -7.993 30.527 1.00 0.00 WAT +ATOM 44815 H2 TIP3 12835 -13.847 -7.367 29.318 1.00 0.00 WAT +ATOM 44816 OH2 TIP3 12836 -12.398 -6.317 28.807 1.00 0.00 WAT +ATOM 44817 H1 TIP3 12836 -11.723 -6.956 28.527 1.00 0.00 WAT +ATOM 44818 H2 TIP3 12836 -12.074 -6.064 29.692 1.00 0.00 WAT +ATOM 44819 OH2 TIP3 12837 -7.568 -23.776 28.042 1.00 0.00 WAT +ATOM 44820 H1 TIP3 12837 -8.343 -23.565 27.495 1.00 0.00 WAT +ATOM 44821 H2 TIP3 12837 -7.322 -24.662 27.700 1.00 0.00 WAT +ATOM 44822 OH2 TIP3 12838 -21.793 -6.157 26.903 1.00 0.00 WAT +ATOM 44823 H1 TIP3 12838 -22.402 -5.545 26.454 1.00 0.00 WAT +ATOM 44824 H2 TIP3 12838 -22.152 -6.144 27.798 1.00 0.00 WAT +ATOM 44825 OH2 TIP3 12839 -19.302 -6.403 25.481 1.00 0.00 WAT +ATOM 44826 H1 TIP3 12839 -20.160 -6.196 25.898 1.00 0.00 WAT +ATOM 44827 H2 TIP3 12839 -19.254 -5.751 24.757 1.00 0.00 WAT +ATOM 44828 OH2 TIP3 12840 -14.535 -6.403 24.994 1.00 0.00 WAT +ATOM 44829 H1 TIP3 12840 -14.898 -5.970 24.194 1.00 0.00 WAT +ATOM 44830 H2 TIP3 12840 -14.453 -5.646 25.595 1.00 0.00 WAT +ATOM 44831 OH2 TIP3 12841 -12.228 -7.690 25.980 1.00 0.00 WAT +ATOM 44832 H1 TIP3 12841 -13.064 -7.365 25.597 1.00 0.00 WAT +ATOM 44833 H2 TIP3 12841 -11.648 -6.927 25.855 1.00 0.00 WAT +ATOM 44834 OH2 TIP3 12842 -9.664 -5.989 26.183 1.00 0.00 WAT +ATOM 44835 H1 TIP3 12842 -9.785 -5.088 25.841 1.00 0.00 WAT +ATOM 44836 H2 TIP3 12842 -9.416 -6.481 25.367 1.00 0.00 WAT +ATOM 44837 OH2 TIP3 12843 -22.328 -7.392 23.843 1.00 0.00 WAT +ATOM 44838 H1 TIP3 12843 -22.295 -7.839 24.715 1.00 0.00 WAT +ATOM 44839 H2 TIP3 12843 -21.528 -7.775 23.421 1.00 0.00 WAT +ATOM 44840 OH2 TIP3 12844 -20.256 -8.577 22.404 1.00 0.00 WAT +ATOM 44841 H1 TIP3 12844 -20.319 -9.537 22.574 1.00 0.00 WAT +ATOM 44842 H2 TIP3 12844 -19.310 -8.409 22.585 1.00 0.00 WAT +ATOM 44843 OH2 TIP3 12845 -17.446 -8.052 23.150 1.00 0.00 WAT +ATOM 44844 H1 TIP3 12845 -17.183 -8.939 22.857 1.00 0.00 WAT +ATOM 44845 H2 TIP3 12845 -17.369 -8.139 24.111 1.00 0.00 WAT +ATOM 44846 OH2 TIP3 12846 -14.121 -22.264 22.467 1.00 0.00 WAT +ATOM 44847 H1 TIP3 12846 -14.798 -22.954 22.599 1.00 0.00 WAT +ATOM 44848 H2 TIP3 12846 -13.473 -22.720 21.903 1.00 0.00 WAT +ATOM 44849 OH2 TIP3 12847 -9.135 -24.239 22.942 1.00 0.00 WAT +ATOM 44850 H1 TIP3 12847 -8.371 -23.793 22.535 1.00 0.00 WAT +ATOM 44851 H2 TIP3 12847 -9.869 -23.920 22.396 1.00 0.00 WAT +ATOM 44852 OH2 TIP3 12848 -7.104 -23.155 20.745 1.00 0.00 WAT +ATOM 44853 H1 TIP3 12848 -6.336 -23.525 20.275 1.00 0.00 WAT +ATOM 44854 H2 TIP3 12848 -6.745 -22.269 20.974 1.00 0.00 WAT +ATOM 44855 OH2 TIP3 12849 -21.761 -23.576 20.065 1.00 0.00 WAT +ATOM 44856 H1 TIP3 12849 -22.611 -23.678 19.593 1.00 0.00 WAT +ATOM 44857 H2 TIP3 12849 -21.334 -24.431 19.876 1.00 0.00 WAT +ATOM 44858 OH2 TIP3 12850 -22.910 -24.102 15.937 1.00 0.00 WAT +ATOM 44859 H1 TIP3 12850 -22.403 -23.457 15.392 1.00 0.00 WAT +ATOM 44860 H2 TIP3 12850 -23.360 -23.511 16.559 1.00 0.00 WAT +ATOM 44861 OH2 TIP3 12851 -17.278 -23.789 19.877 1.00 0.00 WAT +ATOM 44862 H1 TIP3 12851 -16.387 -23.415 19.776 1.00 0.00 WAT +ATOM 44863 H2 TIP3 12851 -17.339 -23.870 20.836 1.00 0.00 WAT +ATOM 44864 OH2 TIP3 12852 -11.771 -23.674 21.303 1.00 0.00 WAT +ATOM 44865 H1 TIP3 12852 -11.389 -23.806 20.424 1.00 0.00 WAT +ATOM 44866 H2 TIP3 12852 -12.053 -24.573 21.543 1.00 0.00 WAT +ATOM 44867 OH2 TIP3 12853 -10.594 -23.727 17.326 1.00 0.00 WAT +ATOM 44868 H1 TIP3 12853 -11.367 -23.177 17.099 1.00 0.00 WAT +ATOM 44869 H2 TIP3 12853 -10.989 -24.605 17.445 1.00 0.00 WAT +ATOM 44870 OH2 TIP3 12854 -21.306 -22.385 14.478 1.00 0.00 WAT +ATOM 44871 H1 TIP3 12854 -20.749 -22.628 13.716 1.00 0.00 WAT +ATOM 44872 H2 TIP3 12854 -20.663 -21.895 15.017 1.00 0.00 WAT +ATOM 44873 OH2 TIP3 12855 -16.188 -22.237 16.924 1.00 0.00 WAT +ATOM 44874 H1 TIP3 12855 -15.783 -22.686 17.686 1.00 0.00 WAT +ATOM 44875 H2 TIP3 12855 -15.953 -21.322 17.147 1.00 0.00 WAT +ATOM 44876 OH2 TIP3 12856 -14.181 -7.229 15.375 1.00 0.00 WAT +ATOM 44877 H1 TIP3 12856 -13.784 -6.356 15.415 1.00 0.00 WAT +ATOM 44878 H2 TIP3 12856 -14.652 -7.218 14.540 1.00 0.00 WAT +ATOM 44879 OH2 TIP3 12857 -21.965 -23.325 29.567 1.00 0.00 WAT +ATOM 44880 H1 TIP3 12857 -22.359 -24.142 29.922 1.00 0.00 WAT +ATOM 44881 H2 TIP3 12857 -21.038 -23.446 29.830 1.00 0.00 WAT +ATOM 44882 OH2 TIP3 12858 -19.584 -23.933 31.294 1.00 0.00 WAT +ATOM 44883 H1 TIP3 12858 -18.762 -24.283 30.894 1.00 0.00 WAT +ATOM 44884 H2 TIP3 12858 -19.917 -24.729 31.742 1.00 0.00 WAT +ATOM 44885 OH2 TIP3 12859 -11.453 -24.832 31.466 1.00 0.00 WAT +ATOM 44886 H1 TIP3 12859 -11.418 -25.241 32.352 1.00 0.00 WAT +ATOM 44887 H2 TIP3 12859 -10.514 -24.861 31.203 1.00 0.00 WAT +ATOM 44888 OH2 TIP3 12860 -8.152 -8.494 30.220 1.00 0.00 WAT +ATOM 44889 H1 TIP3 12860 -8.819 -8.691 29.535 1.00 0.00 WAT +ATOM 44890 H2 TIP3 12860 -8.292 -7.537 30.335 1.00 0.00 WAT +ATOM 44891 OH2 TIP3 12861 6.152 -14.794 20.252 1.00 0.00 WAT +ATOM 44892 H1 TIP3 12861 6.138 -13.831 20.377 1.00 0.00 WAT +ATOM 44893 H2 TIP3 12861 5.441 -14.910 19.612 1.00 0.00 WAT +ATOM 44894 OH2 TIP3 12862 5.000 -15.376 23.355 1.00 0.00 WAT +ATOM 44895 H1 TIP3 12862 4.939 -15.931 24.148 1.00 0.00 WAT +ATOM 44896 H2 TIP3 12862 4.679 -15.977 22.667 1.00 0.00 WAT +ATOM 44897 OH2 TIP3 12863 -2.640 -15.697 25.119 1.00 0.00 WAT +ATOM 44898 H1 TIP3 12863 -2.591 -16.523 25.633 1.00 0.00 WAT +ATOM 44899 H2 TIP3 12863 -1.802 -15.274 25.351 1.00 0.00 WAT +ATOM 44900 OH2 TIP3 12864 8.652 -12.670 21.662 1.00 0.00 WAT +ATOM 44901 H1 TIP3 12864 8.257 -13.334 22.242 1.00 0.00 WAT +ATOM 44902 H2 TIP3 12864 8.888 -11.980 22.294 1.00 0.00 WAT +ATOM 44903 OH2 TIP3 12865 -1.922 -11.238 23.603 1.00 0.00 WAT +ATOM 44904 H1 TIP3 12865 -2.144 -12.148 23.307 1.00 0.00 WAT +ATOM 44905 H2 TIP3 12865 -0.962 -11.333 23.693 1.00 0.00 WAT +ATOM 44906 OH2 TIP3 12866 -5.214 -17.550 18.914 1.00 0.00 WAT +ATOM 44907 H1 TIP3 12866 -5.762 -16.760 19.039 1.00 0.00 WAT +ATOM 44908 H2 TIP3 12866 -5.771 -18.038 18.294 1.00 0.00 WAT +ATOM 44909 OH2 TIP3 12867 -4.158 -15.141 20.979 1.00 0.00 WAT +ATOM 44910 H1 TIP3 12867 -4.404 -16.061 21.142 1.00 0.00 WAT +ATOM 44911 H2 TIP3 12867 -3.466 -15.241 20.325 1.00 0.00 WAT +ATOM 44912 OH2 TIP3 12868 5.830 -6.975 22.482 1.00 0.00 WAT +ATOM 44913 H1 TIP3 12868 6.153 -7.503 21.743 1.00 0.00 WAT +ATOM 44914 H2 TIP3 12868 5.508 -7.642 23.089 1.00 0.00 WAT +ATOM 44915 OH2 TIP3 12869 3.423 -12.850 23.976 1.00 0.00 WAT +ATOM 44916 H1 TIP3 12869 3.724 -13.524 23.344 1.00 0.00 WAT +ATOM 44917 H2 TIP3 12869 4.259 -12.698 24.454 1.00 0.00 WAT +ATOM 44918 OH2 TIP3 12870 12.137 -21.365 24.586 1.00 0.00 WAT +ATOM 44919 H1 TIP3 12870 12.357 -20.723 25.281 1.00 0.00 WAT +ATOM 44920 H2 TIP3 12870 12.718 -21.058 23.865 1.00 0.00 WAT +ATOM 44921 OH2 TIP3 12871 6.777 -18.525 24.460 1.00 0.00 WAT +ATOM 44922 H1 TIP3 12871 6.867 -19.491 24.502 1.00 0.00 WAT +ATOM 44923 H2 TIP3 12871 6.683 -18.384 23.504 1.00 0.00 WAT +ATOM 44924 OH2 TIP3 12872 7.576 -20.371 19.807 1.00 0.00 WAT +ATOM 44925 H1 TIP3 12872 8.151 -20.781 20.489 1.00 0.00 WAT +ATOM 44926 H2 TIP3 12872 8.233 -19.883 19.288 1.00 0.00 WAT +ATOM 44927 OH2 TIP3 12873 -3.201 -17.781 22.244 1.00 0.00 WAT +ATOM 44928 H1 TIP3 12873 -2.820 -18.552 22.708 1.00 0.00 WAT +ATOM 44929 H2 TIP3 12873 -3.306 -18.165 21.365 1.00 0.00 WAT +ATOM 44930 OH2 TIP3 12874 1.771 -16.372 21.476 1.00 0.00 WAT +ATOM 44931 H1 TIP3 12874 2.466 -16.930 21.875 1.00 0.00 WAT +ATOM 44932 H2 TIP3 12874 1.242 -17.039 20.994 1.00 0.00 WAT +ATOM 44933 OH2 TIP3 12875 12.863 -19.954 27.068 1.00 0.00 WAT +ATOM 44934 H1 TIP3 12875 12.265 -19.247 26.763 1.00 0.00 WAT +ATOM 44935 H2 TIP3 12875 12.609 -20.007 27.999 1.00 0.00 WAT +ATOM 44936 OH2 TIP3 12876 -1.386 -21.505 25.676 1.00 0.00 WAT +ATOM 44937 H1 TIP3 12876 -1.852 -21.269 24.837 1.00 0.00 WAT +ATOM 44938 H2 TIP3 12876 -2.109 -21.346 26.306 1.00 0.00 WAT +ATOM 44939 OH2 TIP3 12877 5.932 -11.928 19.066 1.00 0.00 WAT +ATOM 44940 H1 TIP3 12877 5.742 -12.143 18.135 1.00 0.00 WAT +ATOM 44941 H2 TIP3 12877 5.576 -11.037 19.146 1.00 0.00 WAT +ATOM 44942 OH2 TIP3 12878 1.490 -13.833 25.841 1.00 0.00 WAT +ATOM 44943 H1 TIP3 12878 0.737 -13.246 26.061 1.00 0.00 WAT +ATOM 44944 H2 TIP3 12878 2.081 -13.239 25.339 1.00 0.00 WAT +ATOM 44945 OH2 TIP3 12879 9.414 -21.118 21.875 1.00 0.00 WAT +ATOM 44946 H1 TIP3 12879 8.975 -21.681 22.526 1.00 0.00 WAT +ATOM 44947 H2 TIP3 12879 9.904 -20.499 22.444 1.00 0.00 WAT +ATOM 44948 OH2 TIP3 12880 -0.535 -11.958 26.577 1.00 0.00 WAT +ATOM 44949 H1 TIP3 12880 -0.606 -11.064 26.200 1.00 0.00 WAT +ATOM 44950 H2 TIP3 12880 -1.423 -12.057 26.961 1.00 0.00 WAT +ATOM 44951 OH2 TIP3 12881 9.215 -10.789 24.224 1.00 0.00 WAT +ATOM 44952 H1 TIP3 12881 8.244 -10.696 24.202 1.00 0.00 WAT +ATOM 44953 H2 TIP3 12881 9.479 -9.952 23.804 1.00 0.00 WAT +ATOM 44954 OH2 TIP3 12882 9.531 -21.942 25.722 1.00 0.00 WAT +ATOM 44955 H1 TIP3 12882 8.753 -21.560 25.273 1.00 0.00 WAT +ATOM 44956 H2 TIP3 12882 10.244 -21.765 25.080 1.00 0.00 WAT +ATOM 44957 OH2 TIP3 12883 2.575 -24.186 22.899 1.00 0.00 WAT +ATOM 44958 H1 TIP3 12883 2.385 -25.129 22.740 1.00 0.00 WAT +ATOM 44959 H2 TIP3 12883 1.686 -23.855 23.133 1.00 0.00 WAT +ATOM 44960 OH2 TIP3 12884 7.796 -8.894 20.815 1.00 0.00 WAT +ATOM 44961 H1 TIP3 12884 8.030 -9.611 20.206 1.00 0.00 WAT +ATOM 44962 H2 TIP3 12884 7.613 -8.156 20.226 1.00 0.00 WAT +ATOM 44963 OH2 TIP3 12885 9.000 -11.143 19.130 1.00 0.00 WAT +ATOM 44964 H1 TIP3 12885 8.311 -11.561 18.597 1.00 0.00 WAT +ATOM 44965 H2 TIP3 12885 8.926 -11.639 19.966 1.00 0.00 WAT +ATOM 44966 OH2 TIP3 12886 10.528 -12.192 27.861 1.00 0.00 WAT +ATOM 44967 H1 TIP3 12886 10.385 -12.833 27.141 1.00 0.00 WAT +ATOM 44968 H2 TIP3 12886 10.605 -11.352 27.367 1.00 0.00 WAT +ATOM 44969 OH2 TIP3 12887 5.027 -15.308 17.240 1.00 0.00 WAT +ATOM 44970 H1 TIP3 12887 4.316 -14.694 16.977 1.00 0.00 WAT +ATOM 44971 H2 TIP3 12887 5.700 -15.063 16.594 1.00 0.00 WAT +ATOM 44972 OH2 TIP3 12888 12.277 -16.001 25.783 1.00 0.00 WAT +ATOM 44973 H1 TIP3 12888 11.537 -15.367 25.872 1.00 0.00 WAT +ATOM 44974 H2 TIP3 12888 12.735 -15.639 25.000 1.00 0.00 WAT +ATOM 44975 OH2 TIP3 12889 8.194 -15.414 18.324 1.00 0.00 WAT +ATOM 44976 H1 TIP3 12889 7.571 -15.076 18.995 1.00 0.00 WAT +ATOM 44977 H2 TIP3 12889 8.891 -15.802 18.875 1.00 0.00 WAT +ATOM 44978 OH2 TIP3 12890 8.118 -16.751 27.476 1.00 0.00 WAT +ATOM 44979 H1 TIP3 12890 8.155 -15.920 27.980 1.00 0.00 WAT +ATOM 44980 H2 TIP3 12890 7.460 -16.484 26.807 1.00 0.00 WAT +ATOM 44981 OH2 TIP3 12891 -0.071 -14.528 20.167 1.00 0.00 WAT +ATOM 44982 H1 TIP3 12891 -0.353 -15.156 19.491 1.00 0.00 WAT +ATOM 44983 H2 TIP3 12891 0.492 -15.100 20.723 1.00 0.00 WAT +ATOM 44984 OH2 TIP3 12892 1.205 -11.170 22.974 1.00 0.00 WAT +ATOM 44985 H1 TIP3 12892 1.295 -11.621 22.114 1.00 0.00 WAT +ATOM 44986 H2 TIP3 12892 1.986 -11.534 23.427 1.00 0.00 WAT +ATOM 44987 OH2 TIP3 12893 0.434 -15.725 23.920 1.00 0.00 WAT +ATOM 44988 H1 TIP3 12893 1.012 -15.704 23.137 1.00 0.00 WAT +ATOM 44989 H2 TIP3 12893 0.859 -15.089 24.522 1.00 0.00 WAT +ATOM 44990 OH2 TIP3 12894 6.365 -10.197 24.499 1.00 0.00 WAT +ATOM 44991 H1 TIP3 12894 6.413 -9.527 25.199 1.00 0.00 WAT +ATOM 44992 H2 TIP3 12894 6.171 -11.021 24.978 1.00 0.00 WAT +ATOM 44993 OH2 TIP3 12895 1.294 -11.399 28.744 1.00 0.00 WAT +ATOM 44994 H1 TIP3 12895 0.771 -10.715 29.195 1.00 0.00 WAT +ATOM 44995 H2 TIP3 12895 0.679 -11.673 28.034 1.00 0.00 WAT +ATOM 44996 OH2 TIP3 12896 -1.715 -14.971 27.882 1.00 0.00 WAT +ATOM 44997 H1 TIP3 12896 -1.743 -14.426 28.686 1.00 0.00 WAT +ATOM 44998 H2 TIP3 12896 -2.655 -15.122 27.700 1.00 0.00 WAT +ATOM 44999 OH2 TIP3 12897 -0.619 -9.160 29.561 1.00 0.00 WAT +ATOM 45000 H1 TIP3 12897 -0.686 -9.142 28.589 1.00 0.00 WAT +ATOM 45001 H2 TIP3 12897 -1.488 -9.502 29.840 1.00 0.00 WAT +ATOM 45002 OH2 TIP3 12898 10.670 -24.113 15.614 1.00 0.00 WAT +ATOM 45003 H1 TIP3 12898 9.804 -23.987 16.046 1.00 0.00 WAT +ATOM 45004 H2 TIP3 12898 11.032 -23.211 15.615 1.00 0.00 WAT +ATOM 45005 OH2 TIP3 12899 -1.205 -15.553 17.341 1.00 0.00 WAT +ATOM 45006 H1 TIP3 12899 -1.590 -14.810 17.800 1.00 0.00 WAT +ATOM 45007 H2 TIP3 12899 -1.744 -16.307 17.620 1.00 0.00 WAT +ATOM 45008 OH2 TIP3 12900 -5.173 -13.093 26.677 1.00 0.00 WAT +ATOM 45009 H1 TIP3 12900 -5.568 -13.082 25.781 1.00 0.00 WAT +ATOM 45010 H2 TIP3 12900 -5.012 -14.047 26.803 1.00 0.00 WAT +ATOM 45011 OH2 TIP3 12901 -5.098 -10.085 23.574 1.00 0.00 WAT +ATOM 45012 H1 TIP3 12901 -4.193 -10.426 23.530 1.00 0.00 WAT +ATOM 45013 H2 TIP3 12901 -5.074 -9.549 24.374 1.00 0.00 WAT +ATOM 45014 OH2 TIP3 12902 13.288 -9.566 29.379 1.00 0.00 WAT +ATOM 45015 H1 TIP3 12902 13.172 -10.514 29.186 1.00 0.00 WAT +ATOM 45016 H2 TIP3 12902 12.377 -9.326 29.658 1.00 0.00 WAT +ATOM 45017 OH2 TIP3 12903 3.945 -10.355 28.187 1.00 0.00 WAT +ATOM 45018 H1 TIP3 12903 4.003 -9.513 28.680 1.00 0.00 WAT +ATOM 45019 H2 TIP3 12903 3.033 -10.642 28.389 1.00 0.00 WAT +ATOM 45020 OH2 TIP3 12904 10.087 -18.198 29.778 1.00 0.00 WAT +ATOM 45021 H1 TIP3 12904 9.545 -17.804 29.079 1.00 0.00 WAT +ATOM 45022 H2 TIP3 12904 10.115 -19.133 29.499 1.00 0.00 WAT +ATOM 45023 OH2 TIP3 12905 -3.029 -11.504 27.984 1.00 0.00 WAT +ATOM 45024 H1 TIP3 12905 -2.681 -12.053 28.715 1.00 0.00 WAT +ATOM 45025 H2 TIP3 12905 -3.693 -12.082 27.566 1.00 0.00 WAT +ATOM 45026 OH2 TIP3 12906 -0.162 -23.241 23.514 1.00 0.00 WAT +ATOM 45027 H1 TIP3 12906 -0.981 -23.159 22.994 1.00 0.00 WAT +ATOM 45028 H2 TIP3 12906 -0.240 -22.426 24.037 1.00 0.00 WAT +ATOM 45029 OH2 TIP3 12907 4.611 -23.503 27.321 1.00 0.00 WAT +ATOM 45030 H1 TIP3 12907 5.129 -24.036 27.954 1.00 0.00 WAT +ATOM 45031 H2 TIP3 12907 3.700 -23.828 27.448 1.00 0.00 WAT +ATOM 45032 OH2 TIP3 12908 7.788 -19.706 27.864 1.00 0.00 WAT +ATOM 45033 H1 TIP3 12908 7.149 -19.870 28.583 1.00 0.00 WAT +ATOM 45034 H2 TIP3 12908 7.687 -18.755 27.688 1.00 0.00 WAT +ATOM 45035 OH2 TIP3 12909 0.078 -18.526 25.039 1.00 0.00 WAT +ATOM 45036 H1 TIP3 12909 -0.753 -18.564 25.532 1.00 0.00 WAT +ATOM 45037 H2 TIP3 12909 -0.081 -17.775 24.443 1.00 0.00 WAT +ATOM 45038 OH2 TIP3 12910 0.043 -18.052 19.862 1.00 0.00 WAT +ATOM 45039 H1 TIP3 12910 -0.867 -18.396 19.976 1.00 0.00 WAT +ATOM 45040 H2 TIP3 12910 0.345 -18.647 19.162 1.00 0.00 WAT +ATOM 45041 OH2 TIP3 12911 5.615 -17.673 18.715 1.00 0.00 WAT +ATOM 45042 H1 TIP3 12911 5.255 -16.825 18.385 1.00 0.00 WAT +ATOM 45043 H2 TIP3 12911 6.373 -17.762 18.117 1.00 0.00 WAT +ATOM 45044 OH2 TIP3 12912 4.831 -17.445 30.115 1.00 0.00 WAT +ATOM 45045 H1 TIP3 12912 4.326 -18.212 30.454 1.00 0.00 WAT +ATOM 45046 H2 TIP3 12912 5.709 -17.591 30.514 1.00 0.00 WAT +ATOM 45047 OH2 TIP3 12913 6.537 -18.269 21.553 1.00 0.00 WAT +ATOM 45048 H1 TIP3 12913 6.225 -17.668 20.851 1.00 0.00 WAT +ATOM 45049 H2 TIP3 12913 6.715 -19.070 21.023 1.00 0.00 WAT +ATOM 45050 OH2 TIP3 12914 -2.707 -18.066 27.011 1.00 0.00 WAT +ATOM 45051 H1 TIP3 12914 -2.198 -17.878 27.807 1.00 0.00 WAT +ATOM 45052 H2 TIP3 12914 -2.943 -19.001 27.138 1.00 0.00 WAT +ATOM 45053 OH2 TIP3 12915 -5.545 -20.829 20.861 1.00 0.00 WAT +ATOM 45054 H1 TIP3 12915 -4.746 -20.773 21.420 1.00 0.00 WAT +ATOM 45055 H2 TIP3 12915 -5.177 -21.023 19.987 1.00 0.00 WAT +ATOM 45056 OH2 TIP3 12916 -4.206 -20.183 16.195 1.00 0.00 WAT +ATOM 45057 H1 TIP3 12916 -3.617 -19.704 15.577 1.00 0.00 WAT +ATOM 45058 H2 TIP3 12916 -4.874 -19.496 16.371 1.00 0.00 WAT +ATOM 45059 OH2 TIP3 12917 5.624 -16.580 25.998 1.00 0.00 WAT +ATOM 45060 H1 TIP3 12917 6.047 -17.302 25.480 1.00 0.00 WAT +ATOM 45061 H2 TIP3 12917 5.247 -17.068 26.742 1.00 0.00 WAT +ATOM 45062 OH2 TIP3 12918 2.493 -20.670 21.042 1.00 0.00 WAT +ATOM 45063 H1 TIP3 12918 1.545 -20.590 21.232 1.00 0.00 WAT +ATOM 45064 H2 TIP3 12918 2.869 -20.760 21.929 1.00 0.00 WAT +ATOM 45065 OH2 TIP3 12919 -2.619 -19.156 19.430 1.00 0.00 WAT +ATOM 45066 H1 TIP3 12919 -3.552 -19.105 19.168 1.00 0.00 WAT +ATOM 45067 H2 TIP3 12919 -2.385 -20.084 19.243 1.00 0.00 WAT +ATOM 45068 OH2 TIP3 12920 1.228 -19.170 17.172 1.00 0.00 WAT +ATOM 45069 H1 TIP3 12920 2.086 -18.910 17.540 1.00 0.00 WAT +ATOM 45070 H2 TIP3 12920 0.831 -18.343 16.875 1.00 0.00 WAT +ATOM 45071 OH2 TIP3 12921 7.191 -21.515 24.001 1.00 0.00 WAT +ATOM 45072 H1 TIP3 12921 6.548 -21.492 24.744 1.00 0.00 WAT +ATOM 45073 H2 TIP3 12921 6.601 -21.826 23.291 1.00 0.00 WAT +ATOM 45074 OH2 TIP3 12922 -0.824 -18.400 15.101 1.00 0.00 WAT +ATOM 45075 H1 TIP3 12922 -1.228 -18.273 14.232 1.00 0.00 WAT +ATOM 45076 H2 TIP3 12922 -0.257 -17.635 15.174 1.00 0.00 WAT +ATOM 45077 OH2 TIP3 12923 10.195 -5.710 30.681 1.00 0.00 WAT +ATOM 45078 H1 TIP3 12923 10.413 -5.263 29.846 1.00 0.00 WAT +ATOM 45079 H2 TIP3 12923 10.904 -5.399 31.268 1.00 0.00 WAT +ATOM 45080 OH2 TIP3 12924 -1.905 -13.063 30.116 1.00 0.00 WAT +ATOM 45081 H1 TIP3 12924 -1.214 -13.007 30.809 1.00 0.00 WAT +ATOM 45082 H2 TIP3 12924 -2.701 -13.114 30.676 1.00 0.00 WAT +ATOM 45083 OH2 TIP3 12925 3.820 -18.092 22.767 1.00 0.00 WAT +ATOM 45084 H1 TIP3 12925 4.579 -18.562 22.391 1.00 0.00 WAT +ATOM 45085 H2 TIP3 12925 3.596 -18.646 23.543 1.00 0.00 WAT +ATOM 45086 OH2 TIP3 12926 -0.839 -21.571 19.038 1.00 0.00 WAT +ATOM 45087 H1 TIP3 12926 -1.429 -22.273 19.375 1.00 0.00 WAT +ATOM 45088 H2 TIP3 12926 -0.207 -22.064 18.509 1.00 0.00 WAT +ATOM 45089 OH2 TIP3 12927 2.712 -19.468 25.077 1.00 0.00 WAT +ATOM 45090 H1 TIP3 12927 1.829 -19.038 25.089 1.00 0.00 WAT +ATOM 45091 H2 TIP3 12927 3.102 -19.187 25.929 1.00 0.00 WAT +ATOM 45092 OH2 TIP3 12928 2.863 -13.326 17.358 1.00 0.00 WAT +ATOM 45093 H1 TIP3 12928 2.237 -13.765 16.765 1.00 0.00 WAT +ATOM 45094 H2 TIP3 12928 2.572 -13.547 18.243 1.00 0.00 WAT +ATOM 45095 OH2 TIP3 12929 10.164 -14.090 25.702 1.00 0.00 WAT +ATOM 45096 H1 TIP3 12929 10.648 -13.531 25.057 1.00 0.00 WAT +ATOM 45097 H2 TIP3 12929 9.305 -14.205 25.247 1.00 0.00 WAT +ATOM 45098 OH2 TIP3 12930 6.581 -20.211 15.013 1.00 0.00 WAT +ATOM 45099 H1 TIP3 12930 5.810 -19.704 14.758 1.00 0.00 WAT +ATOM 45100 H2 TIP3 12930 7.185 -19.495 15.306 1.00 0.00 WAT +ATOM 45101 OH2 TIP3 12931 4.611 -13.222 28.300 1.00 0.00 WAT +ATOM 45102 H1 TIP3 12931 4.275 -13.548 29.145 1.00 0.00 WAT +ATOM 45103 H2 TIP3 12931 4.278 -12.311 28.275 1.00 0.00 WAT +ATOM 45104 OH2 TIP3 12932 7.804 -18.274 16.489 1.00 0.00 WAT +ATOM 45105 H1 TIP3 12932 8.585 -18.488 17.028 1.00 0.00 WAT +ATOM 45106 H2 TIP3 12932 8.048 -17.418 16.114 1.00 0.00 WAT +ATOM 45107 OH2 TIP3 12933 -1.857 -13.875 22.779 1.00 0.00 WAT +ATOM 45108 H1 TIP3 12933 -1.379 -14.034 21.955 1.00 0.00 WAT +ATOM 45109 H2 TIP3 12933 -1.923 -14.772 23.145 1.00 0.00 WAT +ATOM 45110 OH2 TIP3 12934 5.802 -12.156 16.083 1.00 0.00 WAT +ATOM 45111 H1 TIP3 12934 5.885 -12.655 15.249 1.00 0.00 WAT +ATOM 45112 H2 TIP3 12934 5.411 -11.330 15.776 1.00 0.00 WAT +ATOM 45113 OH2 TIP3 12935 -4.790 -15.528 28.127 1.00 0.00 WAT +ATOM 45114 H1 TIP3 12935 -4.498 -16.057 28.894 1.00 0.00 WAT +ATOM 45115 H2 TIP3 12935 -5.217 -16.184 27.551 1.00 0.00 WAT +ATOM 45116 OH2 TIP3 12936 2.273 -16.092 29.985 1.00 0.00 WAT +ATOM 45117 H1 TIP3 12936 1.978 -16.305 29.080 1.00 0.00 WAT +ATOM 45118 H2 TIP3 12936 3.205 -16.367 29.931 1.00 0.00 WAT +ATOM 45119 OH2 TIP3 12937 6.857 -10.641 27.760 1.00 0.00 WAT +ATOM 45120 H1 TIP3 12937 5.891 -10.570 27.673 1.00 0.00 WAT +ATOM 45121 H2 TIP3 12937 6.993 -10.385 28.685 1.00 0.00 WAT +ATOM 45122 OH2 TIP3 12938 12.355 -18.375 16.495 1.00 0.00 WAT +ATOM 45123 H1 TIP3 12938 11.835 -18.571 15.689 1.00 0.00 WAT +ATOM 45124 H2 TIP3 12938 12.574 -17.450 16.314 1.00 0.00 WAT +ATOM 45125 OH2 TIP3 12939 12.832 -12.540 29.324 1.00 0.00 WAT +ATOM 45126 H1 TIP3 12939 11.892 -12.330 29.132 1.00 0.00 WAT +ATOM 45127 H2 TIP3 12939 13.158 -12.728 28.422 1.00 0.00 WAT +ATOM 45128 OH2 TIP3 12940 11.212 -9.469 17.757 1.00 0.00 WAT +ATOM 45129 H1 TIP3 12940 10.542 -10.159 17.871 1.00 0.00 WAT +ATOM 45130 H2 TIP3 12940 11.174 -9.261 16.816 1.00 0.00 WAT +ATOM 45131 OH2 TIP3 12941 7.815 -14.660 24.017 1.00 0.00 WAT +ATOM 45132 H1 TIP3 12941 6.883 -14.805 23.762 1.00 0.00 WAT +ATOM 45133 H2 TIP3 12941 8.255 -15.363 23.501 1.00 0.00 WAT +ATOM 45134 OH2 TIP3 12942 -3.793 -14.976 14.689 1.00 0.00 WAT +ATOM 45135 H1 TIP3 12942 -3.273 -15.547 15.252 1.00 0.00 WAT +ATOM 45136 H2 TIP3 12942 -4.713 -15.203 14.981 1.00 0.00 WAT +ATOM 45137 OH2 TIP3 12943 1.897 -12.374 20.401 1.00 0.00 WAT +ATOM 45138 H1 TIP3 12943 1.822 -11.754 19.669 1.00 0.00 WAT +ATOM 45139 H2 TIP3 12943 1.298 -13.101 20.165 1.00 0.00 WAT +ATOM 45140 OH2 TIP3 12944 2.441 -8.610 26.020 1.00 0.00 WAT +ATOM 45141 H1 TIP3 12944 2.979 -7.864 25.691 1.00 0.00 WAT +ATOM 45142 H2 TIP3 12944 3.096 -9.094 26.546 1.00 0.00 WAT +ATOM 45143 OH2 TIP3 12945 5.875 -12.861 25.596 1.00 0.00 WAT +ATOM 45144 H1 TIP3 12945 5.569 -13.159 26.472 1.00 0.00 WAT +ATOM 45145 H2 TIP3 12945 6.585 -13.495 25.402 1.00 0.00 WAT +ATOM 45146 OH2 TIP3 12946 8.800 -8.288 27.980 1.00 0.00 WAT +ATOM 45147 H1 TIP3 12946 8.043 -8.749 27.568 1.00 0.00 WAT +ATOM 45148 H2 TIP3 12946 8.889 -7.498 27.415 1.00 0.00 WAT +ATOM 45149 OH2 TIP3 12947 -3.394 -20.873 27.758 1.00 0.00 WAT +ATOM 45150 H1 TIP3 12947 -4.264 -20.655 27.370 1.00 0.00 WAT +ATOM 45151 H2 TIP3 12947 -3.517 -21.808 27.994 1.00 0.00 WAT +ATOM 45152 OH2 TIP3 12948 9.403 -12.960 16.520 1.00 0.00 WAT +ATOM 45153 H1 TIP3 12948 8.848 -13.574 17.018 1.00 0.00 WAT +ATOM 45154 H2 TIP3 12948 10.145 -12.814 17.111 1.00 0.00 WAT +ATOM 45155 OH2 TIP3 12949 -3.652 -9.106 26.053 1.00 0.00 WAT +ATOM 45156 H1 TIP3 12949 -3.319 -10.015 26.061 1.00 0.00 WAT +ATOM 45157 H2 TIP3 12949 -3.285 -8.782 26.884 1.00 0.00 WAT +ATOM 45158 OH2 TIP3 12950 5.620 -21.089 26.188 1.00 0.00 WAT +ATOM 45159 H1 TIP3 12950 6.208 -20.816 26.905 1.00 0.00 WAT +ATOM 45160 H2 TIP3 12950 5.097 -21.805 26.598 1.00 0.00 WAT +ATOM 45161 OH2 TIP3 12951 6.346 -21.683 17.332 1.00 0.00 WAT +ATOM 45162 H1 TIP3 12951 6.511 -21.039 16.610 1.00 0.00 WAT +ATOM 45163 H2 TIP3 12951 6.668 -21.194 18.108 1.00 0.00 WAT +ATOM 45164 OH2 TIP3 12952 3.712 -19.723 18.514 1.00 0.00 WAT +ATOM 45165 H1 TIP3 12952 4.411 -19.052 18.664 1.00 0.00 WAT +ATOM 45166 H2 TIP3 12952 3.305 -19.811 19.395 1.00 0.00 WAT +ATOM 45167 OH2 TIP3 12953 4.001 -18.728 27.577 1.00 0.00 WAT +ATOM 45168 H1 TIP3 12953 4.081 -18.213 28.397 1.00 0.00 WAT +ATOM 45169 H2 TIP3 12953 4.543 -19.503 27.771 1.00 0.00 WAT +ATOM 45170 OH2 TIP3 12954 4.273 -22.627 19.407 1.00 0.00 WAT +ATOM 45171 H1 TIP3 12954 3.986 -21.925 20.018 1.00 0.00 WAT +ATOM 45172 H2 TIP3 12954 4.915 -22.145 18.859 1.00 0.00 WAT +ATOM 45173 OH2 TIP3 12955 -0.012 -21.608 15.899 1.00 0.00 WAT +ATOM 45174 H1 TIP3 12955 -0.030 -20.722 16.302 1.00 0.00 WAT +ATOM 45175 H2 TIP3 12955 0.869 -21.917 16.128 1.00 0.00 WAT +ATOM 45176 OH2 TIP3 12956 10.314 -20.729 28.455 1.00 0.00 WAT +ATOM 45177 H1 TIP3 12956 9.353 -20.591 28.325 1.00 0.00 WAT +ATOM 45178 H2 TIP3 12956 10.546 -20.954 27.542 1.00 0.00 WAT +ATOM 45179 OH2 TIP3 12957 8.861 -16.877 22.462 1.00 0.00 WAT +ATOM 45180 H1 TIP3 12957 8.028 -17.305 22.189 1.00 0.00 WAT +ATOM 45181 H2 TIP3 12957 9.322 -17.608 22.925 1.00 0.00 WAT +ATOM 45182 OH2 TIP3 12958 -3.683 -18.498 13.946 1.00 0.00 WAT +ATOM 45183 H1 TIP3 12958 -3.426 -17.572 13.974 1.00 0.00 WAT +ATOM 45184 H2 TIP3 12958 -4.591 -18.442 13.626 1.00 0.00 WAT +ATOM 45185 OH2 TIP3 12959 9.845 -7.954 23.964 1.00 0.00 WAT +ATOM 45186 H1 TIP3 12959 9.571 -7.248 23.347 1.00 0.00 WAT +ATOM 45187 H2 TIP3 12959 10.794 -7.767 24.054 1.00 0.00 WAT +ATOM 45188 OH2 TIP3 12960 -4.281 -7.125 30.314 1.00 0.00 WAT +ATOM 45189 H1 TIP3 12960 -3.654 -7.448 30.990 1.00 0.00 WAT +ATOM 45190 H2 TIP3 12960 -4.630 -7.971 29.964 1.00 0.00 WAT +ATOM 45191 OH2 TIP3 12961 0.375 -8.079 32.079 1.00 0.00 WAT +ATOM 45192 H1 TIP3 12961 1.111 -8.681 32.278 1.00 0.00 WAT +ATOM 45193 H2 TIP3 12961 0.195 -8.323 31.154 1.00 0.00 WAT +ATOM 45194 OH2 TIP3 12962 6.888 -9.772 30.670 1.00 0.00 WAT +ATOM 45195 H1 TIP3 12962 6.517 -10.605 31.010 1.00 0.00 WAT +ATOM 45196 H2 TIP3 12962 7.599 -9.582 31.306 1.00 0.00 WAT +ATOM 45197 OH2 TIP3 12963 -4.333 -13.489 31.426 1.00 0.00 WAT +ATOM 45198 H1 TIP3 12963 -4.196 -14.392 31.089 1.00 0.00 WAT +ATOM 45199 H2 TIP3 12963 -5.063 -13.195 30.846 1.00 0.00 WAT +ATOM 45200 OH2 TIP3 12964 2.295 -13.319 30.747 1.00 0.00 WAT +ATOM 45201 H1 TIP3 12964 2.021 -12.979 29.878 1.00 0.00 WAT +ATOM 45202 H2 TIP3 12964 2.380 -14.280 30.581 1.00 0.00 WAT +ATOM 45203 OH2 TIP3 12965 7.701 -13.687 28.152 1.00 0.00 WAT +ATOM 45204 H1 TIP3 12965 8.466 -13.139 27.924 1.00 0.00 WAT +ATOM 45205 H2 TIP3 12965 6.984 -13.033 28.111 1.00 0.00 WAT +ATOM 45206 OH2 TIP3 12966 -3.443 -16.350 30.579 1.00 0.00 WAT +ATOM 45207 H1 TIP3 12966 -2.699 -16.976 30.543 1.00 0.00 WAT +ATOM 45208 H2 TIP3 12966 -3.488 -16.179 31.533 1.00 0.00 WAT +ATOM 45209 OH2 TIP3 12967 0.237 -17.286 27.914 1.00 0.00 WAT +ATOM 45210 H1 TIP3 12967 -0.286 -16.491 28.110 1.00 0.00 WAT +ATOM 45211 H2 TIP3 12967 0.850 -16.945 27.237 1.00 0.00 WAT +ATOM 45212 OH2 TIP3 12968 5.527 -14.514 31.587 1.00 0.00 WAT +ATOM 45213 H1 TIP3 12968 6.413 -14.710 31.251 1.00 0.00 WAT +ATOM 45214 H2 TIP3 12968 5.266 -15.370 31.955 1.00 0.00 WAT +ATOM 45215 OH2 TIP3 12969 0.815 -19.914 29.141 1.00 0.00 WAT +ATOM 45216 H1 TIP3 12969 0.885 -20.595 28.448 1.00 0.00 WAT +ATOM 45217 H2 TIP3 12969 0.608 -19.125 28.605 1.00 0.00 WAT +ATOM 45218 OH2 TIP3 12970 1.236 -21.492 26.603 1.00 0.00 WAT +ATOM 45219 H1 TIP3 12970 1.732 -20.916 25.991 1.00 0.00 WAT +ATOM 45220 H2 TIP3 12970 0.318 -21.407 26.258 1.00 0.00 WAT +ATOM 45221 OH2 TIP3 12971 2.723 -15.991 27.033 1.00 0.00 WAT +ATOM 45222 H1 TIP3 12971 3.524 -16.094 26.502 1.00 0.00 WAT +ATOM 45223 H2 TIP3 12971 2.379 -15.138 26.697 1.00 0.00 WAT +ATOM 45224 OH2 TIP3 12972 7.264 -18.089 31.779 1.00 0.00 WAT +ATOM 45225 H1 TIP3 12972 7.483 -19.021 31.932 1.00 0.00 WAT +ATOM 45226 H2 TIP3 12972 8.145 -17.688 31.733 1.00 0.00 WAT +ATOM 45227 OH2 TIP3 12973 8.242 -15.294 30.283 1.00 0.00 WAT +ATOM 45228 H1 TIP3 12973 7.889 -14.685 29.600 1.00 0.00 WAT +ATOM 45229 H2 TIP3 12973 9.130 -15.456 29.907 1.00 0.00 WAT +ATOM 45230 OH2 TIP3 12974 -0.975 -18.083 30.923 1.00 0.00 WAT +ATOM 45231 H1 TIP3 12974 -1.501 -18.903 30.921 1.00 0.00 WAT +ATOM 45232 H2 TIP3 12974 -0.165 -18.378 30.477 1.00 0.00 WAT +ATOM 45233 OH2 TIP3 12975 1.881 -24.161 26.973 1.00 0.00 WAT +ATOM 45234 H1 TIP3 12975 1.716 -23.207 26.798 1.00 0.00 WAT +ATOM 45235 H2 TIP3 12975 1.184 -24.572 26.425 1.00 0.00 WAT +ATOM 45236 OH2 TIP3 12976 3.128 -19.579 30.746 1.00 0.00 WAT +ATOM 45237 H1 TIP3 12976 2.748 -19.784 31.618 1.00 0.00 WAT +ATOM 45238 H2 TIP3 12976 2.340 -19.742 30.184 1.00 0.00 WAT +ATOM 45239 OH2 TIP3 12977 5.672 -20.518 29.599 1.00 0.00 WAT +ATOM 45240 H1 TIP3 12977 4.784 -20.460 30.000 1.00 0.00 WAT +ATOM 45241 H2 TIP3 12977 6.120 -21.145 30.196 1.00 0.00 WAT +ATOM 45242 OH2 TIP3 12978 7.535 -22.039 31.344 1.00 0.00 WAT +ATOM 45243 H1 TIP3 12978 7.352 -22.984 31.506 1.00 0.00 WAT +ATOM 45244 H2 TIP3 12978 7.330 -21.619 32.201 1.00 0.00 WAT +ATOM 45245 OH2 TIP3 12979 -2.259 -20.631 30.802 1.00 0.00 WAT +ATOM 45246 H1 TIP3 12979 -2.400 -21.283 30.096 1.00 0.00 WAT +ATOM 45247 H2 TIP3 12979 -2.559 -21.120 31.589 1.00 0.00 WAT +ATOM 45248 OH2 TIP3 12980 1.694 -24.658 29.773 1.00 0.00 WAT +ATOM 45249 H1 TIP3 12980 2.313 -25.405 29.808 1.00 0.00 WAT +ATOM 45250 H2 TIP3 12980 1.651 -24.502 28.808 1.00 0.00 WAT +ATOM 45251 OH2 TIP3 12981 2.632 -22.798 31.644 1.00 0.00 WAT +ATOM 45252 H1 TIP3 12981 2.349 -23.375 30.906 1.00 0.00 WAT +ATOM 45253 H2 TIP3 12981 1.960 -22.099 31.629 1.00 0.00 WAT +ATOM 45254 OH2 TIP3 12982 -5.114 -7.855 21.216 1.00 0.00 WAT +ATOM 45255 H1 TIP3 12982 -5.250 -8.811 21.198 1.00 0.00 WAT +ATOM 45256 H2 TIP3 12982 -4.591 -7.732 22.008 1.00 0.00 WAT +ATOM 45257 OH2 TIP3 12983 12.572 -6.868 24.374 1.00 0.00 WAT +ATOM 45258 H1 TIP3 12983 12.733 -6.898 25.329 1.00 0.00 WAT +ATOM 45259 H2 TIP3 12983 13.418 -6.544 24.038 1.00 0.00 WAT +ATOM 45260 OH2 TIP3 12984 12.475 -7.423 27.253 1.00 0.00 WAT +ATOM 45261 H1 TIP3 12984 11.933 -8.148 26.889 1.00 0.00 WAT +ATOM 45262 H2 TIP3 12984 13.001 -7.912 27.903 1.00 0.00 WAT +ATOM 45263 OH2 TIP3 12985 10.457 -11.999 31.549 1.00 0.00 WAT +ATOM 45264 H1 TIP3 12985 9.570 -11.921 31.938 1.00 0.00 WAT +ATOM 45265 H2 TIP3 12985 10.902 -11.190 31.855 1.00 0.00 WAT +ATOM 45266 OH2 TIP3 12986 12.384 -15.100 18.942 1.00 0.00 WAT +ATOM 45267 H1 TIP3 12986 11.590 -15.458 19.373 1.00 0.00 WAT +ATOM 45268 H2 TIP3 12986 12.918 -14.775 19.683 1.00 0.00 WAT +ATOM 45269 OH2 TIP3 12987 12.068 -12.633 24.267 1.00 0.00 WAT +ATOM 45270 H1 TIP3 12987 12.647 -13.113 23.655 1.00 0.00 WAT +ATOM 45271 H2 TIP3 12987 12.123 -11.725 23.923 1.00 0.00 WAT +ATOM 45272 OH2 TIP3 12988 10.756 -9.728 26.491 1.00 0.00 WAT +ATOM 45273 H1 TIP3 12988 10.016 -9.306 26.962 1.00 0.00 WAT +ATOM 45274 H2 TIP3 12988 10.313 -10.050 25.679 1.00 0.00 WAT +ATOM 45275 OH2 TIP3 12989 10.919 -18.126 13.985 1.00 0.00 WAT +ATOM 45276 H1 TIP3 12989 11.096 -17.494 13.279 1.00 0.00 WAT +ATOM 45277 H2 TIP3 12989 10.662 -18.926 13.495 1.00 0.00 WAT +ATOM 45278 OH2 TIP3 12990 10.226 -16.860 19.946 1.00 0.00 WAT +ATOM 45279 H1 TIP3 12990 10.148 -17.813 19.790 1.00 0.00 WAT +ATOM 45280 H2 TIP3 12990 9.871 -16.767 20.851 1.00 0.00 WAT +ATOM 45281 OH2 TIP3 12991 -4.926 -14.762 23.750 1.00 0.00 WAT +ATOM 45282 H1 TIP3 12991 -4.710 -14.754 22.793 1.00 0.00 WAT +ATOM 45283 H2 TIP3 12991 -4.053 -15.016 24.120 1.00 0.00 WAT +ATOM 45284 OH2 TIP3 12992 10.849 -15.073 29.205 1.00 0.00 WAT +ATOM 45285 H1 TIP3 12992 11.588 -15.684 29.386 1.00 0.00 WAT +ATOM 45286 H2 TIP3 12992 11.300 -14.239 29.019 1.00 0.00 WAT +ATOM 45287 OH2 TIP3 12993 12.413 -16.967 30.421 1.00 0.00 WAT +ATOM 45288 H1 TIP3 12993 11.613 -17.493 30.200 1.00 0.00 WAT +ATOM 45289 H2 TIP3 12993 13.106 -17.654 30.396 1.00 0.00 WAT +ATOM 45290 OH2 TIP3 12994 10.183 -20.937 13.250 1.00 0.00 WAT +ATOM 45291 H1 TIP3 12994 10.873 -21.279 13.844 1.00 0.00 WAT +ATOM 45292 H2 TIP3 12994 9.396 -21.407 13.540 1.00 0.00 WAT +ATOM 45293 OH2 TIP3 12995 10.018 -19.407 18.190 1.00 0.00 WAT +ATOM 45294 H1 TIP3 12995 10.316 -20.338 18.251 1.00 0.00 WAT +ATOM 45295 H2 TIP3 12995 10.804 -18.992 17.796 1.00 0.00 WAT +ATOM 45296 OH2 TIP3 12996 10.345 -18.921 23.680 1.00 0.00 WAT +ATOM 45297 H1 TIP3 12996 11.313 -18.791 23.657 1.00 0.00 WAT +ATOM 45298 H2 TIP3 12996 10.188 -18.865 24.639 1.00 0.00 WAT +ATOM 45299 OH2 TIP3 12997 10.520 -18.197 26.496 1.00 0.00 WAT +ATOM 45300 H1 TIP3 12997 9.660 -17.828 26.771 1.00 0.00 WAT +ATOM 45301 H2 TIP3 12997 11.026 -17.390 26.290 1.00 0.00 WAT +ATOM 45302 OH2 TIP3 12998 -4.998 -19.428 30.238 1.00 0.00 WAT +ATOM 45303 H1 TIP3 12998 -4.067 -19.687 30.133 1.00 0.00 WAT +ATOM 45304 H2 TIP3 12998 -5.437 -20.297 30.236 1.00 0.00 WAT +ATOM 45305 OH2 TIP3 12999 13.095 -24.040 31.798 1.00 0.00 WAT +ATOM 45306 H1 TIP3 12999 13.478 -24.733 31.229 1.00 0.00 WAT +ATOM 45307 H2 TIP3 12999 13.096 -23.265 31.204 1.00 0.00 WAT +ATOM 45308 OH2 TIP3 13000 10.592 -22.251 18.233 1.00 0.00 WAT +ATOM 45309 H1 TIP3 13000 10.695 -22.573 19.146 1.00 0.00 WAT +ATOM 45310 H2 TIP3 13000 9.807 -22.758 17.940 1.00 0.00 WAT +ATOM 45311 OH2 TIP3 13001 -5.666 -18.392 23.945 1.00 0.00 WAT +ATOM 45312 H1 TIP3 13001 -5.011 -18.641 23.271 1.00 0.00 WAT +ATOM 45313 H2 TIP3 13001 -5.214 -17.637 24.338 1.00 0.00 WAT +ATOM 45314 OH2 TIP3 13002 12.451 -22.001 30.039 1.00 0.00 WAT +ATOM 45315 H1 TIP3 13002 11.577 -21.573 30.102 1.00 0.00 WAT +ATOM 45316 H2 TIP3 13002 12.314 -22.543 29.240 1.00 0.00 WAT +ATOM 45317 OH2 TIP3 13003 12.519 -21.814 14.904 1.00 0.00 WAT +ATOM 45318 H1 TIP3 13003 12.829 -22.561 14.361 1.00 0.00 WAT +ATOM 45319 H2 TIP3 13003 13.307 -21.246 14.920 1.00 0.00 WAT +ATOM 45320 OH2 TIP3 13004 -5.214 -22.025 18.102 1.00 0.00 WAT +ATOM 45321 H1 TIP3 13004 -6.151 -21.962 17.859 1.00 0.00 WAT +ATOM 45322 H2 TIP3 13004 -4.778 -21.455 17.439 1.00 0.00 WAT +ATOM 45323 OH2 TIP3 13005 10.359 -6.547 19.656 1.00 0.00 WAT +ATOM 45324 H1 TIP3 13005 10.128 -7.288 19.072 1.00 0.00 WAT +ATOM 45325 H2 TIP3 13005 9.804 -6.738 20.421 1.00 0.00 WAT +ATOM 45326 OH2 TIP3 13006 -5.127 -23.229 26.309 1.00 0.00 WAT +ATOM 45327 H1 TIP3 13006 -5.936 -23.418 26.801 1.00 0.00 WAT +ATOM 45328 H2 TIP3 13006 -5.465 -22.695 25.565 1.00 0.00 WAT +ATOM 45329 OH2 TIP3 13007 -3.157 -10.054 30.926 1.00 0.00 WAT +ATOM 45330 H1 TIP3 13007 -3.813 -10.189 30.226 1.00 0.00 WAT +ATOM 45331 H2 TIP3 13007 -3.680 -10.150 31.728 1.00 0.00 WAT +ATOM 45332 OH2 TIP3 13008 -0.322 -9.089 26.609 1.00 0.00 WAT +ATOM 45333 H1 TIP3 13008 -0.601 -8.252 26.198 1.00 0.00 WAT +ATOM 45334 H2 TIP3 13008 0.637 -9.043 26.412 1.00 0.00 WAT +ATOM 45335 OH2 TIP3 13009 4.176 -7.799 29.599 1.00 0.00 WAT +ATOM 45336 H1 TIP3 13009 4.370 -7.996 30.529 1.00 0.00 WAT +ATOM 45337 H2 TIP3 13009 5.004 -7.362 29.313 1.00 0.00 WAT +ATOM 45338 OH2 TIP3 13010 6.470 -6.343 28.834 1.00 0.00 WAT +ATOM 45339 H1 TIP3 13010 7.148 -6.980 28.561 1.00 0.00 WAT +ATOM 45340 H2 TIP3 13010 6.795 -6.073 29.714 1.00 0.00 WAT +ATOM 45341 OH2 TIP3 13011 11.321 -23.763 28.019 1.00 0.00 WAT +ATOM 45342 H1 TIP3 13011 10.517 -23.554 27.511 1.00 0.00 WAT +ATOM 45343 H2 TIP3 13011 11.528 -24.661 27.685 1.00 0.00 WAT +ATOM 45344 OH2 TIP3 13012 -2.898 -6.150 26.951 1.00 0.00 WAT +ATOM 45345 H1 TIP3 13012 -3.485 -5.562 26.448 1.00 0.00 WAT +ATOM 45346 H2 TIP3 13012 -3.331 -6.158 27.810 1.00 0.00 WAT +ATOM 45347 OH2 TIP3 13013 -0.381 -6.357 25.512 1.00 0.00 WAT +ATOM 45348 H1 TIP3 13013 -1.267 -6.194 25.886 1.00 0.00 WAT +ATOM 45349 H2 TIP3 13013 -0.368 -5.781 24.725 1.00 0.00 WAT +ATOM 45350 OH2 TIP3 13014 4.196 -6.421 25.017 1.00 0.00 WAT +ATOM 45351 H1 TIP3 13014 3.906 -6.020 24.167 1.00 0.00 WAT +ATOM 45352 H2 TIP3 13014 4.389 -5.620 25.527 1.00 0.00 WAT +ATOM 45353 OH2 TIP3 13015 6.593 -7.663 25.977 1.00 0.00 WAT +ATOM 45354 H1 TIP3 13015 5.769 -7.367 25.546 1.00 0.00 WAT +ATOM 45355 H2 TIP3 13015 7.161 -6.896 25.833 1.00 0.00 WAT +ATOM 45356 OH2 TIP3 13016 9.201 -5.959 26.141 1.00 0.00 WAT +ATOM 45357 H1 TIP3 13016 9.106 -5.028 25.865 1.00 0.00 WAT +ATOM 45358 H2 TIP3 13016 9.398 -6.389 25.289 1.00 0.00 WAT +ATOM 45359 OH2 TIP3 13017 -3.388 -7.148 23.885 1.00 0.00 WAT +ATOM 45360 H1 TIP3 13017 -3.398 -7.721 24.677 1.00 0.00 WAT +ATOM 45361 H2 TIP3 13017 -2.673 -7.598 23.375 1.00 0.00 WAT +ATOM 45362 OH2 TIP3 13018 -1.439 -8.570 22.623 1.00 0.00 WAT +ATOM 45363 H1 TIP3 13018 -1.540 -9.538 22.670 1.00 0.00 WAT +ATOM 45364 H2 TIP3 13018 -0.470 -8.462 22.689 1.00 0.00 WAT +ATOM 45365 OH2 TIP3 13019 1.333 -8.178 23.141 1.00 0.00 WAT +ATOM 45366 H1 TIP3 13019 1.593 -9.085 22.910 1.00 0.00 WAT +ATOM 45367 H2 TIP3 13019 1.485 -8.171 24.098 1.00 0.00 WAT +ATOM 45368 OH2 TIP3 13020 4.725 -22.226 22.481 1.00 0.00 WAT +ATOM 45369 H1 TIP3 13020 4.014 -22.871 22.648 1.00 0.00 WAT +ATOM 45370 H2 TIP3 13020 5.276 -22.694 21.837 1.00 0.00 WAT +ATOM 45371 OH2 TIP3 13021 9.695 -24.251 22.944 1.00 0.00 WAT +ATOM 45372 H1 TIP3 13021 10.446 -23.797 22.524 1.00 0.00 WAT +ATOM 45373 H2 TIP3 13021 8.943 -23.954 22.401 1.00 0.00 WAT +ATOM 45374 OH2 TIP3 13022 11.782 -23.157 20.823 1.00 0.00 WAT +ATOM 45375 H1 TIP3 13022 12.488 -23.559 20.287 1.00 0.00 WAT +ATOM 45376 H2 TIP3 13022 12.093 -22.232 20.900 1.00 0.00 WAT +ATOM 45377 OH2 TIP3 13023 -2.747 -23.535 19.990 1.00 0.00 WAT +ATOM 45378 H1 TIP3 13023 -3.669 -23.701 19.726 1.00 0.00 WAT +ATOM 45379 H2 TIP3 13023 -2.425 -24.426 20.165 1.00 0.00 WAT +ATOM 45380 OH2 TIP3 13024 -4.093 -24.073 15.895 1.00 0.00 WAT +ATOM 45381 H1 TIP3 13024 -3.580 -23.408 15.389 1.00 0.00 WAT +ATOM 45382 H2 TIP3 13024 -4.494 -23.518 16.583 1.00 0.00 WAT +ATOM 45383 OH2 TIP3 13025 1.661 -23.877 19.862 1.00 0.00 WAT +ATOM 45384 H1 TIP3 13025 2.524 -23.434 19.822 1.00 0.00 WAT +ATOM 45385 H2 TIP3 13025 1.426 -23.765 20.789 1.00 0.00 WAT +ATOM 45386 OH2 TIP3 13026 7.187 -23.694 21.342 1.00 0.00 WAT +ATOM 45387 H1 TIP3 13026 7.406 -23.838 20.412 1.00 0.00 WAT +ATOM 45388 H2 TIP3 13026 6.758 -24.537 21.578 1.00 0.00 WAT +ATOM 45389 OH2 TIP3 13027 8.303 -23.710 17.322 1.00 0.00 WAT +ATOM 45390 H1 TIP3 13027 7.501 -23.161 17.215 1.00 0.00 WAT +ATOM 45391 H2 TIP3 13027 7.917 -24.593 17.464 1.00 0.00 WAT +ATOM 45392 OH2 TIP3 13028 -2.427 -22.295 14.364 1.00 0.00 WAT +ATOM 45393 H1 TIP3 13028 -1.755 -22.687 13.785 1.00 0.00 WAT +ATOM 45394 H2 TIP3 13028 -1.863 -21.809 14.994 1.00 0.00 WAT +ATOM 45395 OH2 TIP3 13029 3.201 -22.094 16.531 1.00 0.00 WAT +ATOM 45396 H1 TIP3 13029 3.014 -22.668 17.289 1.00 0.00 WAT +ATOM 45397 H2 TIP3 13029 3.061 -21.223 16.947 1.00 0.00 WAT +ATOM 45398 OH2 TIP3 13030 -3.138 -23.332 29.611 1.00 0.00 WAT +ATOM 45399 H1 TIP3 13030 -3.489 -24.174 29.948 1.00 0.00 WAT +ATOM 45400 H2 TIP3 13030 -2.193 -23.428 29.801 1.00 0.00 WAT +ATOM 45401 OH2 TIP3 13031 -0.696 -23.920 31.329 1.00 0.00 WAT +ATOM 45402 H1 TIP3 13031 0.115 -24.259 30.900 1.00 0.00 WAT +ATOM 45403 H2 TIP3 13031 -1.058 -24.734 31.710 1.00 0.00 WAT +ATOM 45404 OH2 TIP3 13032 7.396 -24.840 31.470 1.00 0.00 WAT +ATOM 45405 H1 TIP3 13032 7.440 -25.239 32.360 1.00 0.00 WAT +ATOM 45406 H2 TIP3 13032 8.334 -24.858 31.204 1.00 0.00 WAT +ATOM 45407 OH2 TIP3 13033 10.765 -8.482 30.160 1.00 0.00 WAT +ATOM 45408 H1 TIP3 13033 10.037 -8.681 29.542 1.00 0.00 WAT +ATOM 45409 H2 TIP3 13033 10.581 -7.545 30.357 1.00 0.00 WAT +ATOM 45410 OH2 TIP3 13034 24.957 -14.784 20.304 1.00 0.00 WAT +ATOM 45411 H1 TIP3 13034 24.967 -13.814 20.346 1.00 0.00 WAT +ATOM 45412 H2 TIP3 13034 24.239 -14.936 19.675 1.00 0.00 WAT +ATOM 45413 OH2 TIP3 13035 23.765 -15.366 23.372 1.00 0.00 WAT +ATOM 45414 H1 TIP3 13035 23.815 -15.909 24.177 1.00 0.00 WAT +ATOM 45415 H2 TIP3 13035 23.568 -16.036 22.700 1.00 0.00 WAT +ATOM 45416 OH2 TIP3 13036 16.342 -15.734 24.983 1.00 0.00 WAT +ATOM 45417 H1 TIP3 13036 16.263 -16.486 25.599 1.00 0.00 WAT +ATOM 45418 H2 TIP3 13036 16.998 -15.191 25.443 1.00 0.00 WAT +ATOM 45419 OH2 TIP3 13037 27.547 -12.595 21.665 1.00 0.00 WAT +ATOM 45420 H1 TIP3 13037 27.143 -13.324 22.158 1.00 0.00 WAT +ATOM 45421 H2 TIP3 13037 27.741 -11.975 22.381 1.00 0.00 WAT +ATOM 45422 OH2 TIP3 13038 16.934 -11.209 23.505 1.00 0.00 WAT +ATOM 45423 H1 TIP3 13038 16.713 -12.104 23.182 1.00 0.00 WAT +ATOM 45424 H2 TIP3 13038 17.867 -11.326 23.741 1.00 0.00 WAT +ATOM 45425 OH2 TIP3 13039 13.860 -17.718 19.029 1.00 0.00 WAT +ATOM 45426 H1 TIP3 13039 13.504 -16.812 19.057 1.00 0.00 WAT +ATOM 45427 H2 TIP3 13039 13.210 -18.149 18.461 1.00 0.00 WAT +ATOM 45428 OH2 TIP3 13040 14.611 -15.222 20.840 1.00 0.00 WAT +ATOM 45429 H1 TIP3 13040 14.745 -16.111 21.220 1.00 0.00 WAT +ATOM 45430 H2 TIP3 13040 15.393 -15.122 20.287 1.00 0.00 WAT +ATOM 45431 OH2 TIP3 13041 24.605 -7.252 22.265 1.00 0.00 WAT +ATOM 45432 H1 TIP3 13041 25.178 -7.992 21.989 1.00 0.00 WAT +ATOM 45433 H2 TIP3 13041 24.270 -7.576 23.112 1.00 0.00 WAT +ATOM 45434 OH2 TIP3 13042 22.325 -12.864 23.895 1.00 0.00 WAT +ATOM 45435 H1 TIP3 13042 22.673 -13.616 23.383 1.00 0.00 WAT +ATOM 45436 H2 TIP3 13042 23.108 -12.695 24.453 1.00 0.00 WAT +ATOM 45437 OH2 TIP3 13043 30.965 -21.334 24.549 1.00 0.00 WAT +ATOM 45438 H1 TIP3 13043 31.191 -20.777 25.312 1.00 0.00 WAT +ATOM 45439 H2 TIP3 13043 31.618 -21.024 23.899 1.00 0.00 WAT +ATOM 45440 OH2 TIP3 13044 25.609 -18.504 24.425 1.00 0.00 WAT +ATOM 45441 H1 TIP3 13044 25.733 -19.462 24.540 1.00 0.00 WAT +ATOM 45442 H2 TIP3 13044 25.495 -18.439 23.463 1.00 0.00 WAT +ATOM 45443 OH2 TIP3 13045 18.580 -20.499 21.520 1.00 0.00 WAT +ATOM 45444 H1 TIP3 13045 18.653 -19.659 21.048 1.00 0.00 WAT +ATOM 45445 H2 TIP3 13045 18.239 -21.066 20.798 1.00 0.00 WAT +ATOM 45446 OH2 TIP3 13046 26.425 -20.323 19.858 1.00 0.00 WAT +ATOM 45447 H1 TIP3 13046 27.009 -20.763 20.513 1.00 0.00 WAT +ATOM 45448 H2 TIP3 13046 27.079 -19.896 19.285 1.00 0.00 WAT +ATOM 45449 OH2 TIP3 13047 15.301 -17.738 22.026 1.00 0.00 WAT +ATOM 45450 H1 TIP3 13047 15.866 -18.287 22.593 1.00 0.00 WAT +ATOM 45451 H2 TIP3 13047 15.310 -18.236 21.191 1.00 0.00 WAT +ATOM 45452 OH2 TIP3 13048 20.642 -16.268 21.150 1.00 0.00 WAT +ATOM 45453 H1 TIP3 13048 21.308 -16.745 21.686 1.00 0.00 WAT +ATOM 45454 H2 TIP3 13048 19.959 -16.956 21.049 1.00 0.00 WAT +ATOM 45455 OH2 TIP3 13049 31.739 -19.892 27.068 1.00 0.00 WAT +ATOM 45456 H1 TIP3 13049 31.043 -19.258 26.818 1.00 0.00 WAT +ATOM 45457 H2 TIP3 13049 31.453 -20.101 27.973 1.00 0.00 WAT +ATOM 45458 OH2 TIP3 13050 17.386 -21.722 25.677 1.00 0.00 WAT +ATOM 45459 H1 TIP3 13050 16.965 -21.227 24.958 1.00 0.00 WAT +ATOM 45460 H2 TIP3 13050 16.727 -21.595 26.390 1.00 0.00 WAT +ATOM 45461 OH2 TIP3 13051 24.789 -11.977 18.971 1.00 0.00 WAT +ATOM 45462 H1 TIP3 13051 24.641 -12.101 18.013 1.00 0.00 WAT +ATOM 45463 H2 TIP3 13051 24.370 -11.111 19.119 1.00 0.00 WAT +ATOM 45464 OH2 TIP3 13052 20.304 -13.833 25.787 1.00 0.00 WAT +ATOM 45465 H1 TIP3 13052 19.572 -13.244 26.074 1.00 0.00 WAT +ATOM 45466 H2 TIP3 13052 20.926 -13.200 25.386 1.00 0.00 WAT +ATOM 45467 OH2 TIP3 13053 28.295 -21.111 21.875 1.00 0.00 WAT +ATOM 45468 H1 TIP3 13053 27.854 -21.696 22.505 1.00 0.00 WAT +ATOM 45469 H2 TIP3 13053 28.769 -20.504 22.470 1.00 0.00 WAT +ATOM 45470 OH2 TIP3 13054 16.973 -19.686 23.629 1.00 0.00 WAT +ATOM 45471 H1 TIP3 13054 17.617 -19.114 24.097 1.00 0.00 WAT +ATOM 45472 H2 TIP3 13054 17.547 -20.061 22.927 1.00 0.00 WAT +ATOM 45473 OH2 TIP3 13055 18.294 -11.983 26.520 1.00 0.00 WAT +ATOM 45474 H1 TIP3 13055 18.261 -11.054 26.224 1.00 0.00 WAT +ATOM 45475 H2 TIP3 13055 17.426 -12.043 26.965 1.00 0.00 WAT +ATOM 45476 OH2 TIP3 13056 28.067 -10.803 24.171 1.00 0.00 WAT +ATOM 45477 H1 TIP3 13056 27.094 -10.718 24.220 1.00 0.00 WAT +ATOM 45478 H2 TIP3 13056 28.298 -9.928 23.810 1.00 0.00 WAT +ATOM 45479 OH2 TIP3 13057 28.400 -21.876 25.726 1.00 0.00 WAT +ATOM 45480 H1 TIP3 13057 27.614 -21.522 25.272 1.00 0.00 WAT +ATOM 45481 H2 TIP3 13057 29.102 -21.742 25.067 1.00 0.00 WAT +ATOM 45482 OH2 TIP3 13058 21.524 -24.234 22.779 1.00 0.00 WAT +ATOM 45483 H1 TIP3 13058 21.293 -25.180 22.716 1.00 0.00 WAT +ATOM 45484 H2 TIP3 13058 20.697 -23.854 23.144 1.00 0.00 WAT +ATOM 45485 OH2 TIP3 13059 26.549 -8.897 20.953 1.00 0.00 WAT +ATOM 45486 H1 TIP3 13059 26.814 -9.672 20.427 1.00 0.00 WAT +ATOM 45487 H2 TIP3 13059 26.632 -8.178 20.315 1.00 0.00 WAT +ATOM 45488 OH2 TIP3 13060 27.960 -10.926 19.254 1.00 0.00 WAT +ATOM 45489 H1 TIP3 13060 27.503 -11.398 18.536 1.00 0.00 WAT +ATOM 45490 H2 TIP3 13060 27.826 -11.549 19.994 1.00 0.00 WAT +ATOM 45491 OH2 TIP3 13061 29.353 -12.190 27.860 1.00 0.00 WAT +ATOM 45492 H1 TIP3 13061 29.238 -12.850 27.152 1.00 0.00 WAT +ATOM 45493 H2 TIP3 13061 29.471 -11.364 27.358 1.00 0.00 WAT +ATOM 45494 OH2 TIP3 13062 23.463 -15.233 17.525 1.00 0.00 WAT +ATOM 45495 H1 TIP3 13062 22.939 -14.565 17.036 1.00 0.00 WAT +ATOM 45496 H2 TIP3 13062 24.260 -15.251 16.966 1.00 0.00 WAT +ATOM 45497 OH2 TIP3 13063 23.909 -17.325 14.843 1.00 0.00 WAT +ATOM 45498 H1 TIP3 13063 24.594 -16.727 15.190 1.00 0.00 WAT +ATOM 45499 H2 TIP3 13063 24.312 -17.584 14.006 1.00 0.00 WAT +ATOM 45500 OH2 TIP3 13064 31.137 -15.996 25.775 1.00 0.00 WAT +ATOM 45501 H1 TIP3 13064 30.387 -15.379 25.887 1.00 0.00 WAT +ATOM 45502 H2 TIP3 13064 31.570 -15.628 24.984 1.00 0.00 WAT +ATOM 45503 OH2 TIP3 13065 27.168 -15.257 18.672 1.00 0.00 WAT +ATOM 45504 H1 TIP3 13065 26.457 -15.058 19.320 1.00 0.00 WAT +ATOM 45505 H2 TIP3 13065 27.709 -15.887 19.177 1.00 0.00 WAT +ATOM 45506 OH2 TIP3 13066 26.972 -16.758 27.467 1.00 0.00 WAT +ATOM 45507 H1 TIP3 13066 27.007 -15.951 28.006 1.00 0.00 WAT +ATOM 45508 H2 TIP3 13066 26.313 -16.473 26.810 1.00 0.00 WAT +ATOM 45509 OH2 TIP3 13067 20.048 -11.152 23.191 1.00 0.00 WAT +ATOM 45510 H1 TIP3 13067 20.000 -11.359 22.248 1.00 0.00 WAT +ATOM 45511 H2 TIP3 13067 20.873 -11.593 23.471 1.00 0.00 WAT +ATOM 45512 OH2 TIP3 13068 19.352 -15.665 23.860 1.00 0.00 WAT +ATOM 45513 H1 TIP3 13068 20.005 -15.565 23.155 1.00 0.00 WAT +ATOM 45514 H2 TIP3 13068 19.687 -15.051 24.545 1.00 0.00 WAT +ATOM 45515 OH2 TIP3 13069 25.289 -10.211 24.483 1.00 0.00 WAT +ATOM 45516 H1 TIP3 13069 25.275 -9.532 25.179 1.00 0.00 WAT +ATOM 45517 H2 TIP3 13069 25.024 -11.021 24.953 1.00 0.00 WAT +ATOM 45518 OH2 TIP3 13070 20.153 -11.385 28.721 1.00 0.00 WAT +ATOM 45519 H1 TIP3 13070 19.645 -10.726 29.228 1.00 0.00 WAT +ATOM 45520 H2 TIP3 13070 19.498 -11.648 28.047 1.00 0.00 WAT +ATOM 45521 OH2 TIP3 13071 26.063 -15.864 16.138 1.00 0.00 WAT +ATOM 45522 H1 TIP3 13071 26.584 -15.520 16.887 1.00 0.00 WAT +ATOM 45523 H2 TIP3 13071 26.458 -15.362 15.383 1.00 0.00 WAT +ATOM 45524 OH2 TIP3 13072 17.081 -14.984 27.834 1.00 0.00 WAT +ATOM 45525 H1 TIP3 13072 17.133 -14.418 28.626 1.00 0.00 WAT +ATOM 45526 H2 TIP3 13072 16.120 -15.129 27.770 1.00 0.00 WAT +ATOM 45527 OH2 TIP3 13073 23.588 -9.241 19.667 1.00 0.00 WAT +ATOM 45528 H1 TIP3 13073 23.993 -8.838 20.439 1.00 0.00 WAT +ATOM 45529 H2 TIP3 13073 23.115 -8.491 19.267 1.00 0.00 WAT +ATOM 45530 OH2 TIP3 13074 18.254 -9.208 29.553 1.00 0.00 WAT +ATOM 45531 H1 TIP3 13074 18.134 -9.177 28.588 1.00 0.00 WAT +ATOM 45532 H2 TIP3 13074 17.372 -9.474 29.877 1.00 0.00 WAT +ATOM 45533 OH2 TIP3 13075 29.533 -24.110 15.605 1.00 0.00 WAT +ATOM 45534 H1 TIP3 13075 28.637 -24.024 15.981 1.00 0.00 WAT +ATOM 45535 H2 TIP3 13075 29.855 -23.196 15.651 1.00 0.00 WAT +ATOM 45536 OH2 TIP3 13076 30.632 -9.893 14.625 1.00 0.00 WAT +ATOM 45537 H1 TIP3 13076 30.921 -8.963 14.608 1.00 0.00 WAT +ATOM 45538 H2 TIP3 13076 31.458 -10.388 14.562 1.00 0.00 WAT +ATOM 45539 OH2 TIP3 13077 13.725 -13.095 26.669 1.00 0.00 WAT +ATOM 45540 H1 TIP3 13077 13.255 -13.072 25.809 1.00 0.00 WAT +ATOM 45541 H2 TIP3 13077 13.825 -14.053 26.819 1.00 0.00 WAT +ATOM 45542 OH2 TIP3 13078 13.781 -10.143 23.588 1.00 0.00 WAT +ATOM 45543 H1 TIP3 13078 14.695 -10.452 23.657 1.00 0.00 WAT +ATOM 45544 H2 TIP3 13078 13.704 -9.575 24.367 1.00 0.00 WAT +ATOM 45545 OH2 TIP3 13079 32.134 -9.571 29.340 1.00 0.00 WAT +ATOM 45546 H1 TIP3 13079 32.025 -10.532 29.223 1.00 0.00 WAT +ATOM 45547 H2 TIP3 13079 31.237 -9.323 29.659 1.00 0.00 WAT +ATOM 45548 OH2 TIP3 13080 22.789 -10.334 28.163 1.00 0.00 WAT +ATOM 45549 H1 TIP3 13080 22.865 -9.518 28.699 1.00 0.00 WAT +ATOM 45550 H2 TIP3 13080 21.889 -10.639 28.398 1.00 0.00 WAT +ATOM 45551 OH2 TIP3 13081 22.990 -6.491 18.265 1.00 0.00 WAT +ATOM 45552 H1 TIP3 13081 22.982 -6.568 17.286 1.00 0.00 WAT +ATOM 45553 H2 TIP3 13081 23.247 -5.568 18.403 1.00 0.00 WAT +ATOM 45554 OH2 TIP3 13082 16.420 -6.923 19.795 1.00 0.00 WAT +ATOM 45555 H1 TIP3 13082 16.874 -7.396 20.518 1.00 0.00 WAT +ATOM 45556 H2 TIP3 13082 15.902 -7.689 19.449 1.00 0.00 WAT +ATOM 45557 OH2 TIP3 13083 26.477 -7.247 14.920 1.00 0.00 WAT +ATOM 45558 H1 TIP3 13083 26.780 -8.000 14.370 1.00 0.00 WAT +ATOM 45559 H2 TIP3 13083 26.334 -7.624 15.783 1.00 0.00 WAT +ATOM 45560 OH2 TIP3 13084 25.981 -7.406 18.452 1.00 0.00 WAT +ATOM 45561 H1 TIP3 13084 25.152 -7.077 18.062 1.00 0.00 WAT +ATOM 45562 H2 TIP3 13084 25.926 -8.340 18.235 1.00 0.00 WAT +ATOM 45563 OH2 TIP3 13085 28.920 -18.210 29.794 1.00 0.00 WAT +ATOM 45564 H1 TIP3 13085 28.445 -17.873 29.024 1.00 0.00 WAT +ATOM 45565 H2 TIP3 13085 29.077 -19.140 29.525 1.00 0.00 WAT +ATOM 45566 OH2 TIP3 13086 15.898 -11.548 27.902 1.00 0.00 WAT +ATOM 45567 H1 TIP3 13086 16.160 -12.011 28.724 1.00 0.00 WAT +ATOM 45568 H2 TIP3 13086 15.153 -12.087 27.576 1.00 0.00 WAT +ATOM 45569 OH2 TIP3 13087 19.097 -23.075 23.677 1.00 0.00 WAT +ATOM 45570 H1 TIP3 13087 18.276 -23.152 23.158 1.00 0.00 WAT +ATOM 45571 H2 TIP3 13087 18.843 -22.361 24.284 1.00 0.00 WAT +ATOM 45572 OH2 TIP3 13088 23.465 -23.510 27.320 1.00 0.00 WAT +ATOM 45573 H1 TIP3 13088 23.983 -24.030 27.964 1.00 0.00 WAT +ATOM 45574 H2 TIP3 13088 22.557 -23.844 27.448 1.00 0.00 WAT +ATOM 45575 OH2 TIP3 13089 26.573 -19.748 27.777 1.00 0.00 WAT +ATOM 45576 H1 TIP3 13089 26.091 -19.918 28.605 1.00 0.00 WAT +ATOM 45577 H2 TIP3 13089 26.590 -18.780 27.720 1.00 0.00 WAT +ATOM 45578 OH2 TIP3 13090 27.732 -14.927 14.110 1.00 0.00 WAT +ATOM 45579 H1 TIP3 13090 27.329 -14.923 13.219 1.00 0.00 WAT +ATOM 45580 H2 TIP3 13090 28.554 -14.440 13.967 1.00 0.00 WAT +ATOM 45581 OH2 TIP3 13091 23.300 -21.043 14.597 1.00 0.00 WAT +ATOM 45582 H1 TIP3 13091 22.769 -21.138 15.399 1.00 0.00 WAT +ATOM 45583 H2 TIP3 13091 22.843 -21.662 14.003 1.00 0.00 WAT +ATOM 45584 OH2 TIP3 13092 18.948 -18.296 25.082 1.00 0.00 WAT +ATOM 45585 H1 TIP3 13092 18.386 -18.206 25.871 1.00 0.00 WAT +ATOM 45586 H2 TIP3 13092 19.005 -17.375 24.758 1.00 0.00 WAT +ATOM 45587 OH2 TIP3 13093 18.822 -17.929 19.721 1.00 0.00 WAT +ATOM 45588 H1 TIP3 13093 17.887 -18.210 19.684 1.00 0.00 WAT +ATOM 45589 H2 TIP3 13093 19.180 -18.429 18.949 1.00 0.00 WAT +ATOM 45590 OH2 TIP3 13094 24.505 -17.600 18.748 1.00 0.00 WAT +ATOM 45591 H1 TIP3 13094 24.070 -16.828 18.334 1.00 0.00 WAT +ATOM 45592 H2 TIP3 13094 25.176 -17.815 18.076 1.00 0.00 WAT +ATOM 45593 OH2 TIP3 13095 23.685 -17.446 30.109 1.00 0.00 WAT +ATOM 45594 H1 TIP3 13095 23.189 -18.214 30.459 1.00 0.00 WAT +ATOM 45595 H2 TIP3 13095 24.566 -17.585 30.505 1.00 0.00 WAT +ATOM 45596 OH2 TIP3 13096 25.317 -18.246 21.531 1.00 0.00 WAT +ATOM 45597 H1 TIP3 13096 25.047 -17.689 20.773 1.00 0.00 WAT +ATOM 45598 H2 TIP3 13096 25.546 -19.067 21.050 1.00 0.00 WAT +ATOM 45599 OH2 TIP3 13097 16.294 -18.117 26.909 1.00 0.00 WAT +ATOM 45600 H1 TIP3 13097 16.580 -17.818 27.780 1.00 0.00 WAT +ATOM 45601 H2 TIP3 13097 15.942 -19.001 27.112 1.00 0.00 WAT +ATOM 45602 OH2 TIP3 13098 19.720 -20.549 13.505 1.00 0.00 WAT +ATOM 45603 H1 TIP3 13098 19.321 -20.935 14.309 1.00 0.00 WAT +ATOM 45604 H2 TIP3 13098 18.939 -20.346 12.972 1.00 0.00 WAT +ATOM 45605 OH2 TIP3 13099 13.125 -20.692 20.585 1.00 0.00 WAT +ATOM 45606 H1 TIP3 13099 13.753 -20.722 21.330 1.00 0.00 WAT +ATOM 45607 H2 TIP3 13099 13.632 -21.047 19.839 1.00 0.00 WAT +ATOM 45608 OH2 TIP3 13100 14.696 -20.169 16.320 1.00 0.00 WAT +ATOM 45609 H1 TIP3 13100 15.207 -19.715 15.613 1.00 0.00 WAT +ATOM 45610 H2 TIP3 13100 13.992 -19.515 16.456 1.00 0.00 WAT +ATOM 45611 OH2 TIP3 13101 24.448 -16.580 25.971 1.00 0.00 WAT +ATOM 45612 H1 TIP3 13101 24.896 -17.307 25.479 1.00 0.00 WAT +ATOM 45613 H2 TIP3 13101 24.131 -17.053 26.754 1.00 0.00 WAT +ATOM 45614 OH2 TIP3 13102 21.659 -20.616 21.002 1.00 0.00 WAT +ATOM 45615 H1 TIP3 13102 20.719 -20.721 21.224 1.00 0.00 WAT +ATOM 45616 H2 TIP3 13102 22.085 -20.834 21.850 1.00 0.00 WAT +ATOM 45617 OH2 TIP3 13103 16.244 -19.376 19.655 1.00 0.00 WAT +ATOM 45618 H1 TIP3 13103 15.410 -19.104 19.228 1.00 0.00 WAT +ATOM 45619 H2 TIP3 13103 16.480 -20.184 19.165 1.00 0.00 WAT +ATOM 45620 OH2 TIP3 13104 19.899 -18.921 17.403 1.00 0.00 WAT +ATOM 45621 H1 TIP3 13104 20.862 -19.022 17.312 1.00 0.00 WAT +ATOM 45622 H2 TIP3 13104 19.618 -18.560 16.536 1.00 0.00 WAT +ATOM 45623 OH2 TIP3 13105 26.050 -21.477 23.995 1.00 0.00 WAT +ATOM 45624 H1 TIP3 13105 25.439 -21.480 24.765 1.00 0.00 WAT +ATOM 45625 H2 TIP3 13105 25.452 -21.823 23.311 1.00 0.00 WAT +ATOM 45626 OH2 TIP3 13106 18.444 -17.843 15.163 1.00 0.00 WAT +ATOM 45627 H1 TIP3 13106 17.723 -18.050 14.546 1.00 0.00 WAT +ATOM 45628 H2 TIP3 13106 19.165 -17.623 14.540 1.00 0.00 WAT +ATOM 45629 OH2 TIP3 13107 29.050 -5.712 30.685 1.00 0.00 WAT +ATOM 45630 H1 TIP3 13107 29.301 -5.256 29.868 1.00 0.00 WAT +ATOM 45631 H2 TIP3 13107 29.745 -5.422 31.302 1.00 0.00 WAT +ATOM 45632 OH2 TIP3 13108 16.968 -13.086 30.098 1.00 0.00 WAT +ATOM 45633 H1 TIP3 13108 17.639 -13.004 30.809 1.00 0.00 WAT +ATOM 45634 H2 TIP3 13108 16.159 -13.116 30.646 1.00 0.00 WAT +ATOM 45635 OH2 TIP3 13109 22.585 -17.990 22.739 1.00 0.00 WAT +ATOM 45636 H1 TIP3 13109 23.323 -18.439 22.300 1.00 0.00 WAT +ATOM 45637 H2 TIP3 13109 22.420 -18.587 23.499 1.00 0.00 WAT +ATOM 45638 OH2 TIP3 13110 18.010 -21.668 19.026 1.00 0.00 WAT +ATOM 45639 H1 TIP3 13110 17.410 -22.426 19.131 1.00 0.00 WAT +ATOM 45640 H2 TIP3 13110 18.770 -22.071 18.584 1.00 0.00 WAT +ATOM 45641 OH2 TIP3 13111 21.684 -19.567 25.013 1.00 0.00 WAT +ATOM 45642 H1 TIP3 13111 20.876 -19.036 25.104 1.00 0.00 WAT +ATOM 45643 H2 TIP3 13111 22.168 -19.374 25.842 1.00 0.00 WAT +ATOM 45644 OH2 TIP3 13112 21.702 -13.202 16.857 1.00 0.00 WAT +ATOM 45645 H1 TIP3 13112 20.897 -13.627 16.519 1.00 0.00 WAT +ATOM 45646 H2 TIP3 13112 21.525 -13.074 17.800 1.00 0.00 WAT +ATOM 45647 OH2 TIP3 13113 29.022 -14.078 25.694 1.00 0.00 WAT +ATOM 45648 H1 TIP3 13113 29.496 -13.534 25.030 1.00 0.00 WAT +ATOM 45649 H2 TIP3 13113 28.156 -14.201 25.259 1.00 0.00 WAT +ATOM 45650 OH2 TIP3 13114 25.954 -20.393 14.750 1.00 0.00 WAT +ATOM 45651 H1 TIP3 13114 24.972 -20.421 14.680 1.00 0.00 WAT +ATOM 45652 H2 TIP3 13114 26.100 -19.640 15.356 1.00 0.00 WAT +ATOM 45653 OH2 TIP3 13115 23.434 -13.223 28.276 1.00 0.00 WAT +ATOM 45654 H1 TIP3 13115 23.147 -13.562 29.136 1.00 0.00 WAT +ATOM 45655 H2 TIP3 13115 23.121 -12.306 28.299 1.00 0.00 WAT +ATOM 45656 OH2 TIP3 13116 26.618 -18.579 16.834 1.00 0.00 WAT +ATOM 45657 H1 TIP3 13116 27.525 -18.709 17.166 1.00 0.00 WAT +ATOM 45658 H2 TIP3 13116 26.663 -17.703 16.402 1.00 0.00 WAT +ATOM 45659 OH2 TIP3 13117 17.091 -13.935 22.554 1.00 0.00 WAT +ATOM 45660 H1 TIP3 13117 17.897 -14.084 22.062 1.00 0.00 WAT +ATOM 45661 H2 TIP3 13117 17.029 -14.744 23.087 1.00 0.00 WAT +ATOM 45662 OH2 TIP3 13118 24.276 -11.950 16.147 1.00 0.00 WAT +ATOM 45663 H1 TIP3 13118 23.907 -11.046 16.108 1.00 0.00 WAT +ATOM 45664 H2 TIP3 13118 23.524 -12.456 15.806 1.00 0.00 WAT +ATOM 45665 OH2 TIP3 13119 14.197 -15.580 28.047 1.00 0.00 WAT +ATOM 45666 H1 TIP3 13119 14.340 -16.023 28.908 1.00 0.00 WAT +ATOM 45667 H2 TIP3 13119 13.570 -16.171 27.599 1.00 0.00 WAT +ATOM 45668 OH2 TIP3 13120 21.166 -16.055 30.024 1.00 0.00 WAT +ATOM 45669 H1 TIP3 13120 20.827 -16.327 29.155 1.00 0.00 WAT +ATOM 45670 H2 TIP3 13120 22.092 -16.355 29.960 1.00 0.00 WAT +ATOM 45671 OH2 TIP3 13121 25.700 -10.601 27.748 1.00 0.00 WAT +ATOM 45672 H1 TIP3 13121 24.730 -10.554 27.700 1.00 0.00 WAT +ATOM 45673 H2 TIP3 13121 25.860 -10.395 28.684 1.00 0.00 WAT +ATOM 45674 OH2 TIP3 13122 31.234 -18.608 16.532 1.00 0.00 WAT +ATOM 45675 H1 TIP3 13122 30.677 -18.785 15.746 1.00 0.00 WAT +ATOM 45676 H2 TIP3 13122 31.358 -17.648 16.404 1.00 0.00 WAT +ATOM 45677 OH2 TIP3 13123 31.677 -12.540 29.324 1.00 0.00 WAT +ATOM 45678 H1 TIP3 13123 30.733 -12.335 29.156 1.00 0.00 WAT +ATOM 45679 H2 TIP3 13123 31.994 -12.717 28.418 1.00 0.00 WAT +ATOM 45680 OH2 TIP3 13124 26.685 -14.638 23.996 1.00 0.00 WAT +ATOM 45681 H1 TIP3 13124 25.750 -14.793 23.773 1.00 0.00 WAT +ATOM 45682 H2 TIP3 13124 27.114 -15.372 23.514 1.00 0.00 WAT +ATOM 45683 OH2 TIP3 13125 19.286 -10.596 20.189 1.00 0.00 WAT +ATOM 45684 H1 TIP3 13125 19.744 -9.798 19.871 1.00 0.00 WAT +ATOM 45685 H2 TIP3 13125 18.453 -10.510 19.702 1.00 0.00 WAT +ATOM 45686 OH2 TIP3 13126 15.205 -15.713 14.851 1.00 0.00 WAT +ATOM 45687 H1 TIP3 13126 15.862 -15.049 15.116 1.00 0.00 WAT +ATOM 45688 H2 TIP3 13126 14.394 -15.209 14.970 1.00 0.00 WAT +ATOM 45689 OH2 TIP3 13127 20.656 -13.263 19.635 1.00 0.00 WAT +ATOM 45690 H1 TIP3 13127 20.922 -12.324 19.619 1.00 0.00 WAT +ATOM 45691 H2 TIP3 13127 19.997 -13.204 20.334 1.00 0.00 WAT +ATOM 45692 OH2 TIP3 13128 21.305 -8.617 26.014 1.00 0.00 WAT +ATOM 45693 H1 TIP3 13128 21.859 -7.866 25.744 1.00 0.00 WAT +ATOM 45694 H2 TIP3 13128 21.911 -9.105 26.594 1.00 0.00 WAT +ATOM 45695 OH2 TIP3 13129 19.682 -7.687 19.330 1.00 0.00 WAT +ATOM 45696 H1 TIP3 13129 18.750 -7.551 19.139 1.00 0.00 WAT +ATOM 45697 H2 TIP3 13129 20.005 -6.778 19.457 1.00 0.00 WAT +ATOM 45698 OH2 TIP3 13130 24.706 -12.868 25.588 1.00 0.00 WAT +ATOM 45699 H1 TIP3 13130 24.415 -13.138 26.479 1.00 0.00 WAT +ATOM 45700 H2 TIP3 13130 25.450 -13.473 25.433 1.00 0.00 WAT +ATOM 45701 OH2 TIP3 13131 26.999 -11.609 14.526 1.00 0.00 WAT +ATOM 45702 H1 TIP3 13131 27.235 -12.103 15.332 1.00 0.00 WAT +ATOM 45703 H2 TIP3 13131 26.031 -11.680 14.561 1.00 0.00 WAT +ATOM 45704 OH2 TIP3 13132 27.673 -8.315 27.964 1.00 0.00 WAT +ATOM 45705 H1 TIP3 13132 26.900 -8.776 27.581 1.00 0.00 WAT +ATOM 45706 H2 TIP3 13132 27.726 -7.506 27.425 1.00 0.00 WAT +ATOM 45707 OH2 TIP3 13133 31.646 -7.266 15.094 1.00 0.00 WAT +ATOM 45708 H1 TIP3 13133 32.294 -6.631 14.747 1.00 0.00 WAT +ATOM 45709 H2 TIP3 13133 30.855 -6.696 15.119 1.00 0.00 WAT +ATOM 45710 OH2 TIP3 13134 15.503 -20.922 27.664 1.00 0.00 WAT +ATOM 45711 H1 TIP3 13134 14.595 -20.659 27.414 1.00 0.00 WAT +ATOM 45712 H2 TIP3 13134 15.349 -21.794 28.070 1.00 0.00 WAT +ATOM 45713 OH2 TIP3 13135 27.864 -12.911 16.922 1.00 0.00 WAT +ATOM 45714 H1 TIP3 13135 27.631 -13.673 17.479 1.00 0.00 WAT +ATOM 45715 H2 TIP3 13135 28.830 -12.870 16.991 1.00 0.00 WAT +ATOM 45716 OH2 TIP3 13136 15.290 -9.150 26.036 1.00 0.00 WAT +ATOM 45717 H1 TIP3 13136 15.546 -10.069 26.201 1.00 0.00 WAT +ATOM 45718 H2 TIP3 13136 15.477 -8.759 26.898 1.00 0.00 WAT +ATOM 45719 OH2 TIP3 13137 21.220 -10.494 13.063 1.00 0.00 WAT +ATOM 45720 H1 TIP3 13137 21.663 -11.134 12.457 1.00 0.00 WAT +ATOM 45721 H2 TIP3 13137 20.581 -11.055 13.521 1.00 0.00 WAT +ATOM 45722 OH2 TIP3 13138 19.726 -10.858 16.610 1.00 0.00 WAT +ATOM 45723 H1 TIP3 13138 20.331 -11.534 16.294 1.00 0.00 WAT +ATOM 45724 H2 TIP3 13138 19.694 -10.239 15.865 1.00 0.00 WAT +ATOM 45725 OH2 TIP3 13139 16.868 -13.558 16.521 1.00 0.00 WAT +ATOM 45726 H1 TIP3 13139 15.973 -13.221 16.649 1.00 0.00 WAT +ATOM 45727 H2 TIP3 13139 17.162 -12.865 15.906 1.00 0.00 WAT +ATOM 45728 OH2 TIP3 13140 24.494 -21.072 26.216 1.00 0.00 WAT +ATOM 45729 H1 TIP3 13140 25.132 -20.796 26.898 1.00 0.00 WAT +ATOM 45730 H2 TIP3 13140 24.012 -21.802 26.651 1.00 0.00 WAT +ATOM 45731 OH2 TIP3 13141 25.103 -21.642 17.484 1.00 0.00 WAT +ATOM 45732 H1 TIP3 13141 25.249 -21.120 16.678 1.00 0.00 WAT +ATOM 45733 H2 TIP3 13141 25.569 -21.116 18.154 1.00 0.00 WAT +ATOM 45734 OH2 TIP3 13142 22.973 -9.436 16.428 1.00 0.00 WAT +ATOM 45735 H1 TIP3 13142 22.089 -9.057 16.524 1.00 0.00 WAT +ATOM 45736 H2 TIP3 13142 23.331 -8.871 15.724 1.00 0.00 WAT +ATOM 45737 OH2 TIP3 13143 22.519 -19.650 18.422 1.00 0.00 WAT +ATOM 45738 H1 TIP3 13143 23.291 -19.064 18.547 1.00 0.00 WAT +ATOM 45739 H2 TIP3 13143 22.243 -19.821 19.343 1.00 0.00 WAT +ATOM 45740 OH2 TIP3 13144 22.895 -18.740 27.574 1.00 0.00 WAT +ATOM 45741 H1 TIP3 13144 22.944 -18.233 28.400 1.00 0.00 WAT +ATOM 45742 H2 TIP3 13144 23.435 -19.512 27.793 1.00 0.00 WAT +ATOM 45743 OH2 TIP3 13145 23.108 -22.636 19.364 1.00 0.00 WAT +ATOM 45744 H1 TIP3 13145 22.918 -21.940 20.021 1.00 0.00 WAT +ATOM 45745 H2 TIP3 13145 23.833 -22.224 18.852 1.00 0.00 WAT +ATOM 45746 OH2 TIP3 13146 20.085 -7.800 16.080 1.00 0.00 WAT +ATOM 45747 H1 TIP3 13146 20.631 -7.030 15.904 1.00 0.00 WAT +ATOM 45748 H2 TIP3 13146 20.029 -7.841 17.041 1.00 0.00 WAT +ATOM 45749 OH2 TIP3 13147 18.826 -21.648 15.891 1.00 0.00 WAT +ATOM 45750 H1 TIP3 13147 18.819 -20.888 16.490 1.00 0.00 WAT +ATOM 45751 H2 TIP3 13147 19.651 -22.103 16.152 1.00 0.00 WAT +ATOM 45752 OH2 TIP3 13148 29.322 -20.648 28.462 1.00 0.00 WAT +ATOM 45753 H1 TIP3 13148 28.377 -20.844 28.504 1.00 0.00 WAT +ATOM 45754 H2 TIP3 13148 29.534 -21.110 27.640 1.00 0.00 WAT +ATOM 45755 OH2 TIP3 13149 27.681 -16.897 22.465 1.00 0.00 WAT +ATOM 45756 H1 TIP3 13149 26.845 -17.344 22.234 1.00 0.00 WAT +ATOM 45757 H2 TIP3 13149 28.156 -17.602 22.960 1.00 0.00 WAT +ATOM 45758 OH2 TIP3 13150 15.325 -18.555 14.151 1.00 0.00 WAT +ATOM 45759 H1 TIP3 13150 15.423 -17.590 14.264 1.00 0.00 WAT +ATOM 45760 H2 TIP3 13150 14.669 -18.600 13.432 1.00 0.00 WAT +ATOM 45761 OH2 TIP3 13151 28.713 -8.036 23.819 1.00 0.00 WAT +ATOM 45762 H1 TIP3 13151 28.524 -7.189 23.376 1.00 0.00 WAT +ATOM 45763 H2 TIP3 13151 29.604 -7.872 24.161 1.00 0.00 WAT +ATOM 45764 OH2 TIP3 13152 16.323 -23.530 22.859 1.00 0.00 WAT +ATOM 45765 H1 TIP3 13152 16.130 -23.546 21.898 1.00 0.00 WAT +ATOM 45766 H2 TIP3 13152 15.966 -24.387 23.159 1.00 0.00 WAT +ATOM 45767 OH2 TIP3 13153 15.320 -9.388 18.892 1.00 0.00 WAT +ATOM 45768 H1 TIP3 13153 14.373 -9.587 18.880 1.00 0.00 WAT +ATOM 45769 H2 TIP3 13153 15.567 -9.656 17.995 1.00 0.00 WAT +ATOM 45770 OH2 TIP3 13154 14.609 -7.123 30.270 1.00 0.00 WAT +ATOM 45771 H1 TIP3 13154 15.180 -7.403 31.011 1.00 0.00 WAT +ATOM 45772 H2 TIP3 13154 14.214 -7.976 29.999 1.00 0.00 WAT +ATOM 45773 OH2 TIP3 13155 19.288 -8.056 32.059 1.00 0.00 WAT +ATOM 45774 H1 TIP3 13155 19.979 -8.698 32.284 1.00 0.00 WAT +ATOM 45775 H2 TIP3 13155 19.061 -8.333 31.157 1.00 0.00 WAT +ATOM 45776 OH2 TIP3 13156 23.407 -8.832 13.457 1.00 0.00 WAT +ATOM 45777 H1 TIP3 13156 22.594 -9.364 13.316 1.00 0.00 WAT +ATOM 45778 H2 TIP3 13156 23.967 -9.260 12.784 1.00 0.00 WAT +ATOM 45779 OH2 TIP3 13157 25.787 -9.805 30.631 1.00 0.00 WAT +ATOM 45780 H1 TIP3 13157 25.382 -10.601 31.020 1.00 0.00 WAT +ATOM 45781 H2 TIP3 13157 26.462 -9.575 31.296 1.00 0.00 WAT +ATOM 45782 OH2 TIP3 13158 28.006 -8.941 13.465 1.00 0.00 WAT +ATOM 45783 H1 TIP3 13158 28.270 -9.782 13.856 1.00 0.00 WAT +ATOM 45784 H2 TIP3 13158 28.677 -8.746 12.803 1.00 0.00 WAT +ATOM 45785 OH2 TIP3 13159 14.559 -13.492 31.399 1.00 0.00 WAT +ATOM 45786 H1 TIP3 13159 14.641 -14.403 31.072 1.00 0.00 WAT +ATOM 45787 H2 TIP3 13159 13.784 -13.185 30.889 1.00 0.00 WAT +ATOM 45788 OH2 TIP3 13160 19.350 -13.085 13.688 1.00 0.00 WAT +ATOM 45789 H1 TIP3 13160 18.707 -13.786 13.809 1.00 0.00 WAT +ATOM 45790 H2 TIP3 13160 19.453 -13.071 12.731 1.00 0.00 WAT +ATOM 45791 OH2 TIP3 13161 21.192 -13.300 30.738 1.00 0.00 WAT +ATOM 45792 H1 TIP3 13161 20.872 -12.979 29.880 1.00 0.00 WAT +ATOM 45793 H2 TIP3 13161 21.258 -14.268 30.596 1.00 0.00 WAT +ATOM 45794 OH2 TIP3 13162 26.555 -13.689 28.115 1.00 0.00 WAT +ATOM 45795 H1 TIP3 13162 27.333 -13.133 27.958 1.00 0.00 WAT +ATOM 45796 H2 TIP3 13162 25.847 -13.026 28.131 1.00 0.00 WAT +ATOM 45797 OH2 TIP3 13163 15.420 -16.353 30.575 1.00 0.00 WAT +ATOM 45798 H1 TIP3 13163 16.146 -16.999 30.583 1.00 0.00 WAT +ATOM 45799 H2 TIP3 13163 15.363 -16.141 31.521 1.00 0.00 WAT +ATOM 45800 OH2 TIP3 13164 19.844 -15.355 16.296 1.00 0.00 WAT +ATOM 45801 H1 TIP3 13164 18.919 -15.603 16.128 1.00 0.00 WAT +ATOM 45802 H2 TIP3 13164 20.191 -15.498 15.389 1.00 0.00 WAT +ATOM 45803 OH2 TIP3 13165 19.060 -17.240 27.992 1.00 0.00 WAT +ATOM 45804 H1 TIP3 13165 18.535 -16.449 28.214 1.00 0.00 WAT +ATOM 45805 H2 TIP3 13165 19.734 -16.870 27.395 1.00 0.00 WAT +ATOM 45806 OH2 TIP3 13166 20.781 -16.931 13.883 1.00 0.00 WAT +ATOM 45807 H1 TIP3 13166 20.727 -16.694 12.930 1.00 0.00 WAT +ATOM 45808 H2 TIP3 13166 21.741 -16.921 14.021 1.00 0.00 WAT +ATOM 45809 OH2 TIP3 13167 24.381 -14.517 31.554 1.00 0.00 WAT +ATOM 45810 H1 TIP3 13167 25.287 -14.712 31.272 1.00 0.00 WAT +ATOM 45811 H2 TIP3 13167 24.121 -15.357 31.959 1.00 0.00 WAT +ATOM 45812 OH2 TIP3 13168 30.454 -14.463 13.277 1.00 0.00 WAT +ATOM 45813 H1 TIP3 13168 30.110 -14.828 12.450 1.00 0.00 WAT +ATOM 45814 H2 TIP3 13168 30.234 -13.512 13.152 1.00 0.00 WAT +ATOM 45815 OH2 TIP3 13169 19.671 -19.927 29.148 1.00 0.00 WAT +ATOM 45816 H1 TIP3 13169 19.734 -20.593 28.440 1.00 0.00 WAT +ATOM 45817 H2 TIP3 13169 19.454 -19.125 28.642 1.00 0.00 WAT +ATOM 45818 OH2 TIP3 13170 20.002 -21.460 26.597 1.00 0.00 WAT +ATOM 45819 H1 TIP3 13170 20.514 -20.951 25.943 1.00 0.00 WAT +ATOM 45820 H2 TIP3 13170 19.089 -21.436 26.239 1.00 0.00 WAT +ATOM 45821 OH2 TIP3 13171 21.530 -16.025 26.990 1.00 0.00 WAT +ATOM 45822 H1 TIP3 13171 22.381 -16.116 26.535 1.00 0.00 WAT +ATOM 45823 H2 TIP3 13171 21.248 -15.136 26.698 1.00 0.00 WAT +ATOM 45824 OH2 TIP3 13172 26.135 -18.098 31.788 1.00 0.00 WAT +ATOM 45825 H1 TIP3 13172 26.356 -19.034 31.913 1.00 0.00 WAT +ATOM 45826 H2 TIP3 13172 27.020 -17.704 31.734 1.00 0.00 WAT +ATOM 45827 OH2 TIP3 13173 27.094 -15.294 30.273 1.00 0.00 WAT +ATOM 45828 H1 TIP3 13173 26.765 -14.683 29.582 1.00 0.00 WAT +ATOM 45829 H2 TIP3 13173 27.977 -15.501 29.911 1.00 0.00 WAT +ATOM 45830 OH2 TIP3 13174 17.882 -18.089 30.948 1.00 0.00 WAT +ATOM 45831 H1 TIP3 13174 17.341 -18.899 30.950 1.00 0.00 WAT +ATOM 45832 H2 TIP3 13174 18.686 -18.393 30.501 1.00 0.00 WAT +ATOM 45833 OH2 TIP3 13175 20.715 -24.138 26.959 1.00 0.00 WAT +ATOM 45834 H1 TIP3 13175 20.546 -23.186 26.792 1.00 0.00 WAT +ATOM 45835 H2 TIP3 13175 20.018 -24.553 26.415 1.00 0.00 WAT +ATOM 45836 OH2 TIP3 13176 21.978 -19.563 30.745 1.00 0.00 WAT +ATOM 45837 H1 TIP3 13176 21.629 -19.783 31.626 1.00 0.00 WAT +ATOM 45838 H2 TIP3 13176 21.185 -19.761 30.203 1.00 0.00 WAT +ATOM 45839 OH2 TIP3 13177 24.516 -20.524 29.607 1.00 0.00 WAT +ATOM 45840 H1 TIP3 13177 23.641 -20.479 30.032 1.00 0.00 WAT +ATOM 45841 H2 TIP3 13177 24.995 -21.141 30.197 1.00 0.00 WAT +ATOM 45842 OH2 TIP3 13178 26.294 -22.010 31.317 1.00 0.00 WAT +ATOM 45843 H1 TIP3 13178 26.256 -22.971 31.484 1.00 0.00 WAT +ATOM 45844 H2 TIP3 13178 26.223 -21.625 32.212 1.00 0.00 WAT +ATOM 45845 OH2 TIP3 13179 16.557 -20.633 30.783 1.00 0.00 WAT +ATOM 45846 H1 TIP3 13179 16.454 -21.333 30.119 1.00 0.00 WAT +ATOM 45847 H2 TIP3 13179 16.311 -21.102 31.603 1.00 0.00 WAT +ATOM 45848 OH2 TIP3 13180 20.556 -24.659 29.770 1.00 0.00 WAT +ATOM 45849 H1 TIP3 13180 21.169 -25.411 29.811 1.00 0.00 WAT +ATOM 45850 H2 TIP3 13180 20.523 -24.501 28.806 1.00 0.00 WAT +ATOM 45851 OH2 TIP3 13181 21.487 -22.797 31.643 1.00 0.00 WAT +ATOM 45852 H1 TIP3 13181 21.194 -23.375 30.910 1.00 0.00 WAT +ATOM 45853 H2 TIP3 13181 20.813 -22.099 31.642 1.00 0.00 WAT +ATOM 45854 OH2 TIP3 13182 13.427 -6.153 19.154 1.00 0.00 WAT +ATOM 45855 H1 TIP3 13182 12.617 -6.460 18.710 1.00 0.00 WAT +ATOM 45856 H2 TIP3 13182 13.474 -6.816 19.880 1.00 0.00 WAT +ATOM 45857 OH2 TIP3 13183 13.853 -7.998 21.342 1.00 0.00 WAT +ATOM 45858 H1 TIP3 13183 13.585 -8.919 21.482 1.00 0.00 WAT +ATOM 45859 H2 TIP3 13183 14.154 -7.777 22.232 1.00 0.00 WAT +ATOM 45860 OH2 TIP3 13184 31.445 -6.824 24.348 1.00 0.00 WAT +ATOM 45861 H1 TIP3 13184 31.539 -6.908 25.311 1.00 0.00 WAT +ATOM 45862 H2 TIP3 13184 32.351 -6.615 24.081 1.00 0.00 WAT +ATOM 45863 OH2 TIP3 13185 31.323 -7.421 27.216 1.00 0.00 WAT +ATOM 45864 H1 TIP3 13185 30.780 -8.175 26.917 1.00 0.00 WAT +ATOM 45865 H2 TIP3 13185 31.848 -7.860 27.905 1.00 0.00 WAT +ATOM 45866 OH2 TIP3 13186 29.313 -11.994 31.528 1.00 0.00 WAT +ATOM 45867 H1 TIP3 13186 28.435 -11.929 31.941 1.00 0.00 WAT +ATOM 45868 H2 TIP3 13186 29.769 -11.205 31.870 1.00 0.00 WAT +ATOM 45869 OH2 TIP3 13187 30.838 -13.044 17.318 1.00 0.00 WAT +ATOM 45870 H1 TIP3 13187 31.750 -12.806 17.551 1.00 0.00 WAT +ATOM 45871 H2 TIP3 13187 30.640 -13.720 17.990 1.00 0.00 WAT +ATOM 45872 OH2 TIP3 13188 31.173 -15.121 19.244 1.00 0.00 WAT +ATOM 45873 H1 TIP3 13188 30.475 -15.687 19.634 1.00 0.00 WAT +ATOM 45874 H2 TIP3 13188 31.831 -15.056 19.962 1.00 0.00 WAT +ATOM 45875 OH2 TIP3 13189 30.893 -12.647 24.216 1.00 0.00 WAT +ATOM 45876 H1 TIP3 13189 31.548 -13.120 23.681 1.00 0.00 WAT +ATOM 45877 H2 TIP3 13189 31.001 -11.728 23.928 1.00 0.00 WAT +ATOM 45878 OH2 TIP3 13190 29.614 -9.690 26.434 1.00 0.00 WAT +ATOM 45879 H1 TIP3 13190 28.896 -9.321 26.981 1.00 0.00 WAT +ATOM 45880 H2 TIP3 13190 29.119 -10.087 25.690 1.00 0.00 WAT +ATOM 45881 OH2 TIP3 13191 31.544 -15.638 15.794 1.00 0.00 WAT +ATOM 45882 H1 TIP3 13191 30.976 -15.432 15.026 1.00 0.00 WAT +ATOM 45883 H2 TIP3 13191 31.305 -14.914 16.392 1.00 0.00 WAT +ATOM 45884 OH2 TIP3 13192 29.856 -18.169 14.072 1.00 0.00 WAT +ATOM 45885 H1 TIP3 13192 29.832 -17.531 13.349 1.00 0.00 WAT +ATOM 45886 H2 TIP3 13192 29.483 -18.968 13.646 1.00 0.00 WAT +ATOM 45887 OH2 TIP3 13193 29.141 -17.002 20.077 1.00 0.00 WAT +ATOM 45888 H1 TIP3 13193 29.033 -17.951 19.895 1.00 0.00 WAT +ATOM 45889 H2 TIP3 13193 28.721 -16.915 20.958 1.00 0.00 WAT +ATOM 45890 OH2 TIP3 13194 13.972 -14.786 23.742 1.00 0.00 WAT +ATOM 45891 H1 TIP3 13194 14.185 -14.748 22.791 1.00 0.00 WAT +ATOM 45892 H2 TIP3 13194 14.845 -15.017 24.121 1.00 0.00 WAT +ATOM 45893 OH2 TIP3 13195 29.749 -15.100 29.220 1.00 0.00 WAT +ATOM 45894 H1 TIP3 13195 30.462 -15.747 29.389 1.00 0.00 WAT +ATOM 45895 H2 TIP3 13195 30.234 -14.277 29.081 1.00 0.00 WAT +ATOM 45896 OH2 TIP3 13196 31.332 -17.084 30.307 1.00 0.00 WAT +ATOM 45897 H1 TIP3 13196 30.491 -17.572 30.171 1.00 0.00 WAT +ATOM 45898 H2 TIP3 13196 31.956 -17.829 30.370 1.00 0.00 WAT +ATOM 45899 OH2 TIP3 13197 29.159 -20.772 13.295 1.00 0.00 WAT +ATOM 45900 H1 TIP3 13197 29.703 -21.294 13.907 1.00 0.00 WAT +ATOM 45901 H2 TIP3 13197 28.344 -21.295 13.204 1.00 0.00 WAT +ATOM 45902 OH2 TIP3 13198 28.996 -19.501 18.275 1.00 0.00 WAT +ATOM 45903 H1 TIP3 13198 29.210 -20.458 18.296 1.00 0.00 WAT +ATOM 45904 H2 TIP3 13198 29.790 -19.152 17.834 1.00 0.00 WAT +ATOM 45905 OH2 TIP3 13199 29.214 -18.889 23.676 1.00 0.00 WAT +ATOM 45906 H1 TIP3 13199 30.189 -18.815 23.689 1.00 0.00 WAT +ATOM 45907 H2 TIP3 13199 29.039 -18.901 24.636 1.00 0.00 WAT +ATOM 45908 OH2 TIP3 13200 29.366 -18.187 26.456 1.00 0.00 WAT +ATOM 45909 H1 TIP3 13200 28.508 -17.840 26.763 1.00 0.00 WAT +ATOM 45910 H2 TIP3 13200 29.877 -17.374 26.303 1.00 0.00 WAT +ATOM 45911 OH2 TIP3 13201 13.869 -19.429 30.171 1.00 0.00 WAT +ATOM 45912 H1 TIP3 13201 14.802 -19.699 30.206 1.00 0.00 WAT +ATOM 45913 H2 TIP3 13201 13.416 -20.288 30.238 1.00 0.00 WAT +ATOM 45914 OH2 TIP3 13202 29.448 -22.295 18.225 1.00 0.00 WAT +ATOM 45915 H1 TIP3 13202 29.531 -22.639 19.132 1.00 0.00 WAT +ATOM 45916 H2 TIP3 13202 28.653 -22.780 17.916 1.00 0.00 WAT +ATOM 45917 OH2 TIP3 13203 14.637 -21.097 22.962 1.00 0.00 WAT +ATOM 45918 H1 TIP3 13203 15.085 -21.956 23.047 1.00 0.00 WAT +ATOM 45919 H2 TIP3 13203 15.310 -20.499 23.337 1.00 0.00 WAT +ATOM 45920 OH2 TIP3 13204 13.196 -18.438 24.041 1.00 0.00 WAT +ATOM 45921 H1 TIP3 13204 13.726 -18.454 23.230 1.00 0.00 WAT +ATOM 45922 H2 TIP3 13204 13.526 -17.636 24.466 1.00 0.00 WAT +ATOM 45923 OH2 TIP3 13205 31.416 -21.824 14.914 1.00 0.00 WAT +ATOM 45924 H1 TIP3 13205 31.707 -22.617 14.431 1.00 0.00 WAT +ATOM 45925 H2 TIP3 13205 32.229 -21.298 14.958 1.00 0.00 WAT +ATOM 45926 OH2 TIP3 13206 13.670 -22.083 18.070 1.00 0.00 WAT +ATOM 45927 H1 TIP3 13206 12.718 -22.044 17.871 1.00 0.00 WAT +ATOM 45928 H2 TIP3 13206 14.055 -21.471 17.410 1.00 0.00 WAT +ATOM 45929 OH2 TIP3 13207 28.867 -6.355 19.888 1.00 0.00 WAT +ATOM 45930 H1 TIP3 13207 28.586 -7.177 19.472 1.00 0.00 WAT +ATOM 45931 H2 TIP3 13207 28.949 -6.585 20.820 1.00 0.00 WAT +ATOM 45932 OH2 TIP3 13208 13.715 -23.201 26.225 1.00 0.00 WAT +ATOM 45933 H1 TIP3 13208 13.002 -23.468 26.821 1.00 0.00 WAT +ATOM 45934 H2 TIP3 13208 13.220 -22.674 25.569 1.00 0.00 WAT +ATOM 45935 OH2 TIP3 13209 15.704 -10.098 30.894 1.00 0.00 WAT +ATOM 45936 H1 TIP3 13209 14.969 -10.129 30.264 1.00 0.00 WAT +ATOM 45937 H2 TIP3 13209 15.248 -10.153 31.745 1.00 0.00 WAT +ATOM 45938 OH2 TIP3 13210 18.547 -9.135 26.577 1.00 0.00 WAT +ATOM 45939 H1 TIP3 13210 18.223 -8.288 26.227 1.00 0.00 WAT +ATOM 45940 H2 TIP3 13210 19.503 -9.034 26.398 1.00 0.00 WAT +ATOM 45941 OH2 TIP3 13211 23.058 -7.823 29.582 1.00 0.00 WAT +ATOM 45942 H1 TIP3 13211 23.174 -7.991 30.533 1.00 0.00 WAT +ATOM 45943 H2 TIP3 13211 23.896 -7.374 29.357 1.00 0.00 WAT +ATOM 45944 OH2 TIP3 13212 25.374 -6.342 28.805 1.00 0.00 WAT +ATOM 45945 H1 TIP3 13212 26.028 -7.034 28.629 1.00 0.00 WAT +ATOM 45946 H2 TIP3 13212 25.646 -6.048 29.697 1.00 0.00 WAT +ATOM 45947 OH2 TIP3 13213 15.936 -6.146 26.912 1.00 0.00 WAT +ATOM 45948 H1 TIP3 13213 15.304 -5.546 26.475 1.00 0.00 WAT +ATOM 45949 H2 TIP3 13213 15.582 -6.147 27.810 1.00 0.00 WAT +ATOM 45950 OH2 TIP3 13214 18.446 -6.374 25.500 1.00 0.00 WAT +ATOM 45951 H1 TIP3 13214 17.569 -6.230 25.909 1.00 0.00 WAT +ATOM 45952 H2 TIP3 13214 18.458 -5.702 24.796 1.00 0.00 WAT +ATOM 45953 OH2 TIP3 13215 23.172 -6.400 25.012 1.00 0.00 WAT +ATOM 45954 H1 TIP3 13215 22.756 -5.962 24.247 1.00 0.00 WAT +ATOM 45955 H2 TIP3 13215 23.219 -5.664 25.652 1.00 0.00 WAT +ATOM 45956 OH2 TIP3 13216 25.497 -7.676 25.916 1.00 0.00 WAT +ATOM 45957 H1 TIP3 13216 24.636 -7.339 25.603 1.00 0.00 WAT +ATOM 45958 H2 TIP3 13216 26.016 -6.862 25.949 1.00 0.00 WAT +ATOM 45959 OH2 TIP3 13217 28.061 -5.940 26.137 1.00 0.00 WAT +ATOM 45960 H1 TIP3 13217 27.952 -4.999 25.909 1.00 0.00 WAT +ATOM 45961 H2 TIP3 13217 28.280 -6.317 25.271 1.00 0.00 WAT +ATOM 45962 OH2 TIP3 13218 15.557 -7.267 23.861 1.00 0.00 WAT +ATOM 45963 H1 TIP3 13218 15.497 -7.801 24.682 1.00 0.00 WAT +ATOM 45964 H2 TIP3 13218 16.245 -7.771 23.373 1.00 0.00 WAT +ATOM 45965 OH2 TIP3 13219 17.474 -8.573 22.340 1.00 0.00 WAT +ATOM 45966 H1 TIP3 13219 17.327 -9.530 22.476 1.00 0.00 WAT +ATOM 45967 H2 TIP3 13219 18.413 -8.478 22.574 1.00 0.00 WAT +ATOM 45968 OH2 TIP3 13220 20.299 -8.124 23.182 1.00 0.00 WAT +ATOM 45969 H1 TIP3 13220 20.455 -9.047 22.926 1.00 0.00 WAT +ATOM 45970 H2 TIP3 13220 20.323 -8.198 24.149 1.00 0.00 WAT +ATOM 45971 OH2 TIP3 13221 23.592 -22.264 22.469 1.00 0.00 WAT +ATOM 45972 H1 TIP3 13221 22.910 -22.946 22.628 1.00 0.00 WAT +ATOM 45973 H2 TIP3 13221 24.201 -22.730 21.875 1.00 0.00 WAT +ATOM 45974 OH2 TIP3 13222 28.560 -24.256 22.928 1.00 0.00 WAT +ATOM 45975 H1 TIP3 13222 29.310 -23.795 22.518 1.00 0.00 WAT +ATOM 45976 H2 TIP3 13222 27.807 -23.957 22.391 1.00 0.00 WAT +ATOM 45977 OH2 TIP3 13223 30.640 -23.143 20.808 1.00 0.00 WAT +ATOM 45978 H1 TIP3 13223 31.349 -23.564 20.288 1.00 0.00 WAT +ATOM 45979 H2 TIP3 13223 30.948 -22.228 20.902 1.00 0.00 WAT +ATOM 45980 OH2 TIP3 13224 15.956 -23.557 20.045 1.00 0.00 WAT +ATOM 45981 H1 TIP3 13224 15.096 -23.671 19.593 1.00 0.00 WAT +ATOM 45982 H2 TIP3 13224 16.368 -24.426 19.880 1.00 0.00 WAT +ATOM 45983 OH2 TIP3 13225 14.781 -24.072 15.907 1.00 0.00 WAT +ATOM 45984 H1 TIP3 13225 15.277 -23.413 15.377 1.00 0.00 WAT +ATOM 45985 H2 TIP3 13225 14.347 -23.507 16.566 1.00 0.00 WAT +ATOM 45986 OH2 TIP3 13226 20.427 -23.725 19.912 1.00 0.00 WAT +ATOM 45987 H1 TIP3 13226 21.346 -23.440 19.776 1.00 0.00 WAT +ATOM 45988 H2 TIP3 13226 20.400 -23.828 20.869 1.00 0.00 WAT +ATOM 45989 OH2 TIP3 13227 26.017 -23.682 21.316 1.00 0.00 WAT +ATOM 45990 H1 TIP3 13227 26.273 -23.862 20.401 1.00 0.00 WAT +ATOM 45991 H2 TIP3 13227 25.629 -24.536 21.582 1.00 0.00 WAT +ATOM 45992 OH2 TIP3 13228 27.129 -23.683 17.312 1.00 0.00 WAT +ATOM 45993 H1 TIP3 13228 26.304 -23.180 17.165 1.00 0.00 WAT +ATOM 45994 H2 TIP3 13228 26.776 -24.580 17.444 1.00 0.00 WAT +ATOM 45995 OH2 TIP3 13229 16.446 -22.293 14.396 1.00 0.00 WAT +ATOM 45996 H1 TIP3 13229 17.062 -22.751 13.798 1.00 0.00 WAT +ATOM 45997 H2 TIP3 13229 17.068 -21.906 15.040 1.00 0.00 WAT +ATOM 45998 OH2 TIP3 13230 21.558 -22.053 16.981 1.00 0.00 WAT +ATOM 45999 H1 TIP3 13230 21.915 -22.641 17.663 1.00 0.00 WAT +ATOM 46000 H2 TIP3 13230 21.799 -21.190 17.353 1.00 0.00 WAT +ATOM 46001 OH2 TIP3 13231 23.319 -6.729 15.513 1.00 0.00 WAT +ATOM 46002 H1 TIP3 13231 24.076 -6.155 15.303 1.00 0.00 WAT +ATOM 46003 H2 TIP3 13231 23.179 -7.149 14.643 1.00 0.00 WAT +ATOM 46004 OH2 TIP3 13232 30.182 -7.933 17.600 1.00 0.00 WAT +ATOM 46005 H1 TIP3 13232 29.735 -8.393 16.870 1.00 0.00 WAT +ATOM 46006 H2 TIP3 13232 30.007 -7.015 17.317 1.00 0.00 WAT +ATOM 46007 OH2 TIP3 13233 15.748 -23.316 29.566 1.00 0.00 WAT +ATOM 46008 H1 TIP3 13233 15.347 -24.132 29.917 1.00 0.00 WAT +ATOM 46009 H2 TIP3 13233 16.674 -23.440 29.828 1.00 0.00 WAT +ATOM 46010 OH2 TIP3 13234 18.143 -23.926 31.306 1.00 0.00 WAT +ATOM 46011 H1 TIP3 13234 18.962 -24.273 30.897 1.00 0.00 WAT +ATOM 46012 H2 TIP3 13234 17.785 -24.729 31.715 1.00 0.00 WAT +ATOM 46013 OH2 TIP3 13235 26.552 -24.815 31.401 1.00 0.00 WAT +ATOM 46014 H1 TIP3 13235 26.573 -25.198 32.298 1.00 0.00 WAT +ATOM 46015 H2 TIP3 13235 27.490 -24.754 31.186 1.00 0.00 WAT +ATOM 46016 OH2 TIP3 13236 29.658 -8.465 30.121 1.00 0.00 WAT +ATOM 46017 H1 TIP3 13236 28.886 -8.688 29.572 1.00 0.00 WAT +ATOM 46018 H2 TIP3 13236 29.436 -7.554 30.389 1.00 0.00 WAT +ATOM 46019 OH2 TIP3 13237 42.061 -15.612 23.348 1.00 0.00 WAT +ATOM 46020 H1 TIP3 13237 42.804 -15.491 23.970 1.00 0.00 WAT +ATOM 46021 H2 TIP3 13237 42.540 -15.763 22.527 1.00 0.00 WAT +ATOM 46022 OH2 TIP3 13238 35.335 -15.709 24.946 1.00 0.00 WAT +ATOM 46023 H1 TIP3 13238 35.177 -16.474 25.531 1.00 0.00 WAT +ATOM 46024 H2 TIP3 13238 35.847 -15.143 25.546 1.00 0.00 WAT +ATOM 46025 OH2 TIP3 13239 35.805 -11.196 23.427 1.00 0.00 WAT +ATOM 46026 H1 TIP3 13239 35.613 -12.123 23.188 1.00 0.00 WAT +ATOM 46027 H2 TIP3 13239 36.686 -11.296 23.821 1.00 0.00 WAT +ATOM 46028 OH2 TIP3 13240 32.887 -17.714 18.939 1.00 0.00 WAT +ATOM 46029 H1 TIP3 13240 32.383 -16.889 19.010 1.00 0.00 WAT +ATOM 46030 H2 TIP3 13240 32.202 -18.320 18.624 1.00 0.00 WAT +ATOM 46031 OH2 TIP3 13241 33.575 -15.292 20.811 1.00 0.00 WAT +ATOM 46032 H1 TIP3 13241 33.699 -16.149 21.266 1.00 0.00 WAT +ATOM 46033 H2 TIP3 13241 34.404 -15.218 20.328 1.00 0.00 WAT +ATOM 46034 OH2 TIP3 13242 41.228 -12.855 23.986 1.00 0.00 WAT +ATOM 46035 H1 TIP3 13242 41.562 -13.638 23.514 1.00 0.00 WAT +ATOM 46036 H2 TIP3 13242 42.005 -12.605 24.504 1.00 0.00 WAT +ATOM 46037 OH2 TIP3 13243 37.481 -20.356 21.409 1.00 0.00 WAT +ATOM 46038 H1 TIP3 13243 37.169 -19.599 20.901 1.00 0.00 WAT +ATOM 46039 H2 TIP3 13243 37.196 -21.073 20.816 1.00 0.00 WAT +ATOM 46040 OH2 TIP3 13244 34.166 -17.768 22.001 1.00 0.00 WAT +ATOM 46041 H1 TIP3 13244 34.719 -18.320 22.582 1.00 0.00 WAT +ATOM 46042 H2 TIP3 13244 34.104 -18.316 21.203 1.00 0.00 WAT +ATOM 46043 OH2 TIP3 13245 36.259 -21.729 25.657 1.00 0.00 WAT +ATOM 46044 H1 TIP3 13245 35.812 -21.201 24.983 1.00 0.00 WAT +ATOM 46045 H2 TIP3 13245 35.611 -21.662 26.392 1.00 0.00 WAT +ATOM 46046 OH2 TIP3 13246 39.050 -13.942 25.695 1.00 0.00 WAT +ATOM 46047 H1 TIP3 13246 38.373 -13.328 26.048 1.00 0.00 WAT +ATOM 46048 H2 TIP3 13246 39.771 -13.329 25.474 1.00 0.00 WAT +ATOM 46049 OH2 TIP3 13247 35.842 -19.650 23.583 1.00 0.00 WAT +ATOM 46050 H1 TIP3 13247 36.475 -19.125 24.122 1.00 0.00 WAT +ATOM 46051 H2 TIP3 13247 36.459 -20.045 22.934 1.00 0.00 WAT +ATOM 46052 OH2 TIP3 13248 37.121 -11.992 26.450 1.00 0.00 WAT +ATOM 46053 H1 TIP3 13248 37.142 -11.034 26.260 1.00 0.00 WAT +ATOM 46054 H2 TIP3 13248 36.288 -12.048 26.959 1.00 0.00 WAT +ATOM 46055 OH2 TIP3 13249 33.353 -11.709 17.612 1.00 0.00 WAT +ATOM 46056 H1 TIP3 13249 33.267 -11.737 16.637 1.00 0.00 WAT +ATOM 46057 H2 TIP3 13249 33.958 -10.971 17.737 1.00 0.00 WAT +ATOM 46058 OH2 TIP3 13250 40.438 -24.253 22.815 1.00 0.00 WAT +ATOM 46059 H1 TIP3 13250 40.161 -25.188 22.817 1.00 0.00 WAT +ATOM 46060 H2 TIP3 13250 39.641 -23.817 23.181 1.00 0.00 WAT +ATOM 46061 OH2 TIP3 13251 42.638 -15.417 17.474 1.00 0.00 WAT +ATOM 46062 H1 TIP3 13251 41.997 -14.711 17.275 1.00 0.00 WAT +ATOM 46063 H2 TIP3 13251 43.344 -15.204 16.861 1.00 0.00 WAT +ATOM 46064 OH2 TIP3 13252 42.879 -16.968 14.649 1.00 0.00 WAT +ATOM 46065 H1 TIP3 13252 43.677 -16.972 15.204 1.00 0.00 WAT +ATOM 46066 H2 TIP3 13252 42.999 -17.745 14.093 1.00 0.00 WAT +ATOM 46067 OH2 TIP3 13253 38.968 -11.149 23.167 1.00 0.00 WAT +ATOM 46068 H1 TIP3 13253 38.972 -11.524 22.282 1.00 0.00 WAT +ATOM 46069 H2 TIP3 13253 39.754 -11.568 23.567 1.00 0.00 WAT +ATOM 46070 OH2 TIP3 13254 38.359 -15.577 23.400 1.00 0.00 WAT +ATOM 46071 H1 TIP3 13254 39.290 -15.648 23.153 1.00 0.00 WAT +ATOM 46072 H2 TIP3 13254 38.444 -15.140 24.270 1.00 0.00 WAT +ATOM 46073 OH2 TIP3 13255 39.041 -11.350 28.693 1.00 0.00 WAT +ATOM 46074 H1 TIP3 13255 38.564 -10.735 29.274 1.00 0.00 WAT +ATOM 46075 H2 TIP3 13255 38.349 -11.613 28.064 1.00 0.00 WAT +ATOM 46076 OH2 TIP3 13256 35.893 -14.934 27.771 1.00 0.00 WAT +ATOM 46077 H1 TIP3 13256 35.996 -14.417 28.592 1.00 0.00 WAT +ATOM 46078 H2 TIP3 13256 34.945 -15.155 27.809 1.00 0.00 WAT +ATOM 46079 OH2 TIP3 13257 42.439 -9.296 19.633 1.00 0.00 WAT +ATOM 46080 H1 TIP3 13257 42.983 -8.831 20.292 1.00 0.00 WAT +ATOM 46081 H2 TIP3 13257 42.004 -8.562 19.181 1.00 0.00 WAT +ATOM 46082 OH2 TIP3 13258 37.076 -9.167 29.553 1.00 0.00 WAT +ATOM 46083 H1 TIP3 13258 36.964 -9.223 28.591 1.00 0.00 WAT +ATOM 46084 H2 TIP3 13258 36.216 -9.478 29.899 1.00 0.00 WAT +ATOM 46085 OH2 TIP3 13259 36.786 -15.820 18.287 1.00 0.00 WAT +ATOM 46086 H1 TIP3 13259 36.560 -15.001 17.807 1.00 0.00 WAT +ATOM 46087 H2 TIP3 13259 36.058 -16.395 18.001 1.00 0.00 WAT +ATOM 46088 OH2 TIP3 13260 32.566 -13.112 26.652 1.00 0.00 WAT +ATOM 46089 H1 TIP3 13260 32.088 -13.166 25.803 1.00 0.00 WAT +ATOM 46090 H2 TIP3 13260 32.692 -14.054 26.877 1.00 0.00 WAT +ATOM 46091 OH2 TIP3 13261 32.659 -10.099 23.509 1.00 0.00 WAT +ATOM 46092 H1 TIP3 13261 33.541 -10.466 23.678 1.00 0.00 WAT +ATOM 46093 H2 TIP3 13261 32.522 -9.586 24.321 1.00 0.00 WAT +ATOM 46094 OH2 TIP3 13262 41.685 -10.297 28.141 1.00 0.00 WAT +ATOM 46095 H1 TIP3 13262 41.812 -9.477 28.638 1.00 0.00 WAT +ATOM 46096 H2 TIP3 13262 40.825 -10.629 28.459 1.00 0.00 WAT +ATOM 46097 OH2 TIP3 13263 41.786 -6.514 18.104 1.00 0.00 WAT +ATOM 46098 H1 TIP3 13263 42.066 -6.492 17.177 1.00 0.00 WAT +ATOM 46099 H2 TIP3 13263 42.082 -5.665 18.455 1.00 0.00 WAT +ATOM 46100 OH2 TIP3 13264 35.549 -7.649 19.686 1.00 0.00 WAT +ATOM 46101 H1 TIP3 13264 35.785 -8.010 20.566 1.00 0.00 WAT +ATOM 46102 H2 TIP3 13264 34.679 -8.040 19.539 1.00 0.00 WAT +ATOM 46103 OH2 TIP3 13265 34.771 -11.562 27.886 1.00 0.00 WAT +ATOM 46104 H1 TIP3 13265 35.024 -11.974 28.738 1.00 0.00 WAT +ATOM 46105 H2 TIP3 13265 34.023 -12.115 27.597 1.00 0.00 WAT +ATOM 46106 OH2 TIP3 13266 37.973 -23.017 23.604 1.00 0.00 WAT +ATOM 46107 H1 TIP3 13266 37.113 -23.158 23.169 1.00 0.00 WAT +ATOM 46108 H2 TIP3 13266 37.720 -22.377 24.289 1.00 0.00 WAT +ATOM 46109 OH2 TIP3 13267 42.334 -23.725 27.942 1.00 0.00 WAT +ATOM 46110 H1 TIP3 13267 42.445 -24.447 28.579 1.00 0.00 WAT +ATOM 46111 H2 TIP3 13267 41.421 -23.900 27.629 1.00 0.00 WAT +ATOM 46112 OH2 TIP3 13268 42.272 -20.905 14.651 1.00 0.00 WAT +ATOM 46113 H1 TIP3 13268 41.692 -21.143 15.387 1.00 0.00 WAT +ATOM 46114 H2 TIP3 13268 42.043 -21.595 14.011 1.00 0.00 WAT +ATOM 46115 OH2 TIP3 13269 37.743 -18.306 25.075 1.00 0.00 WAT +ATOM 46116 H1 TIP3 13269 37.237 -18.223 25.903 1.00 0.00 WAT +ATOM 46117 H2 TIP3 13269 37.809 -17.388 24.774 1.00 0.00 WAT +ATOM 46118 OH2 TIP3 13270 42.744 -17.739 19.391 1.00 0.00 WAT +ATOM 46119 H1 TIP3 13270 42.742 -16.792 19.166 1.00 0.00 WAT +ATOM 46120 H2 TIP3 13270 43.627 -17.877 19.764 1.00 0.00 WAT +ATOM 46121 OH2 TIP3 13271 42.472 -17.411 30.185 1.00 0.00 WAT +ATOM 46122 H1 TIP3 13271 41.949 -18.213 30.409 1.00 0.00 WAT +ATOM 46123 H2 TIP3 13271 43.369 -17.785 30.260 1.00 0.00 WAT +ATOM 46124 OH2 TIP3 13272 35.157 -18.114 26.893 1.00 0.00 WAT +ATOM 46125 H1 TIP3 13272 35.423 -17.838 27.779 1.00 0.00 WAT +ATOM 46126 H2 TIP3 13272 34.776 -18.992 27.078 1.00 0.00 WAT +ATOM 46127 OH2 TIP3 13273 38.576 -20.397 13.486 1.00 0.00 WAT +ATOM 46128 H1 TIP3 13273 38.236 -20.849 14.287 1.00 0.00 WAT +ATOM 46129 H2 TIP3 13273 37.832 -20.465 12.877 1.00 0.00 WAT +ATOM 46130 OH2 TIP3 13274 32.180 -20.493 20.510 1.00 0.00 WAT +ATOM 46131 H1 TIP3 13274 32.656 -20.738 21.327 1.00 0.00 WAT +ATOM 46132 H2 TIP3 13274 32.530 -21.095 19.835 1.00 0.00 WAT +ATOM 46133 OH2 TIP3 13275 33.616 -20.205 16.239 1.00 0.00 WAT +ATOM 46134 H1 TIP3 13275 34.115 -19.695 15.573 1.00 0.00 WAT +ATOM 46135 H2 TIP3 13275 32.892 -19.588 16.454 1.00 0.00 WAT +ATOM 46136 OH2 TIP3 13276 43.471 -16.910 26.286 1.00 0.00 WAT +ATOM 46137 H1 TIP3 13276 43.703 -17.598 25.632 1.00 0.00 WAT +ATOM 46138 H2 TIP3 13276 42.747 -17.363 26.746 1.00 0.00 WAT +ATOM 46139 OH2 TIP3 13277 40.477 -20.823 20.983 1.00 0.00 WAT +ATOM 46140 H1 TIP3 13277 39.553 -20.770 21.281 1.00 0.00 WAT +ATOM 46141 H2 TIP3 13277 40.938 -20.611 21.814 1.00 0.00 WAT +ATOM 46142 OH2 TIP3 13278 35.482 -19.113 19.555 1.00 0.00 WAT +ATOM 46143 H1 TIP3 13278 34.586 -18.890 19.238 1.00 0.00 WAT +ATOM 46144 H2 TIP3 13278 35.619 -20.000 19.175 1.00 0.00 WAT +ATOM 46145 OH2 TIP3 13279 38.722 -18.449 17.725 1.00 0.00 WAT +ATOM 46146 H1 TIP3 13279 39.511 -18.996 17.552 1.00 0.00 WAT +ATOM 46147 H2 TIP3 13279 38.275 -18.425 16.851 1.00 0.00 WAT +ATOM 46148 OH2 TIP3 13280 37.323 -17.927 15.265 1.00 0.00 WAT +ATOM 46149 H1 TIP3 13280 36.607 -18.133 14.644 1.00 0.00 WAT +ATOM 46150 H2 TIP3 13280 38.068 -17.733 14.668 1.00 0.00 WAT +ATOM 46151 OH2 TIP3 13281 35.835 -13.074 30.104 1.00 0.00 WAT +ATOM 46152 H1 TIP3 13281 36.508 -12.997 30.814 1.00 0.00 WAT +ATOM 46153 H2 TIP3 13281 35.032 -13.117 30.661 1.00 0.00 WAT +ATOM 46154 OH2 TIP3 13282 41.165 -18.334 22.296 1.00 0.00 WAT +ATOM 46155 H1 TIP3 13282 42.049 -18.473 21.942 1.00 0.00 WAT +ATOM 46156 H2 TIP3 13282 41.367 -18.319 23.245 1.00 0.00 WAT +ATOM 46157 OH2 TIP3 13283 36.836 -21.682 18.965 1.00 0.00 WAT +ATOM 46158 H1 TIP3 13283 36.203 -22.396 19.177 1.00 0.00 WAT +ATOM 46159 H2 TIP3 13283 37.621 -22.189 18.712 1.00 0.00 WAT +ATOM 46160 OH2 TIP3 13284 40.474 -19.742 25.112 1.00 0.00 WAT +ATOM 46161 H1 TIP3 13284 39.781 -19.074 24.998 1.00 0.00 WAT +ATOM 46162 H2 TIP3 13284 41.036 -19.339 25.798 1.00 0.00 WAT +ATOM 46163 OH2 TIP3 13285 40.691 -13.387 17.035 1.00 0.00 WAT +ATOM 46164 H1 TIP3 13285 39.928 -13.838 16.615 1.00 0.00 WAT +ATOM 46165 H2 TIP3 13285 40.424 -13.355 17.976 1.00 0.00 WAT +ATOM 46166 OH2 TIP3 13286 41.879 -13.391 28.177 1.00 0.00 WAT +ATOM 46167 H1 TIP3 13286 41.901 -13.530 29.129 1.00 0.00 WAT +ATOM 46168 H2 TIP3 13286 42.156 -12.465 28.080 1.00 0.00 WAT +ATOM 46169 OH2 TIP3 13287 35.964 -13.946 22.526 1.00 0.00 WAT +ATOM 46170 H1 TIP3 13287 36.849 -14.098 22.186 1.00 0.00 WAT +ATOM 46171 H2 TIP3 13287 35.878 -14.696 23.139 1.00 0.00 WAT +ATOM 46172 OH2 TIP3 13288 42.861 -11.975 15.978 1.00 0.00 WAT +ATOM 46173 H1 TIP3 13288 42.603 -11.071 16.250 1.00 0.00 WAT +ATOM 46174 H2 TIP3 13288 42.092 -12.485 16.302 1.00 0.00 WAT +ATOM 46175 OH2 TIP3 13289 33.054 -15.579 28.040 1.00 0.00 WAT +ATOM 46176 H1 TIP3 13289 33.191 -15.997 28.916 1.00 0.00 WAT +ATOM 46177 H2 TIP3 13289 32.424 -16.188 27.620 1.00 0.00 WAT +ATOM 46178 OH2 TIP3 13290 40.018 -16.075 30.054 1.00 0.00 WAT +ATOM 46179 H1 TIP3 13290 39.716 -16.384 29.187 1.00 0.00 WAT +ATOM 46180 H2 TIP3 13290 40.964 -16.318 30.019 1.00 0.00 WAT +ATOM 46181 OH2 TIP3 13291 38.132 -10.614 20.009 1.00 0.00 WAT +ATOM 46182 H1 TIP3 13291 38.655 -9.796 19.960 1.00 0.00 WAT +ATOM 46183 H2 TIP3 13291 37.260 -10.279 19.783 1.00 0.00 WAT +ATOM 46184 OH2 TIP3 13292 34.217 -15.829 14.583 1.00 0.00 WAT +ATOM 46185 H1 TIP3 13292 34.749 -15.099 14.934 1.00 0.00 WAT +ATOM 46186 H2 TIP3 13292 33.313 -15.573 14.850 1.00 0.00 WAT +ATOM 46187 OH2 TIP3 13293 39.623 -13.181 19.684 1.00 0.00 WAT +ATOM 46188 H1 TIP3 13293 39.766 -12.228 19.802 1.00 0.00 WAT +ATOM 46189 H2 TIP3 13293 38.787 -13.285 20.142 1.00 0.00 WAT +ATOM 46190 OH2 TIP3 13294 40.197 -8.585 26.036 1.00 0.00 WAT +ATOM 46191 H1 TIP3 13294 40.807 -7.877 25.735 1.00 0.00 WAT +ATOM 46192 H2 TIP3 13294 40.802 -9.121 26.577 1.00 0.00 WAT +ATOM 46193 OH2 TIP3 13295 38.566 -7.669 19.274 1.00 0.00 WAT +ATOM 46194 H1 TIP3 13295 37.614 -7.506 19.324 1.00 0.00 WAT +ATOM 46195 H2 TIP3 13295 38.938 -6.797 19.510 1.00 0.00 WAT +ATOM 46196 OH2 TIP3 13296 34.355 -20.929 27.625 1.00 0.00 WAT +ATOM 46197 H1 TIP3 13296 33.425 -20.683 27.445 1.00 0.00 WAT +ATOM 46198 H2 TIP3 13296 34.244 -21.770 28.109 1.00 0.00 WAT +ATOM 46199 OH2 TIP3 13297 34.145 -9.193 26.056 1.00 0.00 WAT +ATOM 46200 H1 TIP3 13297 34.420 -10.095 26.282 1.00 0.00 WAT +ATOM 46201 H2 TIP3 13297 34.310 -8.754 26.901 1.00 0.00 WAT +ATOM 46202 OH2 TIP3 13298 39.921 -10.466 13.086 1.00 0.00 WAT +ATOM 46203 H1 TIP3 13298 40.306 -11.209 12.583 1.00 0.00 WAT +ATOM 46204 H2 TIP3 13298 39.588 -10.929 13.872 1.00 0.00 WAT +ATOM 46205 OH2 TIP3 13299 38.838 -11.065 15.851 1.00 0.00 WAT +ATOM 46206 H1 TIP3 13299 39.389 -11.529 16.494 1.00 0.00 WAT +ATOM 46207 H2 TIP3 13299 38.980 -10.128 16.101 1.00 0.00 WAT +ATOM 46208 OH2 TIP3 13300 35.669 -13.609 16.271 1.00 0.00 WAT +ATOM 46209 H1 TIP3 13300 34.905 -13.212 16.705 1.00 0.00 WAT +ATOM 46210 H2 TIP3 13300 36.091 -12.834 15.862 1.00 0.00 WAT +ATOM 46211 OH2 TIP3 13301 43.412 -20.629 26.701 1.00 0.00 WAT +ATOM 46212 H1 TIP3 13301 43.780 -21.402 27.130 1.00 0.00 WAT +ATOM 46213 H2 TIP3 13301 42.748 -21.019 26.113 1.00 0.00 WAT +ATOM 46214 OH2 TIP3 13302 41.654 -9.404 16.350 1.00 0.00 WAT +ATOM 46215 H1 TIP3 13302 40.890 -8.848 16.579 1.00 0.00 WAT +ATOM 46216 H2 TIP3 13302 42.125 -8.835 15.731 1.00 0.00 WAT +ATOM 46217 OH2 TIP3 13303 41.269 -19.778 18.413 1.00 0.00 WAT +ATOM 46218 H1 TIP3 13303 41.930 -19.083 18.638 1.00 0.00 WAT +ATOM 46219 H2 TIP3 13303 41.039 -20.043 19.325 1.00 0.00 WAT +ATOM 46220 OH2 TIP3 13304 41.693 -18.738 27.594 1.00 0.00 WAT +ATOM 46221 H1 TIP3 13304 41.817 -18.285 28.441 1.00 0.00 WAT +ATOM 46222 H2 TIP3 13304 42.369 -19.441 27.623 1.00 0.00 WAT +ATOM 46223 OH2 TIP3 13305 41.927 -22.681 19.558 1.00 0.00 WAT +ATOM 46224 H1 TIP3 13305 41.663 -21.932 20.140 1.00 0.00 WAT +ATOM 46225 H2 TIP3 13305 42.746 -22.339 19.159 1.00 0.00 WAT +ATOM 46226 OH2 TIP3 13306 38.900 -8.321 16.417 1.00 0.00 WAT +ATOM 46227 H1 TIP3 13306 38.907 -7.510 15.867 1.00 0.00 WAT +ATOM 46228 H2 TIP3 13306 38.831 -7.954 17.317 1.00 0.00 WAT +ATOM 46229 OH2 TIP3 13307 37.726 -21.535 15.845 1.00 0.00 WAT +ATOM 46230 H1 TIP3 13307 37.571 -20.913 16.567 1.00 0.00 WAT +ATOM 46231 H2 TIP3 13307 38.500 -22.040 16.159 1.00 0.00 WAT +ATOM 46232 OH2 TIP3 13308 36.083 -10.791 14.992 1.00 0.00 WAT +ATOM 46233 H1 TIP3 13308 36.822 -10.268 15.347 1.00 0.00 WAT +ATOM 46234 H2 TIP3 13308 36.548 -11.241 14.268 1.00 0.00 WAT +ATOM 46235 OH2 TIP3 13309 34.309 -18.506 13.998 1.00 0.00 WAT +ATOM 46236 H1 TIP3 13309 34.331 -17.540 14.179 1.00 0.00 WAT +ATOM 46237 H2 TIP3 13309 33.413 -18.610 13.649 1.00 0.00 WAT +ATOM 46238 OH2 TIP3 13310 35.191 -23.545 22.857 1.00 0.00 WAT +ATOM 46239 H1 TIP3 13310 34.962 -23.581 21.908 1.00 0.00 WAT +ATOM 46240 H2 TIP3 13310 34.837 -24.394 23.191 1.00 0.00 WAT +ATOM 46241 OH2 TIP3 13311 33.457 -7.116 30.268 1.00 0.00 WAT +ATOM 46242 H1 TIP3 13311 34.044 -7.382 31.002 1.00 0.00 WAT +ATOM 46243 H2 TIP3 13311 33.064 -7.976 30.022 1.00 0.00 WAT +ATOM 46244 OH2 TIP3 13312 38.205 -7.968 31.970 1.00 0.00 WAT +ATOM 46245 H1 TIP3 13312 38.756 -8.672 32.343 1.00 0.00 WAT +ATOM 46246 H2 TIP3 13312 37.894 -8.386 31.148 1.00 0.00 WAT +ATOM 46247 OH2 TIP3 13313 42.300 -8.820 13.416 1.00 0.00 WAT +ATOM 46248 H1 TIP3 13313 41.480 -9.356 13.409 1.00 0.00 WAT +ATOM 46249 H2 TIP3 13313 42.950 -9.525 13.256 1.00 0.00 WAT +ATOM 46250 OH2 TIP3 13314 33.424 -13.495 31.392 1.00 0.00 WAT +ATOM 46251 H1 TIP3 13314 33.503 -14.411 31.080 1.00 0.00 WAT +ATOM 46252 H2 TIP3 13314 32.641 -13.193 30.895 1.00 0.00 WAT +ATOM 46253 OH2 TIP3 13315 37.560 -13.112 13.352 1.00 0.00 WAT +ATOM 46254 H1 TIP3 13315 37.767 -13.680 14.108 1.00 0.00 WAT +ATOM 46255 H2 TIP3 13315 38.431 -13.059 12.912 1.00 0.00 WAT +ATOM 46256 OH2 TIP3 13316 40.078 -13.287 30.732 1.00 0.00 WAT +ATOM 46257 H1 TIP3 13316 39.815 -12.980 29.848 1.00 0.00 WAT +ATOM 46258 H2 TIP3 13316 40.171 -14.252 30.605 1.00 0.00 WAT +ATOM 46259 OH2 TIP3 13317 42.562 -11.742 12.986 1.00 0.00 WAT +ATOM 46260 H1 TIP3 13317 42.812 -11.622 13.919 1.00 0.00 WAT +ATOM 46261 H2 TIP3 13317 42.488 -12.708 12.935 1.00 0.00 WAT +ATOM 46262 OH2 TIP3 13318 34.313 -16.338 30.555 1.00 0.00 WAT +ATOM 46263 H1 TIP3 13318 35.024 -17.002 30.588 1.00 0.00 WAT +ATOM 46264 H2 TIP3 13318 34.221 -16.142 31.502 1.00 0.00 WAT +ATOM 46265 OH2 TIP3 13319 38.698 -15.031 15.813 1.00 0.00 WAT +ATOM 46266 H1 TIP3 13319 38.044 -15.584 16.257 1.00 0.00 WAT +ATOM 46267 H2 TIP3 13319 39.041 -15.651 15.138 1.00 0.00 WAT +ATOM 46268 OH2 TIP3 13320 37.934 -17.227 27.964 1.00 0.00 WAT +ATOM 46269 H1 TIP3 13320 37.430 -16.455 28.271 1.00 0.00 WAT +ATOM 46270 H2 TIP3 13320 38.572 -16.825 27.353 1.00 0.00 WAT +ATOM 46271 OH2 TIP3 13321 39.771 -16.933 14.018 1.00 0.00 WAT +ATOM 46272 H1 TIP3 13321 39.727 -16.961 13.048 1.00 0.00 WAT +ATOM 46273 H2 TIP3 13321 40.732 -16.890 14.168 1.00 0.00 WAT +ATOM 46274 OH2 TIP3 13322 42.807 -14.760 31.646 1.00 0.00 WAT +ATOM 46275 H1 TIP3 13322 43.576 -15.091 31.174 1.00 0.00 WAT +ATOM 46276 H2 TIP3 13322 42.666 -15.490 32.277 1.00 0.00 WAT +ATOM 46277 OH2 TIP3 13323 38.600 -19.910 29.170 1.00 0.00 WAT +ATOM 46278 H1 TIP3 13323 38.606 -20.587 28.471 1.00 0.00 WAT +ATOM 46279 H2 TIP3 13323 38.359 -19.113 28.669 1.00 0.00 WAT +ATOM 46280 OH2 TIP3 13324 38.872 -21.487 26.582 1.00 0.00 WAT +ATOM 46281 H1 TIP3 13324 39.363 -20.908 25.962 1.00 0.00 WAT +ATOM 46282 H2 TIP3 13324 37.951 -21.437 26.252 1.00 0.00 WAT +ATOM 46283 OH2 TIP3 13325 40.587 -16.095 26.859 1.00 0.00 WAT +ATOM 46284 H1 TIP3 13325 41.380 -16.093 26.307 1.00 0.00 WAT +ATOM 46285 H2 TIP3 13325 40.325 -15.164 26.811 1.00 0.00 WAT +ATOM 46286 OH2 TIP3 13326 36.740 -18.104 30.928 1.00 0.00 WAT +ATOM 46287 H1 TIP3 13326 36.176 -18.900 30.940 1.00 0.00 WAT +ATOM 46288 H2 TIP3 13326 37.547 -18.443 30.513 1.00 0.00 WAT +ATOM 46289 OH2 TIP3 13327 39.723 -24.094 26.943 1.00 0.00 WAT +ATOM 46290 H1 TIP3 13327 39.471 -23.159 26.783 1.00 0.00 WAT +ATOM 46291 H2 TIP3 13327 39.041 -24.560 26.422 1.00 0.00 WAT +ATOM 46292 OH2 TIP3 13328 41.025 -19.654 30.696 1.00 0.00 WAT +ATOM 46293 H1 TIP3 13328 40.653 -19.886 31.561 1.00 0.00 WAT +ATOM 46294 H2 TIP3 13328 40.265 -19.870 30.121 1.00 0.00 WAT +ATOM 46295 OH2 TIP3 13329 35.395 -20.649 30.751 1.00 0.00 WAT +ATOM 46296 H1 TIP3 13329 35.289 -21.370 30.104 1.00 0.00 WAT +ATOM 46297 H2 TIP3 13329 35.116 -21.089 31.574 1.00 0.00 WAT +ATOM 46298 OH2 TIP3 13330 39.446 -24.644 29.786 1.00 0.00 WAT +ATOM 46299 H1 TIP3 13330 40.059 -25.390 29.816 1.00 0.00 WAT +ATOM 46300 H2 TIP3 13330 39.403 -24.473 28.826 1.00 0.00 WAT +ATOM 46301 OH2 TIP3 13331 40.363 -22.832 31.718 1.00 0.00 WAT +ATOM 46302 H1 TIP3 13331 40.052 -23.379 30.969 1.00 0.00 WAT +ATOM 46303 H2 TIP3 13331 39.728 -22.096 31.710 1.00 0.00 WAT +ATOM 46304 OH2 TIP3 13332 39.559 -5.789 15.120 1.00 0.00 WAT +ATOM 46305 H1 TIP3 13332 40.517 -5.698 15.204 1.00 0.00 WAT +ATOM 46306 H2 TIP3 13332 39.408 -5.284 14.307 1.00 0.00 WAT +ATOM 46307 OH2 TIP3 13333 33.360 -11.461 14.763 1.00 0.00 WAT +ATOM 46308 H1 TIP3 13333 34.299 -11.186 14.718 1.00 0.00 WAT +ATOM 46309 H2 TIP3 13333 33.308 -12.119 14.042 1.00 0.00 WAT +ATOM 46310 OH2 TIP3 13334 32.294 -6.221 19.265 1.00 0.00 WAT +ATOM 46311 H1 TIP3 13334 31.431 -6.427 18.875 1.00 0.00 WAT +ATOM 46312 H2 TIP3 13334 32.309 -6.789 20.053 1.00 0.00 WAT +ATOM 46313 OH2 TIP3 13335 32.688 -8.361 21.224 1.00 0.00 WAT +ATOM 46314 H1 TIP3 13335 32.474 -9.119 21.805 1.00 0.00 WAT +ATOM 46315 H2 TIP3 13335 33.073 -7.791 21.910 1.00 0.00 WAT +ATOM 46316 OH2 TIP3 13336 32.865 -14.741 23.754 1.00 0.00 WAT +ATOM 46317 H1 TIP3 13336 33.097 -14.766 22.811 1.00 0.00 WAT +ATOM 46318 H2 TIP3 13336 33.717 -14.990 24.165 1.00 0.00 WAT +ATOM 46319 OH2 TIP3 13337 32.388 -19.830 30.281 1.00 0.00 WAT +ATOM 46320 H1 TIP3 13337 33.323 -20.078 30.247 1.00 0.00 WAT +ATOM 46321 H2 TIP3 13337 31.956 -20.702 30.382 1.00 0.00 WAT +ATOM 46322 OH2 TIP3 13338 33.515 -21.100 22.913 1.00 0.00 WAT +ATOM 46323 H1 TIP3 13338 33.922 -21.968 23.081 1.00 0.00 WAT +ATOM 46324 H2 TIP3 13338 34.150 -20.510 23.358 1.00 0.00 WAT +ATOM 46325 OH2 TIP3 13339 32.058 -18.438 23.987 1.00 0.00 WAT +ATOM 46326 H1 TIP3 13339 32.616 -18.419 23.197 1.00 0.00 WAT +ATOM 46327 H2 TIP3 13339 32.382 -17.676 24.484 1.00 0.00 WAT +ATOM 46328 OH2 TIP3 13340 32.510 -22.064 18.091 1.00 0.00 WAT +ATOM 46329 H1 TIP3 13340 31.562 -22.052 17.866 1.00 0.00 WAT +ATOM 46330 H2 TIP3 13340 32.905 -21.481 17.416 1.00 0.00 WAT +ATOM 46331 OH2 TIP3 13341 32.315 -23.251 26.414 1.00 0.00 WAT +ATOM 46332 H1 TIP3 13341 31.704 -23.601 27.080 1.00 0.00 WAT +ATOM 46333 H2 TIP3 13341 31.715 -22.800 25.797 1.00 0.00 WAT +ATOM 46334 OH2 TIP3 13342 34.563 -10.086 30.858 1.00 0.00 WAT +ATOM 46335 H1 TIP3 13342 33.775 -10.110 30.297 1.00 0.00 WAT +ATOM 46336 H2 TIP3 13342 34.192 -10.180 31.748 1.00 0.00 WAT +ATOM 46337 OH2 TIP3 13343 37.410 -9.166 26.524 1.00 0.00 WAT +ATOM 46338 H1 TIP3 13343 37.103 -8.291 26.231 1.00 0.00 WAT +ATOM 46339 H2 TIP3 13343 38.374 -9.048 26.402 1.00 0.00 WAT +ATOM 46340 OH2 TIP3 13344 42.192 -7.474 29.478 1.00 0.00 WAT +ATOM 46341 H1 TIP3 13344 42.037 -7.853 30.357 1.00 0.00 WAT +ATOM 46342 H2 TIP3 13344 43.146 -7.282 29.545 1.00 0.00 WAT +ATOM 46343 OH2 TIP3 13345 34.769 -6.155 26.878 1.00 0.00 WAT +ATOM 46344 H1 TIP3 13345 34.148 -5.510 26.496 1.00 0.00 WAT +ATOM 46345 H2 TIP3 13345 34.486 -6.154 27.801 1.00 0.00 WAT +ATOM 46346 OH2 TIP3 13346 37.263 -6.417 25.447 1.00 0.00 WAT +ATOM 46347 H1 TIP3 13346 36.427 -6.207 25.907 1.00 0.00 WAT +ATOM 46348 H2 TIP3 13346 37.340 -5.686 24.806 1.00 0.00 WAT +ATOM 46349 OH2 TIP3 13347 41.946 -6.616 25.016 1.00 0.00 WAT +ATOM 46350 H1 TIP3 13347 41.797 -6.101 24.210 1.00 0.00 WAT +ATOM 46351 H2 TIP3 13347 42.594 -6.085 25.493 1.00 0.00 WAT +ATOM 46352 OH2 TIP3 13348 34.356 -7.365 23.836 1.00 0.00 WAT +ATOM 46353 H1 TIP3 13348 34.323 -7.834 24.699 1.00 0.00 WAT +ATOM 46354 H2 TIP3 13348 35.136 -7.797 23.440 1.00 0.00 WAT +ATOM 46355 OH2 TIP3 13349 36.355 -8.657 22.249 1.00 0.00 WAT +ATOM 46356 H1 TIP3 13349 36.231 -9.569 22.589 1.00 0.00 WAT +ATOM 46357 H2 TIP3 13349 37.252 -8.448 22.585 1.00 0.00 WAT +ATOM 46358 OH2 TIP3 13350 39.082 -8.150 23.179 1.00 0.00 WAT +ATOM 46359 H1 TIP3 13350 39.343 -9.064 22.980 1.00 0.00 WAT +ATOM 46360 H2 TIP3 13350 39.213 -8.137 24.142 1.00 0.00 WAT +ATOM 46361 OH2 TIP3 13351 42.654 -22.577 22.478 1.00 0.00 WAT +ATOM 46362 H1 TIP3 13351 41.824 -23.063 22.634 1.00 0.00 WAT +ATOM 46363 H2 TIP3 13351 42.991 -23.022 21.696 1.00 0.00 WAT +ATOM 46364 OH2 TIP3 13352 34.820 -23.546 20.003 1.00 0.00 WAT +ATOM 46365 H1 TIP3 13352 33.944 -23.694 19.594 1.00 0.00 WAT +ATOM 46366 H2 TIP3 13352 35.215 -24.434 19.904 1.00 0.00 WAT +ATOM 46367 OH2 TIP3 13353 33.655 -24.071 15.936 1.00 0.00 WAT +ATOM 46368 H1 TIP3 13353 34.115 -23.401 15.400 1.00 0.00 WAT +ATOM 46369 H2 TIP3 13353 33.197 -23.532 16.599 1.00 0.00 WAT +ATOM 46370 OH2 TIP3 13354 39.297 -23.674 19.921 1.00 0.00 WAT +ATOM 46371 H1 TIP3 13354 40.242 -23.444 19.827 1.00 0.00 WAT +ATOM 46372 H2 TIP3 13354 39.252 -23.834 20.872 1.00 0.00 WAT +ATOM 46373 OH2 TIP3 13355 33.334 -8.417 17.291 1.00 0.00 WAT +ATOM 46374 H1 TIP3 13355 33.042 -8.320 16.365 1.00 0.00 WAT +ATOM 46375 H2 TIP3 13355 33.742 -7.541 17.402 1.00 0.00 WAT +ATOM 46376 OH2 TIP3 13356 35.359 -22.210 14.332 1.00 0.00 WAT +ATOM 46377 H1 TIP3 13356 35.935 -22.825 13.844 1.00 0.00 WAT +ATOM 46378 H2 TIP3 13356 35.957 -21.910 15.041 1.00 0.00 WAT +ATOM 46379 OH2 TIP3 13357 40.619 -22.004 16.929 1.00 0.00 WAT +ATOM 46380 H1 TIP3 13357 40.661 -22.700 17.605 1.00 0.00 WAT +ATOM 46381 H2 TIP3 13357 40.725 -21.197 17.469 1.00 0.00 WAT +ATOM 46382 OH2 TIP3 13358 42.641 -6.485 15.184 1.00 0.00 WAT +ATOM 46383 H1 TIP3 13358 43.511 -6.091 14.992 1.00 0.00 WAT +ATOM 46384 H2 TIP3 13358 42.491 -7.050 14.405 1.00 0.00 WAT +ATOM 46385 OH2 TIP3 13359 34.824 -23.235 29.486 1.00 0.00 WAT +ATOM 46386 H1 TIP3 13359 34.153 -23.850 29.835 1.00 0.00 WAT +ATOM 46387 H2 TIP3 13359 35.620 -23.515 29.969 1.00 0.00 WAT +ATOM 46388 OH2 TIP3 13360 37.018 -23.932 31.335 1.00 0.00 WAT +ATOM 46389 H1 TIP3 13360 37.827 -24.299 30.928 1.00 0.00 WAT +ATOM 46390 H2 TIP3 13360 36.611 -24.730 31.706 1.00 0.00 WAT +ATOM 46391 OH2 TIP3 13361 35.177 -7.243 13.942 1.00 0.00 WAT +ATOM 46392 H1 TIP3 13361 35.051 -6.809 14.798 1.00 0.00 WAT +ATOM 46393 H2 TIP3 13361 36.027 -7.702 14.040 1.00 0.00 WAT +ATOM 46394 OH2 TIP3 13362 -31.617 4.026 20.285 1.00 0.00 WAT +ATOM 46395 H1 TIP3 13362 -31.613 4.990 20.397 1.00 0.00 WAT +ATOM 46396 H2 TIP3 13362 -32.360 3.909 19.675 1.00 0.00 WAT +ATOM 46397 OH2 TIP3 13363 -32.756 3.493 23.374 1.00 0.00 WAT +ATOM 46398 H1 TIP3 13363 -32.754 2.927 24.163 1.00 0.00 WAT +ATOM 46399 H2 TIP3 13363 -33.018 2.863 22.685 1.00 0.00 WAT +ATOM 46400 OH2 TIP3 13364 -40.288 3.078 25.013 1.00 0.00 WAT +ATOM 46401 H1 TIP3 13364 -40.328 2.331 25.639 1.00 0.00 WAT +ATOM 46402 H2 TIP3 13364 -39.589 3.615 25.413 1.00 0.00 WAT +ATOM 46403 OH2 TIP3 13365 -29.048 6.217 21.694 1.00 0.00 WAT +ATOM 46404 H1 TIP3 13365 -29.446 5.513 22.223 1.00 0.00 WAT +ATOM 46405 H2 TIP3 13365 -28.797 6.852 22.377 1.00 0.00 WAT +ATOM 46406 OH2 TIP3 13366 -39.604 7.685 23.509 1.00 0.00 WAT +ATOM 46407 H1 TIP3 13366 -39.868 6.780 23.252 1.00 0.00 WAT +ATOM 46408 H2 TIP3 13366 -38.668 7.544 23.720 1.00 0.00 WAT +ATOM 46409 OH2 TIP3 13367 -41.974 1.670 17.988 1.00 0.00 WAT +ATOM 46410 H1 TIP3 13367 -42.230 2.424 18.546 1.00 0.00 WAT +ATOM 46411 H2 TIP3 13367 -42.828 1.324 17.702 1.00 0.00 WAT +ATOM 46412 OH2 TIP3 13368 -42.049 3.445 20.539 1.00 0.00 WAT +ATOM 46413 H1 TIP3 13368 -41.883 2.820 21.264 1.00 0.00 WAT +ATOM 46414 H2 TIP3 13368 -41.183 3.850 20.414 1.00 0.00 WAT +ATOM 46415 OH2 TIP3 13369 -32.005 11.587 22.279 1.00 0.00 WAT +ATOM 46416 H1 TIP3 13369 -31.423 10.891 21.919 1.00 0.00 WAT +ATOM 46417 H2 TIP3 13369 -32.264 11.204 23.125 1.00 0.00 WAT +ATOM 46418 OH2 TIP3 13370 -34.258 6.000 23.930 1.00 0.00 WAT +ATOM 46419 H1 TIP3 13370 -33.934 5.277 23.362 1.00 0.00 WAT +ATOM 46420 H2 TIP3 13370 -33.445 6.150 24.452 1.00 0.00 WAT +ATOM 46421 OH2 TIP3 13371 -25.639 -2.456 24.582 1.00 0.00 WAT +ATOM 46422 H1 TIP3 13371 -25.316 -1.869 25.286 1.00 0.00 WAT +ATOM 46423 H2 TIP3 13371 -24.999 -2.259 23.871 1.00 0.00 WAT +ATOM 46424 OH2 TIP3 13372 -30.964 0.337 24.425 1.00 0.00 WAT +ATOM 46425 H1 TIP3 13372 -30.839 -0.623 24.510 1.00 0.00 WAT +ATOM 46426 H2 TIP3 13372 -31.051 0.432 23.464 1.00 0.00 WAT +ATOM 46427 OH2 TIP3 13373 -37.979 -1.656 21.524 1.00 0.00 WAT +ATOM 46428 H1 TIP3 13373 -37.852 -0.803 21.065 1.00 0.00 WAT +ATOM 46429 H2 TIP3 13373 -38.343 -2.197 20.797 1.00 0.00 WAT +ATOM 46430 OH2 TIP3 13374 -30.363 -1.620 19.729 1.00 0.00 WAT +ATOM 46431 H1 TIP3 13374 -29.714 -2.056 20.313 1.00 0.00 WAT +ATOM 46432 H2 TIP3 13374 -29.777 -1.196 19.082 1.00 0.00 WAT +ATOM 46433 OH2 TIP3 13375 -41.384 1.090 22.058 1.00 0.00 WAT +ATOM 46434 H1 TIP3 13375 -40.789 0.663 22.699 1.00 0.00 WAT +ATOM 46435 H2 TIP3 13375 -41.206 0.552 21.268 1.00 0.00 WAT +ATOM 46436 OH2 TIP3 13376 -35.924 2.452 21.495 1.00 0.00 WAT +ATOM 46437 H1 TIP3 13376 -35.207 1.908 21.875 1.00 0.00 WAT +ATOM 46438 H2 TIP3 13376 -36.430 1.781 21.001 1.00 0.00 WAT +ATOM 46439 OH2 TIP3 13377 -24.852 -1.085 27.059 1.00 0.00 WAT +ATOM 46440 H1 TIP3 13377 -25.481 -0.394 26.782 1.00 0.00 WAT +ATOM 46441 H2 TIP3 13377 -25.078 -1.164 27.996 1.00 0.00 WAT +ATOM 46442 OH2 TIP3 13378 -39.159 -2.819 25.682 1.00 0.00 WAT +ATOM 46443 H1 TIP3 13378 -39.630 -2.390 24.956 1.00 0.00 WAT +ATOM 46444 H2 TIP3 13378 -39.796 -2.694 26.415 1.00 0.00 WAT +ATOM 46445 OH2 TIP3 13379 -31.709 6.894 19.091 1.00 0.00 WAT +ATOM 46446 H1 TIP3 13379 -32.002 6.658 18.207 1.00 0.00 WAT +ATOM 46447 H2 TIP3 13379 -32.162 7.740 19.250 1.00 0.00 WAT +ATOM 46448 OH2 TIP3 13380 -36.252 5.014 25.799 1.00 0.00 WAT +ATOM 46449 H1 TIP3 13380 -36.983 5.612 26.061 1.00 0.00 WAT +ATOM 46450 H2 TIP3 13380 -35.629 5.624 25.363 1.00 0.00 WAT +ATOM 46451 OH2 TIP3 13381 -28.397 -2.292 21.837 1.00 0.00 WAT +ATOM 46452 H1 TIP3 13381 -28.814 -2.834 22.518 1.00 0.00 WAT +ATOM 46453 H2 TIP3 13381 -27.813 -1.723 22.360 1.00 0.00 WAT +ATOM 46454 OH2 TIP3 13382 -39.584 -0.770 23.592 1.00 0.00 WAT +ATOM 46455 H1 TIP3 13382 -38.923 -0.225 24.069 1.00 0.00 WAT +ATOM 46456 H2 TIP3 13382 -39.006 -1.178 22.909 1.00 0.00 WAT +ATOM 46457 OH2 TIP3 13383 -38.276 6.878 26.524 1.00 0.00 WAT +ATOM 46458 H1 TIP3 13383 -38.305 7.803 26.221 1.00 0.00 WAT +ATOM 46459 H2 TIP3 13383 -39.156 6.805 26.939 1.00 0.00 WAT +ATOM 46460 OH2 TIP3 13384 -41.806 6.542 17.432 1.00 0.00 WAT +ATOM 46461 H1 TIP3 13384 -42.620 6.674 16.903 1.00 0.00 WAT +ATOM 46462 H2 TIP3 13384 -41.958 7.100 18.207 1.00 0.00 WAT +ATOM 46463 OH2 TIP3 13385 -28.486 8.033 24.184 1.00 0.00 WAT +ATOM 46464 H1 TIP3 13385 -29.456 8.134 24.211 1.00 0.00 WAT +ATOM 46465 H2 TIP3 13385 -28.227 8.897 23.814 1.00 0.00 WAT +ATOM 46466 OH2 TIP3 13386 -28.173 -3.169 25.728 1.00 0.00 WAT +ATOM 46467 H1 TIP3 13386 -28.949 -2.752 25.309 1.00 0.00 WAT +ATOM 46468 H2 TIP3 13386 -27.451 -2.913 25.122 1.00 0.00 WAT +ATOM 46469 OH2 TIP3 13387 -35.069 -5.443 22.735 1.00 0.00 WAT +ATOM 46470 H1 TIP3 13387 -35.322 -6.388 22.787 1.00 0.00 WAT +ATOM 46471 H2 TIP3 13387 -35.856 -5.018 23.138 1.00 0.00 WAT +ATOM 46472 OH2 TIP3 13388 -30.202 9.975 20.765 1.00 0.00 WAT +ATOM 46473 H1 TIP3 13388 -29.729 9.182 20.438 1.00 0.00 WAT +ATOM 46474 H2 TIP3 13388 -29.524 10.664 20.634 1.00 0.00 WAT +ATOM 46475 OH2 TIP3 13389 -28.779 7.855 19.388 1.00 0.00 WAT +ATOM 46476 H1 TIP3 13389 -29.233 7.383 18.675 1.00 0.00 WAT +ATOM 46477 H2 TIP3 13389 -28.818 7.192 20.104 1.00 0.00 WAT +ATOM 46478 OH2 TIP3 13390 -27.199 6.661 27.861 1.00 0.00 WAT +ATOM 46479 H1 TIP3 13390 -27.331 6.014 27.144 1.00 0.00 WAT +ATOM 46480 H2 TIP3 13390 -27.105 7.499 27.369 1.00 0.00 WAT +ATOM 46481 OH2 TIP3 13391 -32.911 3.552 17.561 1.00 0.00 WAT +ATOM 46482 H1 TIP3 13391 -33.570 4.153 17.170 1.00 0.00 WAT +ATOM 46483 H2 TIP3 13391 -32.195 3.583 16.904 1.00 0.00 WAT +ATOM 46484 OH2 TIP3 13392 -32.690 1.747 14.627 1.00 0.00 WAT +ATOM 46485 H1 TIP3 13392 -31.984 2.042 15.233 1.00 0.00 WAT +ATOM 46486 H2 TIP3 13392 -32.172 1.207 14.013 1.00 0.00 WAT +ATOM 46487 OH2 TIP3 13393 -25.394 2.895 25.735 1.00 0.00 WAT +ATOM 46488 H1 TIP3 13393 -26.156 3.497 25.852 1.00 0.00 WAT +ATOM 46489 H2 TIP3 13393 -25.031 3.214 24.889 1.00 0.00 WAT +ATOM 46490 OH2 TIP3 13394 -29.404 3.612 18.656 1.00 0.00 WAT +ATOM 46491 H1 TIP3 13394 -30.111 3.796 19.313 1.00 0.00 WAT +ATOM 46492 H2 TIP3 13394 -28.859 2.971 19.143 1.00 0.00 WAT +ATOM 46493 OH2 TIP3 13395 -29.593 2.105 27.471 1.00 0.00 WAT +ATOM 46494 H1 TIP3 13395 -29.556 2.923 27.993 1.00 0.00 WAT +ATOM 46495 H2 TIP3 13395 -30.256 2.380 26.811 1.00 0.00 WAT +ATOM 46496 OH2 TIP3 13396 -37.832 4.346 20.399 1.00 0.00 WAT +ATOM 46497 H1 TIP3 13396 -38.156 3.904 19.590 1.00 0.00 WAT +ATOM 46498 H2 TIP3 13396 -37.188 3.699 20.736 1.00 0.00 WAT +ATOM 46499 OH2 TIP3 13397 -36.476 7.735 23.154 1.00 0.00 WAT +ATOM 46500 H1 TIP3 13397 -36.582 7.360 22.269 1.00 0.00 WAT +ATOM 46501 H2 TIP3 13397 -35.677 7.270 23.471 1.00 0.00 WAT +ATOM 46502 OH2 TIP3 13398 -37.293 3.198 23.871 1.00 0.00 WAT +ATOM 46503 H1 TIP3 13398 -36.686 3.190 23.105 1.00 0.00 WAT +ATOM 46504 H2 TIP3 13398 -36.858 3.819 24.485 1.00 0.00 WAT +ATOM 46505 OH2 TIP3 13399 -31.323 8.666 24.478 1.00 0.00 WAT +ATOM 46506 H1 TIP3 13399 -31.286 9.328 25.190 1.00 0.00 WAT +ATOM 46507 H2 TIP3 13399 -31.543 7.842 24.948 1.00 0.00 WAT +ATOM 46508 OH2 TIP3 13400 -36.412 7.474 28.716 1.00 0.00 WAT +ATOM 46509 H1 TIP3 13400 -36.929 8.117 29.230 1.00 0.00 WAT +ATOM 46510 H2 TIP3 13400 -37.061 7.197 28.043 1.00 0.00 WAT +ATOM 46511 OH2 TIP3 13401 -30.440 2.920 16.105 1.00 0.00 WAT +ATOM 46512 H1 TIP3 13401 -29.934 3.152 16.911 1.00 0.00 WAT +ATOM 46513 H2 TIP3 13401 -29.928 3.418 15.424 1.00 0.00 WAT +ATOM 46514 OH2 TIP3 13402 -39.564 3.849 27.865 1.00 0.00 WAT +ATOM 46515 H1 TIP3 13402 -39.483 4.414 28.653 1.00 0.00 WAT +ATOM 46516 H2 TIP3 13402 -40.532 3.764 27.788 1.00 0.00 WAT +ATOM 46517 OH2 TIP3 13403 -33.042 9.610 19.657 1.00 0.00 WAT +ATOM 46518 H1 TIP3 13403 -32.552 9.900 20.435 1.00 0.00 WAT +ATOM 46519 H2 TIP3 13403 -33.519 10.407 19.385 1.00 0.00 WAT +ATOM 46520 OH2 TIP3 13404 -38.367 9.656 29.574 1.00 0.00 WAT +ATOM 46521 H1 TIP3 13404 -38.432 9.664 28.603 1.00 0.00 WAT +ATOM 46522 H2 TIP3 13404 -39.276 9.443 29.852 1.00 0.00 WAT +ATOM 46523 OH2 TIP3 13405 -27.078 -4.684 15.213 1.00 0.00 WAT +ATOM 46524 H1 TIP3 13405 -27.376 -5.338 15.849 1.00 0.00 WAT +ATOM 46525 H2 TIP3 13405 -26.109 -4.685 15.336 1.00 0.00 WAT +ATOM 46526 OH2 TIP3 13406 -38.944 3.068 17.948 1.00 0.00 WAT +ATOM 46527 H1 TIP3 13406 -39.164 3.822 17.376 1.00 0.00 WAT +ATOM 46528 H2 TIP3 13406 -39.641 2.434 17.717 1.00 0.00 WAT +ATOM 46529 OH2 TIP3 13407 -25.565 8.820 14.137 1.00 0.00 WAT +ATOM 46530 H1 TIP3 13407 -25.426 9.754 14.389 1.00 0.00 WAT +ATOM 46531 H2 TIP3 13407 -24.667 8.455 14.263 1.00 0.00 WAT +ATOM 46532 OH2 TIP3 13408 -42.705 5.920 26.455 1.00 0.00 WAT +ATOM 46533 H1 TIP3 13408 -42.857 5.544 25.570 1.00 0.00 WAT +ATOM 46534 H2 TIP3 13408 -43.046 5.203 27.018 1.00 0.00 WAT +ATOM 46535 OH2 TIP3 13409 -42.790 8.768 23.399 1.00 0.00 WAT +ATOM 46536 H1 TIP3 13409 -41.999 8.244 23.585 1.00 0.00 WAT +ATOM 46537 H2 TIP3 13409 -42.980 9.154 24.262 1.00 0.00 WAT +ATOM 46538 OH2 TIP3 13410 -24.418 9.249 29.368 1.00 0.00 WAT +ATOM 46539 H1 TIP3 13410 -24.560 8.292 29.239 1.00 0.00 WAT +ATOM 46540 H2 TIP3 13410 -25.321 9.529 29.639 1.00 0.00 WAT +ATOM 46541 OH2 TIP3 13411 -33.784 8.525 28.158 1.00 0.00 WAT +ATOM 46542 H1 TIP3 13411 -33.702 9.336 28.699 1.00 0.00 WAT +ATOM 46543 H2 TIP3 13411 -34.679 8.214 28.401 1.00 0.00 WAT +ATOM 46544 OH2 TIP3 13412 -33.492 12.331 18.145 1.00 0.00 WAT +ATOM 46545 H1 TIP3 13412 -33.478 12.429 17.177 1.00 0.00 WAT +ATOM 46546 H2 TIP3 13412 -33.436 13.248 18.457 1.00 0.00 WAT +ATOM 46547 OH2 TIP3 13413 -39.767 11.461 19.769 1.00 0.00 WAT +ATOM 46548 H1 TIP3 13413 -39.514 11.058 20.623 1.00 0.00 WAT +ATOM 46549 H2 TIP3 13413 -40.507 10.881 19.521 1.00 0.00 WAT +ATOM 46550 OH2 TIP3 13414 -30.197 11.747 15.321 1.00 0.00 WAT +ATOM 46551 H1 TIP3 13414 -29.602 11.102 14.888 1.00 0.00 WAT +ATOM 46552 H2 TIP3 13414 -30.239 11.381 16.228 1.00 0.00 WAT +ATOM 46553 OH2 TIP3 13415 -30.798 11.188 18.126 1.00 0.00 WAT +ATOM 46554 H1 TIP3 13415 -31.753 11.309 18.272 1.00 0.00 WAT +ATOM 46555 H2 TIP3 13415 -30.620 10.463 18.751 1.00 0.00 WAT +ATOM 46556 OH2 TIP3 13416 -27.621 0.665 29.771 1.00 0.00 WAT +ATOM 46557 H1 TIP3 13416 -28.163 1.037 29.061 1.00 0.00 WAT +ATOM 46558 H2 TIP3 13416 -27.589 -0.277 29.516 1.00 0.00 WAT +ATOM 46559 OH2 TIP3 13417 -40.720 7.312 27.949 1.00 0.00 WAT +ATOM 46560 H1 TIP3 13417 -40.412 6.742 28.678 1.00 0.00 WAT +ATOM 46561 H2 TIP3 13417 -41.464 6.804 27.562 1.00 0.00 WAT +ATOM 46562 OH2 TIP3 13418 -37.466 -4.220 23.710 1.00 0.00 WAT +ATOM 46563 H1 TIP3 13418 -38.300 -4.413 23.245 1.00 0.00 WAT +ATOM 46564 H2 TIP3 13418 -37.764 -3.527 24.318 1.00 0.00 WAT +ATOM 46565 OH2 TIP3 13419 -33.121 -4.622 27.352 1.00 0.00 WAT +ATOM 46566 H1 TIP3 13419 -32.620 -5.189 27.969 1.00 0.00 WAT +ATOM 46567 H2 TIP3 13419 -34.032 -4.970 27.426 1.00 0.00 WAT +ATOM 46568 OH2 TIP3 13420 -29.929 -0.846 27.848 1.00 0.00 WAT +ATOM 46569 H1 TIP3 13420 -30.550 -1.025 28.579 1.00 0.00 WAT +ATOM 46570 H2 TIP3 13420 -30.028 0.110 27.703 1.00 0.00 WAT +ATOM 46571 OH2 TIP3 13421 -28.923 4.119 14.073 1.00 0.00 WAT +ATOM 46572 H1 TIP3 13421 -29.087 3.839 13.160 1.00 0.00 WAT +ATOM 46573 H2 TIP3 13421 -27.952 4.250 14.047 1.00 0.00 WAT +ATOM 46574 OH2 TIP3 13422 -37.619 0.567 25.066 1.00 0.00 WAT +ATOM 46575 H1 TIP3 13422 -38.171 0.664 25.859 1.00 0.00 WAT +ATOM 46576 H2 TIP3 13422 -37.566 1.484 24.728 1.00 0.00 WAT +ATOM 46577 OH2 TIP3 13423 -37.699 0.631 19.965 1.00 0.00 WAT +ATOM 46578 H1 TIP3 13423 -38.658 0.571 19.796 1.00 0.00 WAT +ATOM 46579 H2 TIP3 13423 -37.347 0.454 19.075 1.00 0.00 WAT +ATOM 46580 OH2 TIP3 13424 -31.876 1.153 18.622 1.00 0.00 WAT +ATOM 46581 H1 TIP3 13424 -32.283 1.991 18.322 1.00 0.00 WAT +ATOM 46582 H2 TIP3 13424 -31.301 0.935 17.864 1.00 0.00 WAT +ATOM 46583 OH2 TIP3 13425 -32.880 1.409 30.106 1.00 0.00 WAT +ATOM 46584 H1 TIP3 13425 -33.383 0.646 30.457 1.00 0.00 WAT +ATOM 46585 H2 TIP3 13425 -32.003 1.267 30.510 1.00 0.00 WAT +ATOM 46586 OH2 TIP3 13426 -31.192 0.507 21.443 1.00 0.00 WAT +ATOM 46587 H1 TIP3 13426 -31.438 1.095 20.703 1.00 0.00 WAT +ATOM 46588 H2 TIP3 13426 -30.990 -0.304 20.930 1.00 0.00 WAT +ATOM 46589 OH2 TIP3 13427 -40.291 0.745 26.937 1.00 0.00 WAT +ATOM 46590 H1 TIP3 13427 -39.938 1.064 27.777 1.00 0.00 WAT +ATOM 46591 H2 TIP3 13427 -40.520 -0.174 27.159 1.00 0.00 WAT +ATOM 46592 OH2 TIP3 13428 -36.830 -1.656 13.560 1.00 0.00 WAT +ATOM 46593 H1 TIP3 13428 -37.289 -2.082 14.307 1.00 0.00 WAT +ATOM 46594 H2 TIP3 13428 -37.559 -1.495 12.943 1.00 0.00 WAT +ATOM 46595 OH2 TIP3 13429 -43.189 -1.668 20.556 1.00 0.00 WAT +ATOM 46596 H1 TIP3 13429 -43.041 -1.910 21.490 1.00 0.00 WAT +ATOM 46597 H2 TIP3 13429 -42.786 -2.409 20.097 1.00 0.00 WAT +ATOM 46598 OH2 TIP3 13430 -42.106 -1.181 16.448 1.00 0.00 WAT +ATOM 46599 H1 TIP3 13430 -41.508 -0.950 15.709 1.00 0.00 WAT +ATOM 46600 H2 TIP3 13430 -42.952 -0.894 16.086 1.00 0.00 WAT +ATOM 46601 OH2 TIP3 13431 -32.099 2.273 25.992 1.00 0.00 WAT +ATOM 46602 H1 TIP3 13431 -31.670 1.551 25.477 1.00 0.00 WAT +ATOM 46603 H2 TIP3 13431 -32.454 1.781 26.747 1.00 0.00 WAT +ATOM 46604 OH2 TIP3 13432 -34.919 -1.785 20.957 1.00 0.00 WAT +ATOM 46605 H1 TIP3 13432 -35.854 -1.824 21.222 1.00 0.00 WAT +ATOM 46606 H2 TIP3 13432 -34.472 -1.979 21.799 1.00 0.00 WAT +ATOM 46607 OH2 TIP3 13433 -40.390 -0.508 19.637 1.00 0.00 WAT +ATOM 46608 H1 TIP3 13433 -41.130 -0.346 19.035 1.00 0.00 WAT +ATOM 46609 H2 TIP3 13433 -40.030 -1.345 19.288 1.00 0.00 WAT +ATOM 46610 OH2 TIP3 13434 -36.667 -0.292 17.288 1.00 0.00 WAT +ATOM 46611 H1 TIP3 13434 -35.728 -0.071 17.425 1.00 0.00 WAT +ATOM 46612 H2 TIP3 13434 -36.969 0.371 16.641 1.00 0.00 WAT +ATOM 46613 OH2 TIP3 13435 -30.529 -2.660 24.008 1.00 0.00 WAT +ATOM 46614 H1 TIP3 13435 -31.155 -2.648 24.766 1.00 0.00 WAT +ATOM 46615 H2 TIP3 13435 -31.132 -2.950 23.303 1.00 0.00 WAT +ATOM 46616 OH2 TIP3 13436 -38.237 1.056 15.142 1.00 0.00 WAT +ATOM 46617 H1 TIP3 13436 -38.846 0.736 14.458 1.00 0.00 WAT +ATOM 46618 H2 TIP3 13436 -37.439 1.237 14.615 1.00 0.00 WAT +ATOM 46619 OH2 TIP3 13437 -27.514 13.133 30.672 1.00 0.00 WAT +ATOM 46620 H1 TIP3 13437 -27.280 13.605 29.856 1.00 0.00 WAT +ATOM 46621 H2 TIP3 13437 -26.850 13.474 31.295 1.00 0.00 WAT +ATOM 46622 OH2 TIP3 13438 -39.516 5.782 30.094 1.00 0.00 WAT +ATOM 46623 H1 TIP3 13438 -38.895 5.795 30.855 1.00 0.00 WAT +ATOM 46624 H2 TIP3 13438 -40.365 5.862 30.580 1.00 0.00 WAT +ATOM 46625 OH2 TIP3 13439 -33.857 0.766 22.797 1.00 0.00 WAT +ATOM 46626 H1 TIP3 13439 -33.126 0.308 22.353 1.00 0.00 WAT +ATOM 46627 H2 TIP3 13439 -34.043 0.169 23.551 1.00 0.00 WAT +ATOM 46628 OH2 TIP3 13440 -38.748 -2.859 19.077 1.00 0.00 WAT +ATOM 46629 H1 TIP3 13440 -39.209 -3.708 19.136 1.00 0.00 WAT +ATOM 46630 H2 TIP3 13440 -37.949 -3.101 18.591 1.00 0.00 WAT +ATOM 46631 OH2 TIP3 13441 -34.882 -0.733 25.023 1.00 0.00 WAT +ATOM 46632 H1 TIP3 13441 -35.690 -0.198 25.085 1.00 0.00 WAT +ATOM 46633 H2 TIP3 13441 -34.413 -0.526 25.856 1.00 0.00 WAT +ATOM 46634 OH2 TIP3 13442 -34.777 5.621 16.959 1.00 0.00 WAT +ATOM 46635 H1 TIP3 13442 -35.530 5.100 16.611 1.00 0.00 WAT +ATOM 46636 H2 TIP3 13442 -34.964 5.648 17.925 1.00 0.00 WAT +ATOM 46637 OH2 TIP3 13443 -27.541 4.765 25.694 1.00 0.00 WAT +ATOM 46638 H1 TIP3 13443 -27.062 5.315 25.039 1.00 0.00 WAT +ATOM 46639 H2 TIP3 13443 -28.405 4.647 25.252 1.00 0.00 WAT +ATOM 46640 OH2 TIP3 13444 -33.125 5.635 28.277 1.00 0.00 WAT +ATOM 46641 H1 TIP3 13444 -33.415 5.291 29.134 1.00 0.00 WAT +ATOM 46642 H2 TIP3 13444 -33.442 6.551 28.298 1.00 0.00 WAT +ATOM 46643 OH2 TIP3 13445 -30.204 -0.102 16.508 1.00 0.00 WAT +ATOM 46644 H1 TIP3 13445 -29.327 -0.278 16.887 1.00 0.00 WAT +ATOM 46645 H2 TIP3 13445 -30.035 0.677 15.958 1.00 0.00 WAT +ATOM 46646 OH2 TIP3 13446 -39.770 4.928 22.656 1.00 0.00 WAT +ATOM 46647 H1 TIP3 13446 -39.080 4.848 21.973 1.00 0.00 WAT +ATOM 46648 H2 TIP3 13446 -39.614 4.128 23.186 1.00 0.00 WAT +ATOM 46649 OH2 TIP3 13447 -32.390 6.986 15.873 1.00 0.00 WAT +ATOM 46650 H1 TIP3 13447 -32.643 7.838 16.283 1.00 0.00 WAT +ATOM 46651 H2 TIP3 13447 -33.124 6.416 16.163 1.00 0.00 WAT +ATOM 46652 OH2 TIP3 13448 -42.409 3.464 28.320 1.00 0.00 WAT +ATOM 46653 H1 TIP3 13448 -42.294 2.812 29.033 1.00 0.00 WAT +ATOM 46654 H2 TIP3 13448 -42.885 2.938 27.637 1.00 0.00 WAT +ATOM 46655 OH2 TIP3 13449 -35.402 2.802 30.026 1.00 0.00 WAT +ATOM 46656 H1 TIP3 13449 -35.744 2.526 29.159 1.00 0.00 WAT +ATOM 46657 H2 TIP3 13449 -34.476 2.501 29.958 1.00 0.00 WAT +ATOM 46658 OH2 TIP3 13450 -30.866 8.241 27.748 1.00 0.00 WAT +ATOM 46659 H1 TIP3 13450 -31.835 8.295 27.695 1.00 0.00 WAT +ATOM 46660 H2 TIP3 13450 -30.705 8.467 28.679 1.00 0.00 WAT +ATOM 46661 OH2 TIP3 13451 -25.404 0.302 16.635 1.00 0.00 WAT +ATOM 46662 H1 TIP3 13451 -25.817 0.002 15.812 1.00 0.00 WAT +ATOM 46663 H2 TIP3 13451 -25.244 1.240 16.406 1.00 0.00 WAT +ATOM 46664 OH2 TIP3 13452 -24.870 6.336 29.307 1.00 0.00 WAT +ATOM 46665 H1 TIP3 13452 -25.816 6.532 29.133 1.00 0.00 WAT +ATOM 46666 H2 TIP3 13452 -24.557 6.131 28.405 1.00 0.00 WAT +ATOM 46667 OH2 TIP3 13453 -27.198 8.842 16.563 1.00 0.00 WAT +ATOM 46668 H1 TIP3 13453 -27.330 8.084 17.153 1.00 0.00 WAT +ATOM 46669 H2 TIP3 13453 -26.535 8.508 15.943 1.00 0.00 WAT +ATOM 46670 OH2 TIP3 13454 -29.885 4.208 24.000 1.00 0.00 WAT +ATOM 46671 H1 TIP3 13454 -30.822 4.057 23.772 1.00 0.00 WAT +ATOM 46672 H2 TIP3 13454 -29.461 3.481 23.504 1.00 0.00 WAT +ATOM 46673 OH2 TIP3 13455 -37.276 8.303 20.072 1.00 0.00 WAT +ATOM 46674 H1 TIP3 13455 -36.839 9.158 19.928 1.00 0.00 WAT +ATOM 46675 H2 TIP3 13455 -38.180 8.495 19.797 1.00 0.00 WAT +ATOM 46676 OH2 TIP3 13456 -41.542 3.245 14.757 1.00 0.00 WAT +ATOM 46677 H1 TIP3 13456 -40.814 3.782 15.129 1.00 0.00 WAT +ATOM 46678 H2 TIP3 13456 -42.289 3.843 14.886 1.00 0.00 WAT +ATOM 46679 OH2 TIP3 13457 -35.430 5.983 19.661 1.00 0.00 WAT +ATOM 46680 H1 TIP3 13457 -35.726 6.893 19.817 1.00 0.00 WAT +ATOM 46681 H2 TIP3 13457 -36.138 5.476 20.087 1.00 0.00 WAT +ATOM 46682 OH2 TIP3 13458 -35.261 10.257 26.032 1.00 0.00 WAT +ATOM 46683 H1 TIP3 13458 -34.674 10.965 25.712 1.00 0.00 WAT +ATOM 46684 H2 TIP3 13458 -34.649 9.737 26.580 1.00 0.00 WAT +ATOM 46685 OH2 TIP3 13459 -36.810 11.191 19.274 1.00 0.00 WAT +ATOM 46686 H1 TIP3 13459 -37.762 11.359 19.324 1.00 0.00 WAT +ATOM 46687 H2 TIP3 13459 -36.446 12.074 19.492 1.00 0.00 WAT +ATOM 46688 OH2 TIP3 13460 -31.849 5.996 25.590 1.00 0.00 WAT +ATOM 46689 H1 TIP3 13460 -32.146 5.713 26.474 1.00 0.00 WAT +ATOM 46690 H2 TIP3 13460 -31.121 5.377 25.418 1.00 0.00 WAT +ATOM 46691 OH2 TIP3 13461 -29.711 7.297 14.530 1.00 0.00 WAT +ATOM 46692 H1 TIP3 13461 -29.267 6.848 15.273 1.00 0.00 WAT +ATOM 46693 H2 TIP3 13461 -30.634 7.128 14.786 1.00 0.00 WAT +ATOM 46694 OH2 TIP3 13462 -28.907 10.560 27.969 1.00 0.00 WAT +ATOM 46695 H1 TIP3 13462 -29.669 10.104 27.563 1.00 0.00 WAT +ATOM 46696 H2 TIP3 13462 -28.819 11.358 27.418 1.00 0.00 WAT +ATOM 46697 OH2 TIP3 13463 -24.994 11.545 15.055 1.00 0.00 WAT +ATOM 46698 H1 TIP3 13463 -24.253 12.116 14.793 1.00 0.00 WAT +ATOM 46699 H2 TIP3 13463 -25.720 12.192 15.016 1.00 0.00 WAT +ATOM 46700 OH2 TIP3 13464 -41.002 -1.990 27.671 1.00 0.00 WAT +ATOM 46701 H1 TIP3 13464 -41.882 -1.606 27.506 1.00 0.00 WAT +ATOM 46702 H2 TIP3 13464 -41.196 -2.827 28.134 1.00 0.00 WAT +ATOM 46703 OH2 TIP3 13465 -28.691 5.929 16.921 1.00 0.00 WAT +ATOM 46704 H1 TIP3 13465 -28.950 5.173 17.477 1.00 0.00 WAT +ATOM 46705 H2 TIP3 13465 -27.719 5.896 16.982 1.00 0.00 WAT +ATOM 46706 OH2 TIP3 13466 -41.287 9.731 26.130 1.00 0.00 WAT +ATOM 46707 H1 TIP3 13466 -41.101 8.784 26.190 1.00 0.00 WAT +ATOM 46708 H2 TIP3 13466 -40.939 10.023 26.980 1.00 0.00 WAT +ATOM 46709 OH2 TIP3 13467 -35.442 8.349 13.094 1.00 0.00 WAT +ATOM 46710 H1 TIP3 13467 -35.170 7.570 12.574 1.00 0.00 WAT +ATOM 46711 H2 TIP3 13467 -35.874 7.926 13.854 1.00 0.00 WAT +ATOM 46712 OH2 TIP3 13468 -36.634 7.854 15.824 1.00 0.00 WAT +ATOM 46713 H1 TIP3 13468 -36.093 7.324 16.428 1.00 0.00 WAT +ATOM 46714 H2 TIP3 13468 -36.460 8.767 16.132 1.00 0.00 WAT +ATOM 46715 OH2 TIP3 13469 -39.858 5.269 16.133 1.00 0.00 WAT +ATOM 46716 H1 TIP3 13469 -40.552 5.683 16.698 1.00 0.00 WAT +ATOM 46717 H2 TIP3 13469 -39.357 6.065 15.893 1.00 0.00 WAT +ATOM 46718 OH2 TIP3 13470 -32.092 -2.240 26.204 1.00 0.00 WAT +ATOM 46719 H1 TIP3 13470 -31.498 -1.987 26.924 1.00 0.00 WAT +ATOM 46720 H2 TIP3 13470 -32.596 -2.982 26.597 1.00 0.00 WAT +ATOM 46721 OH2 TIP3 13471 -33.661 9.490 16.427 1.00 0.00 WAT +ATOM 46722 H1 TIP3 13471 -34.478 9.986 16.597 1.00 0.00 WAT +ATOM 46723 H2 TIP3 13471 -33.291 9.967 15.673 1.00 0.00 WAT +ATOM 46724 OH2 TIP3 13472 -33.981 -0.743 18.421 1.00 0.00 WAT +ATOM 46725 H1 TIP3 13472 -33.191 -0.181 18.568 1.00 0.00 WAT +ATOM 46726 H2 TIP3 13472 -34.273 -0.924 19.335 1.00 0.00 WAT +ATOM 46727 OH2 TIP3 13473 -33.652 0.129 27.569 1.00 0.00 WAT +ATOM 46728 H1 TIP3 13473 -33.624 0.633 28.400 1.00 0.00 WAT +ATOM 46729 H2 TIP3 13473 -33.156 -0.665 27.812 1.00 0.00 WAT +ATOM 46730 OH2 TIP3 13474 -33.091 -3.634 19.243 1.00 0.00 WAT +ATOM 46731 H1 TIP3 13474 -33.526 -3.109 19.937 1.00 0.00 WAT +ATOM 46732 H2 TIP3 13474 -32.388 -3.015 18.989 1.00 0.00 WAT +ATOM 46733 OH2 TIP3 13475 -36.462 10.563 16.424 1.00 0.00 WAT +ATOM 46734 H1 TIP3 13475 -36.523 11.372 15.874 1.00 0.00 WAT +ATOM 46735 H2 TIP3 13475 -36.570 10.921 17.324 1.00 0.00 WAT +ATOM 46736 OH2 TIP3 13476 -37.757 -2.781 15.963 1.00 0.00 WAT +ATOM 46737 H1 TIP3 13476 -37.626 -1.964 16.479 1.00 0.00 WAT +ATOM 46738 H2 TIP3 13476 -36.934 -3.271 16.120 1.00 0.00 WAT +ATOM 46739 OH2 TIP3 13477 -27.399 -1.859 28.453 1.00 0.00 WAT +ATOM 46740 H1 TIP3 13477 -28.361 -1.738 28.317 1.00 0.00 WAT +ATOM 46741 H2 TIP3 13477 -27.157 -2.116 27.552 1.00 0.00 WAT +ATOM 46742 OH2 TIP3 13478 -28.903 1.965 22.447 1.00 0.00 WAT +ATOM 46743 H1 TIP3 13478 -29.708 1.491 22.169 1.00 0.00 WAT +ATOM 46744 H2 TIP3 13478 -28.411 1.259 22.921 1.00 0.00 WAT +ATOM 46745 OH2 TIP3 13479 -39.314 8.124 14.973 1.00 0.00 WAT +ATOM 46746 H1 TIP3 13479 -38.537 8.549 15.373 1.00 0.00 WAT +ATOM 46747 H2 TIP3 13479 -38.868 7.573 14.313 1.00 0.00 WAT +ATOM 46748 OH2 TIP3 13480 -41.174 0.257 14.184 1.00 0.00 WAT +ATOM 46749 H1 TIP3 13480 -41.106 1.216 14.308 1.00 0.00 WAT +ATOM 46750 H2 TIP3 13480 -41.872 0.147 13.525 1.00 0.00 WAT +ATOM 46751 OH2 TIP3 13481 -27.875 10.818 23.875 1.00 0.00 WAT +ATOM 46752 H1 TIP3 13481 -28.053 11.629 23.361 1.00 0.00 WAT +ATOM 46753 H2 TIP3 13481 -26.947 10.970 24.119 1.00 0.00 WAT +ATOM 46754 OH2 TIP3 13482 -40.283 -4.735 22.834 1.00 0.00 WAT +ATOM 46755 H1 TIP3 13482 -40.607 -4.795 21.918 1.00 0.00 WAT +ATOM 46756 H2 TIP3 13482 -40.652 -5.547 23.237 1.00 0.00 WAT +ATOM 46757 OH2 TIP3 13483 -41.352 9.042 19.185 1.00 0.00 WAT +ATOM 46758 H1 TIP3 13483 -42.250 9.319 18.986 1.00 0.00 WAT +ATOM 46759 H2 TIP3 13483 -40.917 9.205 18.338 1.00 0.00 WAT +ATOM 46760 OH2 TIP3 13484 -42.132 11.673 30.316 1.00 0.00 WAT +ATOM 46761 H1 TIP3 13484 -41.506 11.686 31.062 1.00 0.00 WAT +ATOM 46762 H2 TIP3 13484 -42.148 10.706 30.192 1.00 0.00 WAT +ATOM 46763 OH2 TIP3 13485 -37.226 10.843 32.028 1.00 0.00 WAT +ATOM 46764 H1 TIP3 13485 -36.575 10.171 32.286 1.00 0.00 WAT +ATOM 46765 H2 TIP3 13485 -37.499 10.513 31.157 1.00 0.00 WAT +ATOM 46766 OH2 TIP3 13486 -33.233 10.044 13.562 1.00 0.00 WAT +ATOM 46767 H1 TIP3 13486 -34.016 9.455 13.492 1.00 0.00 WAT +ATOM 46768 H2 TIP3 13486 -32.549 9.433 13.253 1.00 0.00 WAT +ATOM 46769 OH2 TIP3 13487 -30.801 9.060 30.644 1.00 0.00 WAT +ATOM 46770 H1 TIP3 13487 -31.182 8.249 31.026 1.00 0.00 WAT +ATOM 46771 H2 TIP3 13487 -30.109 9.286 31.293 1.00 0.00 WAT +ATOM 46772 OH2 TIP3 13488 -28.594 9.958 13.712 1.00 0.00 WAT +ATOM 46773 H1 TIP3 13488 -28.424 9.161 14.245 1.00 0.00 WAT +ATOM 46774 H2 TIP3 13488 -27.793 9.994 13.162 1.00 0.00 WAT +ATOM 46775 OH2 TIP3 13489 -41.989 5.724 30.945 1.00 0.00 WAT +ATOM 46776 H1 TIP3 13489 -41.883 4.807 30.647 1.00 0.00 WAT +ATOM 46777 H2 TIP3 13489 -42.875 5.945 30.626 1.00 0.00 WAT +ATOM 46778 OH2 TIP3 13490 -37.809 5.786 13.432 1.00 0.00 WAT +ATOM 46779 H1 TIP3 13490 -37.617 5.187 14.173 1.00 0.00 WAT +ATOM 46780 H2 TIP3 13490 -36.965 5.745 12.942 1.00 0.00 WAT +ATOM 46781 OH2 TIP3 13491 -35.394 5.558 30.745 1.00 0.00 WAT +ATOM 46782 H1 TIP3 13491 -35.688 5.870 29.874 1.00 0.00 WAT +ATOM 46783 H2 TIP3 13491 -35.302 4.592 30.606 1.00 0.00 WAT +ATOM 46784 OH2 TIP3 13492 -32.539 7.146 13.029 1.00 0.00 WAT +ATOM 46785 H1 TIP3 13492 -32.594 7.071 14.000 1.00 0.00 WAT +ATOM 46786 H2 TIP3 13492 -32.583 6.194 12.795 1.00 0.00 WAT +ATOM 46787 OH2 TIP3 13493 -30.014 5.168 28.128 1.00 0.00 WAT +ATOM 46788 H1 TIP3 13493 -29.240 5.723 27.950 1.00 0.00 WAT +ATOM 46789 H2 TIP3 13493 -30.726 5.827 28.122 1.00 0.00 WAT +ATOM 46790 OH2 TIP3 13494 -41.342 2.456 30.719 1.00 0.00 WAT +ATOM 46791 H1 TIP3 13494 -40.565 1.875 30.601 1.00 0.00 WAT +ATOM 46792 H2 TIP3 13494 -41.243 2.691 31.654 1.00 0.00 WAT +ATOM 46793 OH2 TIP3 13495 -36.735 3.871 15.757 1.00 0.00 WAT +ATOM 46794 H1 TIP3 13495 -37.334 3.346 16.309 1.00 0.00 WAT +ATOM 46795 H2 TIP3 13495 -36.423 3.195 15.122 1.00 0.00 WAT +ATOM 46796 OH2 TIP3 13496 -37.517 1.624 27.978 1.00 0.00 WAT +ATOM 46797 H1 TIP3 13496 -38.033 2.418 28.202 1.00 0.00 WAT +ATOM 46798 H2 TIP3 13496 -36.833 1.989 27.386 1.00 0.00 WAT +ATOM 46799 OH2 TIP3 13497 -35.758 1.879 14.009 1.00 0.00 WAT +ATOM 46800 H1 TIP3 13497 -35.801 1.969 13.038 1.00 0.00 WAT +ATOM 46801 H2 TIP3 13497 -34.793 1.871 14.156 1.00 0.00 WAT +ATOM 46802 OH2 TIP3 13498 -32.193 4.339 31.560 1.00 0.00 WAT +ATOM 46803 H1 TIP3 13498 -31.288 4.143 31.275 1.00 0.00 WAT +ATOM 46804 H2 TIP3 13498 -32.450 3.500 31.969 1.00 0.00 WAT +ATOM 46805 OH2 TIP3 13499 -26.312 4.422 13.309 1.00 0.00 WAT +ATOM 46806 H1 TIP3 13499 -26.291 3.938 12.465 1.00 0.00 WAT +ATOM 46807 H2 TIP3 13499 -25.921 5.265 13.051 1.00 0.00 WAT +ATOM 46808 OH2 TIP3 13500 -36.921 -1.078 29.163 1.00 0.00 WAT +ATOM 46809 H1 TIP3 13500 -36.842 -1.746 28.454 1.00 0.00 WAT +ATOM 46810 H2 TIP3 13500 -37.114 -0.276 28.649 1.00 0.00 WAT +ATOM 46811 OH2 TIP3 13501 -36.592 -2.568 26.633 1.00 0.00 WAT +ATOM 46812 H1 TIP3 13501 -36.063 -2.115 25.952 1.00 0.00 WAT +ATOM 46813 H2 TIP3 13501 -37.494 -2.574 26.247 1.00 0.00 WAT +ATOM 46814 OH2 TIP3 13502 -35.026 2.838 27.003 1.00 0.00 WAT +ATOM 46815 H1 TIP3 13502 -34.186 2.743 26.530 1.00 0.00 WAT +ATOM 46816 H2 TIP3 13502 -35.321 3.716 26.692 1.00 0.00 WAT +ATOM 46817 OH2 TIP3 13503 -30.441 0.766 31.768 1.00 0.00 WAT +ATOM 46818 H1 TIP3 13503 -30.243 -0.167 31.944 1.00 0.00 WAT +ATOM 46819 H2 TIP3 13503 -29.551 1.150 31.749 1.00 0.00 WAT +ATOM 46820 OH2 TIP3 13504 -29.467 3.566 30.274 1.00 0.00 WAT +ATOM 46821 H1 TIP3 13504 -29.817 4.172 29.589 1.00 0.00 WAT +ATOM 46822 H2 TIP3 13504 -28.585 3.384 29.898 1.00 0.00 WAT +ATOM 46823 OH2 TIP3 13505 -38.800 0.837 30.867 1.00 0.00 WAT +ATOM 46824 H1 TIP3 13505 -39.309 0.010 30.943 1.00 0.00 WAT +ATOM 46825 H2 TIP3 13505 -37.963 0.521 30.495 1.00 0.00 WAT +ATOM 46826 OH2 TIP3 13506 -35.806 -5.261 26.885 1.00 0.00 WAT +ATOM 46827 H1 TIP3 13506 -36.103 -4.336 26.764 1.00 0.00 WAT +ATOM 46828 H2 TIP3 13506 -36.523 -5.780 26.484 1.00 0.00 WAT +ATOM 46829 OH2 TIP3 13507 -34.595 -0.688 30.743 1.00 0.00 WAT +ATOM 46830 H1 TIP3 13507 -34.920 -0.940 31.625 1.00 0.00 WAT +ATOM 46831 H2 TIP3 13507 -35.386 -0.909 30.209 1.00 0.00 WAT +ATOM 46832 OH2 TIP3 13508 -32.038 -1.657 29.601 1.00 0.00 WAT +ATOM 46833 H1 TIP3 13508 -32.923 -1.633 30.009 1.00 0.00 WAT +ATOM 46834 H2 TIP3 13508 -31.577 -2.297 30.177 1.00 0.00 WAT +ATOM 46835 OH2 TIP3 13509 -30.190 -3.174 31.330 1.00 0.00 WAT +ATOM 46836 H1 TIP3 13509 -30.355 -4.127 31.480 1.00 0.00 WAT +ATOM 46837 H2 TIP3 13509 -30.385 -2.775 32.198 1.00 0.00 WAT +ATOM 46838 OH2 TIP3 13510 -40.179 -1.741 30.760 1.00 0.00 WAT +ATOM 46839 H1 TIP3 13510 -40.161 -2.493 30.145 1.00 0.00 WAT +ATOM 46840 H2 TIP3 13510 -40.300 -2.196 31.617 1.00 0.00 WAT +ATOM 46841 OH2 TIP3 13511 -35.948 -5.774 29.771 1.00 0.00 WAT +ATOM 46842 H1 TIP3 13511 -35.419 -6.591 29.824 1.00 0.00 WAT +ATOM 46843 H2 TIP3 13511 -36.038 -5.702 28.804 1.00 0.00 WAT +ATOM 46844 OH2 TIP3 13512 -35.041 -3.896 31.621 1.00 0.00 WAT +ATOM 46845 H1 TIP3 13512 -35.286 -4.523 30.906 1.00 0.00 WAT +ATOM 46846 H2 TIP3 13512 -35.790 -3.287 31.626 1.00 0.00 WAT +ATOM 46847 OH2 TIP3 13513 -35.998 13.112 15.108 1.00 0.00 WAT +ATOM 46848 H1 TIP3 13513 -35.044 13.232 15.220 1.00 0.00 WAT +ATOM 46849 H2 TIP3 13513 -36.136 13.559 14.263 1.00 0.00 WAT +ATOM 46850 OH2 TIP3 13514 -41.993 8.006 14.214 1.00 0.00 WAT +ATOM 46851 H1 TIP3 13514 -41.189 7.934 14.763 1.00 0.00 WAT +ATOM 46852 H2 TIP3 13514 -42.155 7.088 13.949 1.00 0.00 WAT +ATOM 46853 OH2 TIP3 13515 -42.992 10.867 21.459 1.00 0.00 WAT +ATOM 46854 H1 TIP3 13515 -42.815 9.962 21.788 1.00 0.00 WAT +ATOM 46855 H2 TIP3 13515 -42.420 11.355 22.078 1.00 0.00 WAT +ATOM 46856 OH2 TIP3 13516 -25.164 11.975 24.378 1.00 0.00 WAT +ATOM 46857 H1 TIP3 13516 -24.998 11.981 25.333 1.00 0.00 WAT +ATOM 46858 H2 TIP3 13516 -24.317 12.292 24.033 1.00 0.00 WAT +ATOM 46859 OH2 TIP3 13517 -25.258 11.438 27.240 1.00 0.00 WAT +ATOM 46860 H1 TIP3 13517 -25.775 10.685 26.898 1.00 0.00 WAT +ATOM 46861 H2 TIP3 13517 -24.706 10.986 27.896 1.00 0.00 WAT +ATOM 46862 OH2 TIP3 13518 -27.251 6.860 31.535 1.00 0.00 WAT +ATOM 46863 H1 TIP3 13518 -28.136 6.931 31.934 1.00 0.00 WAT +ATOM 46864 H2 TIP3 13518 -26.806 7.663 31.858 1.00 0.00 WAT +ATOM 46865 OH2 TIP3 13519 -25.858 5.919 17.338 1.00 0.00 WAT +ATOM 46866 H1 TIP3 13519 -24.907 6.164 17.407 1.00 0.00 WAT +ATOM 46867 H2 TIP3 13519 -25.874 5.125 17.881 1.00 0.00 WAT +ATOM 46868 OH2 TIP3 13520 -24.982 3.673 19.823 1.00 0.00 WAT +ATOM 46869 H1 TIP3 13520 -25.863 3.360 19.540 1.00 0.00 WAT +ATOM 46870 H2 TIP3 13520 -25.023 3.397 20.741 1.00 0.00 WAT +ATOM 46871 OH2 TIP3 13521 -25.606 6.170 24.257 1.00 0.00 WAT +ATOM 46872 H1 TIP3 13521 -25.014 5.728 23.631 1.00 0.00 WAT +ATOM 46873 H2 TIP3 13521 -25.562 7.094 23.954 1.00 0.00 WAT +ATOM 46874 OH2 TIP3 13522 -26.958 9.133 26.472 1.00 0.00 WAT +ATOM 46875 H1 TIP3 13522 -27.681 9.547 26.977 1.00 0.00 WAT +ATOM 46876 H2 TIP3 13522 -27.430 8.786 25.690 1.00 0.00 WAT +ATOM 46877 OH2 TIP3 13523 -25.365 3.176 16.024 1.00 0.00 WAT +ATOM 46878 H1 TIP3 13523 -25.548 3.317 15.081 1.00 0.00 WAT +ATOM 46879 H2 TIP3 13523 -24.914 4.001 16.239 1.00 0.00 WAT +ATOM 46880 OH2 TIP3 13524 -26.982 0.843 13.976 1.00 0.00 WAT +ATOM 46881 H1 TIP3 13524 -26.448 1.263 13.281 1.00 0.00 WAT +ATOM 46882 H2 TIP3 13524 -27.040 -0.075 13.662 1.00 0.00 WAT +ATOM 46883 OH2 TIP3 13525 -27.347 1.909 20.056 1.00 0.00 WAT +ATOM 46884 H1 TIP3 13525 -27.463 0.977 19.799 1.00 0.00 WAT +ATOM 46885 H2 TIP3 13525 -27.814 1.948 20.912 1.00 0.00 WAT +ATOM 46886 OH2 TIP3 13526 -42.544 4.387 24.063 1.00 0.00 WAT +ATOM 46887 H1 TIP3 13526 -42.243 4.554 23.159 1.00 0.00 WAT +ATOM 46888 H2 TIP3 13526 -41.751 3.948 24.444 1.00 0.00 WAT +ATOM 46889 OH2 TIP3 13527 -26.859 3.778 29.169 1.00 0.00 WAT +ATOM 46890 H1 TIP3 13527 -26.136 3.159 29.387 1.00 0.00 WAT +ATOM 46891 H2 TIP3 13527 -26.396 4.616 29.050 1.00 0.00 WAT +ATOM 46892 OH2 TIP3 13528 -25.296 1.894 30.398 1.00 0.00 WAT +ATOM 46893 H1 TIP3 13528 -26.095 1.359 30.196 1.00 0.00 WAT +ATOM 46894 H2 TIP3 13528 -24.603 1.207 30.397 1.00 0.00 WAT +ATOM 46895 OH2 TIP3 13529 -27.394 -2.029 13.598 1.00 0.00 WAT +ATOM 46896 H1 TIP3 13529 -26.690 -2.595 13.955 1.00 0.00 WAT +ATOM 46897 H2 TIP3 13529 -28.056 -2.692 13.410 1.00 0.00 WAT +ATOM 46898 OH2 TIP3 13530 -27.754 -0.565 18.197 1.00 0.00 WAT +ATOM 46899 H1 TIP3 13530 -27.445 -1.493 18.294 1.00 0.00 WAT +ATOM 46900 H2 TIP3 13530 -26.970 -0.174 17.768 1.00 0.00 WAT +ATOM 46901 OH2 TIP3 13531 -27.372 0.002 23.668 1.00 0.00 WAT +ATOM 46902 H1 TIP3 13531 -26.397 0.009 23.641 1.00 0.00 WAT +ATOM 46903 H2 TIP3 13531 -27.515 -0.015 24.629 1.00 0.00 WAT +ATOM 46904 OH2 TIP3 13532 -27.187 0.666 26.493 1.00 0.00 WAT +ATOM 46905 H1 TIP3 13532 -28.051 1.028 26.768 1.00 0.00 WAT +ATOM 46906 H2 TIP3 13532 -26.689 1.474 26.283 1.00 0.00 WAT +ATOM 46907 OH2 TIP3 13533 -42.853 -0.698 30.100 1.00 0.00 WAT +ATOM 46908 H1 TIP3 13533 -41.958 -1.076 30.148 1.00 0.00 WAT +ATOM 46909 H2 TIP3 13533 -43.426 -1.449 30.316 1.00 0.00 WAT +ATOM 46910 OH2 TIP3 13534 -24.641 -5.185 31.792 1.00 0.00 WAT +ATOM 46911 H1 TIP3 13534 -24.223 -5.879 31.247 1.00 0.00 WAT +ATOM 46912 H2 TIP3 13534 -24.609 -4.412 31.197 1.00 0.00 WAT +ATOM 46913 OH2 TIP3 13535 -27.130 -3.328 18.267 1.00 0.00 WAT +ATOM 46914 H1 TIP3 13535 -27.010 -3.727 19.145 1.00 0.00 WAT +ATOM 46915 H2 TIP3 13535 -27.853 -3.860 17.888 1.00 0.00 WAT +ATOM 46916 OH2 TIP3 13536 -41.943 -2.126 23.218 1.00 0.00 WAT +ATOM 46917 H1 TIP3 13536 -41.614 -3.037 23.273 1.00 0.00 WAT +ATOM 46918 H2 TIP3 13536 -41.146 -1.610 23.439 1.00 0.00 WAT +ATOM 46919 OH2 TIP3 13537 -43.323 0.474 24.119 1.00 0.00 WAT +ATOM 46920 H1 TIP3 13537 -42.940 -0.097 23.437 1.00 0.00 WAT +ATOM 46921 H2 TIP3 13537 -43.036 1.344 23.825 1.00 0.00 WAT +ATOM 46922 OH2 TIP3 13538 -25.258 -3.134 30.023 1.00 0.00 WAT +ATOM 46923 H1 TIP3 13538 -26.143 -2.731 30.090 1.00 0.00 WAT +ATOM 46924 H2 TIP3 13538 -25.387 -3.694 29.236 1.00 0.00 WAT +ATOM 46925 OH2 TIP3 13539 -43.148 -3.411 17.626 1.00 0.00 WAT +ATOM 46926 H1 TIP3 13539 -43.991 -3.110 17.257 1.00 0.00 WAT +ATOM 46927 H2 TIP3 13539 -42.555 -2.694 17.306 1.00 0.00 WAT +ATOM 46928 OH2 TIP3 13540 -28.278 12.051 20.180 1.00 0.00 WAT +ATOM 46929 H1 TIP3 13540 -27.821 11.798 19.358 1.00 0.00 WAT +ATOM 46930 H2 TIP3 13540 -27.551 12.412 20.701 1.00 0.00 WAT +ATOM 46931 OH2 TIP3 13541 -42.936 -4.416 25.980 1.00 0.00 WAT +ATOM 46932 H1 TIP3 13541 -43.596 -4.532 26.706 1.00 0.00 WAT +ATOM 46933 H2 TIP3 13541 -43.427 -3.973 25.275 1.00 0.00 WAT +ATOM 46934 OH2 TIP3 13542 -41.208 9.102 30.675 1.00 0.00 WAT +ATOM 46935 H1 TIP3 13542 -41.679 8.436 30.163 1.00 0.00 WAT +ATOM 46936 H2 TIP3 13542 -41.333 8.753 31.589 1.00 0.00 WAT +ATOM 46937 OH2 TIP3 13543 -38.023 9.740 26.589 1.00 0.00 WAT +ATOM 46938 H1 TIP3 13543 -38.308 10.593 26.216 1.00 0.00 WAT +ATOM 46939 H2 TIP3 13543 -37.062 9.807 26.415 1.00 0.00 WAT +ATOM 46940 OH2 TIP3 13544 -33.529 11.061 29.590 1.00 0.00 WAT +ATOM 46941 H1 TIP3 13544 -33.378 10.860 30.529 1.00 0.00 WAT +ATOM 46942 H2 TIP3 13544 -32.680 11.481 29.343 1.00 0.00 WAT +ATOM 46943 OH2 TIP3 13545 -31.226 12.491 28.820 1.00 0.00 WAT +ATOM 46944 H1 TIP3 13545 -30.535 11.846 28.605 1.00 0.00 WAT +ATOM 46945 H2 TIP3 13545 -30.921 12.806 29.694 1.00 0.00 WAT +ATOM 46946 OH2 TIP3 13546 -26.442 -4.910 28.011 1.00 0.00 WAT +ATOM 46947 H1 TIP3 13546 -27.217 -4.682 27.472 1.00 0.00 WAT +ATOM 46948 H2 TIP3 13546 -26.224 -5.805 27.672 1.00 0.00 WAT +ATOM 46949 OH2 TIP3 13547 -40.659 12.878 26.796 1.00 0.00 WAT +ATOM 46950 H1 TIP3 13547 -41.393 13.322 26.327 1.00 0.00 WAT +ATOM 46951 H2 TIP3 13547 -41.023 12.803 27.684 1.00 0.00 WAT +ATOM 46952 OH2 TIP3 13548 -38.120 12.467 25.537 1.00 0.00 WAT +ATOM 46953 H1 TIP3 13548 -39.006 12.662 25.906 1.00 0.00 WAT +ATOM 46954 H2 TIP3 13548 -38.063 13.095 24.792 1.00 0.00 WAT +ATOM 46955 OH2 TIP3 13549 -33.487 12.458 25.057 1.00 0.00 WAT +ATOM 46956 H1 TIP3 13549 -33.811 12.904 24.254 1.00 0.00 WAT +ATOM 46957 H2 TIP3 13549 -33.308 13.216 25.646 1.00 0.00 WAT +ATOM 46958 OH2 TIP3 13550 -31.091 11.177 25.930 1.00 0.00 WAT +ATOM 46959 H1 TIP3 13550 -31.939 11.539 25.616 1.00 0.00 WAT +ATOM 46960 H2 TIP3 13550 -30.521 11.959 25.915 1.00 0.00 WAT +ATOM 46961 OH2 TIP3 13551 -28.558 12.902 26.118 1.00 0.00 WAT +ATOM 46962 H1 TIP3 13551 -28.587 13.856 25.908 1.00 0.00 WAT +ATOM 46963 H2 TIP3 13551 -28.265 12.542 25.263 1.00 0.00 WAT +ATOM 46964 OH2 TIP3 13552 -41.241 11.532 23.787 1.00 0.00 WAT +ATOM 46965 H1 TIP3 13552 -41.335 11.073 24.646 1.00 0.00 WAT +ATOM 46966 H2 TIP3 13552 -40.473 11.061 23.413 1.00 0.00 WAT +ATOM 46967 OH2 TIP3 13553 -39.112 10.280 22.327 1.00 0.00 WAT +ATOM 46968 H1 TIP3 13553 -39.256 9.348 22.592 1.00 0.00 WAT +ATOM 46969 H2 TIP3 13553 -38.193 10.428 22.625 1.00 0.00 WAT +ATOM 46970 OH2 TIP3 13554 -36.320 10.696 23.177 1.00 0.00 WAT +ATOM 46971 H1 TIP3 13554 -36.126 9.770 22.943 1.00 0.00 WAT +ATOM 46972 H2 TIP3 13554 -36.234 10.655 24.142 1.00 0.00 WAT +ATOM 46973 OH2 TIP3 13555 -32.974 -3.405 22.398 1.00 0.00 WAT +ATOM 46974 H1 TIP3 13555 -33.629 -4.086 22.640 1.00 0.00 WAT +ATOM 46975 H2 TIP3 13555 -32.348 -3.906 21.855 1.00 0.00 WAT +ATOM 46976 OH2 TIP3 13556 -28.060 -5.892 22.754 1.00 0.00 WAT +ATOM 46977 H1 TIP3 13556 -27.245 -5.422 22.503 1.00 0.00 WAT +ATOM 46978 H2 TIP3 13556 -28.745 -5.307 22.391 1.00 0.00 WAT +ATOM 46979 OH2 TIP3 13557 -25.945 -4.290 20.872 1.00 0.00 WAT +ATOM 46980 H1 TIP3 13557 -25.273 -4.754 20.333 1.00 0.00 WAT +ATOM 46981 H2 TIP3 13557 -25.604 -3.378 20.887 1.00 0.00 WAT +ATOM 46982 OH2 TIP3 13558 -41.063 -4.834 19.993 1.00 0.00 WAT +ATOM 46983 H1 TIP3 13558 -41.796 -5.134 19.442 1.00 0.00 WAT +ATOM 46984 H2 TIP3 13558 -40.452 -5.589 19.924 1.00 0.00 WAT +ATOM 46985 OH2 TIP3 13559 -41.816 -5.229 15.832 1.00 0.00 WAT +ATOM 46986 H1 TIP3 13559 -41.299 -4.567 15.328 1.00 0.00 WAT +ATOM 46987 H2 TIP3 13559 -42.328 -4.653 16.429 1.00 0.00 WAT +ATOM 46988 OH2 TIP3 13560 -36.129 -4.807 19.876 1.00 0.00 WAT +ATOM 46989 H1 TIP3 13560 -35.185 -4.626 19.785 1.00 0.00 WAT +ATOM 46990 H2 TIP3 13560 -36.204 -4.929 20.831 1.00 0.00 WAT +ATOM 46991 OH2 TIP3 13561 -30.490 -4.910 21.349 1.00 0.00 WAT +ATOM 46992 H1 TIP3 13561 -30.415 -4.913 20.386 1.00 0.00 WAT +ATOM 46993 H2 TIP3 13561 -30.925 -5.761 21.542 1.00 0.00 WAT +ATOM 46994 OH2 TIP3 13562 -29.544 -4.794 17.419 1.00 0.00 WAT +ATOM 46995 H1 TIP3 13562 -30.329 -4.460 16.983 1.00 0.00 WAT +ATOM 46996 H2 TIP3 13562 -29.717 -5.748 17.465 1.00 0.00 WAT +ATOM 46997 OH2 TIP3 13563 -41.996 10.814 16.941 1.00 0.00 WAT +ATOM 46998 H1 TIP3 13563 -42.478 10.607 16.132 1.00 0.00 WAT +ATOM 46999 H2 TIP3 13563 -41.819 11.759 16.826 1.00 0.00 WAT +ATOM 47000 OH2 TIP3 13564 -40.059 -3.370 14.414 1.00 0.00 WAT +ATOM 47001 H1 TIP3 13564 -39.490 -3.913 13.840 1.00 0.00 WAT +ATOM 47002 H2 TIP3 13564 -39.414 -3.068 15.085 1.00 0.00 WAT +ATOM 47003 OH2 TIP3 13565 -34.456 -3.130 16.591 1.00 0.00 WAT +ATOM 47004 H1 TIP3 13565 -34.638 -3.785 17.283 1.00 0.00 WAT +ATOM 47005 H2 TIP3 13565 -34.690 -2.309 17.063 1.00 0.00 WAT +ATOM 47006 OH2 TIP3 13566 -32.947 12.577 15.196 1.00 0.00 WAT +ATOM 47007 H1 TIP3 13566 -31.972 12.583 15.159 1.00 0.00 WAT +ATOM 47008 H2 TIP3 13566 -33.142 11.921 14.507 1.00 0.00 WAT +ATOM 47009 OH2 TIP3 13567 -26.484 11.618 17.786 1.00 0.00 WAT +ATOM 47010 H1 TIP3 13567 -26.667 10.765 17.343 1.00 0.00 WAT +ATOM 47011 H2 TIP3 13567 -26.421 12.209 17.020 1.00 0.00 WAT +ATOM 47012 OH2 TIP3 13568 -40.794 -4.399 29.584 1.00 0.00 WAT +ATOM 47013 H1 TIP3 13568 -41.253 -5.182 29.935 1.00 0.00 WAT +ATOM 47014 H2 TIP3 13568 -39.875 -4.612 29.820 1.00 0.00 WAT +ATOM 47015 OH2 TIP3 13569 -38.406 -5.066 31.317 1.00 0.00 WAT +ATOM 47016 H1 TIP3 13569 -37.599 -5.436 30.905 1.00 0.00 WAT +ATOM 47017 H2 TIP3 13569 -38.773 -5.865 31.739 1.00 0.00 WAT +ATOM 47018 OH2 TIP3 13570 -40.134 11.775 13.852 1.00 0.00 WAT +ATOM 47019 H1 TIP3 13570 -40.366 12.000 14.763 1.00 0.00 WAT +ATOM 47020 H2 TIP3 13570 -39.412 11.134 13.972 1.00 0.00 WAT +ATOM 47021 OH2 TIP3 13571 -30.310 -5.975 31.463 1.00 0.00 WAT +ATOM 47022 H1 TIP3 13571 -30.280 -6.385 32.349 1.00 0.00 WAT +ATOM 47023 H2 TIP3 13571 -29.371 -6.004 31.205 1.00 0.00 WAT +ATOM 47024 OH2 TIP3 13572 -26.910 10.382 30.131 1.00 0.00 WAT +ATOM 47025 H1 TIP3 13572 -27.672 10.178 29.559 1.00 0.00 WAT +ATOM 47026 H2 TIP3 13572 -27.105 11.308 30.369 1.00 0.00 WAT +ATOM 47027 OH2 TIP3 13573 -13.917 3.524 23.166 1.00 0.00 WAT +ATOM 47028 H1 TIP3 13573 -13.939 3.213 24.086 1.00 0.00 WAT +ATOM 47029 H2 TIP3 13573 -14.298 2.728 22.743 1.00 0.00 WAT +ATOM 47030 OH2 TIP3 13574 -21.420 3.112 24.986 1.00 0.00 WAT +ATOM 47031 H1 TIP3 13574 -21.510 2.349 25.589 1.00 0.00 WAT +ATOM 47032 H2 TIP3 13574 -20.734 3.619 25.442 1.00 0.00 WAT +ATOM 47033 OH2 TIP3 13575 -9.945 6.308 21.832 1.00 0.00 WAT +ATOM 47034 H1 TIP3 13575 -10.130 5.547 22.390 1.00 0.00 WAT +ATOM 47035 H2 TIP3 13575 -9.481 6.902 22.433 1.00 0.00 WAT +ATOM 47036 OH2 TIP3 13576 -20.661 7.638 23.603 1.00 0.00 WAT +ATOM 47037 H1 TIP3 13576 -21.004 6.781 23.310 1.00 0.00 WAT +ATOM 47038 H2 TIP3 13576 -19.730 7.446 23.775 1.00 0.00 WAT +ATOM 47039 OH2 TIP3 13577 -23.769 1.287 19.097 1.00 0.00 WAT +ATOM 47040 H1 TIP3 13577 -24.338 2.017 18.807 1.00 0.00 WAT +ATOM 47041 H2 TIP3 13577 -24.223 0.545 18.662 1.00 0.00 WAT +ATOM 47042 OH2 TIP3 13578 -13.143 11.554 22.207 1.00 0.00 WAT +ATOM 47043 H1 TIP3 13578 -12.682 10.795 21.822 1.00 0.00 WAT +ATOM 47044 H2 TIP3 13578 -13.354 11.251 23.098 1.00 0.00 WAT +ATOM 47045 OH2 TIP3 13579 -6.635 -2.646 24.675 1.00 0.00 WAT +ATOM 47046 H1 TIP3 13579 -6.711 -2.001 25.405 1.00 0.00 WAT +ATOM 47047 H2 TIP3 13579 -7.107 -2.253 23.933 1.00 0.00 WAT +ATOM 47048 OH2 TIP3 13580 -12.065 0.282 24.317 1.00 0.00 WAT +ATOM 47049 H1 TIP3 13580 -12.230 -0.657 24.510 1.00 0.00 WAT +ATOM 47050 H2 TIP3 13580 -12.330 0.352 23.391 1.00 0.00 WAT +ATOM 47051 OH2 TIP3 13581 -19.226 -1.642 21.523 1.00 0.00 WAT +ATOM 47052 H1 TIP3 13581 -18.913 -0.879 21.017 1.00 0.00 WAT +ATOM 47053 H2 TIP3 13581 -19.432 -2.259 20.793 1.00 0.00 WAT +ATOM 47054 OH2 TIP3 13582 -22.356 1.570 21.760 1.00 0.00 WAT +ATOM 47055 H1 TIP3 13582 -21.913 1.056 22.458 1.00 0.00 WAT +ATOM 47056 H2 TIP3 13582 -22.516 0.864 21.101 1.00 0.00 WAT +ATOM 47057 OH2 TIP3 13583 -17.126 2.487 21.612 1.00 0.00 WAT +ATOM 47058 H1 TIP3 13583 -16.437 1.869 21.916 1.00 0.00 WAT +ATOM 47059 H2 TIP3 13583 -17.629 1.896 21.012 1.00 0.00 WAT +ATOM 47060 OH2 TIP3 13584 -6.068 -0.998 26.914 1.00 0.00 WAT +ATOM 47061 H1 TIP3 13584 -6.758 -0.313 26.838 1.00 0.00 WAT +ATOM 47062 H2 TIP3 13584 -6.074 -1.147 27.870 1.00 0.00 WAT +ATOM 47063 OH2 TIP3 13585 -20.307 -2.794 25.646 1.00 0.00 WAT +ATOM 47064 H1 TIP3 13585 -20.760 -2.372 24.902 1.00 0.00 WAT +ATOM 47065 H2 TIP3 13585 -20.982 -2.698 26.348 1.00 0.00 WAT +ATOM 47066 OH2 TIP3 13586 -20.775 -0.713 23.560 1.00 0.00 WAT +ATOM 47067 H1 TIP3 13586 -20.056 -0.227 24.007 1.00 0.00 WAT +ATOM 47068 H2 TIP3 13586 -20.262 -1.127 22.825 1.00 0.00 WAT +ATOM 47069 OH2 TIP3 13587 -18.960 6.622 26.367 1.00 0.00 WAT +ATOM 47070 H1 TIP3 13587 -19.255 7.504 26.081 1.00 0.00 WAT +ATOM 47071 H2 TIP3 13587 -19.791 6.276 26.736 1.00 0.00 WAT +ATOM 47072 OH2 TIP3 13588 -23.193 6.495 17.505 1.00 0.00 WAT +ATOM 47073 H1 TIP3 13588 -22.901 6.665 16.591 1.00 0.00 WAT +ATOM 47074 H2 TIP3 13588 -22.800 7.233 17.998 1.00 0.00 WAT +ATOM 47075 OH2 TIP3 13589 -9.677 8.109 24.362 1.00 0.00 WAT +ATOM 47076 H1 TIP3 13589 -10.614 8.275 24.207 1.00 0.00 WAT +ATOM 47077 H2 TIP3 13589 -9.285 8.908 23.962 1.00 0.00 WAT +ATOM 47078 OH2 TIP3 13590 -9.578 -2.995 25.690 1.00 0.00 WAT +ATOM 47079 H1 TIP3 13590 -10.287 -2.449 25.325 1.00 0.00 WAT +ATOM 47080 H2 TIP3 13590 -8.949 -3.049 24.959 1.00 0.00 WAT +ATOM 47081 OH2 TIP3 13591 -16.040 -5.294 22.781 1.00 0.00 WAT +ATOM 47082 H1 TIP3 13591 -16.284 -6.227 22.668 1.00 0.00 WAT +ATOM 47083 H2 TIP3 13591 -16.874 -4.893 23.089 1.00 0.00 WAT +ATOM 47084 OH2 TIP3 13592 -11.262 9.708 20.442 1.00 0.00 WAT +ATOM 47085 H1 TIP3 13592 -10.615 9.019 20.242 1.00 0.00 WAT +ATOM 47086 H2 TIP3 13592 -10.686 10.493 20.528 1.00 0.00 WAT +ATOM 47087 OH2 TIP3 13593 -8.465 6.652 27.842 1.00 0.00 WAT +ATOM 47088 H1 TIP3 13593 -8.439 6.004 27.115 1.00 0.00 WAT +ATOM 47089 H2 TIP3 13593 -8.228 7.483 27.391 1.00 0.00 WAT +ATOM 47090 OH2 TIP3 13594 -6.571 2.639 25.529 1.00 0.00 WAT +ATOM 47091 H1 TIP3 13594 -7.138 3.395 25.752 1.00 0.00 WAT +ATOM 47092 H2 TIP3 13594 -5.998 3.014 24.832 1.00 0.00 WAT +ATOM 47093 OH2 TIP3 13595 -10.774 2.099 27.440 1.00 0.00 WAT +ATOM 47094 H1 TIP3 13595 -10.727 2.862 28.035 1.00 0.00 WAT +ATOM 47095 H2 TIP3 13595 -11.442 2.416 26.810 1.00 0.00 WAT +ATOM 47096 OH2 TIP3 13596 -19.178 4.280 20.451 1.00 0.00 WAT +ATOM 47097 H1 TIP3 13596 -19.168 4.118 19.502 1.00 0.00 WAT +ATOM 47098 H2 TIP3 13596 -18.388 3.794 20.750 1.00 0.00 WAT +ATOM 47099 OH2 TIP3 13597 -17.456 7.463 23.241 1.00 0.00 WAT +ATOM 47100 H1 TIP3 13597 -17.753 7.394 22.315 1.00 0.00 WAT +ATOM 47101 H2 TIP3 13597 -16.531 7.223 23.173 1.00 0.00 WAT +ATOM 47102 OH2 TIP3 13598 -18.434 3.514 23.969 1.00 0.00 WAT +ATOM 47103 H1 TIP3 13598 -17.871 3.258 23.212 1.00 0.00 WAT +ATOM 47104 H2 TIP3 13598 -17.812 3.863 24.607 1.00 0.00 WAT +ATOM 47105 OH2 TIP3 13599 -12.843 8.616 24.630 1.00 0.00 WAT +ATOM 47106 H1 TIP3 13599 -12.507 9.391 25.122 1.00 0.00 WAT +ATOM 47107 H2 TIP3 13599 -12.489 7.867 25.123 1.00 0.00 WAT +ATOM 47108 OH2 TIP3 13600 -17.531 7.517 28.653 1.00 0.00 WAT +ATOM 47109 H1 TIP3 13600 -17.995 8.119 29.271 1.00 0.00 WAT +ATOM 47110 H2 TIP3 13600 -18.284 7.227 28.102 1.00 0.00 WAT +ATOM 47111 OH2 TIP3 13601 -20.624 3.951 27.794 1.00 0.00 WAT +ATOM 47112 H1 TIP3 13601 -20.590 4.439 28.639 1.00 0.00 WAT +ATOM 47113 H2 TIP3 13601 -21.571 3.724 27.758 1.00 0.00 WAT +ATOM 47114 OH2 TIP3 13602 -19.468 9.629 29.501 1.00 0.00 WAT +ATOM 47115 H1 TIP3 13602 -19.631 9.597 28.545 1.00 0.00 WAT +ATOM 47116 H2 TIP3 13602 -20.342 9.393 29.872 1.00 0.00 WAT +ATOM 47117 OH2 TIP3 13603 -23.971 5.748 26.639 1.00 0.00 WAT +ATOM 47118 H1 TIP3 13603 -24.515 5.758 25.826 1.00 0.00 WAT +ATOM 47119 H2 TIP3 13603 -23.892 4.795 26.831 1.00 0.00 WAT +ATOM 47120 OH2 TIP3 13604 -23.945 8.663 23.606 1.00 0.00 WAT +ATOM 47121 H1 TIP3 13604 -23.014 8.430 23.713 1.00 0.00 WAT +ATOM 47122 H2 TIP3 13604 -24.064 9.299 24.325 1.00 0.00 WAT +ATOM 47123 OH2 TIP3 13605 -5.558 9.332 29.384 1.00 0.00 WAT +ATOM 47124 H1 TIP3 13605 -5.631 8.386 29.174 1.00 0.00 WAT +ATOM 47125 H2 TIP3 13605 -6.476 9.540 29.663 1.00 0.00 WAT +ATOM 47126 OH2 TIP3 13606 -15.003 8.462 28.083 1.00 0.00 WAT +ATOM 47127 H1 TIP3 13606 -14.731 9.216 28.653 1.00 0.00 WAT +ATOM 47128 H2 TIP3 13606 -15.787 8.157 28.596 1.00 0.00 WAT +ATOM 47129 OH2 TIP3 13607 -20.706 11.540 19.683 1.00 0.00 WAT +ATOM 47130 H1 TIP3 13607 -20.487 11.004 20.462 1.00 0.00 WAT +ATOM 47131 H2 TIP3 13607 -21.417 11.035 19.270 1.00 0.00 WAT +ATOM 47132 OH2 TIP3 13608 -11.620 11.496 17.983 1.00 0.00 WAT +ATOM 47133 H1 TIP3 13608 -12.575 11.553 17.998 1.00 0.00 WAT +ATOM 47134 H2 TIP3 13608 -11.441 10.720 18.533 1.00 0.00 WAT +ATOM 47135 OH2 TIP3 13609 -8.769 0.645 29.766 1.00 0.00 WAT +ATOM 47136 H1 TIP3 13609 -9.307 1.008 29.051 1.00 0.00 WAT +ATOM 47137 H2 TIP3 13609 -8.726 -0.299 29.515 1.00 0.00 WAT +ATOM 47138 OH2 TIP3 13610 -21.592 7.266 27.775 1.00 0.00 WAT +ATOM 47139 H1 TIP3 13610 -21.390 6.889 28.655 1.00 0.00 WAT +ATOM 47140 H2 TIP3 13610 -22.414 6.805 27.536 1.00 0.00 WAT +ATOM 47141 OH2 TIP3 13611 -18.586 -4.233 23.713 1.00 0.00 WAT +ATOM 47142 H1 TIP3 13611 -19.321 -4.334 23.086 1.00 0.00 WAT +ATOM 47143 H2 TIP3 13611 -18.919 -3.500 24.250 1.00 0.00 WAT +ATOM 47144 OH2 TIP3 13612 -14.251 -4.549 27.380 1.00 0.00 WAT +ATOM 47145 H1 TIP3 13612 -13.710 -5.112 27.968 1.00 0.00 WAT +ATOM 47146 H2 TIP3 13612 -15.136 -4.952 27.454 1.00 0.00 WAT +ATOM 47147 OH2 TIP3 13613 -11.086 -0.826 27.845 1.00 0.00 WAT +ATOM 47148 H1 TIP3 13613 -11.714 -1.048 28.559 1.00 0.00 WAT +ATOM 47149 H2 TIP3 13613 -11.204 0.132 27.741 1.00 0.00 WAT +ATOM 47150 OH2 TIP3 13614 -18.754 0.626 25.082 1.00 0.00 WAT +ATOM 47151 H1 TIP3 13614 -19.373 0.609 25.832 1.00 0.00 WAT +ATOM 47152 H2 TIP3 13614 -18.831 1.537 24.758 1.00 0.00 WAT +ATOM 47153 OH2 TIP3 13615 -18.907 0.893 19.859 1.00 0.00 WAT +ATOM 47154 H1 TIP3 13615 -19.776 0.470 19.711 1.00 0.00 WAT +ATOM 47155 H2 TIP3 13615 -18.459 0.658 19.009 1.00 0.00 WAT +ATOM 47156 OH2 TIP3 13616 -14.043 1.400 30.073 1.00 0.00 WAT +ATOM 47157 H1 TIP3 13616 -14.534 0.642 30.455 1.00 0.00 WAT +ATOM 47158 H2 TIP3 13616 -13.164 1.281 30.481 1.00 0.00 WAT +ATOM 47159 OH2 TIP3 13617 -12.376 0.988 20.983 1.00 0.00 WAT +ATOM 47160 H1 TIP3 13617 -12.648 1.269 20.101 1.00 0.00 WAT +ATOM 47161 H2 TIP3 13617 -12.487 0.024 20.912 1.00 0.00 WAT +ATOM 47162 OH2 TIP3 13618 -21.403 0.760 26.909 1.00 0.00 WAT +ATOM 47163 H1 TIP3 13618 -21.151 1.004 27.807 1.00 0.00 WAT +ATOM 47164 H2 TIP3 13618 -21.768 -0.132 27.058 1.00 0.00 WAT +ATOM 47165 OH2 TIP3 13619 -24.556 -1.736 20.580 1.00 0.00 WAT +ATOM 47166 H1 TIP3 13619 -23.890 -1.963 21.249 1.00 0.00 WAT +ATOM 47167 H2 TIP3 13619 -24.199 -2.121 19.750 1.00 0.00 WAT +ATOM 47168 OH2 TIP3 13620 -22.755 -1.205 15.919 1.00 0.00 WAT +ATOM 47169 H1 TIP3 13620 -22.516 -0.612 15.202 1.00 0.00 WAT +ATOM 47170 H2 TIP3 13620 -23.641 -0.919 16.167 1.00 0.00 WAT +ATOM 47171 OH2 TIP3 13621 -13.358 2.260 25.947 1.00 0.00 WAT +ATOM 47172 H1 TIP3 13621 -12.896 1.568 25.424 1.00 0.00 WAT +ATOM 47173 H2 TIP3 13621 -13.695 1.708 26.679 1.00 0.00 WAT +ATOM 47174 OH2 TIP3 13622 -15.928 -1.464 21.237 1.00 0.00 WAT +ATOM 47175 H1 TIP3 13622 -16.654 -1.893 20.763 1.00 0.00 WAT +ATOM 47176 H2 TIP3 13622 -15.557 -2.202 21.731 1.00 0.00 WAT +ATOM 47177 OH2 TIP3 13623 -21.423 -0.576 19.636 1.00 0.00 WAT +ATOM 47178 H1 TIP3 13623 -22.257 -0.477 19.156 1.00 0.00 WAT +ATOM 47179 H2 TIP3 13623 -21.064 -1.388 19.219 1.00 0.00 WAT +ATOM 47180 OH2 TIP3 13624 -17.759 0.340 17.387 1.00 0.00 WAT +ATOM 47181 H1 TIP3 13624 -17.211 -0.456 17.233 1.00 0.00 WAT +ATOM 47182 H2 TIP3 13624 -17.919 0.647 16.486 1.00 0.00 WAT +ATOM 47183 OH2 TIP3 13625 -8.731 13.132 30.659 1.00 0.00 WAT +ATOM 47184 H1 TIP3 13625 -8.485 13.590 29.843 1.00 0.00 WAT +ATOM 47185 H2 TIP3 13625 -8.025 13.439 31.258 1.00 0.00 WAT +ATOM 47186 OH2 TIP3 13626 -20.718 5.763 30.103 1.00 0.00 WAT +ATOM 47187 H1 TIP3 13626 -20.077 5.842 30.842 1.00 0.00 WAT +ATOM 47188 H2 TIP3 13626 -21.548 5.747 30.622 1.00 0.00 WAT +ATOM 47189 OH2 TIP3 13627 -14.884 0.860 22.899 1.00 0.00 WAT +ATOM 47190 H1 TIP3 13627 -14.691 0.242 22.175 1.00 0.00 WAT +ATOM 47191 H2 TIP3 13627 -15.188 0.218 23.579 1.00 0.00 WAT +ATOM 47192 OH2 TIP3 13628 -19.653 -2.779 18.888 1.00 0.00 WAT +ATOM 47193 H1 TIP3 13628 -20.133 -3.612 18.781 1.00 0.00 WAT +ATOM 47194 H2 TIP3 13628 -18.841 -2.961 18.384 1.00 0.00 WAT +ATOM 47195 OH2 TIP3 13629 -16.002 -0.706 25.007 1.00 0.00 WAT +ATOM 47196 H1 TIP3 13629 -16.854 -0.250 25.088 1.00 0.00 WAT +ATOM 47197 H2 TIP3 13629 -15.556 -0.523 25.853 1.00 0.00 WAT +ATOM 47198 OH2 TIP3 13630 -8.702 4.743 25.675 1.00 0.00 WAT +ATOM 47199 H1 TIP3 13630 -8.152 5.255 25.046 1.00 0.00 WAT +ATOM 47200 H2 TIP3 13630 -9.537 4.651 25.184 1.00 0.00 WAT +ATOM 47201 OH2 TIP3 13631 -21.061 4.640 22.393 1.00 0.00 WAT +ATOM 47202 H1 TIP3 13631 -20.230 4.744 21.882 1.00 0.00 WAT +ATOM 47203 H2 TIP3 13631 -20.749 4.116 23.154 1.00 0.00 WAT +ATOM 47204 OH2 TIP3 13632 -23.508 3.272 28.042 1.00 0.00 WAT +ATOM 47205 H1 TIP3 13632 -23.373 2.848 28.914 1.00 0.00 WAT +ATOM 47206 H2 TIP3 13632 -24.139 2.673 27.610 1.00 0.00 WAT +ATOM 47207 OH2 TIP3 13633 -16.543 2.851 29.973 1.00 0.00 WAT +ATOM 47208 H1 TIP3 13633 -16.941 2.450 29.185 1.00 0.00 WAT +ATOM 47209 H2 TIP3 13633 -15.639 2.485 29.953 1.00 0.00 WAT +ATOM 47210 OH2 TIP3 13634 -12.080 8.061 27.774 1.00 0.00 WAT +ATOM 47211 H1 TIP3 13634 -12.992 8.384 27.773 1.00 0.00 WAT +ATOM 47212 H2 TIP3 13634 -11.752 8.431 28.617 1.00 0.00 WAT +ATOM 47213 OH2 TIP3 13635 -6.060 6.270 29.337 1.00 0.00 WAT +ATOM 47214 H1 TIP3 13635 -6.981 6.529 29.139 1.00 0.00 WAT +ATOM 47215 H2 TIP3 13635 -5.688 6.143 28.442 1.00 0.00 WAT +ATOM 47216 OH2 TIP3 13636 -11.066 4.166 23.838 1.00 0.00 WAT +ATOM 47217 H1 TIP3 13636 -11.956 3.786 23.774 1.00 0.00 WAT +ATOM 47218 H2 TIP3 13636 -10.552 3.445 23.409 1.00 0.00 WAT +ATOM 47219 OH2 TIP3 13637 -18.373 8.385 20.348 1.00 0.00 WAT +ATOM 47220 H1 TIP3 13637 -17.798 8.817 19.700 1.00 0.00 WAT +ATOM 47221 H2 TIP3 13637 -19.202 8.356 19.852 1.00 0.00 WAT +ATOM 47222 OH2 TIP3 13638 -22.387 3.474 15.257 1.00 0.00 WAT +ATOM 47223 H1 TIP3 13638 -21.609 3.863 14.839 1.00 0.00 WAT +ATOM 47224 H2 TIP3 13638 -22.952 3.333 14.492 1.00 0.00 WAT +ATOM 47225 OH2 TIP3 13639 -16.260 10.023 26.002 1.00 0.00 WAT +ATOM 47226 H1 TIP3 13639 -15.914 10.873 25.668 1.00 0.00 WAT +ATOM 47227 H2 TIP3 13639 -15.777 9.963 26.841 1.00 0.00 WAT +ATOM 47228 OH2 TIP3 13640 -13.363 5.877 25.833 1.00 0.00 WAT +ATOM 47229 H1 TIP3 13640 -12.942 5.799 26.703 1.00 0.00 WAT +ATOM 47230 H2 TIP3 13640 -12.686 5.421 25.302 1.00 0.00 WAT +ATOM 47231 OH2 TIP3 13641 -10.085 10.573 27.969 1.00 0.00 WAT +ATOM 47232 H1 TIP3 13641 -10.833 10.188 27.484 1.00 0.00 WAT +ATOM 47233 H2 TIP3 13641 -9.905 11.385 27.458 1.00 0.00 WAT +ATOM 47234 OH2 TIP3 13642 -22.202 -2.051 27.649 1.00 0.00 WAT +ATOM 47235 H1 TIP3 13642 -23.118 -1.819 27.400 1.00 0.00 WAT +ATOM 47236 H2 TIP3 13642 -22.331 -2.924 28.061 1.00 0.00 WAT +ATOM 47237 OH2 TIP3 13643 -22.412 9.663 26.069 1.00 0.00 WAT +ATOM 47238 H1 TIP3 13643 -22.106 8.770 26.296 1.00 0.00 WAT +ATOM 47239 H2 TIP3 13643 -22.281 10.119 26.910 1.00 0.00 WAT +ATOM 47240 OH2 TIP3 13644 -13.134 -2.113 26.010 1.00 0.00 WAT +ATOM 47241 H1 TIP3 13644 -12.482 -1.993 26.712 1.00 0.00 WAT +ATOM 47242 H2 TIP3 13644 -13.627 -2.894 26.323 1.00 0.00 WAT +ATOM 47243 OH2 TIP3 13645 -14.666 0.232 27.550 1.00 0.00 WAT +ATOM 47244 H1 TIP3 13645 -14.650 0.615 28.446 1.00 0.00 WAT +ATOM 47245 H2 TIP3 13645 -14.289 -0.645 27.729 1.00 0.00 WAT +ATOM 47246 OH2 TIP3 13646 -8.535 -1.853 28.430 1.00 0.00 WAT +ATOM 47247 H1 TIP3 13646 -9.500 -1.772 28.302 1.00 0.00 WAT +ATOM 47248 H2 TIP3 13646 -8.294 -2.153 27.543 1.00 0.00 WAT +ATOM 47249 OH2 TIP3 13647 -10.057 2.016 22.391 1.00 0.00 WAT +ATOM 47250 H1 TIP3 13647 -10.713 1.590 21.811 1.00 0.00 WAT +ATOM 47251 H2 TIP3 13647 -9.478 1.264 22.596 1.00 0.00 WAT +ATOM 47252 OH2 TIP3 13648 -9.028 10.850 23.901 1.00 0.00 WAT +ATOM 47253 H1 TIP3 13648 -9.195 11.658 23.373 1.00 0.00 WAT +ATOM 47254 H2 TIP3 13648 -8.088 10.991 24.106 1.00 0.00 WAT +ATOM 47255 OH2 TIP3 13649 -21.458 -4.658 22.866 1.00 0.00 WAT +ATOM 47256 H1 TIP3 13649 -21.587 -4.700 21.890 1.00 0.00 WAT +ATOM 47257 H2 TIP3 13649 -21.776 -5.533 23.147 1.00 0.00 WAT +ATOM 47258 OH2 TIP3 13650 -22.468 8.791 19.182 1.00 0.00 WAT +ATOM 47259 H1 TIP3 13650 -23.282 9.292 19.326 1.00 0.00 WAT +ATOM 47260 H2 TIP3 13650 -22.098 9.262 18.423 1.00 0.00 WAT +ATOM 47261 OH2 TIP3 13651 -23.082 11.709 30.249 1.00 0.00 WAT +ATOM 47262 H1 TIP3 13651 -22.545 11.470 31.030 1.00 0.00 WAT +ATOM 47263 H2 TIP3 13651 -23.506 10.858 30.029 1.00 0.00 WAT +ATOM 47264 OH2 TIP3 13652 -18.424 10.808 32.049 1.00 0.00 WAT +ATOM 47265 H1 TIP3 13652 -17.750 10.160 32.301 1.00 0.00 WAT +ATOM 47266 H2 TIP3 13652 -18.644 10.521 31.150 1.00 0.00 WAT +ATOM 47267 OH2 TIP3 13653 -11.910 9.018 30.605 1.00 0.00 WAT +ATOM 47268 H1 TIP3 13653 -12.313 8.249 31.049 1.00 0.00 WAT +ATOM 47269 H2 TIP3 13653 -11.247 9.299 31.264 1.00 0.00 WAT +ATOM 47270 OH2 TIP3 13654 -23.140 5.365 31.392 1.00 0.00 WAT +ATOM 47271 H1 TIP3 13654 -23.073 4.446 31.085 1.00 0.00 WAT +ATOM 47272 H2 TIP3 13654 -23.922 5.671 30.895 1.00 0.00 WAT +ATOM 47273 OH2 TIP3 13655 -16.497 5.592 30.741 1.00 0.00 WAT +ATOM 47274 H1 TIP3 13655 -16.826 5.860 29.875 1.00 0.00 WAT +ATOM 47275 H2 TIP3 13655 -16.337 4.633 30.611 1.00 0.00 WAT +ATOM 47276 OH2 TIP3 13656 -11.293 5.283 28.030 1.00 0.00 WAT +ATOM 47277 H1 TIP3 13656 -10.372 5.570 27.898 1.00 0.00 WAT +ATOM 47278 H2 TIP3 13656 -11.700 6.136 28.253 1.00 0.00 WAT +ATOM 47279 OH2 TIP3 13657 -22.282 2.517 30.566 1.00 0.00 WAT +ATOM 47280 H1 TIP3 13657 -21.579 1.844 30.580 1.00 0.00 WAT +ATOM 47281 H2 TIP3 13657 -22.346 2.716 31.515 1.00 0.00 WAT +ATOM 47282 OH2 TIP3 13658 -18.599 1.614 28.019 1.00 0.00 WAT +ATOM 47283 H1 TIP3 13658 -19.167 2.357 28.282 1.00 0.00 WAT +ATOM 47284 H2 TIP3 13658 -18.047 2.011 27.327 1.00 0.00 WAT +ATOM 47285 OH2 TIP3 13659 -13.317 4.317 31.562 1.00 0.00 WAT +ATOM 47286 H1 TIP3 13659 -12.400 4.117 31.329 1.00 0.00 WAT +ATOM 47287 H2 TIP3 13659 -13.584 3.503 32.013 1.00 0.00 WAT +ATOM 47288 OH2 TIP3 13660 -18.034 -1.077 29.146 1.00 0.00 WAT +ATOM 47289 H1 TIP3 13660 -17.994 -1.757 28.445 1.00 0.00 WAT +ATOM 47290 H2 TIP3 13660 -18.287 -0.290 28.635 1.00 0.00 WAT +ATOM 47291 OH2 TIP3 13661 -17.737 -2.552 26.629 1.00 0.00 WAT +ATOM 47292 H1 TIP3 13661 -17.210 -2.170 25.908 1.00 0.00 WAT +ATOM 47293 H2 TIP3 13661 -18.634 -2.619 26.235 1.00 0.00 WAT +ATOM 47294 OH2 TIP3 13662 -16.319 3.077 26.707 1.00 0.00 WAT +ATOM 47295 H1 TIP3 13662 -15.423 2.793 26.457 1.00 0.00 WAT +ATOM 47296 H2 TIP3 13662 -16.357 3.979 26.406 1.00 0.00 WAT +ATOM 47297 OH2 TIP3 13663 -11.585 0.772 31.764 1.00 0.00 WAT +ATOM 47298 H1 TIP3 13663 -11.400 -0.165 31.935 1.00 0.00 WAT +ATOM 47299 H2 TIP3 13663 -10.689 1.142 31.753 1.00 0.00 WAT +ATOM 47300 OH2 TIP3 13664 -10.611 3.557 30.226 1.00 0.00 WAT +ATOM 47301 H1 TIP3 13664 -10.951 4.193 29.573 1.00 0.00 WAT +ATOM 47302 H2 TIP3 13664 -9.700 3.414 29.898 1.00 0.00 WAT +ATOM 47303 OH2 TIP3 13665 -19.830 0.782 30.888 1.00 0.00 WAT +ATOM 47304 H1 TIP3 13665 -20.381 -0.017 30.966 1.00 0.00 WAT +ATOM 47305 H2 TIP3 13665 -19.013 0.414 30.519 1.00 0.00 WAT +ATOM 47306 OH2 TIP3 13666 -16.989 -5.275 26.968 1.00 0.00 WAT +ATOM 47307 H1 TIP3 13666 -17.175 -4.332 26.796 1.00 0.00 WAT +ATOM 47308 H2 TIP3 13666 -17.657 -5.712 26.402 1.00 0.00 WAT +ATOM 47309 OH2 TIP3 13667 -15.753 -0.670 30.732 1.00 0.00 WAT +ATOM 47310 H1 TIP3 13667 -16.061 -0.934 31.617 1.00 0.00 WAT +ATOM 47311 H2 TIP3 13667 -16.546 -0.917 30.208 1.00 0.00 WAT +ATOM 47312 OH2 TIP3 13668 -13.191 -1.640 29.612 1.00 0.00 WAT +ATOM 47313 H1 TIP3 13668 -14.081 -1.655 30.009 1.00 0.00 WAT +ATOM 47314 H2 TIP3 13668 -12.724 -2.303 30.156 1.00 0.00 WAT +ATOM 47315 OH2 TIP3 13669 -11.327 -3.165 31.326 1.00 0.00 WAT +ATOM 47316 H1 TIP3 13669 -11.494 -4.119 31.463 1.00 0.00 WAT +ATOM 47317 H2 TIP3 13669 -11.536 -2.773 32.194 1.00 0.00 WAT +ATOM 47318 OH2 TIP3 13670 -21.169 -1.775 30.780 1.00 0.00 WAT +ATOM 47319 H1 TIP3 13670 -21.257 -2.490 30.129 1.00 0.00 WAT +ATOM 47320 H2 TIP3 13670 -21.388 -2.245 31.608 1.00 0.00 WAT +ATOM 47321 OH2 TIP3 13671 -17.135 -5.785 29.774 1.00 0.00 WAT +ATOM 47322 H1 TIP3 13671 -16.555 -6.564 29.822 1.00 0.00 WAT +ATOM 47323 H2 TIP3 13671 -17.173 -5.651 28.806 1.00 0.00 WAT +ATOM 47324 OH2 TIP3 13672 -16.191 -3.896 31.607 1.00 0.00 WAT +ATOM 47325 H1 TIP3 13672 -16.473 -4.514 30.900 1.00 0.00 WAT +ATOM 47326 H2 TIP3 13672 -16.932 -3.275 31.646 1.00 0.00 WAT +ATOM 47327 OH2 TIP3 13673 -16.738 12.642 15.097 1.00 0.00 WAT +ATOM 47328 H1 TIP3 13673 -15.871 13.021 15.246 1.00 0.00 WAT +ATOM 47329 H2 TIP3 13673 -17.109 13.289 14.482 1.00 0.00 WAT +ATOM 47330 OH2 TIP3 13674 -22.913 7.414 14.507 1.00 0.00 WAT +ATOM 47331 H1 TIP3 13674 -21.925 7.412 14.495 1.00 0.00 WAT +ATOM 47332 H2 TIP3 13674 -23.033 6.644 13.918 1.00 0.00 WAT +ATOM 47333 OH2 TIP3 13675 -24.274 12.730 19.407 1.00 0.00 WAT +ATOM 47334 H1 TIP3 13675 -24.957 12.324 18.841 1.00 0.00 WAT +ATOM 47335 H2 TIP3 13675 -24.117 12.018 20.060 1.00 0.00 WAT +ATOM 47336 OH2 TIP3 13676 -23.862 10.744 21.375 1.00 0.00 WAT +ATOM 47337 H1 TIP3 13676 -24.128 9.862 21.675 1.00 0.00 WAT +ATOM 47338 H2 TIP3 13676 -23.481 11.092 22.195 1.00 0.00 WAT +ATOM 47339 OH2 TIP3 13677 -6.322 12.034 24.404 1.00 0.00 WAT +ATOM 47340 H1 TIP3 13677 -6.059 11.925 25.326 1.00 0.00 WAT +ATOM 47341 H2 TIP3 13677 -5.474 12.227 23.974 1.00 0.00 WAT +ATOM 47342 OH2 TIP3 13678 -6.416 11.597 27.348 1.00 0.00 WAT +ATOM 47343 H1 TIP3 13678 -6.907 10.849 26.961 1.00 0.00 WAT +ATOM 47344 H2 TIP3 13678 -5.826 11.106 27.944 1.00 0.00 WAT +ATOM 47345 OH2 TIP3 13679 -8.415 6.886 31.516 1.00 0.00 WAT +ATOM 47346 H1 TIP3 13679 -9.280 6.940 31.956 1.00 0.00 WAT +ATOM 47347 H2 TIP3 13679 -7.948 7.665 31.862 1.00 0.00 WAT +ATOM 47348 OH2 TIP3 13680 -6.800 6.175 24.210 1.00 0.00 WAT +ATOM 47349 H1 TIP3 13680 -6.207 5.702 23.605 1.00 0.00 WAT +ATOM 47350 H2 TIP3 13680 -6.609 7.102 23.972 1.00 0.00 WAT +ATOM 47351 OH2 TIP3 13681 -8.043 9.187 26.555 1.00 0.00 WAT +ATOM 47352 H1 TIP3 13681 -8.772 9.577 27.066 1.00 0.00 WAT +ATOM 47353 H2 TIP3 13681 -8.504 8.817 25.779 1.00 0.00 WAT +ATOM 47354 OH2 TIP3 13682 -23.758 3.951 23.581 1.00 0.00 WAT +ATOM 47355 H1 TIP3 13682 -23.303 3.812 22.747 1.00 0.00 WAT +ATOM 47356 H2 TIP3 13682 -22.998 3.842 24.185 1.00 0.00 WAT +ATOM 47357 OH2 TIP3 13683 -8.004 3.791 29.169 1.00 0.00 WAT +ATOM 47358 H1 TIP3 13683 -7.293 3.155 29.386 1.00 0.00 WAT +ATOM 47359 H2 TIP3 13683 -7.504 4.610 29.046 1.00 0.00 WAT +ATOM 47360 OH2 TIP3 13684 -6.469 1.892 30.437 1.00 0.00 WAT +ATOM 47361 H1 TIP3 13684 -7.236 1.325 30.206 1.00 0.00 WAT +ATOM 47362 H2 TIP3 13684 -5.737 1.248 30.402 1.00 0.00 WAT +ATOM 47363 OH2 TIP3 13685 -8.409 -0.133 23.742 1.00 0.00 WAT +ATOM 47364 H1 TIP3 13685 -7.654 0.450 23.667 1.00 0.00 WAT +ATOM 47365 H2 TIP3 13685 -8.702 0.039 24.655 1.00 0.00 WAT +ATOM 47366 OH2 TIP3 13686 -8.359 0.673 26.464 1.00 0.00 WAT +ATOM 47367 H1 TIP3 13686 -9.216 1.017 26.777 1.00 0.00 WAT +ATOM 47368 H2 TIP3 13686 -7.858 1.493 26.289 1.00 0.00 WAT +ATOM 47369 OH2 TIP3 13687 -23.841 -0.573 30.164 1.00 0.00 WAT +ATOM 47370 H1 TIP3 13687 -22.909 -0.847 30.219 1.00 0.00 WAT +ATOM 47371 H2 TIP3 13687 -24.295 -1.433 30.234 1.00 0.00 WAT +ATOM 47372 OH2 TIP3 13688 -5.875 -5.332 31.863 1.00 0.00 WAT +ATOM 47373 H1 TIP3 13688 -5.394 -5.991 31.323 1.00 0.00 WAT +ATOM 47374 H2 TIP3 13688 -5.789 -4.534 31.309 1.00 0.00 WAT +ATOM 47375 OH2 TIP3 13689 -23.105 -2.259 23.033 1.00 0.00 WAT +ATOM 47376 H1 TIP3 13689 -22.636 -3.116 23.007 1.00 0.00 WAT +ATOM 47377 H2 TIP3 13689 -22.382 -1.661 23.292 1.00 0.00 WAT +ATOM 47378 OH2 TIP3 13690 -24.514 0.438 24.038 1.00 0.00 WAT +ATOM 47379 H1 TIP3 13690 -23.997 0.286 23.240 1.00 0.00 WAT +ATOM 47380 H2 TIP3 13690 -24.125 1.239 24.408 1.00 0.00 WAT +ATOM 47381 OH2 TIP3 13691 -6.410 -3.197 30.111 1.00 0.00 WAT +ATOM 47382 H1 TIP3 13691 -7.288 -2.777 30.124 1.00 0.00 WAT +ATOM 47383 H2 TIP3 13691 -6.487 -3.735 29.302 1.00 0.00 WAT +ATOM 47384 OH2 TIP3 13692 -24.034 -2.901 18.098 1.00 0.00 WAT +ATOM 47385 H1 TIP3 13692 -24.878 -3.270 17.801 1.00 0.00 WAT +ATOM 47386 H2 TIP3 13692 -23.479 -3.097 17.320 1.00 0.00 WAT +ATOM 47387 OH2 TIP3 13693 -9.341 11.871 20.176 1.00 0.00 WAT +ATOM 47388 H1 TIP3 13693 -8.919 11.708 19.314 1.00 0.00 WAT +ATOM 47389 H2 TIP3 13693 -8.668 12.409 20.614 1.00 0.00 WAT +ATOM 47390 OH2 TIP3 13694 -24.000 -4.313 26.257 1.00 0.00 WAT +ATOM 47391 H1 TIP3 13694 -24.711 -4.657 26.813 1.00 0.00 WAT +ATOM 47392 H2 TIP3 13694 -24.503 -3.845 25.568 1.00 0.00 WAT +ATOM 47393 OH2 TIP3 13695 -22.003 8.689 30.807 1.00 0.00 WAT +ATOM 47394 H1 TIP3 13695 -22.796 8.765 30.253 1.00 0.00 WAT +ATOM 47395 H2 TIP3 13695 -22.375 8.682 31.700 1.00 0.00 WAT +ATOM 47396 OH2 TIP3 13696 -19.146 9.565 26.499 1.00 0.00 WAT +ATOM 47397 H1 TIP3 13696 -19.581 10.389 26.223 1.00 0.00 WAT +ATOM 47398 H2 TIP3 13696 -18.214 9.800 26.373 1.00 0.00 WAT +ATOM 47399 OH2 TIP3 13697 -14.607 10.911 29.511 1.00 0.00 WAT +ATOM 47400 H1 TIP3 13697 -14.551 10.833 30.481 1.00 0.00 WAT +ATOM 47401 H2 TIP3 13697 -13.825 11.469 29.321 1.00 0.00 WAT +ATOM 47402 OH2 TIP3 13698 -12.384 12.470 28.815 1.00 0.00 WAT +ATOM 47403 H1 TIP3 13698 -11.661 11.852 28.627 1.00 0.00 WAT +ATOM 47404 H2 TIP3 13698 -12.102 12.819 29.684 1.00 0.00 WAT +ATOM 47405 OH2 TIP3 13699 -7.581 -4.931 28.035 1.00 0.00 WAT +ATOM 47406 H1 TIP3 13699 -8.383 -4.803 27.500 1.00 0.00 WAT +ATOM 47407 H2 TIP3 13699 -7.299 -5.815 27.714 1.00 0.00 WAT +ATOM 47408 OH2 TIP3 13700 -21.800 12.658 26.909 1.00 0.00 WAT +ATOM 47409 H1 TIP3 13700 -22.383 13.300 26.463 1.00 0.00 WAT +ATOM 47410 H2 TIP3 13700 -22.114 12.747 27.819 1.00 0.00 WAT +ATOM 47411 OH2 TIP3 13701 -19.263 12.402 25.461 1.00 0.00 WAT +ATOM 47412 H1 TIP3 13701 -20.121 12.591 25.892 1.00 0.00 WAT +ATOM 47413 H2 TIP3 13701 -19.234 13.100 24.777 1.00 0.00 WAT +ATOM 47414 OH2 TIP3 13702 -14.552 12.439 25.012 1.00 0.00 WAT +ATOM 47415 H1 TIP3 13702 -14.927 12.879 24.223 1.00 0.00 WAT +ATOM 47416 H2 TIP3 13702 -14.469 13.199 25.619 1.00 0.00 WAT +ATOM 47417 OH2 TIP3 13703 -12.209 11.128 25.859 1.00 0.00 WAT +ATOM 47418 H1 TIP3 13703 -13.055 11.540 25.588 1.00 0.00 WAT +ATOM 47419 H2 TIP3 13703 -11.635 11.911 25.897 1.00 0.00 WAT +ATOM 47420 OH2 TIP3 13704 -9.675 12.908 26.167 1.00 0.00 WAT +ATOM 47421 H1 TIP3 13704 -9.716 13.863 25.948 1.00 0.00 WAT +ATOM 47422 H2 TIP3 13704 -9.359 12.558 25.316 1.00 0.00 WAT +ATOM 47423 OH2 TIP3 13705 -22.234 11.486 23.859 1.00 0.00 WAT +ATOM 47424 H1 TIP3 13705 -22.242 10.994 24.707 1.00 0.00 WAT +ATOM 47425 H2 TIP3 13705 -21.480 11.055 23.403 1.00 0.00 WAT +ATOM 47426 OH2 TIP3 13706 -20.231 10.222 22.392 1.00 0.00 WAT +ATOM 47427 H1 TIP3 13706 -20.343 9.273 22.591 1.00 0.00 WAT +ATOM 47428 H2 TIP3 13706 -19.299 10.383 22.611 1.00 0.00 WAT +ATOM 47429 OH2 TIP3 13707 -17.406 10.704 23.154 1.00 0.00 WAT +ATOM 47430 H1 TIP3 13707 -17.253 9.773 22.948 1.00 0.00 WAT +ATOM 47431 H2 TIP3 13707 -17.472 10.699 24.118 1.00 0.00 WAT +ATOM 47432 OH2 TIP3 13708 -8.771 -4.821 22.428 1.00 0.00 WAT +ATOM 47433 H1 TIP3 13708 -8.233 -4.893 21.634 1.00 0.00 WAT +ATOM 47434 H2 TIP3 13708 -9.642 -5.158 22.148 1.00 0.00 WAT +ATOM 47435 OH2 TIP3 13709 -21.884 -4.763 20.129 1.00 0.00 WAT +ATOM 47436 H1 TIP3 13709 -22.598 -4.791 19.464 1.00 0.00 WAT +ATOM 47437 H2 TIP3 13709 -21.315 -5.483 19.807 1.00 0.00 WAT +ATOM 47438 OH2 TIP3 13710 -17.336 -4.750 19.973 1.00 0.00 WAT +ATOM 47439 H1 TIP3 13710 -16.496 -4.513 19.558 1.00 0.00 WAT +ATOM 47440 H2 TIP3 13710 -17.074 -5.105 20.829 1.00 0.00 WAT +ATOM 47441 OH2 TIP3 13711 -11.525 -5.548 21.961 1.00 0.00 WAT +ATOM 47442 H1 TIP3 13711 -11.828 -5.006 21.232 1.00 0.00 WAT +ATOM 47443 H2 TIP3 13711 -12.218 -6.238 21.988 1.00 0.00 WAT +ATOM 47444 OH2 TIP3 13712 -22.772 10.782 17.149 1.00 0.00 WAT +ATOM 47445 H1 TIP3 13712 -23.326 10.567 16.383 1.00 0.00 WAT +ATOM 47446 H2 TIP3 13712 -22.811 11.750 17.127 1.00 0.00 WAT +ATOM 47447 OH2 TIP3 13713 -7.669 11.205 17.634 1.00 0.00 WAT +ATOM 47448 H1 TIP3 13713 -7.792 10.517 16.971 1.00 0.00 WAT +ATOM 47449 H2 TIP3 13713 -7.575 11.987 17.056 1.00 0.00 WAT +ATOM 47450 OH2 TIP3 13714 -21.959 -4.449 29.581 1.00 0.00 WAT +ATOM 47451 H1 TIP3 13714 -22.368 -5.268 29.916 1.00 0.00 WAT +ATOM 47452 H2 TIP3 13714 -21.032 -4.600 29.824 1.00 0.00 WAT +ATOM 47453 OH2 TIP3 13715 -19.566 -5.070 31.309 1.00 0.00 WAT +ATOM 47454 H1 TIP3 13715 -18.753 -5.426 30.896 1.00 0.00 WAT +ATOM 47455 H2 TIP3 13715 -19.923 -5.871 31.728 1.00 0.00 WAT +ATOM 47456 OH2 TIP3 13716 -21.479 11.754 13.913 1.00 0.00 WAT +ATOM 47457 H1 TIP3 13716 -21.569 11.973 14.848 1.00 0.00 WAT +ATOM 47458 H2 TIP3 13716 -20.682 11.193 13.895 1.00 0.00 WAT +ATOM 47459 OH2 TIP3 13717 -11.458 -5.962 31.467 1.00 0.00 WAT +ATOM 47460 H1 TIP3 13717 -11.410 -6.375 32.350 1.00 0.00 WAT +ATOM 47461 H2 TIP3 13717 -10.526 -6.003 31.182 1.00 0.00 WAT +ATOM 47462 OH2 TIP3 13718 -8.083 10.360 30.149 1.00 0.00 WAT +ATOM 47463 H1 TIP3 13718 -8.848 10.176 29.577 1.00 0.00 WAT +ATOM 47464 H2 TIP3 13718 -8.249 11.291 30.387 1.00 0.00 WAT +ATOM 47465 OH2 TIP3 13719 6.330 3.956 20.337 1.00 0.00 WAT +ATOM 47466 H1 TIP3 13719 6.473 4.912 20.367 1.00 0.00 WAT +ATOM 47467 H2 TIP3 13719 5.667 3.888 19.642 1.00 0.00 WAT +ATOM 47468 OH2 TIP3 13720 4.894 3.485 23.331 1.00 0.00 WAT +ATOM 47469 H1 TIP3 13720 4.965 2.935 24.126 1.00 0.00 WAT +ATOM 47470 H2 TIP3 13720 4.735 2.823 22.642 1.00 0.00 WAT +ATOM 47471 OH2 TIP3 13721 -2.609 3.131 25.019 1.00 0.00 WAT +ATOM 47472 H1 TIP3 13721 -2.595 2.374 25.631 1.00 0.00 WAT +ATOM 47473 H2 TIP3 13721 -1.870 3.655 25.363 1.00 0.00 WAT +ATOM 47474 OH2 TIP3 13722 8.661 6.256 21.637 1.00 0.00 WAT +ATOM 47475 H1 TIP3 13722 8.293 5.519 22.142 1.00 0.00 WAT +ATOM 47476 H2 TIP3 13722 8.908 6.867 22.343 1.00 0.00 WAT +ATOM 47477 OH2 TIP3 13723 -1.942 7.633 23.520 1.00 0.00 WAT +ATOM 47478 H1 TIP3 13723 -2.125 6.721 23.220 1.00 0.00 WAT +ATOM 47479 H2 TIP3 13723 -0.990 7.570 23.706 1.00 0.00 WAT +ATOM 47480 OH2 TIP3 13724 5.754 11.600 22.257 1.00 0.00 WAT +ATOM 47481 H1 TIP3 13724 6.310 10.857 21.952 1.00 0.00 WAT +ATOM 47482 H2 TIP3 13724 5.437 11.272 23.109 1.00 0.00 WAT +ATOM 47483 OH2 TIP3 13725 3.442 5.979 23.955 1.00 0.00 WAT +ATOM 47484 H1 TIP3 13725 3.782 5.292 23.352 1.00 0.00 WAT +ATOM 47485 H2 TIP3 13725 4.265 6.149 24.454 1.00 0.00 WAT +ATOM 47486 OH2 TIP3 13726 12.140 -2.496 24.592 1.00 0.00 WAT +ATOM 47487 H1 TIP3 13726 12.359 -1.861 25.292 1.00 0.00 WAT +ATOM 47488 H2 TIP3 13726 12.720 -2.185 23.873 1.00 0.00 WAT +ATOM 47489 OH2 TIP3 13727 6.729 0.346 24.368 1.00 0.00 WAT +ATOM 47490 H1 TIP3 13727 6.859 -0.615 24.428 1.00 0.00 WAT +ATOM 47491 H2 TIP3 13727 6.653 0.460 23.406 1.00 0.00 WAT +ATOM 47492 OH2 TIP3 13728 -0.108 -1.383 21.506 1.00 0.00 WAT +ATOM 47493 H1 TIP3 13728 -0.115 -0.785 20.761 1.00 0.00 WAT +ATOM 47494 H2 TIP3 13728 0.076 -2.257 21.111 1.00 0.00 WAT +ATOM 47495 OH2 TIP3 13729 7.662 -1.341 19.864 1.00 0.00 WAT +ATOM 47496 H1 TIP3 13729 8.272 -1.893 20.377 1.00 0.00 WAT +ATOM 47497 H2 TIP3 13729 8.203 -1.049 19.119 1.00 0.00 WAT +ATOM 47498 OH2 TIP3 13730 1.549 2.218 21.207 1.00 0.00 WAT +ATOM 47499 H1 TIP3 13730 2.359 1.856 21.620 1.00 0.00 WAT +ATOM 47500 H2 TIP3 13730 1.002 1.434 21.160 1.00 0.00 WAT +ATOM 47501 OH2 TIP3 13731 12.866 -1.090 27.073 1.00 0.00 WAT +ATOM 47502 H1 TIP3 13731 12.256 -0.391 26.774 1.00 0.00 WAT +ATOM 47503 H2 TIP3 13731 12.613 -1.156 28.003 1.00 0.00 WAT +ATOM 47504 OH2 TIP3 13732 -1.508 -2.711 25.522 1.00 0.00 WAT +ATOM 47505 H1 TIP3 13732 -1.816 -2.094 24.839 1.00 0.00 WAT +ATOM 47506 H2 TIP3 13732 -2.152 -2.564 26.242 1.00 0.00 WAT +ATOM 47507 OH2 TIP3 13733 6.034 6.906 18.962 1.00 0.00 WAT +ATOM 47508 H1 TIP3 13733 5.759 6.739 18.036 1.00 0.00 WAT +ATOM 47509 H2 TIP3 13733 5.524 7.711 19.157 1.00 0.00 WAT +ATOM 47510 OH2 TIP3 13734 1.425 5.002 25.776 1.00 0.00 WAT +ATOM 47511 H1 TIP3 13734 0.720 5.631 26.035 1.00 0.00 WAT +ATOM 47512 H2 TIP3 13734 2.083 5.589 25.356 1.00 0.00 WAT +ATOM 47513 OH2 TIP3 13735 9.578 -2.380 21.877 1.00 0.00 WAT +ATOM 47514 H1 TIP3 13735 8.986 -2.820 22.502 1.00 0.00 WAT +ATOM 47515 H2 TIP3 13735 9.886 -1.625 22.412 1.00 0.00 WAT +ATOM 47516 OH2 TIP3 13736 -1.838 -0.743 23.457 1.00 0.00 WAT +ATOM 47517 H1 TIP3 13736 -1.215 -0.168 23.958 1.00 0.00 WAT +ATOM 47518 H2 TIP3 13736 -1.192 -1.101 22.801 1.00 0.00 WAT +ATOM 47519 OH2 TIP3 13737 -0.584 6.879 26.510 1.00 0.00 WAT +ATOM 47520 H1 TIP3 13737 -0.577 7.802 26.196 1.00 0.00 WAT +ATOM 47521 H2 TIP3 13737 -1.426 6.864 26.999 1.00 0.00 WAT +ATOM 47522 OH2 TIP3 13738 9.211 8.041 24.212 1.00 0.00 WAT +ATOM 47523 H1 TIP3 13738 8.240 8.149 24.213 1.00 0.00 WAT +ATOM 47524 H2 TIP3 13738 9.482 8.890 23.818 1.00 0.00 WAT +ATOM 47525 OH2 TIP3 13739 9.526 -3.047 25.717 1.00 0.00 WAT +ATOM 47526 H1 TIP3 13739 8.744 -2.701 25.248 1.00 0.00 WAT +ATOM 47527 H2 TIP3 13739 10.237 -2.905 25.066 1.00 0.00 WAT +ATOM 47528 OH2 TIP3 13740 2.689 -5.317 22.877 1.00 0.00 WAT +ATOM 47529 H1 TIP3 13740 2.493 -6.207 22.550 1.00 0.00 WAT +ATOM 47530 H2 TIP3 13740 1.803 -4.916 22.898 1.00 0.00 WAT +ATOM 47531 OH2 TIP3 13741 7.552 9.944 20.756 1.00 0.00 WAT +ATOM 47532 H1 TIP3 13741 7.980 9.153 20.383 1.00 0.00 WAT +ATOM 47533 H2 TIP3 13741 8.198 10.641 20.551 1.00 0.00 WAT +ATOM 47534 OH2 TIP3 13742 9.004 7.739 19.060 1.00 0.00 WAT +ATOM 47535 H1 TIP3 13742 8.327 7.291 18.536 1.00 0.00 WAT +ATOM 47536 H2 TIP3 13742 9.009 7.204 19.870 1.00 0.00 WAT +ATOM 47537 OH2 TIP3 13743 10.517 6.662 27.861 1.00 0.00 WAT +ATOM 47538 H1 TIP3 13743 10.388 6.022 27.137 1.00 0.00 WAT +ATOM 47539 H2 TIP3 13743 10.607 7.502 27.372 1.00 0.00 WAT +ATOM 47540 OH2 TIP3 13744 5.107 3.676 17.417 1.00 0.00 WAT +ATOM 47541 H1 TIP3 13744 4.354 4.245 17.201 1.00 0.00 WAT +ATOM 47542 H2 TIP3 13744 5.702 3.916 16.696 1.00 0.00 WAT +ATOM 47543 OH2 TIP3 13745 12.277 2.848 25.762 1.00 0.00 WAT +ATOM 47544 H1 TIP3 13745 11.545 3.489 25.854 1.00 0.00 WAT +ATOM 47545 H2 TIP3 13745 12.742 3.210 24.981 1.00 0.00 WAT +ATOM 47546 OH2 TIP3 13746 8.100 2.102 27.476 1.00 0.00 WAT +ATOM 47547 H1 TIP3 13746 8.159 2.931 27.980 1.00 0.00 WAT +ATOM 47548 H2 TIP3 13746 7.477 2.392 26.786 1.00 0.00 WAT +ATOM 47549 OH2 TIP3 13747 -0.293 4.155 20.169 1.00 0.00 WAT +ATOM 47550 H1 TIP3 13747 -0.436 3.873 19.258 1.00 0.00 WAT +ATOM 47551 H2 TIP3 13747 0.447 3.586 20.459 1.00 0.00 WAT +ATOM 47552 OH2 TIP3 13748 1.160 7.665 23.159 1.00 0.00 WAT +ATOM 47553 H1 TIP3 13748 1.163 7.393 22.230 1.00 0.00 WAT +ATOM 47554 H2 TIP3 13748 1.995 7.270 23.478 1.00 0.00 WAT +ATOM 47555 OH2 TIP3 13749 0.439 3.163 23.836 1.00 0.00 WAT +ATOM 47556 H1 TIP3 13749 1.046 3.226 23.080 1.00 0.00 WAT +ATOM 47557 H2 TIP3 13749 0.840 3.792 24.469 1.00 0.00 WAT +ATOM 47558 OH2 TIP3 13750 6.395 8.661 24.470 1.00 0.00 WAT +ATOM 47559 H1 TIP3 13750 6.414 9.346 25.161 1.00 0.00 WAT +ATOM 47560 H2 TIP3 13750 6.177 7.848 24.958 1.00 0.00 WAT +ATOM 47561 OH2 TIP3 13751 1.296 7.434 28.758 1.00 0.00 WAT +ATOM 47562 H1 TIP3 13751 0.828 8.151 29.220 1.00 0.00 WAT +ATOM 47563 H2 TIP3 13751 0.679 7.227 28.034 1.00 0.00 WAT +ATOM 47564 OH2 TIP3 13752 -1.794 3.890 27.840 1.00 0.00 WAT +ATOM 47565 H1 TIP3 13752 -1.710 4.447 28.636 1.00 0.00 WAT +ATOM 47566 H2 TIP3 13752 -2.750 3.746 27.793 1.00 0.00 WAT +ATOM 47567 OH2 TIP3 13753 4.637 9.608 19.698 1.00 0.00 WAT +ATOM 47568 H1 TIP3 13753 5.175 9.953 20.418 1.00 0.00 WAT +ATOM 47569 H2 TIP3 13753 4.210 10.397 19.333 1.00 0.00 WAT +ATOM 47570 OH2 TIP3 13754 -0.622 9.662 29.544 1.00 0.00 WAT +ATOM 47571 H1 TIP3 13754 -0.709 9.700 28.576 1.00 0.00 WAT +ATOM 47572 H2 TIP3 13754 -1.494 9.351 29.846 1.00 0.00 WAT +ATOM 47573 OH2 TIP3 13755 -5.185 5.743 26.659 1.00 0.00 WAT +ATOM 47574 H1 TIP3 13755 -5.594 5.739 25.773 1.00 0.00 WAT +ATOM 47575 H2 TIP3 13755 -5.003 4.797 26.819 1.00 0.00 WAT +ATOM 47576 OH2 TIP3 13756 -5.125 8.639 23.639 1.00 0.00 WAT +ATOM 47577 H1 TIP3 13756 -4.190 8.380 23.617 1.00 0.00 WAT +ATOM 47578 H2 TIP3 13756 -5.110 9.298 24.349 1.00 0.00 WAT +ATOM 47579 OH2 TIP3 13757 13.285 9.289 29.375 1.00 0.00 WAT +ATOM 47580 H1 TIP3 13757 13.170 8.338 29.196 1.00 0.00 WAT +ATOM 47581 H2 TIP3 13757 12.376 9.531 29.658 1.00 0.00 WAT +ATOM 47582 OH2 TIP3 13758 3.948 8.573 28.231 1.00 0.00 WAT +ATOM 47583 H1 TIP3 13758 4.026 9.425 28.728 1.00 0.00 WAT +ATOM 47584 H2 TIP3 13758 3.047 8.299 28.479 1.00 0.00 WAT +ATOM 47585 OH2 TIP3 13759 4.204 12.345 18.108 1.00 0.00 WAT +ATOM 47586 H1 TIP3 13759 4.202 12.319 17.139 1.00 0.00 WAT +ATOM 47587 H2 TIP3 13759 4.323 13.282 18.318 1.00 0.00 WAT +ATOM 47588 OH2 TIP3 13760 -2.191 11.225 19.628 1.00 0.00 WAT +ATOM 47589 H1 TIP3 13760 -2.057 10.800 20.493 1.00 0.00 WAT +ATOM 47590 H2 TIP3 13760 -2.975 10.765 19.281 1.00 0.00 WAT +ATOM 47591 OH2 TIP3 13761 7.587 11.623 14.956 1.00 0.00 WAT +ATOM 47592 H1 TIP3 13761 8.061 10.903 14.525 1.00 0.00 WAT +ATOM 47593 H2 TIP3 13761 7.613 11.356 15.890 1.00 0.00 WAT +ATOM 47594 OH2 TIP3 13762 6.968 11.334 17.943 1.00 0.00 WAT +ATOM 47595 H1 TIP3 13762 6.003 11.354 18.071 1.00 0.00 WAT +ATOM 47596 H2 TIP3 13762 7.194 10.558 18.477 1.00 0.00 WAT +ATOM 47597 OH2 TIP3 13763 10.070 0.653 29.783 1.00 0.00 WAT +ATOM 47598 H1 TIP3 13763 9.562 1.045 29.058 1.00 0.00 WAT +ATOM 47599 H2 TIP3 13763 10.121 -0.280 29.498 1.00 0.00 WAT +ATOM 47600 OH2 TIP3 13764 -3.003 7.316 27.957 1.00 0.00 WAT +ATOM 47601 H1 TIP3 13764 -2.685 6.823 28.742 1.00 0.00 WAT +ATOM 47602 H2 TIP3 13764 -3.665 6.720 27.569 1.00 0.00 WAT +ATOM 47603 OH2 TIP3 13765 -0.012 -4.237 23.579 1.00 0.00 WAT +ATOM 47604 H1 TIP3 13765 -0.832 -4.296 23.058 1.00 0.00 WAT +ATOM 47605 H2 TIP3 13765 -0.265 -3.572 24.238 1.00 0.00 WAT +ATOM 47606 OH2 TIP3 13766 4.598 -4.597 27.390 1.00 0.00 WAT +ATOM 47607 H1 TIP3 13766 5.141 -5.188 27.947 1.00 0.00 WAT +ATOM 47608 H2 TIP3 13766 3.718 -5.015 27.422 1.00 0.00 WAT +ATOM 47609 OH2 TIP3 13767 7.787 -0.847 27.865 1.00 0.00 WAT +ATOM 47610 H1 TIP3 13767 7.154 -1.011 28.588 1.00 0.00 WAT +ATOM 47611 H2 TIP3 13767 7.695 0.106 27.695 1.00 0.00 WAT +ATOM 47612 OH2 TIP3 13768 -0.035 0.537 25.048 1.00 0.00 WAT +ATOM 47613 H1 TIP3 13768 -0.463 0.678 25.907 1.00 0.00 WAT +ATOM 47614 H2 TIP3 13768 0.156 1.447 24.749 1.00 0.00 WAT +ATOM 47615 OH2 TIP3 13769 5.505 1.057 18.578 1.00 0.00 WAT +ATOM 47616 H1 TIP3 13769 5.279 1.935 18.228 1.00 0.00 WAT +ATOM 47617 H2 TIP3 13769 6.114 0.703 17.917 1.00 0.00 WAT +ATOM 47618 OH2 TIP3 13770 4.822 1.420 30.128 1.00 0.00 WAT +ATOM 47619 H1 TIP3 13770 4.335 0.637 30.457 1.00 0.00 WAT +ATOM 47620 H2 TIP3 13770 5.710 1.271 30.503 1.00 0.00 WAT +ATOM 47621 OH2 TIP3 13771 6.448 0.584 21.374 1.00 0.00 WAT +ATOM 47622 H1 TIP3 13771 6.198 1.139 20.611 1.00 0.00 WAT +ATOM 47623 H2 TIP3 13771 6.696 -0.231 20.877 1.00 0.00 WAT +ATOM 47624 OH2 TIP3 13772 -2.692 0.720 26.955 1.00 0.00 WAT +ATOM 47625 H1 TIP3 13772 -2.185 1.040 27.713 1.00 0.00 WAT +ATOM 47626 H2 TIP3 13772 -2.879 -0.200 27.220 1.00 0.00 WAT +ATOM 47627 OH2 TIP3 13773 5.589 2.266 25.967 1.00 0.00 WAT +ATOM 47628 H1 TIP3 13773 6.033 1.567 25.434 1.00 0.00 WAT +ATOM 47629 H2 TIP3 13773 5.292 1.762 26.736 1.00 0.00 WAT +ATOM 47630 OH2 TIP3 13774 7.160 -2.644 23.974 1.00 0.00 WAT +ATOM 47631 H1 TIP3 13774 6.529 -2.632 24.722 1.00 0.00 WAT +ATOM 47632 H2 TIP3 13774 6.549 -2.980 23.278 1.00 0.00 WAT +ATOM 47633 OH2 TIP3 13775 10.207 13.142 30.683 1.00 0.00 WAT +ATOM 47634 H1 TIP3 13775 10.412 13.595 29.848 1.00 0.00 WAT +ATOM 47635 H2 TIP3 13775 10.917 13.458 31.265 1.00 0.00 WAT +ATOM 47636 OH2 TIP3 13776 -1.904 5.749 30.098 1.00 0.00 WAT +ATOM 47637 H1 TIP3 13776 -1.201 5.841 30.776 1.00 0.00 WAT +ATOM 47638 H2 TIP3 13776 -2.687 5.778 30.680 1.00 0.00 WAT +ATOM 47639 OH2 TIP3 13777 3.739 0.764 22.708 1.00 0.00 WAT +ATOM 47640 H1 TIP3 13777 4.484 0.355 22.236 1.00 0.00 WAT +ATOM 47641 H2 TIP3 13777 3.631 0.150 23.461 1.00 0.00 WAT +ATOM 47642 OH2 TIP3 13778 2.808 -0.748 25.073 1.00 0.00 WAT +ATOM 47643 H1 TIP3 13778 2.021 -0.189 25.088 1.00 0.00 WAT +ATOM 47644 H2 TIP3 13778 3.287 -0.494 25.885 1.00 0.00 WAT +ATOM 47645 OH2 TIP3 13779 2.525 5.648 16.752 1.00 0.00 WAT +ATOM 47646 H1 TIP3 13779 1.977 4.890 16.549 1.00 0.00 WAT +ATOM 47647 H2 TIP3 13779 2.658 5.635 17.710 1.00 0.00 WAT +ATOM 47648 OH2 TIP3 13780 10.154 4.776 25.706 1.00 0.00 WAT +ATOM 47649 H1 TIP3 13780 10.651 5.317 25.055 1.00 0.00 WAT +ATOM 47650 H2 TIP3 13780 9.310 4.635 25.230 1.00 0.00 WAT +ATOM 47651 OH2 TIP3 13781 4.511 5.655 28.277 1.00 0.00 WAT +ATOM 47652 H1 TIP3 13781 4.292 5.355 29.167 1.00 0.00 WAT +ATOM 47653 H2 TIP3 13781 4.296 6.601 28.310 1.00 0.00 WAT +ATOM 47654 OH2 TIP3 13782 -2.070 4.879 22.594 1.00 0.00 WAT +ATOM 47655 H1 TIP3 13782 -1.460 4.831 21.836 1.00 0.00 WAT +ATOM 47656 H2 TIP3 13782 -1.781 4.119 23.123 1.00 0.00 WAT +ATOM 47657 OH2 TIP3 13783 5.318 6.811 16.303 1.00 0.00 WAT +ATOM 47658 H1 TIP3 13783 5.126 7.750 16.144 1.00 0.00 WAT +ATOM 47659 H2 TIP3 13783 4.769 6.400 15.624 1.00 0.00 WAT +ATOM 47660 OH2 TIP3 13784 -4.774 3.275 28.050 1.00 0.00 WAT +ATOM 47661 H1 TIP3 13784 -4.499 2.864 28.895 1.00 0.00 WAT +ATOM 47662 H2 TIP3 13784 -5.222 2.544 27.603 1.00 0.00 WAT +ATOM 47663 OH2 TIP3 13785 2.290 2.764 30.000 1.00 0.00 WAT +ATOM 47664 H1 TIP3 13785 2.043 2.564 29.082 1.00 0.00 WAT +ATOM 47665 H2 TIP3 13785 3.228 2.494 29.986 1.00 0.00 WAT +ATOM 47666 OH2 TIP3 13786 6.825 8.175 27.780 1.00 0.00 WAT +ATOM 47667 H1 TIP3 13786 5.870 8.349 27.716 1.00 0.00 WAT +ATOM 47668 H2 TIP3 13786 7.015 8.473 28.686 1.00 0.00 WAT +ATOM 47669 OH2 TIP3 13787 12.830 6.320 29.322 1.00 0.00 WAT +ATOM 47670 H1 TIP3 13787 11.890 6.526 29.133 1.00 0.00 WAT +ATOM 47671 H2 TIP3 13787 13.154 6.128 28.420 1.00 0.00 WAT +ATOM 47672 OH2 TIP3 13788 7.843 4.146 24.007 1.00 0.00 WAT +ATOM 47673 H1 TIP3 13788 6.919 4.031 23.723 1.00 0.00 WAT +ATOM 47674 H2 TIP3 13788 8.280 3.458 23.464 1.00 0.00 WAT +ATOM 47675 OH2 TIP3 13789 0.339 8.316 20.133 1.00 0.00 WAT +ATOM 47676 H1 TIP3 13789 0.894 9.087 19.931 1.00 0.00 WAT +ATOM 47677 H2 TIP3 13789 -0.470 8.543 19.665 1.00 0.00 WAT +ATOM 47678 OH2 TIP3 13790 2.273 5.892 19.826 1.00 0.00 WAT +ATOM 47679 H1 TIP3 13790 2.099 6.839 19.741 1.00 0.00 WAT +ATOM 47680 H2 TIP3 13790 1.401 5.533 20.016 1.00 0.00 WAT +ATOM 47681 OH2 TIP3 13791 2.447 10.192 26.008 1.00 0.00 WAT +ATOM 47682 H1 TIP3 13791 2.950 10.992 25.774 1.00 0.00 WAT +ATOM 47683 H2 TIP3 13791 3.057 9.778 26.640 1.00 0.00 WAT +ATOM 47684 OH2 TIP3 13792 0.847 11.204 19.347 1.00 0.00 WAT +ATOM 47685 H1 TIP3 13792 -0.112 11.324 19.291 1.00 0.00 WAT +ATOM 47686 H2 TIP3 13792 1.160 12.112 19.517 1.00 0.00 WAT +ATOM 47687 OH2 TIP3 13793 5.872 5.979 25.568 1.00 0.00 WAT +ATOM 47688 H1 TIP3 13793 5.589 5.724 26.463 1.00 0.00 WAT +ATOM 47689 H2 TIP3 13793 6.601 5.360 25.402 1.00 0.00 WAT +ATOM 47690 OH2 TIP3 13794 8.817 10.547 27.962 1.00 0.00 WAT +ATOM 47691 H1 TIP3 13794 8.039 10.117 27.560 1.00 0.00 WAT +ATOM 47692 H2 TIP3 13794 8.880 11.374 27.449 1.00 0.00 WAT +ATOM 47693 OH2 TIP3 13795 -3.334 -2.043 27.644 1.00 0.00 WAT +ATOM 47694 H1 TIP3 13795 -4.253 -1.874 27.387 1.00 0.00 WAT +ATOM 47695 H2 TIP3 13795 -3.405 -2.935 28.031 1.00 0.00 WAT +ATOM 47696 OH2 TIP3 13796 -3.656 9.689 26.082 1.00 0.00 WAT +ATOM 47697 H1 TIP3 13796 -3.282 8.804 26.205 1.00 0.00 WAT +ATOM 47698 H2 TIP3 13796 -3.335 10.124 26.884 1.00 0.00 WAT +ATOM 47699 OH2 TIP3 13797 5.592 -2.180 26.251 1.00 0.00 WAT +ATOM 47700 H1 TIP3 13797 6.258 -1.995 26.926 1.00 0.00 WAT +ATOM 47701 H2 TIP3 13797 5.119 -2.954 26.618 1.00 0.00 WAT +ATOM 47702 OH2 TIP3 13798 4.196 9.564 16.468 1.00 0.00 WAT +ATOM 47703 H1 TIP3 13798 3.243 9.753 16.542 1.00 0.00 WAT +ATOM 47704 H2 TIP3 13798 4.435 10.030 15.667 1.00 0.00 WAT +ATOM 47705 OH2 TIP3 13799 3.985 0.126 27.604 1.00 0.00 WAT +ATOM 47706 H1 TIP3 13799 4.130 0.622 28.425 1.00 0.00 WAT +ATOM 47707 H2 TIP3 13799 4.544 -0.654 27.735 1.00 0.00 WAT +ATOM 47708 OH2 TIP3 13800 1.418 10.512 16.498 1.00 0.00 WAT +ATOM 47709 H1 TIP3 13800 1.296 11.300 15.938 1.00 0.00 WAT +ATOM 47710 H2 TIP3 13800 1.249 10.846 17.393 1.00 0.00 WAT +ATOM 47711 OH2 TIP3 13801 10.313 -1.867 28.457 1.00 0.00 WAT +ATOM 47712 H1 TIP3 13801 9.353 -1.737 28.320 1.00 0.00 WAT +ATOM 47713 H2 TIP3 13801 10.546 -2.114 27.548 1.00 0.00 WAT +ATOM 47714 OH2 TIP3 13802 8.833 1.980 22.406 1.00 0.00 WAT +ATOM 47715 H1 TIP3 13802 8.051 1.546 22.021 1.00 0.00 WAT +ATOM 47716 H2 TIP3 13802 9.307 1.230 22.817 1.00 0.00 WAT +ATOM 47717 OH2 TIP3 13803 9.841 10.825 23.872 1.00 0.00 WAT +ATOM 47718 H1 TIP3 13803 9.663 11.644 23.371 1.00 0.00 WAT +ATOM 47719 H2 TIP3 13803 10.767 10.971 24.121 1.00 0.00 WAT +ATOM 47720 OH2 TIP3 13804 -2.706 -4.421 22.670 1.00 0.00 WAT +ATOM 47721 H1 TIP3 13804 -2.873 -4.621 21.741 1.00 0.00 WAT +ATOM 47722 H2 TIP3 13804 -3.023 -5.234 23.103 1.00 0.00 WAT +ATOM 47723 OH2 TIP3 13805 -4.328 11.789 30.371 1.00 0.00 WAT +ATOM 47724 H1 TIP3 13805 -3.720 11.505 31.084 1.00 0.00 WAT +ATOM 47725 H2 TIP3 13805 -4.685 10.930 30.071 1.00 0.00 WAT +ATOM 47726 OH2 TIP3 13806 0.304 10.734 32.099 1.00 0.00 WAT +ATOM 47727 H1 TIP3 13806 1.106 10.219 32.282 1.00 0.00 WAT +ATOM 47728 H2 TIP3 13806 0.192 10.545 31.152 1.00 0.00 WAT +ATOM 47729 OH2 TIP3 13807 6.968 9.035 30.622 1.00 0.00 WAT +ATOM 47730 H1 TIP3 13807 6.527 8.257 31.004 1.00 0.00 WAT +ATOM 47731 H2 TIP3 13807 7.614 9.272 31.309 1.00 0.00 WAT +ATOM 47732 OH2 TIP3 13808 -4.325 5.360 31.417 1.00 0.00 WAT +ATOM 47733 H1 TIP3 13808 -4.198 4.462 31.069 1.00 0.00 WAT +ATOM 47734 H2 TIP3 13808 -5.068 5.670 30.864 1.00 0.00 WAT +ATOM 47735 OH2 TIP3 13809 2.281 5.530 30.770 1.00 0.00 WAT +ATOM 47736 H1 TIP3 13809 2.052 5.897 29.898 1.00 0.00 WAT +ATOM 47737 H2 TIP3 13809 2.390 4.577 30.580 1.00 0.00 WAT +ATOM 47738 OH2 TIP3 13810 7.681 5.182 28.148 1.00 0.00 WAT +ATOM 47739 H1 TIP3 13810 8.477 5.690 27.928 1.00 0.00 WAT +ATOM 47740 H2 TIP3 13810 7.008 5.882 28.112 1.00 0.00 WAT +ATOM 47741 OH2 TIP3 13811 -3.460 2.488 30.542 1.00 0.00 WAT +ATOM 47742 H1 TIP3 13811 -2.708 1.868 30.532 1.00 0.00 WAT +ATOM 47743 H2 TIP3 13811 -3.477 2.716 31.486 1.00 0.00 WAT +ATOM 47744 OH2 TIP3 13812 0.140 1.605 27.870 1.00 0.00 WAT +ATOM 47745 H1 TIP3 13812 -0.274 2.417 28.209 1.00 0.00 WAT +ATOM 47746 H2 TIP3 13812 0.905 1.969 27.383 1.00 0.00 WAT +ATOM 47747 OH2 TIP3 13813 5.521 4.337 31.581 1.00 0.00 WAT +ATOM 47748 H1 TIP3 13813 6.416 4.163 31.250 1.00 0.00 WAT +ATOM 47749 H2 TIP3 13813 5.282 3.475 31.947 1.00 0.00 WAT +ATOM 47750 OH2 TIP3 13814 0.783 -1.087 29.149 1.00 0.00 WAT +ATOM 47751 H1 TIP3 13814 0.885 -1.755 28.443 1.00 0.00 WAT +ATOM 47752 H2 TIP3 13814 0.630 -0.287 28.621 1.00 0.00 WAT +ATOM 47753 OH2 TIP3 13815 1.103 -2.555 26.597 1.00 0.00 WAT +ATOM 47754 H1 TIP3 13815 1.698 -2.137 25.944 1.00 0.00 WAT +ATOM 47755 H2 TIP3 13815 0.245 -2.566 26.130 1.00 0.00 WAT +ATOM 47756 OH2 TIP3 13816 2.648 2.829 27.011 1.00 0.00 WAT +ATOM 47757 H1 TIP3 13816 3.500 2.716 26.560 1.00 0.00 WAT +ATOM 47758 H2 TIP3 13816 2.390 3.717 26.693 1.00 0.00 WAT +ATOM 47759 OH2 TIP3 13817 7.268 0.770 31.810 1.00 0.00 WAT +ATOM 47760 H1 TIP3 13817 7.497 -0.169 31.886 1.00 0.00 WAT +ATOM 47761 H2 TIP3 13817 8.148 1.172 31.730 1.00 0.00 WAT +ATOM 47762 OH2 TIP3 13818 8.234 3.561 30.278 1.00 0.00 WAT +ATOM 47763 H1 TIP3 13818 7.896 4.175 29.591 1.00 0.00 WAT +ATOM 47764 H2 TIP3 13818 9.127 3.394 29.915 1.00 0.00 WAT +ATOM 47765 OH2 TIP3 13819 -1.010 0.787 30.912 1.00 0.00 WAT +ATOM 47766 H1 TIP3 13819 -1.515 -0.046 30.934 1.00 0.00 WAT +ATOM 47767 H2 TIP3 13819 -0.176 0.494 30.513 1.00 0.00 WAT +ATOM 47768 OH2 TIP3 13820 1.833 -5.272 27.029 1.00 0.00 WAT +ATOM 47769 H1 TIP3 13820 1.688 -4.335 26.790 1.00 0.00 WAT +ATOM 47770 H2 TIP3 13820 1.207 -5.720 26.423 1.00 0.00 WAT +ATOM 47771 OH2 TIP3 13821 3.115 -0.695 30.755 1.00 0.00 WAT +ATOM 47772 H1 TIP3 13821 2.772 -0.934 31.634 1.00 0.00 WAT +ATOM 47773 H2 TIP3 13821 2.333 -0.906 30.205 1.00 0.00 WAT +ATOM 47774 OH2 TIP3 13822 5.691 -1.630 29.630 1.00 0.00 WAT +ATOM 47775 H1 TIP3 13822 4.794 -1.633 30.007 1.00 0.00 WAT +ATOM 47776 H2 TIP3 13822 6.143 -2.297 30.182 1.00 0.00 WAT +ATOM 47777 OH2 TIP3 13823 7.510 -3.168 31.337 1.00 0.00 WAT +ATOM 47778 H1 TIP3 13823 7.367 -4.126 31.479 1.00 0.00 WAT +ATOM 47779 H2 TIP3 13823 7.332 -2.781 32.213 1.00 0.00 WAT +ATOM 47780 OH2 TIP3 13824 -2.350 -1.768 30.786 1.00 0.00 WAT +ATOM 47781 H1 TIP3 13824 -2.389 -2.487 30.133 1.00 0.00 WAT +ATOM 47782 H2 TIP3 13824 -2.543 -2.251 31.610 1.00 0.00 WAT +ATOM 47783 OH2 TIP3 13825 1.704 -5.791 29.783 1.00 0.00 WAT +ATOM 47784 H1 TIP3 13825 2.308 -6.552 29.813 1.00 0.00 WAT +ATOM 47785 H2 TIP3 13825 1.664 -5.644 28.812 1.00 0.00 WAT +ATOM 47786 OH2 TIP3 13826 2.633 -3.938 31.651 1.00 0.00 WAT +ATOM 47787 H1 TIP3 13826 2.398 -4.526 30.902 1.00 0.00 WAT +ATOM 47788 H2 TIP3 13826 1.944 -3.262 31.607 1.00 0.00 WAT +ATOM 47789 OH2 TIP3 13827 1.726 12.989 14.996 1.00 0.00 WAT +ATOM 47790 H1 TIP3 13827 2.672 12.963 15.191 1.00 0.00 WAT +ATOM 47791 H2 TIP3 13827 1.705 13.697 14.337 1.00 0.00 WAT +ATOM 47792 OH2 TIP3 13828 -5.633 12.668 19.396 1.00 0.00 WAT +ATOM 47793 H1 TIP3 13828 -6.139 12.170 18.734 1.00 0.00 WAT +ATOM 47794 H2 TIP3 13828 -5.295 11.945 19.958 1.00 0.00 WAT +ATOM 47795 OH2 TIP3 13829 -4.955 10.660 21.293 1.00 0.00 WAT +ATOM 47796 H1 TIP3 13829 -5.240 9.793 21.612 1.00 0.00 WAT +ATOM 47797 H2 TIP3 13829 -4.559 11.032 22.093 1.00 0.00 WAT +ATOM 47798 OH2 TIP3 13830 12.564 11.996 24.366 1.00 0.00 WAT +ATOM 47799 H1 TIP3 13830 12.720 11.964 25.322 1.00 0.00 WAT +ATOM 47800 H2 TIP3 13830 13.427 12.279 24.035 1.00 0.00 WAT +ATOM 47801 OH2 TIP3 13831 12.468 11.436 27.249 1.00 0.00 WAT +ATOM 47802 H1 TIP3 13831 11.932 10.701 26.895 1.00 0.00 WAT +ATOM 47803 H2 TIP3 13831 13.002 10.957 27.901 1.00 0.00 WAT +ATOM 47804 OH2 TIP3 13832 10.459 6.856 31.547 1.00 0.00 WAT +ATOM 47805 H1 TIP3 13832 9.569 6.942 31.929 1.00 0.00 WAT +ATOM 47806 H2 TIP3 13832 10.905 7.666 31.850 1.00 0.00 WAT +ATOM 47807 OH2 TIP3 13833 12.072 6.209 24.260 1.00 0.00 WAT +ATOM 47808 H1 TIP3 13833 12.639 5.721 23.643 1.00 0.00 WAT +ATOM 47809 H2 TIP3 13833 12.156 7.119 23.928 1.00 0.00 WAT +ATOM 47810 OH2 TIP3 13834 10.757 9.145 26.477 1.00 0.00 WAT +ATOM 47811 H1 TIP3 13834 10.021 9.555 26.968 1.00 0.00 WAT +ATOM 47812 H2 TIP3 13834 10.296 8.785 25.692 1.00 0.00 WAT +ATOM 47813 OH2 TIP3 13835 10.329 2.144 19.653 1.00 0.00 WAT +ATOM 47814 H1 TIP3 13835 10.202 1.189 19.525 1.00 0.00 WAT +ATOM 47815 H2 TIP3 13835 9.957 2.294 20.536 1.00 0.00 WAT +ATOM 47816 OH2 TIP3 13836 -4.882 3.946 23.509 1.00 0.00 WAT +ATOM 47817 H1 TIP3 13836 -4.514 4.074 22.623 1.00 0.00 WAT +ATOM 47818 H2 TIP3 13836 -4.047 3.823 24.011 1.00 0.00 WAT +ATOM 47819 OH2 TIP3 13837 10.846 3.783 29.204 1.00 0.00 WAT +ATOM 47820 H1 TIP3 13837 11.582 3.169 29.386 1.00 0.00 WAT +ATOM 47821 H2 TIP3 13837 11.304 4.614 29.020 1.00 0.00 WAT +ATOM 47822 OH2 TIP3 13838 12.404 1.889 30.420 1.00 0.00 WAT +ATOM 47823 H1 TIP3 13838 11.614 1.351 30.198 1.00 0.00 WAT +ATOM 47824 H2 TIP3 13838 13.110 1.214 30.397 1.00 0.00 WAT +ATOM 47825 OH2 TIP3 13839 10.185 -0.387 18.352 1.00 0.00 WAT +ATOM 47826 H1 TIP3 13839 10.169 -1.338 18.190 1.00 0.00 WAT +ATOM 47827 H2 TIP3 13839 10.687 -0.070 17.595 1.00 0.00 WAT +ATOM 47828 OH2 TIP3 13840 10.334 -0.066 23.666 1.00 0.00 WAT +ATOM 47829 H1 TIP3 13840 11.300 0.066 23.650 1.00 0.00 WAT +ATOM 47830 H2 TIP3 13840 10.168 -0.015 24.622 1.00 0.00 WAT +ATOM 47831 OH2 TIP3 13841 10.529 0.666 26.513 1.00 0.00 WAT +ATOM 47832 H1 TIP3 13841 9.661 1.032 26.764 1.00 0.00 WAT +ATOM 47833 H2 TIP3 13841 11.029 1.470 26.283 1.00 0.00 WAT +ATOM 47834 OH2 TIP3 13842 -5.008 -0.613 30.118 1.00 0.00 WAT +ATOM 47835 H1 TIP3 13842 -4.066 -0.847 30.209 1.00 0.00 WAT +ATOM 47836 H2 TIP3 13842 -5.431 -1.480 30.248 1.00 0.00 WAT +ATOM 47837 OH2 TIP3 13843 13.079 -5.190 31.794 1.00 0.00 WAT +ATOM 47838 H1 TIP3 13843 13.483 -5.880 31.236 1.00 0.00 WAT +ATOM 47839 H2 TIP3 13843 13.097 -4.413 31.202 1.00 0.00 WAT +ATOM 47840 OH2 TIP3 13844 10.841 -3.396 18.174 1.00 0.00 WAT +ATOM 47841 H1 TIP3 13844 10.618 -3.689 19.068 1.00 0.00 WAT +ATOM 47842 H2 TIP3 13844 10.089 -3.777 17.699 1.00 0.00 WAT +ATOM 47843 OH2 TIP3 13845 12.450 -3.142 30.035 1.00 0.00 WAT +ATOM 47844 H1 TIP3 13845 11.574 -2.718 30.090 1.00 0.00 WAT +ATOM 47845 H2 TIP3 13845 12.318 -3.693 29.241 1.00 0.00 WAT +ATOM 47846 OH2 TIP3 13846 9.472 12.077 20.037 1.00 0.00 WAT +ATOM 47847 H1 TIP3 13846 9.970 11.717 19.282 1.00 0.00 WAT +ATOM 47848 H2 TIP3 13846 10.175 12.363 20.631 1.00 0.00 WAT +ATOM 47849 OH2 TIP3 13847 -5.111 -4.269 26.356 1.00 0.00 WAT +ATOM 47850 H1 TIP3 13847 -5.780 -4.752 26.854 1.00 0.00 WAT +ATOM 47851 H2 TIP3 13847 -5.646 -3.927 25.612 1.00 0.00 WAT +ATOM 47852 OH2 TIP3 13848 -3.159 8.704 30.902 1.00 0.00 WAT +ATOM 47853 H1 TIP3 13848 -3.886 8.752 30.266 1.00 0.00 WAT +ATOM 47854 H2 TIP3 13848 -3.609 8.761 31.754 1.00 0.00 WAT +ATOM 47855 OH2 TIP3 13849 -0.326 9.736 26.563 1.00 0.00 WAT +ATOM 47856 H1 TIP3 13849 -0.587 10.605 26.208 1.00 0.00 WAT +ATOM 47857 H2 TIP3 13849 0.640 9.795 26.405 1.00 0.00 WAT +ATOM 47858 OH2 TIP3 13850 4.048 10.955 29.520 1.00 0.00 WAT +ATOM 47859 H1 TIP3 13850 3.847 11.178 30.437 1.00 0.00 WAT +ATOM 47860 H2 TIP3 13850 4.584 11.716 29.248 1.00 0.00 WAT +ATOM 47861 OH2 TIP3 13851 6.484 12.540 28.796 1.00 0.00 WAT +ATOM 47862 H1 TIP3 13851 7.059 11.775 28.652 1.00 0.00 WAT +ATOM 47863 H2 TIP3 13851 6.692 12.756 29.725 1.00 0.00 WAT +ATOM 47864 OH2 TIP3 13852 11.320 -4.909 28.015 1.00 0.00 WAT +ATOM 47865 H1 TIP3 13852 10.513 -4.717 27.504 1.00 0.00 WAT +ATOM 47866 H2 TIP3 13852 11.534 -5.806 27.685 1.00 0.00 WAT +ATOM 47867 OH2 TIP3 13853 -2.976 12.604 26.918 1.00 0.00 WAT +ATOM 47868 H1 TIP3 13853 -3.442 13.314 26.456 1.00 0.00 WAT +ATOM 47869 H2 TIP3 13853 -3.221 12.773 27.836 1.00 0.00 WAT +ATOM 47870 OH2 TIP3 13854 -0.443 12.437 25.429 1.00 0.00 WAT +ATOM 47871 H1 TIP3 13854 -1.249 12.693 25.906 1.00 0.00 WAT +ATOM 47872 H2 TIP3 13854 -0.338 13.152 24.773 1.00 0.00 WAT +ATOM 47873 OH2 TIP3 13855 4.284 12.433 25.005 1.00 0.00 WAT +ATOM 47874 H1 TIP3 13855 3.909 12.938 24.264 1.00 0.00 WAT +ATOM 47875 H2 TIP3 13855 4.315 13.118 25.705 1.00 0.00 WAT +ATOM 47876 OH2 TIP3 13856 6.632 11.172 25.919 1.00 0.00 WAT +ATOM 47877 H1 TIP3 13856 5.771 11.517 25.615 1.00 0.00 WAT +ATOM 47878 H2 TIP3 13856 7.159 11.982 25.944 1.00 0.00 WAT +ATOM 47879 OH2 TIP3 13857 9.203 12.911 26.139 1.00 0.00 WAT +ATOM 47880 H1 TIP3 13857 9.117 13.854 25.901 1.00 0.00 WAT +ATOM 47881 H2 TIP3 13857 9.433 12.527 25.276 1.00 0.00 WAT +ATOM 47882 OH2 TIP3 13858 -3.392 11.465 23.852 1.00 0.00 WAT +ATOM 47883 H1 TIP3 13858 -3.343 11.000 24.713 1.00 0.00 WAT +ATOM 47884 H2 TIP3 13858 -2.611 11.073 23.401 1.00 0.00 WAT +ATOM 47885 OH2 TIP3 13859 -1.386 10.251 22.352 1.00 0.00 WAT +ATOM 47886 H1 TIP3 13859 -1.434 9.294 22.534 1.00 0.00 WAT +ATOM 47887 H2 TIP3 13859 -0.447 10.439 22.562 1.00 0.00 WAT +ATOM 47888 OH2 TIP3 13860 1.377 10.700 23.180 1.00 0.00 WAT +ATOM 47889 H1 TIP3 13860 1.632 9.800 22.923 1.00 0.00 WAT +ATOM 47890 H2 TIP3 13860 1.509 10.656 24.141 1.00 0.00 WAT +ATOM 47891 OH2 TIP3 13861 5.012 -3.524 22.362 1.00 0.00 WAT +ATOM 47892 H1 TIP3 13861 4.160 -3.980 22.491 1.00 0.00 WAT +ATOM 47893 H2 TIP3 13861 5.247 -3.892 21.496 1.00 0.00 WAT +ATOM 47894 OH2 TIP3 13862 9.447 -5.419 22.756 1.00 0.00 WAT +ATOM 47895 H1 TIP3 13862 10.199 -4.988 22.330 1.00 0.00 WAT +ATOM 47896 H2 TIP3 13862 8.695 -5.169 22.201 1.00 0.00 WAT +ATOM 47897 OH2 TIP3 13863 12.355 -4.213 21.018 1.00 0.00 WAT +ATOM 47898 H1 TIP3 13863 12.143 -4.824 20.296 1.00 0.00 WAT +ATOM 47899 H2 TIP3 13863 11.825 -3.423 20.862 1.00 0.00 WAT +ATOM 47900 OH2 TIP3 13864 4.812 12.225 14.890 1.00 0.00 WAT +ATOM 47901 H1 TIP3 13864 5.788 12.262 14.839 1.00 0.00 WAT +ATOM 47902 H2 TIP3 13864 4.611 11.684 14.115 1.00 0.00 WAT +ATOM 47903 OH2 TIP3 13865 11.212 11.254 17.622 1.00 0.00 WAT +ATOM 47904 H1 TIP3 13865 11.205 10.422 17.120 1.00 0.00 WAT +ATOM 47905 H2 TIP3 13865 11.353 11.897 16.908 1.00 0.00 WAT +ATOM 47906 OH2 TIP3 13866 -3.123 -4.434 29.622 1.00 0.00 WAT +ATOM 47907 H1 TIP3 13866 -3.509 -5.279 29.913 1.00 0.00 WAT +ATOM 47908 H2 TIP3 13866 -2.181 -4.600 29.781 1.00 0.00 WAT +ATOM 47909 OH2 TIP3 13867 -0.701 -5.064 31.323 1.00 0.00 WAT +ATOM 47910 H1 TIP3 13867 0.120 -5.373 30.883 1.00 0.00 WAT +ATOM 47911 H2 TIP3 13867 -1.026 -5.900 31.686 1.00 0.00 WAT +ATOM 47912 OH2 TIP3 13868 7.403 -5.962 31.484 1.00 0.00 WAT +ATOM 47913 H1 TIP3 13868 7.453 -6.388 32.360 1.00 0.00 WAT +ATOM 47914 H2 TIP3 13868 8.334 -6.007 31.197 1.00 0.00 WAT +ATOM 47915 OH2 TIP3 13869 10.765 10.374 30.160 1.00 0.00 WAT +ATOM 47916 H1 TIP3 13869 10.033 10.171 29.548 1.00 0.00 WAT +ATOM 47917 H2 TIP3 13869 10.576 11.310 30.362 1.00 0.00 WAT +ATOM 47918 OH2 TIP3 13870 25.018 4.057 20.279 1.00 0.00 WAT +ATOM 47919 H1 TIP3 13870 24.958 5.020 20.363 1.00 0.00 WAT +ATOM 47920 H2 TIP3 13870 24.261 3.861 19.705 1.00 0.00 WAT +ATOM 47921 OH2 TIP3 13871 23.879 3.487 23.389 1.00 0.00 WAT +ATOM 47922 H1 TIP3 13871 23.801 2.922 24.176 1.00 0.00 WAT +ATOM 47923 H2 TIP3 13871 23.522 2.892 22.709 1.00 0.00 WAT +ATOM 47924 OH2 TIP3 13872 16.315 3.090 25.011 1.00 0.00 WAT +ATOM 47925 H1 TIP3 13872 16.272 2.349 25.641 1.00 0.00 WAT +ATOM 47926 H2 TIP3 13872 16.987 3.651 25.423 1.00 0.00 WAT +ATOM 47927 OH2 TIP3 13873 27.497 6.200 21.692 1.00 0.00 WAT +ATOM 47928 H1 TIP3 13873 27.107 5.482 22.214 1.00 0.00 WAT +ATOM 47929 H2 TIP3 13873 27.821 6.794 22.372 1.00 0.00 WAT +ATOM 47930 OH2 TIP3 13874 16.944 7.656 23.508 1.00 0.00 WAT +ATOM 47931 H1 TIP3 13874 16.703 6.759 23.194 1.00 0.00 WAT +ATOM 47932 H2 TIP3 13874 17.881 7.516 23.708 1.00 0.00 WAT +ATOM 47933 OH2 TIP3 13875 13.744 1.163 18.850 1.00 0.00 WAT +ATOM 47934 H1 TIP3 13875 13.330 2.006 19.085 1.00 0.00 WAT +ATOM 47935 H2 TIP3 13875 13.051 0.751 18.324 1.00 0.00 WAT +ATOM 47936 OH2 TIP3 13876 14.531 3.714 20.673 1.00 0.00 WAT +ATOM 47937 H1 TIP3 13876 14.583 2.844 21.095 1.00 0.00 WAT +ATOM 47938 H2 TIP3 13876 15.386 3.787 20.238 1.00 0.00 WAT +ATOM 47939 OH2 TIP3 13877 24.565 11.627 22.128 1.00 0.00 WAT +ATOM 47940 H1 TIP3 13877 25.135 10.869 21.896 1.00 0.00 WAT +ATOM 47941 H2 TIP3 13877 24.132 11.393 22.957 1.00 0.00 WAT +ATOM 47942 OH2 TIP3 13878 22.362 6.037 23.934 1.00 0.00 WAT +ATOM 47943 H1 TIP3 13878 22.639 5.268 23.410 1.00 0.00 WAT +ATOM 47944 H2 TIP3 13878 23.176 6.198 24.444 1.00 0.00 WAT +ATOM 47945 OH2 TIP3 13879 30.915 -2.321 24.487 1.00 0.00 WAT +ATOM 47946 H1 TIP3 13879 31.255 -1.975 25.335 1.00 0.00 WAT +ATOM 47947 H2 TIP3 13879 31.710 -2.322 23.919 1.00 0.00 WAT +ATOM 47948 OH2 TIP3 13880 25.701 0.336 24.416 1.00 0.00 WAT +ATOM 47949 H1 TIP3 13880 25.693 -0.629 24.533 1.00 0.00 WAT +ATOM 47950 H2 TIP3 13880 25.463 0.416 23.478 1.00 0.00 WAT +ATOM 47951 OH2 TIP3 13881 18.529 -1.706 21.362 1.00 0.00 WAT +ATOM 47952 H1 TIP3 13881 18.661 -0.837 20.939 1.00 0.00 WAT +ATOM 47953 H2 TIP3 13881 18.056 -2.177 20.664 1.00 0.00 WAT +ATOM 47954 OH2 TIP3 13882 26.206 -1.560 19.819 1.00 0.00 WAT +ATOM 47955 H1 TIP3 13882 26.841 -2.057 20.363 1.00 0.00 WAT +ATOM 47956 H2 TIP3 13882 26.769 -1.260 19.096 1.00 0.00 WAT +ATOM 47957 OH2 TIP3 13883 15.310 1.172 21.991 1.00 0.00 WAT +ATOM 47958 H1 TIP3 13883 15.855 0.626 22.577 1.00 0.00 WAT +ATOM 47959 H2 TIP3 13883 15.209 0.608 21.212 1.00 0.00 WAT +ATOM 47960 OH2 TIP3 13884 20.700 2.468 21.461 1.00 0.00 WAT +ATOM 47961 H1 TIP3 13884 21.322 1.852 21.890 1.00 0.00 WAT +ATOM 47962 H2 TIP3 13884 20.118 1.857 20.976 1.00 0.00 WAT +ATOM 47963 OH2 TIP3 13885 31.657 -1.040 26.956 1.00 0.00 WAT +ATOM 47964 H1 TIP3 13885 30.931 -0.396 26.838 1.00 0.00 WAT +ATOM 47965 H2 TIP3 13885 31.603 -1.168 27.916 1.00 0.00 WAT +ATOM 47966 OH2 TIP3 13886 17.358 -2.879 25.613 1.00 0.00 WAT +ATOM 47967 H1 TIP3 13886 16.989 -2.256 24.963 1.00 0.00 WAT +ATOM 47968 H2 TIP3 13886 16.714 -2.774 26.344 1.00 0.00 WAT +ATOM 47969 OH2 TIP3 13887 24.833 6.936 18.899 1.00 0.00 WAT +ATOM 47970 H1 TIP3 13887 24.358 6.688 18.105 1.00 0.00 WAT +ATOM 47971 H2 TIP3 13887 24.423 7.799 19.107 1.00 0.00 WAT +ATOM 47972 OH2 TIP3 13888 20.330 5.028 25.806 1.00 0.00 WAT +ATOM 47973 H1 TIP3 13888 19.564 5.578 26.080 1.00 0.00 WAT +ATOM 47974 H2 TIP3 13888 20.899 5.685 25.370 1.00 0.00 WAT +ATOM 47975 OH2 TIP3 13889 28.258 -2.179 21.863 1.00 0.00 WAT +ATOM 47976 H1 TIP3 13889 27.810 -2.814 22.438 1.00 0.00 WAT +ATOM 47977 H2 TIP3 13889 28.847 -1.721 22.473 1.00 0.00 WAT +ATOM 47978 OH2 TIP3 13890 17.042 -0.889 23.594 1.00 0.00 WAT +ATOM 47979 H1 TIP3 13890 17.661 -0.269 24.033 1.00 0.00 WAT +ATOM 47980 H2 TIP3 13890 17.604 -1.224 22.864 1.00 0.00 WAT +ATOM 47981 OH2 TIP3 13891 18.304 6.873 26.534 1.00 0.00 WAT +ATOM 47982 H1 TIP3 13891 18.252 7.795 26.221 1.00 0.00 WAT +ATOM 47983 H2 TIP3 13891 17.428 6.796 26.960 1.00 0.00 WAT +ATOM 47984 OH2 TIP3 13892 27.951 8.071 24.397 1.00 0.00 WAT +ATOM 47985 H1 TIP3 13892 27.028 7.874 24.196 1.00 0.00 WAT +ATOM 47986 H2 TIP3 13892 28.175 8.807 23.801 1.00 0.00 WAT +ATOM 47987 OH2 TIP3 13893 28.383 -3.035 25.724 1.00 0.00 WAT +ATOM 47988 H1 TIP3 13893 27.577 -2.716 25.274 1.00 0.00 WAT +ATOM 47989 H2 TIP3 13893 29.066 -2.922 25.042 1.00 0.00 WAT +ATOM 47990 OH2 TIP3 13894 21.519 -5.374 22.794 1.00 0.00 WAT +ATOM 47991 H1 TIP3 13894 21.283 -6.320 22.729 1.00 0.00 WAT +ATOM 47992 H2 TIP3 13894 20.688 -4.994 23.149 1.00 0.00 WAT +ATOM 47993 OH2 TIP3 13895 26.498 9.914 21.004 1.00 0.00 WAT +ATOM 47994 H1 TIP3 13895 26.868 9.187 20.468 1.00 0.00 WAT +ATOM 47995 H2 TIP3 13895 27.002 10.673 20.640 1.00 0.00 WAT +ATOM 47996 OH2 TIP3 13896 27.816 7.808 19.378 1.00 0.00 WAT +ATOM 47997 H1 TIP3 13896 27.266 7.407 18.690 1.00 0.00 WAT +ATOM 47998 H2 TIP3 13896 27.735 7.154 20.097 1.00 0.00 WAT +ATOM 47999 OH2 TIP3 13897 29.317 6.681 27.856 1.00 0.00 WAT +ATOM 48000 H1 TIP3 13897 29.243 5.990 27.173 1.00 0.00 WAT +ATOM 48001 H2 TIP3 13897 29.512 7.482 27.337 1.00 0.00 WAT +ATOM 48002 OH2 TIP3 13898 23.733 3.433 17.739 1.00 0.00 WAT +ATOM 48003 H1 TIP3 13898 22.993 3.914 17.349 1.00 0.00 WAT +ATOM 48004 H2 TIP3 13898 24.370 3.382 17.000 1.00 0.00 WAT +ATOM 48005 OH2 TIP3 13899 31.158 2.648 25.460 1.00 0.00 WAT +ATOM 48006 H1 TIP3 13899 30.534 3.326 25.779 1.00 0.00 WAT +ATOM 48007 H2 TIP3 13899 31.721 3.152 24.856 1.00 0.00 WAT +ATOM 48008 OH2 TIP3 13900 27.135 3.588 18.590 1.00 0.00 WAT +ATOM 48009 H1 TIP3 13900 26.408 3.797 19.223 1.00 0.00 WAT +ATOM 48010 H2 TIP3 13900 27.599 2.903 19.086 1.00 0.00 WAT +ATOM 48011 OH2 TIP3 13901 26.980 2.110 27.460 1.00 0.00 WAT +ATOM 48012 H1 TIP3 13901 26.992 2.913 28.007 1.00 0.00 WAT +ATOM 48013 H2 TIP3 13901 26.288 2.376 26.827 1.00 0.00 WAT +ATOM 48014 OH2 TIP3 13902 18.683 4.398 20.187 1.00 0.00 WAT +ATOM 48015 H1 TIP3 13902 18.354 4.057 19.340 1.00 0.00 WAT +ATOM 48016 H2 TIP3 13902 19.392 3.787 20.429 1.00 0.00 WAT +ATOM 48017 OH2 TIP3 13903 20.074 7.743 23.131 1.00 0.00 WAT +ATOM 48018 H1 TIP3 13903 19.932 7.457 22.209 1.00 0.00 WAT +ATOM 48019 H2 TIP3 13903 20.859 7.229 23.393 1.00 0.00 WAT +ATOM 48020 OH2 TIP3 13904 19.335 3.129 23.900 1.00 0.00 WAT +ATOM 48021 H1 TIP3 13904 19.867 3.221 23.088 1.00 0.00 WAT +ATOM 48022 H2 TIP3 13904 19.691 3.828 24.477 1.00 0.00 WAT +ATOM 48023 OH2 TIP3 13905 20.167 7.488 28.687 1.00 0.00 WAT +ATOM 48024 H1 TIP3 13905 19.656 8.107 29.241 1.00 0.00 WAT +ATOM 48025 H2 TIP3 13905 19.488 7.215 28.040 1.00 0.00 WAT +ATOM 48026 OH2 TIP3 13906 26.011 2.879 16.081 1.00 0.00 WAT +ATOM 48027 H1 TIP3 13906 26.559 3.184 16.829 1.00 0.00 WAT +ATOM 48028 H2 TIP3 13906 26.455 3.318 15.320 1.00 0.00 WAT +ATOM 48029 OH2 TIP3 13907 17.086 3.878 27.839 1.00 0.00 WAT +ATOM 48030 H1 TIP3 13907 17.133 4.437 28.636 1.00 0.00 WAT +ATOM 48031 H2 TIP3 13907 16.127 3.731 27.768 1.00 0.00 WAT +ATOM 48032 OH2 TIP3 13908 23.656 9.620 19.671 1.00 0.00 WAT +ATOM 48033 H1 TIP3 13908 23.895 10.074 20.482 1.00 0.00 WAT +ATOM 48034 H2 TIP3 13908 23.056 10.262 19.252 1.00 0.00 WAT +ATOM 48035 OH2 TIP3 13909 18.249 9.649 29.554 1.00 0.00 WAT +ATOM 48036 H1 TIP3 13909 18.120 9.658 28.590 1.00 0.00 WAT +ATOM 48037 H2 TIP3 13909 17.371 9.383 29.892 1.00 0.00 WAT +ATOM 48038 OH2 TIP3 13910 29.366 -5.336 15.910 1.00 0.00 WAT +ATOM 48039 H1 TIP3 13910 28.393 -5.343 15.791 1.00 0.00 WAT +ATOM 48040 H2 TIP3 13910 29.572 -4.435 15.629 1.00 0.00 WAT +ATOM 48041 OH2 TIP3 13911 30.927 8.855 14.148 1.00 0.00 WAT +ATOM 48042 H1 TIP3 13911 31.060 9.804 14.340 1.00 0.00 WAT +ATOM 48043 H2 TIP3 13911 31.809 8.487 14.348 1.00 0.00 WAT +ATOM 48044 OH2 TIP3 13912 13.716 5.755 26.666 1.00 0.00 WAT +ATOM 48045 H1 TIP3 13912 13.257 5.771 25.801 1.00 0.00 WAT +ATOM 48046 H2 TIP3 13912 13.833 4.798 26.814 1.00 0.00 WAT +ATOM 48047 OH2 TIP3 13913 13.758 8.702 23.593 1.00 0.00 WAT +ATOM 48048 H1 TIP3 13913 14.671 8.388 23.658 1.00 0.00 WAT +ATOM 48049 H2 TIP3 13913 13.699 9.291 24.357 1.00 0.00 WAT +ATOM 48050 OH2 TIP3 13914 32.133 9.285 29.358 1.00 0.00 WAT +ATOM 48051 H1 TIP3 13914 32.020 8.325 29.245 1.00 0.00 WAT +ATOM 48052 H2 TIP3 13914 31.232 9.542 29.658 1.00 0.00 WAT +ATOM 48053 OH2 TIP3 13915 22.773 8.545 28.147 1.00 0.00 WAT +ATOM 48054 H1 TIP3 13915 22.849 9.320 28.741 1.00 0.00 WAT +ATOM 48055 H2 TIP3 13915 21.883 8.209 28.387 1.00 0.00 WAT +ATOM 48056 OH2 TIP3 13916 23.198 12.312 18.136 1.00 0.00 WAT +ATOM 48057 H1 TIP3 13916 23.020 12.321 17.179 1.00 0.00 WAT +ATOM 48058 H2 TIP3 13916 23.127 13.245 18.382 1.00 0.00 WAT +ATOM 48059 OH2 TIP3 13917 16.608 11.195 19.622 1.00 0.00 WAT +ATOM 48060 H1 TIP3 13917 16.876 10.789 20.465 1.00 0.00 WAT +ATOM 48061 H2 TIP3 13917 15.735 10.794 19.499 1.00 0.00 WAT +ATOM 48062 OH2 TIP3 13918 26.399 11.786 15.323 1.00 0.00 WAT +ATOM 48063 H1 TIP3 13918 26.970 11.128 14.880 1.00 0.00 WAT +ATOM 48064 H2 TIP3 13918 26.305 11.394 16.212 1.00 0.00 WAT +ATOM 48065 OH2 TIP3 13919 25.796 11.191 18.181 1.00 0.00 WAT +ATOM 48066 H1 TIP3 13919 24.836 11.385 18.200 1.00 0.00 WAT +ATOM 48067 H2 TIP3 13919 25.806 10.374 18.697 1.00 0.00 WAT +ATOM 48068 OH2 TIP3 13920 28.974 0.676 29.748 1.00 0.00 WAT +ATOM 48069 H1 TIP3 13920 28.357 1.021 29.089 1.00 0.00 WAT +ATOM 48070 H2 TIP3 13920 28.983 -0.275 29.529 1.00 0.00 WAT +ATOM 48071 OH2 TIP3 13921 15.901 7.300 27.901 1.00 0.00 WAT +ATOM 48072 H1 TIP3 13921 16.164 6.845 28.728 1.00 0.00 WAT +ATOM 48073 H2 TIP3 13921 15.158 6.757 27.580 1.00 0.00 WAT +ATOM 48074 OH2 TIP3 13922 19.055 -4.216 23.681 1.00 0.00 WAT +ATOM 48075 H1 TIP3 13922 18.307 -4.256 23.065 1.00 0.00 WAT +ATOM 48076 H2 TIP3 13922 18.739 -3.543 24.308 1.00 0.00 WAT +ATOM 48077 OH2 TIP3 13923 23.469 -4.652 27.303 1.00 0.00 WAT +ATOM 48078 H1 TIP3 13923 23.985 -5.162 27.958 1.00 0.00 WAT +ATOM 48079 H2 TIP3 13923 22.558 -4.975 27.446 1.00 0.00 WAT +ATOM 48080 OH2 TIP3 13924 26.642 -0.822 27.872 1.00 0.00 WAT +ATOM 48081 H1 TIP3 13924 26.010 -1.035 28.585 1.00 0.00 WAT +ATOM 48082 H2 TIP3 13924 26.499 0.128 27.732 1.00 0.00 WAT +ATOM 48083 OH2 TIP3 13925 27.513 3.975 13.912 1.00 0.00 WAT +ATOM 48084 H1 TIP3 13925 27.302 3.916 12.960 1.00 0.00 WAT +ATOM 48085 H2 TIP3 13925 28.426 4.307 13.882 1.00 0.00 WAT +ATOM 48086 OH2 TIP3 13926 18.951 0.558 25.076 1.00 0.00 WAT +ATOM 48087 H1 TIP3 13926 18.373 0.660 25.852 1.00 0.00 WAT +ATOM 48088 H2 TIP3 13926 18.994 1.476 24.730 1.00 0.00 WAT +ATOM 48089 OH2 TIP3 13927 18.866 0.728 19.856 1.00 0.00 WAT +ATOM 48090 H1 TIP3 13927 17.908 0.697 19.700 1.00 0.00 WAT +ATOM 48091 H2 TIP3 13927 19.200 0.533 18.957 1.00 0.00 WAT +ATOM 48092 OH2 TIP3 13928 24.860 1.055 18.670 1.00 0.00 WAT +ATOM 48093 H1 TIP3 13928 24.327 1.850 18.473 1.00 0.00 WAT +ATOM 48094 H2 TIP3 13928 25.177 0.822 17.792 1.00 0.00 WAT +ATOM 48095 OH2 TIP3 13929 23.706 1.385 30.060 1.00 0.00 WAT +ATOM 48096 H1 TIP3 13929 23.179 0.664 30.461 1.00 0.00 WAT +ATOM 48097 H2 TIP3 13929 24.563 1.274 30.515 1.00 0.00 WAT +ATOM 48098 OH2 TIP3 13930 25.438 0.519 21.493 1.00 0.00 WAT +ATOM 48099 H1 TIP3 13930 25.150 1.074 20.745 1.00 0.00 WAT +ATOM 48100 H2 TIP3 13930 25.602 -0.313 20.995 1.00 0.00 WAT +ATOM 48101 OH2 TIP3 13931 16.311 0.722 26.913 1.00 0.00 WAT +ATOM 48102 H1 TIP3 13931 16.567 1.033 27.790 1.00 0.00 WAT +ATOM 48103 H2 TIP3 13931 15.940 -0.154 27.118 1.00 0.00 WAT +ATOM 48104 OH2 TIP3 13932 13.383 -1.508 20.527 1.00 0.00 WAT +ATOM 48105 H1 TIP3 13932 13.682 -1.908 21.366 1.00 0.00 WAT +ATOM 48106 H2 TIP3 13932 13.497 -2.216 19.890 1.00 0.00 WAT +ATOM 48107 OH2 TIP3 13933 24.491 2.272 25.994 1.00 0.00 WAT +ATOM 48108 H1 TIP3 13933 24.901 1.531 25.498 1.00 0.00 WAT +ATOM 48109 H2 TIP3 13933 24.093 1.803 26.746 1.00 0.00 WAT +ATOM 48110 OH2 TIP3 13934 21.670 -1.711 21.013 1.00 0.00 WAT +ATOM 48111 H1 TIP3 13934 20.725 -1.884 21.169 1.00 0.00 WAT +ATOM 48112 H2 TIP3 13934 22.064 -2.020 21.845 1.00 0.00 WAT +ATOM 48113 OH2 TIP3 13935 16.234 -0.749 19.452 1.00 0.00 WAT +ATOM 48114 H1 TIP3 13935 15.361 -0.327 19.347 1.00 0.00 WAT +ATOM 48115 H2 TIP3 13935 16.292 -1.293 18.663 1.00 0.00 WAT +ATOM 48116 OH2 TIP3 13936 19.717 0.082 17.194 1.00 0.00 WAT +ATOM 48117 H1 TIP3 13936 20.638 -0.207 17.326 1.00 0.00 WAT +ATOM 48118 H2 TIP3 13936 19.773 0.639 16.412 1.00 0.00 WAT +ATOM 48119 OH2 TIP3 13937 26.052 -2.653 24.009 1.00 0.00 WAT +ATOM 48120 H1 TIP3 13937 25.416 -2.643 24.760 1.00 0.00 WAT +ATOM 48121 H2 TIP3 13937 25.460 -2.986 23.310 1.00 0.00 WAT +ATOM 48122 OH2 TIP3 13938 29.066 13.119 30.653 1.00 0.00 WAT +ATOM 48123 H1 TIP3 13938 29.293 13.608 29.844 1.00 0.00 WAT +ATOM 48124 H2 TIP3 13938 29.714 13.468 31.287 1.00 0.00 WAT +ATOM 48125 OH2 TIP3 13939 16.973 5.779 30.108 1.00 0.00 WAT +ATOM 48126 H1 TIP3 13939 17.641 5.826 30.826 1.00 0.00 WAT +ATOM 48127 H2 TIP3 13939 16.163 5.738 30.653 1.00 0.00 WAT +ATOM 48128 OH2 TIP3 13940 22.757 0.803 22.846 1.00 0.00 WAT +ATOM 48129 H1 TIP3 13940 23.358 0.255 22.323 1.00 0.00 WAT +ATOM 48130 H2 TIP3 13940 22.500 0.189 23.566 1.00 0.00 WAT +ATOM 48131 OH2 TIP3 13941 21.687 -0.712 25.022 1.00 0.00 WAT +ATOM 48132 H1 TIP3 13941 20.870 -0.188 25.084 1.00 0.00 WAT +ATOM 48133 H2 TIP3 13941 22.146 -0.503 25.861 1.00 0.00 WAT +ATOM 48134 OH2 TIP3 13942 29.086 4.726 25.692 1.00 0.00 WAT +ATOM 48135 H1 TIP3 13942 29.512 5.291 25.018 1.00 0.00 WAT +ATOM 48136 H2 TIP3 13942 28.187 4.615 25.331 1.00 0.00 WAT +ATOM 48137 OH2 TIP3 13943 23.551 5.711 28.220 1.00 0.00 WAT +ATOM 48138 H1 TIP3 13943 23.188 5.241 28.989 1.00 0.00 WAT +ATOM 48139 H2 TIP3 13943 23.068 6.550 28.266 1.00 0.00 WAT +ATOM 48140 OH2 TIP3 13944 27.077 0.224 16.034 1.00 0.00 WAT +ATOM 48141 H1 TIP3 13944 27.187 -0.128 16.929 1.00 0.00 WAT +ATOM 48142 H2 TIP3 13944 26.463 0.969 16.139 1.00 0.00 WAT +ATOM 48143 OH2 TIP3 13945 16.981 4.955 22.615 1.00 0.00 WAT +ATOM 48144 H1 TIP3 13945 17.557 4.861 21.836 1.00 0.00 WAT +ATOM 48145 H2 TIP3 13945 17.064 4.088 23.042 1.00 0.00 WAT +ATOM 48146 OH2 TIP3 13946 14.192 3.275 28.049 1.00 0.00 WAT +ATOM 48147 H1 TIP3 13946 14.343 2.836 28.910 1.00 0.00 WAT +ATOM 48148 H2 TIP3 13946 13.575 2.674 27.601 1.00 0.00 WAT +ATOM 48149 OH2 TIP3 13947 21.161 2.800 30.025 1.00 0.00 WAT +ATOM 48150 H1 TIP3 13947 20.812 2.517 29.163 1.00 0.00 WAT +ATOM 48151 H2 TIP3 13947 22.087 2.510 29.955 1.00 0.00 WAT +ATOM 48152 OH2 TIP3 13948 25.647 8.699 27.678 1.00 0.00 WAT +ATOM 48153 H1 TIP3 13948 24.729 8.361 27.648 1.00 0.00 WAT +ATOM 48154 H2 TIP3 13948 25.857 8.507 28.614 1.00 0.00 WAT +ATOM 48155 OH2 TIP3 13949 31.201 0.252 16.450 1.00 0.00 WAT +ATOM 48156 H1 TIP3 13949 30.744 -0.134 15.690 1.00 0.00 WAT +ATOM 48157 H2 TIP3 13949 31.227 1.204 16.220 1.00 0.00 WAT +ATOM 48158 OH2 TIP3 13950 31.668 6.317 29.332 1.00 0.00 WAT +ATOM 48159 H1 TIP3 13950 30.728 6.531 29.156 1.00 0.00 WAT +ATOM 48160 H2 TIP3 13950 32.005 6.155 28.432 1.00 0.00 WAT +ATOM 48161 OH2 TIP3 13951 29.429 8.852 16.637 1.00 0.00 WAT +ATOM 48162 H1 TIP3 13951 29.272 8.062 17.172 1.00 0.00 WAT +ATOM 48163 H2 TIP3 13951 29.978 8.528 15.909 1.00 0.00 WAT +ATOM 48164 OH2 TIP3 13952 26.634 4.262 23.967 1.00 0.00 WAT +ATOM 48165 H1 TIP3 13952 25.697 4.029 23.795 1.00 0.00 WAT +ATOM 48166 H2 TIP3 13952 27.075 3.496 23.555 1.00 0.00 WAT +ATOM 48167 OH2 TIP3 13953 19.380 8.226 20.237 1.00 0.00 WAT +ATOM 48168 H1 TIP3 13953 19.833 8.971 19.817 1.00 0.00 WAT +ATOM 48169 H2 TIP3 13953 18.613 8.101 19.659 1.00 0.00 WAT +ATOM 48170 OH2 TIP3 13954 21.347 10.231 25.997 1.00 0.00 WAT +ATOM 48171 H1 TIP3 13954 21.810 11.068 25.868 1.00 0.00 WAT +ATOM 48172 H2 TIP3 13954 21.891 9.792 26.672 1.00 0.00 WAT +ATOM 48173 OH2 TIP3 13955 19.764 11.137 19.308 1.00 0.00 WAT +ATOM 48174 H1 TIP3 13955 18.799 11.183 19.279 1.00 0.00 WAT +ATOM 48175 H2 TIP3 13955 20.010 12.066 19.469 1.00 0.00 WAT +ATOM 48176 OH2 TIP3 13956 24.851 6.295 25.439 1.00 0.00 WAT +ATOM 48177 H1 TIP3 13956 24.479 6.009 26.290 1.00 0.00 WAT +ATOM 48178 H2 TIP3 13956 25.484 5.588 25.244 1.00 0.00 WAT +ATOM 48179 OH2 TIP3 13957 26.780 7.287 14.509 1.00 0.00 WAT +ATOM 48180 H1 TIP3 13957 27.194 6.879 15.294 1.00 0.00 WAT +ATOM 48181 H2 TIP3 13957 25.848 7.137 14.709 1.00 0.00 WAT +ATOM 48182 OH2 TIP3 13958 27.759 10.484 27.838 1.00 0.00 WAT +ATOM 48183 H1 TIP3 13958 26.898 10.015 27.837 1.00 0.00 WAT +ATOM 48184 H2 TIP3 13958 27.594 11.372 27.471 1.00 0.00 WAT +ATOM 48185 OH2 TIP3 13959 31.630 11.548 15.036 1.00 0.00 WAT +ATOM 48186 H1 TIP3 13959 32.307 12.204 14.798 1.00 0.00 WAT +ATOM 48187 H2 TIP3 13959 30.850 12.134 15.057 1.00 0.00 WAT +ATOM 48188 OH2 TIP3 13960 15.511 -2.077 27.645 1.00 0.00 WAT +ATOM 48189 H1 TIP3 13960 14.599 -1.808 27.413 1.00 0.00 WAT +ATOM 48190 H2 TIP3 13960 15.356 -2.934 28.080 1.00 0.00 WAT +ATOM 48191 OH2 TIP3 13961 27.820 5.879 16.840 1.00 0.00 WAT +ATOM 48192 H1 TIP3 13961 27.550 5.158 17.436 1.00 0.00 WAT +ATOM 48193 H2 TIP3 13961 28.785 5.878 16.956 1.00 0.00 WAT +ATOM 48194 OH2 TIP3 13962 15.294 9.687 26.061 1.00 0.00 WAT +ATOM 48195 H1 TIP3 13962 15.544 8.767 26.236 1.00 0.00 WAT +ATOM 48196 H2 TIP3 13962 15.473 10.083 26.922 1.00 0.00 WAT +ATOM 48197 OH2 TIP3 13963 24.503 -2.244 26.197 1.00 0.00 WAT +ATOM 48198 H1 TIP3 13963 25.056 -1.970 26.942 1.00 0.00 WAT +ATOM 48199 H2 TIP3 13963 23.969 -2.964 26.592 1.00 0.00 WAT +ATOM 48200 OH2 TIP3 13964 23.097 9.592 16.464 1.00 0.00 WAT +ATOM 48201 H1 TIP3 13964 22.141 9.769 16.530 1.00 0.00 WAT +ATOM 48202 H2 TIP3 13964 23.311 10.019 15.623 1.00 0.00 WAT +ATOM 48203 OH2 TIP3 13965 22.408 -0.635 18.411 1.00 0.00 WAT +ATOM 48204 H1 TIP3 13965 23.314 -0.328 18.565 1.00 0.00 WAT +ATOM 48205 H2 TIP3 13965 22.130 -0.914 19.305 1.00 0.00 WAT +ATOM 48206 OH2 TIP3 13966 22.961 0.136 27.548 1.00 0.00 WAT +ATOM 48207 H1 TIP3 13966 22.920 0.634 28.383 1.00 0.00 WAT +ATOM 48208 H2 TIP3 13966 23.402 -0.672 27.842 1.00 0.00 WAT +ATOM 48209 OH2 TIP3 13967 23.411 -3.654 19.271 1.00 0.00 WAT +ATOM 48210 H1 TIP3 13967 23.046 -2.971 19.854 1.00 0.00 WAT +ATOM 48211 H2 TIP3 13967 24.132 -3.181 18.828 1.00 0.00 WAT +ATOM 48212 OH2 TIP3 13968 20.273 10.378 16.303 1.00 0.00 WAT +ATOM 48213 H1 TIP3 13968 20.083 11.187 15.796 1.00 0.00 WAT +ATOM 48214 H2 TIP3 13968 19.882 10.572 17.165 1.00 0.00 WAT +ATOM 48215 OH2 TIP3 13969 18.540 -2.777 16.028 1.00 0.00 WAT +ATOM 48216 H1 TIP3 13969 18.790 -1.854 16.115 1.00 0.00 WAT +ATOM 48217 H2 TIP3 13969 19.416 -3.202 16.034 1.00 0.00 WAT +ATOM 48218 OH2 TIP3 13970 29.168 -1.858 28.430 1.00 0.00 WAT +ATOM 48219 H1 TIP3 13970 28.203 -1.731 28.344 1.00 0.00 WAT +ATOM 48220 H2 TIP3 13970 29.354 -2.147 27.525 1.00 0.00 WAT +ATOM 48221 OH2 TIP3 13971 27.697 1.959 22.437 1.00 0.00 WAT +ATOM 48222 H1 TIP3 13971 26.863 1.491 22.223 1.00 0.00 WAT +ATOM 48223 H2 TIP3 13971 28.191 1.277 22.927 1.00 0.00 WAT +ATOM 48224 OH2 TIP3 13972 28.483 10.852 23.943 1.00 0.00 WAT +ATOM 48225 H1 TIP3 13972 28.483 11.637 23.349 1.00 0.00 WAT +ATOM 48226 H2 TIP3 13972 29.435 10.835 24.153 1.00 0.00 WAT +ATOM 48227 OH2 TIP3 13973 16.199 -4.821 22.364 1.00 0.00 WAT +ATOM 48228 H1 TIP3 13973 15.803 -5.280 21.618 1.00 0.00 WAT +ATOM 48229 H2 TIP3 13973 16.040 -5.485 23.059 1.00 0.00 WAT +ATOM 48230 OH2 TIP3 13974 14.605 11.732 30.278 1.00 0.00 WAT +ATOM 48231 H1 TIP3 13974 15.185 11.448 31.011 1.00 0.00 WAT +ATOM 48232 H2 TIP3 13974 14.215 10.879 30.003 1.00 0.00 WAT +ATOM 48233 OH2 TIP3 13975 19.307 10.832 32.030 1.00 0.00 WAT +ATOM 48234 H1 TIP3 13975 19.958 10.174 32.313 1.00 0.00 WAT +ATOM 48235 H2 TIP3 13975 19.062 10.497 31.152 1.00 0.00 WAT +ATOM 48236 OH2 TIP3 13976 23.221 10.042 13.595 1.00 0.00 WAT +ATOM 48237 H1 TIP3 13976 22.487 9.413 13.543 1.00 0.00 WAT +ATOM 48238 H2 TIP3 13976 23.846 9.690 12.947 1.00 0.00 WAT +ATOM 48239 OH2 TIP3 13977 25.879 8.988 30.579 1.00 0.00 WAT +ATOM 48240 H1 TIP3 13977 25.381 8.270 31.017 1.00 0.00 WAT +ATOM 48241 H2 TIP3 13977 26.465 9.279 31.303 1.00 0.00 WAT +ATOM 48242 OH2 TIP3 13978 28.052 9.979 13.829 1.00 0.00 WAT +ATOM 48243 H1 TIP3 13978 28.285 9.156 14.281 1.00 0.00 WAT +ATOM 48244 H2 TIP3 13978 28.731 10.040 13.134 1.00 0.00 WAT +ATOM 48245 OH2 TIP3 13979 14.553 5.369 31.393 1.00 0.00 WAT +ATOM 48246 H1 TIP3 13979 14.641 4.452 31.084 1.00 0.00 WAT +ATOM 48247 H2 TIP3 13979 13.783 5.667 30.872 1.00 0.00 WAT +ATOM 48248 OH2 TIP3 13980 21.312 5.581 30.660 1.00 0.00 WAT +ATOM 48249 H1 TIP3 13980 20.837 5.854 29.861 1.00 0.00 WAT +ATOM 48250 H2 TIP3 13980 21.289 4.604 30.605 1.00 0.00 WAT +ATOM 48251 OH2 TIP3 13981 26.562 5.119 28.072 1.00 0.00 WAT +ATOM 48252 H1 TIP3 13981 27.282 5.762 27.987 1.00 0.00 WAT +ATOM 48253 H2 TIP3 13981 25.767 5.673 28.142 1.00 0.00 WAT +ATOM 48254 OH2 TIP3 13982 15.415 2.501 30.575 1.00 0.00 WAT +ATOM 48255 H1 TIP3 13982 16.149 1.862 30.578 1.00 0.00 WAT +ATOM 48256 H2 TIP3 13982 15.377 2.721 31.522 1.00 0.00 WAT +ATOM 48257 OH2 TIP3 13983 19.077 1.608 27.988 1.00 0.00 WAT +ATOM 48258 H1 TIP3 13983 18.535 2.377 28.240 1.00 0.00 WAT +ATOM 48259 H2 TIP3 13983 19.714 2.010 27.372 1.00 0.00 WAT +ATOM 48260 OH2 TIP3 13984 24.377 4.325 31.498 1.00 0.00 WAT +ATOM 48261 H1 TIP3 13984 25.306 4.117 31.332 1.00 0.00 WAT +ATOM 48262 H2 TIP3 13984 24.089 3.547 31.999 1.00 0.00 WAT +ATOM 48263 OH2 TIP3 13985 30.277 4.334 13.304 1.00 0.00 WAT +ATOM 48264 H1 TIP3 13985 30.130 4.051 12.385 1.00 0.00 WAT +ATOM 48265 H2 TIP3 13985 30.246 5.305 13.173 1.00 0.00 WAT +ATOM 48266 OH2 TIP3 13986 19.690 -1.064 29.140 1.00 0.00 WAT +ATOM 48267 H1 TIP3 13986 19.721 -1.735 28.434 1.00 0.00 WAT +ATOM 48268 H2 TIP3 13986 19.432 -0.266 28.646 1.00 0.00 WAT +ATOM 48269 OH2 TIP3 13987 19.989 -2.607 26.583 1.00 0.00 WAT +ATOM 48270 H1 TIP3 13987 20.499 -2.094 25.932 1.00 0.00 WAT +ATOM 48271 H2 TIP3 13987 19.077 -2.572 26.231 1.00 0.00 WAT +ATOM 48272 OH2 TIP3 13988 21.551 2.850 27.014 1.00 0.00 WAT +ATOM 48273 H1 TIP3 13988 22.365 2.751 26.505 1.00 0.00 WAT +ATOM 48274 H2 TIP3 13988 21.219 3.711 26.691 1.00 0.00 WAT +ATOM 48275 OH2 TIP3 13989 26.138 0.755 31.719 1.00 0.00 WAT +ATOM 48276 H1 TIP3 13989 26.297 -0.164 31.994 1.00 0.00 WAT +ATOM 48277 H2 TIP3 13989 27.027 1.133 31.787 1.00 0.00 WAT +ATOM 48278 OH2 TIP3 13990 27.141 3.561 30.268 1.00 0.00 WAT +ATOM 48279 H1 TIP3 13990 26.748 4.150 29.594 1.00 0.00 WAT +ATOM 48280 H2 TIP3 13990 28.003 3.375 29.855 1.00 0.00 WAT +ATOM 48281 OH2 TIP3 13991 17.860 0.782 30.902 1.00 0.00 WAT +ATOM 48282 H1 TIP3 13991 17.331 -0.033 30.956 1.00 0.00 WAT +ATOM 48283 H2 TIP3 13991 18.690 0.453 30.526 1.00 0.00 WAT +ATOM 48284 OH2 TIP3 13992 20.737 -5.278 26.944 1.00 0.00 WAT +ATOM 48285 H1 TIP3 13992 20.531 -4.331 26.794 1.00 0.00 WAT +ATOM 48286 H2 TIP3 13992 20.027 -5.711 26.430 1.00 0.00 WAT +ATOM 48287 OH2 TIP3 13993 21.988 -0.712 30.729 1.00 0.00 WAT +ATOM 48288 H1 TIP3 13993 21.649 -0.908 31.621 1.00 0.00 WAT +ATOM 48289 H2 TIP3 13993 21.180 -0.913 30.209 1.00 0.00 WAT +ATOM 48290 OH2 TIP3 13994 24.511 -1.691 29.570 1.00 0.00 WAT +ATOM 48291 H1 TIP3 13994 23.642 -1.604 30.008 1.00 0.00 WAT +ATOM 48292 H2 TIP3 13994 24.975 -2.291 30.185 1.00 0.00 WAT +ATOM 48293 OH2 TIP3 13995 26.381 -3.173 31.328 1.00 0.00 WAT +ATOM 48294 H1 TIP3 13995 26.216 -4.123 31.491 1.00 0.00 WAT +ATOM 48295 H2 TIP3 13995 26.180 -2.761 32.189 1.00 0.00 WAT +ATOM 48296 OH2 TIP3 13996 16.551 -1.781 30.782 1.00 0.00 WAT +ATOM 48297 H1 TIP3 13996 16.448 -2.495 30.131 1.00 0.00 WAT +ATOM 48298 H2 TIP3 13996 16.319 -2.240 31.611 1.00 0.00 WAT +ATOM 48299 OH2 TIP3 13997 20.561 -5.791 29.770 1.00 0.00 WAT +ATOM 48300 H1 TIP3 13997 21.146 -6.563 29.829 1.00 0.00 WAT +ATOM 48301 H2 TIP3 13997 20.535 -5.648 28.805 1.00 0.00 WAT +ATOM 48302 OH2 TIP3 13998 21.515 -3.917 31.607 1.00 0.00 WAT +ATOM 48303 H1 TIP3 13998 21.185 -4.518 30.908 1.00 0.00 WAT +ATOM 48304 H2 TIP3 13998 20.814 -3.247 31.656 1.00 0.00 WAT +ATOM 48305 OH2 TIP3 13999 20.554 12.991 15.039 1.00 0.00 WAT +ATOM 48306 H1 TIP3 13999 21.510 13.043 15.182 1.00 0.00 WAT +ATOM 48307 H2 TIP3 13999 20.446 13.598 14.297 1.00 0.00 WAT +ATOM 48308 OH2 TIP3 14000 13.279 12.688 19.356 1.00 0.00 WAT +ATOM 48309 H1 TIP3 14000 12.683 12.204 18.758 1.00 0.00 WAT +ATOM 48310 H2 TIP3 14000 13.539 11.982 19.980 1.00 0.00 WAT +ATOM 48311 OH2 TIP3 14001 13.971 10.697 21.263 1.00 0.00 WAT +ATOM 48312 H1 TIP3 14001 13.623 9.830 21.524 1.00 0.00 WAT +ATOM 48313 H2 TIP3 14001 14.229 11.040 22.130 1.00 0.00 WAT +ATOM 48314 OH2 TIP3 14002 31.401 11.941 24.387 1.00 0.00 WAT +ATOM 48315 H1 TIP3 14002 31.584 11.961 25.340 1.00 0.00 WAT +ATOM 48316 H2 TIP3 14002 32.221 12.310 24.031 1.00 0.00 WAT +ATOM 48317 OH2 TIP3 14003 31.304 11.429 27.220 1.00 0.00 WAT +ATOM 48318 H1 TIP3 14003 30.823 10.649 26.888 1.00 0.00 WAT +ATOM 48319 H2 TIP3 14003 31.850 11.013 27.906 1.00 0.00 WAT +ATOM 48320 OH2 TIP3 14004 29.303 6.861 31.525 1.00 0.00 WAT +ATOM 48321 H1 TIP3 14004 28.424 6.911 31.940 1.00 0.00 WAT +ATOM 48322 H2 TIP3 14004 29.748 7.654 31.873 1.00 0.00 WAT +ATOM 48323 OH2 TIP3 14005 30.709 5.718 17.308 1.00 0.00 WAT +ATOM 48324 H1 TIP3 14005 31.604 6.085 17.457 1.00 0.00 WAT +ATOM 48325 H2 TIP3 14005 30.635 5.122 18.068 1.00 0.00 WAT +ATOM 48326 OH2 TIP3 14006 31.392 3.756 19.508 1.00 0.00 WAT +ATOM 48327 H1 TIP3 14006 30.643 3.187 19.779 1.00 0.00 WAT +ATOM 48328 H2 TIP3 14006 31.980 3.745 20.268 1.00 0.00 WAT +ATOM 48329 OH2 TIP3 14007 30.921 6.209 24.197 1.00 0.00 WAT +ATOM 48330 H1 TIP3 14007 31.521 5.824 23.551 1.00 0.00 WAT +ATOM 48331 H2 TIP3 14007 31.035 7.159 24.010 1.00 0.00 WAT +ATOM 48332 OH2 TIP3 14008 29.659 9.110 26.409 1.00 0.00 WAT +ATOM 48333 H1 TIP3 14008 28.981 9.540 26.969 1.00 0.00 WAT +ATOM 48334 H2 TIP3 14008 29.116 8.700 25.706 1.00 0.00 WAT +ATOM 48335 OH2 TIP3 14009 31.313 3.162 15.828 1.00 0.00 WAT +ATOM 48336 H1 TIP3 14009 30.898 3.500 15.011 1.00 0.00 WAT +ATOM 48337 H2 TIP3 14009 31.303 3.965 16.375 1.00 0.00 WAT +ATOM 48338 OH2 TIP3 14010 29.412 1.810 20.220 1.00 0.00 WAT +ATOM 48339 H1 TIP3 14010 29.120 0.973 19.807 1.00 0.00 WAT +ATOM 48340 H2 TIP3 14010 28.731 1.943 20.912 1.00 0.00 WAT +ATOM 48341 OH2 TIP3 14011 13.965 4.041 23.718 1.00 0.00 WAT +ATOM 48342 H1 TIP3 14011 14.184 4.131 22.774 1.00 0.00 WAT +ATOM 48343 H2 TIP3 14011 14.846 3.831 24.092 1.00 0.00 WAT +ATOM 48344 OH2 TIP3 14012 29.749 3.773 29.088 1.00 0.00 WAT +ATOM 48345 H1 TIP3 14012 30.430 3.143 29.395 1.00 0.00 WAT +ATOM 48346 H2 TIP3 14012 30.218 4.615 29.099 1.00 0.00 WAT +ATOM 48347 OH2 TIP3 14013 31.272 1.905 30.391 1.00 0.00 WAT +ATOM 48348 H1 TIP3 14013 30.480 1.355 30.192 1.00 0.00 WAT +ATOM 48349 H2 TIP3 14013 31.974 1.227 30.388 1.00 0.00 WAT +ATOM 48350 OH2 TIP3 14014 28.894 -0.558 18.331 1.00 0.00 WAT +ATOM 48351 H1 TIP3 14014 29.002 -1.533 18.320 1.00 0.00 WAT +ATOM 48352 H2 TIP3 14014 29.620 -0.286 17.750 1.00 0.00 WAT +ATOM 48353 OH2 TIP3 14015 29.683 0.269 23.643 1.00 0.00 WAT +ATOM 48354 H1 TIP3 14015 30.481 0.022 24.120 1.00 0.00 WAT +ATOM 48355 H2 TIP3 14015 29.054 0.072 24.361 1.00 0.00 WAT +ATOM 48356 OH2 TIP3 14016 29.370 0.632 26.460 1.00 0.00 WAT +ATOM 48357 H1 TIP3 14016 28.496 0.921 26.782 1.00 0.00 WAT +ATOM 48358 H2 TIP3 14016 29.805 1.481 26.279 1.00 0.00 WAT +ATOM 48359 OH2 TIP3 14017 13.866 -0.577 30.161 1.00 0.00 WAT +ATOM 48360 H1 TIP3 14017 14.802 -0.837 30.223 1.00 0.00 WAT +ATOM 48361 H2 TIP3 14017 13.421 -1.440 30.236 1.00 0.00 WAT +ATOM 48362 OH2 TIP3 14018 31.898 -5.177 31.762 1.00 0.00 WAT +ATOM 48363 H1 TIP3 14018 32.342 -5.874 31.245 1.00 0.00 WAT +ATOM 48364 H2 TIP3 14018 31.971 -4.399 31.180 1.00 0.00 WAT +ATOM 48365 OH2 TIP3 14019 29.187 -3.430 18.280 1.00 0.00 WAT +ATOM 48366 H1 TIP3 14019 29.242 -3.931 19.110 1.00 0.00 WAT +ATOM 48367 H2 TIP3 14019 28.529 -3.961 17.799 1.00 0.00 WAT +ATOM 48368 OH2 TIP3 14020 14.658 -2.280 22.947 1.00 0.00 WAT +ATOM 48369 H1 TIP3 14020 15.097 -3.142 23.017 1.00 0.00 WAT +ATOM 48370 H2 TIP3 14020 15.321 -1.684 23.338 1.00 0.00 WAT +ATOM 48371 OH2 TIP3 14021 13.243 0.402 24.042 1.00 0.00 WAT +ATOM 48372 H1 TIP3 14021 13.709 0.441 23.194 1.00 0.00 WAT +ATOM 48373 H2 TIP3 14021 13.541 1.219 24.461 1.00 0.00 WAT +ATOM 48374 OH2 TIP3 14022 31.329 -3.111 29.996 1.00 0.00 WAT +ATOM 48375 H1 TIP3 14022 30.443 -2.725 30.126 1.00 0.00 WAT +ATOM 48376 H2 TIP3 14022 31.154 -3.693 29.234 1.00 0.00 WAT +ATOM 48377 OH2 TIP3 14023 31.334 -2.829 14.825 1.00 0.00 WAT +ATOM 48378 H1 TIP3 14023 31.467 -3.689 14.392 1.00 0.00 WAT +ATOM 48379 H2 TIP3 14023 32.242 -2.514 14.941 1.00 0.00 WAT +ATOM 48380 OH2 TIP3 14024 13.936 -3.151 17.962 1.00 0.00 WAT +ATOM 48381 H1 TIP3 14024 12.966 -3.272 18.004 1.00 0.00 WAT +ATOM 48382 H2 TIP3 14024 14.000 -2.558 17.200 1.00 0.00 WAT +ATOM 48383 OH2 TIP3 14025 28.325 11.966 20.206 1.00 0.00 WAT +ATOM 48384 H1 TIP3 14025 28.755 11.799 19.351 1.00 0.00 WAT +ATOM 48385 H2 TIP3 14025 29.003 12.464 20.678 1.00 0.00 WAT +ATOM 48386 OH2 TIP3 14026 13.718 -4.341 26.218 1.00 0.00 WAT +ATOM 48387 H1 TIP3 14026 13.011 -4.621 26.816 1.00 0.00 WAT +ATOM 48388 H2 TIP3 14026 13.210 -3.826 25.562 1.00 0.00 WAT +ATOM 48389 OH2 TIP3 14027 15.703 8.790 30.890 1.00 0.00 WAT +ATOM 48390 H1 TIP3 14027 14.960 8.732 30.271 1.00 0.00 WAT +ATOM 48391 H2 TIP3 14027 15.268 8.677 31.747 1.00 0.00 WAT +ATOM 48392 OH2 TIP3 14028 18.549 9.726 26.571 1.00 0.00 WAT +ATOM 48393 H1 TIP3 14028 18.211 10.572 26.231 1.00 0.00 WAT +ATOM 48394 H2 TIP3 14028 19.498 9.823 26.368 1.00 0.00 WAT +ATOM 48395 OH2 TIP3 14029 23.076 11.004 29.578 1.00 0.00 WAT +ATOM 48396 H1 TIP3 14029 23.117 10.855 30.540 1.00 0.00 WAT +ATOM 48397 H2 TIP3 14029 23.911 11.475 29.412 1.00 0.00 WAT +ATOM 48398 OH2 TIP3 14030 25.431 12.367 28.691 1.00 0.00 WAT +ATOM 48399 H1 TIP3 14030 26.083 11.678 28.853 1.00 0.00 WAT +ATOM 48400 H2 TIP3 14030 25.567 12.902 29.498 1.00 0.00 WAT +ATOM 48401 OH2 TIP3 14031 30.205 -4.895 27.976 1.00 0.00 WAT +ATOM 48402 H1 TIP3 14031 29.352 -4.751 27.528 1.00 0.00 WAT +ATOM 48403 H2 TIP3 14031 30.402 -5.814 27.699 1.00 0.00 WAT +ATOM 48404 OH2 TIP3 14032 15.936 12.698 26.908 1.00 0.00 WAT +ATOM 48405 H1 TIP3 14032 15.325 13.310 26.458 1.00 0.00 WAT +ATOM 48406 H2 TIP3 14032 15.573 12.713 27.801 1.00 0.00 WAT +ATOM 48407 OH2 TIP3 14033 18.441 12.475 25.476 1.00 0.00 WAT +ATOM 48408 H1 TIP3 14033 17.567 12.627 25.891 1.00 0.00 WAT +ATOM 48409 H2 TIP3 14033 18.438 13.141 24.765 1.00 0.00 WAT +ATOM 48410 OH2 TIP3 14034 23.664 12.286 24.987 1.00 0.00 WAT +ATOM 48411 H1 TIP3 14034 23.051 12.676 24.330 1.00 0.00 WAT +ATOM 48412 H2 TIP3 14034 23.592 12.969 25.685 1.00 0.00 WAT +ATOM 48413 OH2 TIP3 14035 27.650 12.698 25.955 1.00 0.00 WAT +ATOM 48414 H1 TIP3 14035 27.617 13.675 25.986 1.00 0.00 WAT +ATOM 48415 H2 TIP3 14035 28.265 12.590 25.206 1.00 0.00 WAT +ATOM 48416 OH2 TIP3 14036 15.516 11.501 23.866 1.00 0.00 WAT +ATOM 48417 H1 TIP3 14036 15.486 10.980 24.697 1.00 0.00 WAT +ATOM 48418 H2 TIP3 14036 16.240 11.039 23.392 1.00 0.00 WAT +ATOM 48419 OH2 TIP3 14037 17.477 10.224 22.312 1.00 0.00 WAT +ATOM 48420 H1 TIP3 14037 17.358 9.271 22.503 1.00 0.00 WAT +ATOM 48421 H2 TIP3 14037 18.409 10.358 22.548 1.00 0.00 WAT +ATOM 48422 OH2 TIP3 14038 20.389 10.733 23.170 1.00 0.00 WAT +ATOM 48423 H1 TIP3 14038 20.434 9.800 22.896 1.00 0.00 WAT +ATOM 48424 H2 TIP3 14038 20.305 10.634 24.131 1.00 0.00 WAT +ATOM 48425 OH2 TIP3 14039 23.615 -3.421 22.451 1.00 0.00 WAT +ATOM 48426 H1 TIP3 14039 22.921 -4.089 22.612 1.00 0.00 WAT +ATOM 48427 H2 TIP3 14039 24.153 -3.861 21.778 1.00 0.00 WAT +ATOM 48428 OH2 TIP3 14040 28.564 -5.352 22.920 1.00 0.00 WAT +ATOM 48429 H1 TIP3 14040 29.297 -4.927 22.439 1.00 0.00 WAT +ATOM 48430 H2 TIP3 14040 27.785 -5.097 22.389 1.00 0.00 WAT +ATOM 48431 OH2 TIP3 14041 30.744 -4.246 20.917 1.00 0.00 WAT +ATOM 48432 H1 TIP3 14041 31.263 -4.611 20.185 1.00 0.00 WAT +ATOM 48433 H2 TIP3 14041 30.895 -3.294 20.833 1.00 0.00 WAT +ATOM 48434 OH2 TIP3 14042 20.396 -4.853 19.965 1.00 0.00 WAT +ATOM 48435 H1 TIP3 14042 21.294 -4.635 19.680 1.00 0.00 WAT +ATOM 48436 H2 TIP3 14042 20.518 -5.040 20.901 1.00 0.00 WAT +ATOM 48437 OH2 TIP3 14043 26.148 -4.913 21.340 1.00 0.00 WAT +ATOM 48438 H1 TIP3 14043 26.144 -4.971 20.373 1.00 0.00 WAT +ATOM 48439 H2 TIP3 14043 25.611 -5.692 21.586 1.00 0.00 WAT +ATOM 48440 OH2 TIP3 14044 21.328 -3.181 16.921 1.00 0.00 WAT +ATOM 48441 H1 TIP3 14044 21.935 -3.814 17.319 1.00 0.00 WAT +ATOM 48442 H2 TIP3 14044 21.848 -2.373 16.947 1.00 0.00 WAT +ATOM 48443 OH2 TIP3 14045 23.549 12.430 15.076 1.00 0.00 WAT +ATOM 48444 H1 TIP3 14045 24.520 12.450 15.037 1.00 0.00 WAT +ATOM 48445 H2 TIP3 14045 23.355 11.769 14.384 1.00 0.00 WAT +ATOM 48446 OH2 TIP3 14046 30.128 11.618 17.783 1.00 0.00 WAT +ATOM 48447 H1 TIP3 14046 29.882 10.780 17.343 1.00 0.00 WAT +ATOM 48448 H2 TIP3 14046 30.066 12.245 17.042 1.00 0.00 WAT +ATOM 48449 OH2 TIP3 14047 15.756 -4.451 29.577 1.00 0.00 WAT +ATOM 48450 H1 TIP3 14047 15.344 -5.265 29.917 1.00 0.00 WAT +ATOM 48451 H2 TIP3 14047 16.677 -4.588 29.849 1.00 0.00 WAT +ATOM 48452 OH2 TIP3 14048 18.134 -5.079 31.297 1.00 0.00 WAT +ATOM 48453 H1 TIP3 14048 18.953 -5.437 30.901 1.00 0.00 WAT +ATOM 48454 H2 TIP3 14048 17.779 -5.871 31.733 1.00 0.00 WAT +ATOM 48455 OH2 TIP3 14049 16.669 12.148 14.078 1.00 0.00 WAT +ATOM 48456 H1 TIP3 14049 15.957 12.227 14.740 1.00 0.00 WAT +ATOM 48457 H2 TIP3 14049 16.803 11.194 14.055 1.00 0.00 WAT +ATOM 48458 OH2 TIP3 14050 26.256 -5.977 31.457 1.00 0.00 WAT +ATOM 48459 H1 TIP3 14050 26.272 -6.390 32.342 1.00 0.00 WAT +ATOM 48460 H2 TIP3 14050 27.202 -5.999 31.220 1.00 0.00 WAT +ATOM 48461 OH2 TIP3 14051 29.655 10.386 30.107 1.00 0.00 WAT +ATOM 48462 H1 TIP3 14051 28.875 10.165 29.572 1.00 0.00 WAT +ATOM 48463 H2 TIP3 14051 29.446 11.303 30.373 1.00 0.00 WAT +ATOM 48464 OH2 TIP3 14052 42.067 3.263 23.407 1.00 0.00 WAT +ATOM 48465 H1 TIP3 14052 42.862 3.364 23.960 1.00 0.00 WAT +ATOM 48466 H2 TIP3 14052 42.440 3.043 22.547 1.00 0.00 WAT +ATOM 48467 OH2 TIP3 14053 35.050 3.144 25.050 1.00 0.00 WAT +ATOM 48468 H1 TIP3 14053 35.072 2.360 25.631 1.00 0.00 WAT +ATOM 48469 H2 TIP3 14053 35.819 3.629 25.389 1.00 0.00 WAT +ATOM 48470 OH2 TIP3 14054 35.810 7.674 23.470 1.00 0.00 WAT +ATOM 48471 H1 TIP3 14054 35.568 6.761 23.229 1.00 0.00 WAT +ATOM 48472 H2 TIP3 14054 36.717 7.544 23.787 1.00 0.00 WAT +ATOM 48473 OH2 TIP3 14055 32.579 1.169 19.114 1.00 0.00 WAT +ATOM 48474 H1 TIP3 14055 32.318 2.037 18.768 1.00 0.00 WAT +ATOM 48475 H2 TIP3 14055 32.115 0.576 18.504 1.00 0.00 WAT +ATOM 48476 OH2 TIP3 14056 41.205 6.026 24.008 1.00 0.00 WAT +ATOM 48477 H1 TIP3 14056 41.433 5.225 23.498 1.00 0.00 WAT +ATOM 48478 H2 TIP3 14056 42.025 6.164 24.498 1.00 0.00 WAT +ATOM 48479 OH2 TIP3 14057 37.427 -1.658 21.603 1.00 0.00 WAT +ATOM 48480 H1 TIP3 14057 37.591 -0.807 21.155 1.00 0.00 WAT +ATOM 48481 H2 TIP3 14057 37.106 -2.190 20.852 1.00 0.00 WAT +ATOM 48482 OH2 TIP3 14058 39.467 2.408 21.527 1.00 0.00 WAT +ATOM 48483 H1 TIP3 14058 40.245 1.905 21.846 1.00 0.00 WAT +ATOM 48484 H2 TIP3 14058 39.000 1.713 21.029 1.00 0.00 WAT +ATOM 48485 OH2 TIP3 14059 36.228 -2.646 25.492 1.00 0.00 WAT +ATOM 48486 H1 TIP3 14059 35.875 -2.001 24.860 1.00 0.00 WAT +ATOM 48487 H2 TIP3 14059 35.569 -2.586 26.214 1.00 0.00 WAT +ATOM 48488 OH2 TIP3 14060 39.149 4.966 25.812 1.00 0.00 WAT +ATOM 48489 H1 TIP3 14060 38.424 5.569 26.074 1.00 0.00 WAT +ATOM 48490 H2 TIP3 14060 39.812 5.579 25.452 1.00 0.00 WAT +ATOM 48491 OH2 TIP3 14061 35.549 -0.527 23.485 1.00 0.00 WAT +ATOM 48492 H1 TIP3 14061 36.212 0.010 23.968 1.00 0.00 WAT +ATOM 48493 H2 TIP3 14061 36.101 -0.839 22.742 1.00 0.00 WAT +ATOM 48494 OH2 TIP3 14062 37.132 6.878 26.476 1.00 0.00 WAT +ATOM 48495 H1 TIP3 14062 37.126 7.827 26.250 1.00 0.00 WAT +ATOM 48496 H2 TIP3 14062 36.292 6.811 26.968 1.00 0.00 WAT +ATOM 48497 OH2 TIP3 14063 33.410 6.595 17.433 1.00 0.00 WAT +ATOM 48498 H1 TIP3 14063 33.291 7.066 16.587 1.00 0.00 WAT +ATOM 48499 H2 TIP3 14063 33.622 7.315 18.062 1.00 0.00 WAT +ATOM 48500 OH2 TIP3 14064 40.426 -5.392 22.797 1.00 0.00 WAT +ATOM 48501 H1 TIP3 14064 40.178 -6.334 22.816 1.00 0.00 WAT +ATOM 48502 H2 TIP3 14064 39.637 -4.979 23.204 1.00 0.00 WAT +ATOM 48503 OH2 TIP3 14065 42.693 3.442 17.464 1.00 0.00 WAT +ATOM 48504 H1 TIP3 14065 41.995 4.102 17.304 1.00 0.00 WAT +ATOM 48505 H2 TIP3 14065 43.307 3.642 16.757 1.00 0.00 WAT +ATOM 48506 OH2 TIP3 14066 42.891 1.886 14.661 1.00 0.00 WAT +ATOM 48507 H1 TIP3 14066 43.715 1.856 15.169 1.00 0.00 WAT +ATOM 48508 H2 TIP3 14066 42.964 1.114 14.089 1.00 0.00 WAT +ATOM 48509 OH2 TIP3 14067 37.634 4.349 20.399 1.00 0.00 WAT +ATOM 48510 H1 TIP3 14067 37.276 3.896 19.610 1.00 0.00 WAT +ATOM 48511 H2 TIP3 14067 38.249 3.677 20.750 1.00 0.00 WAT +ATOM 48512 OH2 TIP3 14068 39.001 7.798 23.133 1.00 0.00 WAT +ATOM 48513 H1 TIP3 14068 38.895 7.332 22.292 1.00 0.00 WAT +ATOM 48514 H2 TIP3 14068 39.760 7.320 23.520 1.00 0.00 WAT +ATOM 48515 OH2 TIP3 14069 38.068 3.228 23.866 1.00 0.00 WAT +ATOM 48516 H1 TIP3 14069 38.700 3.120 23.126 1.00 0.00 WAT +ATOM 48517 H2 TIP3 14069 38.571 3.788 24.489 1.00 0.00 WAT +ATOM 48518 OH2 TIP3 14070 39.045 7.518 28.713 1.00 0.00 WAT +ATOM 48519 H1 TIP3 14070 38.520 8.149 29.234 1.00 0.00 WAT +ATOM 48520 H2 TIP3 14070 38.395 7.223 28.051 1.00 0.00 WAT +ATOM 48521 OH2 TIP3 14071 35.937 3.908 27.836 1.00 0.00 WAT +ATOM 48522 H1 TIP3 14071 35.992 4.437 28.652 1.00 0.00 WAT +ATOM 48523 H2 TIP3 14071 34.987 3.722 27.783 1.00 0.00 WAT +ATOM 48524 OH2 TIP3 14072 42.079 9.820 19.858 1.00 0.00 WAT +ATOM 48525 H1 TIP3 14072 42.999 9.918 20.160 1.00 0.00 WAT +ATOM 48526 H2 TIP3 14072 42.112 10.148 18.943 1.00 0.00 WAT +ATOM 48527 OH2 TIP3 14073 37.104 9.664 29.557 1.00 0.00 WAT +ATOM 48528 H1 TIP3 14073 36.986 9.667 28.592 1.00 0.00 WAT +ATOM 48529 H2 TIP3 14073 36.227 9.386 29.887 1.00 0.00 WAT +ATOM 48530 OH2 TIP3 14074 36.513 3.089 17.936 1.00 0.00 WAT +ATOM 48531 H1 TIP3 14074 36.325 3.850 17.362 1.00 0.00 WAT +ATOM 48532 H2 TIP3 14074 35.871 2.439 17.628 1.00 0.00 WAT +ATOM 48533 OH2 TIP3 14075 32.586 5.740 26.624 1.00 0.00 WAT +ATOM 48534 H1 TIP3 14075 32.021 5.719 25.830 1.00 0.00 WAT +ATOM 48535 H2 TIP3 14075 32.697 4.796 26.854 1.00 0.00 WAT +ATOM 48536 OH2 TIP3 14076 32.599 8.644 23.626 1.00 0.00 WAT +ATOM 48537 H1 TIP3 14076 33.539 8.408 23.658 1.00 0.00 WAT +ATOM 48538 H2 TIP3 14076 32.553 9.298 24.339 1.00 0.00 WAT +ATOM 48539 OH2 TIP3 14077 41.709 8.546 28.177 1.00 0.00 WAT +ATOM 48540 H1 TIP3 14077 41.791 9.387 28.646 1.00 0.00 WAT +ATOM 48541 H2 TIP3 14077 40.824 8.225 28.438 1.00 0.00 WAT +ATOM 48542 OH2 TIP3 14078 41.959 12.336 18.331 1.00 0.00 WAT +ATOM 48543 H1 TIP3 14078 41.983 12.191 17.372 1.00 0.00 WAT +ATOM 48544 H2 TIP3 14078 42.094 13.291 18.399 1.00 0.00 WAT +ATOM 48545 OH2 TIP3 14079 35.767 11.453 19.758 1.00 0.00 WAT +ATOM 48546 H1 TIP3 14079 35.875 11.012 20.624 1.00 0.00 WAT +ATOM 48547 H2 TIP3 14079 34.919 11.093 19.460 1.00 0.00 WAT +ATOM 48548 OH2 TIP3 14080 34.753 7.306 27.910 1.00 0.00 WAT +ATOM 48549 H1 TIP3 14080 35.026 6.854 28.737 1.00 0.00 WAT +ATOM 48550 H2 TIP3 14080 34.044 6.732 27.573 1.00 0.00 WAT +ATOM 48551 OH2 TIP3 14081 37.951 -4.252 23.694 1.00 0.00 WAT +ATOM 48552 H1 TIP3 14081 37.148 -4.319 23.152 1.00 0.00 WAT +ATOM 48553 H2 TIP3 14081 37.721 -3.469 24.222 1.00 0.00 WAT +ATOM 48554 OH2 TIP3 14082 42.336 -4.879 27.935 1.00 0.00 WAT +ATOM 48555 H1 TIP3 14082 42.465 -5.575 28.598 1.00 0.00 WAT +ATOM 48556 H2 TIP3 14082 41.428 -5.083 27.630 1.00 0.00 WAT +ATOM 48557 OH2 TIP3 14083 42.330 -2.078 14.711 1.00 0.00 WAT +ATOM 48558 H1 TIP3 14083 41.668 -2.266 15.390 1.00 0.00 WAT +ATOM 48559 H2 TIP3 14083 42.064 -2.705 14.022 1.00 0.00 WAT +ATOM 48560 OH2 TIP3 14084 37.641 0.499 25.034 1.00 0.00 WAT +ATOM 48561 H1 TIP3 14084 37.203 0.624 25.892 1.00 0.00 WAT +ATOM 48562 H2 TIP3 14084 37.820 1.412 24.746 1.00 0.00 WAT +ATOM 48563 OH2 TIP3 14085 37.740 0.620 19.991 1.00 0.00 WAT +ATOM 48564 H1 TIP3 14085 36.775 0.503 19.885 1.00 0.00 WAT +ATOM 48565 H2 TIP3 14085 38.050 0.442 19.083 1.00 0.00 WAT +ATOM 48566 OH2 TIP3 14086 42.700 0.992 19.343 1.00 0.00 WAT +ATOM 48567 H1 TIP3 14086 42.801 1.936 19.135 1.00 0.00 WAT +ATOM 48568 H2 TIP3 14086 43.600 0.663 19.467 1.00 0.00 WAT +ATOM 48569 OH2 TIP3 14087 42.496 1.457 30.314 1.00 0.00 WAT +ATOM 48570 H1 TIP3 14087 41.941 0.654 30.447 1.00 0.00 WAT +ATOM 48571 H2 TIP3 14087 43.371 1.023 30.288 1.00 0.00 WAT +ATOM 48572 OH2 TIP3 14088 35.086 0.737 26.941 1.00 0.00 WAT +ATOM 48573 H1 TIP3 14088 35.466 1.022 27.781 1.00 0.00 WAT +ATOM 48574 H2 TIP3 14088 34.827 -0.179 27.150 1.00 0.00 WAT +ATOM 48575 OH2 TIP3 14089 38.625 -1.638 13.527 1.00 0.00 WAT +ATOM 48576 H1 TIP3 14089 38.201 -2.055 14.300 1.00 0.00 WAT +ATOM 48577 H2 TIP3 14089 37.880 -1.502 12.928 1.00 0.00 WAT +ATOM 48578 OH2 TIP3 14090 32.051 -1.593 20.646 1.00 0.00 WAT +ATOM 48579 H1 TIP3 14090 32.642 -1.927 21.345 1.00 0.00 WAT +ATOM 48580 H2 TIP3 14090 32.332 -2.099 19.860 1.00 0.00 WAT +ATOM 48581 OH2 TIP3 14091 33.510 -1.400 16.275 1.00 0.00 WAT +ATOM 48582 H1 TIP3 14091 34.080 -0.935 15.628 1.00 0.00 WAT +ATOM 48583 H2 TIP3 14091 32.807 -0.742 16.408 1.00 0.00 WAT +ATOM 48584 OH2 TIP3 14092 43.446 2.014 26.325 1.00 0.00 WAT +ATOM 48585 H1 TIP3 14092 43.776 1.358 25.677 1.00 0.00 WAT +ATOM 48586 H2 TIP3 14092 42.738 1.492 26.734 1.00 0.00 WAT +ATOM 48587 OH2 TIP3 14093 40.470 -1.975 21.009 1.00 0.00 WAT +ATOM 48588 H1 TIP3 14093 39.539 -1.889 21.272 1.00 0.00 WAT +ATOM 48589 H2 TIP3 14093 40.909 -1.802 21.858 1.00 0.00 WAT +ATOM 48590 OH2 TIP3 14094 35.125 -0.467 19.906 1.00 0.00 WAT +ATOM 48591 H1 TIP3 14094 34.283 -0.230 19.495 1.00 0.00 WAT +ATOM 48592 H2 TIP3 14094 35.401 -1.273 19.432 1.00 0.00 WAT +ATOM 48593 OH2 TIP3 14095 38.689 -0.228 17.338 1.00 0.00 WAT +ATOM 48594 H1 TIP3 14095 39.653 -0.123 17.410 1.00 0.00 WAT +ATOM 48595 H2 TIP3 14095 38.441 0.383 16.622 1.00 0.00 WAT +ATOM 48596 OH2 TIP3 14096 37.219 1.043 15.129 1.00 0.00 WAT +ATOM 48597 H1 TIP3 14096 36.618 0.756 14.424 1.00 0.00 WAT +ATOM 48598 H2 TIP3 14096 38.031 1.197 14.619 1.00 0.00 WAT +ATOM 48599 OH2 TIP3 14097 35.825 5.785 30.099 1.00 0.00 WAT +ATOM 48600 H1 TIP3 14097 36.499 5.856 30.808 1.00 0.00 WAT +ATOM 48601 H2 TIP3 14097 35.019 5.736 30.652 1.00 0.00 WAT +ATOM 48602 OH2 TIP3 14098 41.395 0.423 22.427 1.00 0.00 WAT +ATOM 48603 H1 TIP3 14098 42.165 0.070 21.965 1.00 0.00 WAT +ATOM 48604 H2 TIP3 14098 41.626 0.256 23.357 1.00 0.00 WAT +ATOM 48605 OH2 TIP3 14099 36.732 -2.752 19.075 1.00 0.00 WAT +ATOM 48606 H1 TIP3 14099 36.211 -3.567 19.152 1.00 0.00 WAT +ATOM 48607 H2 TIP3 14099 37.517 -3.054 18.598 1.00 0.00 WAT +ATOM 48608 OH2 TIP3 14100 40.505 -0.885 25.113 1.00 0.00 WAT +ATOM 48609 H1 TIP3 14100 39.793 -0.242 24.975 1.00 0.00 WAT +ATOM 48610 H2 TIP3 14100 41.016 -0.476 25.836 1.00 0.00 WAT +ATOM 48611 OH2 TIP3 14101 40.708 5.497 17.004 1.00 0.00 WAT +ATOM 48612 H1 TIP3 14101 39.945 5.006 16.629 1.00 0.00 WAT +ATOM 48613 H2 TIP3 14101 40.483 5.549 17.961 1.00 0.00 WAT +ATOM 48614 OH2 TIP3 14102 41.980 5.472 28.211 1.00 0.00 WAT +ATOM 48615 H1 TIP3 14102 41.875 5.346 29.157 1.00 0.00 WAT +ATOM 48616 H2 TIP3 14102 42.144 6.423 28.120 1.00 0.00 WAT +ATOM 48617 OH2 TIP3 14103 35.569 4.853 22.606 1.00 0.00 WAT +ATOM 48618 H1 TIP3 14103 36.251 4.848 21.909 1.00 0.00 WAT +ATOM 48619 H2 TIP3 14103 35.894 4.135 23.179 1.00 0.00 WAT +ATOM 48620 OH2 TIP3 14104 42.869 6.894 15.998 1.00 0.00 WAT +ATOM 48621 H1 TIP3 14104 42.595 7.782 16.288 1.00 0.00 WAT +ATOM 48622 H2 TIP3 14104 42.100 6.356 16.286 1.00 0.00 WAT +ATOM 48623 OH2 TIP3 14105 32.968 3.265 28.020 1.00 0.00 WAT +ATOM 48624 H1 TIP3 14105 33.215 2.904 28.898 1.00 0.00 WAT +ATOM 48625 H2 TIP3 14105 32.435 2.542 27.660 1.00 0.00 WAT +ATOM 48626 OH2 TIP3 14106 40.021 2.798 30.027 1.00 0.00 WAT +ATOM 48627 H1 TIP3 14106 39.721 2.487 29.158 1.00 0.00 WAT +ATOM 48628 H2 TIP3 14106 40.955 2.516 30.008 1.00 0.00 WAT +ATOM 48629 OH2 TIP3 14107 38.134 8.284 20.030 1.00 0.00 WAT +ATOM 48630 H1 TIP3 14107 38.569 9.142 19.912 1.00 0.00 WAT +ATOM 48631 H2 TIP3 14107 37.220 8.483 19.792 1.00 0.00 WAT +ATOM 48632 OH2 TIP3 14108 34.153 3.075 14.709 1.00 0.00 WAT +ATOM 48633 H1 TIP3 14108 34.765 3.753 15.051 1.00 0.00 WAT +ATOM 48634 H2 TIP3 14108 33.293 3.469 14.922 1.00 0.00 WAT +ATOM 48635 OH2 TIP3 14109 39.970 6.000 19.668 1.00 0.00 WAT +ATOM 48636 H1 TIP3 14109 39.627 6.895 19.810 1.00 0.00 WAT +ATOM 48637 H2 TIP3 14109 39.274 5.462 20.081 1.00 0.00 WAT +ATOM 48638 OH2 TIP3 14110 40.184 10.271 26.082 1.00 0.00 WAT +ATOM 48639 H1 TIP3 14110 40.748 10.974 25.710 1.00 0.00 WAT +ATOM 48640 H2 TIP3 14110 40.830 9.738 26.573 1.00 0.00 WAT +ATOM 48641 OH2 TIP3 14111 38.682 11.239 19.373 1.00 0.00 WAT +ATOM 48642 H1 TIP3 14111 37.713 11.284 19.377 1.00 0.00 WAT +ATOM 48643 H2 TIP3 14111 38.915 12.177 19.546 1.00 0.00 WAT +ATOM 48644 OH2 TIP3 14112 34.400 -2.074 27.592 1.00 0.00 WAT +ATOM 48645 H1 TIP3 14112 33.471 -1.851 27.417 1.00 0.00 WAT +ATOM 48646 H2 TIP3 14112 34.313 -2.918 28.073 1.00 0.00 WAT +ATOM 48647 OH2 TIP3 14113 34.140 9.670 26.053 1.00 0.00 WAT +ATOM 48648 H1 TIP3 14113 34.430 8.770 26.267 1.00 0.00 WAT +ATOM 48649 H2 TIP3 14113 34.312 10.110 26.895 1.00 0.00 WAT +ATOM 48650 OH2 TIP3 14114 39.949 8.395 13.108 1.00 0.00 WAT +ATOM 48651 H1 TIP3 14114 40.277 7.654 12.563 1.00 0.00 WAT +ATOM 48652 H2 TIP3 14114 39.553 7.910 13.851 1.00 0.00 WAT +ATOM 48653 OH2 TIP3 14115 38.855 7.809 15.848 1.00 0.00 WAT +ATOM 48654 H1 TIP3 14115 39.345 7.290 16.500 1.00 0.00 WAT +ATOM 48655 H2 TIP3 14115 38.984 8.728 16.157 1.00 0.00 WAT +ATOM 48656 OH2 TIP3 14116 35.654 5.303 16.189 1.00 0.00 WAT +ATOM 48657 H1 TIP3 14116 34.940 5.704 16.717 1.00 0.00 WAT +ATOM 48658 H2 TIP3 14116 36.136 6.093 15.889 1.00 0.00 WAT +ATOM 48659 OH2 TIP3 14117 43.353 -1.805 26.771 1.00 0.00 WAT +ATOM 48660 H1 TIP3 14117 43.909 -2.568 26.955 1.00 0.00 WAT +ATOM 48661 H2 TIP3 14117 42.732 -2.179 26.130 1.00 0.00 WAT +ATOM 48662 OH2 TIP3 14118 41.738 9.615 16.503 1.00 0.00 WAT +ATOM 48663 H1 TIP3 14118 40.839 9.995 16.497 1.00 0.00 WAT +ATOM 48664 H2 TIP3 14118 42.097 9.968 15.679 1.00 0.00 WAT +ATOM 48665 OH2 TIP3 14119 41.271 -1.008 18.381 1.00 0.00 WAT +ATOM 48666 H1 TIP3 14119 41.867 -0.260 18.620 1.00 0.00 WAT +ATOM 48667 H2 TIP3 14119 40.942 -1.202 19.279 1.00 0.00 WAT +ATOM 48668 OH2 TIP3 14120 41.675 0.122 27.595 1.00 0.00 WAT +ATOM 48669 H1 TIP3 14120 41.849 0.549 28.444 1.00 0.00 WAT +ATOM 48670 H2 TIP3 14120 42.326 -0.610 27.584 1.00 0.00 WAT +ATOM 48671 OH2 TIP3 14121 41.926 -3.836 19.579 1.00 0.00 WAT +ATOM 48672 H1 TIP3 14121 41.654 -3.061 20.124 1.00 0.00 WAT +ATOM 48673 H2 TIP3 14121 42.715 -3.488 19.127 1.00 0.00 WAT +ATOM 48674 OH2 TIP3 14122 38.988 10.541 16.418 1.00 0.00 WAT +ATOM 48675 H1 TIP3 14122 38.914 11.322 15.827 1.00 0.00 WAT +ATOM 48676 H2 TIP3 14122 38.820 10.937 17.289 1.00 0.00 WAT +ATOM 48677 OH2 TIP3 14123 37.673 -2.774 15.920 1.00 0.00 WAT +ATOM 48678 H1 TIP3 14123 37.745 -1.967 16.458 1.00 0.00 WAT +ATOM 48679 H2 TIP3 14123 38.501 -3.238 16.141 1.00 0.00 WAT +ATOM 48680 OH2 TIP3 14124 36.106 8.088 14.975 1.00 0.00 WAT +ATOM 48681 H1 TIP3 14124 36.845 8.592 15.354 1.00 0.00 WAT +ATOM 48682 H2 TIP3 14124 36.584 7.608 14.280 1.00 0.00 WAT +ATOM 48683 OH2 TIP3 14125 34.246 0.280 14.115 1.00 0.00 WAT +ATOM 48684 H1 TIP3 14125 34.372 1.232 14.293 1.00 0.00 WAT +ATOM 48685 H2 TIP3 14125 33.454 0.267 13.567 1.00 0.00 WAT +ATOM 48686 OH2 TIP3 14126 35.111 -4.661 22.819 1.00 0.00 WAT +ATOM 48687 H1 TIP3 14126 34.955 -4.744 21.858 1.00 0.00 WAT +ATOM 48688 H2 TIP3 14126 34.826 -5.528 23.164 1.00 0.00 WAT +ATOM 48689 OH2 TIP3 14127 34.038 8.808 19.140 1.00 0.00 WAT +ATOM 48690 H1 TIP3 14127 33.267 9.343 19.372 1.00 0.00 WAT +ATOM 48691 H2 TIP3 14127 34.428 9.339 18.428 1.00 0.00 WAT +ATOM 48692 OH2 TIP3 14128 33.468 11.724 30.255 1.00 0.00 WAT +ATOM 48693 H1 TIP3 14128 34.029 11.466 31.012 1.00 0.00 WAT +ATOM 48694 H2 TIP3 14128 33.063 10.869 30.012 1.00 0.00 WAT +ATOM 48695 OH2 TIP3 14129 38.164 10.800 32.063 1.00 0.00 WAT +ATOM 48696 H1 TIP3 14129 38.825 10.121 32.269 1.00 0.00 WAT +ATOM 48697 H2 TIP3 14129 37.897 10.531 31.168 1.00 0.00 WAT +ATOM 48698 OH2 TIP3 14130 42.286 10.002 13.484 1.00 0.00 WAT +ATOM 48699 H1 TIP3 14130 41.461 9.480 13.386 1.00 0.00 WAT +ATOM 48700 H2 TIP3 14130 42.934 9.309 13.267 1.00 0.00 WAT +ATOM 48701 OH2 TIP3 14131 33.431 5.378 31.395 1.00 0.00 WAT +ATOM 48702 H1 TIP3 14131 33.498 4.450 31.114 1.00 0.00 WAT +ATOM 48703 H2 TIP3 14131 32.632 5.660 30.911 1.00 0.00 WAT +ATOM 48704 OH2 TIP3 14132 37.628 5.804 13.433 1.00 0.00 WAT +ATOM 48705 H1 TIP3 14132 37.807 5.180 14.156 1.00 0.00 WAT +ATOM 48706 H2 TIP3 14132 38.466 5.753 12.935 1.00 0.00 WAT +ATOM 48707 OH2 TIP3 14133 40.066 5.570 30.731 1.00 0.00 WAT +ATOM 48708 H1 TIP3 14133 39.802 5.878 29.848 1.00 0.00 WAT +ATOM 48709 H2 TIP3 14133 40.159 4.604 30.596 1.00 0.00 WAT +ATOM 48710 OH2 TIP3 14134 42.603 7.114 12.981 1.00 0.00 WAT +ATOM 48711 H1 TIP3 14134 42.801 7.196 13.929 1.00 0.00 WAT +ATOM 48712 H2 TIP3 14134 42.454 6.156 12.904 1.00 0.00 WAT +ATOM 48713 OH2 TIP3 14135 34.273 2.536 30.536 1.00 0.00 WAT +ATOM 48714 H1 TIP3 14135 34.977 1.862 30.533 1.00 0.00 WAT +ATOM 48715 H2 TIP3 14135 34.212 2.706 31.491 1.00 0.00 WAT +ATOM 48716 OH2 TIP3 14136 38.715 3.849 15.751 1.00 0.00 WAT +ATOM 48717 H1 TIP3 14136 38.104 3.325 16.289 1.00 0.00 WAT +ATOM 48718 H2 TIP3 14136 39.039 3.173 15.120 1.00 0.00 WAT +ATOM 48719 OH2 TIP3 14137 37.930 1.622 27.888 1.00 0.00 WAT +ATOM 48720 H1 TIP3 14137 37.440 2.394 28.221 1.00 0.00 WAT +ATOM 48721 H2 TIP3 14137 38.595 2.037 27.314 1.00 0.00 WAT +ATOM 48722 OH2 TIP3 14138 39.784 1.879 14.049 1.00 0.00 WAT +ATOM 48723 H1 TIP3 14138 39.679 1.907 13.080 1.00 0.00 WAT +ATOM 48724 H2 TIP3 14138 40.746 1.974 14.140 1.00 0.00 WAT +ATOM 48725 OH2 TIP3 14139 42.849 4.123 31.707 1.00 0.00 WAT +ATOM 48726 H1 TIP3 14139 43.544 3.788 31.132 1.00 0.00 WAT +ATOM 48727 H2 TIP3 14139 42.668 3.320 32.228 1.00 0.00 WAT +ATOM 48728 OH2 TIP3 14140 38.563 -1.061 29.165 1.00 0.00 WAT +ATOM 48729 H1 TIP3 14140 38.615 -1.739 28.467 1.00 0.00 WAT +ATOM 48730 H2 TIP3 14140 38.371 -0.263 28.645 1.00 0.00 WAT +ATOM 48731 OH2 TIP3 14141 38.822 -2.613 26.571 1.00 0.00 WAT +ATOM 48732 H1 TIP3 14141 39.363 -2.068 25.964 1.00 0.00 WAT +ATOM 48733 H2 TIP3 14141 37.927 -2.540 26.182 1.00 0.00 WAT +ATOM 48734 OH2 TIP3 14142 40.586 2.780 26.900 1.00 0.00 WAT +ATOM 48735 H1 TIP3 14142 41.358 2.741 26.318 1.00 0.00 WAT +ATOM 48736 H2 TIP3 14142 40.300 3.698 26.764 1.00 0.00 WAT +ATOM 48737 OH2 TIP3 14143 36.733 0.790 30.857 1.00 0.00 WAT +ATOM 48738 H1 TIP3 14143 36.180 -0.004 30.959 1.00 0.00 WAT +ATOM 48739 H2 TIP3 14143 37.555 0.408 30.511 1.00 0.00 WAT +ATOM 48740 OH2 TIP3 14144 39.729 -5.232 26.935 1.00 0.00 WAT +ATOM 48741 H1 TIP3 14144 39.469 -4.300 26.780 1.00 0.00 WAT +ATOM 48742 H2 TIP3 14144 39.058 -5.709 26.413 1.00 0.00 WAT +ATOM 48743 OH2 TIP3 14145 41.013 -0.775 30.696 1.00 0.00 WAT +ATOM 48744 H1 TIP3 14145 40.701 -1.109 31.552 1.00 0.00 WAT +ATOM 48745 H2 TIP3 14145 40.265 -1.046 30.129 1.00 0.00 WAT +ATOM 48746 OH2 TIP3 14146 35.343 -1.776 30.761 1.00 0.00 WAT +ATOM 48747 H1 TIP3 14146 35.315 -2.525 30.144 1.00 0.00 WAT +ATOM 48748 H2 TIP3 14146 35.202 -2.233 31.615 1.00 0.00 WAT +ATOM 48749 OH2 TIP3 14147 39.465 -5.755 29.793 1.00 0.00 WAT +ATOM 48750 H1 TIP3 14147 40.015 -6.548 29.865 1.00 0.00 WAT +ATOM 48751 H2 TIP3 14147 39.472 -5.609 28.829 1.00 0.00 WAT +ATOM 48752 OH2 TIP3 14148 40.412 -3.933 31.728 1.00 0.00 WAT +ATOM 48753 H1 TIP3 14148 40.094 -4.561 31.050 1.00 0.00 WAT +ATOM 48754 H2 TIP3 14148 39.670 -3.320 31.808 1.00 0.00 WAT +ATOM 48755 OH2 TIP3 14149 39.577 13.059 15.137 1.00 0.00 WAT +ATOM 48756 H1 TIP3 14149 40.539 13.157 15.167 1.00 0.00 WAT +ATOM 48757 H2 TIP3 14149 39.379 13.564 14.334 1.00 0.00 WAT +ATOM 48758 OH2 TIP3 14150 33.364 7.467 14.694 1.00 0.00 WAT +ATOM 48759 H1 TIP3 14150 34.319 7.684 14.769 1.00 0.00 WAT +ATOM 48760 H2 TIP3 14150 33.374 6.727 14.055 1.00 0.00 WAT +ATOM 48761 OH2 TIP3 14151 32.359 12.693 19.364 1.00 0.00 WAT +ATOM 48762 H1 TIP3 14151 31.628 12.342 18.816 1.00 0.00 WAT +ATOM 48763 H2 TIP3 14151 32.416 12.018 20.068 1.00 0.00 WAT +ATOM 48764 OH2 TIP3 14152 32.727 10.719 21.376 1.00 0.00 WAT +ATOM 48765 H1 TIP3 14152 32.435 9.854 21.702 1.00 0.00 WAT +ATOM 48766 H2 TIP3 14152 33.070 11.096 22.203 1.00 0.00 WAT +ATOM 48767 OH2 TIP3 14153 32.912 3.679 23.238 1.00 0.00 WAT +ATOM 48768 H1 TIP3 14153 33.434 4.207 22.610 1.00 0.00 WAT +ATOM 48769 H2 TIP3 14153 33.573 3.672 23.970 1.00 0.00 WAT +ATOM 48770 OH2 TIP3 14154 32.741 -0.581 30.091 1.00 0.00 WAT +ATOM 48771 H1 TIP3 14154 33.666 -0.850 30.247 1.00 0.00 WAT +ATOM 48772 H2 TIP3 14154 32.276 -1.429 30.225 1.00 0.00 WAT +ATOM 48773 OH2 TIP3 14155 33.422 -2.210 23.070 1.00 0.00 WAT +ATOM 48774 H1 TIP3 14155 33.924 -3.048 23.111 1.00 0.00 WAT +ATOM 48775 H2 TIP3 14155 34.147 -1.570 23.247 1.00 0.00 WAT +ATOM 48776 OH2 TIP3 14156 32.297 -3.147 18.160 1.00 0.00 WAT +ATOM 48777 H1 TIP3 14156 31.389 -3.163 17.813 1.00 0.00 WAT +ATOM 48778 H2 TIP3 14156 32.789 -2.667 17.466 1.00 0.00 WAT +ATOM 48779 OH2 TIP3 14157 32.556 -4.323 26.241 1.00 0.00 WAT +ATOM 48780 H1 TIP3 14157 31.888 -4.640 26.868 1.00 0.00 WAT +ATOM 48781 H2 TIP3 14157 32.005 -3.926 25.555 1.00 0.00 WAT +ATOM 48782 OH2 TIP3 14158 34.563 8.765 30.897 1.00 0.00 WAT +ATOM 48783 H1 TIP3 14158 33.826 8.738 30.270 1.00 0.00 WAT +ATOM 48784 H2 TIP3 14158 34.112 8.696 31.750 1.00 0.00 WAT +ATOM 48785 OH2 TIP3 14159 37.402 9.712 26.546 1.00 0.00 WAT +ATOM 48786 H1 TIP3 14159 37.096 10.582 26.235 1.00 0.00 WAT +ATOM 48787 H2 TIP3 14159 38.365 9.816 26.394 1.00 0.00 WAT +ATOM 48788 OH2 TIP3 14160 42.202 11.383 29.474 1.00 0.00 WAT +ATOM 48789 H1 TIP3 14160 42.042 11.004 30.353 1.00 0.00 WAT +ATOM 48790 H2 TIP3 14160 43.156 11.577 29.546 1.00 0.00 WAT +ATOM 48791 OH2 TIP3 14161 34.762 12.675 26.899 1.00 0.00 WAT +ATOM 48792 H1 TIP3 14161 34.164 13.317 26.474 1.00 0.00 WAT +ATOM 48793 H2 TIP3 14161 34.452 12.726 27.812 1.00 0.00 WAT +ATOM 48794 OH2 TIP3 14162 37.263 12.448 25.445 1.00 0.00 WAT +ATOM 48795 H1 TIP3 14162 36.433 12.646 25.923 1.00 0.00 WAT +ATOM 48796 H2 TIP3 14162 37.291 13.166 24.791 1.00 0.00 WAT +ATOM 48797 OH2 TIP3 14163 41.799 12.359 24.729 1.00 0.00 WAT +ATOM 48798 H1 TIP3 14163 41.498 13.139 24.246 1.00 0.00 WAT +ATOM 48799 H2 TIP3 14163 42.504 12.727 25.274 1.00 0.00 WAT +ATOM 48800 OH2 TIP3 14164 34.341 11.470 23.838 1.00 0.00 WAT +ATOM 48801 H1 TIP3 14164 34.335 11.007 24.704 1.00 0.00 WAT +ATOM 48802 H2 TIP3 14164 35.122 11.058 23.420 1.00 0.00 WAT +ATOM 48803 OH2 TIP3 14165 36.380 10.220 22.316 1.00 0.00 WAT +ATOM 48804 H1 TIP3 14165 36.221 9.280 22.547 1.00 0.00 WAT +ATOM 48805 H2 TIP3 14165 37.265 10.365 22.680 1.00 0.00 WAT +ATOM 48806 OH2 TIP3 14166 39.523 10.861 22.914 1.00 0.00 WAT +ATOM 48807 H1 TIP3 14166 39.395 9.897 22.909 1.00 0.00 WAT +ATOM 48808 H2 TIP3 14166 39.348 11.065 23.850 1.00 0.00 WAT +ATOM 48809 OH2 TIP3 14167 42.622 -3.710 22.506 1.00 0.00 WAT +ATOM 48810 H1 TIP3 14167 41.799 -4.220 22.621 1.00 0.00 WAT +ATOM 48811 H2 TIP3 14167 42.988 -4.117 21.716 1.00 0.00 WAT +ATOM 48812 OH2 TIP3 14168 34.768 -4.871 19.997 1.00 0.00 WAT +ATOM 48813 H1 TIP3 14168 33.924 -5.000 19.523 1.00 0.00 WAT +ATOM 48814 H2 TIP3 14168 35.210 -5.720 19.829 1.00 0.00 WAT +ATOM 48815 OH2 TIP3 14169 33.745 -5.255 15.971 1.00 0.00 WAT +ATOM 48816 H1 TIP3 14169 34.163 -4.560 15.427 1.00 0.00 WAT +ATOM 48817 H2 TIP3 14169 33.172 -4.744 16.559 1.00 0.00 WAT +ATOM 48818 OH2 TIP3 14170 39.311 -4.890 19.945 1.00 0.00 WAT +ATOM 48819 H1 TIP3 14170 40.227 -4.575 19.822 1.00 0.00 WAT +ATOM 48820 H2 TIP3 14170 39.292 -4.979 20.905 1.00 0.00 WAT +ATOM 48821 OH2 TIP3 14171 33.800 10.752 17.092 1.00 0.00 WAT +ATOM 48822 H1 TIP3 14171 33.170 10.628 16.365 1.00 0.00 WAT +ATOM 48823 H2 TIP3 14171 33.783 11.719 17.161 1.00 0.00 WAT +ATOM 48824 OH2 TIP3 14172 35.326 -3.394 14.381 1.00 0.00 WAT +ATOM 48825 H1 TIP3 14172 35.912 -3.940 13.827 1.00 0.00 WAT +ATOM 48826 H2 TIP3 14172 35.952 -3.077 15.061 1.00 0.00 WAT +ATOM 48827 OH2 TIP3 14173 40.626 -3.207 16.906 1.00 0.00 WAT +ATOM 48828 H1 TIP3 14173 40.665 -3.827 17.649 1.00 0.00 WAT +ATOM 48829 H2 TIP3 14173 40.637 -2.348 17.376 1.00 0.00 WAT +ATOM 48830 OH2 TIP3 14174 42.626 12.391 15.179 1.00 0.00 WAT +ATOM 48831 H1 TIP3 14174 43.502 12.772 14.995 1.00 0.00 WAT +ATOM 48832 H2 TIP3 14174 42.489 11.802 14.416 1.00 0.00 WAT +ATOM 48833 OH2 TIP3 14175 34.636 -4.462 29.549 1.00 0.00 WAT +ATOM 48834 H1 TIP3 14175 34.190 -5.248 29.911 1.00 0.00 WAT +ATOM 48835 H2 TIP3 14175 35.542 -4.617 29.869 1.00 0.00 WAT +ATOM 48836 OH2 TIP3 14176 36.962 -5.101 31.275 1.00 0.00 WAT +ATOM 48837 H1 TIP3 14176 37.793 -5.461 30.906 1.00 0.00 WAT +ATOM 48838 H2 TIP3 14176 36.643 -5.875 31.773 1.00 0.00 WAT +ATOM 48839 OH2 TIP3 14177 35.215 11.676 13.875 1.00 0.00 WAT +ATOM 48840 H1 TIP3 14177 34.999 11.984 14.767 1.00 0.00 WAT +ATOM 48841 H2 TIP3 14177 36.003 11.128 14.018 1.00 0.00 WAT +ATOM 48842 OH2 TIP3 14178 -31.630 22.922 20.342 1.00 0.00 WAT +ATOM 48843 H1 TIP3 14178 -31.614 23.893 20.329 1.00 0.00 WAT +ATOM 48844 H2 TIP3 14178 -32.354 22.737 19.725 1.00 0.00 WAT +ATOM 48845 OH2 TIP3 14179 -32.828 22.377 23.444 1.00 0.00 WAT +ATOM 48846 H1 TIP3 14179 -32.800 21.710 24.153 1.00 0.00 WAT +ATOM 48847 H2 TIP3 14179 -33.010 21.824 22.669 1.00 0.00 WAT +ATOM 48848 OH2 TIP3 14180 -40.350 22.034 25.108 1.00 0.00 WAT +ATOM 48849 H1 TIP3 14180 -40.265 21.253 25.669 1.00 0.00 WAT +ATOM 48850 H2 TIP3 14180 -39.539 22.516 25.312 1.00 0.00 WAT +ATOM 48851 OH2 TIP3 14181 -29.114 25.123 21.703 1.00 0.00 WAT +ATOM 48852 H1 TIP3 14181 -29.413 24.345 22.196 1.00 0.00 WAT +ATOM 48853 H2 TIP3 14181 -28.736 25.664 22.403 1.00 0.00 WAT +ATOM 48854 OH2 TIP3 14182 -39.568 26.569 23.499 1.00 0.00 WAT +ATOM 48855 H1 TIP3 14182 -39.871 25.668 23.267 1.00 0.00 WAT +ATOM 48856 H2 TIP3 14182 -38.651 26.383 23.739 1.00 0.00 WAT +ATOM 48857 OH2 TIP3 14183 -42.073 19.791 18.170 1.00 0.00 WAT +ATOM 48858 H1 TIP3 14183 -41.683 20.233 18.936 1.00 0.00 WAT +ATOM 48859 H2 TIP3 14183 -42.181 18.885 18.483 1.00 0.00 WAT +ATOM 48860 OH2 TIP3 14184 -42.082 22.219 21.001 1.00 0.00 WAT +ATOM 48861 H1 TIP3 14184 -41.640 21.451 21.408 1.00 0.00 WAT +ATOM 48862 H2 TIP3 14184 -41.365 22.578 20.471 1.00 0.00 WAT +ATOM 48863 OH2 TIP3 14185 -32.093 30.395 22.180 1.00 0.00 WAT +ATOM 48864 H1 TIP3 14185 -31.411 29.731 21.965 1.00 0.00 WAT +ATOM 48865 H2 TIP3 14185 -32.257 30.265 23.123 1.00 0.00 WAT +ATOM 48866 OH2 TIP3 14186 -33.798 25.008 24.100 1.00 0.00 WAT +ATOM 48867 H1 TIP3 14186 -33.805 24.402 23.335 1.00 0.00 WAT +ATOM 48868 H2 TIP3 14186 -33.538 24.371 24.775 1.00 0.00 WAT +ATOM 48869 OH2 TIP3 14187 -25.617 16.391 24.568 1.00 0.00 WAT +ATOM 48870 H1 TIP3 14187 -25.349 16.983 25.291 1.00 0.00 WAT +ATOM 48871 H2 TIP3 14187 -24.984 16.656 23.874 1.00 0.00 WAT +ATOM 48872 OH2 TIP3 14188 -30.993 19.191 24.432 1.00 0.00 WAT +ATOM 48873 H1 TIP3 14188 -30.805 18.240 24.509 1.00 0.00 WAT +ATOM 48874 H2 TIP3 14188 -31.058 19.293 23.468 1.00 0.00 WAT +ATOM 48875 OH2 TIP3 14189 -37.884 17.101 21.657 1.00 0.00 WAT +ATOM 48876 H1 TIP3 14189 -38.289 17.983 21.617 1.00 0.00 WAT +ATOM 48877 H2 TIP3 14189 -38.294 16.683 20.866 1.00 0.00 WAT +ATOM 48878 OH2 TIP3 14190 -30.142 17.393 19.859 1.00 0.00 WAT +ATOM 48879 H1 TIP3 14190 -29.559 16.956 20.518 1.00 0.00 WAT +ATOM 48880 H2 TIP3 14190 -29.481 17.811 19.287 1.00 0.00 WAT +ATOM 48881 OH2 TIP3 14191 -36.114 21.092 21.310 1.00 0.00 WAT +ATOM 48882 H1 TIP3 14191 -35.475 20.532 21.783 1.00 0.00 WAT +ATOM 48883 H2 TIP3 14191 -36.791 20.451 21.053 1.00 0.00 WAT +ATOM 48884 OH2 TIP3 14192 -24.870 17.735 27.055 1.00 0.00 WAT +ATOM 48885 H1 TIP3 14192 -25.470 18.452 26.781 1.00 0.00 WAT +ATOM 48886 H2 TIP3 14192 -25.020 17.736 28.012 1.00 0.00 WAT +ATOM 48887 OH2 TIP3 14193 -38.979 16.558 25.788 1.00 0.00 WAT +ATOM 48888 H1 TIP3 14193 -39.263 16.759 24.887 1.00 0.00 WAT +ATOM 48889 H2 TIP3 14193 -39.835 16.369 26.224 1.00 0.00 WAT +ATOM 48890 OH2 TIP3 14194 -31.736 25.735 19.122 1.00 0.00 WAT +ATOM 48891 H1 TIP3 14194 -31.986 25.474 18.231 1.00 0.00 WAT +ATOM 48892 H2 TIP3 14194 -32.176 26.597 19.229 1.00 0.00 WAT +ATOM 48893 OH2 TIP3 14195 -36.213 23.936 25.754 1.00 0.00 WAT +ATOM 48894 H1 TIP3 14195 -37.015 24.392 26.091 1.00 0.00 WAT +ATOM 48895 H2 TIP3 14195 -35.695 24.690 25.450 1.00 0.00 WAT +ATOM 48896 OH2 TIP3 14196 -28.325 16.621 21.873 1.00 0.00 WAT +ATOM 48897 H1 TIP3 14196 -28.694 16.003 22.517 1.00 0.00 WAT +ATOM 48898 H2 TIP3 14196 -27.776 17.191 22.437 1.00 0.00 WAT +ATOM 48899 OH2 TIP3 14197 -38.271 25.724 26.539 1.00 0.00 WAT +ATOM 48900 H1 TIP3 14197 -38.308 26.649 26.230 1.00 0.00 WAT +ATOM 48901 H2 TIP3 14197 -39.162 25.661 26.940 1.00 0.00 WAT +ATOM 48902 OH2 TIP3 14198 -41.813 25.395 17.429 1.00 0.00 WAT +ATOM 48903 H1 TIP3 14198 -42.637 25.544 16.922 1.00 0.00 WAT +ATOM 48904 H2 TIP3 14198 -41.932 25.983 18.193 1.00 0.00 WAT +ATOM 48905 OH2 TIP3 14199 -28.882 26.974 24.281 1.00 0.00 WAT +ATOM 48906 H1 TIP3 14199 -29.512 27.687 24.160 1.00 0.00 WAT +ATOM 48907 H2 TIP3 14199 -28.119 27.402 23.855 1.00 0.00 WAT +ATOM 48908 OH2 TIP3 14200 -28.190 15.758 25.714 1.00 0.00 WAT +ATOM 48909 H1 TIP3 14200 -28.953 16.152 25.253 1.00 0.00 WAT +ATOM 48910 H2 TIP3 14200 -27.455 15.951 25.102 1.00 0.00 WAT +ATOM 48911 OH2 TIP3 14201 -35.060 13.488 22.782 1.00 0.00 WAT +ATOM 48912 H1 TIP3 14201 -35.258 12.537 22.695 1.00 0.00 WAT +ATOM 48913 H2 TIP3 14201 -35.899 13.830 23.150 1.00 0.00 WAT +ATOM 48914 OH2 TIP3 14202 -30.170 28.790 20.910 1.00 0.00 WAT +ATOM 48915 H1 TIP3 14202 -29.761 28.019 20.460 1.00 0.00 WAT +ATOM 48916 H2 TIP3 14202 -29.563 29.500 20.639 1.00 0.00 WAT +ATOM 48917 OH2 TIP3 14203 -28.826 26.747 19.391 1.00 0.00 WAT +ATOM 48918 H1 TIP3 14203 -29.193 26.234 18.654 1.00 0.00 WAT +ATOM 48919 H2 TIP3 14203 -28.826 26.075 20.099 1.00 0.00 WAT +ATOM 48920 OH2 TIP3 14204 -27.378 25.558 27.836 1.00 0.00 WAT +ATOM 48921 H1 TIP3 14204 -27.302 24.847 27.173 1.00 0.00 WAT +ATOM 48922 H2 TIP3 14204 -27.025 26.333 27.365 1.00 0.00 WAT +ATOM 48923 OH2 TIP3 14205 -32.932 22.472 17.586 1.00 0.00 WAT +ATOM 48924 H1 TIP3 14205 -33.625 22.992 17.143 1.00 0.00 WAT +ATOM 48925 H2 TIP3 14205 -32.233 22.451 16.909 1.00 0.00 WAT +ATOM 48926 OH2 TIP3 14206 -32.667 20.621 14.627 1.00 0.00 WAT +ATOM 48927 H1 TIP3 14206 -31.949 20.926 15.211 1.00 0.00 WAT +ATOM 48928 H2 TIP3 14206 -32.177 20.032 14.035 1.00 0.00 WAT +ATOM 48929 OH2 TIP3 14207 -25.461 21.674 25.798 1.00 0.00 WAT +ATOM 48930 H1 TIP3 14207 -26.168 22.339 25.896 1.00 0.00 WAT +ATOM 48931 H2 TIP3 14207 -24.973 22.021 25.026 1.00 0.00 WAT +ATOM 48932 OH2 TIP3 14208 -29.447 22.434 18.643 1.00 0.00 WAT +ATOM 48933 H1 TIP3 14208 -30.128 22.614 19.327 1.00 0.00 WAT +ATOM 48934 H2 TIP3 14208 -28.833 21.859 19.139 1.00 0.00 WAT +ATOM 48935 OH2 TIP3 14209 -29.612 20.926 27.452 1.00 0.00 WAT +ATOM 48936 H1 TIP3 14209 -29.547 21.693 28.044 1.00 0.00 WAT +ATOM 48937 H2 TIP3 14209 -30.233 21.290 26.799 1.00 0.00 WAT +ATOM 48938 OH2 TIP3 14210 -37.743 23.236 20.370 1.00 0.00 WAT +ATOM 48939 H1 TIP3 14210 -38.188 22.823 19.603 1.00 0.00 WAT +ATOM 48940 H2 TIP3 14210 -37.232 22.479 20.714 1.00 0.00 WAT +ATOM 48941 OH2 TIP3 14211 -36.419 26.585 23.147 1.00 0.00 WAT +ATOM 48942 H1 TIP3 14211 -36.600 26.187 22.283 1.00 0.00 WAT +ATOM 48943 H2 TIP3 14211 -35.598 26.151 23.418 1.00 0.00 WAT +ATOM 48944 OH2 TIP3 14212 -37.122 21.912 23.953 1.00 0.00 WAT +ATOM 48945 H1 TIP3 14212 -36.673 22.066 23.108 1.00 0.00 WAT +ATOM 48946 H2 TIP3 14212 -36.817 22.648 24.510 1.00 0.00 WAT +ATOM 48947 OH2 TIP3 14213 -36.409 26.340 28.692 1.00 0.00 WAT +ATOM 48948 H1 TIP3 14213 -36.921 26.973 29.232 1.00 0.00 WAT +ATOM 48949 H2 TIP3 14213 -37.088 26.072 28.043 1.00 0.00 WAT +ATOM 48950 OH2 TIP3 14214 -30.505 21.895 16.086 1.00 0.00 WAT +ATOM 48951 H1 TIP3 14214 -30.011 22.138 16.896 1.00 0.00 WAT +ATOM 48952 H2 TIP3 14214 -29.996 22.390 15.398 1.00 0.00 WAT +ATOM 48953 OH2 TIP3 14215 -39.505 22.568 27.955 1.00 0.00 WAT +ATOM 48954 H1 TIP3 14215 -39.430 23.217 28.679 1.00 0.00 WAT +ATOM 48955 H2 TIP3 14215 -40.445 22.660 27.724 1.00 0.00 WAT +ATOM 48956 OH2 TIP3 14216 -32.938 28.483 19.645 1.00 0.00 WAT +ATOM 48957 H1 TIP3 14216 -32.467 28.793 20.429 1.00 0.00 WAT +ATOM 48958 H2 TIP3 14216 -33.605 29.162 19.507 1.00 0.00 WAT +ATOM 48959 OH2 TIP3 14217 -38.350 28.444 29.565 1.00 0.00 WAT +ATOM 48960 H1 TIP3 14217 -38.457 28.511 28.601 1.00 0.00 WAT +ATOM 48961 H2 TIP3 14217 -39.266 28.306 29.872 1.00 0.00 WAT +ATOM 48962 OH2 TIP3 14218 -27.071 13.627 15.549 1.00 0.00 WAT +ATOM 48963 H1 TIP3 14218 -27.918 13.718 16.022 1.00 0.00 WAT +ATOM 48964 H2 TIP3 14218 -26.696 14.518 15.628 1.00 0.00 WAT +ATOM 48965 OH2 TIP3 14219 -38.848 21.954 17.971 1.00 0.00 WAT +ATOM 48966 H1 TIP3 14219 -39.191 22.653 17.391 1.00 0.00 WAT +ATOM 48967 H2 TIP3 14219 -39.456 21.221 17.800 1.00 0.00 WAT +ATOM 48968 OH2 TIP3 14220 -25.674 27.768 14.171 1.00 0.00 WAT +ATOM 48969 H1 TIP3 14220 -25.498 28.705 14.377 1.00 0.00 WAT +ATOM 48970 H2 TIP3 14220 -24.794 27.363 14.308 1.00 0.00 WAT +ATOM 48971 OH2 TIP3 14221 -42.639 24.667 26.528 1.00 0.00 WAT +ATOM 48972 H1 TIP3 14221 -42.984 24.443 25.651 1.00 0.00 WAT +ATOM 48973 H2 TIP3 14221 -42.941 23.910 27.054 1.00 0.00 WAT +ATOM 48974 OH2 TIP3 14222 -42.765 27.635 23.391 1.00 0.00 WAT +ATOM 48975 H1 TIP3 14222 -41.981 27.128 23.632 1.00 0.00 WAT +ATOM 48976 H2 TIP3 14222 -43.060 27.975 24.244 1.00 0.00 WAT +ATOM 48977 OH2 TIP3 14223 -24.434 28.146 29.351 1.00 0.00 WAT +ATOM 48978 H1 TIP3 14223 -24.528 27.186 29.220 1.00 0.00 WAT +ATOM 48979 H2 TIP3 14223 -25.333 28.384 29.670 1.00 0.00 WAT +ATOM 48980 OH2 TIP3 14224 -33.779 27.419 28.150 1.00 0.00 WAT +ATOM 48981 H1 TIP3 14224 -33.711 28.213 28.729 1.00 0.00 WAT +ATOM 48982 H2 TIP3 14224 -34.669 27.088 28.397 1.00 0.00 WAT +ATOM 48983 OH2 TIP3 14225 -39.741 30.306 19.777 1.00 0.00 WAT +ATOM 48984 H1 TIP3 14225 -39.551 29.892 20.645 1.00 0.00 WAT +ATOM 48985 H2 TIP3 14225 -40.533 29.796 19.532 1.00 0.00 WAT +ATOM 48986 OH2 TIP3 14226 -30.183 30.641 15.323 1.00 0.00 WAT +ATOM 48987 H1 TIP3 14226 -29.597 30.015 14.846 1.00 0.00 WAT +ATOM 48988 H2 TIP3 14226 -30.130 30.294 16.229 1.00 0.00 WAT +ATOM 48989 OH2 TIP3 14227 -30.966 30.576 18.201 1.00 0.00 WAT +ATOM 48990 H1 TIP3 14227 -31.833 30.165 18.091 1.00 0.00 WAT +ATOM 48991 H2 TIP3 14227 -30.459 29.841 18.573 1.00 0.00 WAT +ATOM 48992 OH2 TIP3 14228 -27.627 19.535 29.787 1.00 0.00 WAT +ATOM 48993 H1 TIP3 14228 -28.147 19.870 29.050 1.00 0.00 WAT +ATOM 48994 H2 TIP3 14228 -27.587 18.580 29.598 1.00 0.00 WAT +ATOM 48995 OH2 TIP3 14229 -40.685 26.138 27.888 1.00 0.00 WAT +ATOM 48996 H1 TIP3 14229 -40.447 25.622 28.679 1.00 0.00 WAT +ATOM 48997 H2 TIP3 14229 -41.501 25.691 27.568 1.00 0.00 WAT +ATOM 48998 OH2 TIP3 14230 -37.528 14.569 23.765 1.00 0.00 WAT +ATOM 48999 H1 TIP3 14230 -38.324 14.526 23.201 1.00 0.00 WAT +ATOM 49000 H2 TIP3 14230 -37.562 15.491 24.057 1.00 0.00 WAT +ATOM 49001 OH2 TIP3 14231 -33.113 14.200 27.296 1.00 0.00 WAT +ATOM 49002 H1 TIP3 14231 -32.596 13.676 27.941 1.00 0.00 WAT +ATOM 49003 H2 TIP3 14231 -34.029 13.936 27.481 1.00 0.00 WAT +ATOM 49004 OH2 TIP3 14232 -30.004 17.987 27.804 1.00 0.00 WAT +ATOM 49005 H1 TIP3 14232 -30.527 17.843 28.613 1.00 0.00 WAT +ATOM 49006 H2 TIP3 14232 -30.001 18.955 27.708 1.00 0.00 WAT +ATOM 49007 OH2 TIP3 14233 -28.942 22.982 14.105 1.00 0.00 WAT +ATOM 49008 H1 TIP3 14233 -29.153 22.777 13.173 1.00 0.00 WAT +ATOM 49009 H2 TIP3 14233 -27.990 23.181 14.028 1.00 0.00 WAT +ATOM 49010 OH2 TIP3 14234 -33.302 16.723 14.597 1.00 0.00 WAT +ATOM 49011 H1 TIP3 14234 -33.794 16.581 15.420 1.00 0.00 WAT +ATOM 49012 H2 TIP3 14234 -33.708 16.045 14.029 1.00 0.00 WAT +ATOM 49013 OH2 TIP3 14235 -37.825 19.271 25.089 1.00 0.00 WAT +ATOM 49014 H1 TIP3 14235 -38.726 19.487 25.383 1.00 0.00 WAT +ATOM 49015 H2 TIP3 14235 -37.711 19.947 24.393 1.00 0.00 WAT +ATOM 49016 OH2 TIP3 14236 -32.076 20.073 18.773 1.00 0.00 WAT +ATOM 49017 H1 TIP3 14236 -32.490 20.882 18.405 1.00 0.00 WAT +ATOM 49018 H2 TIP3 14236 -31.394 19.888 18.104 1.00 0.00 WAT +ATOM 49019 OH2 TIP3 14237 -32.900 20.247 30.085 1.00 0.00 WAT +ATOM 49020 H1 TIP3 14237 -33.385 19.480 30.443 1.00 0.00 WAT +ATOM 49021 H2 TIP3 14237 -32.022 20.136 30.502 1.00 0.00 WAT +ATOM 49022 OH2 TIP3 14238 -31.281 19.470 21.553 1.00 0.00 WAT +ATOM 49023 H1 TIP3 14238 -31.557 20.016 20.790 1.00 0.00 WAT +ATOM 49024 H2 TIP3 14238 -31.041 18.651 21.074 1.00 0.00 WAT +ATOM 49025 OH2 TIP3 14239 -40.027 19.410 26.990 1.00 0.00 WAT +ATOM 49026 H1 TIP3 14239 -40.197 20.028 27.719 1.00 0.00 WAT +ATOM 49027 H2 TIP3 14239 -40.699 18.725 27.142 1.00 0.00 WAT +ATOM 49028 OH2 TIP3 14240 -36.858 17.136 13.516 1.00 0.00 WAT +ATOM 49029 H1 TIP3 14240 -37.240 16.806 14.352 1.00 0.00 WAT +ATOM 49030 H2 TIP3 14240 -37.641 17.320 12.985 1.00 0.00 WAT +ATOM 49031 OH2 TIP3 14241 -43.329 16.995 20.701 1.00 0.00 WAT +ATOM 49032 H1 TIP3 14241 -42.782 17.051 21.500 1.00 0.00 WAT +ATOM 49033 H2 TIP3 14241 -42.729 16.602 20.059 1.00 0.00 WAT +ATOM 49034 OH2 TIP3 14242 -42.114 17.486 16.305 1.00 0.00 WAT +ATOM 49035 H1 TIP3 14242 -41.471 17.848 15.671 1.00 0.00 WAT +ATOM 49036 H2 TIP3 14242 -42.768 18.192 16.341 1.00 0.00 WAT +ATOM 49037 OH2 TIP3 14243 -32.166 21.127 25.957 1.00 0.00 WAT +ATOM 49038 H1 TIP3 14243 -31.684 20.411 25.480 1.00 0.00 WAT +ATOM 49039 H2 TIP3 14243 -32.423 20.668 26.769 1.00 0.00 WAT +ATOM 49040 OH2 TIP3 14244 -35.004 17.098 21.014 1.00 0.00 WAT +ATOM 49041 H1 TIP3 14244 -35.961 17.056 21.213 1.00 0.00 WAT +ATOM 49042 H2 TIP3 14244 -34.615 16.866 21.872 1.00 0.00 WAT +ATOM 49043 OH2 TIP3 14245 -36.834 18.564 17.439 1.00 0.00 WAT +ATOM 49044 H1 TIP3 14245 -35.909 18.794 17.618 1.00 0.00 WAT +ATOM 49045 H2 TIP3 14245 -37.155 19.301 16.895 1.00 0.00 WAT +ATOM 49046 OH2 TIP3 14246 -30.524 16.237 24.018 1.00 0.00 WAT +ATOM 49047 H1 TIP3 14246 -31.171 16.225 24.754 1.00 0.00 WAT +ATOM 49048 H2 TIP3 14246 -31.078 15.882 23.301 1.00 0.00 WAT +ATOM 49049 OH2 TIP3 14247 -38.222 19.871 15.155 1.00 0.00 WAT +ATOM 49050 H1 TIP3 14247 -38.803 19.567 14.440 1.00 0.00 WAT +ATOM 49051 H2 TIP3 14247 -37.394 20.039 14.671 1.00 0.00 WAT +ATOM 49052 OH2 TIP3 14248 -27.512 31.991 30.663 1.00 0.00 WAT +ATOM 49053 H1 TIP3 14248 -27.270 32.465 29.849 1.00 0.00 WAT +ATOM 49054 H2 TIP3 14248 -26.835 32.310 31.285 1.00 0.00 WAT +ATOM 49055 OH2 TIP3 14249 -39.551 24.610 30.110 1.00 0.00 WAT +ATOM 49056 H1 TIP3 14249 -38.929 24.661 30.867 1.00 0.00 WAT +ATOM 49057 H2 TIP3 14249 -40.399 24.713 30.593 1.00 0.00 WAT +ATOM 49058 OH2 TIP3 14250 -33.982 19.537 23.002 1.00 0.00 WAT +ATOM 49059 H1 TIP3 14250 -33.279 19.208 22.424 1.00 0.00 WAT +ATOM 49060 H2 TIP3 14250 -33.976 18.882 23.713 1.00 0.00 WAT +ATOM 49061 OH2 TIP3 14251 -38.711 16.019 19.272 1.00 0.00 WAT +ATOM 49062 H1 TIP3 14251 -39.212 15.222 19.077 1.00 0.00 WAT +ATOM 49063 H2 TIP3 14251 -38.005 15.994 18.614 1.00 0.00 WAT +ATOM 49064 OH2 TIP3 14252 -35.338 17.782 25.443 1.00 0.00 WAT +ATOM 49065 H1 TIP3 14252 -35.888 18.484 25.064 1.00 0.00 WAT +ATOM 49066 H2 TIP3 14252 -34.666 18.259 25.964 1.00 0.00 WAT +ATOM 49067 OH2 TIP3 14253 -34.833 24.528 16.966 1.00 0.00 WAT +ATOM 49068 H1 TIP3 14253 -35.561 23.975 16.607 1.00 0.00 WAT +ATOM 49069 H2 TIP3 14253 -34.980 24.476 17.934 1.00 0.00 WAT +ATOM 49070 OH2 TIP3 14254 -27.536 23.644 25.700 1.00 0.00 WAT +ATOM 49071 H1 TIP3 14254 -27.052 24.157 25.020 1.00 0.00 WAT +ATOM 49072 H2 TIP3 14254 -28.412 23.533 25.289 1.00 0.00 WAT +ATOM 49073 OH2 TIP3 14255 -30.620 17.294 14.747 1.00 0.00 WAT +ATOM 49074 H1 TIP3 14255 -31.603 17.279 14.703 1.00 0.00 WAT +ATOM 49075 H2 TIP3 14255 -30.432 18.033 15.358 1.00 0.00 WAT +ATOM 49076 OH2 TIP3 14256 -33.156 24.563 28.081 1.00 0.00 WAT +ATOM 49077 H1 TIP3 14256 -33.367 24.075 28.891 1.00 0.00 WAT +ATOM 49078 H2 TIP3 14256 -33.476 25.451 28.288 1.00 0.00 WAT +ATOM 49079 OH2 TIP3 14257 -29.944 19.143 16.804 1.00 0.00 WAT +ATOM 49080 H1 TIP3 14257 -29.062 18.957 17.181 1.00 0.00 WAT +ATOM 49081 H2 TIP3 14257 -29.806 19.996 16.357 1.00 0.00 WAT +ATOM 49082 OH2 TIP3 14258 -39.615 23.811 22.754 1.00 0.00 WAT +ATOM 49083 H1 TIP3 14258 -39.094 23.680 21.945 1.00 0.00 WAT +ATOM 49084 H2 TIP3 14258 -39.703 22.897 23.074 1.00 0.00 WAT +ATOM 49085 OH2 TIP3 14259 -32.390 25.844 15.878 1.00 0.00 WAT +ATOM 49086 H1 TIP3 14259 -32.627 26.670 16.330 1.00 0.00 WAT +ATOM 49087 H2 TIP3 14259 -33.112 25.251 16.154 1.00 0.00 WAT +ATOM 49088 OH2 TIP3 14260 -42.454 22.282 28.267 1.00 0.00 WAT +ATOM 49089 H1 TIP3 14260 -42.373 21.676 29.025 1.00 0.00 WAT +ATOM 49090 H2 TIP3 14260 -42.900 21.719 27.596 1.00 0.00 WAT +ATOM 49091 OH2 TIP3 14261 -35.436 21.613 29.994 1.00 0.00 WAT +ATOM 49092 H1 TIP3 14261 -35.680 21.422 29.071 1.00 0.00 WAT +ATOM 49093 H2 TIP3 14261 -34.499 21.340 29.984 1.00 0.00 WAT +ATOM 49094 OH2 TIP3 14262 -31.066 27.049 27.613 1.00 0.00 WAT +ATOM 49095 H1 TIP3 14262 -31.975 27.253 27.923 1.00 0.00 WAT +ATOM 49096 H2 TIP3 14262 -30.578 27.233 28.440 1.00 0.00 WAT +ATOM 49097 OH2 TIP3 14263 -25.359 19.118 16.543 1.00 0.00 WAT +ATOM 49098 H1 TIP3 14263 -25.900 18.914 15.756 1.00 0.00 WAT +ATOM 49099 H2 TIP3 14263 -25.237 20.077 16.392 1.00 0.00 WAT +ATOM 49100 OH2 TIP3 14264 -24.914 25.174 29.322 1.00 0.00 WAT +ATOM 49101 H1 TIP3 14264 -25.853 25.388 29.164 1.00 0.00 WAT +ATOM 49102 H2 TIP3 14264 -24.586 24.985 28.420 1.00 0.00 WAT +ATOM 49103 OH2 TIP3 14265 -27.176 27.718 16.629 1.00 0.00 WAT +ATOM 49104 H1 TIP3 14265 -27.330 26.905 17.130 1.00 0.00 WAT +ATOM 49105 H2 TIP3 14265 -26.614 27.412 15.899 1.00 0.00 WAT +ATOM 49106 OH2 TIP3 14266 -29.963 23.204 23.951 1.00 0.00 WAT +ATOM 49107 H1 TIP3 14266 -30.884 22.904 23.842 1.00 0.00 WAT +ATOM 49108 H2 TIP3 14266 -29.485 22.450 23.555 1.00 0.00 WAT +ATOM 49109 OH2 TIP3 14267 -37.255 27.146 20.033 1.00 0.00 WAT +ATOM 49110 H1 TIP3 14267 -36.885 28.034 19.920 1.00 0.00 WAT +ATOM 49111 H2 TIP3 14267 -38.194 27.295 19.850 1.00 0.00 WAT +ATOM 49112 OH2 TIP3 14268 -41.514 22.108 14.767 1.00 0.00 WAT +ATOM 49113 H1 TIP3 14268 -40.805 22.670 15.140 1.00 0.00 WAT +ATOM 49114 H2 TIP3 14268 -42.281 22.678 14.905 1.00 0.00 WAT +ATOM 49115 OH2 TIP3 14269 -35.398 24.869 19.790 1.00 0.00 WAT +ATOM 49116 H1 TIP3 14269 -35.814 25.747 19.823 1.00 0.00 WAT +ATOM 49117 H2 TIP3 14269 -36.135 24.300 20.073 1.00 0.00 WAT +ATOM 49118 OH2 TIP3 14270 -35.203 29.056 25.968 1.00 0.00 WAT +ATOM 49119 H1 TIP3 14270 -34.727 29.879 25.766 1.00 0.00 WAT +ATOM 49120 H2 TIP3 14270 -34.682 28.702 26.705 1.00 0.00 WAT +ATOM 49121 OH2 TIP3 14271 -36.779 30.091 19.224 1.00 0.00 WAT +ATOM 49122 H1 TIP3 14271 -37.740 30.144 19.352 1.00 0.00 WAT +ATOM 49123 H2 TIP3 14271 -36.491 30.978 19.508 1.00 0.00 WAT +ATOM 49124 OH2 TIP3 14272 -29.685 26.189 14.526 1.00 0.00 WAT +ATOM 49125 H1 TIP3 14272 -29.258 25.707 15.258 1.00 0.00 WAT +ATOM 49126 H2 TIP3 14272 -30.613 25.999 14.741 1.00 0.00 WAT +ATOM 49127 OH2 TIP3 14273 -28.919 29.382 27.922 1.00 0.00 WAT +ATOM 49128 H1 TIP3 14273 -29.716 29.031 27.493 1.00 0.00 WAT +ATOM 49129 H2 TIP3 14273 -28.776 30.225 27.449 1.00 0.00 WAT +ATOM 49130 OH2 TIP3 14274 -25.054 30.495 15.136 1.00 0.00 WAT +ATOM 49131 H1 TIP3 14274 -24.316 31.065 14.855 1.00 0.00 WAT +ATOM 49132 H2 TIP3 14274 -25.795 31.108 14.988 1.00 0.00 WAT +ATOM 49133 OH2 TIP3 14275 -41.051 16.759 27.645 1.00 0.00 WAT +ATOM 49134 H1 TIP3 14275 -41.884 17.231 27.812 1.00 0.00 WAT +ATOM 49135 H2 TIP3 14275 -41.180 15.919 28.123 1.00 0.00 WAT +ATOM 49136 OH2 TIP3 14276 -28.722 24.811 16.958 1.00 0.00 WAT +ATOM 49137 H1 TIP3 14276 -28.985 24.033 17.480 1.00 0.00 WAT +ATOM 49138 H2 TIP3 14276 -27.750 24.728 16.965 1.00 0.00 WAT +ATOM 49139 OH2 TIP3 14277 -41.228 28.571 26.096 1.00 0.00 WAT +ATOM 49140 H1 TIP3 14277 -41.109 27.621 26.232 1.00 0.00 WAT +ATOM 49141 H2 TIP3 14277 -40.990 28.905 26.968 1.00 0.00 WAT +ATOM 49142 OH2 TIP3 14278 -35.427 27.217 13.105 1.00 0.00 WAT +ATOM 49143 H1 TIP3 14278 -35.154 26.443 12.578 1.00 0.00 WAT +ATOM 49144 H2 TIP3 14278 -35.890 26.784 13.844 1.00 0.00 WAT +ATOM 49145 OH2 TIP3 14279 -36.610 26.726 15.782 1.00 0.00 WAT +ATOM 49146 H1 TIP3 14279 -36.139 26.162 16.414 1.00 0.00 WAT +ATOM 49147 H2 TIP3 14279 -36.479 27.625 16.145 1.00 0.00 WAT +ATOM 49148 OH2 TIP3 14280 -39.864 24.122 16.136 1.00 0.00 WAT +ATOM 49149 H1 TIP3 14280 -40.567 24.529 16.700 1.00 0.00 WAT +ATOM 49150 H2 TIP3 14280 -39.374 24.925 15.904 1.00 0.00 WAT +ATOM 49151 OH2 TIP3 14281 -32.137 16.650 26.206 1.00 0.00 WAT +ATOM 49152 H1 TIP3 14281 -31.480 16.904 26.875 1.00 0.00 WAT +ATOM 49153 H2 TIP3 14281 -32.580 15.882 26.618 1.00 0.00 WAT +ATOM 49154 OH2 TIP3 14282 -31.472 16.074 17.474 1.00 0.00 WAT +ATOM 49155 H1 TIP3 14282 -31.281 16.592 16.676 1.00 0.00 WAT +ATOM 49156 H2 TIP3 14282 -31.009 16.581 18.162 1.00 0.00 WAT +ATOM 49157 OH2 TIP3 14283 -33.576 28.640 16.536 1.00 0.00 WAT +ATOM 49158 H1 TIP3 14283 -34.527 28.847 16.543 1.00 0.00 WAT +ATOM 49159 H2 TIP3 14283 -33.348 28.756 15.599 1.00 0.00 WAT +ATOM 49160 OH2 TIP3 14284 -34.063 18.027 18.403 1.00 0.00 WAT +ATOM 49161 H1 TIP3 14284 -33.315 18.639 18.548 1.00 0.00 WAT +ATOM 49162 H2 TIP3 14284 -34.409 17.907 19.306 1.00 0.00 WAT +ATOM 49163 OH2 TIP3 14285 -33.699 18.997 27.573 1.00 0.00 WAT +ATOM 49164 H1 TIP3 14285 -33.584 19.487 28.407 1.00 0.00 WAT +ATOM 49165 H2 TIP3 14285 -33.131 18.228 27.725 1.00 0.00 WAT +ATOM 49166 OH2 TIP3 14286 -33.463 15.084 19.380 1.00 0.00 WAT +ATOM 49167 H1 TIP3 14286 -33.678 15.799 20.006 1.00 0.00 WAT +ATOM 49168 H2 TIP3 14286 -32.749 15.498 18.854 1.00 0.00 WAT +ATOM 49169 OH2 TIP3 14287 -36.388 29.417 16.431 1.00 0.00 WAT +ATOM 49170 H1 TIP3 14287 -36.569 30.190 15.861 1.00 0.00 WAT +ATOM 49171 H2 TIP3 14287 -36.625 29.757 17.315 1.00 0.00 WAT +ATOM 49172 OH2 TIP3 14288 -37.759 16.181 16.025 1.00 0.00 WAT +ATOM 49173 H1 TIP3 14288 -37.676 17.007 16.541 1.00 0.00 WAT +ATOM 49174 H2 TIP3 14288 -36.917 15.740 16.257 1.00 0.00 WAT +ATOM 49175 OH2 TIP3 14289 -27.420 16.999 28.461 1.00 0.00 WAT +ATOM 49176 H1 TIP3 14289 -28.377 17.096 28.307 1.00 0.00 WAT +ATOM 49177 H2 TIP3 14289 -27.142 16.774 27.562 1.00 0.00 WAT +ATOM 49178 OH2 TIP3 14290 -28.924 20.862 22.516 1.00 0.00 WAT +ATOM 49179 H1 TIP3 14290 -29.727 20.392 22.229 1.00 0.00 WAT +ATOM 49180 H2 TIP3 14290 -28.420 20.148 22.966 1.00 0.00 WAT +ATOM 49181 OH2 TIP3 14291 -39.298 27.003 14.958 1.00 0.00 WAT +ATOM 49182 H1 TIP3 14291 -38.511 27.397 15.364 1.00 0.00 WAT +ATOM 49183 H2 TIP3 14291 -38.877 26.427 14.305 1.00 0.00 WAT +ATOM 49184 OH2 TIP3 14292 -41.080 19.154 14.087 1.00 0.00 WAT +ATOM 49185 H1 TIP3 14292 -41.100 20.091 14.339 1.00 0.00 WAT +ATOM 49186 H2 TIP3 14292 -41.941 18.988 13.693 1.00 0.00 WAT +ATOM 49187 OH2 TIP3 14293 -27.909 29.670 23.865 1.00 0.00 WAT +ATOM 49188 H1 TIP3 14293 -28.022 30.502 23.361 1.00 0.00 WAT +ATOM 49189 H2 TIP3 14293 -26.979 29.770 24.127 1.00 0.00 WAT +ATOM 49190 OH2 TIP3 14294 -40.311 14.143 22.850 1.00 0.00 WAT +ATOM 49191 H1 TIP3 14294 -40.589 14.094 21.915 1.00 0.00 WAT +ATOM 49192 H2 TIP3 14294 -40.726 13.337 23.219 1.00 0.00 WAT +ATOM 49193 OH2 TIP3 14295 -41.330 27.814 19.133 1.00 0.00 WAT +ATOM 49194 H1 TIP3 14295 -42.264 28.073 19.208 1.00 0.00 WAT +ATOM 49195 H2 TIP3 14295 -41.090 28.174 18.269 1.00 0.00 WAT +ATOM 49196 OH2 TIP3 14296 -42.130 30.556 30.306 1.00 0.00 WAT +ATOM 49197 H1 TIP3 14296 -41.519 30.498 31.061 1.00 0.00 WAT +ATOM 49198 H2 TIP3 14296 -42.281 29.610 30.175 1.00 0.00 WAT +ATOM 49199 OH2 TIP3 14297 -37.247 29.666 32.045 1.00 0.00 WAT +ATOM 49200 H1 TIP3 14297 -36.581 29.006 32.290 1.00 0.00 WAT +ATOM 49201 H2 TIP3 14297 -37.502 29.365 31.160 1.00 0.00 WAT +ATOM 49202 OH2 TIP3 14298 -33.228 28.869 13.717 1.00 0.00 WAT +ATOM 49203 H1 TIP3 14298 -33.983 28.284 13.484 1.00 0.00 WAT +ATOM 49204 H2 TIP3 14298 -32.507 28.411 13.251 1.00 0.00 WAT +ATOM 49205 OH2 TIP3 14299 -30.752 27.872 30.601 1.00 0.00 WAT +ATOM 49206 H1 TIP3 14299 -31.168 27.106 31.039 1.00 0.00 WAT +ATOM 49207 H2 TIP3 14299 -30.099 28.149 31.271 1.00 0.00 WAT +ATOM 49208 OH2 TIP3 14300 -28.604 28.861 13.729 1.00 0.00 WAT +ATOM 49209 H1 TIP3 14300 -28.466 28.022 14.201 1.00 0.00 WAT +ATOM 49210 H2 TIP3 14300 -27.829 28.886 13.138 1.00 0.00 WAT +ATOM 49211 OH2 TIP3 14301 -42.042 24.522 30.953 1.00 0.00 WAT +ATOM 49212 H1 TIP3 14301 -41.938 23.679 30.492 1.00 0.00 WAT +ATOM 49213 H2 TIP3 14301 -42.880 24.862 30.595 1.00 0.00 WAT +ATOM 49214 OH2 TIP3 14302 -37.801 24.652 13.437 1.00 0.00 WAT +ATOM 49215 H1 TIP3 14302 -37.632 24.039 14.171 1.00 0.00 WAT +ATOM 49216 H2 TIP3 14302 -36.958 24.588 12.947 1.00 0.00 WAT +ATOM 49217 OH2 TIP3 14303 -35.340 24.424 30.697 1.00 0.00 WAT +ATOM 49218 H1 TIP3 14303 -35.695 24.740 29.852 1.00 0.00 WAT +ATOM 49219 H2 TIP3 14303 -35.287 23.457 30.567 1.00 0.00 WAT +ATOM 49220 OH2 TIP3 14304 -32.563 25.963 13.030 1.00 0.00 WAT +ATOM 49221 H1 TIP3 14304 -32.604 25.907 14.000 1.00 0.00 WAT +ATOM 49222 H2 TIP3 14304 -32.603 25.008 12.805 1.00 0.00 WAT +ATOM 49223 OH2 TIP3 14305 -30.065 24.007 27.901 1.00 0.00 WAT +ATOM 49224 H1 TIP3 14305 -29.275 24.572 27.873 1.00 0.00 WAT +ATOM 49225 H2 TIP3 14305 -30.788 24.629 28.067 1.00 0.00 WAT +ATOM 49226 OH2 TIP3 14306 -41.346 21.264 30.674 1.00 0.00 WAT +ATOM 49227 H1 TIP3 14306 -40.583 20.664 30.620 1.00 0.00 WAT +ATOM 49228 H2 TIP3 14306 -41.256 21.598 31.579 1.00 0.00 WAT +ATOM 49229 OH2 TIP3 14307 -36.719 22.723 15.775 1.00 0.00 WAT +ATOM 49230 H1 TIP3 14307 -37.317 22.216 16.346 1.00 0.00 WAT +ATOM 49231 H2 TIP3 14307 -36.438 22.034 15.136 1.00 0.00 WAT +ATOM 49232 OH2 TIP3 14308 -37.339 20.214 27.862 1.00 0.00 WAT +ATOM 49233 H1 TIP3 14308 -37.917 20.899 28.245 1.00 0.00 WAT +ATOM 49234 H2 TIP3 14308 -36.756 20.753 27.292 1.00 0.00 WAT +ATOM 49235 OH2 TIP3 14309 -35.758 20.755 14.007 1.00 0.00 WAT +ATOM 49236 H1 TIP3 14309 -35.793 20.820 13.036 1.00 0.00 WAT +ATOM 49237 H2 TIP3 14309 -34.798 20.692 14.164 1.00 0.00 WAT +ATOM 49238 OH2 TIP3 14310 -32.197 23.171 31.510 1.00 0.00 WAT +ATOM 49239 H1 TIP3 14310 -31.266 23.004 31.300 1.00 0.00 WAT +ATOM 49240 H2 TIP3 14310 -32.424 22.370 32.005 1.00 0.00 WAT +ATOM 49241 OH2 TIP3 14311 -26.281 23.240 13.344 1.00 0.00 WAT +ATOM 49242 H1 TIP3 14311 -26.333 22.809 12.476 1.00 0.00 WAT +ATOM 49243 H2 TIP3 14311 -26.310 24.183 13.080 1.00 0.00 WAT +ATOM 49244 OH2 TIP3 14312 -35.060 21.716 27.038 1.00 0.00 WAT +ATOM 49245 H1 TIP3 14312 -34.234 21.558 26.556 1.00 0.00 WAT +ATOM 49246 H2 TIP3 14312 -35.349 22.572 26.669 1.00 0.00 WAT +ATOM 49247 OH2 TIP3 14313 -30.433 19.616 31.760 1.00 0.00 WAT +ATOM 49248 H1 TIP3 14313 -30.222 18.689 31.949 1.00 0.00 WAT +ATOM 49249 H2 TIP3 14313 -29.537 19.999 31.775 1.00 0.00 WAT +ATOM 49250 OH2 TIP3 14314 -29.497 22.449 30.186 1.00 0.00 WAT +ATOM 49251 H1 TIP3 14314 -29.801 23.062 29.494 1.00 0.00 WAT +ATOM 49252 H2 TIP3 14314 -28.579 22.284 29.893 1.00 0.00 WAT +ATOM 49253 OH2 TIP3 14315 -38.628 19.511 30.576 1.00 0.00 WAT +ATOM 49254 H1 TIP3 14315 -39.159 18.731 30.811 1.00 0.00 WAT +ATOM 49255 H2 TIP3 14315 -37.720 19.189 30.593 1.00 0.00 WAT +ATOM 49256 OH2 TIP3 14316 -36.043 14.035 26.972 1.00 0.00 WAT +ATOM 49257 H1 TIP3 14316 -36.090 14.890 26.528 1.00 0.00 WAT +ATOM 49258 H2 TIP3 14316 -36.629 13.489 26.412 1.00 0.00 WAT +ATOM 49259 OH2 TIP3 14317 -34.739 18.154 30.642 1.00 0.00 WAT +ATOM 49260 H1 TIP3 14317 -34.889 17.892 31.567 1.00 0.00 WAT +ATOM 49261 H2 TIP3 14317 -35.551 17.835 30.239 1.00 0.00 WAT +ATOM 49262 OH2 TIP3 14318 -32.090 17.201 29.636 1.00 0.00 WAT +ATOM 49263 H1 TIP3 14318 -32.967 17.182 30.051 1.00 0.00 WAT +ATOM 49264 H2 TIP3 14318 -31.585 16.584 30.207 1.00 0.00 WAT +ATOM 49265 OH2 TIP3 14319 -30.313 15.681 31.276 1.00 0.00 WAT +ATOM 49266 H1 TIP3 14319 -30.350 14.724 31.474 1.00 0.00 WAT +ATOM 49267 H2 TIP3 14319 -30.369 16.093 32.159 1.00 0.00 WAT +ATOM 49268 OH2 TIP3 14320 -40.075 17.028 30.720 1.00 0.00 WAT +ATOM 49269 H1 TIP3 14320 -40.254 16.255 30.155 1.00 0.00 WAT +ATOM 49270 H2 TIP3 14320 -40.270 16.658 31.604 1.00 0.00 WAT +ATOM 49271 OH2 TIP3 14321 -36.000 13.088 29.738 1.00 0.00 WAT +ATOM 49272 H1 TIP3 14321 -35.432 12.298 29.776 1.00 0.00 WAT +ATOM 49273 H2 TIP3 14321 -36.032 13.263 28.778 1.00 0.00 WAT +ATOM 49274 OH2 TIP3 14322 -35.025 14.966 31.537 1.00 0.00 WAT +ATOM 49275 H1 TIP3 14322 -35.350 14.317 30.877 1.00 0.00 WAT +ATOM 49276 H2 TIP3 14322 -35.804 15.508 31.711 1.00 0.00 WAT +ATOM 49277 OH2 TIP3 14323 -36.014 32.108 15.164 1.00 0.00 WAT +ATOM 49278 H1 TIP3 14323 -35.053 32.081 15.170 1.00 0.00 WAT +ATOM 49279 H2 TIP3 14323 -36.183 32.410 14.258 1.00 0.00 WAT +ATOM 49280 OH2 TIP3 14324 -41.983 26.876 14.184 1.00 0.00 WAT +ATOM 49281 H1 TIP3 14324 -41.235 26.798 14.805 1.00 0.00 WAT +ATOM 49282 H2 TIP3 14324 -42.199 25.952 13.989 1.00 0.00 WAT +ATOM 49283 OH2 TIP3 14325 -42.735 29.659 21.334 1.00 0.00 WAT +ATOM 49284 H1 TIP3 14325 -42.766 28.767 21.728 1.00 0.00 WAT +ATOM 49285 H2 TIP3 14325 -42.440 30.162 22.106 1.00 0.00 WAT +ATOM 49286 OH2 TIP3 14326 -25.170 30.847 24.382 1.00 0.00 WAT +ATOM 49287 H1 TIP3 14326 -24.985 30.830 25.334 1.00 0.00 WAT +ATOM 49288 H2 TIP3 14326 -24.313 31.130 24.030 1.00 0.00 WAT +ATOM 49289 OH2 TIP3 14327 -25.276 30.292 27.245 1.00 0.00 WAT +ATOM 49290 H1 TIP3 14327 -25.744 29.517 26.884 1.00 0.00 WAT +ATOM 49291 H2 TIP3 14327 -24.703 29.855 27.895 1.00 0.00 WAT +ATOM 49292 OH2 TIP3 14328 -27.268 25.731 31.491 1.00 0.00 WAT +ATOM 49293 H1 TIP3 14328 -28.126 25.753 31.949 1.00 0.00 WAT +ATOM 49294 H2 TIP3 14328 -26.808 26.504 31.861 1.00 0.00 WAT +ATOM 49295 OH2 TIP3 14329 -25.888 24.651 17.296 1.00 0.00 WAT +ATOM 49296 H1 TIP3 14329 -24.970 24.966 17.419 1.00 0.00 WAT +ATOM 49297 H2 TIP3 14329 -25.931 23.985 18.008 1.00 0.00 WAT +ATOM 49298 OH2 TIP3 14330 -25.433 22.630 19.270 1.00 0.00 WAT +ATOM 49299 H1 TIP3 14330 -26.060 22.010 19.686 1.00 0.00 WAT +ATOM 49300 H2 TIP3 14330 -24.707 22.692 19.922 1.00 0.00 WAT +ATOM 49301 OH2 TIP3 14331 -25.780 25.168 24.137 1.00 0.00 WAT +ATOM 49302 H1 TIP3 14331 -25.142 24.597 23.676 1.00 0.00 WAT +ATOM 49303 H2 TIP3 14331 -25.424 26.051 23.928 1.00 0.00 WAT +ATOM 49304 OH2 TIP3 14332 -26.933 28.006 26.449 1.00 0.00 WAT +ATOM 49305 H1 TIP3 14332 -27.627 28.409 27.002 1.00 0.00 WAT +ATOM 49306 H2 TIP3 14332 -27.445 27.605 25.732 1.00 0.00 WAT +ATOM 49307 OH2 TIP3 14333 -25.187 22.003 15.853 1.00 0.00 WAT +ATOM 49308 H1 TIP3 14333 -25.662 22.299 15.054 1.00 0.00 WAT +ATOM 49309 H2 TIP3 14333 -25.250 22.789 16.415 1.00 0.00 WAT +ATOM 49310 OH2 TIP3 14334 -26.905 19.608 14.093 1.00 0.00 WAT +ATOM 49311 H1 TIP3 14334 -26.593 20.171 13.371 1.00 0.00 WAT +ATOM 49312 H2 TIP3 14334 -27.119 18.772 13.632 1.00 0.00 WAT +ATOM 49313 OH2 TIP3 14335 -27.505 20.716 20.066 1.00 0.00 WAT +ATOM 49314 H1 TIP3 14335 -27.531 19.757 19.911 1.00 0.00 WAT +ATOM 49315 H2 TIP3 14335 -27.864 20.794 20.970 1.00 0.00 WAT +ATOM 49316 OH2 TIP3 14336 -42.588 23.218 24.018 1.00 0.00 WAT +ATOM 49317 H1 TIP3 14336 -42.285 23.365 23.108 1.00 0.00 WAT +ATOM 49318 H2 TIP3 14336 -41.769 22.868 24.437 1.00 0.00 WAT +ATOM 49319 OH2 TIP3 14337 -26.865 22.669 29.172 1.00 0.00 WAT +ATOM 49320 H1 TIP3 14337 -26.190 21.991 29.382 1.00 0.00 WAT +ATOM 49321 H2 TIP3 14337 -26.328 23.467 29.096 1.00 0.00 WAT +ATOM 49322 OH2 TIP3 14338 -25.291 20.779 30.357 1.00 0.00 WAT +ATOM 49323 H1 TIP3 14338 -26.101 20.228 30.267 1.00 0.00 WAT +ATOM 49324 H2 TIP3 14338 -24.599 20.093 30.389 1.00 0.00 WAT +ATOM 49325 OH2 TIP3 14339 -27.419 16.951 13.331 1.00 0.00 WAT +ATOM 49326 H1 TIP3 14339 -26.810 16.431 13.885 1.00 0.00 WAT +ATOM 49327 H2 TIP3 14339 -28.198 16.384 13.250 1.00 0.00 WAT +ATOM 49328 OH2 TIP3 14340 -27.597 18.208 18.255 1.00 0.00 WAT +ATOM 49329 H1 TIP3 14340 -27.354 17.258 18.301 1.00 0.00 WAT +ATOM 49330 H2 TIP3 14340 -26.795 18.569 17.838 1.00 0.00 WAT +ATOM 49331 OH2 TIP3 14341 -27.371 18.858 23.674 1.00 0.00 WAT +ATOM 49332 H1 TIP3 14341 -26.395 18.926 23.643 1.00 0.00 WAT +ATOM 49333 H2 TIP3 14341 -27.503 18.849 24.639 1.00 0.00 WAT +ATOM 49334 OH2 TIP3 14342 -27.215 19.508 26.477 1.00 0.00 WAT +ATOM 49335 H1 TIP3 14342 -28.055 19.906 26.772 1.00 0.00 WAT +ATOM 49336 H2 TIP3 14342 -26.669 20.295 26.294 1.00 0.00 WAT +ATOM 49337 OH2 TIP3 14343 -42.836 18.041 29.863 1.00 0.00 WAT +ATOM 49338 H1 TIP3 14343 -41.985 17.771 30.240 1.00 0.00 WAT +ATOM 49339 H2 TIP3 14343 -43.480 17.445 30.278 1.00 0.00 WAT +ATOM 49340 OH2 TIP3 14344 -24.602 13.642 31.775 1.00 0.00 WAT +ATOM 49341 H1 TIP3 14344 -24.239 12.972 31.170 1.00 0.00 WAT +ATOM 49342 H2 TIP3 14344 -24.616 14.443 31.218 1.00 0.00 WAT +ATOM 49343 OH2 TIP3 14345 -27.131 15.427 18.221 1.00 0.00 WAT +ATOM 49344 H1 TIP3 14345 -26.992 15.084 19.122 1.00 0.00 WAT +ATOM 49345 H2 TIP3 14345 -27.920 14.920 17.941 1.00 0.00 WAT +ATOM 49346 OH2 TIP3 14346 -41.638 16.793 23.327 1.00 0.00 WAT +ATOM 49347 H1 TIP3 14346 -41.196 15.940 23.181 1.00 0.00 WAT +ATOM 49348 H2 TIP3 14346 -40.953 17.450 23.139 1.00 0.00 WAT +ATOM 49349 OH2 TIP3 14347 -43.079 19.509 23.839 1.00 0.00 WAT +ATOM 49350 H1 TIP3 14347 -42.525 19.038 23.203 1.00 0.00 WAT +ATOM 49351 H2 TIP3 14347 -42.697 20.393 23.793 1.00 0.00 WAT +ATOM 49352 OH2 TIP3 14348 -25.259 15.702 30.041 1.00 0.00 WAT +ATOM 49353 H1 TIP3 14348 -26.127 16.132 30.163 1.00 0.00 WAT +ATOM 49354 H2 TIP3 14348 -25.432 15.180 29.236 1.00 0.00 WAT +ATOM 49355 OH2 TIP3 14349 -25.158 15.895 14.885 1.00 0.00 WAT +ATOM 49356 H1 TIP3 14349 -24.849 15.093 14.428 1.00 0.00 WAT +ATOM 49357 H2 TIP3 14349 -24.337 16.408 14.965 1.00 0.00 WAT +ATOM 49358 OH2 TIP3 14350 -43.180 15.444 17.688 1.00 0.00 WAT +ATOM 49359 H1 TIP3 14350 -43.999 15.799 17.311 1.00 0.00 WAT +ATOM 49360 H2 TIP3 14350 -42.546 16.085 17.291 1.00 0.00 WAT +ATOM 49361 OH2 TIP3 14351 -28.252 30.973 20.125 1.00 0.00 WAT +ATOM 49362 H1 TIP3 14351 -27.708 30.660 19.377 1.00 0.00 WAT +ATOM 49363 H2 TIP3 14351 -27.572 31.323 20.720 1.00 0.00 WAT +ATOM 49364 OH2 TIP3 14352 -42.898 14.389 25.970 1.00 0.00 WAT +ATOM 49365 H1 TIP3 14352 -43.580 14.300 26.678 1.00 0.00 WAT +ATOM 49366 H2 TIP3 14352 -43.344 14.870 25.260 1.00 0.00 WAT +ATOM 49367 OH2 TIP3 14353 -41.152 27.912 30.670 1.00 0.00 WAT +ATOM 49368 H1 TIP3 14353 -41.757 27.350 30.176 1.00 0.00 WAT +ATOM 49369 H2 TIP3 14353 -41.319 27.600 31.590 1.00 0.00 WAT +ATOM 49370 OH2 TIP3 14354 -38.002 28.585 26.585 1.00 0.00 WAT +ATOM 49371 H1 TIP3 14354 -38.369 29.411 26.223 1.00 0.00 WAT +ATOM 49372 H2 TIP3 14354 -37.057 28.708 26.378 1.00 0.00 WAT +ATOM 49373 OH2 TIP3 14355 -33.483 29.838 29.567 1.00 0.00 WAT +ATOM 49374 H1 TIP3 14355 -33.403 29.726 30.531 1.00 0.00 WAT +ATOM 49375 H2 TIP3 14355 -32.665 30.334 29.360 1.00 0.00 WAT +ATOM 49376 OH2 TIP3 14356 -31.201 31.265 28.757 1.00 0.00 WAT +ATOM 49377 H1 TIP3 14356 -30.474 30.633 28.673 1.00 0.00 WAT +ATOM 49378 H2 TIP3 14356 -30.951 31.706 29.593 1.00 0.00 WAT +ATOM 49379 OH2 TIP3 14357 -26.386 13.956 28.003 1.00 0.00 WAT +ATOM 49380 H1 TIP3 14357 -27.201 14.149 27.509 1.00 0.00 WAT +ATOM 49381 H2 TIP3 14357 -26.177 13.053 27.684 1.00 0.00 WAT +ATOM 49382 OH2 TIP3 14358 -40.687 31.643 26.826 1.00 0.00 WAT +ATOM 49383 H1 TIP3 14358 -41.366 32.153 26.346 1.00 0.00 WAT +ATOM 49384 H2 TIP3 14358 -40.993 31.737 27.736 1.00 0.00 WAT +ATOM 49385 OH2 TIP3 14359 -38.167 31.317 25.459 1.00 0.00 WAT +ATOM 49386 H1 TIP3 14359 -39.038 31.483 25.878 1.00 0.00 WAT +ATOM 49387 H2 TIP3 14359 -38.155 32.002 24.767 1.00 0.00 WAT +ATOM 49388 OH2 TIP3 14360 -33.347 31.309 25.011 1.00 0.00 WAT +ATOM 49389 H1 TIP3 14360 -33.800 31.773 24.283 1.00 0.00 WAT +ATOM 49390 H2 TIP3 14360 -33.276 32.031 25.670 1.00 0.00 WAT +ATOM 49391 OH2 TIP3 14361 -31.072 29.717 25.675 1.00 0.00 WAT +ATOM 49392 H1 TIP3 14361 -31.912 30.206 25.574 1.00 0.00 WAT +ATOM 49393 H2 TIP3 14361 -30.452 30.458 25.782 1.00 0.00 WAT +ATOM 49394 OH2 TIP3 14362 -28.641 31.691 26.095 1.00 0.00 WAT +ATOM 49395 H1 TIP3 14362 -28.685 32.660 25.961 1.00 0.00 WAT +ATOM 49396 H2 TIP3 14362 -28.249 31.421 25.248 1.00 0.00 WAT +ATOM 49397 OH2 TIP3 14363 -41.236 30.431 23.823 1.00 0.00 WAT +ATOM 49398 H1 TIP3 14363 -41.351 29.946 24.666 1.00 0.00 WAT +ATOM 49399 H2 TIP3 14363 -40.516 29.920 23.418 1.00 0.00 WAT +ATOM 49400 OH2 TIP3 14364 -39.089 29.122 22.277 1.00 0.00 WAT +ATOM 49401 H1 TIP3 14364 -39.294 28.210 22.577 1.00 0.00 WAT +ATOM 49402 H2 TIP3 14364 -38.216 29.275 22.676 1.00 0.00 WAT +ATOM 49403 OH2 TIP3 14365 -36.246 29.562 23.147 1.00 0.00 WAT +ATOM 49404 H1 TIP3 14365 -36.148 28.615 22.950 1.00 0.00 WAT +ATOM 49405 H2 TIP3 14365 -36.255 29.544 24.117 1.00 0.00 WAT +ATOM 49406 OH2 TIP3 14366 -32.984 15.458 22.493 1.00 0.00 WAT +ATOM 49407 H1 TIP3 14366 -33.669 14.774 22.619 1.00 0.00 WAT +ATOM 49408 H2 TIP3 14366 -32.385 15.017 21.869 1.00 0.00 WAT +ATOM 49409 OH2 TIP3 14367 -28.021 13.484 22.957 1.00 0.00 WAT +ATOM 49410 H1 TIP3 14367 -27.254 13.902 22.527 1.00 0.00 WAT +ATOM 49411 H2 TIP3 14367 -28.756 13.749 22.379 1.00 0.00 WAT +ATOM 49412 OH2 TIP3 14368 -25.953 14.574 20.805 1.00 0.00 WAT +ATOM 49413 H1 TIP3 14368 -25.234 14.131 20.313 1.00 0.00 WAT +ATOM 49414 H2 TIP3 14368 -25.601 15.483 20.890 1.00 0.00 WAT +ATOM 49415 OH2 TIP3 14369 -41.113 13.987 20.069 1.00 0.00 WAT +ATOM 49416 H1 TIP3 14369 -41.761 13.761 19.391 1.00 0.00 WAT +ATOM 49417 H2 TIP3 14369 -40.430 13.310 19.914 1.00 0.00 WAT +ATOM 49418 OH2 TIP3 14370 -41.800 13.635 15.844 1.00 0.00 WAT +ATOM 49419 H1 TIP3 14370 -41.296 14.299 15.332 1.00 0.00 WAT +ATOM 49420 H2 TIP3 14370 -42.346 14.210 16.408 1.00 0.00 WAT +ATOM 49421 OH2 TIP3 14371 -36.122 13.903 19.915 1.00 0.00 WAT +ATOM 49422 H1 TIP3 14371 -35.241 14.286 19.769 1.00 0.00 WAT +ATOM 49423 H2 TIP3 14371 -36.165 13.895 20.877 1.00 0.00 WAT +ATOM 49424 OH2 TIP3 14372 -30.554 14.031 21.326 1.00 0.00 WAT +ATOM 49425 H1 TIP3 14372 -30.291 13.871 20.409 1.00 0.00 WAT +ATOM 49426 H2 TIP3 14372 -30.934 13.169 21.575 1.00 0.00 WAT +ATOM 49427 OH2 TIP3 14373 -29.447 14.025 17.330 1.00 0.00 WAT +ATOM 49428 H1 TIP3 14373 -30.270 14.523 17.171 1.00 0.00 WAT +ATOM 49429 H2 TIP3 14373 -29.791 13.122 17.448 1.00 0.00 WAT +ATOM 49430 OH2 TIP3 14374 -41.847 29.657 16.852 1.00 0.00 WAT +ATOM 49431 H1 TIP3 14374 -42.506 29.446 16.181 1.00 0.00 WAT +ATOM 49432 H2 TIP3 14374 -41.849 30.623 16.839 1.00 0.00 WAT +ATOM 49433 OH2 TIP3 14375 -40.031 15.494 14.386 1.00 0.00 WAT +ATOM 49434 H1 TIP3 14375 -39.427 14.945 13.858 1.00 0.00 WAT +ATOM 49435 H2 TIP3 14375 -39.428 15.823 15.082 1.00 0.00 WAT +ATOM 49436 OH2 TIP3 14376 -34.987 15.671 16.962 1.00 0.00 WAT +ATOM 49437 H1 TIP3 14376 -34.675 15.065 17.650 1.00 0.00 WAT +ATOM 49438 H2 TIP3 14376 -34.752 16.526 17.363 1.00 0.00 WAT +ATOM 49439 OH2 TIP3 14377 -32.725 31.704 15.399 1.00 0.00 WAT +ATOM 49440 H1 TIP3 14377 -31.828 31.340 15.230 1.00 0.00 WAT +ATOM 49441 H2 TIP3 14377 -33.239 31.009 14.958 1.00 0.00 WAT +ATOM 49442 OH2 TIP3 14378 -26.555 30.442 17.807 1.00 0.00 WAT +ATOM 49443 H1 TIP3 14378 -26.677 29.576 17.365 1.00 0.00 WAT +ATOM 49444 H2 TIP3 14378 -26.285 30.986 17.054 1.00 0.00 WAT +ATOM 49445 OH2 TIP3 14379 -40.766 14.460 29.601 1.00 0.00 WAT +ATOM 49446 H1 TIP3 14379 -41.271 13.692 29.919 1.00 0.00 WAT +ATOM 49447 H2 TIP3 14379 -39.867 14.214 29.887 1.00 0.00 WAT +ATOM 49448 OH2 TIP3 14380 -38.431 13.775 31.266 1.00 0.00 WAT +ATOM 49449 H1 TIP3 14380 -37.620 13.391 30.877 1.00 0.00 WAT +ATOM 49450 H2 TIP3 14380 -38.772 13.006 31.760 1.00 0.00 WAT +ATOM 49451 OH2 TIP3 14381 -40.095 30.668 13.854 1.00 0.00 WAT +ATOM 49452 H1 TIP3 14381 -40.429 30.818 14.750 1.00 0.00 WAT +ATOM 49453 H2 TIP3 14381 -39.445 29.961 13.995 1.00 0.00 WAT +ATOM 49454 OH2 TIP3 14382 -30.301 12.879 31.467 1.00 0.00 WAT +ATOM 49455 H1 TIP3 14382 -30.274 12.463 32.351 1.00 0.00 WAT +ATOM 49456 H2 TIP3 14382 -29.361 12.838 31.210 1.00 0.00 WAT +ATOM 49457 OH2 TIP3 14383 -26.924 29.240 30.133 1.00 0.00 WAT +ATOM 49458 H1 TIP3 14383 -27.698 29.035 29.584 1.00 0.00 WAT +ATOM 49459 H2 TIP3 14383 -27.106 30.169 30.375 1.00 0.00 WAT +ATOM 49460 OH2 TIP3 14384 -13.784 22.296 23.282 1.00 0.00 WAT +ATOM 49461 H1 TIP3 14384 -13.892 21.795 24.104 1.00 0.00 WAT +ATOM 49462 H2 TIP3 14384 -14.197 21.704 22.637 1.00 0.00 WAT +ATOM 49463 OH2 TIP3 14385 -21.451 21.937 25.050 1.00 0.00 WAT +ATOM 49464 H1 TIP3 14385 -21.439 21.181 25.666 1.00 0.00 WAT +ATOM 49465 H2 TIP3 14385 -20.708 22.459 25.387 1.00 0.00 WAT +ATOM 49466 OH2 TIP3 14386 -10.048 25.097 21.713 1.00 0.00 WAT +ATOM 49467 H1 TIP3 14386 -10.582 24.416 22.138 1.00 0.00 WAT +ATOM 49468 H2 TIP3 14386 -9.948 25.747 22.416 1.00 0.00 WAT +ATOM 49469 OH2 TIP3 14387 -20.784 26.557 23.551 1.00 0.00 WAT +ATOM 49470 H1 TIP3 14387 -20.989 25.638 23.278 1.00 0.00 WAT +ATOM 49471 H2 TIP3 14387 -19.837 26.460 23.743 1.00 0.00 WAT +ATOM 49472 OH2 TIP3 14388 -23.779 19.958 18.930 1.00 0.00 WAT +ATOM 49473 H1 TIP3 14388 -24.165 20.844 18.992 1.00 0.00 WAT +ATOM 49474 H2 TIP3 14388 -24.484 19.465 18.492 1.00 0.00 WAT +ATOM 49475 OH2 TIP3 14389 -22.977 22.420 20.774 1.00 0.00 WAT +ATOM 49476 H1 TIP3 14389 -22.812 21.588 21.260 1.00 0.00 WAT +ATOM 49477 H2 TIP3 14389 -22.126 22.554 20.334 1.00 0.00 WAT +ATOM 49478 OH2 TIP3 14390 -13.083 30.481 22.299 1.00 0.00 WAT +ATOM 49479 H1 TIP3 14390 -12.588 29.739 21.899 1.00 0.00 WAT +ATOM 49480 H2 TIP3 14390 -13.435 30.059 23.092 1.00 0.00 WAT +ATOM 49481 OH2 TIP3 14391 -15.422 24.829 23.977 1.00 0.00 WAT +ATOM 49482 H1 TIP3 14391 -15.100 24.219 23.293 1.00 0.00 WAT +ATOM 49483 H2 TIP3 14391 -14.585 24.988 24.454 1.00 0.00 WAT +ATOM 49484 OH2 TIP3 14392 -6.650 16.483 24.773 1.00 0.00 WAT +ATOM 49485 H1 TIP3 14392 -6.631 17.363 25.171 1.00 0.00 WAT +ATOM 49486 H2 TIP3 14392 -6.088 16.647 23.987 1.00 0.00 WAT +ATOM 49487 OH2 TIP3 14393 -12.119 19.175 24.431 1.00 0.00 WAT +ATOM 49488 H1 TIP3 14393 -11.988 18.213 24.431 1.00 0.00 WAT +ATOM 49489 H2 TIP3 14393 -12.172 19.363 23.481 1.00 0.00 WAT +ATOM 49490 OH2 TIP3 14394 -19.140 17.189 21.524 1.00 0.00 WAT +ATOM 49491 H1 TIP3 14394 -18.990 18.042 21.070 1.00 0.00 WAT +ATOM 49492 H2 TIP3 14394 -19.485 16.664 20.776 1.00 0.00 WAT +ATOM 49493 OH2 TIP3 14395 -11.304 17.375 19.854 1.00 0.00 WAT +ATOM 49494 H1 TIP3 14395 -10.679 16.951 20.481 1.00 0.00 WAT +ATOM 49495 H2 TIP3 14395 -10.684 17.800 19.242 1.00 0.00 WAT +ATOM 49496 OH2 TIP3 14396 -22.458 19.921 22.034 1.00 0.00 WAT +ATOM 49497 H1 TIP3 14396 -21.812 19.459 22.593 1.00 0.00 WAT +ATOM 49498 H2 TIP3 14396 -22.358 19.442 21.191 1.00 0.00 WAT +ATOM 49499 OH2 TIP3 14397 -17.098 21.307 21.528 1.00 0.00 WAT +ATOM 49500 H1 TIP3 14397 -16.373 20.756 21.880 1.00 0.00 WAT +ATOM 49501 H2 TIP3 14397 -17.583 20.660 20.983 1.00 0.00 WAT +ATOM 49502 OH2 TIP3 14398 -20.332 15.987 25.685 1.00 0.00 WAT +ATOM 49503 H1 TIP3 14398 -20.742 16.481 24.959 1.00 0.00 WAT +ATOM 49504 H2 TIP3 14398 -20.996 16.127 26.393 1.00 0.00 WAT +ATOM 49505 OH2 TIP3 14399 -17.389 23.873 25.831 1.00 0.00 WAT +ATOM 49506 H1 TIP3 14399 -18.130 24.477 26.049 1.00 0.00 WAT +ATOM 49507 H2 TIP3 14399 -16.774 24.461 25.351 1.00 0.00 WAT +ATOM 49508 OH2 TIP3 14400 -9.458 16.595 21.897 1.00 0.00 WAT +ATOM 49509 H1 TIP3 14400 -9.858 16.022 22.563 1.00 0.00 WAT +ATOM 49510 H2 TIP3 14400 -8.947 17.218 22.441 1.00 0.00 WAT +ATOM 49511 OH2 TIP3 14401 -20.738 18.039 23.616 1.00 0.00 WAT +ATOM 49512 H1 TIP3 14401 -20.088 18.607 24.081 1.00 0.00 WAT +ATOM 49513 H2 TIP3 14401 -20.167 17.671 22.905 1.00 0.00 WAT +ATOM 49514 OH2 TIP3 14402 -19.422 25.739 26.529 1.00 0.00 WAT +ATOM 49515 H1 TIP3 14402 -19.451 26.660 26.213 1.00 0.00 WAT +ATOM 49516 H2 TIP3 14402 -20.284 25.685 26.982 1.00 0.00 WAT +ATOM 49517 OH2 TIP3 14403 -23.143 25.453 17.415 1.00 0.00 WAT +ATOM 49518 H1 TIP3 14403 -23.264 25.947 16.585 1.00 0.00 WAT +ATOM 49519 H2 TIP3 14403 -22.930 26.150 18.069 1.00 0.00 WAT +ATOM 49520 OH2 TIP3 14404 -9.648 26.917 24.261 1.00 0.00 WAT +ATOM 49521 H1 TIP3 14404 -10.618 27.012 24.219 1.00 0.00 WAT +ATOM 49522 H2 TIP3 14404 -9.370 27.738 23.820 1.00 0.00 WAT +ATOM 49523 OH2 TIP3 14405 -9.320 15.684 25.778 1.00 0.00 WAT +ATOM 49524 H1 TIP3 14405 -10.083 16.115 25.347 1.00 0.00 WAT +ATOM 49525 H2 TIP3 14405 -8.592 15.947 25.187 1.00 0.00 WAT +ATOM 49526 OH2 TIP3 14406 -16.163 13.465 22.824 1.00 0.00 WAT +ATOM 49527 H1 TIP3 14406 -16.440 12.538 22.726 1.00 0.00 WAT +ATOM 49528 H2 TIP3 14406 -16.999 13.891 23.111 1.00 0.00 WAT +ATOM 49529 OH2 TIP3 14407 -11.313 28.765 20.836 1.00 0.00 WAT +ATOM 49530 H1 TIP3 14407 -10.892 27.977 20.440 1.00 0.00 WAT +ATOM 49531 H2 TIP3 14407 -10.720 29.477 20.543 1.00 0.00 WAT +ATOM 49532 OH2 TIP3 14408 -9.912 26.595 19.224 1.00 0.00 WAT +ATOM 49533 H1 TIP3 14408 -10.541 26.090 18.655 1.00 0.00 WAT +ATOM 49534 H2 TIP3 14408 -9.883 25.987 19.984 1.00 0.00 WAT +ATOM 49535 OH2 TIP3 14409 -8.354 25.497 27.857 1.00 0.00 WAT +ATOM 49536 H1 TIP3 14409 -8.468 24.871 27.117 1.00 0.00 WAT +ATOM 49537 H2 TIP3 14409 -8.242 26.342 27.381 1.00 0.00 WAT +ATOM 49538 OH2 TIP3 14410 -13.993 20.224 14.873 1.00 0.00 WAT +ATOM 49539 H1 TIP3 14410 -13.331 20.833 15.227 1.00 0.00 WAT +ATOM 49540 H2 TIP3 14410 -13.690 20.064 13.978 1.00 0.00 WAT +ATOM 49541 OH2 TIP3 14411 -6.585 21.686 25.803 1.00 0.00 WAT +ATOM 49542 H1 TIP3 14411 -7.332 22.312 25.863 1.00 0.00 WAT +ATOM 49543 H2 TIP3 14411 -6.111 22.046 25.026 1.00 0.00 WAT +ATOM 49544 OH2 TIP3 14412 -10.650 20.829 27.447 1.00 0.00 WAT +ATOM 49545 H1 TIP3 14412 -10.661 21.619 28.008 1.00 0.00 WAT +ATOM 49546 H2 TIP3 14412 -11.269 21.124 26.757 1.00 0.00 WAT +ATOM 49547 OH2 TIP3 14413 -19.074 23.154 20.429 1.00 0.00 WAT +ATOM 49548 H1 TIP3 14413 -19.285 22.739 19.571 1.00 0.00 WAT +ATOM 49549 H2 TIP3 14413 -18.337 22.599 20.742 1.00 0.00 WAT +ATOM 49550 OH2 TIP3 14414 -17.656 26.571 23.165 1.00 0.00 WAT +ATOM 49551 H1 TIP3 14414 -17.719 26.246 22.254 1.00 0.00 WAT +ATOM 49552 H2 TIP3 14414 -16.840 26.131 23.471 1.00 0.00 WAT +ATOM 49553 OH2 TIP3 14415 -18.416 21.999 23.929 1.00 0.00 WAT +ATOM 49554 H1 TIP3 14415 -17.874 22.015 23.115 1.00 0.00 WAT +ATOM 49555 H2 TIP3 14415 -17.990 22.679 24.483 1.00 0.00 WAT +ATOM 49556 OH2 TIP3 14416 -12.493 27.545 24.497 1.00 0.00 WAT +ATOM 49557 H1 TIP3 14416 -12.427 28.181 25.227 1.00 0.00 WAT +ATOM 49558 H2 TIP3 14416 -12.689 26.703 24.943 1.00 0.00 WAT +ATOM 49559 OH2 TIP3 14417 -17.559 26.324 28.735 1.00 0.00 WAT +ATOM 49560 H1 TIP3 14417 -18.080 26.990 29.219 1.00 0.00 WAT +ATOM 49561 H2 TIP3 14417 -18.191 26.052 28.043 1.00 0.00 WAT +ATOM 49562 OH2 TIP3 14418 -11.536 21.632 16.215 1.00 0.00 WAT +ATOM 49563 H1 TIP3 14418 -11.436 22.255 16.960 1.00 0.00 WAT +ATOM 49564 H2 TIP3 14418 -11.225 22.226 15.498 1.00 0.00 WAT +ATOM 49565 OH2 TIP3 14419 -20.631 22.739 27.846 1.00 0.00 WAT +ATOM 49566 H1 TIP3 14419 -20.581 23.290 28.648 1.00 0.00 WAT +ATOM 49567 H2 TIP3 14419 -21.586 22.569 27.786 1.00 0.00 WAT +ATOM 49568 OH2 TIP3 14420 -14.426 28.456 19.862 1.00 0.00 WAT +ATOM 49569 H1 TIP3 14420 -13.592 28.614 20.313 1.00 0.00 WAT +ATOM 49570 H2 TIP3 14420 -14.596 29.257 19.352 1.00 0.00 WAT +ATOM 49571 OH2 TIP3 14421 -19.463 28.522 29.564 1.00 0.00 WAT +ATOM 49572 H1 TIP3 14421 -19.574 28.544 28.598 1.00 0.00 WAT +ATOM 49573 H2 TIP3 14421 -20.342 28.239 29.883 1.00 0.00 WAT +ATOM 49574 OH2 TIP3 14422 -7.889 13.460 15.852 1.00 0.00 WAT +ATOM 49575 H1 TIP3 14422 -8.848 13.543 15.977 1.00 0.00 WAT +ATOM 49576 H2 TIP3 14422 -7.610 14.370 15.674 1.00 0.00 WAT +ATOM 49577 OH2 TIP3 14423 -20.013 21.931 17.913 1.00 0.00 WAT +ATOM 49578 H1 TIP3 14423 -20.194 22.688 17.330 1.00 0.00 WAT +ATOM 49579 H2 TIP3 14423 -20.704 21.309 17.653 1.00 0.00 WAT +ATOM 49580 OH2 TIP3 14424 -6.832 27.765 14.068 1.00 0.00 WAT +ATOM 49581 H1 TIP3 14424 -6.681 28.682 14.372 1.00 0.00 WAT +ATOM 49582 H2 TIP3 14424 -5.985 27.343 14.310 1.00 0.00 WAT +ATOM 49583 OH2 TIP3 14425 -24.070 24.594 26.676 1.00 0.00 WAT +ATOM 49584 H1 TIP3 14425 -24.394 24.533 25.761 1.00 0.00 WAT +ATOM 49585 H2 TIP3 14425 -23.852 23.662 26.874 1.00 0.00 WAT +ATOM 49586 OH2 TIP3 14426 -23.976 27.506 23.643 1.00 0.00 WAT +ATOM 49587 H1 TIP3 14426 -23.046 27.227 23.621 1.00 0.00 WAT +ATOM 49588 H2 TIP3 14426 -23.953 28.150 24.368 1.00 0.00 WAT +ATOM 49589 OH2 TIP3 14427 -5.569 28.145 29.380 1.00 0.00 WAT +ATOM 49590 H1 TIP3 14427 -5.669 27.199 29.175 1.00 0.00 WAT +ATOM 49591 H2 TIP3 14427 -6.482 28.373 29.661 1.00 0.00 WAT +ATOM 49592 OH2 TIP3 14428 -14.918 27.367 28.178 1.00 0.00 WAT +ATOM 49593 H1 TIP3 14428 -14.857 28.200 28.686 1.00 0.00 WAT +ATOM 49594 H2 TIP3 14428 -15.824 27.069 28.394 1.00 0.00 WAT +ATOM 49595 OH2 TIP3 14429 -14.663 31.171 18.138 1.00 0.00 WAT +ATOM 49596 H1 TIP3 14429 -14.628 31.229 17.166 1.00 0.00 WAT +ATOM 49597 H2 TIP3 14429 -14.566 32.090 18.423 1.00 0.00 WAT +ATOM 49598 OH2 TIP3 14430 -20.858 30.350 19.779 1.00 0.00 WAT +ATOM 49599 H1 TIP3 14430 -20.658 29.885 20.617 1.00 0.00 WAT +ATOM 49600 H2 TIP3 14430 -21.657 29.889 19.491 1.00 0.00 WAT +ATOM 49601 OH2 TIP3 14431 -11.304 30.602 15.316 1.00 0.00 WAT +ATOM 49602 H1 TIP3 14431 -10.796 29.908 14.856 1.00 0.00 WAT +ATOM 49603 H2 TIP3 14431 -11.370 30.225 16.214 1.00 0.00 WAT +ATOM 49604 OH2 TIP3 14432 -11.940 30.062 18.194 1.00 0.00 WAT +ATOM 49605 H1 TIP3 14432 -12.908 30.142 18.252 1.00 0.00 WAT +ATOM 49606 H2 TIP3 14432 -11.810 29.186 18.592 1.00 0.00 WAT +ATOM 49607 OH2 TIP3 14433 -8.691 19.354 29.636 1.00 0.00 WAT +ATOM 49608 H1 TIP3 14433 -9.233 20.038 29.211 1.00 0.00 WAT +ATOM 49609 H2 TIP3 14433 -9.238 18.581 29.418 1.00 0.00 WAT +ATOM 49610 OH2 TIP3 14434 -21.830 26.167 27.935 1.00 0.00 WAT +ATOM 49611 H1 TIP3 14434 -21.533 25.693 28.740 1.00 0.00 WAT +ATOM 49612 H2 TIP3 14434 -22.538 25.597 27.594 1.00 0.00 WAT +ATOM 49613 OH2 TIP3 14435 -18.627 14.584 23.706 1.00 0.00 WAT +ATOM 49614 H1 TIP3 14435 -19.434 14.555 23.160 1.00 0.00 WAT +ATOM 49615 H2 TIP3 14435 -18.837 15.348 24.267 1.00 0.00 WAT +ATOM 49616 OH2 TIP3 14436 -14.231 14.221 27.284 1.00 0.00 WAT +ATOM 49617 H1 TIP3 14436 -13.722 13.719 27.948 1.00 0.00 WAT +ATOM 49618 H2 TIP3 14436 -15.147 13.920 27.431 1.00 0.00 WAT +ATOM 49619 OH2 TIP3 14437 -10.603 17.885 28.199 1.00 0.00 WAT +ATOM 49620 H1 TIP3 14437 -11.397 17.595 28.680 1.00 0.00 WAT +ATOM 49621 H2 TIP3 14437 -10.934 18.639 27.683 1.00 0.00 WAT +ATOM 49622 OH2 TIP3 14438 -10.213 22.931 14.060 1.00 0.00 WAT +ATOM 49623 H1 TIP3 14438 -10.289 22.537 13.178 1.00 0.00 WAT +ATOM 49624 H2 TIP3 14438 -9.269 23.125 14.135 1.00 0.00 WAT +ATOM 49625 OH2 TIP3 14439 -14.422 16.688 14.411 1.00 0.00 WAT +ATOM 49626 H1 TIP3 14439 -14.910 16.695 15.242 1.00 0.00 WAT +ATOM 49627 H2 TIP3 14439 -14.835 15.945 13.947 1.00 0.00 WAT +ATOM 49628 OH2 TIP3 14440 -18.764 19.408 25.075 1.00 0.00 WAT +ATOM 49629 H1 TIP3 14440 -19.316 19.539 25.862 1.00 0.00 WAT +ATOM 49630 H2 TIP3 14440 -18.674 20.322 24.728 1.00 0.00 WAT +ATOM 49631 OH2 TIP3 14441 -18.822 19.490 19.972 1.00 0.00 WAT +ATOM 49632 H1 TIP3 14441 -19.773 19.382 19.793 1.00 0.00 WAT +ATOM 49633 H2 TIP3 14441 -18.453 19.310 19.084 1.00 0.00 WAT +ATOM 49634 OH2 TIP3 14442 -13.314 20.316 18.621 1.00 0.00 WAT +ATOM 49635 H1 TIP3 14442 -13.616 21.189 18.324 1.00 0.00 WAT +ATOM 49636 H2 TIP3 14442 -12.640 20.122 17.951 1.00 0.00 WAT +ATOM 49637 OH2 TIP3 14443 -14.023 20.264 30.107 1.00 0.00 WAT +ATOM 49638 H1 TIP3 14443 -14.530 19.506 30.461 1.00 0.00 WAT +ATOM 49639 H2 TIP3 14443 -13.143 20.123 30.503 1.00 0.00 WAT +ATOM 49640 OH2 TIP3 14444 -12.394 19.487 21.398 1.00 0.00 WAT +ATOM 49641 H1 TIP3 14444 -12.659 20.057 20.650 1.00 0.00 WAT +ATOM 49642 H2 TIP3 14444 -12.150 18.675 20.905 1.00 0.00 WAT +ATOM 49643 OH2 TIP3 14445 -21.448 19.595 26.939 1.00 0.00 WAT +ATOM 49644 H1 TIP3 14445 -21.122 19.878 27.802 1.00 0.00 WAT +ATOM 49645 H2 TIP3 14445 -21.761 18.694 27.135 1.00 0.00 WAT +ATOM 49646 OH2 TIP3 14446 -17.870 17.237 13.424 1.00 0.00 WAT +ATOM 49647 H1 TIP3 14446 -18.185 16.836 14.256 1.00 0.00 WAT +ATOM 49648 H2 TIP3 14446 -18.688 17.380 12.939 1.00 0.00 WAT +ATOM 49649 OH2 TIP3 14447 -24.583 17.047 20.577 1.00 0.00 WAT +ATOM 49650 H1 TIP3 14447 -23.956 17.018 21.323 1.00 0.00 WAT +ATOM 49651 H2 TIP3 14447 -24.078 16.664 19.841 1.00 0.00 WAT +ATOM 49652 OH2 TIP3 14448 -22.977 17.486 16.266 1.00 0.00 WAT +ATOM 49653 H1 TIP3 14448 -22.423 17.962 15.615 1.00 0.00 WAT +ATOM 49654 H2 TIP3 14448 -23.672 18.143 16.443 1.00 0.00 WAT +ATOM 49655 OH2 TIP3 14449 -13.248 21.136 25.998 1.00 0.00 WAT +ATOM 49656 H1 TIP3 14449 -12.817 20.427 25.471 1.00 0.00 WAT +ATOM 49657 H2 TIP3 14449 -13.571 20.644 26.764 1.00 0.00 WAT +ATOM 49658 OH2 TIP3 14450 -16.047 17.057 20.967 1.00 0.00 WAT +ATOM 49659 H1 TIP3 14450 -16.994 17.014 21.181 1.00 0.00 WAT +ATOM 49660 H2 TIP3 14450 -15.639 16.888 21.829 1.00 0.00 WAT +ATOM 49661 OH2 TIP3 14451 -21.490 18.297 19.678 1.00 0.00 WAT +ATOM 49662 H1 TIP3 14451 -22.296 18.563 19.202 1.00 0.00 WAT +ATOM 49663 H2 TIP3 14451 -21.189 17.508 19.186 1.00 0.00 WAT +ATOM 49664 OH2 TIP3 14452 -17.847 18.708 17.379 1.00 0.00 WAT +ATOM 49665 H1 TIP3 14452 -16.874 18.730 17.394 1.00 0.00 WAT +ATOM 49666 H2 TIP3 14452 -18.081 19.264 16.617 1.00 0.00 WAT +ATOM 49667 OH2 TIP3 14453 -11.634 16.194 24.037 1.00 0.00 WAT +ATOM 49668 H1 TIP3 14453 -12.275 16.231 24.778 1.00 0.00 WAT +ATOM 49669 H2 TIP3 14453 -12.212 15.870 23.322 1.00 0.00 WAT +ATOM 49670 OH2 TIP3 14454 -19.107 19.913 14.926 1.00 0.00 WAT +ATOM 49671 H1 TIP3 14454 -19.818 19.624 14.331 1.00 0.00 WAT +ATOM 49672 H2 TIP3 14454 -18.355 19.836 14.332 1.00 0.00 WAT +ATOM 49673 OH2 TIP3 14455 -8.679 32.054 30.671 1.00 0.00 WAT +ATOM 49674 H1 TIP3 14455 -8.383 32.429 29.823 1.00 0.00 WAT +ATOM 49675 H2 TIP3 14455 -7.953 32.311 31.267 1.00 0.00 WAT +ATOM 49676 OH2 TIP3 14456 -20.742 24.645 30.100 1.00 0.00 WAT +ATOM 49677 H1 TIP3 14456 -20.069 24.716 30.810 1.00 0.00 WAT +ATOM 49678 H2 TIP3 14456 -21.547 24.578 30.650 1.00 0.00 WAT +ATOM 49679 OH2 TIP3 14457 -15.037 19.611 22.819 1.00 0.00 WAT +ATOM 49680 H1 TIP3 14457 -14.295 19.231 22.325 1.00 0.00 WAT +ATOM 49681 H2 TIP3 14457 -15.140 18.982 23.558 1.00 0.00 WAT +ATOM 49682 OH2 TIP3 14458 -19.749 16.021 18.951 1.00 0.00 WAT +ATOM 49683 H1 TIP3 14458 -20.261 15.212 19.118 1.00 0.00 WAT +ATOM 49684 H2 TIP3 14458 -18.918 15.660 18.609 1.00 0.00 WAT +ATOM 49685 OH2 TIP3 14459 -16.039 18.042 25.109 1.00 0.00 WAT +ATOM 49686 H1 TIP3 14459 -16.796 18.646 25.043 1.00 0.00 WAT +ATOM 49687 H2 TIP3 14459 -15.579 18.358 25.914 1.00 0.00 WAT +ATOM 49688 OH2 TIP3 14460 -15.874 24.543 16.697 1.00 0.00 WAT +ATOM 49689 H1 TIP3 14460 -16.481 23.799 16.591 1.00 0.00 WAT +ATOM 49690 H2 TIP3 14460 -15.537 24.447 17.604 1.00 0.00 WAT +ATOM 49691 OH2 TIP3 14461 -8.700 23.642 25.721 1.00 0.00 WAT +ATOM 49692 H1 TIP3 14461 -8.203 24.178 25.065 1.00 0.00 WAT +ATOM 49693 H2 TIP3 14461 -9.548 23.508 25.250 1.00 0.00 WAT +ATOM 49694 OH2 TIP3 14462 -11.618 17.182 14.372 1.00 0.00 WAT +ATOM 49695 H1 TIP3 14462 -12.590 17.097 14.292 1.00 0.00 WAT +ATOM 49696 H2 TIP3 14462 -11.505 17.882 15.031 1.00 0.00 WAT +ATOM 49697 OH2 TIP3 14463 -14.267 24.483 28.294 1.00 0.00 WAT +ATOM 49698 H1 TIP3 14463 -14.587 24.166 29.149 1.00 0.00 WAT +ATOM 49699 H2 TIP3 14463 -14.585 25.399 28.276 1.00 0.00 WAT +ATOM 49700 OH2 TIP3 14464 -11.147 18.893 16.759 1.00 0.00 WAT +ATOM 49701 H1 TIP3 14464 -10.270 18.879 17.183 1.00 0.00 WAT +ATOM 49702 H2 TIP3 14464 -11.198 19.816 16.434 1.00 0.00 WAT +ATOM 49703 OH2 TIP3 14465 -20.794 23.857 22.773 1.00 0.00 WAT +ATOM 49704 H1 TIP3 14465 -20.229 23.759 21.984 1.00 0.00 WAT +ATOM 49705 H2 TIP3 14465 -20.663 23.002 23.212 1.00 0.00 WAT +ATOM 49706 OH2 TIP3 14466 -23.535 22.153 28.048 1.00 0.00 WAT +ATOM 49707 H1 TIP3 14466 -23.365 21.727 28.913 1.00 0.00 WAT +ATOM 49708 H2 TIP3 14466 -24.128 21.518 27.616 1.00 0.00 WAT +ATOM 49709 OH2 TIP3 14467 -16.544 21.654 30.030 1.00 0.00 WAT +ATOM 49710 H1 TIP3 14467 -16.897 21.396 29.161 1.00 0.00 WAT +ATOM 49711 H2 TIP3 14467 -15.616 21.370 29.940 1.00 0.00 WAT +ATOM 49712 OH2 TIP3 14468 -12.005 27.089 27.752 1.00 0.00 WAT +ATOM 49713 H1 TIP3 14468 -12.973 27.147 27.677 1.00 0.00 WAT +ATOM 49714 H2 TIP3 14468 -11.862 27.324 28.681 1.00 0.00 WAT +ATOM 49715 OH2 TIP3 14469 -6.488 19.129 16.532 1.00 0.00 WAT +ATOM 49716 H1 TIP3 14469 -7.024 18.931 15.740 1.00 0.00 WAT +ATOM 49717 H2 TIP3 14469 -6.392 20.094 16.411 1.00 0.00 WAT +ATOM 49718 OH2 TIP3 14470 -6.039 25.144 29.333 1.00 0.00 WAT +ATOM 49719 H1 TIP3 14470 -6.975 25.350 29.125 1.00 0.00 WAT +ATOM 49720 H2 TIP3 14470 -5.689 24.975 28.435 1.00 0.00 WAT +ATOM 49721 OH2 TIP3 14471 -8.240 27.754 16.647 1.00 0.00 WAT +ATOM 49722 H1 TIP3 14471 -8.584 27.025 17.191 1.00 0.00 WAT +ATOM 49723 H2 TIP3 14471 -7.762 27.282 15.953 1.00 0.00 WAT +ATOM 49724 OH2 TIP3 14472 -11.044 23.032 24.060 1.00 0.00 WAT +ATOM 49725 H1 TIP3 14472 -11.963 22.896 23.758 1.00 0.00 WAT +ATOM 49726 H2 TIP3 14472 -10.583 22.349 23.531 1.00 0.00 WAT +ATOM 49727 OH2 TIP3 14473 -18.473 27.153 20.124 1.00 0.00 WAT +ATOM 49728 H1 TIP3 14473 -17.935 27.936 19.922 1.00 0.00 WAT +ATOM 49729 H2 TIP3 14473 -19.324 27.392 19.747 1.00 0.00 WAT +ATOM 49730 OH2 TIP3 14474 -22.390 21.928 14.688 1.00 0.00 WAT +ATOM 49731 H1 TIP3 14474 -21.810 22.621 15.054 1.00 0.00 WAT +ATOM 49732 H2 TIP3 14474 -23.268 22.263 14.943 1.00 0.00 WAT +ATOM 49733 OH2 TIP3 14475 -16.593 24.772 19.732 1.00 0.00 WAT +ATOM 49734 H1 TIP3 14475 -16.765 25.723 19.726 1.00 0.00 WAT +ATOM 49735 H2 TIP3 14475 -17.434 24.406 20.024 1.00 0.00 WAT +ATOM 49736 OH2 TIP3 14476 -16.414 29.107 26.032 1.00 0.00 WAT +ATOM 49737 H1 TIP3 14476 -15.848 29.836 25.723 1.00 0.00 WAT +ATOM 49738 H2 TIP3 14476 -15.786 28.594 26.564 1.00 0.00 WAT +ATOM 49739 OH2 TIP3 14477 -17.981 30.049 19.258 1.00 0.00 WAT +ATOM 49740 H1 TIP3 14477 -18.930 30.225 19.324 1.00 0.00 WAT +ATOM 49741 H2 TIP3 14477 -17.598 30.915 19.486 1.00 0.00 WAT +ATOM 49742 OH2 TIP3 14478 -12.979 24.848 25.591 1.00 0.00 WAT +ATOM 49743 H1 TIP3 14478 -13.275 24.548 26.468 1.00 0.00 WAT +ATOM 49744 H2 TIP3 14478 -12.264 24.220 25.391 1.00 0.00 WAT +ATOM 49745 OH2 TIP3 14479 -10.694 25.997 14.899 1.00 0.00 WAT +ATOM 49746 H1 TIP3 14479 -10.390 25.607 15.736 1.00 0.00 WAT +ATOM 49747 H2 TIP3 14479 -11.636 25.887 15.087 1.00 0.00 WAT +ATOM 49748 OH2 TIP3 14480 -10.067 29.429 27.996 1.00 0.00 WAT +ATOM 49749 H1 TIP3 14480 -10.816 28.960 27.578 1.00 0.00 WAT +ATOM 49750 H2 TIP3 14480 -9.965 30.206 27.418 1.00 0.00 WAT +ATOM 49751 OH2 TIP3 14481 -6.091 30.418 15.035 1.00 0.00 WAT +ATOM 49752 H1 TIP3 14481 -5.392 31.057 14.818 1.00 0.00 WAT +ATOM 49753 H2 TIP3 14481 -6.857 31.020 15.047 1.00 0.00 WAT +ATOM 49754 OH2 TIP3 14482 -22.202 16.778 27.648 1.00 0.00 WAT +ATOM 49755 H1 TIP3 14482 -23.115 17.043 27.424 1.00 0.00 WAT +ATOM 49756 H2 TIP3 14482 -22.349 15.920 28.084 1.00 0.00 WAT +ATOM 49757 OH2 TIP3 14483 -22.470 28.539 26.066 1.00 0.00 WAT +ATOM 49758 H1 TIP3 14483 -22.136 27.642 26.214 1.00 0.00 WAT +ATOM 49759 H2 TIP3 14483 -22.224 28.953 26.903 1.00 0.00 WAT +ATOM 49760 OH2 TIP3 14484 -16.501 27.100 13.024 1.00 0.00 WAT +ATOM 49761 H1 TIP3 14484 -16.125 26.361 12.531 1.00 0.00 WAT +ATOM 49762 H2 TIP3 14484 -16.942 26.662 13.771 1.00 0.00 WAT +ATOM 49763 OH2 TIP3 14485 -17.729 26.578 15.933 1.00 0.00 WAT +ATOM 49764 H1 TIP3 14485 -17.081 26.052 16.446 1.00 0.00 WAT +ATOM 49765 H2 TIP3 14485 -17.501 27.492 16.188 1.00 0.00 WAT +ATOM 49766 OH2 TIP3 14486 -20.908 24.152 16.150 1.00 0.00 WAT +ATOM 49767 H1 TIP3 14486 -21.607 24.549 16.701 1.00 0.00 WAT +ATOM 49768 H2 TIP3 14486 -20.391 24.939 15.901 1.00 0.00 WAT +ATOM 49769 OH2 TIP3 14487 -13.080 16.693 26.331 1.00 0.00 WAT +ATOM 49770 H1 TIP3 14487 -12.561 16.783 27.135 1.00 0.00 WAT +ATOM 49771 H2 TIP3 14487 -13.716 16.000 26.587 1.00 0.00 WAT +ATOM 49772 OH2 TIP3 14488 -12.591 16.093 17.321 1.00 0.00 WAT +ATOM 49773 H1 TIP3 14488 -12.453 16.693 16.570 1.00 0.00 WAT +ATOM 49774 H2 TIP3 14488 -12.183 16.604 18.036 1.00 0.00 WAT +ATOM 49775 OH2 TIP3 14489 -14.714 28.439 16.479 1.00 0.00 WAT +ATOM 49776 H1 TIP3 14489 -15.609 28.793 16.509 1.00 0.00 WAT +ATOM 49777 H2 TIP3 14489 -14.383 28.702 15.615 1.00 0.00 WAT +ATOM 49778 OH2 TIP3 14490 -15.109 18.071 18.421 1.00 0.00 WAT +ATOM 49779 H1 TIP3 14490 -14.419 18.759 18.516 1.00 0.00 WAT +ATOM 49780 H2 TIP3 14490 -15.389 17.931 19.344 1.00 0.00 WAT +ATOM 49781 OH2 TIP3 14491 -14.841 18.955 27.569 1.00 0.00 WAT +ATOM 49782 H1 TIP3 14491 -14.797 19.497 28.374 1.00 0.00 WAT +ATOM 49783 H2 TIP3 14491 -14.256 18.220 27.792 1.00 0.00 WAT +ATOM 49784 OH2 TIP3 14492 -14.555 14.939 19.353 1.00 0.00 WAT +ATOM 49785 H1 TIP3 14492 -14.790 15.691 19.920 1.00 0.00 WAT +ATOM 49786 H2 TIP3 14492 -13.858 15.321 18.787 1.00 0.00 WAT +ATOM 49787 OH2 TIP3 14493 -17.617 29.367 16.374 1.00 0.00 WAT +ATOM 49788 H1 TIP3 14493 -17.638 30.204 15.867 1.00 0.00 WAT +ATOM 49789 H2 TIP3 14493 -17.684 29.682 17.293 1.00 0.00 WAT +ATOM 49790 OH2 TIP3 14494 -18.810 16.139 15.808 1.00 0.00 WAT +ATOM 49791 H1 TIP3 14494 -18.868 16.874 16.440 1.00 0.00 WAT +ATOM 49792 H2 TIP3 14494 -18.009 15.683 16.138 1.00 0.00 WAT +ATOM 49793 OH2 TIP3 14495 -10.043 20.822 22.529 1.00 0.00 WAT +ATOM 49794 H1 TIP3 14495 -10.812 20.387 22.125 1.00 0.00 WAT +ATOM 49795 H2 TIP3 14495 -9.557 20.069 22.923 1.00 0.00 WAT +ATOM 49796 OH2 TIP3 14496 -20.421 26.946 14.921 1.00 0.00 WAT +ATOM 49797 H1 TIP3 14496 -19.700 27.442 15.347 1.00 0.00 WAT +ATOM 49798 H2 TIP3 14496 -19.893 26.420 14.299 1.00 0.00 WAT +ATOM 49799 OH2 TIP3 14497 -22.255 19.161 14.076 1.00 0.00 WAT +ATOM 49800 H1 TIP3 14497 -22.170 20.107 14.302 1.00 0.00 WAT +ATOM 49801 H2 TIP3 14497 -23.115 19.131 13.640 1.00 0.00 WAT +ATOM 49802 OH2 TIP3 14498 -9.025 29.724 23.931 1.00 0.00 WAT +ATOM 49803 H1 TIP3 14498 -9.205 30.503 23.373 1.00 0.00 WAT +ATOM 49804 H2 TIP3 14498 -8.080 29.848 24.112 1.00 0.00 WAT +ATOM 49805 OH2 TIP3 14499 -21.416 14.195 22.847 1.00 0.00 WAT +ATOM 49806 H1 TIP3 14499 -21.549 14.148 21.875 1.00 0.00 WAT +ATOM 49807 H2 TIP3 14499 -21.764 13.335 23.144 1.00 0.00 WAT +ATOM 49808 OH2 TIP3 14500 -22.535 27.674 19.154 1.00 0.00 WAT +ATOM 49809 H1 TIP3 14500 -23.310 28.222 19.325 1.00 0.00 WAT +ATOM 49810 H2 TIP3 14500 -22.102 28.166 18.442 1.00 0.00 WAT +ATOM 49811 OH2 TIP3 14501 -23.115 30.587 30.277 1.00 0.00 WAT +ATOM 49812 H1 TIP3 14501 -22.529 30.308 31.007 1.00 0.00 WAT +ATOM 49813 H2 TIP3 14501 -23.496 29.729 30.002 1.00 0.00 WAT +ATOM 49814 OH2 TIP3 14502 -18.390 29.658 32.080 1.00 0.00 WAT +ATOM 49815 H1 TIP3 14502 -17.722 28.982 32.272 1.00 0.00 WAT +ATOM 49816 H2 TIP3 14502 -18.650 29.407 31.178 1.00 0.00 WAT +ATOM 49817 OH2 TIP3 14503 -14.325 28.832 13.550 1.00 0.00 WAT +ATOM 49818 H1 TIP3 14503 -15.079 28.217 13.433 1.00 0.00 WAT +ATOM 49819 H2 TIP3 14503 -13.614 28.371 13.075 1.00 0.00 WAT +ATOM 49820 OH2 TIP3 14504 -11.965 27.960 30.683 1.00 0.00 WAT +ATOM 49821 H1 TIP3 14504 -12.340 27.124 31.015 1.00 0.00 WAT +ATOM 49822 H2 TIP3 14504 -11.244 28.130 31.315 1.00 0.00 WAT +ATOM 49823 OH2 TIP3 14505 -9.838 28.674 13.629 1.00 0.00 WAT +ATOM 49824 H1 TIP3 14505 -9.648 27.946 14.245 1.00 0.00 WAT +ATOM 49825 H2 TIP3 14505 -8.992 28.771 13.160 1.00 0.00 WAT +ATOM 49826 OH2 TIP3 14506 -23.144 24.246 31.387 1.00 0.00 WAT +ATOM 49827 H1 TIP3 14506 -23.060 23.316 31.114 1.00 0.00 WAT +ATOM 49828 H2 TIP3 14506 -23.927 24.518 30.872 1.00 0.00 WAT +ATOM 49829 OH2 TIP3 14507 -18.862 24.635 13.374 1.00 0.00 WAT +ATOM 49830 H1 TIP3 14507 -18.641 24.041 14.116 1.00 0.00 WAT +ATOM 49831 H2 TIP3 14507 -18.206 24.397 12.712 1.00 0.00 WAT +ATOM 49832 OH2 TIP3 14508 -16.525 24.412 30.743 1.00 0.00 WAT +ATOM 49833 H1 TIP3 14508 -16.833 24.738 29.881 1.00 0.00 WAT +ATOM 49834 H2 TIP3 14508 -16.456 23.445 30.594 1.00 0.00 WAT +ATOM 49835 OH2 TIP3 14509 -13.857 25.562 13.198 1.00 0.00 WAT +ATOM 49836 H1 TIP3 14509 -13.904 25.797 14.138 1.00 0.00 WAT +ATOM 49837 H2 TIP3 14509 -13.675 24.616 13.249 1.00 0.00 WAT +ATOM 49838 OH2 TIP3 14510 -11.152 24.041 28.165 1.00 0.00 WAT +ATOM 49839 H1 TIP3 14510 -10.392 24.584 27.906 1.00 0.00 WAT +ATOM 49840 H2 TIP3 14510 -11.872 24.691 28.112 1.00 0.00 WAT +ATOM 49841 OH2 TIP3 14511 -22.282 21.414 30.563 1.00 0.00 WAT +ATOM 49842 H1 TIP3 14511 -21.606 20.716 30.571 1.00 0.00 WAT +ATOM 49843 H2 TIP3 14511 -22.364 21.567 31.519 1.00 0.00 WAT +ATOM 49844 OH2 TIP3 14512 -17.834 22.678 15.539 1.00 0.00 WAT +ATOM 49845 H1 TIP3 14512 -18.367 22.236 16.216 1.00 0.00 WAT +ATOM 49846 H2 TIP3 14512 -17.414 21.932 15.102 1.00 0.00 WAT +ATOM 49847 OH2 TIP3 14513 -18.652 20.474 27.978 1.00 0.00 WAT +ATOM 49848 H1 TIP3 14513 -19.169 21.264 28.220 1.00 0.00 WAT +ATOM 49849 H2 TIP3 14513 -17.988 20.851 27.374 1.00 0.00 WAT +ATOM 49850 OH2 TIP3 14514 -13.334 23.198 31.577 1.00 0.00 WAT +ATOM 49851 H1 TIP3 14514 -12.440 23.006 31.263 1.00 0.00 WAT +ATOM 49852 H2 TIP3 14514 -13.597 22.348 31.955 1.00 0.00 WAT +ATOM 49853 OH2 TIP3 14515 -7.357 23.164 13.188 1.00 0.00 WAT +ATOM 49854 H1 TIP3 14515 -7.866 22.957 12.399 1.00 0.00 WAT +ATOM 49855 H2 TIP3 14515 -7.421 24.139 13.188 1.00 0.00 WAT +ATOM 49856 OH2 TIP3 14516 -18.016 17.797 29.142 1.00 0.00 WAT +ATOM 49857 H1 TIP3 14516 -17.978 17.127 28.436 1.00 0.00 WAT +ATOM 49858 H2 TIP3 14516 -18.255 18.596 28.639 1.00 0.00 WAT +ATOM 49859 OH2 TIP3 14517 -17.707 16.215 26.594 1.00 0.00 WAT +ATOM 49860 H1 TIP3 14517 -17.195 16.775 25.977 1.00 0.00 WAT +ATOM 49861 H2 TIP3 14517 -18.621 16.276 26.245 1.00 0.00 WAT +ATOM 49862 OH2 TIP3 14518 -16.150 21.691 27.003 1.00 0.00 WAT +ATOM 49863 H1 TIP3 14518 -15.312 21.624 26.521 1.00 0.00 WAT +ATOM 49864 H2 TIP3 14518 -16.472 22.564 26.698 1.00 0.00 WAT +ATOM 49865 OH2 TIP3 14519 -11.577 19.616 31.743 1.00 0.00 WAT +ATOM 49866 H1 TIP3 14519 -11.391 18.695 31.982 1.00 0.00 WAT +ATOM 49867 H2 TIP3 14519 -10.695 20.016 31.793 1.00 0.00 WAT +ATOM 49868 OH2 TIP3 14520 -10.570 22.346 30.204 1.00 0.00 WAT +ATOM 49869 H1 TIP3 14520 -10.955 22.974 29.553 1.00 0.00 WAT +ATOM 49870 H2 TIP3 14520 -9.649 22.310 29.878 1.00 0.00 WAT +ATOM 49871 OH2 TIP3 14521 -19.786 19.646 30.924 1.00 0.00 WAT +ATOM 49872 H1 TIP3 14521 -20.382 18.879 30.990 1.00 0.00 WAT +ATOM 49873 H2 TIP3 14521 -19.016 19.264 30.480 1.00 0.00 WAT +ATOM 49874 OH2 TIP3 14522 -16.985 13.554 26.940 1.00 0.00 WAT +ATOM 49875 H1 TIP3 14522 -17.145 14.513 26.789 1.00 0.00 WAT +ATOM 49876 H2 TIP3 14522 -17.714 13.172 26.415 1.00 0.00 WAT +ATOM 49877 OH2 TIP3 14523 -15.693 18.123 30.730 1.00 0.00 WAT +ATOM 49878 H1 TIP3 14523 -16.054 17.918 31.611 1.00 0.00 WAT +ATOM 49879 H2 TIP3 14523 -16.492 17.948 30.189 1.00 0.00 WAT +ATOM 49880 OH2 TIP3 14524 -13.133 17.161 29.510 1.00 0.00 WAT +ATOM 49881 H1 TIP3 14524 -14.010 17.281 29.922 1.00 0.00 WAT +ATOM 49882 H2 TIP3 14524 -12.692 16.591 30.169 1.00 0.00 WAT +ATOM 49883 OH2 TIP3 14525 -11.316 15.706 31.327 1.00 0.00 WAT +ATOM 49884 H1 TIP3 14525 -11.479 14.754 31.484 1.00 0.00 WAT +ATOM 49885 H2 TIP3 14525 -11.517 16.107 32.194 1.00 0.00 WAT +ATOM 49886 OH2 TIP3 14526 -21.146 17.068 30.785 1.00 0.00 WAT +ATOM 49887 H1 TIP3 14526 -21.272 16.373 30.122 1.00 0.00 WAT +ATOM 49888 H2 TIP3 14526 -21.391 16.602 31.607 1.00 0.00 WAT +ATOM 49889 OH2 TIP3 14527 -17.161 13.058 29.768 1.00 0.00 WAT +ATOM 49890 H1 TIP3 14527 -16.558 12.304 29.828 1.00 0.00 WAT +ATOM 49891 H2 TIP3 14527 -17.181 13.221 28.805 1.00 0.00 WAT +ATOM 49892 OH2 TIP3 14528 -16.212 14.923 31.615 1.00 0.00 WAT +ATOM 49893 H1 TIP3 14528 -16.557 14.338 30.911 1.00 0.00 WAT +ATOM 49894 H2 TIP3 14528 -16.891 15.617 31.659 1.00 0.00 WAT +ATOM 49895 OH2 TIP3 14529 -17.143 31.931 15.070 1.00 0.00 WAT +ATOM 49896 H1 TIP3 14529 -16.195 32.042 15.232 1.00 0.00 WAT +ATOM 49897 H2 TIP3 14529 -17.241 32.446 14.257 1.00 0.00 WAT +ATOM 49898 OH2 TIP3 14530 -23.215 26.365 14.665 1.00 0.00 WAT +ATOM 49899 H1 TIP3 14530 -22.255 26.544 14.759 1.00 0.00 WAT +ATOM 49900 H2 TIP3 14530 -23.213 25.597 14.057 1.00 0.00 WAT +ATOM 49901 OH2 TIP3 14531 -24.252 31.573 19.421 1.00 0.00 WAT +ATOM 49902 H1 TIP3 14531 -24.959 31.183 18.881 1.00 0.00 WAT +ATOM 49903 H2 TIP3 14531 -24.114 30.877 20.096 1.00 0.00 WAT +ATOM 49904 OH2 TIP3 14532 -23.878 29.587 21.381 1.00 0.00 WAT +ATOM 49905 H1 TIP3 14532 -24.117 28.698 21.687 1.00 0.00 WAT +ATOM 49906 H2 TIP3 14532 -23.466 29.931 22.191 1.00 0.00 WAT +ATOM 49907 OH2 TIP3 14533 -6.304 30.883 24.380 1.00 0.00 WAT +ATOM 49908 H1 TIP3 14533 -6.119 30.808 25.327 1.00 0.00 WAT +ATOM 49909 H2 TIP3 14533 -5.437 31.126 24.029 1.00 0.00 WAT +ATOM 49910 OH2 TIP3 14534 -6.409 30.303 27.268 1.00 0.00 WAT +ATOM 49911 H1 TIP3 14534 -6.918 29.555 26.900 1.00 0.00 WAT +ATOM 49912 H2 TIP3 14534 -5.840 29.826 27.892 1.00 0.00 WAT +ATOM 49913 OH2 TIP3 14535 -8.405 25.691 31.567 1.00 0.00 WAT +ATOM 49914 H1 TIP3 14535 -9.291 25.788 31.954 1.00 0.00 WAT +ATOM 49915 H2 TIP3 14535 -7.953 26.504 31.848 1.00 0.00 WAT +ATOM 49916 OH2 TIP3 14536 -7.159 24.655 17.071 1.00 0.00 WAT +ATOM 49917 H1 TIP3 14536 -6.331 24.945 17.480 1.00 0.00 WAT +ATOM 49918 H2 TIP3 14536 -7.569 24.154 17.792 1.00 0.00 WAT +ATOM 49919 OH2 TIP3 14537 -6.526 22.489 19.228 1.00 0.00 WAT +ATOM 49920 H1 TIP3 14537 -7.314 22.054 19.611 1.00 0.00 WAT +ATOM 49921 H2 TIP3 14537 -5.928 22.620 19.985 1.00 0.00 WAT +ATOM 49922 OH2 TIP3 14538 -6.794 25.080 24.266 1.00 0.00 WAT +ATOM 49923 H1 TIP3 14538 -6.223 24.584 23.658 1.00 0.00 WAT +ATOM 49924 H2 TIP3 14538 -6.708 25.985 23.923 1.00 0.00 WAT +ATOM 49925 OH2 TIP3 14539 -8.099 27.998 26.489 1.00 0.00 WAT +ATOM 49926 H1 TIP3 14539 -8.846 28.390 26.974 1.00 0.00 WAT +ATOM 49927 H2 TIP3 14539 -8.546 27.638 25.695 1.00 0.00 WAT +ATOM 49928 OH2 TIP3 14540 -6.267 22.061 15.881 1.00 0.00 WAT +ATOM 49929 H1 TIP3 14540 -6.822 22.305 15.123 1.00 0.00 WAT +ATOM 49930 H2 TIP3 14540 -6.471 22.783 16.503 1.00 0.00 WAT +ATOM 49931 OH2 TIP3 14541 -7.809 19.565 13.992 1.00 0.00 WAT +ATOM 49932 H1 TIP3 14541 -7.911 20.097 13.194 1.00 0.00 WAT +ATOM 49933 H2 TIP3 14541 -8.274 18.748 13.728 1.00 0.00 WAT +ATOM 49934 OH2 TIP3 14542 -8.885 20.964 19.777 1.00 0.00 WAT +ATOM 49935 H1 TIP3 14542 -8.933 20.009 19.626 1.00 0.00 WAT +ATOM 49936 H2 TIP3 14542 -9.288 21.086 20.650 1.00 0.00 WAT +ATOM 49937 OH2 TIP3 14543 -23.784 22.978 23.788 1.00 0.00 WAT +ATOM 49938 H1 TIP3 14543 -23.534 22.989 22.848 1.00 0.00 WAT +ATOM 49939 H2 TIP3 14543 -22.921 22.726 24.185 1.00 0.00 WAT +ATOM 49940 OH2 TIP3 14544 -7.880 22.538 29.405 1.00 0.00 WAT +ATOM 49941 H1 TIP3 14544 -7.091 21.977 29.417 1.00 0.00 WAT +ATOM 49942 H2 TIP3 14544 -7.525 23.363 29.036 1.00 0.00 WAT +ATOM 49943 OH2 TIP3 14545 -6.253 20.208 30.559 1.00 0.00 WAT +ATOM 49944 H1 TIP3 14545 -7.058 19.908 30.092 1.00 0.00 WAT +ATOM 49945 H2 TIP3 14545 -5.520 19.780 30.102 1.00 0.00 WAT +ATOM 49946 OH2 TIP3 14546 -8.705 16.947 13.313 1.00 0.00 WAT +ATOM 49947 H1 TIP3 14546 -8.179 16.421 13.934 1.00 0.00 WAT +ATOM 49948 H2 TIP3 14546 -9.618 16.624 13.444 1.00 0.00 WAT +ATOM 49949 OH2 TIP3 14547 -8.722 18.280 18.332 1.00 0.00 WAT +ATOM 49950 H1 TIP3 14547 -8.472 17.331 18.382 1.00 0.00 WAT +ATOM 49951 H2 TIP3 14547 -7.938 18.631 17.874 1.00 0.00 WAT +ATOM 49952 OH2 TIP3 14548 -8.513 18.764 23.725 1.00 0.00 WAT +ATOM 49953 H1 TIP3 14548 -7.556 18.947 23.652 1.00 0.00 WAT +ATOM 49954 H2 TIP3 14548 -8.640 18.839 24.682 1.00 0.00 WAT +ATOM 49955 OH2 TIP3 14549 -8.046 19.241 26.690 1.00 0.00 WAT +ATOM 49956 H1 TIP3 14549 -8.921 19.591 26.926 1.00 0.00 WAT +ATOM 49957 H2 TIP3 14549 -7.570 20.047 26.420 1.00 0.00 WAT +ATOM 49958 OH2 TIP3 14550 -23.865 18.272 30.087 1.00 0.00 WAT +ATOM 49959 H1 TIP3 14550 -22.932 18.049 30.245 1.00 0.00 WAT +ATOM 49960 H2 TIP3 14550 -24.301 17.419 30.261 1.00 0.00 WAT +ATOM 49961 OH2 TIP3 14551 -5.997 14.034 31.252 1.00 0.00 WAT +ATOM 49962 H1 TIP3 14551 -5.548 13.169 31.169 1.00 0.00 WAT +ATOM 49963 H2 TIP3 14551 -5.294 14.624 30.959 1.00 0.00 WAT +ATOM 49964 OH2 TIP3 14552 -8.264 15.517 18.240 1.00 0.00 WAT +ATOM 49965 H1 TIP3 14552 -8.165 15.121 19.120 1.00 0.00 WAT +ATOM 49966 H2 TIP3 14552 -8.984 14.980 17.850 1.00 0.00 WAT +ATOM 49967 OH2 TIP3 14553 -23.090 16.613 22.993 1.00 0.00 WAT +ATOM 49968 H1 TIP3 14553 -22.622 15.759 23.034 1.00 0.00 WAT +ATOM 49969 H2 TIP3 14553 -22.394 17.215 23.317 1.00 0.00 WAT +ATOM 49970 OH2 TIP3 14554 -24.549 19.300 24.005 1.00 0.00 WAT +ATOM 49971 H1 TIP3 14554 -23.952 19.238 23.242 1.00 0.00 WAT +ATOM 49972 H2 TIP3 14554 -24.158 20.041 24.483 1.00 0.00 WAT +ATOM 49973 OH2 TIP3 14555 -6.262 15.802 14.818 1.00 0.00 WAT +ATOM 49974 H1 TIP3 14555 -5.952 15.071 14.275 1.00 0.00 WAT +ATOM 49975 H2 TIP3 14555 -5.441 16.311 14.918 1.00 0.00 WAT +ATOM 49976 OH2 TIP3 14556 -24.040 15.653 18.088 1.00 0.00 WAT +ATOM 49977 H1 TIP3 14556 -24.985 15.679 17.865 1.00 0.00 WAT +ATOM 49978 H2 TIP3 14556 -23.633 16.238 17.420 1.00 0.00 WAT +ATOM 49979 OH2 TIP3 14557 -9.403 31.012 20.159 1.00 0.00 WAT +ATOM 49980 H1 TIP3 14557 -8.970 30.663 19.362 1.00 0.00 WAT +ATOM 49981 H2 TIP3 14557 -8.648 31.227 20.716 1.00 0.00 WAT +ATOM 49982 OH2 TIP3 14558 -24.001 14.497 26.214 1.00 0.00 WAT +ATOM 49983 H1 TIP3 14558 -24.702 14.256 26.836 1.00 0.00 WAT +ATOM 49984 H2 TIP3 14558 -24.497 15.030 25.568 1.00 0.00 WAT +ATOM 49985 OH2 TIP3 14559 -22.006 27.660 30.901 1.00 0.00 WAT +ATOM 49986 H1 TIP3 14559 -22.727 27.575 30.262 1.00 0.00 WAT +ATOM 49987 H2 TIP3 14559 -22.459 27.524 31.746 1.00 0.00 WAT +ATOM 49988 OH2 TIP3 14560 -19.179 28.594 26.575 1.00 0.00 WAT +ATOM 49989 H1 TIP3 14560 -19.470 29.448 26.212 1.00 0.00 WAT +ATOM 49990 H2 TIP3 14560 -18.218 28.666 26.398 1.00 0.00 WAT +ATOM 49991 OH2 TIP3 14561 -14.677 29.910 29.588 1.00 0.00 WAT +ATOM 49992 H1 TIP3 14561 -14.516 29.715 30.524 1.00 0.00 WAT +ATOM 49993 H2 TIP3 14561 -13.838 30.341 29.328 1.00 0.00 WAT +ATOM 49994 OH2 TIP3 14562 -12.360 31.361 28.890 1.00 0.00 WAT +ATOM 49995 H1 TIP3 14562 -11.680 30.717 28.635 1.00 0.00 WAT +ATOM 49996 H2 TIP3 14562 -12.037 31.656 29.763 1.00 0.00 WAT +ATOM 49997 OH2 TIP3 14563 -7.657 14.355 28.140 1.00 0.00 WAT +ATOM 49998 H1 TIP3 14563 -8.402 14.397 27.509 1.00 0.00 WAT +ATOM 49999 H2 TIP3 14563 -7.306 13.463 27.935 1.00 0.00 WAT +ATOM 50000 OH2 TIP3 14564 -21.811 31.535 26.901 1.00 0.00 WAT +ATOM 50001 H1 TIP3 14564 -22.398 32.180 26.466 1.00 0.00 WAT +ATOM 50002 H2 TIP3 14564 -22.129 31.591 27.810 1.00 0.00 WAT +ATOM 50003 OH2 TIP3 14565 -19.305 31.315 25.467 1.00 0.00 WAT +ATOM 50004 H1 TIP3 14565 -20.158 31.513 25.898 1.00 0.00 WAT +ATOM 50005 H2 TIP3 14565 -19.257 32.001 24.776 1.00 0.00 WAT +ATOM 50006 OH2 TIP3 14566 -14.574 31.299 25.021 1.00 0.00 WAT +ATOM 50007 H1 TIP3 14566 -14.926 31.728 24.220 1.00 0.00 WAT +ATOM 50008 H2 TIP3 14566 -14.479 32.058 25.621 1.00 0.00 WAT +ATOM 50009 OH2 TIP3 14567 -12.235 30.046 25.994 1.00 0.00 WAT +ATOM 50010 H1 TIP3 14567 -13.067 30.361 25.595 1.00 0.00 WAT +ATOM 50011 H2 TIP3 14567 -11.663 30.817 25.884 1.00 0.00 WAT +ATOM 50012 OH2 TIP3 14568 -9.674 31.767 26.132 1.00 0.00 WAT +ATOM 50013 H1 TIP3 14568 -9.746 32.696 25.848 1.00 0.00 WAT +ATOM 50014 H2 TIP3 14568 -9.411 31.343 25.295 1.00 0.00 WAT +ATOM 50015 OH2 TIP3 14569 -22.237 30.315 23.833 1.00 0.00 WAT +ATOM 50016 H1 TIP3 14569 -22.228 29.854 24.699 1.00 0.00 WAT +ATOM 50017 H2 TIP3 14569 -21.454 29.905 23.408 1.00 0.00 WAT +ATOM 50018 OH2 TIP3 14570 -20.211 29.111 22.313 1.00 0.00 WAT +ATOM 50019 H1 TIP3 14570 -20.329 28.164 22.530 1.00 0.00 WAT +ATOM 50020 H2 TIP3 14570 -19.279 29.254 22.578 1.00 0.00 WAT +ATOM 50021 OH2 TIP3 14571 -17.466 29.564 23.183 1.00 0.00 WAT +ATOM 50022 H1 TIP3 14571 -17.224 28.660 22.915 1.00 0.00 WAT +ATOM 50023 H2 TIP3 14571 -17.373 29.496 24.146 1.00 0.00 WAT +ATOM 50024 OH2 TIP3 14572 -14.071 15.426 22.503 1.00 0.00 WAT +ATOM 50025 H1 TIP3 14572 -14.789 14.770 22.585 1.00 0.00 WAT +ATOM 50026 H2 TIP3 14572 -13.503 15.017 21.832 1.00 0.00 WAT +ATOM 50027 OH2 TIP3 14573 -9.156 13.484 22.940 1.00 0.00 WAT +ATOM 50028 H1 TIP3 14573 -8.393 13.900 22.497 1.00 0.00 WAT +ATOM 50029 H2 TIP3 14573 -9.897 13.776 22.378 1.00 0.00 WAT +ATOM 50030 OH2 TIP3 14574 -7.093 14.555 20.852 1.00 0.00 WAT +ATOM 50031 H1 TIP3 14574 -6.426 14.080 20.310 1.00 0.00 WAT +ATOM 50032 H2 TIP3 14574 -6.738 15.468 20.837 1.00 0.00 WAT +ATOM 50033 OH2 TIP3 14575 -21.710 14.060 20.051 1.00 0.00 WAT +ATOM 50034 H1 TIP3 14575 -22.563 13.910 19.601 1.00 0.00 WAT +ATOM 50035 H2 TIP3 14575 -21.248 13.216 19.856 1.00 0.00 WAT +ATOM 50036 OH2 TIP3 14576 -22.950 13.651 15.948 1.00 0.00 WAT +ATOM 50037 H1 TIP3 14576 -22.447 14.285 15.404 1.00 0.00 WAT +ATOM 50038 H2 TIP3 14576 -23.350 14.224 16.620 1.00 0.00 WAT +ATOM 50039 OH2 TIP3 14577 -17.337 13.995 19.834 1.00 0.00 WAT +ATOM 50040 H1 TIP3 14577 -16.392 14.170 19.713 1.00 0.00 WAT +ATOM 50041 H2 TIP3 14577 -17.371 13.641 20.726 1.00 0.00 WAT +ATOM 50042 OH2 TIP3 14578 -11.641 13.991 21.350 1.00 0.00 WAT +ATOM 50043 H1 TIP3 14578 -11.467 13.936 20.401 1.00 0.00 WAT +ATOM 50044 H2 TIP3 14578 -12.078 13.140 21.532 1.00 0.00 WAT +ATOM 50045 OH2 TIP3 14579 -10.502 14.069 17.192 1.00 0.00 WAT +ATOM 50046 H1 TIP3 14579 -11.313 14.573 16.991 1.00 0.00 WAT +ATOM 50047 H2 TIP3 14579 -10.846 13.163 17.319 1.00 0.00 WAT +ATOM 50048 OH2 TIP3 14580 -22.828 29.609 17.104 1.00 0.00 WAT +ATOM 50049 H1 TIP3 14580 -23.401 29.492 16.333 1.00 0.00 WAT +ATOM 50050 H2 TIP3 14580 -22.758 30.574 17.127 1.00 0.00 WAT +ATOM 50051 OH2 TIP3 14581 -21.236 15.483 14.321 1.00 0.00 WAT +ATOM 50052 H1 TIP3 14581 -20.646 14.911 13.801 1.00 0.00 WAT +ATOM 50053 H2 TIP3 14581 -20.620 15.823 14.996 1.00 0.00 WAT +ATOM 50054 OH2 TIP3 14582 -16.202 15.589 16.953 1.00 0.00 WAT +ATOM 50055 H1 TIP3 14582 -15.779 15.018 17.613 1.00 0.00 WAT +ATOM 50056 H2 TIP3 14582 -15.908 16.459 17.263 1.00 0.00 WAT +ATOM 50057 OH2 TIP3 14583 -14.092 31.406 15.191 1.00 0.00 WAT +ATOM 50058 H1 TIP3 14583 -13.119 31.408 15.148 1.00 0.00 WAT +ATOM 50059 H2 TIP3 14583 -14.291 30.734 14.518 1.00 0.00 WAT +ATOM 50060 OH2 TIP3 14584 -7.581 30.456 17.782 1.00 0.00 WAT +ATOM 50061 H1 TIP3 14584 -7.801 29.592 17.372 1.00 0.00 WAT +ATOM 50062 H2 TIP3 14584 -7.636 31.046 17.014 1.00 0.00 WAT +ATOM 50063 OH2 TIP3 14585 -21.950 14.383 29.532 1.00 0.00 WAT +ATOM 50064 H1 TIP3 14585 -22.362 13.596 29.931 1.00 0.00 WAT +ATOM 50065 H2 TIP3 14585 -21.037 14.288 29.848 1.00 0.00 WAT +ATOM 50066 OH2 TIP3 14586 -19.566 13.776 31.300 1.00 0.00 WAT +ATOM 50067 H1 TIP3 14586 -18.754 13.403 30.903 1.00 0.00 WAT +ATOM 50068 H2 TIP3 14586 -19.935 12.991 31.737 1.00 0.00 WAT +ATOM 50069 OH2 TIP3 14587 -21.384 30.478 13.880 1.00 0.00 WAT +ATOM 50070 H1 TIP3 14587 -21.513 30.829 14.771 1.00 0.00 WAT +ATOM 50071 H2 TIP3 14587 -20.544 29.990 13.962 1.00 0.00 WAT +ATOM 50072 OH2 TIP3 14588 -11.476 12.889 31.454 1.00 0.00 WAT +ATOM 50073 H1 TIP3 14588 -11.460 12.481 32.343 1.00 0.00 WAT +ATOM 50074 H2 TIP3 14588 -10.530 12.848 31.213 1.00 0.00 WAT +ATOM 50075 OH2 TIP3 14589 -8.093 29.223 30.161 1.00 0.00 WAT +ATOM 50076 H1 TIP3 14589 -8.823 29.028 29.545 1.00 0.00 WAT +ATOM 50077 H2 TIP3 14589 -8.268 30.159 30.360 1.00 0.00 WAT +ATOM 50078 OH2 TIP3 14590 6.113 22.905 20.304 1.00 0.00 WAT +ATOM 50079 H1 TIP3 14590 6.099 23.872 20.393 1.00 0.00 WAT +ATOM 50080 H2 TIP3 14590 5.356 22.755 19.720 1.00 0.00 WAT +ATOM 50081 OH2 TIP3 14591 4.943 22.354 23.377 1.00 0.00 WAT +ATOM 50082 H1 TIP3 14591 4.949 21.776 24.157 1.00 0.00 WAT +ATOM 50083 H2 TIP3 14591 4.702 21.729 22.677 1.00 0.00 WAT +ATOM 50084 OH2 TIP3 14592 -2.582 21.944 25.056 1.00 0.00 WAT +ATOM 50085 H1 TIP3 14592 -2.558 21.192 25.673 1.00 0.00 WAT +ATOM 50086 H2 TIP3 14592 -1.834 22.471 25.373 1.00 0.00 WAT +ATOM 50087 OH2 TIP3 14593 8.637 25.102 21.688 1.00 0.00 WAT +ATOM 50088 H1 TIP3 14593 8.271 24.368 22.200 1.00 0.00 WAT +ATOM 50089 H2 TIP3 14593 8.935 25.693 22.391 1.00 0.00 WAT +ATOM 50090 OH2 TIP3 14594 -1.912 26.573 23.543 1.00 0.00 WAT +ATOM 50091 H1 TIP3 14594 -2.145 25.656 23.281 1.00 0.00 WAT +ATOM 50092 H2 TIP3 14594 -0.976 26.443 23.757 1.00 0.00 WAT +ATOM 50093 OH2 TIP3 14595 -4.942 19.991 18.964 1.00 0.00 WAT +ATOM 50094 H1 TIP3 14595 -5.361 20.869 18.948 1.00 0.00 WAT +ATOM 50095 H2 TIP3 14595 -5.594 19.460 18.490 1.00 0.00 WAT +ATOM 50096 OH2 TIP3 14596 -4.096 22.453 20.844 1.00 0.00 WAT +ATOM 50097 H1 TIP3 14596 -3.970 21.577 21.256 1.00 0.00 WAT +ATOM 50098 H2 TIP3 14596 -3.310 22.521 20.286 1.00 0.00 WAT +ATOM 50099 OH2 TIP3 14597 5.716 30.451 22.262 1.00 0.00 WAT +ATOM 50100 H1 TIP3 14597 6.291 29.737 21.924 1.00 0.00 WAT +ATOM 50101 H2 TIP3 14597 5.433 30.085 23.110 1.00 0.00 WAT +ATOM 50102 OH2 TIP3 14598 3.446 24.860 23.937 1.00 0.00 WAT +ATOM 50103 H1 TIP3 14598 3.761 24.134 23.369 1.00 0.00 WAT +ATOM 50104 H2 TIP3 14598 4.262 25.004 24.455 1.00 0.00 WAT +ATOM 50105 OH2 TIP3 14599 12.114 16.377 24.573 1.00 0.00 WAT +ATOM 50106 H1 TIP3 14599 12.368 16.989 25.283 1.00 0.00 WAT +ATOM 50107 H2 TIP3 14599 12.727 16.653 23.866 1.00 0.00 WAT +ATOM 50108 OH2 TIP3 14600 6.750 19.192 24.444 1.00 0.00 WAT +ATOM 50109 H1 TIP3 14600 6.881 18.231 24.515 1.00 0.00 WAT +ATOM 50110 H2 TIP3 14600 6.662 19.300 23.484 1.00 0.00 WAT +ATOM 50111 OH2 TIP3 14601 -0.320 17.203 21.533 1.00 0.00 WAT +ATOM 50112 H1 TIP3 14601 -0.141 18.045 21.070 1.00 0.00 WAT +ATOM 50113 H2 TIP3 14601 -0.628 16.664 20.777 1.00 0.00 WAT +ATOM 50114 OH2 TIP3 14602 7.570 17.373 19.842 1.00 0.00 WAT +ATOM 50115 H1 TIP3 14602 8.148 16.940 20.508 1.00 0.00 WAT +ATOM 50116 H2 TIP3 14602 8.233 17.801 19.281 1.00 0.00 WAT +ATOM 50117 OH2 TIP3 14603 -3.613 19.910 22.043 1.00 0.00 WAT +ATOM 50118 H1 TIP3 14603 -2.943 19.448 22.571 1.00 0.00 WAT +ATOM 50119 H2 TIP3 14603 -3.524 19.464 21.181 1.00 0.00 WAT +ATOM 50120 OH2 TIP3 14604 1.778 21.314 21.501 1.00 0.00 WAT +ATOM 50121 H1 TIP3 14604 2.499 20.772 21.878 1.00 0.00 WAT +ATOM 50122 H2 TIP3 14604 1.294 20.646 20.980 1.00 0.00 WAT +ATOM 50123 OH2 TIP3 14605 12.860 17.757 27.064 1.00 0.00 WAT +ATOM 50124 H1 TIP3 14605 12.257 18.463 26.768 1.00 0.00 WAT +ATOM 50125 H2 TIP3 14605 12.614 17.696 27.997 1.00 0.00 WAT +ATOM 50126 OH2 TIP3 14606 -1.557 15.949 25.714 1.00 0.00 WAT +ATOM 50127 H1 TIP3 14606 -1.880 16.452 24.951 1.00 0.00 WAT +ATOM 50128 H2 TIP3 14606 -2.138 16.259 26.420 1.00 0.00 WAT +ATOM 50129 OH2 TIP3 14607 6.029 25.767 19.074 1.00 0.00 WAT +ATOM 50130 H1 TIP3 14607 5.697 25.499 18.214 1.00 0.00 WAT +ATOM 50131 H2 TIP3 14607 5.541 26.592 19.246 1.00 0.00 WAT +ATOM 50132 OH2 TIP3 14608 1.461 23.881 25.806 1.00 0.00 WAT +ATOM 50133 H1 TIP3 14608 0.721 24.476 26.046 1.00 0.00 WAT +ATOM 50134 H2 TIP3 14608 2.082 24.484 25.359 1.00 0.00 WAT +ATOM 50135 OH2 TIP3 14609 9.395 16.618 21.871 1.00 0.00 WAT +ATOM 50136 H1 TIP3 14609 9.015 16.001 22.509 1.00 0.00 WAT +ATOM 50137 H2 TIP3 14609 9.927 17.196 22.444 1.00 0.00 WAT +ATOM 50138 OH2 TIP3 14610 -1.881 18.008 23.643 1.00 0.00 WAT +ATOM 50139 H1 TIP3 14610 -1.229 18.600 24.079 1.00 0.00 WAT +ATOM 50140 H2 TIP3 14610 -1.323 17.659 22.911 1.00 0.00 WAT +ATOM 50141 OH2 TIP3 14611 -0.566 25.743 26.525 1.00 0.00 WAT +ATOM 50142 H1 TIP3 14611 -0.599 26.668 26.219 1.00 0.00 WAT +ATOM 50143 H2 TIP3 14611 -1.430 25.678 26.972 1.00 0.00 WAT +ATOM 50144 OH2 TIP3 14612 -4.305 25.418 17.407 1.00 0.00 WAT +ATOM 50145 H1 TIP3 14612 -4.544 25.903 16.601 1.00 0.00 WAT +ATOM 50146 H2 TIP3 14612 -4.166 26.118 18.072 1.00 0.00 WAT +ATOM 50147 OH2 TIP3 14613 9.203 26.898 24.197 1.00 0.00 WAT +ATOM 50148 H1 TIP3 14613 8.234 27.006 24.207 1.00 0.00 WAT +ATOM 50149 H2 TIP3 14613 9.476 27.749 23.812 1.00 0.00 WAT +ATOM 50150 OH2 TIP3 14614 9.528 15.801 25.728 1.00 0.00 WAT +ATOM 50151 H1 TIP3 14614 8.752 16.155 25.254 1.00 0.00 WAT +ATOM 50152 H2 TIP3 14614 10.248 15.949 25.087 1.00 0.00 WAT +ATOM 50153 OH2 TIP3 14615 2.653 13.497 22.739 1.00 0.00 WAT +ATOM 50154 H1 TIP3 14615 2.456 12.543 22.711 1.00 0.00 WAT +ATOM 50155 H2 TIP3 14615 1.836 13.855 23.144 1.00 0.00 WAT +ATOM 50156 OH2 TIP3 14616 7.510 28.830 20.772 1.00 0.00 WAT +ATOM 50157 H1 TIP3 14616 7.979 28.029 20.460 1.00 0.00 WAT +ATOM 50158 H2 TIP3 14616 8.184 29.517 20.624 1.00 0.00 WAT +ATOM 50159 OH2 TIP3 14617 8.951 26.700 19.371 1.00 0.00 WAT +ATOM 50160 H1 TIP3 14617 8.437 26.234 18.696 1.00 0.00 WAT +ATOM 50161 H2 TIP3 14617 8.904 26.060 20.109 1.00 0.00 WAT +ATOM 50162 OH2 TIP3 14618 10.494 25.528 27.858 1.00 0.00 WAT +ATOM 50163 H1 TIP3 14618 10.394 24.864 27.150 1.00 0.00 WAT +ATOM 50164 H2 TIP3 14618 10.639 26.345 27.349 1.00 0.00 WAT +ATOM 50165 OH2 TIP3 14619 4.766 22.445 17.566 1.00 0.00 WAT +ATOM 50166 H1 TIP3 14619 4.098 23.014 17.145 1.00 0.00 WAT +ATOM 50167 H2 TIP3 14619 5.478 22.448 16.903 1.00 0.00 WAT +ATOM 50168 OH2 TIP3 14620 5.028 20.619 14.632 1.00 0.00 WAT +ATOM 50169 H1 TIP3 14620 5.753 20.923 15.207 1.00 0.00 WAT +ATOM 50170 H2 TIP3 14620 5.520 20.041 14.028 1.00 0.00 WAT +ATOM 50171 OH2 TIP3 14621 12.254 21.691 25.803 1.00 0.00 WAT +ATOM 50172 H1 TIP3 14621 11.538 22.350 25.883 1.00 0.00 WAT +ATOM 50173 H2 TIP3 14621 12.740 22.033 25.027 1.00 0.00 WAT +ATOM 50174 OH2 TIP3 14622 8.282 22.435 18.636 1.00 0.00 WAT +ATOM 50175 H1 TIP3 14622 7.592 22.630 19.310 1.00 0.00 WAT +ATOM 50176 H2 TIP3 14622 8.880 21.860 19.148 1.00 0.00 WAT +ATOM 50177 OH2 TIP3 14623 8.113 20.956 27.480 1.00 0.00 WAT +ATOM 50178 H1 TIP3 14623 8.158 21.781 27.989 1.00 0.00 WAT +ATOM 50179 H2 TIP3 14623 7.462 21.228 26.809 1.00 0.00 WAT +ATOM 50180 OH2 TIP3 14624 -0.137 23.195 20.410 1.00 0.00 WAT +ATOM 50181 H1 TIP3 14624 -0.455 22.757 19.595 1.00 0.00 WAT +ATOM 50182 H2 TIP3 14624 0.511 22.548 20.744 1.00 0.00 WAT +ATOM 50183 OH2 TIP3 14625 1.237 26.609 23.144 1.00 0.00 WAT +ATOM 50184 H1 TIP3 14625 1.122 26.200 22.275 1.00 0.00 WAT +ATOM 50185 H2 TIP3 14625 2.025 26.135 23.476 1.00 0.00 WAT +ATOM 50186 OH2 TIP3 14626 0.440 22.008 23.907 1.00 0.00 WAT +ATOM 50187 H1 TIP3 14626 1.008 22.013 23.111 1.00 0.00 WAT +ATOM 50188 H2 TIP3 14626 0.872 22.665 24.483 1.00 0.00 WAT +ATOM 50189 OH2 TIP3 14627 6.376 27.531 24.478 1.00 0.00 WAT +ATOM 50190 H1 TIP3 14627 6.428 28.179 25.201 1.00 0.00 WAT +ATOM 50191 H2 TIP3 14627 6.170 26.697 24.937 1.00 0.00 WAT +ATOM 50192 OH2 TIP3 14628 1.300 26.329 28.725 1.00 0.00 WAT +ATOM 50193 H1 TIP3 14628 0.783 26.985 29.225 1.00 0.00 WAT +ATOM 50194 H2 TIP3 14628 0.659 26.054 28.042 1.00 0.00 WAT +ATOM 50195 OH2 TIP3 14629 7.229 21.884 16.078 1.00 0.00 WAT +ATOM 50196 H1 TIP3 14629 7.718 22.148 16.885 1.00 0.00 WAT +ATOM 50197 H2 TIP3 14629 7.716 22.389 15.382 1.00 0.00 WAT +ATOM 50198 OH2 TIP3 14630 -1.780 22.771 27.843 1.00 0.00 WAT +ATOM 50199 H1 TIP3 14630 -1.723 23.309 28.652 1.00 0.00 WAT +ATOM 50200 H2 TIP3 14630 -2.732 22.612 27.773 1.00 0.00 WAT +ATOM 50201 OH2 TIP3 14631 4.683 28.468 19.652 1.00 0.00 WAT +ATOM 50202 H1 TIP3 14631 5.157 28.755 20.441 1.00 0.00 WAT +ATOM 50203 H2 TIP3 14631 4.187 29.257 19.389 1.00 0.00 WAT +ATOM 50204 OH2 TIP3 14632 -0.614 28.531 29.558 1.00 0.00 WAT +ATOM 50205 H1 TIP3 14632 -0.714 28.539 28.591 1.00 0.00 WAT +ATOM 50206 H2 TIP3 14632 -1.487 28.226 29.873 1.00 0.00 WAT +ATOM 50207 OH2 TIP3 14633 10.862 13.412 15.590 1.00 0.00 WAT +ATOM 50208 H1 TIP3 14633 9.971 13.438 15.971 1.00 0.00 WAT +ATOM 50209 H2 TIP3 14633 11.162 14.323 15.684 1.00 0.00 WAT +ATOM 50210 OH2 TIP3 14634 -1.237 21.956 17.975 1.00 0.00 WAT +ATOM 50211 H1 TIP3 14634 -1.422 22.700 17.376 1.00 0.00 WAT +ATOM 50212 H2 TIP3 14634 -1.851 21.282 17.657 1.00 0.00 WAT +ATOM 50213 OH2 TIP3 14635 12.041 27.748 14.117 1.00 0.00 WAT +ATOM 50214 H1 TIP3 14635 12.204 28.678 14.367 1.00 0.00 WAT +ATOM 50215 H2 TIP3 14635 12.905 27.335 14.314 1.00 0.00 WAT +ATOM 50216 OH2 TIP3 14636 -5.152 24.625 26.669 1.00 0.00 WAT +ATOM 50217 H1 TIP3 14636 -5.596 24.636 25.797 1.00 0.00 WAT +ATOM 50218 H2 TIP3 14636 -5.023 23.671 26.817 1.00 0.00 WAT +ATOM 50219 OH2 TIP3 14637 -5.088 27.566 23.591 1.00 0.00 WAT +ATOM 50220 H1 TIP3 14637 -4.179 27.233 23.633 1.00 0.00 WAT +ATOM 50221 H2 TIP3 14637 -5.125 28.126 24.378 1.00 0.00 WAT +ATOM 50222 OH2 TIP3 14638 13.295 28.132 29.371 1.00 0.00 WAT +ATOM 50223 H1 TIP3 14638 13.189 27.179 29.192 1.00 0.00 WAT +ATOM 50224 H2 TIP3 14638 12.385 28.368 29.652 1.00 0.00 WAT +ATOM 50225 OH2 TIP3 14639 3.932 27.380 28.165 1.00 0.00 WAT +ATOM 50226 H1 TIP3 14639 4.008 28.198 28.696 1.00 0.00 WAT +ATOM 50227 H2 TIP3 14639 3.035 27.071 28.403 1.00 0.00 WAT +ATOM 50228 OH2 TIP3 14640 4.187 31.202 18.157 1.00 0.00 WAT +ATOM 50229 H1 TIP3 14640 4.222 31.256 17.186 1.00 0.00 WAT +ATOM 50230 H2 TIP3 14640 4.297 32.124 18.432 1.00 0.00 WAT +ATOM 50231 OH2 TIP3 14641 -1.985 30.341 19.780 1.00 0.00 WAT +ATOM 50232 H1 TIP3 14641 -1.829 29.867 20.622 1.00 0.00 WAT +ATOM 50233 H2 TIP3 14641 -2.787 29.900 19.464 1.00 0.00 WAT +ATOM 50234 OH2 TIP3 14642 7.528 30.612 15.329 1.00 0.00 WAT +ATOM 50235 H1 TIP3 14642 8.100 29.959 14.879 1.00 0.00 WAT +ATOM 50236 H2 TIP3 14642 7.470 30.226 16.227 1.00 0.00 WAT +ATOM 50237 OH2 TIP3 14643 6.912 30.051 18.144 1.00 0.00 WAT +ATOM 50238 H1 TIP3 14643 5.952 30.142 18.271 1.00 0.00 WAT +ATOM 50239 H2 TIP3 14643 7.088 29.308 18.748 1.00 0.00 WAT +ATOM 50240 OH2 TIP3 14644 10.068 19.515 29.783 1.00 0.00 WAT +ATOM 50241 H1 TIP3 14644 9.557 19.897 29.056 1.00 0.00 WAT +ATOM 50242 H2 TIP3 14644 10.117 18.578 29.510 1.00 0.00 WAT +ATOM 50243 OH2 TIP3 14645 -2.983 26.173 27.936 1.00 0.00 WAT +ATOM 50244 H1 TIP3 14645 -2.684 25.680 28.727 1.00 0.00 WAT +ATOM 50245 H2 TIP3 14645 -3.687 25.605 27.574 1.00 0.00 WAT +ATOM 50246 OH2 TIP3 14646 0.226 14.612 23.685 1.00 0.00 WAT +ATOM 50247 H1 TIP3 14646 -0.588 14.599 23.154 1.00 0.00 WAT +ATOM 50248 H2 TIP3 14646 0.053 15.367 24.265 1.00 0.00 WAT +ATOM 50249 OH2 TIP3 14647 4.601 14.172 27.229 1.00 0.00 WAT +ATOM 50250 H1 TIP3 14647 5.145 13.744 27.918 1.00 0.00 WAT +ATOM 50251 H2 TIP3 14647 3.696 13.913 27.500 1.00 0.00 WAT +ATOM 50252 OH2 TIP3 14648 7.747 17.989 27.892 1.00 0.00 WAT +ATOM 50253 H1 TIP3 14648 7.138 17.846 28.639 1.00 0.00 WAT +ATOM 50254 H2 TIP3 14648 7.674 18.943 27.722 1.00 0.00 WAT +ATOM 50255 OH2 TIP3 14649 8.740 22.953 14.000 1.00 0.00 WAT +ATOM 50256 H1 TIP3 14649 8.563 22.702 13.074 1.00 0.00 WAT +ATOM 50257 H2 TIP3 14649 9.690 23.159 13.958 1.00 0.00 WAT +ATOM 50258 OH2 TIP3 14650 4.444 16.758 14.649 1.00 0.00 WAT +ATOM 50259 H1 TIP3 14650 3.949 16.602 15.466 1.00 0.00 WAT +ATOM 50260 H2 TIP3 14650 4.012 16.113 14.061 1.00 0.00 WAT +ATOM 50261 OH2 TIP3 14651 0.065 19.414 25.060 1.00 0.00 WAT +ATOM 50262 H1 TIP3 14651 -0.413 19.567 25.890 1.00 0.00 WAT +ATOM 50263 H2 TIP3 14651 0.188 20.326 24.719 1.00 0.00 WAT +ATOM 50264 OH2 TIP3 14652 0.035 19.498 19.965 1.00 0.00 WAT +ATOM 50265 H1 TIP3 14652 -0.918 19.387 19.792 1.00 0.00 WAT +ATOM 50266 H2 TIP3 14652 0.399 19.292 19.079 1.00 0.00 WAT +ATOM 50267 OH2 TIP3 14653 5.652 20.062 18.752 1.00 0.00 WAT +ATOM 50268 H1 TIP3 14653 5.246 20.882 18.399 1.00 0.00 WAT +ATOM 50269 H2 TIP3 14653 6.329 19.879 18.078 1.00 0.00 WAT +ATOM 50270 OH2 TIP3 14654 4.917 20.357 30.032 1.00 0.00 WAT +ATOM 50271 H1 TIP3 14654 4.393 19.617 30.403 1.00 0.00 WAT +ATOM 50272 H2 TIP3 14654 5.791 20.194 30.432 1.00 0.00 WAT +ATOM 50273 OH2 TIP3 14655 6.499 19.456 21.524 1.00 0.00 WAT +ATOM 50274 H1 TIP3 14655 6.206 20.016 20.777 1.00 0.00 WAT +ATOM 50275 H2 TIP3 14655 6.722 18.641 21.030 1.00 0.00 WAT +ATOM 50276 OH2 TIP3 14656 -2.678 19.612 27.015 1.00 0.00 WAT +ATOM 50277 H1 TIP3 14656 -2.122 19.866 27.766 1.00 0.00 WAT +ATOM 50278 H2 TIP3 14656 -2.953 18.713 27.264 1.00 0.00 WAT +ATOM 50279 OH2 TIP3 14657 0.874 17.212 13.516 1.00 0.00 WAT +ATOM 50280 H1 TIP3 14657 0.512 16.831 14.344 1.00 0.00 WAT +ATOM 50281 H2 TIP3 14657 0.075 17.329 12.994 1.00 0.00 WAT +ATOM 50282 OH2 TIP3 14658 -5.720 17.013 20.556 1.00 0.00 WAT +ATOM 50283 H1 TIP3 14658 -5.051 16.966 21.256 1.00 0.00 WAT +ATOM 50284 H2 TIP3 14658 -5.271 16.637 19.772 1.00 0.00 WAT +ATOM 50285 OH2 TIP3 14659 -4.087 17.485 16.285 1.00 0.00 WAT +ATOM 50286 H1 TIP3 14659 -3.571 17.946 15.602 1.00 0.00 WAT +ATOM 50287 H2 TIP3 14659 -4.831 18.090 16.449 1.00 0.00 WAT +ATOM 50288 OH2 TIP3 14660 5.601 21.129 25.993 1.00 0.00 WAT +ATOM 50289 H1 TIP3 14660 6.036 20.408 25.480 1.00 0.00 WAT +ATOM 50290 H2 TIP3 14660 5.278 20.644 26.764 1.00 0.00 WAT +ATOM 50291 OH2 TIP3 14661 2.809 17.107 21.003 1.00 0.00 WAT +ATOM 50292 H1 TIP3 14661 1.869 17.014 21.224 1.00 0.00 WAT +ATOM 50293 H2 TIP3 14661 3.234 16.873 21.847 1.00 0.00 WAT +ATOM 50294 OH2 TIP3 14662 -2.635 18.314 19.674 1.00 0.00 WAT +ATOM 50295 H1 TIP3 14662 -3.454 18.553 19.204 1.00 0.00 WAT +ATOM 50296 H2 TIP3 14662 -2.339 17.514 19.199 1.00 0.00 WAT +ATOM 50297 OH2 TIP3 14663 1.006 18.689 17.385 1.00 0.00 WAT +ATOM 50298 H1 TIP3 14663 1.979 18.711 17.412 1.00 0.00 WAT +ATOM 50299 H2 TIP3 14663 0.781 19.252 16.626 1.00 0.00 WAT +ATOM 50300 OH2 TIP3 14664 7.188 16.232 24.028 1.00 0.00 WAT +ATOM 50301 H1 TIP3 14664 6.540 16.222 24.765 1.00 0.00 WAT +ATOM 50302 H2 TIP3 14664 6.629 15.886 23.312 1.00 0.00 WAT +ATOM 50303 OH2 TIP3 14665 -0.566 19.926 15.101 1.00 0.00 WAT +ATOM 50304 H1 TIP3 14665 -1.109 19.577 14.378 1.00 0.00 WAT +ATOM 50305 H2 TIP3 14665 0.274 20.092 14.639 1.00 0.00 WAT +ATOM 50306 OH2 TIP3 14666 10.192 32.011 30.680 1.00 0.00 WAT +ATOM 50307 H1 TIP3 14666 10.427 32.451 29.846 1.00 0.00 WAT +ATOM 50308 H2 TIP3 14666 10.904 32.306 31.271 1.00 0.00 WAT +ATOM 50309 OH2 TIP3 14667 -1.896 24.630 30.105 1.00 0.00 WAT +ATOM 50310 H1 TIP3 14667 -1.203 24.694 30.796 1.00 0.00 WAT +ATOM 50311 H2 TIP3 14667 -2.688 24.623 30.675 1.00 0.00 WAT +ATOM 50312 OH2 TIP3 14668 3.822 19.630 22.832 1.00 0.00 WAT +ATOM 50313 H1 TIP3 14668 4.547 19.191 22.363 1.00 0.00 WAT +ATOM 50314 H2 TIP3 14668 3.657 19.010 23.571 1.00 0.00 WAT +ATOM 50315 OH2 TIP3 14669 -0.909 16.004 19.035 1.00 0.00 WAT +ATOM 50316 H1 TIP3 14669 -1.449 15.201 19.104 1.00 0.00 WAT +ATOM 50317 H2 TIP3 14669 -0.103 15.666 18.621 1.00 0.00 WAT +ATOM 50318 OH2 TIP3 14670 2.803 18.090 25.052 1.00 0.00 WAT +ATOM 50319 H1 TIP3 14670 2.022 18.662 25.102 1.00 0.00 WAT +ATOM 50320 H2 TIP3 14670 3.292 18.309 25.870 1.00 0.00 WAT +ATOM 50321 OH2 TIP3 14671 2.902 24.512 16.956 1.00 0.00 WAT +ATOM 50322 H1 TIP3 14671 2.166 23.963 16.609 1.00 0.00 WAT +ATOM 50323 H2 TIP3 14671 2.737 24.503 17.926 1.00 0.00 WAT +ATOM 50324 OH2 TIP3 14672 10.153 23.648 25.707 1.00 0.00 WAT +ATOM 50325 H1 TIP3 14672 10.656 24.176 25.051 1.00 0.00 WAT +ATOM 50326 H2 TIP3 14672 9.304 23.521 25.239 1.00 0.00 WAT +ATOM 50327 OH2 TIP3 14673 7.163 17.216 14.663 1.00 0.00 WAT +ATOM 50328 H1 TIP3 14673 6.181 17.211 14.635 1.00 0.00 WAT +ATOM 50329 H2 TIP3 14673 7.356 17.960 15.265 1.00 0.00 WAT +ATOM 50330 OH2 TIP3 14674 4.580 24.489 28.279 1.00 0.00 WAT +ATOM 50331 H1 TIP3 14674 4.282 24.146 29.132 1.00 0.00 WAT +ATOM 50332 H2 TIP3 14674 4.267 25.406 28.294 1.00 0.00 WAT +ATOM 50333 OH2 TIP3 14675 7.751 19.103 16.772 1.00 0.00 WAT +ATOM 50334 H1 TIP3 14675 8.629 18.941 17.169 1.00 0.00 WAT +ATOM 50335 H2 TIP3 14675 7.871 19.966 16.338 1.00 0.00 WAT +ATOM 50336 OH2 TIP3 14676 -1.910 23.876 22.791 1.00 0.00 WAT +ATOM 50337 H1 TIP3 14676 -1.382 23.765 21.982 1.00 0.00 WAT +ATOM 50338 H2 TIP3 14676 -1.820 23.004 23.204 1.00 0.00 WAT +ATOM 50339 OH2 TIP3 14677 5.327 25.844 15.876 1.00 0.00 WAT +ATOM 50340 H1 TIP3 14677 5.072 26.693 16.289 1.00 0.00 WAT +ATOM 50341 H2 TIP3 14677 4.593 25.271 16.158 1.00 0.00 WAT +ATOM 50342 OH2 TIP3 14678 -4.782 22.182 28.142 1.00 0.00 WAT +ATOM 50343 H1 TIP3 14678 -4.431 21.673 28.899 1.00 0.00 WAT +ATOM 50344 H2 TIP3 14678 -5.224 21.520 27.587 1.00 0.00 WAT +ATOM 50345 OH2 TIP3 14679 2.319 21.700 29.977 1.00 0.00 WAT +ATOM 50346 H1 TIP3 14679 2.008 21.394 29.111 1.00 0.00 WAT +ATOM 50347 H2 TIP3 14679 3.236 21.374 29.960 1.00 0.00 WAT +ATOM 50348 OH2 TIP3 14680 6.848 27.116 27.742 1.00 0.00 WAT +ATOM 50349 H1 TIP3 14680 5.878 27.152 27.688 1.00 0.00 WAT +ATOM 50350 H2 TIP3 14680 7.004 27.320 28.678 1.00 0.00 WAT +ATOM 50351 OH2 TIP3 14681 12.367 19.115 16.534 1.00 0.00 WAT +ATOM 50352 H1 TIP3 14681 11.807 18.896 15.766 1.00 0.00 WAT +ATOM 50353 H2 TIP3 14681 12.468 20.076 16.385 1.00 0.00 WAT +ATOM 50354 OH2 TIP3 14682 12.836 25.201 29.324 1.00 0.00 WAT +ATOM 50355 H1 TIP3 14682 11.893 25.385 29.129 1.00 0.00 WAT +ATOM 50356 H2 TIP3 14682 13.165 24.975 28.428 1.00 0.00 WAT +ATOM 50357 OH2 TIP3 14683 10.577 27.738 16.630 1.00 0.00 WAT +ATOM 50358 H1 TIP3 14683 10.343 26.962 17.163 1.00 0.00 WAT +ATOM 50359 H2 TIP3 14683 11.107 27.355 15.917 1.00 0.00 WAT +ATOM 50360 OH2 TIP3 14684 7.815 23.071 24.003 1.00 0.00 WAT +ATOM 50361 H1 TIP3 14684 6.884 22.905 23.763 1.00 0.00 WAT +ATOM 50362 H2 TIP3 14684 8.257 22.346 23.517 1.00 0.00 WAT +ATOM 50363 OH2 TIP3 14685 0.440 27.147 20.051 1.00 0.00 WAT +ATOM 50364 H1 TIP3 14685 0.871 28.005 19.911 1.00 0.00 WAT +ATOM 50365 H2 TIP3 14685 -0.470 27.335 19.792 1.00 0.00 WAT +ATOM 50366 OH2 TIP3 14686 -3.587 21.991 14.738 1.00 0.00 WAT +ATOM 50367 H1 TIP3 14686 -3.005 22.656 15.149 1.00 0.00 WAT +ATOM 50368 H2 TIP3 14686 -4.455 22.226 15.124 1.00 0.00 WAT +ATOM 50369 OH2 TIP3 14687 2.288 24.842 19.684 1.00 0.00 WAT +ATOM 50370 H1 TIP3 14687 1.961 25.746 19.812 1.00 0.00 WAT +ATOM 50371 H2 TIP3 14687 1.582 24.324 20.098 1.00 0.00 WAT +ATOM 50372 OH2 TIP3 14688 2.442 29.106 26.026 1.00 0.00 WAT +ATOM 50373 H1 TIP3 14688 3.016 29.837 25.741 1.00 0.00 WAT +ATOM 50374 H2 TIP3 14688 3.056 28.590 26.575 1.00 0.00 WAT +ATOM 50375 OH2 TIP3 14689 0.890 30.050 19.271 1.00 0.00 WAT +ATOM 50376 H1 TIP3 14689 -0.068 30.193 19.338 1.00 0.00 WAT +ATOM 50377 H2 TIP3 14689 1.237 30.933 19.493 1.00 0.00 WAT +ATOM 50378 OH2 TIP3 14690 5.865 24.860 25.594 1.00 0.00 WAT +ATOM 50379 H1 TIP3 14690 5.572 24.557 26.472 1.00 0.00 WAT +ATOM 50380 H2 TIP3 14690 6.587 24.238 25.400 1.00 0.00 WAT +ATOM 50381 OH2 TIP3 14691 8.030 26.187 14.524 1.00 0.00 WAT +ATOM 50382 H1 TIP3 14691 8.448 25.697 15.257 1.00 0.00 WAT +ATOM 50383 H2 TIP3 14691 7.099 26.012 14.745 1.00 0.00 WAT +ATOM 50384 OH2 TIP3 14692 8.796 29.423 27.992 1.00 0.00 WAT +ATOM 50385 H1 TIP3 14692 8.047 28.946 27.582 1.00 0.00 WAT +ATOM 50386 H2 TIP3 14692 8.889 30.202 27.415 1.00 0.00 WAT +ATOM 50387 OH2 TIP3 14693 12.764 30.417 15.049 1.00 0.00 WAT +ATOM 50388 H1 TIP3 14693 13.460 31.058 14.830 1.00 0.00 WAT +ATOM 50389 H2 TIP3 14693 11.993 31.012 15.037 1.00 0.00 WAT +ATOM 50390 OH2 TIP3 14694 -3.787 16.932 27.697 1.00 0.00 WAT +ATOM 50391 H1 TIP3 14694 -4.370 16.709 26.961 1.00 0.00 WAT +ATOM 50392 H2 TIP3 14694 -3.595 16.054 28.069 1.00 0.00 WAT +ATOM 50393 OH2 TIP3 14695 8.997 24.770 16.886 1.00 0.00 WAT +ATOM 50394 H1 TIP3 14695 8.716 24.043 17.470 1.00 0.00 WAT +ATOM 50395 H2 TIP3 14695 9.966 24.730 16.977 1.00 0.00 WAT +ATOM 50396 OH2 TIP3 14696 -3.600 28.552 26.069 1.00 0.00 WAT +ATOM 50397 H1 TIP3 14696 -3.300 27.640 26.201 1.00 0.00 WAT +ATOM 50398 H2 TIP3 14696 -3.350 28.939 26.917 1.00 0.00 WAT +ATOM 50399 OH2 TIP3 14697 2.264 27.214 13.090 1.00 0.00 WAT +ATOM 50400 H1 TIP3 14697 2.540 26.425 12.587 1.00 0.00 WAT +ATOM 50401 H2 TIP3 14697 1.843 26.802 13.865 1.00 0.00 WAT +ATOM 50402 OH2 TIP3 14698 1.097 26.717 15.793 1.00 0.00 WAT +ATOM 50403 H1 TIP3 14698 1.619 26.168 16.399 1.00 0.00 WAT +ATOM 50404 H2 TIP3 14698 1.262 27.622 16.131 1.00 0.00 WAT +ATOM 50405 OH2 TIP3 14699 -2.061 24.199 16.211 1.00 0.00 WAT +ATOM 50406 H1 TIP3 14699 -2.802 24.560 16.738 1.00 0.00 WAT +ATOM 50407 H2 TIP3 14699 -1.604 25.014 15.947 1.00 0.00 WAT +ATOM 50408 OH2 TIP3 14700 5.591 16.644 26.225 1.00 0.00 WAT +ATOM 50409 H1 TIP3 14700 6.221 16.852 26.930 1.00 0.00 WAT +ATOM 50410 H2 TIP3 14700 5.114 15.867 26.581 1.00 0.00 WAT +ATOM 50411 OH2 TIP3 14701 6.270 16.052 17.461 1.00 0.00 WAT +ATOM 50412 H1 TIP3 14701 6.433 16.581 16.666 1.00 0.00 WAT +ATOM 50413 H2 TIP3 14701 6.732 16.564 18.145 1.00 0.00 WAT +ATOM 50414 OH2 TIP3 14702 4.078 28.388 16.443 1.00 0.00 WAT +ATOM 50415 H1 TIP3 14702 3.230 28.843 16.574 1.00 0.00 WAT +ATOM 50416 H2 TIP3 14702 4.406 28.801 15.632 1.00 0.00 WAT +ATOM 50417 OH2 TIP3 14703 3.667 18.054 18.415 1.00 0.00 WAT +ATOM 50418 H1 TIP3 14703 4.430 18.653 18.554 1.00 0.00 WAT +ATOM 50419 H2 TIP3 14703 3.380 17.888 19.333 1.00 0.00 WAT +ATOM 50420 OH2 TIP3 14704 4.004 18.971 27.592 1.00 0.00 WAT +ATOM 50421 H1 TIP3 14704 4.113 19.490 28.406 1.00 0.00 WAT +ATOM 50422 H2 TIP3 14704 4.518 18.178 27.801 1.00 0.00 WAT +ATOM 50423 OH2 TIP3 14705 4.261 15.091 19.345 1.00 0.00 WAT +ATOM 50424 H1 TIP3 14705 4.074 15.776 20.013 1.00 0.00 WAT +ATOM 50425 H2 TIP3 14705 4.999 15.499 18.849 1.00 0.00 WAT +ATOM 50426 OH2 TIP3 14706 1.266 29.420 16.424 1.00 0.00 WAT +ATOM 50427 H1 TIP3 14706 1.189 30.230 15.878 1.00 0.00 WAT +ATOM 50428 H2 TIP3 14706 1.130 29.766 17.324 1.00 0.00 WAT +ATOM 50429 OH2 TIP3 14707 -0.004 16.084 15.885 1.00 0.00 WAT +ATOM 50430 H1 TIP3 14707 -0.027 16.833 16.499 1.00 0.00 WAT +ATOM 50431 H2 TIP3 14707 0.802 15.615 16.175 1.00 0.00 WAT +ATOM 50432 OH2 TIP3 14708 10.307 16.999 28.460 1.00 0.00 WAT +ATOM 50433 H1 TIP3 14708 9.343 17.105 28.328 1.00 0.00 WAT +ATOM 50434 H2 TIP3 14708 10.543 16.751 27.553 1.00 0.00 WAT +ATOM 50435 OH2 TIP3 14709 8.815 20.831 22.490 1.00 0.00 WAT +ATOM 50436 H1 TIP3 14709 7.998 20.374 22.215 1.00 0.00 WAT +ATOM 50437 H2 TIP3 14709 9.301 20.115 22.954 1.00 0.00 WAT +ATOM 50438 OH2 TIP3 14710 -1.620 26.984 14.945 1.00 0.00 WAT +ATOM 50439 H1 TIP3 14710 -0.863 27.443 15.348 1.00 0.00 WAT +ATOM 50440 H2 TIP3 14710 -1.145 26.466 14.276 1.00 0.00 WAT +ATOM 50441 OH2 TIP3 14711 -3.489 19.158 13.906 1.00 0.00 WAT +ATOM 50442 H1 TIP3 14711 -3.370 20.045 14.285 1.00 0.00 WAT +ATOM 50443 H2 TIP3 14711 -4.445 19.081 13.840 1.00 0.00 WAT +ATOM 50444 OH2 TIP3 14712 9.822 29.695 23.873 1.00 0.00 WAT +ATOM 50445 H1 TIP3 14712 9.674 30.517 23.370 1.00 0.00 WAT +ATOM 50446 H2 TIP3 14712 10.751 29.806 24.126 1.00 0.00 WAT +ATOM 50447 OH2 TIP3 14713 -2.637 14.215 22.840 1.00 0.00 WAT +ATOM 50448 H1 TIP3 14713 -2.732 14.133 21.866 1.00 0.00 WAT +ATOM 50449 H2 TIP3 14713 -2.876 13.320 23.139 1.00 0.00 WAT +ATOM 50450 OH2 TIP3 14714 -3.643 27.674 19.142 1.00 0.00 WAT +ATOM 50451 H1 TIP3 14714 -4.448 28.162 19.355 1.00 0.00 WAT +ATOM 50452 H2 TIP3 14714 -3.295 28.182 18.393 1.00 0.00 WAT +ATOM 50453 OH2 TIP3 14715 -4.265 30.590 30.284 1.00 0.00 WAT +ATOM 50454 H1 TIP3 14715 -3.672 30.308 31.007 1.00 0.00 WAT +ATOM 50455 H2 TIP3 14715 -4.641 29.732 30.000 1.00 0.00 WAT +ATOM 50456 OH2 TIP3 14716 0.416 29.650 32.067 1.00 0.00 WAT +ATOM 50457 H1 TIP3 14716 1.121 29.020 32.283 1.00 0.00 WAT +ATOM 50458 H2 TIP3 14716 0.205 29.382 31.156 1.00 0.00 WAT +ATOM 50459 OH2 TIP3 14717 4.484 28.898 13.597 1.00 0.00 WAT +ATOM 50460 H1 TIP3 14717 3.729 28.279 13.480 1.00 0.00 WAT +ATOM 50461 H2 TIP3 14717 5.200 28.358 13.222 1.00 0.00 WAT +ATOM 50462 OH2 TIP3 14718 6.901 27.931 30.657 1.00 0.00 WAT +ATOM 50463 H1 TIP3 14718 6.523 27.109 31.017 1.00 0.00 WAT +ATOM 50464 H2 TIP3 14718 7.604 28.135 31.298 1.00 0.00 WAT +ATOM 50465 OH2 TIP3 14719 9.123 28.828 13.697 1.00 0.00 WAT +ATOM 50466 H1 TIP3 14719 9.237 28.001 14.197 1.00 0.00 WAT +ATOM 50467 H2 TIP3 14719 9.919 28.834 13.136 1.00 0.00 WAT +ATOM 50468 OH2 TIP3 14720 -4.318 24.233 31.415 1.00 0.00 WAT +ATOM 50469 H1 TIP3 14720 -4.182 23.330 31.085 1.00 0.00 WAT +ATOM 50470 H2 TIP3 14720 -5.066 24.523 30.857 1.00 0.00 WAT +ATOM 50471 OH2 TIP3 14721 -0.106 24.628 13.379 1.00 0.00 WAT +ATOM 50472 H1 TIP3 14721 0.049 24.046 14.141 1.00 0.00 WAT +ATOM 50473 H2 TIP3 14721 0.770 24.596 12.946 1.00 0.00 WAT +ATOM 50474 OH2 TIP3 14722 2.318 24.412 30.749 1.00 0.00 WAT +ATOM 50475 H1 TIP3 14722 2.029 24.723 29.876 1.00 0.00 WAT +ATOM 50476 H2 TIP3 14722 2.404 23.444 30.608 1.00 0.00 WAT +ATOM 50477 OH2 TIP3 14723 5.150 25.966 13.037 1.00 0.00 WAT +ATOM 50478 H1 TIP3 14723 5.113 25.904 14.008 1.00 0.00 WAT +ATOM 50479 H2 TIP3 14723 5.112 25.012 12.809 1.00 0.00 WAT +ATOM 50480 OH2 TIP3 14724 7.696 24.025 28.141 1.00 0.00 WAT +ATOM 50481 H1 TIP3 14724 8.481 24.553 27.932 1.00 0.00 WAT +ATOM 50482 H2 TIP3 14724 6.998 24.699 28.111 1.00 0.00 WAT +ATOM 50483 OH2 TIP3 14725 -3.404 21.321 30.545 1.00 0.00 WAT +ATOM 50484 H1 TIP3 14725 -2.636 20.712 30.567 1.00 0.00 WAT +ATOM 50485 H2 TIP3 14725 -3.464 21.537 31.490 1.00 0.00 WAT +ATOM 50486 OH2 TIP3 14726 1.005 22.724 15.761 1.00 0.00 WAT +ATOM 50487 H1 TIP3 14726 0.394 22.202 16.300 1.00 0.00 WAT +ATOM 50488 H2 TIP3 14726 1.313 22.050 15.119 1.00 0.00 WAT +ATOM 50489 OH2 TIP3 14727 0.137 20.503 27.890 1.00 0.00 WAT +ATOM 50490 H1 TIP3 14727 -0.289 21.317 28.214 1.00 0.00 WAT +ATOM 50491 H2 TIP3 14727 0.889 20.861 27.384 1.00 0.00 WAT +ATOM 50492 OH2 TIP3 14728 1.962 20.732 14.033 1.00 0.00 WAT +ATOM 50493 H1 TIP3 14728 1.937 20.820 13.062 1.00 0.00 WAT +ATOM 50494 H2 TIP3 14728 2.923 20.675 14.193 1.00 0.00 WAT +ATOM 50495 OH2 TIP3 14729 5.545 23.215 31.599 1.00 0.00 WAT +ATOM 50496 H1 TIP3 14729 6.428 23.000 31.261 1.00 0.00 WAT +ATOM 50497 H2 TIP3 14729 5.262 22.359 31.950 1.00 0.00 WAT +ATOM 50498 OH2 TIP3 14730 11.461 23.221 13.297 1.00 0.00 WAT +ATOM 50499 H1 TIP3 14730 11.292 22.837 12.417 1.00 0.00 WAT +ATOM 50500 H2 TIP3 14730 11.370 24.173 13.086 1.00 0.00 WAT +ATOM 50501 OH2 TIP3 14731 0.595 17.751 29.124 1.00 0.00 WAT +ATOM 50502 H1 TIP3 14731 0.903 17.049 28.520 1.00 0.00 WAT +ATOM 50503 H2 TIP3 14731 0.658 18.541 28.565 1.00 0.00 WAT +ATOM 50504 OH2 TIP3 14732 1.154 16.238 26.618 1.00 0.00 WAT +ATOM 50505 H1 TIP3 14732 1.728 16.662 25.954 1.00 0.00 WAT +ATOM 50506 H2 TIP3 14732 0.272 16.262 26.211 1.00 0.00 WAT +ATOM 50507 OH2 TIP3 14733 2.658 21.683 26.997 1.00 0.00 WAT +ATOM 50508 H1 TIP3 14733 3.507 21.578 26.542 1.00 0.00 WAT +ATOM 50509 H2 TIP3 14733 2.386 22.570 26.687 1.00 0.00 WAT +ATOM 50510 OH2 TIP3 14734 7.296 19.640 31.822 1.00 0.00 WAT +ATOM 50511 H1 TIP3 14734 7.467 18.688 31.880 1.00 0.00 WAT +ATOM 50512 H2 TIP3 14734 8.196 19.992 31.743 1.00 0.00 WAT +ATOM 50513 OH2 TIP3 14735 8.228 22.423 30.288 1.00 0.00 WAT +ATOM 50514 H1 TIP3 14735 7.890 23.025 29.592 1.00 0.00 WAT +ATOM 50515 H2 TIP3 14735 9.120 22.247 29.928 1.00 0.00 WAT +ATOM 50516 OH2 TIP3 14736 -1.084 19.575 30.859 1.00 0.00 WAT +ATOM 50517 H1 TIP3 14736 -1.617 18.768 30.960 1.00 0.00 WAT +ATOM 50518 H2 TIP3 14736 -0.254 19.205 30.515 1.00 0.00 WAT +ATOM 50519 OH2 TIP3 14737 1.904 13.388 26.955 1.00 0.00 WAT +ATOM 50520 H1 TIP3 14737 1.672 14.296 27.203 1.00 0.00 WAT +ATOM 50521 H2 TIP3 14737 1.105 13.079 26.500 1.00 0.00 WAT +ATOM 50522 OH2 TIP3 14738 3.073 18.386 30.795 1.00 0.00 WAT +ATOM 50523 H1 TIP3 14738 2.940 17.919 31.637 1.00 0.00 WAT +ATOM 50524 H2 TIP3 14738 2.429 17.906 30.246 1.00 0.00 WAT +ATOM 50525 OH2 TIP3 14739 5.597 17.221 29.697 1.00 0.00 WAT +ATOM 50526 H1 TIP3 14739 4.686 17.096 30.016 1.00 0.00 WAT +ATOM 50527 H2 TIP3 14739 6.060 16.540 30.217 1.00 0.00 WAT +ATOM 50528 OH2 TIP3 14740 7.579 15.691 31.338 1.00 0.00 WAT +ATOM 50529 H1 TIP3 14740 7.342 14.747 31.434 1.00 0.00 WAT +ATOM 50530 H2 TIP3 14740 7.274 16.079 32.177 1.00 0.00 WAT +ATOM 50531 OH2 TIP3 14741 -2.817 17.183 30.784 1.00 0.00 WAT +ATOM 50532 H1 TIP3 14741 -2.524 16.499 30.173 1.00 0.00 WAT +ATOM 50533 H2 TIP3 14741 -2.751 16.737 31.648 1.00 0.00 WAT +ATOM 50534 OH2 TIP3 14742 1.714 31.983 15.118 1.00 0.00 WAT +ATOM 50535 H1 TIP3 14742 2.674 32.069 15.212 1.00 0.00 WAT +ATOM 50536 H2 TIP3 14742 1.576 32.409 14.263 1.00 0.00 WAT +ATOM 50537 OH2 TIP3 14743 -4.387 26.389 14.635 1.00 0.00 WAT +ATOM 50538 H1 TIP3 14743 -3.434 26.561 14.795 1.00 0.00 WAT +ATOM 50539 H2 TIP3 14743 -4.354 25.594 14.067 1.00 0.00 WAT +ATOM 50540 OH2 TIP3 14744 -5.399 31.574 19.388 1.00 0.00 WAT +ATOM 50541 H1 TIP3 14744 -6.097 31.183 18.826 1.00 0.00 WAT +ATOM 50542 H2 TIP3 14744 -5.280 30.874 20.062 1.00 0.00 WAT +ATOM 50543 OH2 TIP3 14745 -4.997 29.587 21.366 1.00 0.00 WAT +ATOM 50544 H1 TIP3 14745 -5.279 28.705 21.662 1.00 0.00 WAT +ATOM 50545 H2 TIP3 14745 -4.628 29.918 22.198 1.00 0.00 WAT +ATOM 50546 OH2 TIP3 14746 12.552 30.912 24.379 1.00 0.00 WAT +ATOM 50547 H1 TIP3 14746 12.729 30.800 25.325 1.00 0.00 WAT +ATOM 50548 H2 TIP3 14746 13.433 31.116 24.037 1.00 0.00 WAT +ATOM 50549 OH2 TIP3 14747 12.456 30.295 27.251 1.00 0.00 WAT +ATOM 50550 H1 TIP3 14747 11.934 29.548 26.899 1.00 0.00 WAT +ATOM 50551 H2 TIP3 14747 13.019 29.820 27.882 1.00 0.00 WAT +ATOM 50552 OH2 TIP3 14748 10.453 25.728 31.530 1.00 0.00 WAT +ATOM 50553 H1 TIP3 14748 9.572 25.786 31.937 1.00 0.00 WAT +ATOM 50554 H2 TIP3 14748 10.903 26.523 31.859 1.00 0.00 WAT +ATOM 50555 OH2 TIP3 14749 11.852 24.633 17.281 1.00 0.00 WAT +ATOM 50556 H1 TIP3 14749 12.763 24.939 17.445 1.00 0.00 WAT +ATOM 50557 H2 TIP3 14749 11.763 23.983 18.004 1.00 0.00 WAT +ATOM 50558 OH2 TIP3 14750 12.286 22.617 19.252 1.00 0.00 WAT +ATOM 50559 H1 TIP3 14750 11.640 22.021 19.677 1.00 0.00 WAT +ATOM 50560 H2 TIP3 14750 12.998 22.690 19.920 1.00 0.00 WAT +ATOM 50561 OH2 TIP3 14751 12.033 25.084 24.225 1.00 0.00 WAT +ATOM 50562 H1 TIP3 14751 12.651 24.571 23.679 1.00 0.00 WAT +ATOM 50563 H2 TIP3 14751 12.188 25.990 23.911 1.00 0.00 WAT +ATOM 50564 OH2 TIP3 14752 10.762 28.028 26.458 1.00 0.00 WAT +ATOM 50565 H1 TIP3 14752 10.019 28.381 26.977 1.00 0.00 WAT +ATOM 50566 H2 TIP3 14752 10.304 27.629 25.691 1.00 0.00 WAT +ATOM 50567 OH2 TIP3 14753 12.572 22.023 15.825 1.00 0.00 WAT +ATOM 50568 H1 TIP3 14753 12.064 22.305 15.040 1.00 0.00 WAT +ATOM 50569 H2 TIP3 14753 12.434 22.776 16.420 1.00 0.00 WAT +ATOM 50570 OH2 TIP3 14754 10.816 19.542 14.051 1.00 0.00 WAT +ATOM 50571 H1 TIP3 14754 11.131 20.123 13.344 1.00 0.00 WAT +ATOM 50572 H2 TIP3 14754 10.597 18.725 13.566 1.00 0.00 WAT +ATOM 50573 OH2 TIP3 14755 10.231 20.716 20.061 1.00 0.00 WAT +ATOM 50574 H1 TIP3 14755 10.181 19.759 19.904 1.00 0.00 WAT +ATOM 50575 H2 TIP3 14755 9.858 20.800 20.961 1.00 0.00 WAT +ATOM 50576 OH2 TIP3 14756 -4.909 22.909 23.761 1.00 0.00 WAT +ATOM 50577 H1 TIP3 14756 -4.666 22.970 22.819 1.00 0.00 WAT +ATOM 50578 H2 TIP3 14756 -4.033 22.708 24.152 1.00 0.00 WAT +ATOM 50579 OH2 TIP3 14757 10.847 22.650 29.219 1.00 0.00 WAT +ATOM 50580 H1 TIP3 14757 11.576 22.018 29.362 1.00 0.00 WAT +ATOM 50581 H2 TIP3 14757 11.319 23.468 29.018 1.00 0.00 WAT +ATOM 50582 OH2 TIP3 14758 12.394 20.741 30.459 1.00 0.00 WAT +ATOM 50583 H1 TIP3 14758 11.611 20.207 30.206 1.00 0.00 WAT +ATOM 50584 H2 TIP3 14758 13.107 20.076 30.405 1.00 0.00 WAT +ATOM 50585 OH2 TIP3 14759 10.366 16.851 13.164 1.00 0.00 WAT +ATOM 50586 H1 TIP3 14759 10.881 16.414 13.865 1.00 0.00 WAT +ATOM 50587 H2 TIP3 14759 9.535 16.355 13.158 1.00 0.00 WAT +ATOM 50588 OH2 TIP3 14760 10.103 18.208 18.246 1.00 0.00 WAT +ATOM 50589 H1 TIP3 14760 10.341 17.256 18.295 1.00 0.00 WAT +ATOM 50590 H2 TIP3 14760 10.913 18.565 17.841 1.00 0.00 WAT +ATOM 50591 OH2 TIP3 14761 10.348 18.836 23.678 1.00 0.00 WAT +ATOM 50592 H1 TIP3 14761 11.323 18.923 23.655 1.00 0.00 WAT +ATOM 50593 H2 TIP3 14761 10.203 18.833 24.640 1.00 0.00 WAT +ATOM 50594 OH2 TIP3 14762 10.513 19.514 26.508 1.00 0.00 WAT +ATOM 50595 H1 TIP3 14762 9.656 19.900 26.767 1.00 0.00 WAT +ATOM 50596 H2 TIP3 14762 11.035 20.307 26.285 1.00 0.00 WAT +ATOM 50597 OH2 TIP3 14763 13.079 13.676 31.796 1.00 0.00 WAT +ATOM 50598 H1 TIP3 14763 13.481 12.977 31.246 1.00 0.00 WAT +ATOM 50599 H2 TIP3 14763 13.100 14.444 31.193 1.00 0.00 WAT +ATOM 50600 OH2 TIP3 14764 10.594 15.423 18.215 1.00 0.00 WAT +ATOM 50601 H1 TIP3 14764 10.676 15.065 19.117 1.00 0.00 WAT +ATOM 50602 H2 TIP3 14764 9.840 14.902 17.871 1.00 0.00 WAT +ATOM 50603 OH2 TIP3 14765 -4.256 16.601 23.059 1.00 0.00 WAT +ATOM 50604 H1 TIP3 14765 -3.783 15.749 23.005 1.00 0.00 WAT +ATOM 50605 H2 TIP3 14765 -3.521 17.202 23.287 1.00 0.00 WAT +ATOM 50606 OH2 TIP3 14766 -5.652 19.260 24.119 1.00 0.00 WAT +ATOM 50607 H1 TIP3 14766 -5.111 19.182 23.314 1.00 0.00 WAT +ATOM 50608 H2 TIP3 14766 -5.306 20.088 24.477 1.00 0.00 WAT +ATOM 50609 OH2 TIP3 14767 12.444 15.723 30.035 1.00 0.00 WAT +ATOM 50610 H1 TIP3 14767 11.562 16.136 30.078 1.00 0.00 WAT +ATOM 50611 H2 TIP3 14767 12.326 15.165 29.243 1.00 0.00 WAT +ATOM 50612 OH2 TIP3 14768 12.522 15.993 14.953 1.00 0.00 WAT +ATOM 50613 H1 TIP3 14768 12.809 15.175 14.518 1.00 0.00 WAT +ATOM 50614 H2 TIP3 14768 13.363 16.475 15.022 1.00 0.00 WAT +ATOM 50615 OH2 TIP3 14769 -5.167 15.672 18.174 1.00 0.00 WAT +ATOM 50616 H1 TIP3 14769 -6.062 15.525 17.829 1.00 0.00 WAT +ATOM 50617 H2 TIP3 14769 -4.693 15.996 17.385 1.00 0.00 WAT +ATOM 50618 OH2 TIP3 14770 9.436 30.942 20.178 1.00 0.00 WAT +ATOM 50619 H1 TIP3 14770 9.887 30.649 19.367 1.00 0.00 WAT +ATOM 50620 H2 TIP3 14770 10.178 31.244 20.713 1.00 0.00 WAT +ATOM 50621 OH2 TIP3 14771 -5.163 14.723 26.358 1.00 0.00 WAT +ATOM 50622 H1 TIP3 14771 -5.765 14.038 26.666 1.00 0.00 WAT +ATOM 50623 H2 TIP3 14771 -5.637 15.067 25.573 1.00 0.00 WAT +ATOM 50624 OH2 TIP3 14772 -3.153 27.615 30.901 1.00 0.00 WAT +ATOM 50625 H1 TIP3 14772 -3.878 27.571 30.260 1.00 0.00 WAT +ATOM 50626 H2 TIP3 14772 -3.617 27.566 31.747 1.00 0.00 WAT +ATOM 50627 OH2 TIP3 14773 -0.322 28.592 26.574 1.00 0.00 WAT +ATOM 50628 H1 TIP3 14773 -0.614 29.447 26.216 1.00 0.00 WAT +ATOM 50629 H2 TIP3 14773 0.639 28.666 26.405 1.00 0.00 WAT +ATOM 50630 OH2 TIP3 14774 4.185 29.910 29.592 1.00 0.00 WAT +ATOM 50631 H1 TIP3 14774 4.340 29.719 30.531 1.00 0.00 WAT +ATOM 50632 H2 TIP3 14774 5.028 30.337 29.337 1.00 0.00 WAT +ATOM 50633 OH2 TIP3 14775 6.488 31.364 28.816 1.00 0.00 WAT +ATOM 50634 H1 TIP3 14775 7.168 30.711 28.588 1.00 0.00 WAT +ATOM 50635 H2 TIP3 14775 6.790 31.651 29.700 1.00 0.00 WAT +ATOM 50636 OH2 TIP3 14776 11.326 13.953 28.012 1.00 0.00 WAT +ATOM 50637 H1 TIP3 14776 10.510 14.136 27.513 1.00 0.00 WAT +ATOM 50638 H2 TIP3 14776 11.537 13.051 27.691 1.00 0.00 WAT +ATOM 50639 OH2 TIP3 14777 -2.936 31.550 26.904 1.00 0.00 WAT +ATOM 50640 H1 TIP3 14777 -3.537 32.176 26.463 1.00 0.00 WAT +ATOM 50641 H2 TIP3 14777 -3.277 31.579 27.806 1.00 0.00 WAT +ATOM 50642 OH2 TIP3 14778 -0.442 31.324 25.467 1.00 0.00 WAT +ATOM 50643 H1 TIP3 14778 -1.302 31.494 25.899 1.00 0.00 WAT +ATOM 50644 H2 TIP3 14778 -0.423 32.001 24.769 1.00 0.00 WAT +ATOM 50645 OH2 TIP3 14779 4.294 31.306 25.018 1.00 0.00 WAT +ATOM 50646 H1 TIP3 14779 3.920 31.753 24.239 1.00 0.00 WAT +ATOM 50647 H2 TIP3 14779 4.383 32.046 25.647 1.00 0.00 WAT +ATOM 50648 OH2 TIP3 14780 6.635 30.033 25.943 1.00 0.00 WAT +ATOM 50649 H1 TIP3 14780 5.790 30.379 25.599 1.00 0.00 WAT +ATOM 50650 H2 TIP3 14780 7.195 30.821 25.916 1.00 0.00 WAT +ATOM 50651 OH2 TIP3 14781 9.170 31.761 26.131 1.00 0.00 WAT +ATOM 50652 H1 TIP3 14781 9.126 32.706 25.892 1.00 0.00 WAT +ATOM 50653 H2 TIP3 14781 9.447 31.373 25.283 1.00 0.00 WAT +ATOM 50654 OH2 TIP3 14782 -3.360 30.340 23.854 1.00 0.00 WAT +ATOM 50655 H1 TIP3 14782 -3.376 29.841 24.700 1.00 0.00 WAT +ATOM 50656 H2 TIP3 14782 -2.608 29.899 23.406 1.00 0.00 WAT +ATOM 50657 OH2 TIP3 14783 -1.348 29.104 22.307 1.00 0.00 WAT +ATOM 50658 H1 TIP3 14783 -1.495 28.165 22.544 1.00 0.00 WAT +ATOM 50659 H2 TIP3 14783 -0.426 29.238 22.599 1.00 0.00 WAT +ATOM 50660 OH2 TIP3 14784 1.419 29.558 23.177 1.00 0.00 WAT +ATOM 50661 H1 TIP3 14784 1.612 28.632 22.944 1.00 0.00 WAT +ATOM 50662 H2 TIP3 14784 1.491 29.512 24.144 1.00 0.00 WAT +ATOM 50663 OH2 TIP3 14785 4.731 15.455 22.464 1.00 0.00 WAT +ATOM 50664 H1 TIP3 14785 4.052 14.771 22.629 1.00 0.00 WAT +ATOM 50665 H2 TIP3 14785 5.340 14.983 21.875 1.00 0.00 WAT +ATOM 50666 OH2 TIP3 14786 9.696 13.480 22.941 1.00 0.00 WAT +ATOM 50667 H1 TIP3 14786 10.457 13.897 22.501 1.00 0.00 WAT +ATOM 50668 H2 TIP3 14786 8.951 13.751 22.378 1.00 0.00 WAT +ATOM 50669 OH2 TIP3 14787 11.783 14.572 20.848 1.00 0.00 WAT +ATOM 50670 H1 TIP3 14787 12.448 14.106 20.303 1.00 0.00 WAT +ATOM 50671 H2 TIP3 14787 12.130 15.483 20.868 1.00 0.00 WAT +ATOM 50672 OH2 TIP3 14788 -2.942 13.943 20.056 1.00 0.00 WAT +ATOM 50673 H1 TIP3 14788 -3.769 13.922 19.537 1.00 0.00 WAT +ATOM 50674 H2 TIP3 14788 -2.554 13.081 19.812 1.00 0.00 WAT +ATOM 50675 OH2 TIP3 14789 1.555 14.021 19.917 1.00 0.00 WAT +ATOM 50676 H1 TIP3 14789 2.484 14.258 19.755 1.00 0.00 WAT +ATOM 50677 H2 TIP3 14789 1.570 13.867 20.869 1.00 0.00 WAT +ATOM 50678 OH2 TIP3 14790 7.181 14.012 21.339 1.00 0.00 WAT +ATOM 50679 H1 TIP3 14790 7.416 13.844 20.416 1.00 0.00 WAT +ATOM 50680 H2 TIP3 14790 6.770 13.163 21.594 1.00 0.00 WAT +ATOM 50681 OH2 TIP3 14791 8.295 13.949 17.222 1.00 0.00 WAT +ATOM 50682 H1 TIP3 14791 7.482 14.467 17.090 1.00 0.00 WAT +ATOM 50683 H2 TIP3 14791 7.926 13.071 17.442 1.00 0.00 WAT +ATOM 50684 OH2 TIP3 14792 -3.908 29.608 17.089 1.00 0.00 WAT +ATOM 50685 H1 TIP3 14792 -4.542 29.466 16.370 1.00 0.00 WAT +ATOM 50686 H2 TIP3 14792 -3.928 30.573 17.150 1.00 0.00 WAT +ATOM 50687 OH2 TIP3 14793 -2.392 15.741 14.138 1.00 0.00 WAT +ATOM 50688 H1 TIP3 14793 -2.033 14.892 13.831 1.00 0.00 WAT +ATOM 50689 H2 TIP3 14793 -1.931 15.825 14.990 1.00 0.00 WAT +ATOM 50690 OH2 TIP3 14794 2.699 15.626 16.964 1.00 0.00 WAT +ATOM 50691 H1 TIP3 14794 3.048 15.050 17.661 1.00 0.00 WAT +ATOM 50692 H2 TIP3 14794 2.909 16.494 17.342 1.00 0.00 WAT +ATOM 50693 OH2 TIP3 14795 4.765 31.444 15.194 1.00 0.00 WAT +ATOM 50694 H1 TIP3 14795 5.739 31.441 15.150 1.00 0.00 WAT +ATOM 50695 H2 TIP3 14795 4.562 30.776 14.518 1.00 0.00 WAT +ATOM 50696 OH2 TIP3 14796 11.251 30.465 17.783 1.00 0.00 WAT +ATOM 50697 H1 TIP3 14796 11.037 29.609 17.355 1.00 0.00 WAT +ATOM 50698 H2 TIP3 14796 11.247 31.061 17.018 1.00 0.00 WAT +ATOM 50699 OH2 TIP3 14797 -3.156 14.339 29.530 1.00 0.00 WAT +ATOM 50700 H1 TIP3 14797 -3.451 13.494 29.915 1.00 0.00 WAT +ATOM 50701 H2 TIP3 14797 -2.222 14.327 29.817 1.00 0.00 WAT +ATOM 50702 OH2 TIP3 14798 -0.852 13.758 31.223 1.00 0.00 WAT +ATOM 50703 H1 TIP3 14798 0.109 13.741 31.043 1.00 0.00 WAT +ATOM 50704 H2 TIP3 14798 -0.967 12.900 31.660 1.00 0.00 WAT +ATOM 50705 OH2 TIP3 14799 -2.475 30.558 13.871 1.00 0.00 WAT +ATOM 50706 H1 TIP3 14799 -2.709 30.816 14.774 1.00 0.00 WAT +ATOM 50707 H2 TIP3 14799 -1.705 29.980 14.011 1.00 0.00 WAT +ATOM 50708 OH2 TIP3 14800 7.395 12.891 31.475 1.00 0.00 WAT +ATOM 50709 H1 TIP3 14800 7.461 12.489 32.361 1.00 0.00 WAT +ATOM 50710 H2 TIP3 14800 8.325 12.869 31.183 1.00 0.00 WAT +ATOM 50711 OH2 TIP3 14801 10.774 29.234 30.160 1.00 0.00 WAT +ATOM 50712 H1 TIP3 14801 10.040 29.023 29.554 1.00 0.00 WAT +ATOM 50713 H2 TIP3 14801 10.580 30.169 30.361 1.00 0.00 WAT +ATOM 50714 OH2 TIP3 14802 24.997 22.908 20.253 1.00 0.00 WAT +ATOM 50715 H1 TIP3 14802 24.951 23.862 20.425 1.00 0.00 WAT +ATOM 50716 H2 TIP3 14802 24.190 22.768 19.737 1.00 0.00 WAT +ATOM 50717 OH2 TIP3 14803 23.947 22.286 23.367 1.00 0.00 WAT +ATOM 50718 H1 TIP3 14803 23.666 21.909 24.215 1.00 0.00 WAT +ATOM 50719 H2 TIP3 14803 23.526 21.685 22.735 1.00 0.00 WAT +ATOM 50720 OH2 TIP3 14804 16.311 21.962 25.038 1.00 0.00 WAT +ATOM 50721 H1 TIP3 14804 16.307 21.217 25.667 1.00 0.00 WAT +ATOM 50722 H2 TIP3 14804 17.077 22.463 25.362 1.00 0.00 WAT +ATOM 50723 OH2 TIP3 14805 27.524 25.081 21.689 1.00 0.00 WAT +ATOM 50724 H1 TIP3 14805 27.108 24.374 22.202 1.00 0.00 WAT +ATOM 50725 H2 TIP3 14805 27.754 25.708 22.387 1.00 0.00 WAT +ATOM 50726 OH2 TIP3 14806 16.966 26.568 23.557 1.00 0.00 WAT +ATOM 50727 H1 TIP3 14806 16.721 25.646 23.328 1.00 0.00 WAT +ATOM 50728 H2 TIP3 14806 17.861 26.408 23.897 1.00 0.00 WAT +ATOM 50729 OH2 TIP3 14807 13.948 19.973 18.913 1.00 0.00 WAT +ATOM 50730 H1 TIP3 14807 13.531 20.843 19.002 1.00 0.00 WAT +ATOM 50731 H2 TIP3 14807 13.235 19.453 18.522 1.00 0.00 WAT +ATOM 50732 OH2 TIP3 14808 14.731 22.421 20.758 1.00 0.00 WAT +ATOM 50733 H1 TIP3 14808 14.884 21.601 21.267 1.00 0.00 WAT +ATOM 50734 H2 TIP3 14808 15.588 22.539 20.327 1.00 0.00 WAT +ATOM 50735 OH2 TIP3 14809 24.596 30.459 22.257 1.00 0.00 WAT +ATOM 50736 H1 TIP3 14809 25.158 29.728 21.934 1.00 0.00 WAT +ATOM 50737 H2 TIP3 14809 24.266 30.099 23.090 1.00 0.00 WAT +ATOM 50738 OH2 TIP3 14810 22.319 24.920 23.721 1.00 0.00 WAT +ATOM 50739 H1 TIP3 14810 22.662 24.115 23.311 1.00 0.00 WAT +ATOM 50740 H2 TIP3 14810 22.870 24.956 24.516 1.00 0.00 WAT +ATOM 50741 OH2 TIP3 14811 31.001 16.340 24.607 1.00 0.00 WAT +ATOM 50742 H1 TIP3 14811 31.214 17.000 25.289 1.00 0.00 WAT +ATOM 50743 H2 TIP3 14811 31.558 16.656 23.873 1.00 0.00 WAT +ATOM 50744 OH2 TIP3 14812 25.611 19.203 24.479 1.00 0.00 WAT +ATOM 50745 H1 TIP3 14812 25.700 18.238 24.501 1.00 0.00 WAT +ATOM 50746 H2 TIP3 14812 25.492 19.372 23.532 1.00 0.00 WAT +ATOM 50747 OH2 TIP3 14813 18.600 17.194 21.522 1.00 0.00 WAT +ATOM 50748 H1 TIP3 14813 18.704 18.056 21.073 1.00 0.00 WAT +ATOM 50749 H2 TIP3 14813 18.227 16.669 20.785 1.00 0.00 WAT +ATOM 50750 OH2 TIP3 14814 26.433 17.345 19.839 1.00 0.00 WAT +ATOM 50751 H1 TIP3 14814 27.034 16.939 20.498 1.00 0.00 WAT +ATOM 50752 H2 TIP3 14814 27.063 17.823 19.280 1.00 0.00 WAT +ATOM 50753 OH2 TIP3 14815 15.264 19.935 22.030 1.00 0.00 WAT +ATOM 50754 H1 TIP3 14815 15.890 19.459 22.599 1.00 0.00 WAT +ATOM 50755 H2 TIP3 14815 15.344 19.441 21.195 1.00 0.00 WAT +ATOM 50756 OH2 TIP3 14816 20.632 21.323 21.525 1.00 0.00 WAT +ATOM 50757 H1 TIP3 14816 21.310 20.757 21.941 1.00 0.00 WAT +ATOM 50758 H2 TIP3 14816 20.102 20.664 21.041 1.00 0.00 WAT +ATOM 50759 OH2 TIP3 14817 31.708 17.745 27.066 1.00 0.00 WAT +ATOM 50760 H1 TIP3 14817 31.126 18.467 26.768 1.00 0.00 WAT +ATOM 50761 H2 TIP3 14817 31.489 17.722 28.008 1.00 0.00 WAT +ATOM 50762 OH2 TIP3 14818 17.388 15.986 25.680 1.00 0.00 WAT +ATOM 50763 H1 TIP3 14818 16.982 16.485 24.955 1.00 0.00 WAT +ATOM 50764 H2 TIP3 14818 16.722 16.118 26.384 1.00 0.00 WAT +ATOM 50765 OH2 TIP3 14819 24.927 25.804 19.052 1.00 0.00 WAT +ATOM 50766 H1 TIP3 14819 24.518 25.495 18.240 1.00 0.00 WAT +ATOM 50767 H2 TIP3 14819 24.414 26.607 19.256 1.00 0.00 WAT +ATOM 50768 OH2 TIP3 14820 28.302 16.564 21.897 1.00 0.00 WAT +ATOM 50769 H1 TIP3 14820 27.789 16.074 22.553 1.00 0.00 WAT +ATOM 50770 H2 TIP3 14820 28.764 17.217 22.453 1.00 0.00 WAT +ATOM 50771 OH2 TIP3 14821 16.978 18.026 23.627 1.00 0.00 WAT +ATOM 50772 H1 TIP3 14821 17.609 18.621 24.090 1.00 0.00 WAT +ATOM 50773 H2 TIP3 14821 17.560 17.673 22.919 1.00 0.00 WAT +ATOM 50774 OH2 TIP3 14822 18.408 25.532 26.198 1.00 0.00 WAT +ATOM 50775 H1 TIP3 14822 18.438 26.492 26.123 1.00 0.00 WAT +ATOM 50776 H2 TIP3 14822 17.670 25.382 26.799 1.00 0.00 WAT +ATOM 50777 OH2 TIP3 14823 14.614 25.454 17.412 1.00 0.00 WAT +ATOM 50778 H1 TIP3 14823 14.412 25.957 16.606 1.00 0.00 WAT +ATOM 50779 H2 TIP3 14823 14.781 26.149 18.082 1.00 0.00 WAT +ATOM 50780 OH2 TIP3 14824 28.084 26.909 24.206 1.00 0.00 WAT +ATOM 50781 H1 TIP3 14824 27.107 26.977 24.251 1.00 0.00 WAT +ATOM 50782 H2 TIP3 14824 28.298 27.773 23.812 1.00 0.00 WAT +ATOM 50783 OH2 TIP3 14825 28.404 15.652 25.735 1.00 0.00 WAT +ATOM 50784 H1 TIP3 14825 27.634 16.102 25.339 1.00 0.00 WAT +ATOM 50785 H2 TIP3 14825 29.114 15.900 25.113 1.00 0.00 WAT +ATOM 50786 OH2 TIP3 14826 21.607 13.384 22.962 1.00 0.00 WAT +ATOM 50787 H1 TIP3 14826 21.264 12.479 22.820 1.00 0.00 WAT +ATOM 50788 H2 TIP3 14826 20.785 13.847 23.230 1.00 0.00 WAT +ATOM 50789 OH2 TIP3 14827 26.389 28.818 20.797 1.00 0.00 WAT +ATOM 50790 H1 TIP3 14827 26.854 28.031 20.453 1.00 0.00 WAT +ATOM 50791 H2 TIP3 14827 27.032 29.525 20.611 1.00 0.00 WAT +ATOM 50792 OH2 TIP3 14828 27.837 26.680 19.358 1.00 0.00 WAT +ATOM 50793 H1 TIP3 14828 27.265 26.247 18.707 1.00 0.00 WAT +ATOM 50794 H2 TIP3 14828 27.767 26.054 20.105 1.00 0.00 WAT +ATOM 50795 OH2 TIP3 14829 29.409 25.546 27.862 1.00 0.00 WAT +ATOM 50796 H1 TIP3 14829 29.240 24.865 27.184 1.00 0.00 WAT +ATOM 50797 H2 TIP3 14829 29.483 26.353 27.319 1.00 0.00 WAT +ATOM 50798 OH2 TIP3 14830 23.612 22.419 17.566 1.00 0.00 WAT +ATOM 50799 H1 TIP3 14830 22.941 23.023 17.194 1.00 0.00 WAT +ATOM 50800 H2 TIP3 14830 24.314 22.465 16.896 1.00 0.00 WAT +ATOM 50801 OH2 TIP3 14831 23.897 20.607 14.620 1.00 0.00 WAT +ATOM 50802 H1 TIP3 14831 24.603 20.922 15.213 1.00 0.00 WAT +ATOM 50803 H2 TIP3 14831 24.403 20.036 14.023 1.00 0.00 WAT +ATOM 50804 OH2 TIP3 14832 31.122 21.697 25.798 1.00 0.00 WAT +ATOM 50805 H1 TIP3 14832 30.384 22.335 25.879 1.00 0.00 WAT +ATOM 50806 H2 TIP3 14832 31.587 22.053 25.016 1.00 0.00 WAT +ATOM 50807 OH2 TIP3 14833 27.146 22.424 18.622 1.00 0.00 WAT +ATOM 50808 H1 TIP3 14833 26.443 22.649 19.277 1.00 0.00 WAT +ATOM 50809 H2 TIP3 14833 27.722 21.856 19.164 1.00 0.00 WAT +ATOM 50810 OH2 TIP3 14834 26.973 20.985 27.443 1.00 0.00 WAT +ATOM 50811 H1 TIP3 14834 26.979 21.830 27.921 1.00 0.00 WAT +ATOM 50812 H2 TIP3 14834 26.207 21.172 26.854 1.00 0.00 WAT +ATOM 50813 OH2 TIP3 14835 18.733 23.210 20.385 1.00 0.00 WAT +ATOM 50814 H1 TIP3 14835 18.425 22.740 19.587 1.00 0.00 WAT +ATOM 50815 H2 TIP3 14835 19.353 22.569 20.776 1.00 0.00 WAT +ATOM 50816 OH2 TIP3 14836 20.140 26.699 23.097 1.00 0.00 WAT +ATOM 50817 H1 TIP3 14836 19.985 26.163 22.310 1.00 0.00 WAT +ATOM 50818 H2 TIP3 14836 20.828 26.161 23.542 1.00 0.00 WAT +ATOM 50819 OH2 TIP3 14837 19.339 22.201 24.019 1.00 0.00 WAT +ATOM 50820 H1 TIP3 14837 19.974 22.222 23.285 1.00 0.00 WAT +ATOM 50821 H2 TIP3 14837 19.793 22.720 24.710 1.00 0.00 WAT +ATOM 50822 OH2 TIP3 14838 25.332 27.514 24.487 1.00 0.00 WAT +ATOM 50823 H1 TIP3 14838 25.277 28.138 25.228 1.00 0.00 WAT +ATOM 50824 H2 TIP3 14838 25.011 26.679 24.879 1.00 0.00 WAT +ATOM 50825 OH2 TIP3 14839 20.217 26.416 28.799 1.00 0.00 WAT +ATOM 50826 H1 TIP3 14839 19.566 27.038 29.169 1.00 0.00 WAT +ATOM 50827 H2 TIP3 14839 19.703 25.958 28.109 1.00 0.00 WAT +ATOM 50828 OH2 TIP3 14840 26.087 21.865 16.088 1.00 0.00 WAT +ATOM 50829 H1 TIP3 14840 26.546 22.150 16.907 1.00 0.00 WAT +ATOM 50830 H2 TIP3 14840 26.580 22.386 15.407 1.00 0.00 WAT +ATOM 50831 OH2 TIP3 14841 17.033 22.675 27.874 1.00 0.00 WAT +ATOM 50832 H1 TIP3 14841 17.145 23.261 28.640 1.00 0.00 WAT +ATOM 50833 H2 TIP3 14841 16.069 22.580 27.819 1.00 0.00 WAT +ATOM 50834 OH2 TIP3 14842 23.584 28.485 19.629 1.00 0.00 WAT +ATOM 50835 H1 TIP3 14842 23.972 28.752 20.470 1.00 0.00 WAT +ATOM 50836 H2 TIP3 14842 23.037 29.247 19.386 1.00 0.00 WAT +ATOM 50837 OH2 TIP3 14843 18.216 28.554 29.522 1.00 0.00 WAT +ATOM 50838 H1 TIP3 14843 18.135 28.500 28.552 1.00 0.00 WAT +ATOM 50839 H2 TIP3 14843 17.355 28.215 29.833 1.00 0.00 WAT +ATOM 50840 OH2 TIP3 14844 29.540 13.589 15.619 1.00 0.00 WAT +ATOM 50841 H1 TIP3 14844 28.640 13.694 15.979 1.00 0.00 WAT +ATOM 50842 H2 TIP3 14844 29.867 14.504 15.640 1.00 0.00 WAT +ATOM 50843 OH2 TIP3 14845 17.646 21.929 17.953 1.00 0.00 WAT +ATOM 50844 H1 TIP3 14845 17.432 22.684 17.381 1.00 0.00 WAT +ATOM 50845 H2 TIP3 14845 16.990 21.275 17.677 1.00 0.00 WAT +ATOM 50846 OH2 TIP3 14846 30.900 27.745 14.115 1.00 0.00 WAT +ATOM 50847 H1 TIP3 14846 31.054 28.678 14.363 1.00 0.00 WAT +ATOM 50848 H2 TIP3 14846 31.764 27.340 14.325 1.00 0.00 WAT +ATOM 50849 OH2 TIP3 14847 13.678 24.622 26.685 1.00 0.00 WAT +ATOM 50850 H1 TIP3 14847 13.268 24.598 25.800 1.00 0.00 WAT +ATOM 50851 H2 TIP3 14847 13.859 23.677 26.850 1.00 0.00 WAT +ATOM 50852 OH2 TIP3 14848 13.773 27.570 23.591 1.00 0.00 WAT +ATOM 50853 H1 TIP3 14848 14.675 27.218 23.640 1.00 0.00 WAT +ATOM 50854 H2 TIP3 14848 13.738 28.113 24.391 1.00 0.00 WAT +ATOM 50855 OH2 TIP3 14849 32.085 28.180 29.365 1.00 0.00 WAT +ATOM 50856 H1 TIP3 14849 32.054 27.228 29.153 1.00 0.00 WAT +ATOM 50857 H2 TIP3 14849 31.188 28.322 29.702 1.00 0.00 WAT +ATOM 50858 OH2 TIP3 14850 22.746 27.476 28.075 1.00 0.00 WAT +ATOM 50859 H1 TIP3 14850 22.779 28.244 28.670 1.00 0.00 WAT +ATOM 50860 H2 TIP3 14850 21.899 27.059 28.340 1.00 0.00 WAT +ATOM 50861 OH2 TIP3 14851 23.066 31.200 18.148 1.00 0.00 WAT +ATOM 50862 H1 TIP3 14851 23.076 31.275 17.179 1.00 0.00 WAT +ATOM 50863 H2 TIP3 14851 23.140 32.121 18.441 1.00 0.00 WAT +ATOM 50864 OH2 TIP3 14852 16.877 30.337 19.788 1.00 0.00 WAT +ATOM 50865 H1 TIP3 14852 17.037 29.864 20.631 1.00 0.00 WAT +ATOM 50866 H2 TIP3 14852 16.070 29.901 19.480 1.00 0.00 WAT +ATOM 50867 OH2 TIP3 14853 26.383 30.611 15.324 1.00 0.00 WAT +ATOM 50868 H1 TIP3 14853 26.951 29.951 14.880 1.00 0.00 WAT +ATOM 50869 H2 TIP3 14853 26.321 30.233 16.225 1.00 0.00 WAT +ATOM 50870 OH2 TIP3 14854 25.770 30.044 18.144 1.00 0.00 WAT +ATOM 50871 H1 TIP3 14854 24.811 30.161 18.268 1.00 0.00 WAT +ATOM 50872 H2 TIP3 14854 25.916 29.294 18.746 1.00 0.00 WAT +ATOM 50873 OH2 TIP3 14855 28.958 19.518 29.771 1.00 0.00 WAT +ATOM 50874 H1 TIP3 14855 28.382 19.901 29.092 1.00 0.00 WAT +ATOM 50875 H2 TIP3 14855 28.959 18.577 29.514 1.00 0.00 WAT +ATOM 50876 OH2 TIP3 14856 16.015 26.193 27.883 1.00 0.00 WAT +ATOM 50877 H1 TIP3 14856 16.320 25.695 28.668 1.00 0.00 WAT +ATOM 50878 H2 TIP3 14856 15.298 25.636 27.541 1.00 0.00 WAT +ATOM 50879 OH2 TIP3 14857 19.125 14.614 23.646 1.00 0.00 WAT +ATOM 50880 H1 TIP3 14857 18.293 14.555 23.141 1.00 0.00 WAT +ATOM 50881 H2 TIP3 14857 18.910 15.357 24.231 1.00 0.00 WAT +ATOM 50882 OH2 TIP3 14858 23.474 14.181 27.315 1.00 0.00 WAT +ATOM 50883 H1 TIP3 14858 23.916 13.685 28.022 1.00 0.00 WAT +ATOM 50884 H2 TIP3 14858 22.535 13.929 27.417 1.00 0.00 WAT +ATOM 50885 OH2 TIP3 14859 26.670 18.008 27.886 1.00 0.00 WAT +ATOM 50886 H1 TIP3 14859 26.004 17.847 28.581 1.00 0.00 WAT +ATOM 50887 H2 TIP3 14859 26.518 18.941 27.653 1.00 0.00 WAT +ATOM 50888 OH2 TIP3 14860 27.640 22.953 14.098 1.00 0.00 WAT +ATOM 50889 H1 TIP3 14860 27.426 22.778 13.161 1.00 0.00 WAT +ATOM 50890 H2 TIP3 14860 28.578 23.200 14.032 1.00 0.00 WAT +ATOM 50891 OH2 TIP3 14861 23.271 16.691 14.589 1.00 0.00 WAT +ATOM 50892 H1 TIP3 14861 22.753 16.568 15.398 1.00 0.00 WAT +ATOM 50893 H2 TIP3 14861 22.842 16.041 14.005 1.00 0.00 WAT +ATOM 50894 OH2 TIP3 14862 18.927 19.486 25.012 1.00 0.00 WAT +ATOM 50895 H1 TIP3 14862 18.457 19.588 25.856 1.00 0.00 WAT +ATOM 50896 H2 TIP3 14862 19.058 20.423 24.751 1.00 0.00 WAT +ATOM 50897 OH2 TIP3 14863 18.897 19.495 19.970 1.00 0.00 WAT +ATOM 50898 H1 TIP3 14863 17.938 19.404 19.813 1.00 0.00 WAT +ATOM 50899 H2 TIP3 14863 19.239 19.296 19.077 1.00 0.00 WAT +ATOM 50900 OH2 TIP3 14864 24.491 20.050 18.753 1.00 0.00 WAT +ATOM 50901 H1 TIP3 14864 24.084 20.883 18.428 1.00 0.00 WAT +ATOM 50902 H2 TIP3 14864 25.171 19.901 18.075 1.00 0.00 WAT +ATOM 50903 OH2 TIP3 14865 23.730 20.265 30.126 1.00 0.00 WAT +ATOM 50904 H1 TIP3 14865 23.178 19.531 30.464 1.00 0.00 WAT +ATOM 50905 H2 TIP3 14865 24.591 20.083 30.546 1.00 0.00 WAT +ATOM 50906 OH2 TIP3 14866 25.358 19.444 21.532 1.00 0.00 WAT +ATOM 50907 H1 TIP3 14866 25.053 20.040 20.819 1.00 0.00 WAT +ATOM 50908 H2 TIP3 14866 25.550 18.645 21.002 1.00 0.00 WAT +ATOM 50909 OH2 TIP3 14867 16.228 19.593 26.935 1.00 0.00 WAT +ATOM 50910 H1 TIP3 14867 16.632 19.886 27.760 1.00 0.00 WAT +ATOM 50911 H2 TIP3 14867 15.954 18.686 27.154 1.00 0.00 WAT +ATOM 50912 OH2 TIP3 14868 19.700 17.209 13.515 1.00 0.00 WAT +ATOM 50913 H1 TIP3 14868 19.340 16.817 14.336 1.00 0.00 WAT +ATOM 50914 H2 TIP3 14868 18.911 17.279 12.967 1.00 0.00 WAT +ATOM 50915 OH2 TIP3 14869 13.153 17.109 20.569 1.00 0.00 WAT +ATOM 50916 H1 TIP3 14869 13.764 17.000 21.320 1.00 0.00 WAT +ATOM 50917 H2 TIP3 14869 13.605 16.666 19.830 1.00 0.00 WAT +ATOM 50918 OH2 TIP3 14870 14.773 17.491 16.287 1.00 0.00 WAT +ATOM 50919 H1 TIP3 14870 15.306 17.975 15.628 1.00 0.00 WAT +ATOM 50920 H2 TIP3 14870 14.068 18.132 16.486 1.00 0.00 WAT +ATOM 50921 OH2 TIP3 14871 24.557 21.196 26.145 1.00 0.00 WAT +ATOM 50922 H1 TIP3 14871 24.789 20.440 25.572 1.00 0.00 WAT +ATOM 50923 H2 TIP3 14871 23.802 20.857 26.657 1.00 0.00 WAT +ATOM 50924 OH2 TIP3 14872 21.662 17.038 20.994 1.00 0.00 WAT +ATOM 50925 H1 TIP3 14872 20.707 17.043 21.187 1.00 0.00 WAT +ATOM 50926 H2 TIP3 14872 22.035 16.946 21.885 1.00 0.00 WAT +ATOM 50927 OH2 TIP3 14873 16.242 18.327 19.665 1.00 0.00 WAT +ATOM 50928 H1 TIP3 14873 15.409 18.578 19.226 1.00 0.00 WAT +ATOM 50929 H2 TIP3 14873 16.502 17.513 19.193 1.00 0.00 WAT +ATOM 50930 OH2 TIP3 14874 19.875 18.641 17.355 1.00 0.00 WAT +ATOM 50931 H1 TIP3 14874 20.840 18.747 17.395 1.00 0.00 WAT +ATOM 50932 H2 TIP3 14874 19.602 19.241 16.639 1.00 0.00 WAT +ATOM 50933 OH2 TIP3 14875 26.066 16.182 24.006 1.00 0.00 WAT +ATOM 50934 H1 TIP3 14875 25.442 16.238 24.763 1.00 0.00 WAT +ATOM 50935 H2 TIP3 14875 25.440 15.896 23.314 1.00 0.00 WAT +ATOM 50936 OH2 TIP3 14876 18.314 19.893 15.130 1.00 0.00 WAT +ATOM 50937 H1 TIP3 14876 17.733 19.583 14.419 1.00 0.00 WAT +ATOM 50938 H2 TIP3 14876 19.127 20.088 14.633 1.00 0.00 WAT +ATOM 50939 OH2 TIP3 14877 16.957 24.640 30.100 1.00 0.00 WAT +ATOM 50940 H1 TIP3 14877 17.642 24.703 30.798 1.00 0.00 WAT +ATOM 50941 H2 TIP3 14877 16.156 24.610 30.656 1.00 0.00 WAT +ATOM 50942 OH2 TIP3 14878 22.663 19.618 22.799 1.00 0.00 WAT +ATOM 50943 H1 TIP3 14878 23.425 19.204 22.369 1.00 0.00 WAT +ATOM 50944 H2 TIP3 14878 22.513 19.034 23.568 1.00 0.00 WAT +ATOM 50945 OH2 TIP3 14879 17.939 15.997 19.036 1.00 0.00 WAT +ATOM 50946 H1 TIP3 14879 17.378 15.208 19.134 1.00 0.00 WAT +ATOM 50947 H2 TIP3 14879 18.720 15.637 18.597 1.00 0.00 WAT +ATOM 50948 OH2 TIP3 14880 21.636 18.086 25.062 1.00 0.00 WAT +ATOM 50949 H1 TIP3 14880 20.868 18.680 25.023 1.00 0.00 WAT +ATOM 50950 H2 TIP3 14880 22.105 18.400 25.861 1.00 0.00 WAT +ATOM 50951 OH2 TIP3 14881 21.789 24.479 16.957 1.00 0.00 WAT +ATOM 50952 H1 TIP3 14881 21.031 23.962 16.608 1.00 0.00 WAT +ATOM 50953 H2 TIP3 14881 21.580 24.531 17.920 1.00 0.00 WAT +ATOM 50954 OH2 TIP3 14882 29.034 23.629 25.703 1.00 0.00 WAT +ATOM 50955 H1 TIP3 14882 29.496 24.181 25.037 1.00 0.00 WAT +ATOM 50956 H2 TIP3 14882 28.162 23.505 25.278 1.00 0.00 WAT +ATOM 50957 OH2 TIP3 14883 25.942 17.300 14.753 1.00 0.00 WAT +ATOM 50958 H1 TIP3 14883 24.960 17.278 14.697 1.00 0.00 WAT +ATOM 50959 H2 TIP3 14883 26.117 18.045 15.361 1.00 0.00 WAT +ATOM 50960 OH2 TIP3 14884 23.816 24.724 28.601 1.00 0.00 WAT +ATOM 50961 H1 TIP3 14884 23.217 24.045 28.946 1.00 0.00 WAT +ATOM 50962 H2 TIP3 14884 23.185 25.345 28.212 1.00 0.00 WAT +ATOM 50963 OH2 TIP3 14885 26.628 19.137 16.799 1.00 0.00 WAT +ATOM 50964 H1 TIP3 14885 27.514 18.981 17.176 1.00 0.00 WAT +ATOM 50965 H2 TIP3 14885 26.724 20.014 16.385 1.00 0.00 WAT +ATOM 50966 OH2 TIP3 14886 16.870 23.867 22.757 1.00 0.00 WAT +ATOM 50967 H1 TIP3 14886 17.499 23.773 22.022 1.00 0.00 WAT +ATOM 50968 H2 TIP3 14886 17.050 23.065 23.275 1.00 0.00 WAT +ATOM 50969 OH2 TIP3 14887 24.178 25.841 15.863 1.00 0.00 WAT +ATOM 50970 H1 TIP3 14887 23.935 26.691 16.282 1.00 0.00 WAT +ATOM 50971 H2 TIP3 14887 23.442 25.275 16.158 1.00 0.00 WAT +ATOM 50972 OH2 TIP3 14888 14.132 22.165 28.087 1.00 0.00 WAT +ATOM 50973 H1 TIP3 14888 14.352 21.681 28.908 1.00 0.00 WAT +ATOM 50974 H2 TIP3 14888 13.598 21.524 27.592 1.00 0.00 WAT +ATOM 50975 OH2 TIP3 14889 21.143 21.574 30.066 1.00 0.00 WAT +ATOM 50976 H1 TIP3 14889 20.810 21.662 29.146 1.00 0.00 WAT +ATOM 50977 H2 TIP3 14889 22.077 21.373 29.882 1.00 0.00 WAT +ATOM 50978 OH2 TIP3 14890 25.751 27.297 27.731 1.00 0.00 WAT +ATOM 50979 H1 TIP3 14890 24.806 27.108 27.592 1.00 0.00 WAT +ATOM 50980 H2 TIP3 14890 25.809 27.247 28.694 1.00 0.00 WAT +ATOM 50981 OH2 TIP3 14891 31.219 19.105 16.528 1.00 0.00 WAT +ATOM 50982 H1 TIP3 14891 30.658 18.930 15.745 1.00 0.00 WAT +ATOM 50983 H2 TIP3 14891 31.343 20.067 16.400 1.00 0.00 WAT +ATOM 50984 OH2 TIP3 14892 31.689 25.194 29.341 1.00 0.00 WAT +ATOM 50985 H1 TIP3 14892 30.752 25.376 29.106 1.00 0.00 WAT +ATOM 50986 H2 TIP3 14892 32.050 24.987 28.456 1.00 0.00 WAT +ATOM 50987 OH2 TIP3 14893 29.433 27.742 16.628 1.00 0.00 WAT +ATOM 50988 H1 TIP3 14893 29.186 26.973 17.165 1.00 0.00 WAT +ATOM 50989 H2 TIP3 14893 29.960 27.350 15.918 1.00 0.00 WAT +ATOM 50990 OH2 TIP3 14894 26.668 23.079 23.991 1.00 0.00 WAT +ATOM 50991 H1 TIP3 14894 25.728 22.899 23.782 1.00 0.00 WAT +ATOM 50992 H2 TIP3 14894 27.095 22.341 23.518 1.00 0.00 WAT +ATOM 50993 OH2 TIP3 14895 19.301 27.130 19.964 1.00 0.00 WAT +ATOM 50994 H1 TIP3 14895 19.722 28.002 19.931 1.00 0.00 WAT +ATOM 50995 H2 TIP3 14895 18.373 27.344 19.814 1.00 0.00 WAT +ATOM 50996 OH2 TIP3 14896 15.296 21.949 14.657 1.00 0.00 WAT +ATOM 50997 H1 TIP3 14896 15.874 22.625 15.056 1.00 0.00 WAT +ATOM 50998 H2 TIP3 14896 14.421 22.217 14.994 1.00 0.00 WAT +ATOM 50999 OH2 TIP3 14897 21.143 24.845 19.629 1.00 0.00 WAT +ATOM 51000 H1 TIP3 14897 20.818 25.743 19.809 1.00 0.00 WAT +ATOM 51001 H2 TIP3 14897 20.473 24.315 20.090 1.00 0.00 WAT +ATOM 51002 OH2 TIP3 14898 21.282 29.117 26.028 1.00 0.00 WAT +ATOM 51003 H1 TIP3 14898 21.879 29.830 25.751 1.00 0.00 WAT +ATOM 51004 H2 TIP3 14898 21.879 28.556 26.555 1.00 0.00 WAT +ATOM 51005 OH2 TIP3 14899 19.754 30.062 19.254 1.00 0.00 WAT +ATOM 51006 H1 TIP3 14899 18.796 30.189 19.345 1.00 0.00 WAT +ATOM 51007 H2 TIP3 14899 20.093 30.944 19.493 1.00 0.00 WAT +ATOM 51008 OH2 TIP3 14900 24.809 24.909 25.664 1.00 0.00 WAT +ATOM 51009 H1 TIP3 14900 24.385 24.512 26.440 1.00 0.00 WAT +ATOM 51010 H2 TIP3 14900 25.443 24.217 25.414 1.00 0.00 WAT +ATOM 51011 OH2 TIP3 14901 26.885 26.168 14.515 1.00 0.00 WAT +ATOM 51012 H1 TIP3 14901 27.296 25.691 15.260 1.00 0.00 WAT +ATOM 51013 H2 TIP3 14901 25.951 26.019 14.747 1.00 0.00 WAT +ATOM 51014 OH2 TIP3 14902 27.699 29.444 28.015 1.00 0.00 WAT +ATOM 51015 H1 TIP3 14902 26.955 28.892 27.682 1.00 0.00 WAT +ATOM 51016 H2 TIP3 14902 27.714 30.178 27.372 1.00 0.00 WAT +ATOM 51017 OH2 TIP3 14903 31.627 30.413 15.040 1.00 0.00 WAT +ATOM 51018 H1 TIP3 14903 32.316 31.059 14.810 1.00 0.00 WAT +ATOM 51019 H2 TIP3 14903 30.853 31.005 15.050 1.00 0.00 WAT +ATOM 51020 OH2 TIP3 14904 15.503 16.790 27.676 1.00 0.00 WAT +ATOM 51021 H1 TIP3 14904 14.599 17.047 27.407 1.00 0.00 WAT +ATOM 51022 H2 TIP3 14904 15.349 15.913 28.069 1.00 0.00 WAT +ATOM 51023 OH2 TIP3 14905 27.849 24.770 16.883 1.00 0.00 WAT +ATOM 51024 H1 TIP3 14905 27.563 24.055 17.478 1.00 0.00 WAT +ATOM 51025 H2 TIP3 14905 28.815 24.740 16.990 1.00 0.00 WAT +ATOM 51026 OH2 TIP3 14906 15.253 28.546 26.074 1.00 0.00 WAT +ATOM 51027 H1 TIP3 14906 15.588 27.643 26.200 1.00 0.00 WAT +ATOM 51028 H2 TIP3 14906 15.501 28.932 26.922 1.00 0.00 WAT +ATOM 51029 OH2 TIP3 14907 21.123 27.198 13.076 1.00 0.00 WAT +ATOM 51030 H1 TIP3 14907 21.412 26.400 12.597 1.00 0.00 WAT +ATOM 51031 H2 TIP3 14907 20.694 26.806 13.856 1.00 0.00 WAT +ATOM 51032 OH2 TIP3 14908 19.971 26.726 15.782 1.00 0.00 WAT +ATOM 51033 H1 TIP3 14908 20.454 26.183 16.423 1.00 0.00 WAT +ATOM 51034 H2 TIP3 14908 20.111 27.632 16.129 1.00 0.00 WAT +ATOM 51035 OH2 TIP3 14909 16.796 24.163 16.175 1.00 0.00 WAT +ATOM 51036 H1 TIP3 14909 16.074 24.535 16.719 1.00 0.00 WAT +ATOM 51037 H2 TIP3 14909 17.276 24.969 15.924 1.00 0.00 WAT +ATOM 51038 OH2 TIP3 14910 24.510 16.626 26.197 1.00 0.00 WAT +ATOM 51039 H1 TIP3 14910 25.033 16.932 26.950 1.00 0.00 WAT +ATOM 51040 H2 TIP3 14910 23.943 15.939 26.597 1.00 0.00 WAT +ATOM 51041 OH2 TIP3 14911 25.128 16.051 17.476 1.00 0.00 WAT +ATOM 51042 H1 TIP3 14911 25.257 16.590 16.680 1.00 0.00 WAT +ATOM 51043 H2 TIP3 14911 25.542 16.598 18.164 1.00 0.00 WAT +ATOM 51044 OH2 TIP3 14912 22.931 28.371 16.430 1.00 0.00 WAT +ATOM 51045 H1 TIP3 14912 22.093 28.835 16.593 1.00 0.00 WAT +ATOM 51046 H2 TIP3 14912 23.255 28.814 15.635 1.00 0.00 WAT +ATOM 51047 OH2 TIP3 14913 22.554 18.029 18.426 1.00 0.00 WAT +ATOM 51048 H1 TIP3 14913 23.275 18.678 18.565 1.00 0.00 WAT +ATOM 51049 H2 TIP3 14913 22.222 17.905 19.334 1.00 0.00 WAT +ATOM 51050 OH2 TIP3 14914 22.839 19.102 27.554 1.00 0.00 WAT +ATOM 51051 H1 TIP3 14914 22.910 19.622 28.373 1.00 0.00 WAT +ATOM 51052 H2 TIP3 14914 23.348 18.318 27.784 1.00 0.00 WAT +ATOM 51053 OH2 TIP3 14915 23.148 15.075 19.423 1.00 0.00 WAT +ATOM 51054 H1 TIP3 14915 22.869 15.817 19.994 1.00 0.00 WAT +ATOM 51055 H2 TIP3 14915 23.820 15.504 18.857 1.00 0.00 WAT +ATOM 51056 OH2 TIP3 14916 20.121 29.422 16.422 1.00 0.00 WAT +ATOM 51057 H1 TIP3 14916 20.049 30.240 15.887 1.00 0.00 WAT +ATOM 51058 H2 TIP3 14916 19.978 29.755 17.327 1.00 0.00 WAT +ATOM 51059 OH2 TIP3 14917 18.837 16.081 15.894 1.00 0.00 WAT +ATOM 51060 H1 TIP3 14917 18.838 16.845 16.495 1.00 0.00 WAT +ATOM 51061 H2 TIP3 14917 19.646 15.613 16.174 1.00 0.00 WAT +ATOM 51062 OH2 TIP3 14918 29.173 16.964 28.457 1.00 0.00 WAT +ATOM 51063 H1 TIP3 14918 28.215 17.136 28.338 1.00 0.00 WAT +ATOM 51064 H2 TIP3 14918 29.403 16.785 27.535 1.00 0.00 WAT +ATOM 51065 OH2 TIP3 14919 27.696 20.810 22.462 1.00 0.00 WAT +ATOM 51066 H1 TIP3 14919 26.839 20.407 22.230 1.00 0.00 WAT +ATOM 51067 H2 TIP3 14919 28.137 20.087 22.954 1.00 0.00 WAT +ATOM 51068 OH2 TIP3 14920 17.240 26.985 14.945 1.00 0.00 WAT +ATOM 51069 H1 TIP3 14920 17.989 27.452 15.354 1.00 0.00 WAT +ATOM 51070 H2 TIP3 14920 17.726 26.458 14.291 1.00 0.00 WAT +ATOM 51071 OH2 TIP3 14921 15.363 19.177 13.971 1.00 0.00 WAT +ATOM 51072 H1 TIP3 14921 15.502 20.101 14.248 1.00 0.00 WAT +ATOM 51073 H2 TIP3 14921 14.424 19.172 13.757 1.00 0.00 WAT +ATOM 51074 OH2 TIP3 14922 28.697 29.695 23.885 1.00 0.00 WAT +ATOM 51075 H1 TIP3 14922 28.511 30.494 23.358 1.00 0.00 WAT +ATOM 51076 H2 TIP3 14922 29.632 29.835 24.099 1.00 0.00 WAT +ATOM 51077 OH2 TIP3 14923 16.319 14.180 22.826 1.00 0.00 WAT +ATOM 51078 H1 TIP3 14923 16.133 14.125 21.865 1.00 0.00 WAT +ATOM 51079 H2 TIP3 14923 15.967 13.330 23.151 1.00 0.00 WAT +ATOM 51080 OH2 TIP3 14924 15.198 27.685 19.149 1.00 0.00 WAT +ATOM 51081 H1 TIP3 14924 14.409 28.197 19.369 1.00 0.00 WAT +ATOM 51082 H2 TIP3 14924 15.571 28.197 18.416 1.00 0.00 WAT +ATOM 51083 OH2 TIP3 14925 14.594 30.588 30.281 1.00 0.00 WAT +ATOM 51084 H1 TIP3 14925 15.182 30.302 31.007 1.00 0.00 WAT +ATOM 51085 H2 TIP3 14925 14.217 29.732 29.995 1.00 0.00 WAT +ATOM 51086 OH2 TIP3 14926 19.313 29.649 32.066 1.00 0.00 WAT +ATOM 51087 H1 TIP3 14926 19.980 28.972 32.260 1.00 0.00 WAT +ATOM 51088 H2 TIP3 14926 19.059 29.403 31.161 1.00 0.00 WAT +ATOM 51089 OH2 TIP3 14927 23.339 28.902 13.584 1.00 0.00 WAT +ATOM 51090 H1 TIP3 14927 22.580 28.286 13.487 1.00 0.00 WAT +ATOM 51091 H2 TIP3 14927 24.048 28.350 13.216 1.00 0.00 WAT +ATOM 51092 OH2 TIP3 14928 25.713 27.961 30.695 1.00 0.00 WAT +ATOM 51093 H1 TIP3 14928 25.272 27.123 30.941 1.00 0.00 WAT +ATOM 51094 H2 TIP3 14928 26.438 28.002 31.327 1.00 0.00 WAT +ATOM 51095 OH2 TIP3 14929 27.974 28.821 13.693 1.00 0.00 WAT +ATOM 51096 H1 TIP3 14929 28.104 28.000 14.198 1.00 0.00 WAT +ATOM 51097 H2 TIP3 14929 28.768 28.841 13.130 1.00 0.00 WAT +ATOM 51098 OH2 TIP3 14930 14.544 24.212 31.419 1.00 0.00 WAT +ATOM 51099 H1 TIP3 14930 14.658 23.311 31.070 1.00 0.00 WAT +ATOM 51100 H2 TIP3 14930 13.794 24.521 30.874 1.00 0.00 WAT +ATOM 51101 OH2 TIP3 14931 18.774 24.653 13.425 1.00 0.00 WAT +ATOM 51102 H1 TIP3 14931 18.915 24.045 14.171 1.00 0.00 WAT +ATOM 51103 H2 TIP3 14931 19.633 24.582 12.968 1.00 0.00 WAT +ATOM 51104 OH2 TIP3 14932 21.106 24.385 30.764 1.00 0.00 WAT +ATOM 51105 H1 TIP3 14932 20.919 24.707 29.865 1.00 0.00 WAT +ATOM 51106 H2 TIP3 14932 21.239 23.429 30.601 1.00 0.00 WAT +ATOM 51107 OH2 TIP3 14933 24.007 25.968 13.032 1.00 0.00 WAT +ATOM 51108 H1 TIP3 14933 23.957 25.917 14.004 1.00 0.00 WAT +ATOM 51109 H2 TIP3 14933 23.956 25.012 12.815 1.00 0.00 WAT +ATOM 51110 OH2 TIP3 14934 26.605 23.978 28.151 1.00 0.00 WAT +ATOM 51111 H1 TIP3 14934 27.262 24.644 27.906 1.00 0.00 WAT +ATOM 51112 H2 TIP3 14934 25.776 24.495 28.166 1.00 0.00 WAT +ATOM 51113 OH2 TIP3 14935 15.406 21.350 30.575 1.00 0.00 WAT +ATOM 51114 H1 TIP3 14935 16.150 20.722 30.558 1.00 0.00 WAT +ATOM 51115 H2 TIP3 14935 15.363 21.547 31.524 1.00 0.00 WAT +ATOM 51116 OH2 TIP3 14936 19.855 22.727 15.759 1.00 0.00 WAT +ATOM 51117 H1 TIP3 14936 19.240 22.218 16.308 1.00 0.00 WAT +ATOM 51118 H2 TIP3 14936 20.154 22.042 15.124 1.00 0.00 WAT +ATOM 51119 OH2 TIP3 14937 19.063 20.422 27.906 1.00 0.00 WAT +ATOM 51120 H1 TIP3 14937 18.572 21.184 28.259 1.00 0.00 WAT +ATOM 51121 H2 TIP3 14937 19.723 20.924 27.378 1.00 0.00 WAT +ATOM 51122 OH2 TIP3 14938 20.809 20.753 14.018 1.00 0.00 WAT +ATOM 51123 H1 TIP3 14938 20.751 20.777 13.046 1.00 0.00 WAT +ATOM 51124 H2 TIP3 14938 21.772 20.694 14.156 1.00 0.00 WAT +ATOM 51125 OH2 TIP3 14939 24.409 23.186 31.688 1.00 0.00 WAT +ATOM 51126 H1 TIP3 14939 25.241 22.973 31.244 1.00 0.00 WAT +ATOM 51127 H2 TIP3 14939 24.111 22.312 31.976 1.00 0.00 WAT +ATOM 51128 OH2 TIP3 14940 30.331 23.256 13.338 1.00 0.00 WAT +ATOM 51129 H1 TIP3 14940 30.209 22.829 12.477 1.00 0.00 WAT +ATOM 51130 H2 TIP3 14940 30.208 24.199 13.094 1.00 0.00 WAT +ATOM 51131 OH2 TIP3 14941 19.675 17.768 29.151 1.00 0.00 WAT +ATOM 51132 H1 TIP3 14941 19.719 17.104 28.441 1.00 0.00 WAT +ATOM 51133 H2 TIP3 14941 19.469 18.578 28.649 1.00 0.00 WAT +ATOM 51134 OH2 TIP3 14942 20.014 16.202 26.582 1.00 0.00 WAT +ATOM 51135 H1 TIP3 14942 20.507 16.779 25.967 1.00 0.00 WAT +ATOM 51136 H2 TIP3 14942 19.093 16.259 26.250 1.00 0.00 WAT +ATOM 51137 OH2 TIP3 14943 26.136 19.610 31.780 1.00 0.00 WAT +ATOM 51138 H1 TIP3 14943 26.319 18.679 31.984 1.00 0.00 WAT +ATOM 51139 H2 TIP3 14943 27.029 19.983 31.739 1.00 0.00 WAT +ATOM 51140 OH2 TIP3 14944 27.117 22.414 30.301 1.00 0.00 WAT +ATOM 51141 H1 TIP3 14944 26.737 22.990 29.603 1.00 0.00 WAT +ATOM 51142 H2 TIP3 14944 27.987 22.242 29.891 1.00 0.00 WAT +ATOM 51143 OH2 TIP3 14945 17.864 19.627 30.944 1.00 0.00 WAT +ATOM 51144 H1 TIP3 14945 17.351 18.799 30.933 1.00 0.00 WAT +ATOM 51145 H2 TIP3 14945 18.686 19.355 30.509 1.00 0.00 WAT +ATOM 51146 OH2 TIP3 14946 20.786 13.529 26.859 1.00 0.00 WAT +ATOM 51147 H1 TIP3 14946 20.591 14.484 26.733 1.00 0.00 WAT +ATOM 51148 H2 TIP3 14946 20.029 13.132 26.382 1.00 0.00 WAT +ATOM 51149 OH2 TIP3 14947 22.002 18.132 30.732 1.00 0.00 WAT +ATOM 51150 H1 TIP3 14947 21.648 17.920 31.614 1.00 0.00 WAT +ATOM 51151 H2 TIP3 14947 21.197 17.964 30.196 1.00 0.00 WAT +ATOM 51152 OH2 TIP3 14948 24.514 17.164 29.576 1.00 0.00 WAT +ATOM 51153 H1 TIP3 14948 23.636 17.274 29.991 1.00 0.00 WAT +ATOM 51154 H2 TIP3 14948 24.957 16.576 30.215 1.00 0.00 WAT +ATOM 51155 OH2 TIP3 14949 26.399 15.659 31.366 1.00 0.00 WAT +ATOM 51156 H1 TIP3 14949 26.178 14.725 31.539 1.00 0.00 WAT +ATOM 51157 H2 TIP3 14949 26.175 16.098 32.210 1.00 0.00 WAT +ATOM 51158 OH2 TIP3 14950 16.547 17.083 30.784 1.00 0.00 WAT +ATOM 51159 H1 TIP3 14950 16.455 16.380 30.120 1.00 0.00 WAT +ATOM 51160 H2 TIP3 14950 16.320 16.606 31.605 1.00 0.00 WAT +ATOM 51161 OH2 TIP3 14951 20.552 13.079 29.763 1.00 0.00 WAT +ATOM 51162 H1 TIP3 14951 21.115 12.294 29.835 1.00 0.00 WAT +ATOM 51163 H2 TIP3 14951 20.532 13.221 28.800 1.00 0.00 WAT +ATOM 51164 OH2 TIP3 14952 21.519 14.940 31.580 1.00 0.00 WAT +ATOM 51165 H1 TIP3 14952 21.158 14.336 30.899 1.00 0.00 WAT +ATOM 51166 H2 TIP3 14952 20.825 15.612 31.654 1.00 0.00 WAT +ATOM 51167 OH2 TIP3 14953 20.574 31.975 15.115 1.00 0.00 WAT +ATOM 51168 H1 TIP3 14953 21.531 32.078 15.219 1.00 0.00 WAT +ATOM 51169 H2 TIP3 14953 20.435 32.423 14.271 1.00 0.00 WAT +ATOM 51170 OH2 TIP3 14954 14.484 26.378 14.633 1.00 0.00 WAT +ATOM 51171 H1 TIP3 14954 15.438 26.547 14.782 1.00 0.00 WAT +ATOM 51172 H2 TIP3 14954 14.502 25.576 14.072 1.00 0.00 WAT +ATOM 51173 OH2 TIP3 14955 13.460 31.567 19.391 1.00 0.00 WAT +ATOM 51174 H1 TIP3 14955 12.756 31.179 18.837 1.00 0.00 WAT +ATOM 51175 H2 TIP3 14955 13.577 30.872 20.071 1.00 0.00 WAT +ATOM 51176 OH2 TIP3 14956 13.854 29.589 21.370 1.00 0.00 WAT +ATOM 51177 H1 TIP3 14956 13.580 28.708 21.677 1.00 0.00 WAT +ATOM 51178 H2 TIP3 14956 14.233 29.924 22.198 1.00 0.00 WAT +ATOM 51179 OH2 TIP3 14957 31.438 30.820 24.357 1.00 0.00 WAT +ATOM 51180 H1 TIP3 14957 31.586 30.844 25.312 1.00 0.00 WAT +ATOM 51181 H2 TIP3 14957 32.268 31.180 24.020 1.00 0.00 WAT +ATOM 51182 OH2 TIP3 14958 31.299 30.285 27.312 1.00 0.00 WAT +ATOM 51183 H1 TIP3 14958 30.800 29.576 26.864 1.00 0.00 WAT +ATOM 51184 H2 TIP3 14958 31.882 29.752 27.875 1.00 0.00 WAT +ATOM 51185 OH2 TIP3 14959 29.324 25.825 31.499 1.00 0.00 WAT +ATOM 51186 H1 TIP3 14959 28.471 25.758 31.961 1.00 0.00 WAT +ATOM 51187 H2 TIP3 14959 29.804 26.517 31.977 1.00 0.00 WAT +ATOM 51188 OH2 TIP3 14960 30.714 24.625 17.272 1.00 0.00 WAT +ATOM 51189 H1 TIP3 14960 31.621 24.939 17.446 1.00 0.00 WAT +ATOM 51190 H2 TIP3 14960 30.613 23.985 18.001 1.00 0.00 WAT +ATOM 51191 OH2 TIP3 14961 31.168 22.584 19.244 1.00 0.00 WAT +ATOM 51192 H1 TIP3 14961 30.493 22.021 19.675 1.00 0.00 WAT +ATOM 51193 H2 TIP3 14961 31.845 22.696 19.938 1.00 0.00 WAT +ATOM 51194 OH2 TIP3 14962 30.918 25.086 24.246 1.00 0.00 WAT +ATOM 51195 H1 TIP3 14962 31.509 24.587 23.661 1.00 0.00 WAT +ATOM 51196 H2 TIP3 14962 30.993 25.988 23.895 1.00 0.00 WAT +ATOM 51197 OH2 TIP3 14963 29.610 28.013 26.463 1.00 0.00 WAT +ATOM 51198 H1 TIP3 14963 28.852 28.393 26.941 1.00 0.00 WAT +ATOM 51199 H2 TIP3 14963 29.172 27.641 25.669 1.00 0.00 WAT +ATOM 51200 OH2 TIP3 14964 31.436 22.027 15.830 1.00 0.00 WAT +ATOM 51201 H1 TIP3 14964 30.914 22.305 15.054 1.00 0.00 WAT +ATOM 51202 H2 TIP3 14964 31.288 22.776 16.428 1.00 0.00 WAT +ATOM 51203 OH2 TIP3 14965 29.728 19.576 14.099 1.00 0.00 WAT +ATOM 51204 H1 TIP3 14965 29.949 20.176 13.374 1.00 0.00 WAT +ATOM 51205 H2 TIP3 14965 29.453 18.766 13.625 1.00 0.00 WAT +ATOM 51206 OH2 TIP3 14966 29.125 20.709 20.071 1.00 0.00 WAT +ATOM 51207 H1 TIP3 14966 29.020 19.759 19.904 1.00 0.00 WAT +ATOM 51208 H2 TIP3 14966 28.717 20.812 20.956 1.00 0.00 WAT +ATOM 51209 OH2 TIP3 14967 13.952 22.942 23.782 1.00 0.00 WAT +ATOM 51210 H1 TIP3 14967 14.209 22.985 22.846 1.00 0.00 WAT +ATOM 51211 H2 TIP3 14967 14.819 22.721 24.186 1.00 0.00 WAT +ATOM 51212 OH2 TIP3 14968 29.722 22.648 29.220 1.00 0.00 WAT +ATOM 51213 H1 TIP3 14968 30.450 22.019 29.378 1.00 0.00 WAT +ATOM 51214 H2 TIP3 14968 30.185 23.467 29.007 1.00 0.00 WAT +ATOM 51215 OH2 TIP3 14969 31.269 20.745 30.440 1.00 0.00 WAT +ATOM 51216 H1 TIP3 14969 30.472 20.222 30.199 1.00 0.00 WAT +ATOM 51217 H2 TIP3 14969 31.966 20.065 30.393 1.00 0.00 WAT +ATOM 51218 OH2 TIP3 14970 29.170 16.933 13.290 1.00 0.00 WAT +ATOM 51219 H1 TIP3 14970 29.706 16.414 13.912 1.00 0.00 WAT +ATOM 51220 H2 TIP3 14970 28.350 16.419 13.201 1.00 0.00 WAT +ATOM 51221 OH2 TIP3 14971 28.982 18.205 18.263 1.00 0.00 WAT +ATOM 51222 H1 TIP3 14971 29.223 17.255 18.288 1.00 0.00 WAT +ATOM 51223 H2 TIP3 14971 29.775 18.577 17.839 1.00 0.00 WAT +ATOM 51224 OH2 TIP3 14972 29.203 18.776 23.678 1.00 0.00 WAT +ATOM 51225 H1 TIP3 14972 30.169 18.931 23.661 1.00 0.00 WAT +ATOM 51226 H2 TIP3 14972 29.032 18.865 24.632 1.00 0.00 WAT +ATOM 51227 OH2 TIP3 14973 29.350 19.515 26.488 1.00 0.00 WAT +ATOM 51228 H1 TIP3 14973 28.489 19.888 26.764 1.00 0.00 WAT +ATOM 51229 H2 TIP3 14973 29.859 20.324 26.302 1.00 0.00 WAT +ATOM 51230 OH2 TIP3 14974 13.865 18.284 30.191 1.00 0.00 WAT +ATOM 51231 H1 TIP3 14974 14.801 18.017 30.199 1.00 0.00 WAT +ATOM 51232 H2 TIP3 14974 13.419 17.419 30.234 1.00 0.00 WAT +ATOM 51233 OH2 TIP3 14975 31.983 13.693 31.806 1.00 0.00 WAT +ATOM 51234 H1 TIP3 14975 32.326 12.983 31.234 1.00 0.00 WAT +ATOM 51235 H2 TIP3 14975 31.952 14.454 31.196 1.00 0.00 WAT +ATOM 51236 OH2 TIP3 14976 29.456 15.408 18.219 1.00 0.00 WAT +ATOM 51237 H1 TIP3 14976 29.514 15.108 19.142 1.00 0.00 WAT +ATOM 51238 H2 TIP3 14976 28.655 14.932 17.913 1.00 0.00 WAT +ATOM 51239 OH2 TIP3 14977 14.629 16.612 22.980 1.00 0.00 WAT +ATOM 51240 H1 TIP3 14977 15.086 15.755 23.043 1.00 0.00 WAT +ATOM 51241 H2 TIP3 14977 15.316 17.212 23.326 1.00 0.00 WAT +ATOM 51242 OH2 TIP3 14978 13.171 19.294 24.019 1.00 0.00 WAT +ATOM 51243 H1 TIP3 14978 13.746 19.235 23.239 1.00 0.00 WAT +ATOM 51244 H2 TIP3 14978 13.560 20.051 24.474 1.00 0.00 WAT +ATOM 51245 OH2 TIP3 14979 31.296 15.691 30.023 1.00 0.00 WAT +ATOM 51246 H1 TIP3 14979 30.428 16.128 30.106 1.00 0.00 WAT +ATOM 51247 H2 TIP3 14979 31.148 15.175 29.212 1.00 0.00 WAT +ATOM 51248 OH2 TIP3 14980 31.414 15.873 14.919 1.00 0.00 WAT +ATOM 51249 H1 TIP3 14980 31.720 15.100 14.415 1.00 0.00 WAT +ATOM 51250 H2 TIP3 14980 32.210 16.427 14.949 1.00 0.00 WAT +ATOM 51251 OH2 TIP3 14981 13.667 15.686 18.164 1.00 0.00 WAT +ATOM 51252 H1 TIP3 14981 12.733 15.651 17.896 1.00 0.00 WAT +ATOM 51253 H2 TIP3 14981 14.090 16.186 17.440 1.00 0.00 WAT +ATOM 51254 OH2 TIP3 14982 28.299 30.935 20.167 1.00 0.00 WAT +ATOM 51255 H1 TIP3 14982 28.759 30.646 19.361 1.00 0.00 WAT +ATOM 51256 H2 TIP3 14982 29.029 31.243 20.715 1.00 0.00 WAT +ATOM 51257 OH2 TIP3 14983 13.715 14.524 26.233 1.00 0.00 WAT +ATOM 51258 H1 TIP3 14983 13.002 14.236 26.819 1.00 0.00 WAT +ATOM 51259 H2 TIP3 14983 13.215 15.025 25.563 1.00 0.00 WAT +ATOM 51260 OH2 TIP3 14984 15.710 27.605 30.869 1.00 0.00 WAT +ATOM 51261 H1 TIP3 14984 14.985 27.558 30.226 1.00 0.00 WAT +ATOM 51262 H2 TIP3 14984 15.243 27.542 31.712 1.00 0.00 WAT +ATOM 51263 OH2 TIP3 14985 18.531 28.480 26.581 1.00 0.00 WAT +ATOM 51264 H1 TIP3 14985 18.215 29.322 26.216 1.00 0.00 WAT +ATOM 51265 H2 TIP3 14985 19.484 28.558 26.374 1.00 0.00 WAT +ATOM 51266 OH2 TIP3 14986 22.993 29.988 29.635 1.00 0.00 WAT +ATOM 51267 H1 TIP3 14986 23.182 29.679 30.534 1.00 0.00 WAT +ATOM 51268 H2 TIP3 14986 23.868 30.276 29.317 1.00 0.00 WAT +ATOM 51269 OH2 TIP3 14987 25.362 31.360 28.812 1.00 0.00 WAT +ATOM 51270 H1 TIP3 14987 25.962 30.685 28.455 1.00 0.00 WAT +ATOM 51271 H2 TIP3 14987 25.752 31.525 29.673 1.00 0.00 WAT +ATOM 51272 OH2 TIP3 14988 30.087 13.931 27.965 1.00 0.00 WAT +ATOM 51273 H1 TIP3 14988 29.339 14.230 27.422 1.00 0.00 WAT +ATOM 51274 H2 TIP3 14988 30.286 13.044 27.602 1.00 0.00 WAT +ATOM 51275 OH2 TIP3 14989 15.924 31.559 26.906 1.00 0.00 WAT +ATOM 51276 H1 TIP3 14989 15.323 32.182 26.462 1.00 0.00 WAT +ATOM 51277 H2 TIP3 14989 15.561 31.565 27.799 1.00 0.00 WAT +ATOM 51278 OH2 TIP3 14990 18.433 31.294 25.477 1.00 0.00 WAT +ATOM 51279 H1 TIP3 14990 17.571 31.453 25.911 1.00 0.00 WAT +ATOM 51280 H2 TIP3 14990 18.445 31.977 24.784 1.00 0.00 WAT +ATOM 51281 OH2 TIP3 14991 23.172 31.317 25.007 1.00 0.00 WAT +ATOM 51282 H1 TIP3 14991 22.766 31.736 24.227 1.00 0.00 WAT +ATOM 51283 H2 TIP3 14991 23.218 32.065 25.627 1.00 0.00 WAT +ATOM 51284 OH2 TIP3 14992 25.498 30.082 25.988 1.00 0.00 WAT +ATOM 51285 H1 TIP3 14992 24.649 30.361 25.597 1.00 0.00 WAT +ATOM 51286 H2 TIP3 14992 26.040 30.869 25.860 1.00 0.00 WAT +ATOM 51287 OH2 TIP3 14993 28.070 31.760 26.136 1.00 0.00 WAT +ATOM 51288 H1 TIP3 14993 28.022 32.707 25.904 1.00 0.00 WAT +ATOM 51289 H2 TIP3 14993 28.296 31.376 25.271 1.00 0.00 WAT +ATOM 51290 OH2 TIP3 14994 15.499 30.336 23.854 1.00 0.00 WAT +ATOM 51291 H1 TIP3 14994 15.473 29.837 24.700 1.00 0.00 WAT +ATOM 51292 H2 TIP3 14994 16.250 29.888 23.413 1.00 0.00 WAT +ATOM 51293 OH2 TIP3 14995 17.513 29.070 22.307 1.00 0.00 WAT +ATOM 51294 H1 TIP3 14995 17.362 28.137 22.575 1.00 0.00 WAT +ATOM 51295 H2 TIP3 14995 18.432 29.206 22.611 1.00 0.00 WAT +ATOM 51296 OH2 TIP3 14996 20.299 29.556 23.173 1.00 0.00 WAT +ATOM 51297 H1 TIP3 14996 20.452 28.613 22.958 1.00 0.00 WAT +ATOM 51298 H2 TIP3 14996 20.336 29.512 24.142 1.00 0.00 WAT +ATOM 51299 OH2 TIP3 14997 23.662 15.438 22.544 1.00 0.00 WAT +ATOM 51300 H1 TIP3 14997 22.946 14.797 22.709 1.00 0.00 WAT +ATOM 51301 H2 TIP3 14997 24.131 15.028 21.805 1.00 0.00 WAT +ATOM 51302 OH2 TIP3 14998 28.558 13.413 22.917 1.00 0.00 WAT +ATOM 51303 H1 TIP3 14998 29.308 13.907 22.538 1.00 0.00 WAT +ATOM 51304 H2 TIP3 14998 27.811 13.764 22.395 1.00 0.00 WAT +ATOM 51305 OH2 TIP3 14999 30.653 14.539 20.835 1.00 0.00 WAT +ATOM 51306 H1 TIP3 14999 31.353 14.174 20.267 1.00 0.00 WAT +ATOM 51307 H2 TIP3 14999 30.933 15.473 20.920 1.00 0.00 WAT +ATOM 51308 OH2 TIP3 15000 15.939 13.958 20.011 1.00 0.00 WAT +ATOM 51309 H1 TIP3 15000 15.083 13.910 19.544 1.00 0.00 WAT +ATOM 51310 H2 TIP3 15000 16.295 13.070 19.820 1.00 0.00 WAT +ATOM 51311 OH2 TIP3 15001 14.804 13.500 15.984 1.00 0.00 WAT +ATOM 51312 H1 TIP3 15001 15.130 14.174 15.375 1.00 0.00 WAT +ATOM 51313 H2 TIP3 15001 14.269 14.001 16.612 1.00 0.00 WAT +ATOM 51314 OH2 TIP3 15002 20.449 13.955 19.933 1.00 0.00 WAT +ATOM 51315 H1 TIP3 15002 21.368 14.256 19.852 1.00 0.00 WAT +ATOM 51316 H2 TIP3 15002 20.362 13.837 20.885 1.00 0.00 WAT +ATOM 51317 OH2 TIP3 15003 26.112 13.987 21.338 1.00 0.00 WAT +ATOM 51318 H1 TIP3 15003 26.242 13.947 20.382 1.00 0.00 WAT +ATOM 51319 H2 TIP3 15003 25.587 13.182 21.499 1.00 0.00 WAT +ATOM 51320 OH2 TIP3 15004 27.134 14.024 17.334 1.00 0.00 WAT +ATOM 51321 H1 TIP3 15004 26.323 14.552 17.189 1.00 0.00 WAT +ATOM 51322 H2 TIP3 15004 26.756 13.132 17.422 1.00 0.00 WAT +ATOM 51323 OH2 TIP3 15005 14.943 29.605 17.082 1.00 0.00 WAT +ATOM 51324 H1 TIP3 15005 14.309 29.477 16.360 1.00 0.00 WAT +ATOM 51325 H2 TIP3 15005 14.930 30.570 17.155 1.00 0.00 WAT +ATOM 51326 OH2 TIP3 15006 16.495 15.606 14.258 1.00 0.00 WAT +ATOM 51327 H1 TIP3 15006 16.963 14.835 13.907 1.00 0.00 WAT +ATOM 51328 H2 TIP3 15006 17.046 15.820 15.033 1.00 0.00 WAT +ATOM 51329 OH2 TIP3 15007 21.586 15.626 16.951 1.00 0.00 WAT +ATOM 51330 H1 TIP3 15007 21.881 15.060 17.678 1.00 0.00 WAT +ATOM 51331 H2 TIP3 15007 21.755 16.504 17.325 1.00 0.00 WAT +ATOM 51332 OH2 TIP3 15008 23.620 31.444 15.191 1.00 0.00 WAT +ATOM 51333 H1 TIP3 15008 24.594 31.442 15.150 1.00 0.00 WAT +ATOM 51334 H2 TIP3 15008 23.417 30.776 14.516 1.00 0.00 WAT +ATOM 51335 OH2 TIP3 15009 30.128 30.460 17.779 1.00 0.00 WAT +ATOM 51336 H1 TIP3 15009 29.893 29.611 17.350 1.00 0.00 WAT +ATOM 51337 H2 TIP3 15009 30.075 31.071 17.026 1.00 0.00 WAT +ATOM 51338 OH2 TIP3 15010 15.747 14.396 29.578 1.00 0.00 WAT +ATOM 51339 H1 TIP3 15010 15.346 13.576 29.919 1.00 0.00 WAT +ATOM 51340 H2 TIP3 15010 16.673 14.265 29.839 1.00 0.00 WAT +ATOM 51341 OH2 TIP3 15011 18.130 13.776 31.294 1.00 0.00 WAT +ATOM 51342 H1 TIP3 15011 18.945 13.408 30.900 1.00 0.00 WAT +ATOM 51343 H2 TIP3 15011 17.779 12.991 31.746 1.00 0.00 WAT +ATOM 51344 OH2 TIP3 15012 16.389 30.570 13.873 1.00 0.00 WAT +ATOM 51345 H1 TIP3 15012 16.145 30.823 14.774 1.00 0.00 WAT +ATOM 51346 H2 TIP3 15012 17.145 29.977 14.017 1.00 0.00 WAT +ATOM 51347 OH2 TIP3 15013 26.237 12.829 31.371 1.00 0.00 WAT +ATOM 51348 H1 TIP3 15013 26.205 12.458 32.276 1.00 0.00 WAT +ATOM 51349 H2 TIP3 15013 27.197 12.875 31.215 1.00 0.00 WAT +ATOM 51350 OH2 TIP3 15014 29.478 29.671 30.323 1.00 0.00 WAT +ATOM 51351 H1 TIP3 15014 28.926 29.173 29.686 1.00 0.00 WAT +ATOM 51352 H2 TIP3 15014 29.525 30.510 29.847 1.00 0.00 WAT +ATOM 51353 OH2 TIP3 15015 42.135 21.935 23.404 1.00 0.00 WAT +ATOM 51354 H1 TIP3 15015 42.907 22.244 23.918 1.00 0.00 WAT +ATOM 51355 H2 TIP3 15015 42.482 22.000 22.505 1.00 0.00 WAT +ATOM 51356 OH2 TIP3 15016 35.150 21.928 25.033 1.00 0.00 WAT +ATOM 51357 H1 TIP3 15016 35.134 21.189 25.668 1.00 0.00 WAT +ATOM 51358 H2 TIP3 15016 35.862 22.473 25.400 1.00 0.00 WAT +ATOM 51359 OH2 TIP3 15017 35.875 26.548 23.686 1.00 0.00 WAT +ATOM 51360 H1 TIP3 15017 35.655 25.626 23.436 1.00 0.00 WAT +ATOM 51361 H2 TIP3 15017 36.813 26.435 23.914 1.00 0.00 WAT +ATOM 51362 OH2 TIP3 15018 32.803 19.965 18.920 1.00 0.00 WAT +ATOM 51363 H1 TIP3 15018 32.403 20.845 19.009 1.00 0.00 WAT +ATOM 51364 H2 TIP3 15018 32.080 19.470 18.514 1.00 0.00 WAT +ATOM 51365 OH2 TIP3 15019 33.610 22.432 20.790 1.00 0.00 WAT +ATOM 51366 H1 TIP3 15019 33.753 21.594 21.271 1.00 0.00 WAT +ATOM 51367 H2 TIP3 15019 34.446 22.528 20.314 1.00 0.00 WAT +ATOM 51368 OH2 TIP3 15020 41.206 24.886 23.954 1.00 0.00 WAT +ATOM 51369 H1 TIP3 15020 41.547 24.127 23.458 1.00 0.00 WAT +ATOM 51370 H2 TIP3 15020 41.950 25.111 24.526 1.00 0.00 WAT +ATOM 51371 OH2 TIP3 15021 37.465 17.185 21.540 1.00 0.00 WAT +ATOM 51372 H1 TIP3 15021 37.571 18.055 21.106 1.00 0.00 WAT +ATOM 51373 H2 TIP3 15021 37.085 16.679 20.793 1.00 0.00 WAT +ATOM 51374 OH2 TIP3 15022 34.110 19.930 22.027 1.00 0.00 WAT +ATOM 51375 H1 TIP3 15022 34.740 19.462 22.598 1.00 0.00 WAT +ATOM 51376 H2 TIP3 15022 34.200 19.439 21.191 1.00 0.00 WAT +ATOM 51377 OH2 TIP3 15023 39.502 21.294 21.489 1.00 0.00 WAT +ATOM 51378 H1 TIP3 15023 40.278 20.807 21.821 1.00 0.00 WAT +ATOM 51379 H2 TIP3 15023 39.021 20.591 21.021 1.00 0.00 WAT +ATOM 51380 OH2 TIP3 15024 36.266 15.907 25.656 1.00 0.00 WAT +ATOM 51381 H1 TIP3 15024 35.906 16.417 24.915 1.00 0.00 WAT +ATOM 51382 H2 TIP3 15024 35.594 16.078 26.345 1.00 0.00 WAT +ATOM 51383 OH2 TIP3 15025 39.127 23.789 25.766 1.00 0.00 WAT +ATOM 51384 H1 TIP3 15025 38.453 24.390 26.152 1.00 0.00 WAT +ATOM 51385 H2 TIP3 15025 39.818 24.433 25.534 1.00 0.00 WAT +ATOM 51386 OH2 TIP3 15026 35.830 18.033 23.621 1.00 0.00 WAT +ATOM 51387 H1 TIP3 15026 36.465 18.617 24.087 1.00 0.00 WAT +ATOM 51388 H2 TIP3 15026 36.412 17.667 22.921 1.00 0.00 WAT +ATOM 51389 OH2 TIP3 15027 37.170 25.737 26.589 1.00 0.00 WAT +ATOM 51390 H1 TIP3 15027 37.344 26.680 26.435 1.00 0.00 WAT +ATOM 51391 H2 TIP3 15027 36.354 25.784 27.107 1.00 0.00 WAT +ATOM 51392 OH2 TIP3 15028 33.477 25.452 17.414 1.00 0.00 WAT +ATOM 51393 H1 TIP3 15028 33.268 25.944 16.601 1.00 0.00 WAT +ATOM 51394 H2 TIP3 15028 33.634 26.157 18.075 1.00 0.00 WAT +ATOM 51395 OH2 TIP3 15029 42.683 22.398 17.383 1.00 0.00 WAT +ATOM 51396 H1 TIP3 15029 41.995 23.077 17.244 1.00 0.00 WAT +ATOM 51397 H2 TIP3 15029 43.290 22.578 16.667 1.00 0.00 WAT +ATOM 51398 OH2 TIP3 15030 42.894 20.778 14.610 1.00 0.00 WAT +ATOM 51399 H1 TIP3 15030 43.608 20.690 15.259 1.00 0.00 WAT +ATOM 51400 H2 TIP3 15030 42.938 19.953 14.116 1.00 0.00 WAT +ATOM 51401 OH2 TIP3 15031 37.575 23.174 20.420 1.00 0.00 WAT +ATOM 51402 H1 TIP3 15031 37.279 22.743 19.597 1.00 0.00 WAT +ATOM 51403 H2 TIP3 15031 38.239 22.543 20.754 1.00 0.00 WAT +ATOM 51404 OH2 TIP3 15032 38.975 26.600 23.143 1.00 0.00 WAT +ATOM 51405 H1 TIP3 15032 38.907 26.138 22.298 1.00 0.00 WAT +ATOM 51406 H2 TIP3 15032 39.734 26.141 23.553 1.00 0.00 WAT +ATOM 51407 OH2 TIP3 15033 38.143 21.950 23.871 1.00 0.00 WAT +ATOM 51408 H1 TIP3 15033 38.735 21.973 23.092 1.00 0.00 WAT +ATOM 51409 H2 TIP3 15033 38.512 22.662 24.431 1.00 0.00 WAT +ATOM 51410 OH2 TIP3 15034 35.935 22.673 27.858 1.00 0.00 WAT +ATOM 51411 H1 TIP3 15034 36.026 23.310 28.588 1.00 0.00 WAT +ATOM 51412 H2 TIP3 15034 34.968 22.590 27.790 1.00 0.00 WAT +ATOM 51413 OH2 TIP3 15035 42.526 28.423 19.586 1.00 0.00 WAT +ATOM 51414 H1 TIP3 15035 42.994 28.910 20.285 1.00 0.00 WAT +ATOM 51415 H2 TIP3 15035 42.003 29.119 19.169 1.00 0.00 WAT +ATOM 51416 OH2 TIP3 15036 37.112 28.602 29.597 1.00 0.00 WAT +ATOM 51417 H1 TIP3 15036 37.336 28.245 28.722 1.00 0.00 WAT +ATOM 51418 H2 TIP3 15036 36.352 28.056 29.854 1.00 0.00 WAT +ATOM 51419 OH2 TIP3 15037 36.498 21.918 17.945 1.00 0.00 WAT +ATOM 51420 H1 TIP3 15037 36.307 22.692 17.386 1.00 0.00 WAT +ATOM 51421 H2 TIP3 15037 35.818 21.295 17.656 1.00 0.00 WAT +ATOM 51422 OH2 TIP3 15038 32.558 24.602 26.663 1.00 0.00 WAT +ATOM 51423 H1 TIP3 15038 32.093 24.599 25.801 1.00 0.00 WAT +ATOM 51424 H2 TIP3 15038 32.680 23.649 26.827 1.00 0.00 WAT +ATOM 51425 OH2 TIP3 15039 32.650 27.605 23.575 1.00 0.00 WAT +ATOM 51426 H1 TIP3 15039 33.536 27.227 23.680 1.00 0.00 WAT +ATOM 51427 H2 TIP3 15039 32.554 28.116 24.390 1.00 0.00 WAT +ATOM 51428 OH2 TIP3 15040 41.807 31.213 18.133 1.00 0.00 WAT +ATOM 51429 H1 TIP3 15040 42.039 31.199 17.193 1.00 0.00 WAT +ATOM 51430 H2 TIP3 15040 42.105 32.080 18.433 1.00 0.00 WAT +ATOM 51431 OH2 TIP3 15041 35.729 30.352 19.791 1.00 0.00 WAT +ATOM 51432 H1 TIP3 15041 35.867 29.855 20.620 1.00 0.00 WAT +ATOM 51433 H2 TIP3 15041 34.923 29.937 19.452 1.00 0.00 WAT +ATOM 51434 OH2 TIP3 15042 34.657 26.216 27.986 1.00 0.00 WAT +ATOM 51435 H1 TIP3 15042 35.034 25.672 28.707 1.00 0.00 WAT +ATOM 51436 H2 TIP3 15042 34.031 25.607 27.552 1.00 0.00 WAT +ATOM 51437 OH2 TIP3 15043 38.253 14.522 23.497 1.00 0.00 WAT +ATOM 51438 H1 TIP3 15043 37.389 14.439 23.067 1.00 0.00 WAT +ATOM 51439 H2 TIP3 15043 38.125 15.319 24.026 1.00 0.00 WAT +ATOM 51440 OH2 TIP3 15044 42.343 13.932 27.920 1.00 0.00 WAT +ATOM 51441 H1 TIP3 15044 42.432 13.237 28.590 1.00 0.00 WAT +ATOM 51442 H2 TIP3 15044 41.420 13.789 27.628 1.00 0.00 WAT +ATOM 51443 OH2 TIP3 15045 42.271 16.785 14.586 1.00 0.00 WAT +ATOM 51444 H1 TIP3 15045 41.707 16.634 15.353 1.00 0.00 WAT +ATOM 51445 H2 TIP3 15045 41.968 16.088 13.988 1.00 0.00 WAT +ATOM 51446 OH2 TIP3 15046 37.800 19.413 25.088 1.00 0.00 WAT +ATOM 51447 H1 TIP3 15046 37.205 19.542 25.844 1.00 0.00 WAT +ATOM 51448 H2 TIP3 15046 37.877 20.321 24.718 1.00 0.00 WAT +ATOM 51449 OH2 TIP3 15047 37.745 19.461 19.981 1.00 0.00 WAT +ATOM 51450 H1 TIP3 15047 36.784 19.402 19.823 1.00 0.00 WAT +ATOM 51451 H2 TIP3 15047 38.083 19.325 19.077 1.00 0.00 WAT +ATOM 51452 OH2 TIP3 15048 42.484 20.335 19.110 1.00 0.00 WAT +ATOM 51453 H1 TIP3 15048 42.389 21.212 18.679 1.00 0.00 WAT +ATOM 51454 H2 TIP3 15048 43.425 20.204 18.910 1.00 0.00 WAT +ATOM 51455 OH2 TIP3 15049 42.578 20.293 30.302 1.00 0.00 WAT +ATOM 51456 H1 TIP3 15049 41.969 19.532 30.422 1.00 0.00 WAT +ATOM 51457 H2 TIP3 15049 43.431 19.829 30.267 1.00 0.00 WAT +ATOM 51458 OH2 TIP3 15050 35.158 19.584 26.926 1.00 0.00 WAT +ATOM 51459 H1 TIP3 15050 35.421 19.898 27.799 1.00 0.00 WAT +ATOM 51460 H2 TIP3 15050 34.823 18.693 27.128 1.00 0.00 WAT +ATOM 51461 OH2 TIP3 15051 38.631 17.189 13.506 1.00 0.00 WAT +ATOM 51462 H1 TIP3 15051 38.202 16.817 14.298 1.00 0.00 WAT +ATOM 51463 H2 TIP3 15051 37.876 17.366 12.929 1.00 0.00 WAT +ATOM 51464 OH2 TIP3 15052 31.996 17.051 20.575 1.00 0.00 WAT +ATOM 51465 H1 TIP3 15052 32.614 17.007 21.327 1.00 0.00 WAT +ATOM 51466 H2 TIP3 15052 32.497 16.666 19.840 1.00 0.00 WAT +ATOM 51467 OH2 TIP3 15053 33.613 17.491 16.293 1.00 0.00 WAT +ATOM 51468 H1 TIP3 15053 34.131 17.975 15.617 1.00 0.00 WAT +ATOM 51469 H2 TIP3 15053 32.895 18.127 16.461 1.00 0.00 WAT +ATOM 51470 OH2 TIP3 15054 43.530 20.694 26.293 1.00 0.00 WAT +ATOM 51471 H1 TIP3 15054 43.699 20.128 25.512 1.00 0.00 WAT +ATOM 51472 H2 TIP3 15054 42.713 20.296 26.633 1.00 0.00 WAT +ATOM 51473 OH2 TIP3 15055 40.455 16.727 21.201 1.00 0.00 WAT +ATOM 51474 H1 TIP3 15055 39.519 16.978 21.284 1.00 0.00 WAT +ATOM 51475 H2 TIP3 15055 40.856 17.370 21.825 1.00 0.00 WAT +ATOM 51476 OH2 TIP3 15056 35.072 18.310 19.680 1.00 0.00 WAT +ATOM 51477 H1 TIP3 15056 34.261 18.603 19.223 1.00 0.00 WAT +ATOM 51478 H2 TIP3 15056 35.339 17.521 19.177 1.00 0.00 WAT +ATOM 51479 OH2 TIP3 15057 38.755 18.596 17.312 1.00 0.00 WAT +ATOM 51480 H1 TIP3 15057 39.692 18.834 17.377 1.00 0.00 WAT +ATOM 51481 H2 TIP3 15057 38.412 19.206 16.632 1.00 0.00 WAT +ATOM 51482 OH2 TIP3 15058 37.235 19.855 15.135 1.00 0.00 WAT +ATOM 51483 H1 TIP3 15058 36.608 19.631 14.428 1.00 0.00 WAT +ATOM 51484 H2 TIP3 15058 38.033 20.045 14.615 1.00 0.00 WAT +ATOM 51485 OH2 TIP3 15059 35.790 24.650 30.089 1.00 0.00 WAT +ATOM 51486 H1 TIP3 15059 36.503 24.713 30.758 1.00 0.00 WAT +ATOM 51487 H2 TIP3 15059 35.015 24.576 30.677 1.00 0.00 WAT +ATOM 51488 OH2 TIP3 15060 41.420 18.984 22.444 1.00 0.00 WAT +ATOM 51489 H1 TIP3 15060 42.317 19.013 22.091 1.00 0.00 WAT +ATOM 51490 H2 TIP3 15060 41.604 19.168 23.379 1.00 0.00 WAT +ATOM 51491 OH2 TIP3 15061 36.866 16.016 19.048 1.00 0.00 WAT +ATOM 51492 H1 TIP3 15061 36.251 15.267 19.132 1.00 0.00 WAT +ATOM 51493 H2 TIP3 15061 37.556 15.666 18.474 1.00 0.00 WAT +ATOM 51494 OH2 TIP3 15062 40.488 17.954 25.147 1.00 0.00 WAT +ATOM 51495 H1 TIP3 15062 39.806 18.622 24.961 1.00 0.00 WAT +ATOM 51496 H2 TIP3 15062 40.987 18.367 25.877 1.00 0.00 WAT +ATOM 51497 OH2 TIP3 15063 40.721 24.329 16.999 1.00 0.00 WAT +ATOM 51498 H1 TIP3 15063 39.936 23.868 16.638 1.00 0.00 WAT +ATOM 51499 H2 TIP3 15063 40.489 24.434 17.953 1.00 0.00 WAT +ATOM 51500 OH2 TIP3 15064 35.792 23.878 22.795 1.00 0.00 WAT +ATOM 51501 H1 TIP3 15064 36.348 23.778 22.004 1.00 0.00 WAT +ATOM 51502 H2 TIP3 15064 35.892 23.012 23.220 1.00 0.00 WAT +ATOM 51503 OH2 TIP3 15065 42.872 25.751 15.972 1.00 0.00 WAT +ATOM 51504 H1 TIP3 15065 42.596 26.642 16.270 1.00 0.00 WAT +ATOM 51505 H2 TIP3 15065 42.113 25.220 16.294 1.00 0.00 WAT +ATOM 51506 OH2 TIP3 15066 33.029 22.149 28.063 1.00 0.00 WAT +ATOM 51507 H1 TIP3 15066 33.200 21.687 28.908 1.00 0.00 WAT +ATOM 51508 H2 TIP3 15066 32.428 21.543 27.599 1.00 0.00 WAT +ATOM 51509 OH2 TIP3 15067 40.013 21.523 30.109 1.00 0.00 WAT +ATOM 51510 H1 TIP3 15067 39.677 21.352 29.214 1.00 0.00 WAT +ATOM 51511 H2 TIP3 15067 40.974 21.446 29.974 1.00 0.00 WAT +ATOM 51512 OH2 TIP3 15068 38.138 27.145 20.027 1.00 0.00 WAT +ATOM 51513 H1 TIP3 15068 38.575 28.005 19.921 1.00 0.00 WAT +ATOM 51514 H2 TIP3 15068 37.227 27.351 19.785 1.00 0.00 WAT +ATOM 51515 OH2 TIP3 15069 34.159 21.944 14.660 1.00 0.00 WAT +ATOM 51516 H1 TIP3 15069 34.727 22.632 15.051 1.00 0.00 WAT +ATOM 51517 H2 TIP3 15069 33.279 22.215 14.985 1.00 0.00 WAT +ATOM 51518 OH2 TIP3 15070 39.942 24.831 19.618 1.00 0.00 WAT +ATOM 51519 H1 TIP3 15070 39.686 25.748 19.808 1.00 0.00 WAT +ATOM 51520 H2 TIP3 15070 39.248 24.342 20.085 1.00 0.00 WAT +ATOM 51521 OH2 TIP3 15071 40.159 29.156 26.079 1.00 0.00 WAT +ATOM 51522 H1 TIP3 15071 40.902 29.735 25.819 1.00 0.00 WAT +ATOM 51523 H2 TIP3 15071 40.610 28.487 26.640 1.00 0.00 WAT +ATOM 51524 OH2 TIP3 15072 38.595 30.051 19.275 1.00 0.00 WAT +ATOM 51525 H1 TIP3 15072 37.640 30.213 19.339 1.00 0.00 WAT +ATOM 51526 H2 TIP3 15072 38.962 30.931 19.483 1.00 0.00 WAT +ATOM 51527 OH2 TIP3 15073 34.376 16.772 27.637 1.00 0.00 WAT +ATOM 51528 H1 TIP3 15073 33.466 17.040 27.405 1.00 0.00 WAT +ATOM 51529 H2 TIP3 15073 34.225 15.912 28.069 1.00 0.00 WAT +ATOM 51530 OH2 TIP3 15074 34.103 28.595 26.059 1.00 0.00 WAT +ATOM 51531 H1 TIP3 15074 34.416 27.677 26.083 1.00 0.00 WAT +ATOM 51532 H2 TIP3 15074 34.433 28.894 26.914 1.00 0.00 WAT +ATOM 51533 OH2 TIP3 15075 39.944 27.242 13.092 1.00 0.00 WAT +ATOM 51534 H1 TIP3 15075 40.284 26.482 12.583 1.00 0.00 WAT +ATOM 51535 H2 TIP3 15075 39.566 26.791 13.866 1.00 0.00 WAT +ATOM 51536 OH2 TIP3 15076 38.860 26.665 15.839 1.00 0.00 WAT +ATOM 51537 H1 TIP3 15076 39.343 26.164 16.509 1.00 0.00 WAT +ATOM 51538 H2 TIP3 15076 38.987 27.588 16.139 1.00 0.00 WAT +ATOM 51539 OH2 TIP3 15077 35.664 24.153 16.195 1.00 0.00 WAT +ATOM 51540 H1 TIP3 15077 34.935 24.542 16.718 1.00 0.00 WAT +ATOM 51541 H2 TIP3 15077 36.131 24.956 15.907 1.00 0.00 WAT +ATOM 51542 OH2 TIP3 15078 43.336 17.070 26.711 1.00 0.00 WAT +ATOM 51543 H1 TIP3 15078 44.042 16.421 26.787 1.00 0.00 WAT +ATOM 51544 H2 TIP3 15078 42.669 16.589 26.207 1.00 0.00 WAT +ATOM 51545 OH2 TIP3 15079 41.694 28.342 16.361 1.00 0.00 WAT +ATOM 51546 H1 TIP3 15079 40.885 28.842 16.566 1.00 0.00 WAT +ATOM 51547 H2 TIP3 15079 42.091 28.886 15.675 1.00 0.00 WAT +ATOM 51548 OH2 TIP3 15080 41.471 17.929 18.425 1.00 0.00 WAT +ATOM 51549 H1 TIP3 15080 41.938 18.785 18.563 1.00 0.00 WAT +ATOM 51550 H2 TIP3 15080 41.117 17.818 19.319 1.00 0.00 WAT +ATOM 51551 OH2 TIP3 15081 41.630 18.946 27.598 1.00 0.00 WAT +ATOM 51552 H1 TIP3 15081 41.804 19.475 28.386 1.00 0.00 WAT +ATOM 51553 H2 TIP3 15081 42.345 18.276 27.617 1.00 0.00 WAT +ATOM 51554 OH2 TIP3 15082 41.889 15.001 19.601 1.00 0.00 WAT +ATOM 51555 H1 TIP3 15082 41.690 15.816 20.114 1.00 0.00 WAT +ATOM 51556 H2 TIP3 15082 42.726 15.261 19.170 1.00 0.00 WAT +ATOM 51557 OH2 TIP3 15083 38.942 29.397 16.415 1.00 0.00 WAT +ATOM 51558 H1 TIP3 15083 38.904 30.209 15.869 1.00 0.00 WAT +ATOM 51559 H2 TIP3 15083 38.823 29.752 17.315 1.00 0.00 WAT +ATOM 51560 OH2 TIP3 15084 37.679 16.075 15.905 1.00 0.00 WAT +ATOM 51561 H1 TIP3 15084 37.719 16.882 16.446 1.00 0.00 WAT +ATOM 51562 H2 TIP3 15084 38.527 15.646 16.114 1.00 0.00 WAT +ATOM 51563 OH2 TIP3 15085 36.109 26.962 14.965 1.00 0.00 WAT +ATOM 51564 H1 TIP3 15085 36.845 27.456 15.363 1.00 0.00 WAT +ATOM 51565 H2 TIP3 15085 36.598 26.462 14.293 1.00 0.00 WAT +ATOM 51566 OH2 TIP3 15086 34.235 19.150 14.097 1.00 0.00 WAT +ATOM 51567 H1 TIP3 15086 34.345 20.096 14.309 1.00 0.00 WAT +ATOM 51568 H2 TIP3 15086 33.386 19.145 13.638 1.00 0.00 WAT +ATOM 51569 OH2 TIP3 15087 35.310 14.163 22.856 1.00 0.00 WAT +ATOM 51570 H1 TIP3 15087 35.057 14.192 21.911 1.00 0.00 WAT +ATOM 51571 H2 TIP3 15087 34.875 13.353 23.173 1.00 0.00 WAT +ATOM 51572 OH2 TIP3 15088 34.066 27.691 19.150 1.00 0.00 WAT +ATOM 51573 H1 TIP3 15088 33.272 28.194 19.380 1.00 0.00 WAT +ATOM 51574 H2 TIP3 15088 34.416 28.206 18.407 1.00 0.00 WAT +ATOM 51575 OH2 TIP3 15089 33.428 30.601 30.310 1.00 0.00 WAT +ATOM 51576 H1 TIP3 15089 34.066 30.268 30.969 1.00 0.00 WAT +ATOM 51577 H2 TIP3 15089 33.080 29.754 29.964 1.00 0.00 WAT +ATOM 51578 OH2 TIP3 15090 38.335 29.822 31.976 1.00 0.00 WAT +ATOM 51579 H1 TIP3 15090 38.839 29.036 32.265 1.00 0.00 WAT +ATOM 51580 H2 TIP3 15090 37.978 29.458 31.137 1.00 0.00 WAT +ATOM 51581 OH2 TIP3 15091 42.304 28.880 13.412 1.00 0.00 WAT +ATOM 51582 H1 TIP3 15091 41.469 28.366 13.406 1.00 0.00 WAT +ATOM 51583 H2 TIP3 15091 42.933 28.153 13.262 1.00 0.00 WAT +ATOM 51584 OH2 TIP3 15092 33.394 24.236 31.416 1.00 0.00 WAT +ATOM 51585 H1 TIP3 15092 33.514 23.323 31.104 1.00 0.00 WAT +ATOM 51586 H2 TIP3 15092 32.642 24.519 30.859 1.00 0.00 WAT +ATOM 51587 OH2 TIP3 15093 37.626 24.650 13.420 1.00 0.00 WAT +ATOM 51588 H1 TIP3 15093 37.794 24.053 14.168 1.00 0.00 WAT +ATOM 51589 H2 TIP3 15093 38.481 24.609 12.954 1.00 0.00 WAT +ATOM 51590 OH2 TIP3 15094 39.812 24.435 30.711 1.00 0.00 WAT +ATOM 51591 H1 TIP3 15094 40.081 24.847 29.867 1.00 0.00 WAT +ATOM 51592 H2 TIP3 15094 40.124 23.521 30.586 1.00 0.00 WAT +ATOM 51593 OH2 TIP3 15095 42.616 25.964 12.975 1.00 0.00 WAT +ATOM 51594 H1 TIP3 15095 42.764 26.062 13.931 1.00 0.00 WAT +ATOM 51595 H2 TIP3 15095 42.432 25.012 12.911 1.00 0.00 WAT +ATOM 51596 OH2 TIP3 15096 34.269 21.358 30.580 1.00 0.00 WAT +ATOM 51597 H1 TIP3 15096 35.000 20.717 30.576 1.00 0.00 WAT +ATOM 51598 H2 TIP3 15096 34.216 21.557 31.529 1.00 0.00 WAT +ATOM 51599 OH2 TIP3 15097 38.707 22.704 15.735 1.00 0.00 WAT +ATOM 51600 H1 TIP3 15097 38.084 22.204 16.282 1.00 0.00 WAT +ATOM 51601 H2 TIP3 15097 39.024 22.013 15.119 1.00 0.00 WAT +ATOM 51602 OH2 TIP3 15098 37.953 20.511 28.023 1.00 0.00 WAT +ATOM 51603 H1 TIP3 15098 37.390 21.282 28.225 1.00 0.00 WAT +ATOM 51604 H2 TIP3 15098 38.503 20.859 27.306 1.00 0.00 WAT +ATOM 51605 OH2 TIP3 15099 39.790 20.713 14.041 1.00 0.00 WAT +ATOM 51606 H1 TIP3 15099 39.691 20.779 13.073 1.00 0.00 WAT +ATOM 51607 H2 TIP3 15099 40.746 20.845 14.143 1.00 0.00 WAT +ATOM 51608 OH2 TIP3 15100 42.750 22.977 31.760 1.00 0.00 WAT +ATOM 51609 H1 TIP3 15100 43.504 22.789 31.195 1.00 0.00 WAT +ATOM 51610 H2 TIP3 15100 42.683 22.147 32.261 1.00 0.00 WAT +ATOM 51611 OH2 TIP3 15101 38.582 17.799 29.168 1.00 0.00 WAT +ATOM 51612 H1 TIP3 15101 38.615 17.143 28.451 1.00 0.00 WAT +ATOM 51613 H2 TIP3 15101 38.381 18.615 28.676 1.00 0.00 WAT +ATOM 51614 OH2 TIP3 15102 38.868 16.210 26.571 1.00 0.00 WAT +ATOM 51615 H1 TIP3 15102 39.359 16.827 25.987 1.00 0.00 WAT +ATOM 51616 H2 TIP3 15102 37.953 16.255 26.219 1.00 0.00 WAT +ATOM 51617 OH2 TIP3 15103 40.731 21.707 26.939 1.00 0.00 WAT +ATOM 51618 H1 TIP3 15103 41.340 21.670 26.192 1.00 0.00 WAT +ATOM 51619 H2 TIP3 15103 40.254 22.533 26.748 1.00 0.00 WAT +ATOM 51620 OH2 TIP3 15104 36.745 19.606 30.971 1.00 0.00 WAT +ATOM 51621 H1 TIP3 15104 36.203 18.797 30.936 1.00 0.00 WAT +ATOM 51622 H2 TIP3 15104 37.543 19.333 30.493 1.00 0.00 WAT +ATOM 51623 OH2 TIP3 15105 39.727 13.613 26.932 1.00 0.00 WAT +ATOM 51624 H1 TIP3 15105 39.481 14.552 26.779 1.00 0.00 WAT +ATOM 51625 H2 TIP3 15105 39.042 13.157 26.409 1.00 0.00 WAT +ATOM 51626 OH2 TIP3 15106 41.062 18.051 30.712 1.00 0.00 WAT +ATOM 51627 H1 TIP3 15106 40.640 17.834 31.559 1.00 0.00 WAT +ATOM 51628 H2 TIP3 15106 40.322 17.856 30.105 1.00 0.00 WAT +ATOM 51629 OH2 TIP3 15107 35.386 17.082 30.764 1.00 0.00 WAT +ATOM 51630 H1 TIP3 15107 35.304 16.366 30.114 1.00 0.00 WAT +ATOM 51631 H2 TIP3 15107 35.179 16.615 31.596 1.00 0.00 WAT +ATOM 51632 OH2 TIP3 15108 39.441 13.075 29.787 1.00 0.00 WAT +ATOM 51633 H1 TIP3 15108 40.045 12.321 29.834 1.00 0.00 WAT +ATOM 51634 H2 TIP3 15108 39.415 13.238 28.826 1.00 0.00 WAT +ATOM 51635 OH2 TIP3 15109 40.361 14.883 31.718 1.00 0.00 WAT +ATOM 51636 H1 TIP3 15109 40.054 14.334 30.969 1.00 0.00 WAT +ATOM 51637 H2 TIP3 15109 39.730 15.622 31.704 1.00 0.00 WAT +ATOM 51638 OH2 TIP3 15110 39.562 31.941 15.128 1.00 0.00 WAT +ATOM 51639 H1 TIP3 15110 40.522 32.022 15.195 1.00 0.00 WAT +ATOM 51640 H2 TIP3 15110 39.399 32.428 14.308 1.00 0.00 WAT +ATOM 51641 OH2 TIP3 15111 33.342 26.369 14.653 1.00 0.00 WAT +ATOM 51642 H1 TIP3 15111 34.298 26.547 14.779 1.00 0.00 WAT +ATOM 51643 H2 TIP3 15111 33.355 25.583 14.071 1.00 0.00 WAT +ATOM 51644 OH2 TIP3 15112 32.333 31.574 19.377 1.00 0.00 WAT +ATOM 51645 H1 TIP3 15112 31.625 31.190 18.823 1.00 0.00 WAT +ATOM 51646 H2 TIP3 15112 32.442 30.880 20.057 1.00 0.00 WAT +ATOM 51647 OH2 TIP3 15113 32.721 29.586 21.354 1.00 0.00 WAT +ATOM 51648 H1 TIP3 15113 32.443 28.710 21.674 1.00 0.00 WAT +ATOM 51649 H2 TIP3 15113 33.020 29.965 22.191 1.00 0.00 WAT +ATOM 51650 OH2 TIP3 15114 32.805 22.918 23.764 1.00 0.00 WAT +ATOM 51651 H1 TIP3 15114 33.058 22.980 22.827 1.00 0.00 WAT +ATOM 51652 H2 TIP3 15114 33.674 22.712 24.168 1.00 0.00 WAT +ATOM 51653 OH2 TIP3 15115 32.727 18.276 30.143 1.00 0.00 WAT +ATOM 51654 H1 TIP3 15115 33.660 18.007 30.219 1.00 0.00 WAT +ATOM 51655 H2 TIP3 15115 32.272 17.421 30.240 1.00 0.00 WAT +ATOM 51656 OH2 TIP3 15116 33.508 16.584 22.959 1.00 0.00 WAT +ATOM 51657 H1 TIP3 15116 33.989 15.750 23.075 1.00 0.00 WAT +ATOM 51658 H2 TIP3 15116 34.154 17.219 23.321 1.00 0.00 WAT +ATOM 51659 OH2 TIP3 15117 32.048 19.271 24.030 1.00 0.00 WAT +ATOM 51660 H1 TIP3 15117 32.602 19.275 23.232 1.00 0.00 WAT +ATOM 51661 H2 TIP3 15117 32.383 20.053 24.487 1.00 0.00 WAT +ATOM 51662 OH2 TIP3 15118 32.524 15.626 18.081 1.00 0.00 WAT +ATOM 51663 H1 TIP3 15118 31.574 15.668 17.876 1.00 0.00 WAT +ATOM 51664 H2 TIP3 15118 32.918 16.230 17.421 1.00 0.00 WAT +ATOM 51665 OH2 TIP3 15119 32.552 14.481 26.212 1.00 0.00 WAT +ATOM 51666 H1 TIP3 15119 31.849 14.250 26.833 1.00 0.00 WAT +ATOM 51667 H2 TIP3 15119 32.070 15.054 25.585 1.00 0.00 WAT +ATOM 51668 OH2 TIP3 15120 34.522 27.766 30.930 1.00 0.00 WAT +ATOM 51669 H1 TIP3 15120 33.910 27.537 30.216 1.00 0.00 WAT +ATOM 51670 H2 TIP3 15120 34.056 27.454 31.717 1.00 0.00 WAT +ATOM 51671 OH2 TIP3 15121 37.362 28.699 26.485 1.00 0.00 WAT +ATOM 51672 H1 TIP3 15121 37.159 29.603 26.229 1.00 0.00 WAT +ATOM 51673 H2 TIP3 15121 38.338 28.704 26.412 1.00 0.00 WAT +ATOM 51674 OH2 TIP3 15122 41.949 30.344 29.487 1.00 0.00 WAT +ATOM 51675 H1 TIP3 15122 41.727 29.469 29.844 1.00 0.00 WAT +ATOM 51676 H2 TIP3 15122 42.880 30.211 29.266 1.00 0.00 WAT +ATOM 51677 OH2 TIP3 15123 34.856 31.695 26.876 1.00 0.00 WAT +ATOM 51678 H1 TIP3 15123 34.129 32.174 26.438 1.00 0.00 WAT +ATOM 51679 H2 TIP3 15123 34.447 31.501 27.726 1.00 0.00 WAT +ATOM 51680 OH2 TIP3 15124 37.374 31.999 25.301 1.00 0.00 WAT +ATOM 51681 H1 TIP3 15124 36.614 31.645 25.801 1.00 0.00 WAT +ATOM 51682 H2 TIP3 15124 36.970 32.120 24.428 1.00 0.00 WAT +ATOM 51683 OH2 TIP3 15125 41.893 31.217 25.018 1.00 0.00 WAT +ATOM 51684 H1 TIP3 15125 41.802 31.709 24.192 1.00 0.00 WAT +ATOM 51685 H2 TIP3 15125 42.657 31.645 25.424 1.00 0.00 WAT +ATOM 51686 OH2 TIP3 15126 34.477 30.462 23.898 1.00 0.00 WAT +ATOM 51687 H1 TIP3 15126 34.363 29.891 24.688 1.00 0.00 WAT +ATOM 51688 H2 TIP3 15126 35.105 29.919 23.375 1.00 0.00 WAT +ATOM 51689 OH2 TIP3 15127 36.351 29.056 22.367 1.00 0.00 WAT +ATOM 51690 H1 TIP3 15127 36.216 28.116 22.614 1.00 0.00 WAT +ATOM 51691 H2 TIP3 15127 37.283 29.184 22.632 1.00 0.00 WAT +ATOM 51692 OH2 TIP3 15128 39.102 29.591 23.245 1.00 0.00 WAT +ATOM 51693 H1 TIP3 15128 39.342 28.703 22.925 1.00 0.00 WAT +ATOM 51694 H2 TIP3 15128 39.321 29.491 24.188 1.00 0.00 WAT +ATOM 51695 OH2 TIP3 15129 42.499 14.626 22.637 1.00 0.00 WAT +ATOM 51696 H1 TIP3 15129 41.647 15.070 22.583 1.00 0.00 WAT +ATOM 51697 H2 TIP3 15129 42.973 15.044 21.903 1.00 0.00 WAT +ATOM 51698 OH2 TIP3 15130 34.812 14.155 20.046 1.00 0.00 WAT +ATOM 51699 H1 TIP3 15130 33.947 14.049 19.600 1.00 0.00 WAT +ATOM 51700 H2 TIP3 15130 35.208 13.279 19.899 1.00 0.00 WAT +ATOM 51701 OH2 TIP3 15131 33.673 13.629 15.946 1.00 0.00 WAT +ATOM 51702 H1 TIP3 15131 34.129 14.297 15.398 1.00 0.00 WAT +ATOM 51703 H2 TIP3 15131 33.192 14.184 16.580 1.00 0.00 WAT +ATOM 51704 OH2 TIP3 15132 39.419 13.812 20.119 1.00 0.00 WAT +ATOM 51705 H1 TIP3 15132 40.193 14.392 19.975 1.00 0.00 WAT +ATOM 51706 H2 TIP3 15132 39.104 14.108 20.982 1.00 0.00 WAT +ATOM 51707 OH2 TIP3 15133 33.805 29.606 17.088 1.00 0.00 WAT +ATOM 51708 H1 TIP3 15133 33.171 29.471 16.366 1.00 0.00 WAT +ATOM 51709 H2 TIP3 15133 33.780 30.571 17.158 1.00 0.00 WAT +ATOM 51710 OH2 TIP3 15134 35.319 15.450 14.353 1.00 0.00 WAT +ATOM 51711 H1 TIP3 15134 35.935 14.919 13.818 1.00 0.00 WAT +ATOM 51712 H2 TIP3 15134 35.916 15.799 15.041 1.00 0.00 WAT +ATOM 51713 OH2 TIP3 15135 40.614 15.652 16.943 1.00 0.00 WAT +ATOM 51714 H1 TIP3 15135 40.689 15.098 17.733 1.00 0.00 WAT +ATOM 51715 H2 TIP3 15135 40.598 16.543 17.333 1.00 0.00 WAT +ATOM 51716 OH2 TIP3 15136 42.645 31.232 15.184 1.00 0.00 WAT +ATOM 51717 H1 TIP3 15136 43.514 31.619 14.983 1.00 0.00 WAT +ATOM 51718 H2 TIP3 15136 42.483 30.663 14.410 1.00 0.00 WAT +ATOM 51719 OH2 TIP3 15137 34.613 14.388 29.546 1.00 0.00 WAT +ATOM 51720 H1 TIP3 15137 34.195 13.593 29.923 1.00 0.00 WAT +ATOM 51721 H2 TIP3 15137 35.530 14.266 29.842 1.00 0.00 WAT +ATOM 51722 OH2 TIP3 15138 36.989 13.773 31.301 1.00 0.00 WAT +ATOM 51723 H1 TIP3 15138 37.812 13.410 30.917 1.00 0.00 WAT +ATOM 51724 H2 TIP3 15138 36.622 12.984 31.733 1.00 0.00 WAT +ATOM 51725 OH2 TIP3 15139 35.233 30.554 13.873 1.00 0.00 WAT +ATOM 51726 H1 TIP3 15139 34.998 30.827 14.772 1.00 0.00 WAT +ATOM 51727 H2 TIP3 15139 36.001 29.979 14.019 1.00 0.00 WAT +ATOM 51728 OH2 TIP3 15140 -31.591 42.021 20.120 1.00 0.00 WAT +ATOM 51729 H1 TIP3 15140 -31.867 42.947 20.126 1.00 0.00 WAT +ATOM 51730 H2 TIP3 15140 -32.334 41.616 19.651 1.00 0.00 WAT +ATOM 51731 OH2 TIP3 15141 -32.795 41.326 23.399 1.00 0.00 WAT +ATOM 51732 H1 TIP3 15141 -32.750 40.796 24.211 1.00 0.00 WAT +ATOM 51733 H2 TIP3 15141 -33.038 40.679 22.729 1.00 0.00 WAT +ATOM 51734 OH2 TIP3 15142 -40.209 40.749 24.965 1.00 0.00 WAT +ATOM 51735 H1 TIP3 15142 -40.335 40.076 25.655 1.00 0.00 WAT +ATOM 51736 H2 TIP3 15142 -39.697 41.401 25.463 1.00 0.00 WAT +ATOM 51737 OH2 TIP3 15143 -42.115 39.032 17.847 1.00 0.00 WAT +ATOM 51738 H1 TIP3 15143 -42.446 39.883 18.167 1.00 0.00 WAT +ATOM 51739 H2 TIP3 15143 -42.935 38.542 17.704 1.00 0.00 WAT +ATOM 51740 OH2 TIP3 15144 -41.939 41.204 20.516 1.00 0.00 WAT +ATOM 51741 H1 TIP3 15144 -41.952 40.575 21.251 1.00 0.00 WAT +ATOM 51742 H2 TIP3 15144 -41.003 41.434 20.512 1.00 0.00 WAT +ATOM 51743 OH2 TIP3 15145 -25.595 35.208 24.581 1.00 0.00 WAT +ATOM 51744 H1 TIP3 15145 -25.363 35.840 25.283 1.00 0.00 WAT +ATOM 51745 H2 TIP3 15145 -24.997 35.508 23.871 1.00 0.00 WAT +ATOM 51746 OH2 TIP3 15146 -30.955 38.025 24.450 1.00 0.00 WAT +ATOM 51747 H1 TIP3 15146 -30.837 37.063 24.492 1.00 0.00 WAT +ATOM 51748 H2 TIP3 15146 -31.030 38.172 23.496 1.00 0.00 WAT +ATOM 51749 OH2 TIP3 15147 -37.959 36.051 21.515 1.00 0.00 WAT +ATOM 51750 H1 TIP3 15147 -37.844 36.919 21.078 1.00 0.00 WAT +ATOM 51751 H2 TIP3 15147 -38.355 35.543 20.779 1.00 0.00 WAT +ATOM 51752 OH2 TIP3 15148 -30.300 35.972 19.607 1.00 0.00 WAT +ATOM 51753 H1 TIP3 15148 -29.664 35.685 20.288 1.00 0.00 WAT +ATOM 51754 H2 TIP3 15148 -29.758 36.540 19.043 1.00 0.00 WAT +ATOM 51755 OH2 TIP3 15149 -41.448 38.735 22.026 1.00 0.00 WAT +ATOM 51756 H1 TIP3 15149 -40.803 38.433 22.687 1.00 0.00 WAT +ATOM 51757 H2 TIP3 15149 -41.171 38.215 21.250 1.00 0.00 WAT +ATOM 51758 OH2 TIP3 15150 -35.874 40.175 21.484 1.00 0.00 WAT +ATOM 51759 H1 TIP3 15150 -35.205 39.589 21.893 1.00 0.00 WAT +ATOM 51760 H2 TIP3 15150 -36.451 39.527 21.041 1.00 0.00 WAT +ATOM 51761 OH2 TIP3 15151 -24.871 36.588 27.063 1.00 0.00 WAT +ATOM 51762 H1 TIP3 15151 -25.437 37.322 26.762 1.00 0.00 WAT +ATOM 51763 H2 TIP3 15151 -25.075 36.582 28.008 1.00 0.00 WAT +ATOM 51764 OH2 TIP3 15152 -39.192 34.854 25.681 1.00 0.00 WAT +ATOM 51765 H1 TIP3 15152 -39.602 35.375 24.975 1.00 0.00 WAT +ATOM 51766 H2 TIP3 15152 -39.813 35.035 26.419 1.00 0.00 WAT +ATOM 51767 OH2 TIP3 15153 -36.465 42.660 25.461 1.00 0.00 WAT +ATOM 51768 H1 TIP3 15153 -37.283 43.172 25.557 1.00 0.00 WAT +ATOM 51769 H2 TIP3 15153 -35.822 43.381 25.394 1.00 0.00 WAT +ATOM 51770 OH2 TIP3 15154 -28.388 35.440 21.832 1.00 0.00 WAT +ATOM 51771 H1 TIP3 15154 -28.811 34.945 22.545 1.00 0.00 WAT +ATOM 51772 H2 TIP3 15154 -27.861 36.087 22.333 1.00 0.00 WAT +ATOM 51773 OH2 TIP3 15155 -39.586 36.892 23.619 1.00 0.00 WAT +ATOM 51774 H1 TIP3 15155 -38.969 37.483 24.100 1.00 0.00 WAT +ATOM 51775 H2 TIP3 15155 -38.992 36.544 22.919 1.00 0.00 WAT +ATOM 51776 OH2 TIP3 15156 -28.192 34.557 25.699 1.00 0.00 WAT +ATOM 51777 H1 TIP3 15156 -28.954 35.009 25.296 1.00 0.00 WAT +ATOM 51778 H2 TIP3 15156 -27.464 34.810 25.100 1.00 0.00 WAT +ATOM 51779 OH2 TIP3 15157 -35.034 32.326 22.765 1.00 0.00 WAT +ATOM 51780 H1 TIP3 15157 -35.299 31.388 22.735 1.00 0.00 WAT +ATOM 51781 H2 TIP3 15157 -35.845 32.744 23.129 1.00 0.00 WAT +ATOM 51782 OH2 TIP3 15158 -33.077 41.426 17.509 1.00 0.00 WAT +ATOM 51783 H1 TIP3 15158 -33.717 41.786 16.883 1.00 0.00 WAT +ATOM 51784 H2 TIP3 15158 -32.287 41.355 16.941 1.00 0.00 WAT +ATOM 51785 OH2 TIP3 15159 -32.685 39.408 14.707 1.00 0.00 WAT +ATOM 51786 H1 TIP3 15159 -31.972 39.804 15.244 1.00 0.00 WAT +ATOM 51787 H2 TIP3 15159 -32.164 38.897 14.072 1.00 0.00 WAT +ATOM 51788 OH2 TIP3 15160 -25.551 40.547 25.755 1.00 0.00 WAT +ATOM 51789 H1 TIP3 15160 -26.204 41.270 25.886 1.00 0.00 WAT +ATOM 51790 H2 TIP3 15160 -25.039 40.943 25.018 1.00 0.00 WAT +ATOM 51791 OH2 TIP3 15161 -29.372 41.386 18.516 1.00 0.00 WAT +ATOM 51792 H1 TIP3 15161 -30.009 41.622 19.218 1.00 0.00 WAT +ATOM 51793 H2 TIP3 15161 -28.689 40.899 19.014 1.00 0.00 WAT +ATOM 51794 OH2 TIP3 15162 -29.626 39.801 27.444 1.00 0.00 WAT +ATOM 51795 H1 TIP3 15162 -29.599 40.562 28.046 1.00 0.00 WAT +ATOM 51796 H2 TIP3 15162 -30.179 40.182 26.737 1.00 0.00 WAT +ATOM 51797 OH2 TIP3 15163 -37.709 42.173 20.416 1.00 0.00 WAT +ATOM 51798 H1 TIP3 15163 -37.994 41.826 19.552 1.00 0.00 WAT +ATOM 51799 H2 TIP3 15163 -37.015 41.541 20.669 1.00 0.00 WAT +ATOM 51800 OH2 TIP3 15164 -37.293 40.734 23.804 1.00 0.00 WAT +ATOM 51801 H1 TIP3 15164 -36.673 40.786 23.053 1.00 0.00 WAT +ATOM 51802 H2 TIP3 15164 -36.967 41.439 24.402 1.00 0.00 WAT +ATOM 51803 OH2 TIP3 15165 -30.584 40.804 16.137 1.00 0.00 WAT +ATOM 51804 H1 TIP3 15165 -29.990 41.020 16.893 1.00 0.00 WAT +ATOM 51805 H2 TIP3 15165 -30.074 41.223 15.395 1.00 0.00 WAT +ATOM 51806 OH2 TIP3 15166 -39.495 41.501 27.778 1.00 0.00 WAT +ATOM 51807 H1 TIP3 15166 -39.489 42.047 28.595 1.00 0.00 WAT +ATOM 51808 H2 TIP3 15166 -40.462 41.421 27.658 1.00 0.00 WAT +ATOM 51809 OH2 TIP3 15167 -27.254 32.551 15.463 1.00 0.00 WAT +ATOM 51810 H1 TIP3 15167 -27.937 32.619 16.134 1.00 0.00 WAT +ATOM 51811 H2 TIP3 15167 -26.767 33.384 15.576 1.00 0.00 WAT +ATOM 51812 OH2 TIP3 15168 -38.942 40.846 17.939 1.00 0.00 WAT +ATOM 51813 H1 TIP3 15168 -39.113 41.644 17.398 1.00 0.00 WAT +ATOM 51814 H2 TIP3 15168 -39.640 40.246 17.641 1.00 0.00 WAT +ATOM 51815 OH2 TIP3 15169 -42.214 42.638 26.687 1.00 0.00 WAT +ATOM 51816 H1 TIP3 15169 -42.573 43.201 25.986 1.00 0.00 WAT +ATOM 51817 H2 TIP3 15169 -42.873 42.685 27.389 1.00 0.00 WAT +ATOM 51818 OH2 TIP3 15170 -27.628 38.375 29.778 1.00 0.00 WAT +ATOM 51819 H1 TIP3 15170 -28.151 38.755 29.059 1.00 0.00 WAT +ATOM 51820 H2 TIP3 15170 -27.587 37.436 29.513 1.00 0.00 WAT +ATOM 51821 OH2 TIP3 15171 -37.477 33.476 23.651 1.00 0.00 WAT +ATOM 51822 H1 TIP3 15171 -38.334 33.397 23.191 1.00 0.00 WAT +ATOM 51823 H2 TIP3 15171 -37.679 34.209 24.256 1.00 0.00 WAT +ATOM 51824 OH2 TIP3 15172 -33.109 33.032 27.294 1.00 0.00 WAT +ATOM 51825 H1 TIP3 15172 -32.604 32.544 27.970 1.00 0.00 WAT +ATOM 51826 H2 TIP3 15172 -34.030 32.751 27.455 1.00 0.00 WAT +ATOM 51827 OH2 TIP3 15173 -29.943 36.848 27.834 1.00 0.00 WAT +ATOM 51828 H1 TIP3 15173 -30.545 36.704 28.587 1.00 0.00 WAT +ATOM 51829 H2 TIP3 15173 -30.019 37.806 27.672 1.00 0.00 WAT +ATOM 51830 OH2 TIP3 15174 -29.097 41.747 14.100 1.00 0.00 WAT +ATOM 51831 H1 TIP3 15174 -29.145 41.590 13.144 1.00 0.00 WAT +ATOM 51832 H2 TIP3 15174 -28.217 42.187 14.129 1.00 0.00 WAT +ATOM 51833 OH2 TIP3 15175 -33.320 35.444 14.595 1.00 0.00 WAT +ATOM 51834 H1 TIP3 15175 -33.980 35.633 15.271 1.00 0.00 WAT +ATOM 51835 H2 TIP3 15175 -33.832 34.927 13.946 1.00 0.00 WAT +ATOM 51836 OH2 TIP3 15176 -37.623 38.259 25.117 1.00 0.00 WAT +ATOM 51837 H1 TIP3 15176 -38.257 38.372 25.851 1.00 0.00 WAT +ATOM 51838 H2 TIP3 15176 -37.572 39.166 24.744 1.00 0.00 WAT +ATOM 51839 OH2 TIP3 15177 -37.702 38.323 19.966 1.00 0.00 WAT +ATOM 51840 H1 TIP3 15177 -38.660 38.313 19.787 1.00 0.00 WAT +ATOM 51841 H2 TIP3 15177 -37.347 38.187 19.072 1.00 0.00 WAT +ATOM 51842 OH2 TIP3 15178 -32.079 38.972 18.751 1.00 0.00 WAT +ATOM 51843 H1 TIP3 15178 -32.515 39.761 18.378 1.00 0.00 WAT +ATOM 51844 H2 TIP3 15178 -31.374 38.813 18.098 1.00 0.00 WAT +ATOM 51845 OH2 TIP3 15179 -32.864 39.196 30.156 1.00 0.00 WAT +ATOM 51846 H1 TIP3 15179 -33.373 38.439 30.503 1.00 0.00 WAT +ATOM 51847 H2 TIP3 15179 -31.983 39.047 30.551 1.00 0.00 WAT +ATOM 51848 OH2 TIP3 15180 -31.189 38.195 21.463 1.00 0.00 WAT +ATOM 51849 H1 TIP3 15180 -31.474 38.779 20.734 1.00 0.00 WAT +ATOM 51850 H2 TIP3 15180 -31.034 37.374 20.961 1.00 0.00 WAT +ATOM 51851 OH2 TIP3 15181 -40.071 38.343 26.885 1.00 0.00 WAT +ATOM 51852 H1 TIP3 15181 -40.292 38.953 27.609 1.00 0.00 WAT +ATOM 51853 H2 TIP3 15181 -40.467 37.518 27.207 1.00 0.00 WAT +ATOM 51854 OH2 TIP3 15182 -36.849 35.976 13.529 1.00 0.00 WAT +ATOM 51855 H1 TIP3 15182 -37.306 35.621 14.312 1.00 0.00 WAT +ATOM 51856 H2 TIP3 15182 -37.591 36.228 12.963 1.00 0.00 WAT +ATOM 51857 OH2 TIP3 15183 -43.260 36.025 20.605 1.00 0.00 WAT +ATOM 51858 H1 TIP3 15183 -42.961 35.840 21.517 1.00 0.00 WAT +ATOM 51859 H2 TIP3 15183 -42.793 35.355 20.102 1.00 0.00 WAT +ATOM 51860 OH2 TIP3 15184 -42.074 36.422 16.379 1.00 0.00 WAT +ATOM 51861 H1 TIP3 15184 -41.485 36.737 15.668 1.00 0.00 WAT +ATOM 51862 H2 TIP3 15184 -42.906 36.831 16.115 1.00 0.00 WAT +ATOM 51863 OH2 TIP3 15185 -32.248 39.966 25.946 1.00 0.00 WAT +ATOM 51864 H1 TIP3 15185 -31.702 39.297 25.479 1.00 0.00 WAT +ATOM 51865 H2 TIP3 15185 -32.518 39.470 26.733 1.00 0.00 WAT +ATOM 51866 OH2 TIP3 15186 -35.024 35.901 20.895 1.00 0.00 WAT +ATOM 51867 H1 TIP3 15186 -35.927 35.938 21.254 1.00 0.00 WAT +ATOM 51868 H2 TIP3 15186 -34.494 35.755 21.695 1.00 0.00 WAT +ATOM 51869 OH2 TIP3 15187 -40.428 37.194 19.638 1.00 0.00 WAT +ATOM 51870 H1 TIP3 15187 -41.130 37.409 19.003 1.00 0.00 WAT +ATOM 51871 H2 TIP3 15187 -40.068 36.366 19.271 1.00 0.00 WAT +ATOM 51872 OH2 TIP3 15188 -36.640 37.391 17.260 1.00 0.00 WAT +ATOM 51873 H1 TIP3 15188 -35.713 37.642 17.417 1.00 0.00 WAT +ATOM 51874 H2 TIP3 15188 -36.961 38.073 16.640 1.00 0.00 WAT +ATOM 51875 OH2 TIP3 15189 -30.567 35.014 23.966 1.00 0.00 WAT +ATOM 51876 H1 TIP3 15189 -31.170 35.054 24.743 1.00 0.00 WAT +ATOM 51877 H2 TIP3 15189 -31.210 34.775 23.274 1.00 0.00 WAT +ATOM 51878 OH2 TIP3 15190 -38.227 38.716 15.142 1.00 0.00 WAT +ATOM 51879 H1 TIP3 15190 -38.827 38.455 14.426 1.00 0.00 WAT +ATOM 51880 H2 TIP3 15190 -37.431 38.964 14.639 1.00 0.00 WAT +ATOM 51881 OH2 TIP3 15191 -39.627 43.081 29.991 1.00 0.00 WAT +ATOM 51882 H1 TIP3 15191 -38.984 43.574 30.537 1.00 0.00 WAT +ATOM 51883 H2 TIP3 15191 -40.404 43.057 30.585 1.00 0.00 WAT +ATOM 51884 OH2 TIP3 15192 -33.872 38.455 22.775 1.00 0.00 WAT +ATOM 51885 H1 TIP3 15192 -33.104 38.033 22.362 1.00 0.00 WAT +ATOM 51886 H2 TIP3 15192 -34.014 37.893 23.563 1.00 0.00 WAT +ATOM 51887 OH2 TIP3 15193 -38.725 34.834 19.102 1.00 0.00 WAT +ATOM 51888 H1 TIP3 15193 -39.223 34.003 19.107 1.00 0.00 WAT +ATOM 51889 H2 TIP3 15193 -37.980 34.630 18.526 1.00 0.00 WAT +ATOM 51890 OH2 TIP3 15194 -34.911 36.950 25.060 1.00 0.00 WAT +ATOM 51891 H1 TIP3 15194 -35.688 37.534 25.068 1.00 0.00 WAT +ATOM 51892 H2 TIP3 15194 -34.421 37.228 25.859 1.00 0.00 WAT +ATOM 51893 OH2 TIP3 15195 -35.295 43.646 17.280 1.00 0.00 WAT +ATOM 51894 H1 TIP3 15195 -35.567 43.022 16.583 1.00 0.00 WAT +ATOM 51895 H2 TIP3 15195 -34.629 43.186 17.794 1.00 0.00 WAT +ATOM 51896 OH2 TIP3 15196 -27.305 42.661 25.637 1.00 0.00 WAT +ATOM 51897 H1 TIP3 15196 -27.052 43.118 24.814 1.00 0.00 WAT +ATOM 51898 H2 TIP3 15196 -28.257 42.560 25.451 1.00 0.00 WAT +ATOM 51899 OH2 TIP3 15197 -30.778 35.578 15.412 1.00 0.00 WAT +ATOM 51900 H1 TIP3 15197 -31.634 35.870 15.022 1.00 0.00 WAT +ATOM 51901 H2 TIP3 15197 -30.397 36.438 15.689 1.00 0.00 WAT +ATOM 51902 OH2 TIP3 15198 -29.877 38.015 16.835 1.00 0.00 WAT +ATOM 51903 H1 TIP3 15198 -28.979 37.889 17.195 1.00 0.00 WAT +ATOM 51904 H2 TIP3 15198 -29.775 38.828 16.312 1.00 0.00 WAT +ATOM 51905 OH2 TIP3 15199 -39.741 42.136 22.270 1.00 0.00 WAT +ATOM 51906 H1 TIP3 15199 -38.864 42.330 21.885 1.00 0.00 WAT +ATOM 51907 H2 TIP3 15199 -39.503 41.670 23.090 1.00 0.00 WAT +ATOM 51908 OH2 TIP3 15200 -42.065 40.170 28.111 1.00 0.00 WAT +ATOM 51909 H1 TIP3 15200 -42.317 40.530 28.983 1.00 0.00 WAT +ATOM 51910 H2 TIP3 15200 -42.796 40.497 27.559 1.00 0.00 WAT +ATOM 51911 OH2 TIP3 15201 -35.413 40.508 30.066 1.00 0.00 WAT +ATOM 51912 H1 TIP3 15201 -35.800 40.261 29.207 1.00 0.00 WAT +ATOM 51913 H2 TIP3 15201 -34.475 40.281 29.929 1.00 0.00 WAT +ATOM 51914 OH2 TIP3 15202 -25.367 38.004 16.539 1.00 0.00 WAT +ATOM 51915 H1 TIP3 15202 -25.906 37.867 15.733 1.00 0.00 WAT +ATOM 51916 H2 TIP3 15202 -25.209 38.970 16.418 1.00 0.00 WAT +ATOM 51917 OH2 TIP3 15203 -29.890 41.804 24.319 1.00 0.00 WAT +ATOM 51918 H1 TIP3 15203 -30.800 41.829 23.983 1.00 0.00 WAT +ATOM 51919 H2 TIP3 15203 -29.410 41.353 23.608 1.00 0.00 WAT +ATOM 51920 OH2 TIP3 15204 -41.583 40.983 14.767 1.00 0.00 WAT +ATOM 51921 H1 TIP3 15204 -40.842 41.487 15.141 1.00 0.00 WAT +ATOM 51922 H2 TIP3 15204 -42.303 41.619 14.918 1.00 0.00 WAT +ATOM 51923 OH2 TIP3 15205 -41.038 35.646 27.628 1.00 0.00 WAT +ATOM 51924 H1 TIP3 15205 -41.849 36.176 27.688 1.00 0.00 WAT +ATOM 51925 H2 TIP3 15205 -41.241 34.851 28.152 1.00 0.00 WAT +ATOM 51926 OH2 TIP3 15206 -39.593 -43.932 16.382 1.00 0.00 WAT +ATOM 51927 H1 TIP3 15206 -40.507 -43.581 16.440 1.00 0.00 WAT +ATOM 51928 H2 TIP3 15206 -39.110 -43.121 16.163 1.00 0.00 WAT +ATOM 51929 OH2 TIP3 15207 -32.070 35.452 26.185 1.00 0.00 WAT +ATOM 51930 H1 TIP3 15207 -31.501 35.786 26.896 1.00 0.00 WAT +ATOM 51931 H2 TIP3 15207 -32.590 34.757 26.633 1.00 0.00 WAT +ATOM 51932 OH2 TIP3 15208 -33.965 36.868 18.391 1.00 0.00 WAT +ATOM 51933 H1 TIP3 15208 -33.232 37.497 18.560 1.00 0.00 WAT +ATOM 51934 H2 TIP3 15208 -34.250 36.658 19.303 1.00 0.00 WAT +ATOM 51935 OH2 TIP3 15209 -33.637 37.894 27.587 1.00 0.00 WAT +ATOM 51936 H1 TIP3 15209 -33.637 38.412 28.409 1.00 0.00 WAT +ATOM 51937 H2 TIP3 15209 -33.150 37.106 27.859 1.00 0.00 WAT +ATOM 51938 OH2 TIP3 15210 -37.782 34.953 15.973 1.00 0.00 WAT +ATOM 51939 H1 TIP3 15210 -37.642 35.786 16.464 1.00 0.00 WAT +ATOM 51940 H2 TIP3 15210 -36.968 34.457 16.137 1.00 0.00 WAT +ATOM 51941 OH2 TIP3 15211 -27.413 35.834 28.464 1.00 0.00 WAT +ATOM 51942 H1 TIP3 15211 -28.369 35.969 28.311 1.00 0.00 WAT +ATOM 51943 H2 TIP3 15211 -27.141 35.647 27.554 1.00 0.00 WAT +ATOM 51944 OH2 TIP3 15212 -28.888 39.656 22.418 1.00 0.00 WAT +ATOM 51945 H1 TIP3 15212 -29.711 39.189 22.200 1.00 0.00 WAT +ATOM 51946 H2 TIP3 15212 -28.408 38.991 22.952 1.00 0.00 WAT +ATOM 51947 OH2 TIP3 15213 -41.153 37.974 14.140 1.00 0.00 WAT +ATOM 51948 H1 TIP3 15213 -41.095 38.923 14.325 1.00 0.00 WAT +ATOM 51949 H2 TIP3 15213 -41.953 37.883 13.612 1.00 0.00 WAT +ATOM 51950 OH2 TIP3 15214 -40.219 32.923 22.815 1.00 0.00 WAT +ATOM 51951 H1 TIP3 15214 -40.599 32.945 21.919 1.00 0.00 WAT +ATOM 51952 H2 TIP3 15214 -40.680 32.155 23.213 1.00 0.00 WAT +ATOM 51953 OH2 TIP3 15215 -42.145 43.290 31.240 1.00 0.00 WAT +ATOM 51954 H1 TIP3 15215 -42.226 42.336 31.072 1.00 0.00 WAT +ATOM 51955 H2 TIP3 15215 -43.067 43.523 31.028 1.00 0.00 WAT +ATOM 51956 OH2 TIP3 15216 -35.853 43.288 30.445 1.00 0.00 WAT +ATOM 51957 H1 TIP3 15216 -35.848 43.449 29.481 1.00 0.00 WAT +ATOM 51958 H2 TIP3 15216 -35.519 42.369 30.485 1.00 0.00 WAT +ATOM 51959 OH2 TIP3 15217 -29.847 -43.760 28.190 1.00 0.00 WAT +ATOM 51960 H1 TIP3 15217 -29.058 -43.316 27.846 1.00 0.00 WAT +ATOM 51961 H2 TIP3 15217 -30.532 -43.107 27.999 1.00 0.00 WAT +ATOM 51962 OH2 TIP3 15218 -41.241 40.386 30.779 1.00 0.00 WAT +ATOM 51963 H1 TIP3 15218 -40.552 39.714 30.646 1.00 0.00 WAT +ATOM 51964 H2 TIP3 15218 -41.376 40.395 31.728 1.00 0.00 WAT +ATOM 51965 OH2 TIP3 15219 -36.612 41.606 15.700 1.00 0.00 WAT +ATOM 51966 H1 TIP3 15219 -37.271 41.211 16.284 1.00 0.00 WAT +ATOM 51967 H2 TIP3 15219 -36.473 40.911 15.032 1.00 0.00 WAT +ATOM 51968 OH2 TIP3 15220 -37.403 39.353 28.100 1.00 0.00 WAT +ATOM 51969 H1 TIP3 15220 -38.074 40.052 28.215 1.00 0.00 WAT +ATOM 51970 H2 TIP3 15220 -36.855 39.722 27.387 1.00 0.00 WAT +ATOM 51971 OH2 TIP3 15221 -35.782 39.536 13.966 1.00 0.00 WAT +ATOM 51972 H1 TIP3 15221 -35.805 39.731 13.008 1.00 0.00 WAT +ATOM 51973 H2 TIP3 15221 -34.825 39.584 14.146 1.00 0.00 WAT +ATOM 51974 OH2 TIP3 15222 -32.182 42.163 31.569 1.00 0.00 WAT +ATOM 51975 H1 TIP3 15222 -31.305 41.948 31.232 1.00 0.00 WAT +ATOM 51976 H2 TIP3 15222 -32.520 41.309 31.850 1.00 0.00 WAT +ATOM 51977 OH2 TIP3 15223 -26.634 42.185 13.005 1.00 0.00 WAT +ATOM 51978 H1 TIP3 15223 -26.012 41.723 12.439 1.00 0.00 WAT +ATOM 51979 H2 TIP3 15223 -26.128 42.983 13.265 1.00 0.00 WAT +ATOM 51980 OH2 TIP3 15224 -36.900 36.631 29.151 1.00 0.00 WAT +ATOM 51981 H1 TIP3 15224 -36.844 35.986 28.425 1.00 0.00 WAT +ATOM 51982 H2 TIP3 15224 -37.125 37.450 28.673 1.00 0.00 WAT +ATOM 51983 OH2 TIP3 15225 -36.554 35.068 26.567 1.00 0.00 WAT +ATOM 51984 H1 TIP3 15225 -36.054 35.650 25.963 1.00 0.00 WAT +ATOM 51985 H2 TIP3 15225 -37.476 35.154 26.248 1.00 0.00 WAT +ATOM 51986 OH2 TIP3 15226 -35.041 40.670 26.898 1.00 0.00 WAT +ATOM 51987 H1 TIP3 15226 -34.203 40.572 26.418 1.00 0.00 WAT +ATOM 51988 H2 TIP3 15226 -35.416 41.476 26.502 1.00 0.00 WAT +ATOM 51989 OH2 TIP3 15227 -30.433 38.485 31.750 1.00 0.00 WAT +ATOM 51990 H1 TIP3 15227 -30.234 37.557 31.952 1.00 0.00 WAT +ATOM 51991 H2 TIP3 15227 -29.544 38.872 31.740 1.00 0.00 WAT +ATOM 51992 OH2 TIP3 15228 -29.473 41.363 30.131 1.00 0.00 WAT +ATOM 51993 H1 TIP3 15228 -29.713 42.082 29.502 1.00 0.00 WAT +ATOM 51994 H2 TIP3 15228 -28.562 41.182 29.842 1.00 0.00 WAT +ATOM 51995 OH2 TIP3 15229 -38.739 38.489 31.015 1.00 0.00 WAT +ATOM 51996 H1 TIP3 15229 -39.289 37.692 30.908 1.00 0.00 WAT +ATOM 51997 H2 TIP3 15229 -37.958 38.264 30.487 1.00 0.00 WAT +ATOM 51998 OH2 TIP3 15230 -35.844 32.407 26.918 1.00 0.00 WAT +ATOM 51999 H1 TIP3 15230 -36.010 33.365 26.773 1.00 0.00 WAT +ATOM 52000 H2 TIP3 15230 -36.589 32.019 26.419 1.00 0.00 WAT +ATOM 52001 OH2 TIP3 15231 -34.567 36.998 30.727 1.00 0.00 WAT +ATOM 52002 H1 TIP3 15231 -34.915 36.812 31.617 1.00 0.00 WAT +ATOM 52003 H2 TIP3 15231 -35.375 36.818 30.200 1.00 0.00 WAT +ATOM 52004 OH2 TIP3 15232 -32.071 36.032 29.586 1.00 0.00 WAT +ATOM 52005 H1 TIP3 15232 -32.937 36.128 30.027 1.00 0.00 WAT +ATOM 52006 H2 TIP3 15232 -31.601 35.437 30.202 1.00 0.00 WAT +ATOM 52007 OH2 TIP3 15233 -30.212 34.525 31.325 1.00 0.00 WAT +ATOM 52008 H1 TIP3 15233 -30.367 33.580 31.514 1.00 0.00 WAT +ATOM 52009 H2 TIP3 15233 -30.383 34.958 32.183 1.00 0.00 WAT +ATOM 52010 OH2 TIP3 15234 -40.135 35.986 30.784 1.00 0.00 WAT +ATOM 52011 H1 TIP3 15234 -40.179 35.269 30.133 1.00 0.00 WAT +ATOM 52012 H2 TIP3 15234 -40.327 35.514 31.615 1.00 0.00 WAT +ATOM 52013 OH2 TIP3 15235 -36.026 31.923 29.766 1.00 0.00 WAT +ATOM 52014 H1 TIP3 15235 -35.433 31.160 29.834 1.00 0.00 WAT +ATOM 52015 H2 TIP3 15235 -36.039 32.078 28.803 1.00 0.00 WAT +ATOM 52016 OH2 TIP3 15236 -35.061 33.778 31.610 1.00 0.00 WAT +ATOM 52017 H1 TIP3 15236 -35.411 33.195 30.906 1.00 0.00 WAT +ATOM 52018 H2 TIP3 15236 -35.733 34.479 31.656 1.00 0.00 WAT +ATOM 52019 OH2 TIP3 15237 -25.666 43.636 17.609 1.00 0.00 WAT +ATOM 52020 H1 TIP3 15237 -24.744 43.615 17.311 1.00 0.00 WAT +ATOM 52021 H2 TIP3 15237 -25.814 42.745 17.962 1.00 0.00 WAT +ATOM 52022 OH2 TIP3 15238 -25.290 41.305 19.261 1.00 0.00 WAT +ATOM 52023 H1 TIP3 15238 -26.075 40.875 19.651 1.00 0.00 WAT +ATOM 52024 H2 TIP3 15238 -24.742 41.520 20.035 1.00 0.00 WAT +ATOM 52025 OH2 TIP3 15239 -25.138 40.746 15.916 1.00 0.00 WAT +ATOM 52026 H1 TIP3 15239 -25.268 41.045 15.004 1.00 0.00 WAT +ATOM 52027 H2 TIP3 15239 -24.845 41.564 16.329 1.00 0.00 WAT +ATOM 52028 OH2 TIP3 15240 -26.860 38.422 14.099 1.00 0.00 WAT +ATOM 52029 H1 TIP3 15240 -26.626 39.089 13.435 1.00 0.00 WAT +ATOM 52030 H2 TIP3 15240 -27.067 37.640 13.555 1.00 0.00 WAT +ATOM 52031 OH2 TIP3 15241 -27.586 39.639 19.985 1.00 0.00 WAT +ATOM 52032 H1 TIP3 15241 -27.600 38.678 19.850 1.00 0.00 WAT +ATOM 52033 H2 TIP3 15241 -27.942 39.724 20.895 1.00 0.00 WAT +ATOM 52034 OH2 TIP3 15242 -42.460 42.172 23.816 1.00 0.00 WAT +ATOM 52035 H1 TIP3 15242 -42.292 41.775 22.959 1.00 0.00 WAT +ATOM 52036 H2 TIP3 15242 -41.821 41.714 24.397 1.00 0.00 WAT +ATOM 52037 OH2 TIP3 15243 -26.713 41.603 29.192 1.00 0.00 WAT +ATOM 52038 H1 TIP3 15243 -25.990 41.009 29.479 1.00 0.00 WAT +ATOM 52039 H2 TIP3 15243 -26.274 42.442 28.965 1.00 0.00 WAT +ATOM 52040 OH2 TIP3 15244 -25.288 39.654 30.368 1.00 0.00 WAT +ATOM 52041 H1 TIP3 15244 -26.099 39.130 30.193 1.00 0.00 WAT +ATOM 52042 H2 TIP3 15244 -24.609 38.957 30.409 1.00 0.00 WAT +ATOM 52043 OH2 TIP3 15245 -27.408 35.761 13.297 1.00 0.00 WAT +ATOM 52044 H1 TIP3 15245 -26.818 35.271 13.897 1.00 0.00 WAT +ATOM 52045 H2 TIP3 15245 -28.190 35.198 13.222 1.00 0.00 WAT +ATOM 52046 OH2 TIP3 15246 -27.542 37.026 18.256 1.00 0.00 WAT +ATOM 52047 H1 TIP3 15246 -27.315 36.080 18.280 1.00 0.00 WAT +ATOM 52048 H2 TIP3 15246 -26.742 37.408 17.849 1.00 0.00 WAT +ATOM 52049 OH2 TIP3 15247 -27.373 37.647 23.671 1.00 0.00 WAT +ATOM 52050 H1 TIP3 15247 -26.406 37.790 23.640 1.00 0.00 WAT +ATOM 52051 H2 TIP3 15247 -27.522 37.729 24.629 1.00 0.00 WAT +ATOM 52052 OH2 TIP3 15248 -27.202 38.371 26.490 1.00 0.00 WAT +ATOM 52053 H1 TIP3 15248 -28.058 38.759 26.750 1.00 0.00 WAT +ATOM 52054 H2 TIP3 15248 -26.687 39.172 26.264 1.00 0.00 WAT +ATOM 52055 OH2 TIP3 15249 -42.957 36.994 29.758 1.00 0.00 WAT +ATOM 52056 H1 TIP3 15249 -42.082 36.876 30.148 1.00 0.00 WAT +ATOM 52057 H2 TIP3 15249 -43.560 36.544 30.367 1.00 0.00 WAT +ATOM 52058 OH2 TIP3 15250 -24.634 32.529 31.793 1.00 0.00 WAT +ATOM 52059 H1 TIP3 15250 -24.225 31.836 31.242 1.00 0.00 WAT +ATOM 52060 H2 TIP3 15250 -24.612 33.303 31.198 1.00 0.00 WAT +ATOM 52061 OH2 TIP3 15251 -27.344 34.053 18.165 1.00 0.00 WAT +ATOM 52062 H1 TIP3 15251 -27.026 33.901 19.077 1.00 0.00 WAT +ATOM 52063 H2 TIP3 15251 -28.139 33.515 18.156 1.00 0.00 WAT +ATOM 52064 OH2 TIP3 15252 -41.938 35.524 23.102 1.00 0.00 WAT +ATOM 52065 H1 TIP3 15252 -41.584 34.639 23.264 1.00 0.00 WAT +ATOM 52066 H2 TIP3 15252 -41.226 36.092 23.449 1.00 0.00 WAT +ATOM 52067 OH2 TIP3 15253 -43.332 38.069 24.027 1.00 0.00 WAT +ATOM 52068 H1 TIP3 15253 -42.796 37.796 23.267 1.00 0.00 WAT +ATOM 52069 H2 TIP3 15253 -43.237 39.027 24.004 1.00 0.00 WAT +ATOM 52070 OH2 TIP3 15254 -25.255 34.576 30.030 1.00 0.00 WAT +ATOM 52071 H1 TIP3 15254 -26.133 34.995 30.107 1.00 0.00 WAT +ATOM 52072 H2 TIP3 15254 -25.393 34.034 29.234 1.00 0.00 WAT +ATOM 52073 OH2 TIP3 15255 -25.222 34.673 14.930 1.00 0.00 WAT +ATOM 52074 H1 TIP3 15255 -24.841 33.934 14.425 1.00 0.00 WAT +ATOM 52075 H2 TIP3 15255 -24.458 35.269 15.019 1.00 0.00 WAT +ATOM 52076 OH2 TIP3 15256 -43.167 34.294 17.639 1.00 0.00 WAT +ATOM 52077 H1 TIP3 15256 -44.007 34.591 17.257 1.00 0.00 WAT +ATOM 52078 H2 TIP3 15256 -42.570 34.996 17.289 1.00 0.00 WAT +ATOM 52079 OH2 TIP3 15257 -42.940 33.224 25.947 1.00 0.00 WAT +ATOM 52080 H1 TIP3 15257 -43.591 33.188 26.687 1.00 0.00 WAT +ATOM 52081 H2 TIP3 15257 -43.366 33.766 25.268 1.00 0.00 WAT +ATOM 52082 OH2 TIP3 15258 -26.407 32.801 28.009 1.00 0.00 WAT +ATOM 52083 H1 TIP3 15258 -27.196 33.030 27.490 1.00 0.00 WAT +ATOM 52084 H2 TIP3 15258 -26.194 31.905 27.673 1.00 0.00 WAT +ATOM 52085 OH2 TIP3 15259 -32.891 34.279 22.338 1.00 0.00 WAT +ATOM 52086 H1 TIP3 15259 -33.586 33.616 22.499 1.00 0.00 WAT +ATOM 52087 H2 TIP3 15259 -32.244 33.788 21.800 1.00 0.00 WAT +ATOM 52088 OH2 TIP3 15260 -27.988 32.282 22.900 1.00 0.00 WAT +ATOM 52089 H1 TIP3 15260 -27.225 32.782 22.563 1.00 0.00 WAT +ATOM 52090 H2 TIP3 15260 -28.724 32.700 22.430 1.00 0.00 WAT +ATOM 52091 OH2 TIP3 15261 -26.021 33.460 20.669 1.00 0.00 WAT +ATOM 52092 H1 TIP3 15261 -25.247 33.029 20.260 1.00 0.00 WAT +ATOM 52093 H2 TIP3 15261 -25.665 34.360 20.837 1.00 0.00 WAT +ATOM 52094 OH2 TIP3 15262 -41.045 32.881 19.989 1.00 0.00 WAT +ATOM 52095 H1 TIP3 15262 -41.803 32.606 19.458 1.00 0.00 WAT +ATOM 52096 H2 TIP3 15262 -40.468 32.100 19.919 1.00 0.00 WAT +ATOM 52097 OH2 TIP3 15263 -41.807 32.491 15.835 1.00 0.00 WAT +ATOM 52098 H1 TIP3 15263 -41.313 33.163 15.326 1.00 0.00 WAT +ATOM 52099 H2 TIP3 15263 -42.341 33.056 16.424 1.00 0.00 WAT +ATOM 52100 OH2 TIP3 15264 -35.944 32.842 19.857 1.00 0.00 WAT +ATOM 52101 H1 TIP3 15264 -35.144 33.356 20.018 1.00 0.00 WAT +ATOM 52102 H2 TIP3 15264 -36.274 32.772 20.763 1.00 0.00 WAT +ATOM 52103 OH2 TIP3 15265 -30.644 32.830 21.239 1.00 0.00 WAT +ATOM 52104 H1 TIP3 15265 -30.205 32.602 20.410 1.00 0.00 WAT +ATOM 52105 H2 TIP3 15265 -30.917 31.958 21.568 1.00 0.00 WAT +ATOM 52106 OH2 TIP3 15266 -40.065 34.352 14.376 1.00 0.00 WAT +ATOM 52107 H1 TIP3 15266 -39.477 33.795 13.839 1.00 0.00 WAT +ATOM 52108 H2 TIP3 15266 -39.454 34.663 15.071 1.00 0.00 WAT +ATOM 52109 OH2 TIP3 15267 -34.383 34.305 17.149 1.00 0.00 WAT +ATOM 52110 H1 TIP3 15267 -34.908 33.806 17.793 1.00 0.00 WAT +ATOM 52111 H2 TIP3 15267 -34.646 35.223 17.360 1.00 0.00 WAT +ATOM 52112 OH2 TIP3 15268 -40.799 33.258 29.532 1.00 0.00 WAT +ATOM 52113 H1 TIP3 15268 -41.252 32.501 29.941 1.00 0.00 WAT +ATOM 52114 H2 TIP3 15268 -39.890 33.126 29.853 1.00 0.00 WAT +ATOM 52115 OH2 TIP3 15269 -38.447 32.634 31.293 1.00 0.00 WAT +ATOM 52116 H1 TIP3 15269 -37.625 32.271 30.906 1.00 0.00 WAT +ATOM 52117 H2 TIP3 15269 -38.790 31.854 31.762 1.00 0.00 WAT +ATOM 52118 OH2 TIP3 15270 -30.319 31.712 31.426 1.00 0.00 WAT +ATOM 52119 H1 TIP3 15270 -30.305 31.314 32.318 1.00 0.00 WAT +ATOM 52120 H2 TIP3 15270 -29.370 31.717 31.204 1.00 0.00 WAT +ATOM 52121 OH2 TIP3 15271 -12.729 42.048 20.114 1.00 0.00 WAT +ATOM 52122 H1 TIP3 15271 -13.047 42.958 20.079 1.00 0.00 WAT +ATOM 52123 H2 TIP3 15271 -13.456 41.590 19.666 1.00 0.00 WAT +ATOM 52124 OH2 TIP3 15272 -13.898 41.326 23.386 1.00 0.00 WAT +ATOM 52125 H1 TIP3 15272 -13.892 40.790 24.194 1.00 0.00 WAT +ATOM 52126 H2 TIP3 15272 -14.183 40.694 22.716 1.00 0.00 WAT +ATOM 52127 OH2 TIP3 15273 -21.482 40.811 24.991 1.00 0.00 WAT +ATOM 52128 H1 TIP3 15273 -21.495 40.078 25.630 1.00 0.00 WAT +ATOM 52129 H2 TIP3 15273 -20.746 41.337 25.331 1.00 0.00 WAT +ATOM 52130 OH2 TIP3 15274 -23.806 38.833 18.958 1.00 0.00 WAT +ATOM 52131 H1 TIP3 15274 -24.192 39.728 18.984 1.00 0.00 WAT +ATOM 52132 H2 TIP3 15274 -24.482 38.362 18.457 1.00 0.00 WAT +ATOM 52133 OH2 TIP3 15275 -22.825 41.347 20.835 1.00 0.00 WAT +ATOM 52134 H1 TIP3 15275 -22.834 40.520 21.353 1.00 0.00 WAT +ATOM 52135 H2 TIP3 15275 -22.072 41.183 20.256 1.00 0.00 WAT +ATOM 52136 OH2 TIP3 15276 -6.748 35.227 24.579 1.00 0.00 WAT +ATOM 52137 H1 TIP3 15276 -6.477 35.837 25.286 1.00 0.00 WAT +ATOM 52138 H2 TIP3 15276 -6.139 35.495 23.866 1.00 0.00 WAT +ATOM 52139 OH2 TIP3 15277 -12.088 38.019 24.468 1.00 0.00 WAT +ATOM 52140 H1 TIP3 15277 -11.962 37.055 24.463 1.00 0.00 WAT +ATOM 52141 H2 TIP3 15277 -12.190 38.199 23.521 1.00 0.00 WAT +ATOM 52142 OH2 TIP3 15278 -19.138 36.045 21.535 1.00 0.00 WAT +ATOM 52143 H1 TIP3 15278 -18.986 36.896 21.077 1.00 0.00 WAT +ATOM 52144 H2 TIP3 15278 -19.484 35.521 20.786 1.00 0.00 WAT +ATOM 52145 OH2 TIP3 15279 -11.285 36.237 19.845 1.00 0.00 WAT +ATOM 52146 H1 TIP3 15279 -10.700 35.802 20.505 1.00 0.00 WAT +ATOM 52147 H2 TIP3 15279 -10.628 36.670 19.282 1.00 0.00 WAT +ATOM 52148 OH2 TIP3 15280 -22.465 38.765 22.037 1.00 0.00 WAT +ATOM 52149 H1 TIP3 15280 -21.821 38.296 22.591 1.00 0.00 WAT +ATOM 52150 H2 TIP3 15280 -22.367 38.293 21.189 1.00 0.00 WAT +ATOM 52151 OH2 TIP3 15281 -17.034 40.189 21.513 1.00 0.00 WAT +ATOM 52152 H1 TIP3 15281 -16.363 39.599 21.912 1.00 0.00 WAT +ATOM 52153 H2 TIP3 15281 -17.576 39.547 21.014 1.00 0.00 WAT +ATOM 52154 OH2 TIP3 15282 -6.021 36.590 27.067 1.00 0.00 WAT +ATOM 52155 H1 TIP3 15282 -6.606 37.314 26.784 1.00 0.00 WAT +ATOM 52156 H2 TIP3 15282 -6.203 36.565 28.016 1.00 0.00 WAT +ATOM 52157 OH2 TIP3 15283 -20.339 34.843 25.684 1.00 0.00 WAT +ATOM 52158 H1 TIP3 15283 -20.737 35.348 24.959 1.00 0.00 WAT +ATOM 52159 H2 TIP3 15283 -20.997 34.995 26.393 1.00 0.00 WAT +ATOM 52160 OH2 TIP3 15284 -17.623 42.664 25.467 1.00 0.00 WAT +ATOM 52161 H1 TIP3 15284 -18.436 43.193 25.497 1.00 0.00 WAT +ATOM 52162 H2 TIP3 15284 -16.973 43.375 25.363 1.00 0.00 WAT +ATOM 52163 OH2 TIP3 15285 -9.459 35.478 21.867 1.00 0.00 WAT +ATOM 52164 H1 TIP3 15285 -9.807 34.830 22.492 1.00 0.00 WAT +ATOM 52165 H2 TIP3 15285 -8.941 36.062 22.446 1.00 0.00 WAT +ATOM 52166 OH2 TIP3 15286 -20.730 36.891 23.626 1.00 0.00 WAT +ATOM 52167 H1 TIP3 15286 -20.086 37.466 24.086 1.00 0.00 WAT +ATOM 52168 H2 TIP3 15286 -20.160 36.526 22.912 1.00 0.00 WAT +ATOM 52169 OH2 TIP3 15287 -9.361 34.722 25.734 1.00 0.00 WAT +ATOM 52170 H1 TIP3 15287 -10.125 34.985 25.183 1.00 0.00 WAT +ATOM 52171 H2 TIP3 15287 -8.618 34.819 25.107 1.00 0.00 WAT +ATOM 52172 OH2 TIP3 15288 -16.190 32.337 22.777 1.00 0.00 WAT +ATOM 52173 H1 TIP3 15288 -16.410 31.389 22.698 1.00 0.00 WAT +ATOM 52174 H2 TIP3 15288 -17.022 32.703 23.144 1.00 0.00 WAT +ATOM 52175 OH2 TIP3 15289 -14.227 41.448 17.513 1.00 0.00 WAT +ATOM 52176 H1 TIP3 15289 -14.882 41.787 16.887 1.00 0.00 WAT +ATOM 52177 H2 TIP3 15289 -13.459 41.338 16.925 1.00 0.00 WAT +ATOM 52178 OH2 TIP3 15290 -13.806 39.424 14.693 1.00 0.00 WAT +ATOM 52179 H1 TIP3 15290 -13.072 39.791 15.217 1.00 0.00 WAT +ATOM 52180 H2 TIP3 15290 -13.322 38.915 14.029 1.00 0.00 WAT +ATOM 52181 OH2 TIP3 15291 -6.690 40.563 25.763 1.00 0.00 WAT +ATOM 52182 H1 TIP3 15291 -7.367 41.266 25.851 1.00 0.00 WAT +ATOM 52183 H2 TIP3 15291 -6.184 40.919 25.001 1.00 0.00 WAT +ATOM 52184 OH2 TIP3 15292 -10.493 41.418 18.528 1.00 0.00 WAT +ATOM 52185 H1 TIP3 15292 -11.165 41.621 19.209 1.00 0.00 WAT +ATOM 52186 H2 TIP3 15292 -9.850 40.886 19.032 1.00 0.00 WAT +ATOM 52187 OH2 TIP3 15293 -10.769 39.688 27.479 1.00 0.00 WAT +ATOM 52188 H1 TIP3 15293 -10.756 40.448 28.086 1.00 0.00 WAT +ATOM 52189 H2 TIP3 15293 -11.336 40.053 26.773 1.00 0.00 WAT +ATOM 52190 OH2 TIP3 15294 -18.998 42.067 20.474 1.00 0.00 WAT +ATOM 52191 H1 TIP3 15294 -19.191 41.820 19.551 1.00 0.00 WAT +ATOM 52192 H2 TIP3 15294 -18.202 41.541 20.656 1.00 0.00 WAT +ATOM 52193 OH2 TIP3 15295 -18.420 40.649 23.888 1.00 0.00 WAT +ATOM 52194 H1 TIP3 15295 -17.875 40.730 23.081 1.00 0.00 WAT +ATOM 52195 H2 TIP3 15295 -18.123 41.418 24.419 1.00 0.00 WAT +ATOM 52196 OH2 TIP3 15296 -11.694 40.743 16.163 1.00 0.00 WAT +ATOM 52197 H1 TIP3 15296 -11.115 41.013 16.911 1.00 0.00 WAT +ATOM 52198 H2 TIP3 15296 -11.233 41.192 15.408 1.00 0.00 WAT +ATOM 52199 OH2 TIP3 15297 -20.577 41.452 27.734 1.00 0.00 WAT +ATOM 52200 H1 TIP3 15297 -20.465 42.095 28.472 1.00 0.00 WAT +ATOM 52201 H2 TIP3 15297 -21.548 41.389 27.707 1.00 0.00 WAT +ATOM 52202 OH2 TIP3 15298 -8.195 32.466 15.576 1.00 0.00 WAT +ATOM 52203 H1 TIP3 15298 -9.075 32.553 15.987 1.00 0.00 WAT +ATOM 52204 H2 TIP3 15298 -7.849 33.369 15.650 1.00 0.00 WAT +ATOM 52205 OH2 TIP3 15299 -20.082 40.784 18.016 1.00 0.00 WAT +ATOM 52206 H1 TIP3 15299 -20.251 41.598 17.493 1.00 0.00 WAT +ATOM 52207 H2 TIP3 15299 -20.684 40.159 17.593 1.00 0.00 WAT +ATOM 52208 OH2 TIP3 15300 -24.121 43.090 26.751 1.00 0.00 WAT +ATOM 52209 H1 TIP3 15300 -24.127 42.921 25.796 1.00 0.00 WAT +ATOM 52210 H2 TIP3 15300 -23.799 42.241 27.109 1.00 0.00 WAT +ATOM 52211 OH2 TIP3 15301 -8.914 38.330 29.817 1.00 0.00 WAT +ATOM 52212 H1 TIP3 15301 -9.252 38.765 29.023 1.00 0.00 WAT +ATOM 52213 H2 TIP3 15301 -8.753 37.419 29.504 1.00 0.00 WAT +ATOM 52214 OH2 TIP3 15302 -18.618 33.479 23.694 1.00 0.00 WAT +ATOM 52215 H1 TIP3 15302 -19.426 33.418 23.155 1.00 0.00 WAT +ATOM 52216 H2 TIP3 15302 -18.856 34.223 24.268 1.00 0.00 WAT +ATOM 52217 OH2 TIP3 15303 -14.233 33.080 27.367 1.00 0.00 WAT +ATOM 52218 H1 TIP3 15303 -13.721 32.502 27.965 1.00 0.00 WAT +ATOM 52219 H2 TIP3 15303 -15.140 32.724 27.446 1.00 0.00 WAT +ATOM 52220 OH2 TIP3 15304 -11.593 36.817 28.190 1.00 0.00 WAT +ATOM 52221 H1 TIP3 15304 -11.303 36.803 29.106 1.00 0.00 WAT +ATOM 52222 H2 TIP3 15304 -11.255 37.674 27.868 1.00 0.00 WAT +ATOM 52223 OH2 TIP3 15305 -10.296 41.757 14.103 1.00 0.00 WAT +ATOM 52224 H1 TIP3 15305 -10.368 41.589 13.147 1.00 0.00 WAT +ATOM 52225 H2 TIP3 15305 -9.401 42.144 14.161 1.00 0.00 WAT +ATOM 52226 OH2 TIP3 15306 -14.436 35.567 14.589 1.00 0.00 WAT +ATOM 52227 H1 TIP3 15306 -14.944 35.445 15.403 1.00 0.00 WAT +ATOM 52228 H2 TIP3 15306 -14.861 34.904 14.015 1.00 0.00 WAT +ATOM 52229 OH2 TIP3 15307 -18.734 38.239 25.156 1.00 0.00 WAT +ATOM 52230 H1 TIP3 15307 -19.395 38.376 25.856 1.00 0.00 WAT +ATOM 52231 H2 TIP3 15307 -18.660 39.137 24.756 1.00 0.00 WAT +ATOM 52232 OH2 TIP3 15308 -18.795 38.320 19.985 1.00 0.00 WAT +ATOM 52233 H1 TIP3 15308 -19.751 38.279 19.808 1.00 0.00 WAT +ATOM 52234 H2 TIP3 15308 -18.446 38.148 19.086 1.00 0.00 WAT +ATOM 52235 OH2 TIP3 15309 -13.199 39.005 18.781 1.00 0.00 WAT +ATOM 52236 H1 TIP3 15309 -13.677 39.745 18.362 1.00 0.00 WAT +ATOM 52237 H2 TIP3 15309 -12.541 38.784 18.098 1.00 0.00 WAT +ATOM 52238 OH2 TIP3 15310 -12.361 38.310 21.514 1.00 0.00 WAT +ATOM 52239 H1 TIP3 15310 -12.649 38.850 20.752 1.00 0.00 WAT +ATOM 52240 H2 TIP3 15310 -12.122 37.489 21.039 1.00 0.00 WAT +ATOM 52241 OH2 TIP3 15311 -21.336 38.401 26.884 1.00 0.00 WAT +ATOM 52242 H1 TIP3 15311 -21.194 38.805 27.748 1.00 0.00 WAT +ATOM 52243 H2 TIP3 15311 -21.720 37.541 27.129 1.00 0.00 WAT +ATOM 52244 OH2 TIP3 15312 -18.001 35.987 13.472 1.00 0.00 WAT +ATOM 52245 H1 TIP3 15312 -18.360 35.668 14.324 1.00 0.00 WAT +ATOM 52246 H2 TIP3 15312 -18.805 36.202 12.984 1.00 0.00 WAT +ATOM 52247 OH2 TIP3 15313 -24.599 35.843 20.604 1.00 0.00 WAT +ATOM 52248 H1 TIP3 15313 -23.961 35.886 21.340 1.00 0.00 WAT +ATOM 52249 H2 TIP3 15313 -24.056 35.545 19.860 1.00 0.00 WAT +ATOM 52250 OH2 TIP3 15314 -23.031 36.372 16.198 1.00 0.00 WAT +ATOM 52251 H1 TIP3 15314 -22.465 36.896 15.593 1.00 0.00 WAT +ATOM 52252 H2 TIP3 15314 -23.702 37.042 16.415 1.00 0.00 WAT +ATOM 52253 OH2 TIP3 15315 -13.372 39.959 25.958 1.00 0.00 WAT +ATOM 52254 H1 TIP3 15315 -12.846 39.301 25.452 1.00 0.00 WAT +ATOM 52255 H2 TIP3 15315 -13.723 39.408 26.675 1.00 0.00 WAT +ATOM 52256 OH2 TIP3 15316 -16.036 35.957 21.010 1.00 0.00 WAT +ATOM 52257 H1 TIP3 15316 -16.985 35.902 21.209 1.00 0.00 WAT +ATOM 52258 H2 TIP3 15316 -15.641 35.730 21.868 1.00 0.00 WAT +ATOM 52259 OH2 TIP3 15317 -21.533 37.141 19.711 1.00 0.00 WAT +ATOM 52260 H1 TIP3 15317 -22.292 37.454 19.188 1.00 0.00 WAT +ATOM 52261 H2 TIP3 15317 -21.188 36.391 19.191 1.00 0.00 WAT +ATOM 52262 OH2 TIP3 15318 -17.851 37.512 17.377 1.00 0.00 WAT +ATOM 52263 H1 TIP3 15318 -16.885 37.610 17.370 1.00 0.00 WAT +ATOM 52264 H2 TIP3 15318 -18.146 38.057 16.621 1.00 0.00 WAT +ATOM 52265 OH2 TIP3 15319 -11.668 35.080 24.054 1.00 0.00 WAT +ATOM 52266 H1 TIP3 15319 -12.356 35.088 24.753 1.00 0.00 WAT +ATOM 52267 H2 TIP3 15319 -12.191 34.727 23.312 1.00 0.00 WAT +ATOM 52268 OH2 TIP3 15320 -19.333 38.674 15.179 1.00 0.00 WAT +ATOM 52269 H1 TIP3 15320 -20.033 38.583 14.514 1.00 0.00 WAT +ATOM 52270 H2 TIP3 15320 -18.578 38.934 14.617 1.00 0.00 WAT +ATOM 52271 OH2 TIP3 15321 -20.464 43.164 29.780 1.00 0.00 WAT +ATOM 52272 H1 TIP3 15321 -19.910 43.641 30.431 1.00 0.00 WAT +ATOM 52273 H2 TIP3 15321 -21.279 43.036 30.316 1.00 0.00 WAT +ATOM 52274 OH2 TIP3 15322 -15.034 38.503 22.844 1.00 0.00 WAT +ATOM 52275 H1 TIP3 15322 -14.313 38.066 22.366 1.00 0.00 WAT +ATOM 52276 H2 TIP3 15322 -15.187 37.885 23.586 1.00 0.00 WAT +ATOM 52277 OH2 TIP3 15323 -19.742 34.907 19.001 1.00 0.00 WAT +ATOM 52278 H1 TIP3 15323 -20.268 34.101 19.133 1.00 0.00 WAT +ATOM 52279 H2 TIP3 15323 -18.933 34.559 18.599 1.00 0.00 WAT +ATOM 52280 OH2 TIP3 15324 -16.060 36.979 25.093 1.00 0.00 WAT +ATOM 52281 H1 TIP3 15324 -16.853 37.542 25.101 1.00 0.00 WAT +ATOM 52282 H2 TIP3 15324 -15.584 37.250 25.897 1.00 0.00 WAT +ATOM 52283 OH2 TIP3 15325 -16.313 43.656 17.181 1.00 0.00 WAT +ATOM 52284 H1 TIP3 15325 -16.777 43.001 16.622 1.00 0.00 WAT +ATOM 52285 H2 TIP3 15325 -15.863 43.123 17.840 1.00 0.00 WAT +ATOM 52286 OH2 TIP3 15326 -8.422 42.706 25.668 1.00 0.00 WAT +ATOM 52287 H1 TIP3 15326 -8.201 43.111 24.807 1.00 0.00 WAT +ATOM 52288 H2 TIP3 15326 -9.376 42.574 25.504 1.00 0.00 WAT +ATOM 52289 OH2 TIP3 15327 -11.763 36.168 14.736 1.00 0.00 WAT +ATOM 52290 H1 TIP3 15327 -12.745 36.133 14.692 1.00 0.00 WAT +ATOM 52291 H2 TIP3 15327 -11.592 36.895 15.365 1.00 0.00 WAT +ATOM 52292 OH2 TIP3 15328 -11.085 37.982 16.824 1.00 0.00 WAT +ATOM 52293 H1 TIP3 15328 -10.197 37.811 17.194 1.00 0.00 WAT +ATOM 52294 H2 TIP3 15328 -10.966 38.842 16.384 1.00 0.00 WAT +ATOM 52295 OH2 TIP3 15329 -20.442 42.522 22.731 1.00 0.00 WAT +ATOM 52296 H1 TIP3 15329 -19.911 42.426 21.910 1.00 0.00 WAT +ATOM 52297 H2 TIP3 15329 -20.432 41.617 23.073 1.00 0.00 WAT +ATOM 52298 OH2 TIP3 15330 -23.441 40.779 27.999 1.00 0.00 WAT +ATOM 52299 H1 TIP3 15330 -23.370 40.432 28.910 1.00 0.00 WAT +ATOM 52300 H2 TIP3 15330 -24.214 40.311 27.644 1.00 0.00 WAT +ATOM 52301 OH2 TIP3 15331 -16.416 40.356 30.053 1.00 0.00 WAT +ATOM 52302 H1 TIP3 15331 -16.791 40.226 29.164 1.00 0.00 WAT +ATOM 52303 H2 TIP3 15331 -15.473 40.440 29.869 1.00 0.00 WAT +ATOM 52304 OH2 TIP3 15332 -6.500 37.974 16.533 1.00 0.00 WAT +ATOM 52305 H1 TIP3 15332 -7.048 37.776 15.747 1.00 0.00 WAT +ATOM 52306 H2 TIP3 15332 -6.375 38.931 16.383 1.00 0.00 WAT +ATOM 52307 OH2 TIP3 15333 -11.019 41.796 24.321 1.00 0.00 WAT +ATOM 52308 H1 TIP3 15333 -11.933 41.833 23.995 1.00 0.00 WAT +ATOM 52309 H2 TIP3 15333 -10.561 41.331 23.603 1.00 0.00 WAT +ATOM 52310 OH2 TIP3 15334 -22.216 35.650 27.678 1.00 0.00 WAT +ATOM 52311 H1 TIP3 15334 -23.124 35.898 27.414 1.00 0.00 WAT +ATOM 52312 H2 TIP3 15334 -22.361 34.774 28.078 1.00 0.00 WAT +ATOM 52313 OH2 TIP3 15335 -20.767 -43.889 16.693 1.00 0.00 WAT +ATOM 52314 H1 TIP3 15335 -21.723 -43.694 16.584 1.00 0.00 WAT +ATOM 52315 H2 TIP3 15335 -20.395 -43.259 16.066 1.00 0.00 WAT +ATOM 52316 OH2 TIP3 15336 -13.290 35.527 26.244 1.00 0.00 WAT +ATOM 52317 H1 TIP3 15336 -12.659 35.770 26.942 1.00 0.00 WAT +ATOM 52318 H2 TIP3 15336 -13.748 34.747 26.613 1.00 0.00 WAT +ATOM 52319 OH2 TIP3 15337 -12.621 34.928 17.476 1.00 0.00 WAT +ATOM 52320 H1 TIP3 15337 -12.438 35.446 16.677 1.00 0.00 WAT +ATOM 52321 H2 TIP3 15337 -12.146 35.428 18.159 1.00 0.00 WAT +ATOM 52322 OH2 TIP3 15338 -15.167 36.916 18.424 1.00 0.00 WAT +ATOM 52323 H1 TIP3 15338 -14.411 37.511 18.581 1.00 0.00 WAT +ATOM 52324 H2 TIP3 15338 -15.489 36.757 19.331 1.00 0.00 WAT +ATOM 52325 OH2 TIP3 15339 -14.699 38.011 27.689 1.00 0.00 WAT +ATOM 52326 H1 TIP3 15339 -14.659 38.355 28.588 1.00 0.00 WAT +ATOM 52327 H2 TIP3 15339 -14.164 37.208 27.724 1.00 0.00 WAT +ATOM 52328 OH2 TIP3 15340 -14.606 33.938 19.367 1.00 0.00 WAT +ATOM 52329 H1 TIP3 15340 -14.808 34.646 20.006 1.00 0.00 WAT +ATOM 52330 H2 TIP3 15340 -13.880 34.343 18.851 1.00 0.00 WAT +ATOM 52331 OH2 TIP3 15341 -18.882 34.944 15.891 1.00 0.00 WAT +ATOM 52332 H1 TIP3 15341 -18.855 35.721 16.475 1.00 0.00 WAT +ATOM 52333 H2 TIP3 15341 -18.061 34.482 16.156 1.00 0.00 WAT +ATOM 52334 OH2 TIP3 15342 -8.663 35.904 28.430 1.00 0.00 WAT +ATOM 52335 H1 TIP3 15342 -9.606 35.832 28.240 1.00 0.00 WAT +ATOM 52336 H2 TIP3 15342 -8.315 35.646 27.561 1.00 0.00 WAT +ATOM 52337 OH2 TIP3 15343 -10.022 39.678 22.426 1.00 0.00 WAT +ATOM 52338 H1 TIP3 15343 -10.860 39.233 22.211 1.00 0.00 WAT +ATOM 52339 H2 TIP3 15343 -9.549 38.989 22.940 1.00 0.00 WAT +ATOM 52340 OH2 TIP3 15344 -22.409 38.311 14.156 1.00 0.00 WAT +ATOM 52341 H1 TIP3 15344 -22.206 39.248 13.970 1.00 0.00 WAT +ATOM 52342 H2 TIP3 15344 -23.235 38.224 13.671 1.00 0.00 WAT +ATOM 52343 OH2 TIP3 15345 -21.416 33.044 22.862 1.00 0.00 WAT +ATOM 52344 H1 TIP3 15345 -21.584 33.024 21.897 1.00 0.00 WAT +ATOM 52345 H2 TIP3 15345 -21.739 32.172 23.154 1.00 0.00 WAT +ATOM 52346 OH2 TIP3 15346 -22.906 43.069 30.900 1.00 0.00 WAT +ATOM 52347 H1 TIP3 15346 -23.143 42.128 30.973 1.00 0.00 WAT +ATOM 52348 H2 TIP3 15346 -23.727 43.516 30.680 1.00 0.00 WAT +ATOM 52349 OH2 TIP3 15347 -17.039 43.224 30.453 1.00 0.00 WAT +ATOM 52350 H1 TIP3 15347 -17.009 43.413 29.493 1.00 0.00 WAT +ATOM 52351 H2 TIP3 15347 -16.623 42.345 30.501 1.00 0.00 WAT +ATOM 52352 OH2 TIP3 15348 -10.987 -43.731 28.208 1.00 0.00 WAT +ATOM 52353 H1 TIP3 15348 -10.249 -43.262 27.800 1.00 0.00 WAT +ATOM 52354 H2 TIP3 15348 -11.729 -43.159 27.973 1.00 0.00 WAT +ATOM 52355 OH2 TIP3 15349 -22.338 40.232 30.636 1.00 0.00 WAT +ATOM 52356 H1 TIP3 15349 -21.566 39.646 30.581 1.00 0.00 WAT +ATOM 52357 H2 TIP3 15349 -22.331 40.455 31.585 1.00 0.00 WAT +ATOM 52358 OH2 TIP3 15350 -17.695 41.572 15.818 1.00 0.00 WAT +ATOM 52359 H1 TIP3 15350 -18.451 41.191 16.283 1.00 0.00 WAT +ATOM 52360 H2 TIP3 15350 -17.611 40.964 15.057 1.00 0.00 WAT +ATOM 52361 OH2 TIP3 15351 -18.574 39.347 28.094 1.00 0.00 WAT +ATOM 52362 H1 TIP3 15351 -19.182 40.098 28.232 1.00 0.00 WAT +ATOM 52363 H2 TIP3 15351 -18.001 39.693 27.391 1.00 0.00 WAT +ATOM 52364 OH2 TIP3 15352 -16.935 39.568 13.970 1.00 0.00 WAT +ATOM 52365 H1 TIP3 15352 -16.989 39.697 13.005 1.00 0.00 WAT +ATOM 52366 H2 TIP3 15352 -15.974 39.576 14.125 1.00 0.00 WAT +ATOM 52367 OH2 TIP3 15353 -13.497 41.665 31.193 1.00 0.00 WAT +ATOM 52368 H1 TIP3 15353 -12.588 41.976 31.288 1.00 0.00 WAT +ATOM 52369 H2 TIP3 15353 -13.705 41.371 32.088 1.00 0.00 WAT +ATOM 52370 OH2 TIP3 15354 -7.624 41.893 13.205 1.00 0.00 WAT +ATOM 52371 H1 TIP3 15354 -7.719 41.835 12.242 1.00 0.00 WAT +ATOM 52372 H2 TIP3 15354 -7.592 42.856 13.379 1.00 0.00 WAT +ATOM 52373 OH2 TIP3 15355 -17.919 36.665 29.186 1.00 0.00 WAT +ATOM 52374 H1 TIP3 15355 -17.943 35.989 28.485 1.00 0.00 WAT +ATOM 52375 H2 TIP3 15355 -18.184 37.464 28.697 1.00 0.00 WAT +ATOM 52376 OH2 TIP3 15356 -17.718 35.115 26.606 1.00 0.00 WAT +ATOM 52377 H1 TIP3 15356 -17.211 35.638 25.956 1.00 0.00 WAT +ATOM 52378 H2 TIP3 15356 -18.629 35.138 26.247 1.00 0.00 WAT +ATOM 52379 OH2 TIP3 15357 -16.168 40.703 26.926 1.00 0.00 WAT +ATOM 52380 H1 TIP3 15357 -15.363 40.592 26.394 1.00 0.00 WAT +ATOM 52381 H2 TIP3 15357 -16.584 41.477 26.505 1.00 0.00 WAT +ATOM 52382 OH2 TIP3 15358 -10.585 41.276 30.057 1.00 0.00 WAT +ATOM 52383 H1 TIP3 15358 -10.851 42.033 29.490 1.00 0.00 WAT +ATOM 52384 H2 TIP3 15358 -9.647 41.196 29.817 1.00 0.00 WAT +ATOM 52385 OH2 TIP3 15359 -19.867 38.483 30.968 1.00 0.00 WAT +ATOM 52386 H1 TIP3 15359 -20.385 37.657 30.933 1.00 0.00 WAT +ATOM 52387 H2 TIP3 15359 -19.059 38.233 30.494 1.00 0.00 WAT +ATOM 52388 OH2 TIP3 15360 -16.990 32.447 26.971 1.00 0.00 WAT +ATOM 52389 H1 TIP3 15360 -17.181 33.394 26.798 1.00 0.00 WAT +ATOM 52390 H2 TIP3 15360 -17.670 32.013 26.421 1.00 0.00 WAT +ATOM 52391 OH2 TIP3 15361 -15.368 37.033 30.845 1.00 0.00 WAT +ATOM 52392 H1 TIP3 15361 -15.958 36.864 31.606 1.00 0.00 WAT +ATOM 52393 H2 TIP3 15361 -16.029 36.926 30.136 1.00 0.00 WAT +ATOM 52394 OH2 TIP3 15362 -11.709 35.052 31.841 1.00 0.00 WAT +ATOM 52395 H1 TIP3 15362 -11.639 34.135 31.507 1.00 0.00 WAT +ATOM 52396 H2 TIP3 15362 -11.811 34.884 32.790 1.00 0.00 WAT +ATOM 52397 OH2 TIP3 15363 -21.169 35.941 30.772 1.00 0.00 WAT +ATOM 52398 H1 TIP3 15363 -21.267 35.233 30.116 1.00 0.00 WAT +ATOM 52399 H2 TIP3 15363 -21.387 35.473 31.600 1.00 0.00 WAT +ATOM 52400 OH2 TIP3 15364 -17.112 31.951 29.803 1.00 0.00 WAT +ATOM 52401 H1 TIP3 15364 -16.543 31.164 29.829 1.00 0.00 WAT +ATOM 52402 H2 TIP3 15364 -17.177 32.094 28.838 1.00 0.00 WAT +ATOM 52403 OH2 TIP3 15365 -16.109 33.864 31.641 1.00 0.00 WAT +ATOM 52404 H1 TIP3 15365 -16.424 33.249 30.947 1.00 0.00 WAT +ATOM 52405 H2 TIP3 15365 -16.832 34.516 31.681 1.00 0.00 WAT +ATOM 52406 OH2 TIP3 15366 -6.813 43.643 17.634 1.00 0.00 WAT +ATOM 52407 H1 TIP3 15366 -5.870 43.611 17.427 1.00 0.00 WAT +ATOM 52408 H2 TIP3 15366 -6.991 42.789 18.055 1.00 0.00 WAT +ATOM 52409 OH2 TIP3 15367 -6.446 41.310 19.247 1.00 0.00 WAT +ATOM 52410 H1 TIP3 15367 -7.231 40.878 19.640 1.00 0.00 WAT +ATOM 52411 H2 TIP3 15367 -5.898 41.517 20.023 1.00 0.00 WAT +ATOM 52412 OH2 TIP3 15368 -6.272 40.933 15.765 1.00 0.00 WAT +ATOM 52413 H1 TIP3 15368 -6.900 41.153 15.051 1.00 0.00 WAT +ATOM 52414 H2 TIP3 15368 -6.409 41.673 16.367 1.00 0.00 WAT +ATOM 52415 OH2 TIP3 15369 -7.997 38.432 14.105 1.00 0.00 WAT +ATOM 52416 H1 TIP3 15369 -7.802 39.059 13.393 1.00 0.00 WAT +ATOM 52417 H2 TIP3 15369 -8.244 37.621 13.617 1.00 0.00 WAT +ATOM 52418 OH2 TIP3 15370 -8.712 39.655 19.992 1.00 0.00 WAT +ATOM 52419 H1 TIP3 15370 -8.736 38.695 19.845 1.00 0.00 WAT +ATOM 52420 H2 TIP3 15370 -9.078 39.728 20.900 1.00 0.00 WAT +ATOM 52421 OH2 TIP3 15371 -23.856 41.873 23.967 1.00 0.00 WAT +ATOM 52422 H1 TIP3 15371 -23.765 42.039 23.015 1.00 0.00 WAT +ATOM 52423 H2 TIP3 15371 -22.946 41.607 24.213 1.00 0.00 WAT +ATOM 52424 OH2 TIP3 15372 -7.860 41.653 29.200 1.00 0.00 WAT +ATOM 52425 H1 TIP3 15372 -7.148 41.019 29.436 1.00 0.00 WAT +ATOM 52426 H2 TIP3 15372 -7.392 42.497 29.084 1.00 0.00 WAT +ATOM 52427 OH2 TIP3 15373 -6.467 39.637 30.298 1.00 0.00 WAT +ATOM 52428 H1 TIP3 15373 -7.261 39.077 30.199 1.00 0.00 WAT +ATOM 52429 H2 TIP3 15373 -5.765 38.971 30.412 1.00 0.00 WAT +ATOM 52430 OH2 TIP3 15374 -8.549 35.790 13.297 1.00 0.00 WAT +ATOM 52431 H1 TIP3 15374 -7.977 35.279 13.896 1.00 0.00 WAT +ATOM 52432 H2 TIP3 15374 -9.351 35.250 13.226 1.00 0.00 WAT +ATOM 52433 OH2 TIP3 15375 -8.721 37.063 18.262 1.00 0.00 WAT +ATOM 52434 H1 TIP3 15375 -8.489 36.110 18.308 1.00 0.00 WAT +ATOM 52435 H2 TIP3 15375 -7.918 37.415 17.838 1.00 0.00 WAT +ATOM 52436 OH2 TIP3 15376 -8.508 37.682 23.679 1.00 0.00 WAT +ATOM 52437 H1 TIP3 15376 -7.536 37.787 23.652 1.00 0.00 WAT +ATOM 52438 H2 TIP3 15376 -8.658 37.699 24.638 1.00 0.00 WAT +ATOM 52439 OH2 TIP3 15377 -8.382 38.387 26.547 1.00 0.00 WAT +ATOM 52440 H1 TIP3 15377 -9.239 38.811 26.746 1.00 0.00 WAT +ATOM 52441 H2 TIP3 15377 -7.844 39.154 26.266 1.00 0.00 WAT +ATOM 52442 OH2 TIP3 15378 -23.866 37.158 30.167 1.00 0.00 WAT +ATOM 52443 H1 TIP3 15378 -22.929 36.901 30.205 1.00 0.00 WAT +ATOM 52444 H2 TIP3 15378 -24.306 36.293 30.251 1.00 0.00 WAT +ATOM 52445 OH2 TIP3 15379 -5.819 32.526 31.759 1.00 0.00 WAT +ATOM 52446 H1 TIP3 15379 -5.366 31.843 31.230 1.00 0.00 WAT +ATOM 52447 H2 TIP3 15379 -5.745 33.312 31.187 1.00 0.00 WAT +ATOM 52448 OH2 TIP3 15380 -8.268 34.272 18.223 1.00 0.00 WAT +ATOM 52449 H1 TIP3 15380 -8.165 33.925 19.126 1.00 0.00 WAT +ATOM 52450 H2 TIP3 15380 -9.059 33.778 17.921 1.00 0.00 WAT +ATOM 52451 OH2 TIP3 15381 -23.080 35.460 22.992 1.00 0.00 WAT +ATOM 52452 H1 TIP3 15381 -22.601 34.614 23.050 1.00 0.00 WAT +ATOM 52453 H2 TIP3 15381 -22.400 36.077 23.321 1.00 0.00 WAT +ATOM 52454 OH2 TIP3 15382 -24.535 38.142 24.040 1.00 0.00 WAT +ATOM 52455 H1 TIP3 15382 -23.949 38.127 23.266 1.00 0.00 WAT +ATOM 52456 H2 TIP3 15382 -24.223 38.937 24.492 1.00 0.00 WAT +ATOM 52457 OH2 TIP3 15383 -6.398 34.611 29.991 1.00 0.00 WAT +ATOM 52458 H1 TIP3 15383 -7.292 34.968 30.144 1.00 0.00 WAT +ATOM 52459 H2 TIP3 15383 -6.558 34.039 29.219 1.00 0.00 WAT +ATOM 52460 OH2 TIP3 15384 -6.297 34.753 14.898 1.00 0.00 WAT +ATOM 52461 H1 TIP3 15384 -6.000 33.950 14.436 1.00 0.00 WAT +ATOM 52462 H2 TIP3 15384 -5.479 35.272 14.946 1.00 0.00 WAT +ATOM 52463 OH2 TIP3 15385 -24.163 34.486 18.013 1.00 0.00 WAT +ATOM 52464 H1 TIP3 15385 -25.092 34.611 17.771 1.00 0.00 WAT +ATOM 52465 H2 TIP3 15385 -23.696 35.092 17.407 1.00 0.00 WAT +ATOM 52466 OH2 TIP3 15386 -24.001 33.362 26.225 1.00 0.00 WAT +ATOM 52467 H1 TIP3 15386 -24.709 33.113 26.834 1.00 0.00 WAT +ATOM 52468 H2 TIP3 15386 -24.488 33.901 25.575 1.00 0.00 WAT +ATOM 52469 OH2 TIP3 15387 -7.569 32.805 28.025 1.00 0.00 WAT +ATOM 52470 H1 TIP3 15387 -8.359 32.963 27.481 1.00 0.00 WAT +ATOM 52471 H2 TIP3 15387 -7.309 31.913 27.710 1.00 0.00 WAT +ATOM 52472 OH2 TIP3 15388 -14.113 34.292 22.502 1.00 0.00 WAT +ATOM 52473 H1 TIP3 15388 -14.805 33.613 22.624 1.00 0.00 WAT +ATOM 52474 H2 TIP3 15388 -13.518 33.849 21.876 1.00 0.00 WAT +ATOM 52475 OH2 TIP3 15389 -9.169 32.392 22.978 1.00 0.00 WAT +ATOM 52476 H1 TIP3 15389 -8.400 32.764 22.512 1.00 0.00 WAT +ATOM 52477 H2 TIP3 15389 -9.900 32.581 22.365 1.00 0.00 WAT +ATOM 52478 OH2 TIP3 15390 -7.072 33.428 20.840 1.00 0.00 WAT +ATOM 52479 H1 TIP3 15390 -6.379 32.994 20.309 1.00 0.00 WAT +ATOM 52480 H2 TIP3 15390 -6.748 34.348 20.886 1.00 0.00 WAT +ATOM 52481 OH2 TIP3 15391 -21.782 33.004 20.051 1.00 0.00 WAT +ATOM 52482 H1 TIP3 15391 -22.636 32.852 19.601 1.00 0.00 WAT +ATOM 52483 H2 TIP3 15391 -21.333 32.152 19.891 1.00 0.00 WAT +ATOM 52484 OH2 TIP3 15392 -22.958 32.504 15.935 1.00 0.00 WAT +ATOM 52485 H1 TIP3 15392 -22.427 33.139 15.415 1.00 0.00 WAT +ATOM 52486 H2 TIP3 15392 -23.370 33.081 16.598 1.00 0.00 WAT +ATOM 52487 OH2 TIP3 15393 -17.304 32.861 19.921 1.00 0.00 WAT +ATOM 52488 H1 TIP3 15393 -16.383 33.122 19.754 1.00 0.00 WAT +ATOM 52489 H2 TIP3 15393 -17.290 32.726 20.875 1.00 0.00 WAT +ATOM 52490 OH2 TIP3 15394 -11.695 32.881 21.333 1.00 0.00 WAT +ATOM 52491 H1 TIP3 15394 -11.423 32.706 20.421 1.00 0.00 WAT +ATOM 52492 H2 TIP3 15394 -12.089 32.022 21.584 1.00 0.00 WAT +ATOM 52493 OH2 TIP3 15395 -10.584 32.888 17.309 1.00 0.00 WAT +ATOM 52494 H1 TIP3 15395 -11.415 33.375 17.155 1.00 0.00 WAT +ATOM 52495 H2 TIP3 15395 -10.925 31.993 17.486 1.00 0.00 WAT +ATOM 52496 OH2 TIP3 15396 -21.241 34.265 14.366 1.00 0.00 WAT +ATOM 52497 H1 TIP3 15396 -20.594 33.772 13.834 1.00 0.00 WAT +ATOM 52498 H2 TIP3 15396 -20.658 34.651 15.049 1.00 0.00 WAT +ATOM 52499 OH2 TIP3 15397 -16.158 34.501 16.969 1.00 0.00 WAT +ATOM 52500 H1 TIP3 15397 -15.785 33.925 17.654 1.00 0.00 WAT +ATOM 52501 H2 TIP3 15397 -15.944 35.372 17.341 1.00 0.00 WAT +ATOM 52502 OH2 TIP3 15398 -21.965 33.237 29.556 1.00 0.00 WAT +ATOM 52503 H1 TIP3 15398 -22.364 32.428 29.924 1.00 0.00 WAT +ATOM 52504 H2 TIP3 15398 -21.041 33.124 29.831 1.00 0.00 WAT +ATOM 52505 OH2 TIP3 15399 -19.570 32.640 31.316 1.00 0.00 WAT +ATOM 52506 H1 TIP3 15399 -18.753 32.292 30.907 1.00 0.00 WAT +ATOM 52507 H2 TIP3 15399 -19.931 31.837 31.728 1.00 0.00 WAT +ATOM 52508 OH2 TIP3 15400 -11.426 32.039 31.492 1.00 0.00 WAT +ATOM 52509 H1 TIP3 15400 -11.448 31.531 32.325 1.00 0.00 WAT +ATOM 52510 H2 TIP3 15400 -10.491 31.926 31.230 1.00 0.00 WAT +ATOM 52511 OH2 TIP3 15401 6.065 42.043 20.236 1.00 0.00 WAT +ATOM 52512 H1 TIP3 15401 5.839 42.957 20.015 1.00 0.00 WAT +ATOM 52513 H2 TIP3 15401 5.397 41.569 19.718 1.00 0.00 WAT +ATOM 52514 OH2 TIP3 15402 -2.579 40.781 24.960 1.00 0.00 WAT +ATOM 52515 H1 TIP3 15402 -2.630 40.062 25.613 1.00 0.00 WAT +ATOM 52516 H2 TIP3 15402 -1.942 41.369 25.385 1.00 0.00 WAT +ATOM 52517 OH2 TIP3 15403 -4.924 38.875 18.936 1.00 0.00 WAT +ATOM 52518 H1 TIP3 15403 -5.390 39.728 18.983 1.00 0.00 WAT +ATOM 52519 H2 TIP3 15403 -5.599 38.312 18.537 1.00 0.00 WAT +ATOM 52520 OH2 TIP3 15404 -3.936 41.367 20.836 1.00 0.00 WAT +ATOM 52521 H1 TIP3 15404 -3.984 40.535 21.347 1.00 0.00 WAT +ATOM 52522 H2 TIP3 15404 -3.209 41.153 20.239 1.00 0.00 WAT +ATOM 52523 OH2 TIP3 15405 12.059 35.306 24.533 1.00 0.00 WAT +ATOM 52524 H1 TIP3 15405 12.363 35.858 25.273 1.00 0.00 WAT +ATOM 52525 H2 TIP3 15405 12.718 35.544 23.853 1.00 0.00 WAT +ATOM 52526 OH2 TIP3 15406 6.635 38.244 24.445 1.00 0.00 WAT +ATOM 52527 H1 TIP3 15406 6.758 37.353 24.814 1.00 0.00 WAT +ATOM 52528 H2 TIP3 15406 6.631 38.042 23.493 1.00 0.00 WAT +ATOM 52529 OH2 TIP3 15407 -0.282 36.066 21.530 1.00 0.00 WAT +ATOM 52530 H1 TIP3 15407 -0.146 36.907 21.051 1.00 0.00 WAT +ATOM 52531 H2 TIP3 15407 -0.617 35.515 20.794 1.00 0.00 WAT +ATOM 52532 OH2 TIP3 15408 7.577 36.236 19.842 1.00 0.00 WAT +ATOM 52533 H1 TIP3 15408 8.158 35.787 20.496 1.00 0.00 WAT +ATOM 52534 H2 TIP3 15408 8.240 36.659 19.276 1.00 0.00 WAT +ATOM 52535 OH2 TIP3 15409 -3.599 38.784 22.021 1.00 0.00 WAT +ATOM 52536 H1 TIP3 15409 -2.981 38.302 22.592 1.00 0.00 WAT +ATOM 52537 H2 TIP3 15409 -3.514 38.289 21.186 1.00 0.00 WAT +ATOM 52538 OH2 TIP3 15410 1.810 40.189 21.513 1.00 0.00 WAT +ATOM 52539 H1 TIP3 15410 2.486 39.621 21.924 1.00 0.00 WAT +ATOM 52540 H2 TIP3 15410 1.281 39.536 21.011 1.00 0.00 WAT +ATOM 52541 OH2 TIP3 15411 12.833 36.622 27.053 1.00 0.00 WAT +ATOM 52542 H1 TIP3 15411 12.253 37.353 26.776 1.00 0.00 WAT +ATOM 52543 H2 TIP3 15411 12.598 36.556 27.988 1.00 0.00 WAT +ATOM 52544 OH2 TIP3 15412 -1.463 34.853 25.680 1.00 0.00 WAT +ATOM 52545 H1 TIP3 15412 -1.892 35.333 24.956 1.00 0.00 WAT +ATOM 52546 H2 TIP3 15412 -2.124 34.975 26.392 1.00 0.00 WAT +ATOM 52547 OH2 TIP3 15413 1.202 42.609 25.502 1.00 0.00 WAT +ATOM 52548 H1 TIP3 15413 0.393 43.143 25.518 1.00 0.00 WAT +ATOM 52549 H2 TIP3 15413 1.860 43.318 25.428 1.00 0.00 WAT +ATOM 52550 OH2 TIP3 15414 9.386 35.488 21.869 1.00 0.00 WAT +ATOM 52551 H1 TIP3 15414 9.039 34.852 22.507 1.00 0.00 WAT +ATOM 52552 H2 TIP3 15414 9.951 36.043 22.429 1.00 0.00 WAT +ATOM 52553 OH2 TIP3 15415 -1.876 36.893 23.623 1.00 0.00 WAT +ATOM 52554 H1 TIP3 15415 -1.229 37.470 24.070 1.00 0.00 WAT +ATOM 52555 H2 TIP3 15415 -1.313 36.516 22.910 1.00 0.00 WAT +ATOM 52556 OH2 TIP3 15416 9.522 34.637 25.714 1.00 0.00 WAT +ATOM 52557 H1 TIP3 15416 8.750 35.001 25.242 1.00 0.00 WAT +ATOM 52558 H2 TIP3 15416 10.250 34.806 25.086 1.00 0.00 WAT +ATOM 52559 OH2 TIP3 15417 2.663 32.337 22.771 1.00 0.00 WAT +ATOM 52560 H1 TIP3 15417 2.448 31.386 22.715 1.00 0.00 WAT +ATOM 52561 H2 TIP3 15417 1.835 32.704 23.147 1.00 0.00 WAT +ATOM 52562 OH2 TIP3 15418 4.644 41.474 17.520 1.00 0.00 WAT +ATOM 52563 H1 TIP3 15418 3.976 41.730 16.872 1.00 0.00 WAT +ATOM 52564 H2 TIP3 15418 5.413 41.334 16.935 1.00 0.00 WAT +ATOM 52565 OH2 TIP3 15419 5.041 39.418 14.713 1.00 0.00 WAT +ATOM 52566 H1 TIP3 15419 5.787 39.794 15.213 1.00 0.00 WAT +ATOM 52567 H2 TIP3 15419 5.515 38.921 14.031 1.00 0.00 WAT +ATOM 52568 OH2 TIP3 15420 12.088 40.465 25.673 1.00 0.00 WAT +ATOM 52569 H1 TIP3 15420 11.565 41.241 25.949 1.00 0.00 WAT +ATOM 52570 H2 TIP3 15420 12.706 40.918 25.066 1.00 0.00 WAT +ATOM 52571 OH2 TIP3 15421 8.357 41.386 18.537 1.00 0.00 WAT +ATOM 52572 H1 TIP3 15421 7.707 41.604 19.224 1.00 0.00 WAT +ATOM 52573 H2 TIP3 15421 9.021 40.877 19.038 1.00 0.00 WAT +ATOM 52574 OH2 TIP3 15422 7.891 39.848 27.331 1.00 0.00 WAT +ATOM 52575 H1 TIP3 15422 7.941 40.351 28.162 1.00 0.00 WAT +ATOM 52576 H2 TIP3 15422 7.469 40.505 26.775 1.00 0.00 WAT +ATOM 52577 OH2 TIP3 15423 -0.114 42.063 20.467 1.00 0.00 WAT +ATOM 52578 H1 TIP3 15423 -0.350 41.822 19.551 1.00 0.00 WAT +ATOM 52579 H2 TIP3 15423 0.648 41.483 20.631 1.00 0.00 WAT +ATOM 52580 OH2 TIP3 15424 0.457 40.629 23.885 1.00 0.00 WAT +ATOM 52581 H1 TIP3 15424 0.969 40.730 23.059 1.00 0.00 WAT +ATOM 52582 H2 TIP3 15424 0.715 41.422 24.401 1.00 0.00 WAT +ATOM 52583 OH2 TIP3 15425 7.146 40.764 16.168 1.00 0.00 WAT +ATOM 52584 H1 TIP3 15425 7.755 41.005 16.903 1.00 0.00 WAT +ATOM 52585 H2 TIP3 15425 7.612 41.196 15.405 1.00 0.00 WAT +ATOM 52586 OH2 TIP3 15426 -1.732 41.456 27.729 1.00 0.00 WAT +ATOM 52587 H1 TIP3 15426 -1.615 42.085 28.479 1.00 0.00 WAT +ATOM 52588 H2 TIP3 15426 -2.700 41.464 27.663 1.00 0.00 WAT +ATOM 52589 OH2 TIP3 15427 10.662 32.471 15.579 1.00 0.00 WAT +ATOM 52590 H1 TIP3 15427 9.789 32.561 16.003 1.00 0.00 WAT +ATOM 52591 H2 TIP3 15427 11.012 33.373 15.641 1.00 0.00 WAT +ATOM 52592 OH2 TIP3 15428 -1.287 40.909 18.008 1.00 0.00 WAT +ATOM 52593 H1 TIP3 15428 -1.412 41.669 17.401 1.00 0.00 WAT +ATOM 52594 H2 TIP3 15428 -1.849 40.233 17.608 1.00 0.00 WAT +ATOM 52595 OH2 TIP3 15429 -4.867 43.179 26.561 1.00 0.00 WAT +ATOM 52596 H1 TIP3 15429 -5.468 42.991 25.830 1.00 0.00 WAT +ATOM 52597 H2 TIP3 15429 -4.959 42.394 27.134 1.00 0.00 WAT +ATOM 52598 OH2 TIP3 15430 10.081 38.363 29.790 1.00 0.00 WAT +ATOM 52599 H1 TIP3 15430 9.648 38.714 29.003 1.00 0.00 WAT +ATOM 52600 H2 TIP3 15430 10.138 37.417 29.556 1.00 0.00 WAT +ATOM 52601 OH2 TIP3 15431 0.241 33.501 23.685 1.00 0.00 WAT +ATOM 52602 H1 TIP3 15431 -0.566 33.416 23.148 1.00 0.00 WAT +ATOM 52603 H2 TIP3 15431 -0.034 34.207 24.290 1.00 0.00 WAT +ATOM 52604 OH2 TIP3 15432 4.605 33.062 27.320 1.00 0.00 WAT +ATOM 52605 H1 TIP3 15432 5.138 32.540 27.954 1.00 0.00 WAT +ATOM 52606 H2 TIP3 15432 3.705 32.710 27.455 1.00 0.00 WAT +ATOM 52607 OH2 TIP3 15433 7.741 36.828 27.824 1.00 0.00 WAT +ATOM 52608 H1 TIP3 15433 7.160 36.646 28.589 1.00 0.00 WAT +ATOM 52609 H2 TIP3 15433 7.601 37.776 27.664 1.00 0.00 WAT +ATOM 52610 OH2 TIP3 15434 8.550 41.752 14.106 1.00 0.00 WAT +ATOM 52611 H1 TIP3 15434 8.489 41.586 13.150 1.00 0.00 WAT +ATOM 52612 H2 TIP3 15434 9.441 42.151 14.167 1.00 0.00 WAT +ATOM 52613 OH2 TIP3 15435 4.408 35.577 14.594 1.00 0.00 WAT +ATOM 52614 H1 TIP3 15435 3.914 35.425 15.412 1.00 0.00 WAT +ATOM 52615 H2 TIP3 15435 4.006 34.905 14.016 1.00 0.00 WAT +ATOM 52616 OH2 TIP3 15436 0.145 38.258 25.178 1.00 0.00 WAT +ATOM 52617 H1 TIP3 15436 -0.571 38.348 25.829 1.00 0.00 WAT +ATOM 52618 H2 TIP3 15436 0.153 39.138 24.734 1.00 0.00 WAT +ATOM 52619 OH2 TIP3 15437 0.044 38.363 19.961 1.00 0.00 WAT +ATOM 52620 H1 TIP3 15437 -0.913 38.262 19.799 1.00 0.00 WAT +ATOM 52621 H2 TIP3 15437 0.390 38.152 19.068 1.00 0.00 WAT +ATOM 52622 OH2 TIP3 15438 5.675 39.020 18.818 1.00 0.00 WAT +ATOM 52623 H1 TIP3 15438 5.184 39.731 18.368 1.00 0.00 WAT +ATOM 52624 H2 TIP3 15438 6.332 38.777 18.139 1.00 0.00 WAT +ATOM 52625 OH2 TIP3 15439 4.838 39.211 30.193 1.00 0.00 WAT +ATOM 52626 H1 TIP3 15439 4.331 38.429 30.490 1.00 0.00 WAT +ATOM 52627 H2 TIP3 15439 5.719 39.037 30.576 1.00 0.00 WAT +ATOM 52628 OH2 TIP3 15440 6.572 38.364 21.507 1.00 0.00 WAT +ATOM 52629 H1 TIP3 15440 6.256 38.830 20.706 1.00 0.00 WAT +ATOM 52630 H2 TIP3 15440 6.795 37.502 21.098 1.00 0.00 WAT +ATOM 52631 OH2 TIP3 15441 -2.487 38.414 26.908 1.00 0.00 WAT +ATOM 52632 H1 TIP3 15441 -2.339 38.774 27.791 1.00 0.00 WAT +ATOM 52633 H2 TIP3 15441 -2.861 37.538 27.119 1.00 0.00 WAT +ATOM 52634 OH2 TIP3 15442 0.845 36.052 13.505 1.00 0.00 WAT +ATOM 52635 H1 TIP3 15442 0.477 35.660 14.322 1.00 0.00 WAT +ATOM 52636 H2 TIP3 15442 0.060 36.154 12.954 1.00 0.00 WAT +ATOM 52637 OH2 TIP3 15443 -5.703 35.938 20.564 1.00 0.00 WAT +ATOM 52638 H1 TIP3 15443 -5.094 35.864 21.321 1.00 0.00 WAT +ATOM 52639 H2 TIP3 15443 -5.222 35.512 19.836 1.00 0.00 WAT +ATOM 52640 OH2 TIP3 15444 -4.108 36.346 16.295 1.00 0.00 WAT +ATOM 52641 H1 TIP3 15444 -3.580 36.820 15.618 1.00 0.00 WAT +ATOM 52642 H2 TIP3 15444 -4.825 36.985 16.448 1.00 0.00 WAT +ATOM 52643 OH2 TIP3 15445 2.838 36.084 21.089 1.00 0.00 WAT +ATOM 52644 H1 TIP3 15445 1.893 35.917 21.248 1.00 0.00 WAT +ATOM 52645 H2 TIP3 15445 3.244 35.701 21.887 1.00 0.00 WAT +ATOM 52646 OH2 TIP3 15446 -2.628 37.173 19.678 1.00 0.00 WAT +ATOM 52647 H1 TIP3 15446 -3.441 37.424 19.204 1.00 0.00 WAT +ATOM 52648 H2 TIP3 15446 -2.332 36.376 19.199 1.00 0.00 WAT +ATOM 52649 OH2 TIP3 15447 1.005 37.549 17.381 1.00 0.00 WAT +ATOM 52650 H1 TIP3 15447 1.977 37.579 17.385 1.00 0.00 WAT +ATOM 52651 H2 TIP3 15447 0.757 38.086 16.608 1.00 0.00 WAT +ATOM 52652 OH2 TIP3 15448 7.194 35.137 24.020 1.00 0.00 WAT +ATOM 52653 H1 TIP3 15448 6.541 35.131 24.752 1.00 0.00 WAT +ATOM 52654 H2 TIP3 15448 6.645 34.786 23.300 1.00 0.00 WAT +ATOM 52655 OH2 TIP3 15449 -0.547 38.773 15.140 1.00 0.00 WAT +ATOM 52656 H1 TIP3 15449 -1.117 38.442 14.429 1.00 0.00 WAT +ATOM 52657 H2 TIP3 15449 0.269 38.968 14.644 1.00 0.00 WAT +ATOM 52658 OH2 TIP3 15450 -1.666 43.172 29.783 1.00 0.00 WAT +ATOM 52659 H1 TIP3 15450 -1.075 43.622 30.421 1.00 0.00 WAT +ATOM 52660 H2 TIP3 15450 -2.456 43.048 30.352 1.00 0.00 WAT +ATOM 52661 OH2 TIP3 15451 4.005 38.771 23.082 1.00 0.00 WAT +ATOM 52662 H1 TIP3 15451 4.448 38.251 22.396 1.00 0.00 WAT +ATOM 52663 H2 TIP3 15451 3.684 38.060 23.681 1.00 0.00 WAT +ATOM 52664 OH2 TIP3 15452 -0.874 34.898 19.010 1.00 0.00 WAT +ATOM 52665 H1 TIP3 15452 -1.439 34.116 19.135 1.00 0.00 WAT +ATOM 52666 H2 TIP3 15452 -0.085 34.514 18.602 1.00 0.00 WAT +ATOM 52667 OH2 TIP3 15453 2.838 37.038 24.948 1.00 0.00 WAT +ATOM 52668 H1 TIP3 15453 1.988 37.486 25.103 1.00 0.00 WAT +ATOM 52669 H2 TIP3 15453 3.314 37.152 25.794 1.00 0.00 WAT +ATOM 52670 OH2 TIP3 15454 2.414 43.631 17.337 1.00 0.00 WAT +ATOM 52671 H1 TIP3 15454 2.127 43.059 16.600 1.00 0.00 WAT +ATOM 52672 H2 TIP3 15454 3.145 43.162 17.745 1.00 0.00 WAT +ATOM 52673 OH2 TIP3 15455 10.171 42.571 25.588 1.00 0.00 WAT +ATOM 52674 H1 TIP3 15455 10.790 42.987 24.971 1.00 0.00 WAT +ATOM 52675 H2 TIP3 15455 9.367 42.717 25.075 1.00 0.00 WAT +ATOM 52676 OH2 TIP3 15456 7.089 36.149 14.760 1.00 0.00 WAT +ATOM 52677 H1 TIP3 15456 6.107 36.136 14.694 1.00 0.00 WAT +ATOM 52678 H2 TIP3 15456 7.264 36.899 15.359 1.00 0.00 WAT +ATOM 52679 OH2 TIP3 15457 7.767 37.993 16.850 1.00 0.00 WAT +ATOM 52680 H1 TIP3 15457 8.659 37.812 17.206 1.00 0.00 WAT +ATOM 52681 H2 TIP3 15457 7.901 38.832 16.376 1.00 0.00 WAT +ATOM 52682 OH2 TIP3 15458 -1.567 42.543 22.723 1.00 0.00 WAT +ATOM 52683 H1 TIP3 15458 -1.043 42.402 21.905 1.00 0.00 WAT +ATOM 52684 H2 TIP3 15458 -1.625 41.644 23.081 1.00 0.00 WAT +ATOM 52685 OH2 TIP3 15459 -4.740 40.909 28.111 1.00 0.00 WAT +ATOM 52686 H1 TIP3 15459 -4.554 40.450 28.954 1.00 0.00 WAT +ATOM 52687 H2 TIP3 15459 -5.331 40.292 27.653 1.00 0.00 WAT +ATOM 52688 OH2 TIP3 15460 2.293 40.527 30.073 1.00 0.00 WAT +ATOM 52689 H1 TIP3 15460 1.893 40.198 29.250 1.00 0.00 WAT +ATOM 52690 H2 TIP3 15460 3.231 40.284 29.954 1.00 0.00 WAT +ATOM 52691 OH2 TIP3 15461 12.345 37.983 16.538 1.00 0.00 WAT +ATOM 52692 H1 TIP3 15461 11.810 37.782 15.744 1.00 0.00 WAT +ATOM 52693 H2 TIP3 15461 12.482 38.937 16.381 1.00 0.00 WAT +ATOM 52694 OH2 TIP3 15462 -3.628 40.936 14.577 1.00 0.00 WAT +ATOM 52695 H1 TIP3 15462 -3.039 41.546 15.047 1.00 0.00 WAT +ATOM 52696 H2 TIP3 15462 -4.482 41.112 15.024 1.00 0.00 WAT +ATOM 52697 OH2 TIP3 15463 -3.358 35.653 27.663 1.00 0.00 WAT +ATOM 52698 H1 TIP3 15463 -4.271 35.888 27.407 1.00 0.00 WAT +ATOM 52699 H2 TIP3 15463 -3.494 34.783 28.080 1.00 0.00 WAT +ATOM 52700 OH2 TIP3 15464 -1.858 -43.865 16.437 1.00 0.00 WAT +ATOM 52701 H1 TIP3 15464 -2.770 -43.523 16.550 1.00 0.00 WAT +ATOM 52702 H2 TIP3 15464 -1.401 -43.055 16.165 1.00 0.00 WAT +ATOM 52703 OH2 TIP3 15465 5.588 35.505 26.226 1.00 0.00 WAT +ATOM 52704 H1 TIP3 15465 6.219 35.730 26.927 1.00 0.00 WAT +ATOM 52705 H2 TIP3 15465 5.120 34.737 26.615 1.00 0.00 WAT +ATOM 52706 OH2 TIP3 15466 6.216 34.943 17.479 1.00 0.00 WAT +ATOM 52707 H1 TIP3 15466 6.429 35.432 16.668 1.00 0.00 WAT +ATOM 52708 H2 TIP3 15466 6.730 35.421 18.150 1.00 0.00 WAT +ATOM 52709 OH2 TIP3 15467 3.661 36.938 18.429 1.00 0.00 WAT +ATOM 52710 H1 TIP3 15467 4.453 37.486 18.570 1.00 0.00 WAT +ATOM 52711 H2 TIP3 15467 3.366 36.773 19.345 1.00 0.00 WAT +ATOM 52712 OH2 TIP3 15468 4.048 37.941 27.554 1.00 0.00 WAT +ATOM 52713 H1 TIP3 15468 4.210 38.506 28.328 1.00 0.00 WAT +ATOM 52714 H2 TIP3 15468 4.592 37.172 27.769 1.00 0.00 WAT +ATOM 52715 OH2 TIP3 15469 4.248 33.949 19.357 1.00 0.00 WAT +ATOM 52716 H1 TIP3 15469 4.105 34.636 20.031 1.00 0.00 WAT +ATOM 52717 H2 TIP3 15469 4.981 34.339 18.839 1.00 0.00 WAT +ATOM 52718 OH2 TIP3 15470 -0.026 34.939 15.887 1.00 0.00 WAT +ATOM 52719 H1 TIP3 15470 -0.001 35.694 16.497 1.00 0.00 WAT +ATOM 52720 H2 TIP3 15470 0.786 34.458 16.147 1.00 0.00 WAT +ATOM 52721 OH2 TIP3 15471 10.315 35.846 28.463 1.00 0.00 WAT +ATOM 52722 H1 TIP3 15471 9.356 35.962 28.317 1.00 0.00 WAT +ATOM 52723 H2 TIP3 15471 10.566 35.593 27.562 1.00 0.00 WAT +ATOM 52724 OH2 TIP3 15472 8.464 39.933 22.887 1.00 0.00 WAT +ATOM 52725 H1 TIP3 15472 7.980 39.363 22.264 1.00 0.00 WAT +ATOM 52726 H2 TIP3 15472 9.201 39.346 23.162 1.00 0.00 WAT +ATOM 52727 OH2 TIP3 15473 -3.498 38.001 14.112 1.00 0.00 WAT +ATOM 52728 H1 TIP3 15473 -3.359 38.949 14.269 1.00 0.00 WAT +ATOM 52729 H2 TIP3 15473 -4.328 37.994 13.620 1.00 0.00 WAT +ATOM 52730 OH2 TIP3 15474 -2.557 33.047 22.862 1.00 0.00 WAT +ATOM 52731 H1 TIP3 15474 -2.727 33.016 21.898 1.00 0.00 WAT +ATOM 52732 H2 TIP3 15474 -2.885 32.178 23.161 1.00 0.00 WAT +ATOM 52733 OH2 TIP3 15475 -4.080 43.124 30.987 1.00 0.00 WAT +ATOM 52734 H1 TIP3 15475 -4.207 42.163 31.087 1.00 0.00 WAT +ATOM 52735 H2 TIP3 15475 -4.936 43.421 30.661 1.00 0.00 WAT +ATOM 52736 OH2 TIP3 15476 1.861 43.293 30.442 1.00 0.00 WAT +ATOM 52737 H1 TIP3 15476 1.872 43.447 29.477 1.00 0.00 WAT +ATOM 52738 H2 TIP3 15476 2.207 42.378 30.491 1.00 0.00 WAT +ATOM 52739 OH2 TIP3 15477 7.826 -43.781 28.074 1.00 0.00 WAT +ATOM 52740 H1 TIP3 15477 8.645 -43.329 27.828 1.00 0.00 WAT +ATOM 52741 H2 TIP3 15477 7.206 -43.042 28.121 1.00 0.00 WAT +ATOM 52742 OH2 TIP3 15478 -3.469 40.255 30.648 1.00 0.00 WAT +ATOM 52743 H1 TIP3 15478 -2.695 39.666 30.594 1.00 0.00 WAT +ATOM 52744 H2 TIP3 15478 -3.482 40.444 31.605 1.00 0.00 WAT +ATOM 52745 OH2 TIP3 15479 1.106 41.604 15.724 1.00 0.00 WAT +ATOM 52746 H1 TIP3 15479 0.441 41.177 16.277 1.00 0.00 WAT +ATOM 52747 H2 TIP3 15479 1.251 40.935 15.027 1.00 0.00 WAT +ATOM 52748 OH2 TIP3 15480 0.356 39.415 28.090 1.00 0.00 WAT +ATOM 52749 H1 TIP3 15480 -0.320 40.092 28.277 1.00 0.00 WAT +ATOM 52750 H2 TIP3 15480 0.680 39.703 27.231 1.00 0.00 WAT +ATOM 52751 OH2 TIP3 15481 1.927 39.575 13.986 1.00 0.00 WAT +ATOM 52752 H1 TIP3 15481 1.893 39.699 13.019 1.00 0.00 WAT +ATOM 52753 H2 TIP3 15481 2.888 39.559 14.143 1.00 0.00 WAT +ATOM 52754 OH2 TIP3 15482 5.525 42.163 31.539 1.00 0.00 WAT +ATOM 52755 H1 TIP3 15482 6.420 41.929 31.281 1.00 0.00 WAT +ATOM 52756 H2 TIP3 15482 5.167 41.326 31.849 1.00 0.00 WAT +ATOM 52757 OH2 TIP3 15483 11.210 41.887 13.209 1.00 0.00 WAT +ATOM 52758 H1 TIP3 15483 11.142 41.827 12.242 1.00 0.00 WAT +ATOM 52759 H2 TIP3 15483 11.272 42.851 13.373 1.00 0.00 WAT +ATOM 52760 OH2 TIP3 15484 0.799 36.623 29.151 1.00 0.00 WAT +ATOM 52761 H1 TIP3 15484 0.874 35.971 28.430 1.00 0.00 WAT +ATOM 52762 H2 TIP3 15484 0.620 37.442 28.662 1.00 0.00 WAT +ATOM 52763 OH2 TIP3 15485 1.143 35.131 26.597 1.00 0.00 WAT +ATOM 52764 H1 TIP3 15485 1.645 35.594 25.907 1.00 0.00 WAT +ATOM 52765 H2 TIP3 15485 0.228 35.123 26.245 1.00 0.00 WAT +ATOM 52766 OH2 TIP3 15486 3.221 40.965 26.822 1.00 0.00 WAT +ATOM 52767 H1 TIP3 15486 3.283 40.245 26.192 1.00 0.00 WAT +ATOM 52768 H2 TIP3 15486 2.447 41.473 26.531 1.00 0.00 WAT +ATOM 52769 OH2 TIP3 15487 7.290 38.490 31.766 1.00 0.00 WAT +ATOM 52770 H1 TIP3 15487 7.462 37.551 31.942 1.00 0.00 WAT +ATOM 52771 H2 TIP3 15487 8.191 38.844 31.739 1.00 0.00 WAT +ATOM 52772 OH2 TIP3 15488 8.258 41.272 29.995 1.00 0.00 WAT +ATOM 52773 H1 TIP3 15488 8.023 42.032 29.422 1.00 0.00 WAT +ATOM 52774 H2 TIP3 15488 9.212 41.198 29.806 1.00 0.00 WAT +ATOM 52775 OH2 TIP3 15489 -1.054 38.528 30.877 1.00 0.00 WAT +ATOM 52776 H1 TIP3 15489 -1.549 37.691 30.944 1.00 0.00 WAT +ATOM 52777 H2 TIP3 15489 -0.202 38.221 30.529 1.00 0.00 WAT +ATOM 52778 OH2 TIP3 15490 1.859 32.436 26.957 1.00 0.00 WAT +ATOM 52779 H1 TIP3 15490 1.678 33.385 26.796 1.00 0.00 WAT +ATOM 52780 H2 TIP3 15490 1.165 32.010 26.417 1.00 0.00 WAT +ATOM 52781 OH2 TIP3 15491 3.134 37.019 30.716 1.00 0.00 WAT +ATOM 52782 H1 TIP3 15491 2.810 36.806 31.608 1.00 0.00 WAT +ATOM 52783 H2 TIP3 15491 2.331 36.808 30.197 1.00 0.00 WAT +ATOM 52784 OH2 TIP3 15492 5.664 36.062 29.599 1.00 0.00 WAT +ATOM 52785 H1 TIP3 15492 4.781 36.118 30.013 1.00 0.00 WAT +ATOM 52786 H2 TIP3 15492 6.118 35.428 30.188 1.00 0.00 WAT +ATOM 52787 OH2 TIP3 15493 7.504 34.545 31.319 1.00 0.00 WAT +ATOM 52788 H1 TIP3 15493 7.363 33.590 31.476 1.00 0.00 WAT +ATOM 52789 H2 TIP3 15493 7.325 34.944 32.191 1.00 0.00 WAT +ATOM 52790 OH2 TIP3 15494 -2.320 35.940 30.789 1.00 0.00 WAT +ATOM 52791 H1 TIP3 15494 -2.400 35.232 30.129 1.00 0.00 WAT +ATOM 52792 H2 TIP3 15494 -2.539 35.464 31.612 1.00 0.00 WAT +ATOM 52793 OH2 TIP3 15495 1.705 31.921 29.772 1.00 0.00 WAT +ATOM 52794 H1 TIP3 15495 2.297 31.152 29.829 1.00 0.00 WAT +ATOM 52795 H2 TIP3 15495 1.681 32.061 28.805 1.00 0.00 WAT +ATOM 52796 OH2 TIP3 15496 2.651 33.795 31.617 1.00 0.00 WAT +ATOM 52797 H1 TIP3 15496 2.353 33.195 30.903 1.00 0.00 WAT +ATOM 52798 H2 TIP3 15496 1.948 34.462 31.640 1.00 0.00 WAT +ATOM 52799 OH2 TIP3 15497 11.993 43.573 17.574 1.00 0.00 WAT +ATOM 52800 H1 TIP3 15497 12.949 43.668 17.465 1.00 0.00 WAT +ATOM 52801 H2 TIP3 15497 11.897 42.765 18.104 1.00 0.00 WAT +ATOM 52802 OH2 TIP3 15498 12.326 41.329 19.230 1.00 0.00 WAT +ATOM 52803 H1 TIP3 15498 11.615 40.865 19.702 1.00 0.00 WAT +ATOM 52804 H2 TIP3 15498 13.006 41.463 19.924 1.00 0.00 WAT +ATOM 52805 OH2 TIP3 15499 12.573 40.927 15.774 1.00 0.00 WAT +ATOM 52806 H1 TIP3 15499 11.955 41.166 15.057 1.00 0.00 WAT +ATOM 52807 H2 TIP3 15499 12.462 41.678 16.373 1.00 0.00 WAT +ATOM 52808 OH2 TIP3 15500 10.847 38.433 14.106 1.00 0.00 WAT +ATOM 52809 H1 TIP3 15500 11.051 39.064 13.400 1.00 0.00 WAT +ATOM 52810 H2 TIP3 15500 10.614 37.622 13.611 1.00 0.00 WAT +ATOM 52811 OH2 TIP3 15501 10.008 39.628 20.114 1.00 0.00 WAT +ATOM 52812 H1 TIP3 15501 10.079 38.668 19.976 1.00 0.00 WAT +ATOM 52813 H2 TIP3 15501 9.777 39.697 21.049 1.00 0.00 WAT +ATOM 52814 OH2 TIP3 15502 -5.075 41.809 23.845 1.00 0.00 WAT +ATOM 52815 H1 TIP3 15502 -4.854 41.949 22.911 1.00 0.00 WAT +ATOM 52816 H2 TIP3 15502 -4.192 41.723 24.248 1.00 0.00 WAT +ATOM 52817 OH2 TIP3 15503 10.980 41.648 29.264 1.00 0.00 WAT +ATOM 52818 H1 TIP3 15503 11.687 40.993 29.449 1.00 0.00 WAT +ATOM 52819 H2 TIP3 15503 11.460 42.438 28.963 1.00 0.00 WAT +ATOM 52820 OH2 TIP3 15504 12.427 39.649 30.333 1.00 0.00 WAT +ATOM 52821 H1 TIP3 15504 11.613 39.120 30.190 1.00 0.00 WAT +ATOM 52822 H2 TIP3 15504 13.100 38.948 30.410 1.00 0.00 WAT +ATOM 52823 OH2 TIP3 15505 10.304 35.791 13.301 1.00 0.00 WAT +ATOM 52824 H1 TIP3 15505 10.891 35.285 13.891 1.00 0.00 WAT +ATOM 52825 H2 TIP3 15505 9.512 35.237 13.229 1.00 0.00 WAT +ATOM 52826 OH2 TIP3 15506 10.132 37.091 18.285 1.00 0.00 WAT +ATOM 52827 H1 TIP3 15506 10.372 36.140 18.331 1.00 0.00 WAT +ATOM 52828 H2 TIP3 15506 10.930 37.446 17.855 1.00 0.00 WAT +ATOM 52829 OH2 TIP3 15507 10.318 37.854 23.638 1.00 0.00 WAT +ATOM 52830 H1 TIP3 15507 11.297 37.852 23.608 1.00 0.00 WAT +ATOM 52831 H2 TIP3 15507 10.185 37.725 24.590 1.00 0.00 WAT +ATOM 52832 OH2 TIP3 15508 10.413 38.444 26.600 1.00 0.00 WAT +ATOM 52833 H1 TIP3 15508 9.539 38.847 26.737 1.00 0.00 WAT +ATOM 52834 H2 TIP3 15508 10.945 39.201 26.275 1.00 0.00 WAT +ATOM 52835 OH2 TIP3 15509 -5.016 37.157 30.146 1.00 0.00 WAT +ATOM 52836 H1 TIP3 15509 -4.077 36.915 30.221 1.00 0.00 WAT +ATOM 52837 H2 TIP3 15509 -5.445 36.287 30.240 1.00 0.00 WAT +ATOM 52838 OH2 TIP3 15510 13.074 32.527 31.794 1.00 0.00 WAT +ATOM 52839 H1 TIP3 15510 13.485 31.830 31.247 1.00 0.00 WAT +ATOM 52840 H2 TIP3 15510 13.107 33.299 31.197 1.00 0.00 WAT +ATOM 52841 OH2 TIP3 15511 10.574 34.299 18.225 1.00 0.00 WAT +ATOM 52842 H1 TIP3 15511 10.715 33.945 19.122 1.00 0.00 WAT +ATOM 52843 H2 TIP3 15511 9.791 33.785 17.937 1.00 0.00 WAT +ATOM 52844 OH2 TIP3 15512 -4.232 35.471 22.986 1.00 0.00 WAT +ATOM 52845 H1 TIP3 15512 -3.778 34.611 23.041 1.00 0.00 WAT +ATOM 52846 H2 TIP3 15512 -3.537 36.066 23.325 1.00 0.00 WAT +ATOM 52847 OH2 TIP3 15513 -5.675 38.151 24.056 1.00 0.00 WAT +ATOM 52848 H1 TIP3 15513 -5.110 38.092 23.270 1.00 0.00 WAT +ATOM 52849 H2 TIP3 15513 -5.342 38.961 24.463 1.00 0.00 WAT +ATOM 52850 OH2 TIP3 15514 12.462 34.585 30.031 1.00 0.00 WAT +ATOM 52851 H1 TIP3 15514 11.575 34.985 30.090 1.00 0.00 WAT +ATOM 52852 H2 TIP3 15514 12.340 34.023 29.244 1.00 0.00 WAT +ATOM 52853 OH2 TIP3 15515 12.550 34.758 14.884 1.00 0.00 WAT +ATOM 52854 H1 TIP3 15515 12.864 33.952 14.440 1.00 0.00 WAT +ATOM 52855 H2 TIP3 15515 13.370 35.272 14.970 1.00 0.00 WAT +ATOM 52856 OH2 TIP3 15516 -5.193 34.507 18.099 1.00 0.00 WAT +ATOM 52857 H1 TIP3 15516 -6.137 34.522 17.868 1.00 0.00 WAT +ATOM 52858 H2 TIP3 15516 -4.789 35.087 17.423 1.00 0.00 WAT +ATOM 52859 OH2 TIP3 15517 -5.133 33.393 26.236 1.00 0.00 WAT +ATOM 52860 H1 TIP3 15517 -5.843 33.081 26.812 1.00 0.00 WAT +ATOM 52861 H2 TIP3 15517 -5.638 33.880 25.560 1.00 0.00 WAT +ATOM 52862 OH2 TIP3 15518 11.318 32.802 28.014 1.00 0.00 WAT +ATOM 52863 H1 TIP3 15518 10.505 32.977 27.510 1.00 0.00 WAT +ATOM 52864 H2 TIP3 15518 11.542 31.900 27.702 1.00 0.00 WAT +ATOM 52865 OH2 TIP3 15519 4.710 34.309 22.449 1.00 0.00 WAT +ATOM 52866 H1 TIP3 15519 4.053 33.607 22.624 1.00 0.00 WAT +ATOM 52867 H2 TIP3 15519 5.354 33.837 21.897 1.00 0.00 WAT +ATOM 52868 OH2 TIP3 15520 9.688 32.366 22.966 1.00 0.00 WAT +ATOM 52869 H1 TIP3 15520 10.462 32.757 22.525 1.00 0.00 WAT +ATOM 52870 H2 TIP3 15520 8.960 32.597 22.368 1.00 0.00 WAT +ATOM 52871 OH2 TIP3 15521 11.760 33.430 20.801 1.00 0.00 WAT +ATOM 52872 H1 TIP3 15521 12.478 32.990 20.309 1.00 0.00 WAT +ATOM 52873 H2 TIP3 15521 12.111 34.339 20.890 1.00 0.00 WAT +ATOM 52874 OH2 TIP3 15522 -2.905 33.004 20.047 1.00 0.00 WAT +ATOM 52875 H1 TIP3 15522 -3.766 32.881 19.601 1.00 0.00 WAT +ATOM 52876 H2 TIP3 15522 -2.490 32.134 19.889 1.00 0.00 WAT +ATOM 52877 OH2 TIP3 15523 -4.080 32.496 15.920 1.00 0.00 WAT +ATOM 52878 H1 TIP3 15523 -3.577 33.154 15.403 1.00 0.00 WAT +ATOM 52879 H2 TIP3 15523 -4.500 33.046 16.599 1.00 0.00 WAT +ATOM 52880 OH2 TIP3 15524 1.563 32.881 19.921 1.00 0.00 WAT +ATOM 52881 H1 TIP3 15524 2.495 33.108 19.764 1.00 0.00 WAT +ATOM 52882 H2 TIP3 15524 1.560 32.733 20.873 1.00 0.00 WAT +ATOM 52883 OH2 TIP3 15525 7.139 32.888 21.321 1.00 0.00 WAT +ATOM 52884 H1 TIP3 15525 7.433 32.711 20.416 1.00 0.00 WAT +ATOM 52885 H2 TIP3 15525 6.775 32.020 21.579 1.00 0.00 WAT +ATOM 52886 OH2 TIP3 15526 8.261 32.886 17.329 1.00 0.00 WAT +ATOM 52887 H1 TIP3 15526 7.432 33.365 17.149 1.00 0.00 WAT +ATOM 52888 H2 TIP3 15526 7.929 31.978 17.453 1.00 0.00 WAT +ATOM 52889 OH2 TIP3 15527 -2.383 34.325 14.357 1.00 0.00 WAT +ATOM 52890 H1 TIP3 15527 -1.783 33.763 13.837 1.00 0.00 WAT +ATOM 52891 H2 TIP3 15527 -1.778 34.650 15.051 1.00 0.00 WAT +ATOM 52892 OH2 TIP3 15528 2.708 34.515 16.967 1.00 0.00 WAT +ATOM 52893 H1 TIP3 15528 3.062 33.926 17.652 1.00 0.00 WAT +ATOM 52894 H2 TIP3 15528 2.925 35.378 17.352 1.00 0.00 WAT +ATOM 52895 OH2 TIP3 15529 -3.109 33.244 29.568 1.00 0.00 WAT +ATOM 52896 H1 TIP3 15529 -3.503 32.426 29.920 1.00 0.00 WAT +ATOM 52897 H2 TIP3 15529 -2.182 33.123 29.831 1.00 0.00 WAT +ATOM 52898 OH2 TIP3 15530 -0.724 32.634 31.295 1.00 0.00 WAT +ATOM 52899 H1 TIP3 15530 0.100 32.290 30.893 1.00 0.00 WAT +ATOM 52900 H2 TIP3 15530 -1.059 31.833 31.729 1.00 0.00 WAT +ATOM 52901 OH2 TIP3 15531 7.403 31.746 31.468 1.00 0.00 WAT +ATOM 52902 H1 TIP3 15531 7.433 31.324 32.348 1.00 0.00 WAT +ATOM 52903 H2 TIP3 15531 8.341 31.706 31.205 1.00 0.00 WAT +ATOM 52904 OH2 TIP3 15532 24.977 42.050 20.121 1.00 0.00 WAT +ATOM 52905 H1 TIP3 15532 24.667 42.963 20.074 1.00 0.00 WAT +ATOM 52906 H2 TIP3 15532 24.253 41.595 19.664 1.00 0.00 WAT +ATOM 52907 OH2 TIP3 15533 23.770 41.359 23.391 1.00 0.00 WAT +ATOM 52908 H1 TIP3 15533 23.805 40.815 24.193 1.00 0.00 WAT +ATOM 52909 H2 TIP3 15533 23.502 40.722 22.719 1.00 0.00 WAT +ATOM 52910 OH2 TIP3 15534 16.244 40.863 25.033 1.00 0.00 WAT +ATOM 52911 H1 TIP3 15534 16.165 40.082 25.608 1.00 0.00 WAT +ATOM 52912 H2 TIP3 15534 17.000 41.301 25.444 1.00 0.00 WAT +ATOM 52913 OH2 TIP3 15535 13.934 38.805 18.912 1.00 0.00 WAT +ATOM 52914 H1 TIP3 15535 13.553 39.693 19.010 1.00 0.00 WAT +ATOM 52915 H2 TIP3 15535 13.214 38.327 18.484 1.00 0.00 WAT +ATOM 52916 OH2 TIP3 15536 14.723 41.270 20.661 1.00 0.00 WAT +ATOM 52917 H1 TIP3 15536 14.810 40.559 21.322 1.00 0.00 WAT +ATOM 52918 H2 TIP3 15536 15.653 41.356 20.414 1.00 0.00 WAT +ATOM 52919 OH2 TIP3 15537 31.017 35.195 24.599 1.00 0.00 WAT +ATOM 52920 H1 TIP3 15537 31.244 35.850 25.279 1.00 0.00 WAT +ATOM 52921 H2 TIP3 15537 31.567 35.501 23.857 1.00 0.00 WAT +ATOM 52922 OH2 TIP3 15538 25.627 38.037 24.465 1.00 0.00 WAT +ATOM 52923 H1 TIP3 15538 25.740 37.072 24.489 1.00 0.00 WAT +ATOM 52924 H2 TIP3 15538 25.509 38.190 23.514 1.00 0.00 WAT +ATOM 52925 OH2 TIP3 15539 18.586 36.059 21.527 1.00 0.00 WAT +ATOM 52926 H1 TIP3 15539 18.715 36.910 21.065 1.00 0.00 WAT +ATOM 52927 H2 TIP3 15539 18.231 35.527 20.788 1.00 0.00 WAT +ATOM 52928 OH2 TIP3 15540 26.427 36.227 19.840 1.00 0.00 WAT +ATOM 52929 H1 TIP3 15540 27.016 35.796 20.497 1.00 0.00 WAT +ATOM 52930 H2 TIP3 15540 27.078 36.675 19.281 1.00 0.00 WAT +ATOM 52931 OH2 TIP3 15541 15.192 38.723 22.062 1.00 0.00 WAT +ATOM 52932 H1 TIP3 15541 15.889 38.304 22.592 1.00 0.00 WAT +ATOM 52933 H2 TIP3 15541 15.333 38.301 21.195 1.00 0.00 WAT +ATOM 52934 OH2 TIP3 15542 20.662 40.188 21.537 1.00 0.00 WAT +ATOM 52935 H1 TIP3 15542 21.337 39.592 21.920 1.00 0.00 WAT +ATOM 52936 H2 TIP3 15542 20.123 39.556 21.022 1.00 0.00 WAT +ATOM 52937 OH2 TIP3 15543 31.799 36.609 27.042 1.00 0.00 WAT +ATOM 52938 H1 TIP3 15543 31.183 37.312 26.767 1.00 0.00 WAT +ATOM 52939 H2 TIP3 15543 31.568 36.528 27.978 1.00 0.00 WAT +ATOM 52940 OH2 TIP3 15544 17.384 34.855 25.685 1.00 0.00 WAT +ATOM 52941 H1 TIP3 15544 16.973 35.345 24.956 1.00 0.00 WAT +ATOM 52942 H2 TIP3 15544 16.719 34.990 26.390 1.00 0.00 WAT +ATOM 52943 OH2 TIP3 15545 19.928 42.816 25.429 1.00 0.00 WAT +ATOM 52944 H1 TIP3 15545 19.174 43.413 25.532 1.00 0.00 WAT +ATOM 52945 H2 TIP3 15545 20.663 43.440 25.312 1.00 0.00 WAT +ATOM 52946 OH2 TIP3 15546 28.273 35.459 21.869 1.00 0.00 WAT +ATOM 52947 H1 TIP3 15546 27.859 34.862 22.505 1.00 0.00 WAT +ATOM 52948 H2 TIP3 15546 28.754 36.073 22.452 1.00 0.00 WAT +ATOM 52949 OH2 TIP3 15547 16.980 36.888 23.621 1.00 0.00 WAT +ATOM 52950 H1 TIP3 15547 17.625 37.461 24.083 1.00 0.00 WAT +ATOM 52951 H2 TIP3 15547 17.552 36.518 22.912 1.00 0.00 WAT +ATOM 52952 OH2 TIP3 15548 28.400 34.661 25.716 1.00 0.00 WAT +ATOM 52953 H1 TIP3 15548 27.619 35.007 25.244 1.00 0.00 WAT +ATOM 52954 H2 TIP3 15548 29.111 34.794 25.062 1.00 0.00 WAT +ATOM 52955 OH2 TIP3 15549 21.521 32.326 22.782 1.00 0.00 WAT +ATOM 52956 H1 TIP3 15549 21.289 31.380 22.718 1.00 0.00 WAT +ATOM 52957 H2 TIP3 15549 20.692 32.705 23.146 1.00 0.00 WAT +ATOM 52958 OH2 TIP3 15550 23.494 41.401 17.518 1.00 0.00 WAT +ATOM 52959 H1 TIP3 15550 22.864 41.887 16.959 1.00 0.00 WAT +ATOM 52960 H2 TIP3 15550 24.250 41.332 16.911 1.00 0.00 WAT +ATOM 52961 OH2 TIP3 15551 23.899 39.408 14.699 1.00 0.00 WAT +ATOM 52962 H1 TIP3 15551 24.627 39.791 15.221 1.00 0.00 WAT +ATOM 52963 H2 TIP3 15551 24.393 38.923 14.024 1.00 0.00 WAT +ATOM 52964 OH2 TIP3 15552 31.026 40.550 25.743 1.00 0.00 WAT +ATOM 52965 H1 TIP3 15552 30.367 41.265 25.875 1.00 0.00 WAT +ATOM 52966 H2 TIP3 15552 31.536 40.950 25.007 1.00 0.00 WAT +ATOM 52967 OH2 TIP3 15553 27.213 41.412 18.528 1.00 0.00 WAT +ATOM 52968 H1 TIP3 15553 26.548 41.628 19.211 1.00 0.00 WAT +ATOM 52969 H2 TIP3 15553 27.862 40.889 19.035 1.00 0.00 WAT +ATOM 52970 OH2 TIP3 15554 26.946 39.807 27.448 1.00 0.00 WAT +ATOM 52971 H1 TIP3 15554 26.964 40.593 28.016 1.00 0.00 WAT +ATOM 52972 H2 TIP3 15554 26.370 40.141 26.735 1.00 0.00 WAT +ATOM 52973 OH2 TIP3 15555 18.763 42.117 20.431 1.00 0.00 WAT +ATOM 52974 H1 TIP3 15555 18.526 41.811 19.536 1.00 0.00 WAT +ATOM 52975 H2 TIP3 15555 19.500 41.525 20.650 1.00 0.00 WAT +ATOM 52976 OH2 TIP3 15556 19.309 40.687 23.928 1.00 0.00 WAT +ATOM 52977 H1 TIP3 15556 19.858 40.732 23.120 1.00 0.00 WAT +ATOM 52978 H2 TIP3 15556 19.628 41.445 24.461 1.00 0.00 WAT +ATOM 52979 OH2 TIP3 15557 26.024 40.732 16.161 1.00 0.00 WAT +ATOM 52980 H1 TIP3 15557 26.594 41.016 16.911 1.00 0.00 WAT +ATOM 52981 H2 TIP3 15557 26.480 41.188 15.407 1.00 0.00 WAT +ATOM 52982 OH2 TIP3 15558 17.132 41.482 27.719 1.00 0.00 WAT +ATOM 52983 H1 TIP3 15558 17.221 42.107 28.475 1.00 0.00 WAT +ATOM 52984 H2 TIP3 15558 16.167 41.325 27.735 1.00 0.00 WAT +ATOM 52985 OH2 TIP3 15559 29.524 32.458 15.595 1.00 0.00 WAT +ATOM 52986 H1 TIP3 15559 28.639 32.553 15.993 1.00 0.00 WAT +ATOM 52987 H2 TIP3 15559 29.865 33.366 15.646 1.00 0.00 WAT +ATOM 52988 OH2 TIP3 15560 17.631 40.879 17.956 1.00 0.00 WAT +ATOM 52989 H1 TIP3 15560 17.458 41.662 17.394 1.00 0.00 WAT +ATOM 52990 H2 TIP3 15560 16.977 40.247 17.632 1.00 0.00 WAT +ATOM 52991 OH2 TIP3 15561 13.260 42.895 26.592 1.00 0.00 WAT +ATOM 52992 H1 TIP3 15561 13.651 43.255 25.780 1.00 0.00 WAT +ATOM 52993 H2 TIP3 15561 14.050 42.726 27.124 1.00 0.00 WAT +ATOM 52994 OH2 TIP3 15562 28.936 38.357 29.777 1.00 0.00 WAT +ATOM 52995 H1 TIP3 15562 28.406 38.747 29.067 1.00 0.00 WAT +ATOM 52996 H2 TIP3 15562 28.990 37.428 29.481 1.00 0.00 WAT +ATOM 52997 OH2 TIP3 15563 19.095 33.480 23.689 1.00 0.00 WAT +ATOM 52998 H1 TIP3 15563 18.276 33.402 23.168 1.00 0.00 WAT +ATOM 52999 H2 TIP3 15563 18.847 34.207 24.281 1.00 0.00 WAT +ATOM 53000 OH2 TIP3 15564 23.452 33.099 27.366 1.00 0.00 WAT +ATOM 53001 H1 TIP3 15564 23.961 32.496 27.940 1.00 0.00 WAT +ATOM 53002 H2 TIP3 15564 22.541 32.749 27.436 1.00 0.00 WAT +ATOM 53003 OH2 TIP3 15565 26.659 36.860 27.892 1.00 0.00 WAT +ATOM 53004 H1 TIP3 15565 25.992 36.727 28.589 1.00 0.00 WAT +ATOM 53005 H2 TIP3 15565 26.549 37.799 27.657 1.00 0.00 WAT +ATOM 53006 OH2 TIP3 15566 27.420 41.747 14.102 1.00 0.00 WAT +ATOM 53007 H1 TIP3 15566 27.346 41.595 13.143 1.00 0.00 WAT +ATOM 53008 H2 TIP3 15566 28.306 42.152 14.166 1.00 0.00 WAT +ATOM 53009 OH2 TIP3 15567 23.279 35.564 14.595 1.00 0.00 WAT +ATOM 53010 H1 TIP3 15567 22.770 35.444 15.410 1.00 0.00 WAT +ATOM 53011 H2 TIP3 15567 22.859 34.899 14.023 1.00 0.00 WAT +ATOM 53012 OH2 TIP3 15568 18.976 38.236 25.135 1.00 0.00 WAT +ATOM 53013 H1 TIP3 15568 18.320 38.369 25.841 1.00 0.00 WAT +ATOM 53014 H2 TIP3 15568 19.058 39.138 24.749 1.00 0.00 WAT +ATOM 53015 OH2 TIP3 15569 18.901 38.348 19.963 1.00 0.00 WAT +ATOM 53016 H1 TIP3 15569 17.942 38.276 19.805 1.00 0.00 WAT +ATOM 53017 H2 TIP3 15569 19.240 38.151 19.067 1.00 0.00 WAT +ATOM 53018 OH2 TIP3 15570 24.505 38.999 18.777 1.00 0.00 WAT +ATOM 53019 H1 TIP3 15570 24.037 39.752 18.367 1.00 0.00 WAT +ATOM 53020 H2 TIP3 15570 25.165 38.788 18.093 1.00 0.00 WAT +ATOM 53021 OH2 TIP3 15571 23.699 39.212 30.184 1.00 0.00 WAT +ATOM 53022 H1 TIP3 15571 23.189 38.445 30.507 1.00 0.00 WAT +ATOM 53023 H2 TIP3 15571 24.585 39.041 30.559 1.00 0.00 WAT +ATOM 53024 OH2 TIP3 15572 25.356 38.311 21.511 1.00 0.00 WAT +ATOM 53025 H1 TIP3 15572 25.066 38.855 20.753 1.00 0.00 WAT +ATOM 53026 H2 TIP3 15572 25.586 37.488 21.033 1.00 0.00 WAT +ATOM 53027 OH2 TIP3 15573 16.371 38.400 26.876 1.00 0.00 WAT +ATOM 53028 H1 TIP3 15573 16.511 38.792 27.746 1.00 0.00 WAT +ATOM 53029 H2 TIP3 15573 15.985 37.537 27.113 1.00 0.00 WAT +ATOM 53030 OH2 TIP3 15574 19.710 36.029 13.492 1.00 0.00 WAT +ATOM 53031 H1 TIP3 15574 19.345 35.669 14.326 1.00 0.00 WAT +ATOM 53032 H2 TIP3 15574 18.916 36.157 12.959 1.00 0.00 WAT +ATOM 53033 OH2 TIP3 15575 13.124 35.891 20.573 1.00 0.00 WAT +ATOM 53034 H1 TIP3 15575 13.745 35.890 21.324 1.00 0.00 WAT +ATOM 53035 H2 TIP3 15575 13.649 35.521 19.846 1.00 0.00 WAT +ATOM 53036 OH2 TIP3 15576 14.731 36.335 16.280 1.00 0.00 WAT +ATOM 53037 H1 TIP3 15576 15.276 36.814 15.621 1.00 0.00 WAT +ATOM 53038 H2 TIP3 15576 14.036 36.992 16.455 1.00 0.00 WAT +ATOM 53039 OH2 TIP3 15577 24.344 39.970 25.975 1.00 0.00 WAT +ATOM 53040 H1 TIP3 15577 24.863 39.305 25.470 1.00 0.00 WAT +ATOM 53041 H2 TIP3 15577 24.026 39.433 26.716 1.00 0.00 WAT +ATOM 53042 OH2 TIP3 15578 21.674 35.951 21.012 1.00 0.00 WAT +ATOM 53043 H1 TIP3 15578 20.723 35.905 21.211 1.00 0.00 WAT +ATOM 53044 H2 TIP3 15578 22.063 35.735 21.876 1.00 0.00 WAT +ATOM 53045 OH2 TIP3 15579 16.211 37.159 19.693 1.00 0.00 WAT +ATOM 53046 H1 TIP3 15579 15.415 37.442 19.207 1.00 0.00 WAT +ATOM 53047 H2 TIP3 15579 16.513 36.378 19.193 1.00 0.00 WAT +ATOM 53048 OH2 TIP3 15580 19.867 37.510 17.355 1.00 0.00 WAT +ATOM 53049 H1 TIP3 15580 20.835 37.592 17.387 1.00 0.00 WAT +ATOM 53050 H2 TIP3 15580 19.608 38.096 16.622 1.00 0.00 WAT +ATOM 53051 OH2 TIP3 15581 26.059 35.071 24.028 1.00 0.00 WAT +ATOM 53052 H1 TIP3 15581 25.400 35.084 24.755 1.00 0.00 WAT +ATOM 53053 H2 TIP3 15581 25.500 34.723 23.310 1.00 0.00 WAT +ATOM 53054 OH2 TIP3 15582 18.299 38.757 15.130 1.00 0.00 WAT +ATOM 53055 H1 TIP3 15582 17.742 38.438 14.405 1.00 0.00 WAT +ATOM 53056 H2 TIP3 15582 19.121 38.969 14.653 1.00 0.00 WAT +ATOM 53057 OH2 TIP3 15583 17.260 43.167 29.789 1.00 0.00 WAT +ATOM 53058 H1 TIP3 15583 17.798 43.665 30.434 1.00 0.00 WAT +ATOM 53059 H2 TIP3 15583 16.438 43.036 30.312 1.00 0.00 WAT +ATOM 53060 OH2 TIP3 15584 22.683 38.505 22.841 1.00 0.00 WAT +ATOM 53061 H1 TIP3 15584 23.401 38.061 22.366 1.00 0.00 WAT +ATOM 53062 H2 TIP3 15584 22.523 37.890 23.584 1.00 0.00 WAT +ATOM 53063 OH2 TIP3 15585 17.976 34.898 18.999 1.00 0.00 WAT +ATOM 53064 H1 TIP3 15585 17.421 34.113 19.139 1.00 0.00 WAT +ATOM 53065 H2 TIP3 15585 18.777 34.517 18.613 1.00 0.00 WAT +ATOM 53066 OH2 TIP3 15586 21.659 36.954 25.050 1.00 0.00 WAT +ATOM 53067 H1 TIP3 15586 20.862 37.511 25.068 1.00 0.00 WAT +ATOM 53068 H2 TIP3 15586 22.131 37.216 25.863 1.00 0.00 WAT +ATOM 53069 OH2 TIP3 15587 21.512 43.600 17.043 1.00 0.00 WAT +ATOM 53070 H1 TIP3 15587 20.951 42.966 16.554 1.00 0.00 WAT +ATOM 53071 H2 TIP3 15587 21.639 43.192 17.903 1.00 0.00 WAT +ATOM 53072 OH2 TIP3 15588 29.257 42.668 25.643 1.00 0.00 WAT +ATOM 53073 H1 TIP3 15588 29.509 43.119 24.816 1.00 0.00 WAT +ATOM 53074 H2 TIP3 15588 28.309 42.545 25.445 1.00 0.00 WAT +ATOM 53075 OH2 TIP3 15589 25.953 36.163 14.733 1.00 0.00 WAT +ATOM 53076 H1 TIP3 15589 24.970 36.133 14.690 1.00 0.00 WAT +ATOM 53077 H2 TIP3 15589 26.127 36.893 15.358 1.00 0.00 WAT +ATOM 53078 OH2 TIP3 15590 26.628 37.978 16.818 1.00 0.00 WAT +ATOM 53079 H1 TIP3 15590 27.518 37.818 17.188 1.00 0.00 WAT +ATOM 53080 H2 TIP3 15590 26.730 38.847 16.391 1.00 0.00 WAT +ATOM 53081 OH2 TIP3 15591 16.811 42.163 22.411 1.00 0.00 WAT +ATOM 53082 H1 TIP3 15591 17.646 42.362 21.945 1.00 0.00 WAT +ATOM 53083 H2 TIP3 15591 17.110 41.748 23.234 1.00 0.00 WAT +ATOM 53084 OH2 TIP3 15592 14.382 40.752 28.085 1.00 0.00 WAT +ATOM 53085 H1 TIP3 15592 14.334 40.363 28.980 1.00 0.00 WAT +ATOM 53086 H2 TIP3 15592 13.590 40.404 27.648 1.00 0.00 WAT +ATOM 53087 OH2 TIP3 15593 21.154 40.522 30.054 1.00 0.00 WAT +ATOM 53088 H1 TIP3 15593 20.776 40.270 29.194 1.00 0.00 WAT +ATOM 53089 H2 TIP3 15593 22.089 40.277 29.934 1.00 0.00 WAT +ATOM 53090 OH2 TIP3 15594 31.212 37.975 16.531 1.00 0.00 WAT +ATOM 53091 H1 TIP3 15594 30.665 37.784 15.742 1.00 0.00 WAT +ATOM 53092 H2 TIP3 15594 31.341 38.932 16.385 1.00 0.00 WAT +ATOM 53093 OH2 TIP3 15595 26.683 41.798 24.325 1.00 0.00 WAT +ATOM 53094 H1 TIP3 15595 25.775 41.832 23.985 1.00 0.00 WAT +ATOM 53095 H2 TIP3 15595 27.158 41.345 23.611 1.00 0.00 WAT +ATOM 53096 OH2 TIP3 15596 15.227 40.947 14.571 1.00 0.00 WAT +ATOM 53097 H1 TIP3 15596 15.830 41.541 15.045 1.00 0.00 WAT +ATOM 53098 H2 TIP3 15596 14.381 41.131 15.028 1.00 0.00 WAT +ATOM 53099 OH2 TIP3 15597 15.484 35.663 27.689 1.00 0.00 WAT +ATOM 53100 H1 TIP3 15597 14.580 35.898 27.403 1.00 0.00 WAT +ATOM 53101 H2 TIP3 15597 15.343 34.778 28.070 1.00 0.00 WAT +ATOM 53102 OH2 TIP3 15598 16.989 -43.876 16.404 1.00 0.00 WAT +ATOM 53103 H1 TIP3 15598 16.095 -43.522 16.580 1.00 0.00 WAT +ATOM 53104 H2 TIP3 15598 17.461 -43.055 16.198 1.00 0.00 WAT +ATOM 53105 OH2 TIP3 15599 24.462 35.502 26.225 1.00 0.00 WAT +ATOM 53106 H1 TIP3 15599 25.086 35.724 26.928 1.00 0.00 WAT +ATOM 53107 H2 TIP3 15599 23.954 34.761 26.611 1.00 0.00 WAT +ATOM 53108 OH2 TIP3 15600 25.107 34.919 17.477 1.00 0.00 WAT +ATOM 53109 H1 TIP3 15600 25.269 35.446 16.679 1.00 0.00 WAT +ATOM 53110 H2 TIP3 15600 25.563 35.437 18.161 1.00 0.00 WAT +ATOM 53111 OH2 TIP3 15601 22.540 36.914 18.426 1.00 0.00 WAT +ATOM 53112 H1 TIP3 15601 23.291 37.519 18.577 1.00 0.00 WAT +ATOM 53113 H2 TIP3 15601 22.224 36.757 19.336 1.00 0.00 WAT +ATOM 53114 OH2 TIP3 15602 22.919 37.928 27.589 1.00 0.00 WAT +ATOM 53115 H1 TIP3 15602 22.970 38.405 28.433 1.00 0.00 WAT +ATOM 53116 H2 TIP3 15602 23.397 37.113 27.788 1.00 0.00 WAT +ATOM 53117 OH2 TIP3 15603 23.117 33.938 19.376 1.00 0.00 WAT +ATOM 53118 H1 TIP3 15603 22.903 34.647 20.011 1.00 0.00 WAT +ATOM 53119 H2 TIP3 15603 23.831 34.354 18.853 1.00 0.00 WAT +ATOM 53120 OH2 TIP3 15604 18.833 34.945 15.882 1.00 0.00 WAT +ATOM 53121 H1 TIP3 15604 18.855 35.700 16.494 1.00 0.00 WAT +ATOM 53122 H2 TIP3 15604 19.641 34.463 16.149 1.00 0.00 WAT +ATOM 53123 OH2 TIP3 15605 29.172 35.820 28.429 1.00 0.00 WAT +ATOM 53124 H1 TIP3 15605 28.214 35.974 28.295 1.00 0.00 WAT +ATOM 53125 H2 TIP3 15605 29.405 35.618 27.510 1.00 0.00 WAT +ATOM 53126 OH2 TIP3 15606 27.701 39.663 22.424 1.00 0.00 WAT +ATOM 53127 H1 TIP3 15606 26.850 39.235 22.218 1.00 0.00 WAT +ATOM 53128 H2 TIP3 15606 28.156 38.971 22.947 1.00 0.00 WAT +ATOM 53129 OH2 TIP3 15607 15.361 37.999 14.104 1.00 0.00 WAT +ATOM 53130 H1 TIP3 15607 15.510 38.944 14.268 1.00 0.00 WAT +ATOM 53131 H2 TIP3 15607 14.521 38.003 13.630 1.00 0.00 WAT +ATOM 53132 OH2 TIP3 15608 16.301 33.045 22.863 1.00 0.00 WAT +ATOM 53133 H1 TIP3 15608 16.126 33.015 21.900 1.00 0.00 WAT +ATOM 53134 H2 TIP3 15608 15.974 32.175 23.164 1.00 0.00 WAT +ATOM 53135 OH2 TIP3 15609 14.811 43.068 30.885 1.00 0.00 WAT +ATOM 53136 H1 TIP3 15609 14.598 42.119 30.967 1.00 0.00 WAT +ATOM 53137 H2 TIP3 15609 13.969 43.499 30.717 1.00 0.00 WAT +ATOM 53138 OH2 TIP3 15610 20.725 43.303 30.482 1.00 0.00 WAT +ATOM 53139 H1 TIP3 15610 20.746 43.487 29.521 1.00 0.00 WAT +ATOM 53140 H2 TIP3 15610 21.042 42.377 30.501 1.00 0.00 WAT +ATOM 53141 OH2 TIP3 15611 26.712 -43.738 28.215 1.00 0.00 WAT +ATOM 53142 H1 TIP3 15611 27.498 -43.319 27.836 1.00 0.00 WAT +ATOM 53143 H2 TIP3 15611 26.013 -43.136 27.929 1.00 0.00 WAT +ATOM 53144 OH2 TIP3 15612 15.383 40.239 30.696 1.00 0.00 WAT +ATOM 53145 H1 TIP3 15612 16.158 39.657 30.612 1.00 0.00 WAT +ATOM 53146 H2 TIP3 15612 15.397 40.436 31.651 1.00 0.00 WAT +ATOM 53147 OH2 TIP3 15613 19.952 41.606 15.754 1.00 0.00 WAT +ATOM 53148 H1 TIP3 15613 19.276 41.180 16.295 1.00 0.00 WAT +ATOM 53149 H2 TIP3 15613 20.105 40.941 15.055 1.00 0.00 WAT +ATOM 53150 OH2 TIP3 15614 19.125 39.349 28.082 1.00 0.00 WAT +ATOM 53151 H1 TIP3 15614 18.522 40.106 28.204 1.00 0.00 WAT +ATOM 53152 H2 TIP3 15614 19.707 39.676 27.375 1.00 0.00 WAT +ATOM 53153 OH2 TIP3 15615 20.777 39.567 13.983 1.00 0.00 WAT +ATOM 53154 H1 TIP3 15615 20.753 39.712 13.018 1.00 0.00 WAT +ATOM 53155 H2 TIP3 15615 21.737 39.569 14.153 1.00 0.00 WAT +ATOM 53156 OH2 TIP3 15616 24.415 42.177 31.597 1.00 0.00 WAT +ATOM 53157 H1 TIP3 15616 25.268 41.931 31.221 1.00 0.00 WAT +ATOM 53158 H2 TIP3 15616 24.028 41.326 31.821 1.00 0.00 WAT +ATOM 53159 OH2 TIP3 15617 30.109 41.894 13.201 1.00 0.00 WAT +ATOM 53160 H1 TIP3 15617 29.971 41.842 12.241 1.00 0.00 WAT +ATOM 53161 H2 TIP3 15617 30.104 42.854 13.386 1.00 0.00 WAT +ATOM 53162 OH2 TIP3 15618 19.695 36.643 29.150 1.00 0.00 WAT +ATOM 53163 H1 TIP3 15618 19.723 35.976 28.439 1.00 0.00 WAT +ATOM 53164 H2 TIP3 15618 19.458 37.446 28.652 1.00 0.00 WAT +ATOM 53165 OH2 TIP3 15619 19.995 35.114 26.605 1.00 0.00 WAT +ATOM 53166 H1 TIP3 15619 20.504 35.625 25.948 1.00 0.00 WAT +ATOM 53167 H2 TIP3 15619 19.084 35.131 26.243 1.00 0.00 WAT +ATOM 53168 OH2 TIP3 15620 21.507 40.687 26.899 1.00 0.00 WAT +ATOM 53169 H1 TIP3 15620 22.342 40.557 26.419 1.00 0.00 WAT +ATOM 53170 H2 TIP3 15620 21.176 41.515 26.526 1.00 0.00 WAT +ATOM 53171 OH2 TIP3 15621 26.140 38.508 31.735 1.00 0.00 WAT +ATOM 53172 H1 TIP3 15621 26.322 37.586 31.978 1.00 0.00 WAT +ATOM 53173 H2 TIP3 15621 27.033 38.884 31.727 1.00 0.00 WAT +ATOM 53174 OH2 TIP3 15622 27.097 41.376 30.149 1.00 0.00 WAT +ATOM 53175 H1 TIP3 15622 26.854 42.086 29.511 1.00 0.00 WAT +ATOM 53176 H2 TIP3 15622 27.996 41.171 29.837 1.00 0.00 WAT +ATOM 53177 OH2 TIP3 15623 17.833 38.503 30.952 1.00 0.00 WAT +ATOM 53178 H1 TIP3 15623 17.317 37.676 30.939 1.00 0.00 WAT +ATOM 53179 H2 TIP3 15623 18.642 38.234 30.492 1.00 0.00 WAT +ATOM 53180 OH2 TIP3 15624 20.735 32.444 26.950 1.00 0.00 WAT +ATOM 53181 H1 TIP3 15624 20.518 33.385 26.782 1.00 0.00 WAT +ATOM 53182 H2 TIP3 15624 20.050 31.989 26.420 1.00 0.00 WAT +ATOM 53183 OH2 TIP3 15625 22.002 36.998 30.732 1.00 0.00 WAT +ATOM 53184 H1 TIP3 15625 21.614 36.809 31.605 1.00 0.00 WAT +ATOM 53185 H2 TIP3 15625 21.211 36.817 30.176 1.00 0.00 WAT +ATOM 53186 OH2 TIP3 15626 24.514 36.084 29.620 1.00 0.00 WAT +ATOM 53187 H1 TIP3 15626 23.603 36.173 29.963 1.00 0.00 WAT +ATOM 53188 H2 TIP3 15626 24.882 35.429 30.224 1.00 0.00 WAT +ATOM 53189 OH2 TIP3 15627 26.535 34.263 31.532 1.00 0.00 WAT +ATOM 53190 H1 TIP3 15627 25.774 33.691 31.645 1.00 0.00 WAT +ATOM 53191 H2 TIP3 15627 26.313 34.995 32.148 1.00 0.00 WAT +ATOM 53192 OH2 TIP3 15628 16.554 35.941 30.786 1.00 0.00 WAT +ATOM 53193 H1 TIP3 15628 16.452 35.243 30.119 1.00 0.00 WAT +ATOM 53194 H2 TIP3 15628 16.315 35.462 31.603 1.00 0.00 WAT +ATOM 53195 OH2 TIP3 15629 20.583 31.931 29.773 1.00 0.00 WAT +ATOM 53196 H1 TIP3 15629 21.157 31.145 29.807 1.00 0.00 WAT +ATOM 53197 H2 TIP3 15629 20.521 32.062 28.806 1.00 0.00 WAT +ATOM 53198 OH2 TIP3 15630 21.543 33.809 31.600 1.00 0.00 WAT +ATOM 53199 H1 TIP3 15630 21.227 33.191 30.906 1.00 0.00 WAT +ATOM 53200 H2 TIP3 15630 20.818 34.452 31.642 1.00 0.00 WAT +ATOM 53201 OH2 TIP3 15631 30.901 43.637 17.624 1.00 0.00 WAT +ATOM 53202 H1 TIP3 15631 31.848 43.605 17.443 1.00 0.00 WAT +ATOM 53203 H2 TIP3 15631 30.719 42.792 18.063 1.00 0.00 WAT +ATOM 53204 OH2 TIP3 15632 31.260 41.324 19.237 1.00 0.00 WAT +ATOM 53205 H1 TIP3 15632 30.489 40.884 19.645 1.00 0.00 WAT +ATOM 53206 H2 TIP3 15632 31.852 41.480 19.997 1.00 0.00 WAT +ATOM 53207 OH2 TIP3 15633 31.444 40.936 15.764 1.00 0.00 WAT +ATOM 53208 H1 TIP3 15633 30.814 41.153 15.051 1.00 0.00 WAT +ATOM 53209 H2 TIP3 15633 31.297 41.671 16.371 1.00 0.00 WAT +ATOM 53210 OH2 TIP3 15634 29.734 38.423 14.104 1.00 0.00 WAT +ATOM 53211 H1 TIP3 15634 29.908 39.063 13.398 1.00 0.00 WAT +ATOM 53212 H2 TIP3 15634 29.474 37.621 13.609 1.00 0.00 WAT +ATOM 53213 OH2 TIP3 15635 29.008 39.652 19.995 1.00 0.00 WAT +ATOM 53214 H1 TIP3 15635 28.971 38.693 19.846 1.00 0.00 WAT +ATOM 53215 H2 TIP3 15635 28.636 39.729 20.900 1.00 0.00 WAT +ATOM 53216 OH2 TIP3 15636 13.886 41.928 23.845 1.00 0.00 WAT +ATOM 53217 H1 TIP3 15636 14.077 41.969 22.898 1.00 0.00 WAT +ATOM 53218 H2 TIP3 15636 14.750 41.655 24.209 1.00 0.00 WAT +ATOM 53219 OH2 TIP3 15637 29.861 41.608 29.220 1.00 0.00 WAT +ATOM 53220 H1 TIP3 15637 30.586 41.007 29.486 1.00 0.00 WAT +ATOM 53221 H2 TIP3 15637 30.301 42.440 28.973 1.00 0.00 WAT +ATOM 53222 OH2 TIP3 15638 31.290 39.628 30.367 1.00 0.00 WAT +ATOM 53223 H1 TIP3 15638 30.477 39.111 30.178 1.00 0.00 WAT +ATOM 53224 H2 TIP3 15638 31.972 38.934 30.364 1.00 0.00 WAT +ATOM 53225 OH2 TIP3 15639 29.163 35.783 13.295 1.00 0.00 WAT +ATOM 53226 H1 TIP3 15639 29.727 35.276 13.904 1.00 0.00 WAT +ATOM 53227 H2 TIP3 15639 28.357 35.251 13.225 1.00 0.00 WAT +ATOM 53228 OH2 TIP3 15640 28.993 37.063 18.265 1.00 0.00 WAT +ATOM 53229 H1 TIP3 15640 29.227 36.111 18.304 1.00 0.00 WAT +ATOM 53230 H2 TIP3 15640 29.792 37.420 17.839 1.00 0.00 WAT +ATOM 53231 OH2 TIP3 15641 29.207 37.645 23.682 1.00 0.00 WAT +ATOM 53232 H1 TIP3 15641 30.172 37.788 23.661 1.00 0.00 WAT +ATOM 53233 H2 TIP3 15641 29.043 37.696 24.639 1.00 0.00 WAT +ATOM 53234 OH2 TIP3 15642 29.395 38.366 26.519 1.00 0.00 WAT +ATOM 53235 H1 TIP3 15642 28.521 38.729 26.755 1.00 0.00 WAT +ATOM 53236 H2 TIP3 15642 29.884 39.175 26.271 1.00 0.00 WAT +ATOM 53237 OH2 TIP3 15643 13.845 37.167 30.204 1.00 0.00 WAT +ATOM 53238 H1 TIP3 15643 14.780 36.900 30.192 1.00 0.00 WAT +ATOM 53239 H2 TIP3 15643 13.400 36.301 30.244 1.00 0.00 WAT +ATOM 53240 OH2 TIP3 15644 31.638 32.355 31.657 1.00 0.00 WAT +ATOM 53241 H1 TIP3 15644 32.201 31.759 31.124 1.00 0.00 WAT +ATOM 53242 H2 TIP3 15644 31.720 33.192 31.155 1.00 0.00 WAT +ATOM 53243 OH2 TIP3 15645 29.448 34.268 18.223 1.00 0.00 WAT +ATOM 53244 H1 TIP3 15645 29.535 33.936 19.134 1.00 0.00 WAT +ATOM 53245 H2 TIP3 15645 28.654 33.778 17.920 1.00 0.00 WAT +ATOM 53246 OH2 TIP3 15646 14.611 35.458 23.002 1.00 0.00 WAT +ATOM 53247 H1 TIP3 15646 15.087 34.610 23.054 1.00 0.00 WAT +ATOM 53248 H2 TIP3 15646 15.299 36.073 23.319 1.00 0.00 WAT +ATOM 53249 OH2 TIP3 15647 13.174 38.131 24.015 1.00 0.00 WAT +ATOM 53250 H1 TIP3 15647 13.785 38.119 23.257 1.00 0.00 WAT +ATOM 53251 H2 TIP3 15647 13.476 38.921 24.482 1.00 0.00 WAT +ATOM 53252 OH2 TIP3 15648 31.366 34.625 30.039 1.00 0.00 WAT +ATOM 53253 H1 TIP3 15648 30.477 35.015 30.125 1.00 0.00 WAT +ATOM 53254 H2 TIP3 15648 31.193 34.000 29.310 1.00 0.00 WAT +ATOM 53255 OH2 TIP3 15649 31.416 34.739 14.912 1.00 0.00 WAT +ATOM 53256 H1 TIP3 15649 31.715 33.951 14.426 1.00 0.00 WAT +ATOM 53257 H2 TIP3 15649 32.222 35.278 14.942 1.00 0.00 WAT +ATOM 53258 OH2 TIP3 15650 13.668 34.480 18.066 1.00 0.00 WAT +ATOM 53259 H1 TIP3 15650 12.719 34.536 17.862 1.00 0.00 WAT +ATOM 53260 H2 TIP3 15650 14.073 35.088 17.416 1.00 0.00 WAT +ATOM 53261 OH2 TIP3 15651 13.713 33.416 26.246 1.00 0.00 WAT +ATOM 53262 H1 TIP3 15651 13.005 33.086 26.815 1.00 0.00 WAT +ATOM 53263 H2 TIP3 15651 13.205 33.872 25.554 1.00 0.00 WAT +ATOM 53264 OH2 TIP3 15652 30.114 32.680 28.289 1.00 0.00 WAT +ATOM 53265 H1 TIP3 15652 29.302 32.943 27.826 1.00 0.00 WAT +ATOM 53266 H2 TIP3 15652 30.317 31.823 27.864 1.00 0.00 WAT +ATOM 53267 OH2 TIP3 15653 23.606 34.292 22.504 1.00 0.00 WAT +ATOM 53268 H1 TIP3 15653 22.910 33.620 22.640 1.00 0.00 WAT +ATOM 53269 H2 TIP3 15653 24.185 33.844 21.868 1.00 0.00 WAT +ATOM 53270 OH2 TIP3 15654 28.554 32.353 22.962 1.00 0.00 WAT +ATOM 53271 H1 TIP3 15654 29.304 32.771 22.506 1.00 0.00 WAT +ATOM 53272 H2 TIP3 15654 27.802 32.590 22.391 1.00 0.00 WAT +ATOM 53273 OH2 TIP3 15655 30.641 33.414 20.832 1.00 0.00 WAT +ATOM 53274 H1 TIP3 15655 31.339 33.002 20.292 1.00 0.00 WAT +ATOM 53275 H2 TIP3 15655 30.953 34.338 20.898 1.00 0.00 WAT +ATOM 53276 OH2 TIP3 15656 15.950 33.003 20.046 1.00 0.00 WAT +ATOM 53277 H1 TIP3 15656 15.091 32.877 19.597 1.00 0.00 WAT +ATOM 53278 H2 TIP3 15656 16.368 32.134 19.894 1.00 0.00 WAT +ATOM 53279 OH2 TIP3 15657 14.765 32.501 15.917 1.00 0.00 WAT +ATOM 53280 H1 TIP3 15657 15.275 33.156 15.404 1.00 0.00 WAT +ATOM 53281 H2 TIP3 15657 14.361 33.050 16.608 1.00 0.00 WAT +ATOM 53282 OH2 TIP3 15658 20.420 32.855 19.911 1.00 0.00 WAT +ATOM 53283 H1 TIP3 15658 21.345 33.121 19.778 1.00 0.00 WAT +ATOM 53284 H2 TIP3 15658 20.392 32.744 20.868 1.00 0.00 WAT +ATOM 53285 OH2 TIP3 15659 26.038 32.871 21.341 1.00 0.00 WAT +ATOM 53286 H1 TIP3 15659 26.271 32.712 20.416 1.00 0.00 WAT +ATOM 53287 H2 TIP3 15659 25.618 32.024 21.585 1.00 0.00 WAT +ATOM 53288 OH2 TIP3 15660 27.129 32.882 17.311 1.00 0.00 WAT +ATOM 53289 H1 TIP3 15660 26.305 33.388 17.175 1.00 0.00 WAT +ATOM 53290 H2 TIP3 15660 26.775 31.985 17.449 1.00 0.00 WAT +ATOM 53291 OH2 TIP3 15661 16.474 34.321 14.354 1.00 0.00 WAT +ATOM 53292 H1 TIP3 15661 17.081 33.763 13.839 1.00 0.00 WAT +ATOM 53293 H2 TIP3 15661 17.073 34.653 15.051 1.00 0.00 WAT +ATOM 53294 OH2 TIP3 15662 21.574 34.507 16.963 1.00 0.00 WAT +ATOM 53295 H1 TIP3 15662 21.911 33.929 17.664 1.00 0.00 WAT +ATOM 53296 H2 TIP3 15662 21.769 35.377 17.345 1.00 0.00 WAT +ATOM 53297 OH2 TIP3 15663 15.739 33.251 29.581 1.00 0.00 WAT +ATOM 53298 H1 TIP3 15663 15.345 32.425 29.917 1.00 0.00 WAT +ATOM 53299 H2 TIP3 15663 16.670 33.116 29.814 1.00 0.00 WAT +ATOM 53300 OH2 TIP3 15664 18.157 32.642 31.324 1.00 0.00 WAT +ATOM 53301 H1 TIP3 15664 18.958 32.280 30.896 1.00 0.00 WAT +ATOM 53302 H2 TIP3 15664 17.779 31.839 31.719 1.00 0.00 WAT +ATOM 53303 OH2 TIP3 15665 27.077 31.466 31.453 1.00 0.00 WAT +ATOM 53304 H1 TIP3 15665 26.441 31.418 32.193 1.00 0.00 WAT +ATOM 53305 H2 TIP3 15665 27.026 32.386 31.149 1.00 0.00 WAT +ATOM 53306 OH2 TIP3 15666 41.951 40.932 23.494 1.00 0.00 WAT +ATOM 53307 H1 TIP3 15666 42.665 41.196 24.099 1.00 0.00 WAT +ATOM 53308 H2 TIP3 15666 42.383 40.941 22.638 1.00 0.00 WAT +ATOM 53309 OH2 TIP3 15667 35.088 40.827 25.024 1.00 0.00 WAT +ATOM 53310 H1 TIP3 15667 35.067 40.092 25.658 1.00 0.00 WAT +ATOM 53311 H2 TIP3 15667 35.838 41.336 25.363 1.00 0.00 WAT +ATOM 53312 OH2 TIP3 15668 32.792 38.841 18.933 1.00 0.00 WAT +ATOM 53313 H1 TIP3 15668 32.365 39.712 19.010 1.00 0.00 WAT +ATOM 53314 H2 TIP3 15668 32.091 38.323 18.517 1.00 0.00 WAT +ATOM 53315 OH2 TIP3 15669 33.680 41.261 20.813 1.00 0.00 WAT +ATOM 53316 H1 TIP3 15669 33.752 40.490 21.405 1.00 0.00 WAT +ATOM 53317 H2 TIP3 15669 34.523 41.192 20.350 1.00 0.00 WAT +ATOM 53318 OH2 TIP3 15670 37.389 36.055 21.602 1.00 0.00 WAT +ATOM 53319 H1 TIP3 15670 37.559 36.899 21.136 1.00 0.00 WAT +ATOM 53320 H2 TIP3 15670 37.085 35.516 20.843 1.00 0.00 WAT +ATOM 53321 OH2 TIP3 15671 34.219 38.686 22.099 1.00 0.00 WAT +ATOM 53322 H1 TIP3 15671 34.801 38.145 22.643 1.00 0.00 WAT +ATOM 53323 H2 TIP3 15671 34.314 38.258 21.228 1.00 0.00 WAT +ATOM 53324 OH2 TIP3 15672 39.539 40.135 21.522 1.00 0.00 WAT +ATOM 53325 H1 TIP3 15672 40.230 39.575 21.925 1.00 0.00 WAT +ATOM 53326 H2 TIP3 15672 39.009 39.474 21.044 1.00 0.00 WAT +ATOM 53327 OH2 TIP3 15673 38.934 42.663 25.481 1.00 0.00 WAT +ATOM 53328 H1 TIP3 15673 38.155 43.229 25.569 1.00 0.00 WAT +ATOM 53329 H2 TIP3 15673 39.636 43.327 25.470 1.00 0.00 WAT +ATOM 53330 OH2 TIP3 15674 35.878 36.596 23.851 1.00 0.00 WAT +ATOM 53331 H1 TIP3 15674 36.332 37.432 24.097 1.00 0.00 WAT +ATOM 53332 H2 TIP3 15674 36.343 36.363 23.012 1.00 0.00 WAT +ATOM 53333 OH2 TIP3 15675 40.049 32.468 22.890 1.00 0.00 WAT +ATOM 53334 H1 TIP3 15675 40.052 31.494 22.873 1.00 0.00 WAT +ATOM 53335 H2 TIP3 15675 39.268 32.630 23.430 1.00 0.00 WAT +ATOM 53336 OH2 TIP3 15676 42.681 41.230 17.453 1.00 0.00 WAT +ATOM 53337 H1 TIP3 15676 41.977 41.888 17.270 1.00 0.00 WAT +ATOM 53338 H2 TIP3 15676 43.268 41.421 16.721 1.00 0.00 WAT +ATOM 53339 OH2 TIP3 15677 42.856 39.545 14.768 1.00 0.00 WAT +ATOM 53340 H1 TIP3 15677 43.739 39.605 15.157 1.00 0.00 WAT +ATOM 53341 H2 TIP3 15677 42.968 38.947 14.021 1.00 0.00 WAT +ATOM 53342 OH2 TIP3 15678 37.594 42.043 20.474 1.00 0.00 WAT +ATOM 53343 H1 TIP3 15678 37.414 41.780 19.555 1.00 0.00 WAT +ATOM 53344 H2 TIP3 15678 38.402 41.539 20.674 1.00 0.00 WAT +ATOM 53345 OH2 TIP3 15679 38.089 40.732 23.822 1.00 0.00 WAT +ATOM 53346 H1 TIP3 15679 38.736 40.736 23.086 1.00 0.00 WAT +ATOM 53347 H2 TIP3 15679 38.462 41.424 24.411 1.00 0.00 WAT +ATOM 53348 OH2 TIP3 15680 35.960 41.474 27.726 1.00 0.00 WAT +ATOM 53349 H1 TIP3 15680 36.097 42.113 28.463 1.00 0.00 WAT +ATOM 53350 H2 TIP3 15680 34.989 41.423 27.717 1.00 0.00 WAT +ATOM 53351 OH2 TIP3 15681 36.465 40.879 17.963 1.00 0.00 WAT +ATOM 53352 H1 TIP3 15681 36.306 41.668 17.404 1.00 0.00 WAT +ATOM 53353 H2 TIP3 15681 35.828 40.246 17.612 1.00 0.00 WAT +ATOM 53354 OH2 TIP3 15682 32.443 43.110 26.750 1.00 0.00 WAT +ATOM 53355 H1 TIP3 15682 32.440 42.936 25.795 1.00 0.00 WAT +ATOM 53356 H2 TIP3 15682 32.761 42.259 27.109 1.00 0.00 WAT +ATOM 53357 OH2 TIP3 15683 42.308 32.839 27.926 1.00 0.00 WAT +ATOM 53358 H1 TIP3 15683 42.489 32.140 28.574 1.00 0.00 WAT +ATOM 53359 H2 TIP3 15683 41.394 32.627 27.671 1.00 0.00 WAT +ATOM 53360 OH2 TIP3 15684 42.344 35.609 14.667 1.00 0.00 WAT +ATOM 53361 H1 TIP3 15684 41.696 35.480 15.373 1.00 0.00 WAT +ATOM 53362 H2 TIP3 15684 42.021 34.979 14.007 1.00 0.00 WAT +ATOM 53363 OH2 TIP3 15685 37.636 38.238 25.113 1.00 0.00 WAT +ATOM 53364 H1 TIP3 15685 37.197 38.575 25.915 1.00 0.00 WAT +ATOM 53365 H2 TIP3 15685 37.910 39.086 24.691 1.00 0.00 WAT +ATOM 53366 OH2 TIP3 15686 37.748 38.308 19.985 1.00 0.00 WAT +ATOM 53367 H1 TIP3 15686 36.790 38.259 19.811 1.00 0.00 WAT +ATOM 53368 H2 TIP3 15686 38.096 38.173 19.084 1.00 0.00 WAT +ATOM 53369 OH2 TIP3 15687 42.702 38.915 19.490 1.00 0.00 WAT +ATOM 53370 H1 TIP3 15687 42.623 39.825 19.150 1.00 0.00 WAT +ATOM 53371 H2 TIP3 15687 43.644 38.830 19.692 1.00 0.00 WAT +ATOM 53372 OH2 TIP3 15688 35.207 38.376 26.860 1.00 0.00 WAT +ATOM 53373 H1 TIP3 15688 35.378 38.802 27.709 1.00 0.00 WAT +ATOM 53374 H2 TIP3 15688 34.782 37.546 27.131 1.00 0.00 WAT +ATOM 53375 OH2 TIP3 15689 38.629 36.047 13.509 1.00 0.00 WAT +ATOM 53376 H1 TIP3 15689 38.201 35.666 14.299 1.00 0.00 WAT +ATOM 53377 H2 TIP3 15689 37.876 36.213 12.927 1.00 0.00 WAT +ATOM 53378 OH2 TIP3 15690 32.013 35.929 20.591 1.00 0.00 WAT +ATOM 53379 H1 TIP3 15690 32.636 35.793 21.328 1.00 0.00 WAT +ATOM 53380 H2 TIP3 15690 32.468 35.535 19.830 1.00 0.00 WAT +ATOM 53381 OH2 TIP3 15691 33.609 36.347 16.295 1.00 0.00 WAT +ATOM 53382 H1 TIP3 15691 34.126 36.825 15.612 1.00 0.00 WAT +ATOM 53383 H2 TIP3 15691 32.889 36.982 16.452 1.00 0.00 WAT +ATOM 53384 OH2 TIP3 15692 43.132 39.835 26.048 1.00 0.00 WAT +ATOM 53385 H1 TIP3 15692 43.742 39.155 25.721 1.00 0.00 WAT +ATOM 53386 H2 TIP3 15692 42.696 39.333 26.758 1.00 0.00 WAT +ATOM 53387 OH2 TIP3 15693 40.488 35.739 21.022 1.00 0.00 WAT +ATOM 53388 H1 TIP3 15693 39.550 35.862 21.229 1.00 0.00 WAT +ATOM 53389 H2 TIP3 15693 40.898 36.014 21.860 1.00 0.00 WAT +ATOM 53390 OH2 TIP3 15694 35.069 37.165 19.696 1.00 0.00 WAT +ATOM 53391 H1 TIP3 15694 34.261 37.442 19.226 1.00 0.00 WAT +ATOM 53392 H2 TIP3 15694 35.354 36.377 19.197 1.00 0.00 WAT +ATOM 53393 OH2 TIP3 15695 38.741 37.471 17.324 1.00 0.00 WAT +ATOM 53394 H1 TIP3 15695 39.693 37.652 17.376 1.00 0.00 WAT +ATOM 53395 H2 TIP3 15695 38.434 38.076 16.623 1.00 0.00 WAT +ATOM 53396 OH2 TIP3 15696 37.216 38.759 15.131 1.00 0.00 WAT +ATOM 53397 H1 TIP3 15696 36.626 38.472 14.415 1.00 0.00 WAT +ATOM 53398 H2 TIP3 15696 38.035 38.931 14.635 1.00 0.00 WAT +ATOM 53399 OH2 TIP3 15697 36.078 43.153 29.798 1.00 0.00 WAT +ATOM 53400 H1 TIP3 15697 36.691 43.615 30.403 1.00 0.00 WAT +ATOM 53401 H2 TIP3 15697 35.298 43.051 30.383 1.00 0.00 WAT +ATOM 53402 OH2 TIP3 15698 41.274 37.983 22.673 1.00 0.00 WAT +ATOM 53403 H1 TIP3 15698 42.048 37.899 22.101 1.00 0.00 WAT +ATOM 53404 H2 TIP3 15698 41.718 38.023 23.538 1.00 0.00 WAT +ATOM 53405 OH2 TIP3 15699 36.839 34.875 19.052 1.00 0.00 WAT +ATOM 53406 H1 TIP3 15699 36.271 34.094 19.159 1.00 0.00 WAT +ATOM 53407 H2 TIP3 15699 37.596 34.514 18.575 1.00 0.00 WAT +ATOM 53408 OH2 TIP3 15700 40.150 36.529 25.515 1.00 0.00 WAT +ATOM 53409 H1 TIP3 15700 39.767 37.293 25.059 1.00 0.00 WAT +ATOM 53410 H2 TIP3 15700 40.939 36.937 25.914 1.00 0.00 WAT +ATOM 53411 OH2 TIP3 15701 40.716 43.266 17.088 1.00 0.00 WAT +ATOM 53412 H1 TIP3 15701 39.965 42.893 16.581 1.00 0.00 WAT +ATOM 53413 H2 TIP3 15701 40.391 43.250 17.997 1.00 0.00 WAT +ATOM 53414 OH2 TIP3 15702 35.947 42.393 22.582 1.00 0.00 WAT +ATOM 53415 H1 TIP3 15702 36.626 42.369 21.872 1.00 0.00 WAT +ATOM 53416 H2 TIP3 15702 36.215 41.627 23.112 1.00 0.00 WAT +ATOM 53417 OH2 TIP3 15703 33.108 40.797 28.013 1.00 0.00 WAT +ATOM 53418 H1 TIP3 15703 33.194 40.418 28.909 1.00 0.00 WAT +ATOM 53419 H2 TIP3 15703 32.359 40.307 27.635 1.00 0.00 WAT +ATOM 53420 OH2 TIP3 15704 39.999 40.150 30.113 1.00 0.00 WAT +ATOM 53421 H1 TIP3 15704 39.740 40.209 29.184 1.00 0.00 WAT +ATOM 53422 H2 TIP3 15704 40.896 40.544 30.052 1.00 0.00 WAT +ATOM 53423 OH2 TIP3 15705 34.086 40.932 14.581 1.00 0.00 WAT +ATOM 53424 H1 TIP3 15705 34.667 41.551 15.048 1.00 0.00 WAT +ATOM 53425 H2 TIP3 15705 33.227 41.107 15.020 1.00 0.00 WAT +ATOM 53426 OH2 TIP3 15706 34.610 35.515 27.391 1.00 0.00 WAT +ATOM 53427 H1 TIP3 15706 33.698 35.801 27.192 1.00 0.00 WAT +ATOM 53428 H2 TIP3 15706 34.423 34.713 27.913 1.00 0.00 WAT +ATOM 53429 OH2 TIP3 15707 35.861 -43.859 16.444 1.00 0.00 WAT +ATOM 53430 H1 TIP3 15707 34.944 -43.531 16.554 1.00 0.00 WAT +ATOM 53431 H2 TIP3 15707 36.302 -43.046 16.155 1.00 0.00 WAT +ATOM 53432 OH2 TIP3 15708 43.229 35.922 26.713 1.00 0.00 WAT +ATOM 53433 H1 TIP3 15708 43.953 35.341 26.956 1.00 0.00 WAT +ATOM 53434 H2 TIP3 15708 42.673 35.343 26.186 1.00 0.00 WAT +ATOM 53435 OH2 TIP3 15709 41.423 36.800 18.420 1.00 0.00 WAT +ATOM 53436 H1 TIP3 15709 42.004 37.539 18.709 1.00 0.00 WAT +ATOM 53437 H2 TIP3 15709 41.031 36.595 19.285 1.00 0.00 WAT +ATOM 53438 OH2 TIP3 15710 41.764 37.958 27.787 1.00 0.00 WAT +ATOM 53439 H1 TIP3 15710 41.945 38.299 28.675 1.00 0.00 WAT +ATOM 53440 H2 TIP3 15710 42.443 37.257 27.709 1.00 0.00 WAT +ATOM 53441 OH2 TIP3 15711 41.953 33.879 19.636 1.00 0.00 WAT +ATOM 53442 H1 TIP3 15711 41.661 34.691 20.110 1.00 0.00 WAT +ATOM 53443 H2 TIP3 15711 42.716 34.215 19.132 1.00 0.00 WAT +ATOM 53444 OH2 TIP3 15712 37.671 34.944 15.892 1.00 0.00 WAT +ATOM 53445 H1 TIP3 15712 37.719 35.732 16.462 1.00 0.00 WAT +ATOM 53446 H2 TIP3 15712 38.492 34.475 16.122 1.00 0.00 WAT +ATOM 53447 OH2 TIP3 15713 34.209 38.001 14.122 1.00 0.00 WAT +ATOM 53448 H1 TIP3 15713 34.349 38.951 14.270 1.00 0.00 WAT +ATOM 53449 H2 TIP3 15713 33.391 37.993 13.609 1.00 0.00 WAT +ATOM 53450 OH2 TIP3 15714 35.598 33.086 23.092 1.00 0.00 WAT +ATOM 53451 H1 TIP3 15714 35.485 33.180 22.127 1.00 0.00 WAT +ATOM 53452 H2 TIP3 15714 35.116 32.259 23.272 1.00 0.00 WAT +ATOM 53453 OH2 TIP3 15715 33.635 43.068 30.973 1.00 0.00 WAT +ATOM 53454 H1 TIP3 15715 33.451 42.111 30.936 1.00 0.00 WAT +ATOM 53455 H2 TIP3 15715 32.845 43.477 30.610 1.00 0.00 WAT +ATOM 53456 OH2 TIP3 15716 39.482 43.235 30.494 1.00 0.00 WAT +ATOM 53457 H1 TIP3 15716 39.572 43.437 29.542 1.00 0.00 WAT +ATOM 53458 H2 TIP3 15716 40.154 42.533 30.581 1.00 0.00 WAT +ATOM 53459 OH2 TIP3 15717 34.237 40.253 30.636 1.00 0.00 WAT +ATOM 53460 H1 TIP3 15717 34.959 39.610 30.582 1.00 0.00 WAT +ATOM 53461 H2 TIP3 15717 34.244 40.459 31.589 1.00 0.00 WAT +ATOM 53462 OH2 TIP3 15718 38.771 41.628 15.796 1.00 0.00 WAT +ATOM 53463 H1 TIP3 15718 38.114 41.137 16.303 1.00 0.00 WAT +ATOM 53464 H2 TIP3 15718 38.994 41.001 15.086 1.00 0.00 WAT +ATOM 53465 OH2 TIP3 15719 37.926 39.284 27.944 1.00 0.00 WAT +ATOM 53466 H1 TIP3 15719 37.425 40.081 28.194 1.00 0.00 WAT +ATOM 53467 H2 TIP3 15719 38.629 39.668 27.384 1.00 0.00 WAT +ATOM 53468 OH2 TIP3 15720 39.772 39.552 14.011 1.00 0.00 WAT +ATOM 53469 H1 TIP3 15720 39.708 39.672 13.045 1.00 0.00 WAT +ATOM 53470 H2 TIP3 15720 40.721 39.697 14.161 1.00 0.00 WAT +ATOM 53471 OH2 TIP3 15721 38.327 36.402 28.620 1.00 0.00 WAT +ATOM 53472 H1 TIP3 15721 39.117 36.081 28.178 1.00 0.00 WAT +ATOM 53473 H2 TIP3 15721 38.388 37.365 28.489 1.00 0.00 WAT +ATOM 53474 OH2 TIP3 15722 40.375 40.513 26.698 1.00 0.00 WAT +ATOM 53475 H1 TIP3 15722 41.260 40.451 26.291 1.00 0.00 WAT +ATOM 53476 H2 TIP3 15722 40.155 41.439 26.523 1.00 0.00 WAT +ATOM 53477 OH2 TIP3 15723 36.820 38.340 31.038 1.00 0.00 WAT +ATOM 53478 H1 TIP3 15723 36.248 37.573 30.846 1.00 0.00 WAT +ATOM 53479 H2 TIP3 15723 37.543 38.235 30.405 1.00 0.00 WAT +ATOM 53480 OH2 TIP3 15724 39.501 32.825 27.113 1.00 0.00 WAT +ATOM 53481 H1 TIP3 15724 39.498 33.703 26.727 1.00 0.00 WAT +ATOM 53482 H2 TIP3 15724 38.944 32.323 26.482 1.00 0.00 WAT +ATOM 53483 OH2 TIP3 15725 41.124 37.044 30.768 1.00 0.00 WAT +ATOM 53484 H1 TIP3 15725 40.800 36.740 31.627 1.00 0.00 WAT +ATOM 53485 H2 TIP3 15725 40.369 36.899 30.196 1.00 0.00 WAT +ATOM 53486 OH2 TIP3 15726 35.312 35.939 30.686 1.00 0.00 WAT +ATOM 53487 H1 TIP3 15726 35.239 35.164 30.104 1.00 0.00 WAT +ATOM 53488 H2 TIP3 15726 35.134 35.538 31.556 1.00 0.00 WAT +ATOM 53489 OH2 TIP3 15727 39.700 32.008 30.133 1.00 0.00 WAT +ATOM 53490 H1 TIP3 15727 40.399 31.330 30.008 1.00 0.00 WAT +ATOM 53491 H2 TIP3 15727 39.623 32.317 29.212 1.00 0.00 WAT +ATOM 53492 OH2 TIP3 15728 32.726 41.878 23.961 1.00 0.00 WAT +ATOM 53493 H1 TIP3 15728 32.811 42.027 23.007 1.00 0.00 WAT +ATOM 53494 H2 TIP3 15728 33.638 41.614 24.206 1.00 0.00 WAT +ATOM 53495 OH2 TIP3 15729 32.790 37.174 30.084 1.00 0.00 WAT +ATOM 53496 H1 TIP3 15729 33.710 36.885 30.232 1.00 0.00 WAT +ATOM 53497 H2 TIP3 15729 32.316 36.325 30.158 1.00 0.00 WAT +ATOM 53498 OH2 TIP3 15730 33.530 35.302 22.917 1.00 0.00 WAT +ATOM 53499 H1 TIP3 15730 34.019 34.472 23.019 1.00 0.00 WAT +ATOM 53500 H2 TIP3 15730 34.115 35.912 23.394 1.00 0.00 WAT +ATOM 53501 OH2 TIP3 15731 32.089 38.113 24.027 1.00 0.00 WAT +ATOM 53502 H1 TIP3 15731 32.617 38.165 23.214 1.00 0.00 WAT +ATOM 53503 H2 TIP3 15731 32.363 38.921 24.481 1.00 0.00 WAT +ATOM 53504 OH2 TIP3 15732 32.522 34.522 18.117 1.00 0.00 WAT +ATOM 53505 H1 TIP3 15732 31.579 34.518 17.876 1.00 0.00 WAT +ATOM 53506 H2 TIP3 15732 32.923 35.089 17.428 1.00 0.00 WAT +ATOM 53507 OH2 TIP3 15733 32.427 33.285 26.311 1.00 0.00 WAT +ATOM 53508 H1 TIP3 15733 31.692 33.026 26.884 1.00 0.00 WAT +ATOM 53509 H2 TIP3 15733 31.969 33.841 25.653 1.00 0.00 WAT +ATOM 53510 OH2 TIP3 15734 42.605 33.784 22.642 1.00 0.00 WAT +ATOM 53511 H1 TIP3 15734 41.673 33.526 22.580 1.00 0.00 WAT +ATOM 53512 H2 TIP3 15734 42.907 33.669 21.734 1.00 0.00 WAT +ATOM 53513 OH2 TIP3 15735 34.834 33.021 20.180 1.00 0.00 WAT +ATOM 53514 H1 TIP3 15735 33.971 32.947 19.730 1.00 0.00 WAT +ATOM 53515 H2 TIP3 15735 35.207 32.138 20.000 1.00 0.00 WAT +ATOM 53516 OH2 TIP3 15736 33.652 32.488 15.927 1.00 0.00 WAT +ATOM 53517 H1 TIP3 15736 34.133 33.152 15.397 1.00 0.00 WAT +ATOM 53518 H2 TIP3 15736 33.202 33.040 16.586 1.00 0.00 WAT +ATOM 53519 OH2 TIP3 15737 39.334 32.831 19.923 1.00 0.00 WAT +ATOM 53520 H1 TIP3 15737 40.258 33.129 19.822 1.00 0.00 WAT +ATOM 53521 H2 TIP3 15737 39.284 32.744 20.883 1.00 0.00 WAT +ATOM 53522 OH2 TIP3 15738 35.320 34.312 14.356 1.00 0.00 WAT +ATOM 53523 H1 TIP3 15738 35.927 33.769 13.824 1.00 0.00 WAT +ATOM 53524 H2 TIP3 15738 35.924 34.652 15.044 1.00 0.00 WAT +ATOM 53525 OH2 TIP3 15739 40.679 34.517 16.918 1.00 0.00 WAT +ATOM 53526 H1 TIP3 15739 40.648 33.904 17.666 1.00 0.00 WAT +ATOM 53527 H2 TIP3 15739 40.597 35.380 17.361 1.00 0.00 WAT +ATOM 53528 OH2 TIP3 15740 34.609 33.305 29.610 1.00 0.00 WAT +ATOM 53529 H1 TIP3 15740 34.165 32.479 29.876 1.00 0.00 WAT +ATOM 53530 H2 TIP3 15740 35.537 33.081 29.732 1.00 0.00 WAT +ATOM 53531 OH2 TIP3 15741 37.190 32.553 31.549 1.00 0.00 WAT +ATOM 53532 H1 TIP3 15741 37.805 32.259 30.845 1.00 0.00 WAT +ATOM 53533 H2 TIP3 15741 36.591 31.785 31.636 1.00 0.00 WAT +ATOM 53534 OH2 TIP3 15742 -32.002 -34.112 39.825 1.00 0.00 WAT +ATOM 53535 H1 TIP3 15742 -31.733 -33.244 40.153 1.00 0.00 WAT +ATOM 53536 H2 TIP3 15742 -32.424 -33.890 38.984 1.00 0.00 WAT +ATOM 53537 OH2 TIP3 15743 -32.790 -34.263 42.590 1.00 0.00 WAT +ATOM 53538 H1 TIP3 15743 -32.790 -35.062 43.147 1.00 0.00 WAT +ATOM 53539 H2 TIP3 15743 -32.741 -34.629 41.689 1.00 0.00 WAT +ATOM 53540 OH2 TIP3 15744 -29.249 -31.533 40.359 1.00 0.00 WAT +ATOM 53541 H1 TIP3 15744 -29.598 -32.196 40.976 1.00 0.00 WAT +ATOM 53542 H2 TIP3 15744 -28.780 -30.985 41.025 1.00 0.00 WAT +ATOM 53543 OH2 TIP3 15745 -39.519 -30.048 42.437 1.00 0.00 WAT +ATOM 53544 H1 TIP3 15745 -39.895 -30.919 42.236 1.00 0.00 WAT +ATOM 53545 H2 TIP3 15745 -38.583 -30.294 42.552 1.00 0.00 WAT +ATOM 53546 OH2 TIP3 15746 -41.866 -35.700 36.833 1.00 0.00 WAT +ATOM 53547 H1 TIP3 15746 -42.163 -35.131 37.575 1.00 0.00 WAT +ATOM 53548 H2 TIP3 15746 -42.150 -36.560 37.133 1.00 0.00 WAT +ATOM 53549 OH2 TIP3 15747 -41.983 -34.416 39.357 1.00 0.00 WAT +ATOM 53550 H1 TIP3 15747 -41.946 -34.787 40.250 1.00 0.00 WAT +ATOM 53551 H2 TIP3 15747 -41.180 -33.886 39.335 1.00 0.00 WAT +ATOM 53552 OH2 TIP3 15748 -32.134 -26.132 41.101 1.00 0.00 WAT +ATOM 53553 H1 TIP3 15748 -31.476 -26.780 40.792 1.00 0.00 WAT +ATOM 53554 H2 TIP3 15748 -32.328 -26.430 42.001 1.00 0.00 WAT +ATOM 53555 OH2 TIP3 15749 -34.770 -32.022 42.746 1.00 0.00 WAT +ATOM 53556 H1 TIP3 15749 -34.317 -32.728 42.258 1.00 0.00 WAT +ATOM 53557 H2 TIP3 15749 -33.978 -31.666 43.206 1.00 0.00 WAT +ATOM 53558 OH2 TIP3 15750 -31.175 -37.236 43.214 1.00 0.00 WAT +ATOM 53559 H1 TIP3 15750 -30.773 -38.093 43.435 1.00 0.00 WAT +ATOM 53560 H2 TIP3 15750 -31.117 -37.217 42.240 1.00 0.00 WAT +ATOM 53561 OH2 TIP3 15751 -38.106 -39.404 40.414 1.00 0.00 WAT +ATOM 53562 H1 TIP3 15751 -37.885 -38.559 39.980 1.00 0.00 WAT +ATOM 53563 H2 TIP3 15751 -38.392 -39.928 39.642 1.00 0.00 WAT +ATOM 53564 OH2 TIP3 15752 -30.125 -39.172 38.738 1.00 0.00 WAT +ATOM 53565 H1 TIP3 15752 -29.554 -39.635 39.389 1.00 0.00 WAT +ATOM 53566 H2 TIP3 15752 -29.457 -38.774 38.161 1.00 0.00 WAT +ATOM 53567 OH2 TIP3 15753 -41.174 -36.730 41.089 1.00 0.00 WAT +ATOM 53568 H1 TIP3 15753 -40.754 -37.371 41.667 1.00 0.00 WAT +ATOM 53569 H2 TIP3 15753 -41.097 -37.171 40.227 1.00 0.00 WAT +ATOM 53570 OH2 TIP3 15754 -36.035 -35.310 40.560 1.00 0.00 WAT +ATOM 53571 H1 TIP3 15754 -35.261 -35.841 40.823 1.00 0.00 WAT +ATOM 53572 H2 TIP3 15754 -36.466 -35.911 39.921 1.00 0.00 WAT +ATOM 53573 OH2 TIP3 15755 -31.719 -30.800 37.958 1.00 0.00 WAT +ATOM 53574 H1 TIP3 15755 -31.996 -31.090 37.088 1.00 0.00 WAT +ATOM 53575 H2 TIP3 15755 -32.191 -29.967 38.092 1.00 0.00 WAT +ATOM 53576 OH2 TIP3 15756 -28.288 -40.124 40.716 1.00 0.00 WAT +ATOM 53577 H1 TIP3 15756 -28.638 -40.662 41.443 1.00 0.00 WAT +ATOM 53578 H2 TIP3 15756 -27.774 -39.486 41.242 1.00 0.00 WAT +ATOM 53579 OH2 TIP3 15757 -38.783 -38.481 42.971 1.00 0.00 WAT +ATOM 53580 H1 TIP3 15757 -39.026 -37.562 42.813 1.00 0.00 WAT +ATOM 53581 H2 TIP3 15757 -38.873 -38.897 42.091 1.00 0.00 WAT +ATOM 53582 OH2 TIP3 15758 -41.820 -31.182 36.282 1.00 0.00 WAT +ATOM 53583 H1 TIP3 15758 -42.645 -31.016 35.783 1.00 0.00 WAT +ATOM 53584 H2 TIP3 15758 -41.911 -30.581 37.042 1.00 0.00 WAT +ATOM 53585 OH2 TIP3 15759 -28.234 -30.576 42.637 1.00 0.00 WAT +ATOM 53586 H1 TIP3 15759 -28.899 -30.578 43.353 1.00 0.00 WAT +ATOM 53587 H2 TIP3 15759 -27.564 -29.989 43.002 1.00 0.00 WAT +ATOM 53588 OH2 TIP3 15760 -35.176 43.795 41.689 1.00 0.00 WAT +ATOM 53589 H1 TIP3 15760 -35.074 42.866 41.935 1.00 0.00 WAT +ATOM 53590 H2 TIP3 15760 -35.886 44.101 42.278 1.00 0.00 WAT +ATOM 53591 OH2 TIP3 15761 -30.237 -27.771 39.652 1.00 0.00 WAT +ATOM 53592 H1 TIP3 15761 -29.734 -28.551 39.336 1.00 0.00 WAT +ATOM 53593 H2 TIP3 15761 -29.584 -27.067 39.508 1.00 0.00 WAT +ATOM 53594 OH2 TIP3 15762 -28.730 -29.874 38.239 1.00 0.00 WAT +ATOM 53595 H1 TIP3 15762 -29.183 -30.338 37.522 1.00 0.00 WAT +ATOM 53596 H2 TIP3 15762 -28.839 -30.519 38.968 1.00 0.00 WAT +ATOM 53597 OH2 TIP3 15763 -32.990 -34.058 36.386 1.00 0.00 WAT +ATOM 53598 H1 TIP3 15763 -33.652 -33.582 35.863 1.00 0.00 WAT +ATOM 53599 H2 TIP3 15763 -32.238 -34.102 35.771 1.00 0.00 WAT +ATOM 53600 OH2 TIP3 15764 -32.674 -35.941 33.476 1.00 0.00 WAT +ATOM 53601 H1 TIP3 15764 -31.957 -35.644 34.066 1.00 0.00 WAT +ATOM 53602 H2 TIP3 15764 -32.184 -36.535 32.890 1.00 0.00 WAT +ATOM 53603 OH2 TIP3 15765 -29.454 -34.157 37.494 1.00 0.00 WAT +ATOM 53604 H1 TIP3 15765 -30.052 -33.886 38.205 1.00 0.00 WAT +ATOM 53605 H2 TIP3 15765 -28.816 -34.713 37.982 1.00 0.00 WAT +ATOM 53606 OH2 TIP3 15766 -37.760 -33.316 39.215 1.00 0.00 WAT +ATOM 53607 H1 TIP3 15766 -38.179 -33.779 38.463 1.00 0.00 WAT +ATOM 53608 H2 TIP3 15766 -37.234 -34.024 39.623 1.00 0.00 WAT +ATOM 53609 OH2 TIP3 15767 -36.740 -30.096 41.544 1.00 0.00 WAT +ATOM 53610 H1 TIP3 15767 -36.627 -30.593 40.725 1.00 0.00 WAT +ATOM 53611 H2 TIP3 15767 -35.978 -30.383 42.064 1.00 0.00 WAT +ATOM 53612 OH2 TIP3 15768 -37.658 -34.495 42.704 1.00 0.00 WAT +ATOM 53613 H1 TIP3 15768 -36.978 -34.673 42.024 1.00 0.00 WAT +ATOM 53614 H2 TIP3 15768 -37.123 -34.293 43.480 1.00 0.00 WAT +ATOM 53615 OH2 TIP3 15769 -30.512 -34.680 34.952 1.00 0.00 WAT +ATOM 53616 H1 TIP3 15769 -30.010 -34.432 35.756 1.00 0.00 WAT +ATOM 53617 H2 TIP3 15769 -30.001 -34.188 34.261 1.00 0.00 WAT +ATOM 53618 OH2 TIP3 15770 -33.044 -28.005 38.305 1.00 0.00 WAT +ATOM 53619 H1 TIP3 15770 -32.535 -27.949 39.131 1.00 0.00 WAT +ATOM 53620 H2 TIP3 15770 -33.687 -27.292 38.407 1.00 0.00 WAT +ATOM 53621 OH2 TIP3 15771 -27.296 -43.215 34.152 1.00 0.00 WAT +ATOM 53622 H1 TIP3 15771 -27.731 -43.238 35.018 1.00 0.00 WAT +ATOM 53623 H2 TIP3 15771 -26.508 -42.701 34.379 1.00 0.00 WAT +ATOM 53624 OH2 TIP3 15772 -38.931 -34.640 36.781 1.00 0.00 WAT +ATOM 53625 H1 TIP3 15772 -39.193 -33.880 36.236 1.00 0.00 WAT +ATOM 53626 H2 TIP3 15772 -39.681 -35.241 36.636 1.00 0.00 WAT +ATOM 53627 OH2 TIP3 15773 -25.650 -28.815 32.951 1.00 0.00 WAT +ATOM 53628 H1 TIP3 15773 -25.481 -27.880 33.185 1.00 0.00 WAT +ATOM 53629 H2 TIP3 15773 -24.793 -29.230 33.166 1.00 0.00 WAT +ATOM 53630 OH2 TIP3 15774 -42.863 -28.994 42.139 1.00 0.00 WAT +ATOM 53631 H1 TIP3 15774 -42.097 -29.496 42.448 1.00 0.00 WAT +ATOM 53632 H2 TIP3 15774 -43.084 -28.523 42.948 1.00 0.00 WAT +ATOM 53633 OH2 TIP3 15775 -33.728 -25.143 36.301 1.00 0.00 WAT +ATOM 53634 H1 TIP3 15775 -32.822 -25.262 35.990 1.00 0.00 WAT +ATOM 53635 H2 TIP3 15775 -33.564 -24.629 37.113 1.00 0.00 WAT +ATOM 53636 OH2 TIP3 15776 -39.738 -26.284 38.610 1.00 0.00 WAT +ATOM 53637 H1 TIP3 15776 -39.504 -26.675 39.477 1.00 0.00 WAT +ATOM 53638 H2 TIP3 15776 -40.551 -26.781 38.423 1.00 0.00 WAT +ATOM 53639 OH2 TIP3 15777 -30.603 -26.169 34.186 1.00 0.00 WAT +ATOM 53640 H1 TIP3 15777 -30.020 -26.676 33.594 1.00 0.00 WAT +ATOM 53641 H2 TIP3 15777 -30.291 -26.496 35.044 1.00 0.00 WAT +ATOM 53642 OH2 TIP3 15778 -31.273 -26.111 37.336 1.00 0.00 WAT +ATOM 53643 H1 TIP3 15778 -32.064 -26.668 37.360 1.00 0.00 WAT +ATOM 53644 H2 TIP3 15778 -30.606 -26.780 37.588 1.00 0.00 WAT +ATOM 53645 OH2 TIP3 15779 -37.733 -42.114 42.977 1.00 0.00 WAT +ATOM 53646 H1 TIP3 15779 -38.438 -42.116 42.321 1.00 0.00 WAT +ATOM 53647 H2 TIP3 15779 -37.494 -41.173 43.055 1.00 0.00 WAT +ATOM 53648 OH2 TIP3 15780 -28.950 -33.617 32.955 1.00 0.00 WAT +ATOM 53649 H1 TIP3 15780 -29.143 -33.794 32.014 1.00 0.00 WAT +ATOM 53650 H2 TIP3 15780 -28.008 -33.370 32.903 1.00 0.00 WAT +ATOM 53651 OH2 TIP3 15781 -33.293 -39.925 33.408 1.00 0.00 WAT +ATOM 53652 H1 TIP3 15781 -33.824 -40.051 34.220 1.00 0.00 WAT +ATOM 53653 H2 TIP3 15781 -33.781 -40.534 32.812 1.00 0.00 WAT +ATOM 53654 OH2 TIP3 15782 -37.669 -37.060 38.839 1.00 0.00 WAT +ATOM 53655 H1 TIP3 15782 -38.624 -37.116 38.656 1.00 0.00 WAT +ATOM 53656 H2 TIP3 15782 -37.312 -37.268 37.951 1.00 0.00 WAT +ATOM 53657 OH2 TIP3 15783 -32.035 -36.471 37.615 1.00 0.00 WAT +ATOM 53658 H1 TIP3 15783 -32.474 -35.674 37.256 1.00 0.00 WAT +ATOM 53659 H2 TIP3 15783 -31.378 -36.663 36.925 1.00 0.00 WAT +ATOM 53660 OH2 TIP3 15784 -31.257 -37.121 40.444 1.00 0.00 WAT +ATOM 53661 H1 TIP3 15784 -31.562 -36.516 39.738 1.00 0.00 WAT +ATOM 53662 H2 TIP3 15784 -31.042 -37.912 39.907 1.00 0.00 WAT +ATOM 53663 OH2 TIP3 15785 -36.906 -39.366 32.381 1.00 0.00 WAT +ATOM 53664 H1 TIP3 15785 -37.241 -39.789 33.191 1.00 0.00 WAT +ATOM 53665 H2 TIP3 15785 -37.693 -39.285 31.830 1.00 0.00 WAT +ATOM 53666 OH2 TIP3 15786 -43.231 -39.422 39.327 1.00 0.00 WAT +ATOM 53667 H1 TIP3 15786 -43.011 -39.606 40.259 1.00 0.00 WAT +ATOM 53668 H2 TIP3 15786 -42.853 -40.178 38.874 1.00 0.00 WAT +ATOM 53669 OH2 TIP3 15787 -42.135 -38.807 35.330 1.00 0.00 WAT +ATOM 53670 H1 TIP3 15787 -41.520 -38.637 34.588 1.00 0.00 WAT +ATOM 53671 H2 TIP3 15787 -42.978 -38.589 34.918 1.00 0.00 WAT +ATOM 53672 OH2 TIP3 15788 -34.969 -39.397 39.827 1.00 0.00 WAT +ATOM 53673 H1 TIP3 15788 -35.891 -39.604 40.052 1.00 0.00 WAT +ATOM 53674 H2 TIP3 15788 -34.498 -39.742 40.603 1.00 0.00 WAT +ATOM 53675 OH2 TIP3 15789 -40.368 -38.221 38.472 1.00 0.00 WAT +ATOM 53676 H1 TIP3 15789 -41.219 -38.211 38.027 1.00 0.00 WAT +ATOM 53677 H2 TIP3 15789 -39.985 -39.058 38.142 1.00 0.00 WAT +ATOM 53678 OH2 TIP3 15790 -36.719 -37.902 36.233 1.00 0.00 WAT +ATOM 53679 H1 TIP3 15790 -35.746 -37.868 36.270 1.00 0.00 WAT +ATOM 53680 H2 TIP3 15790 -36.943 -37.308 35.497 1.00 0.00 WAT +ATOM 53681 OH2 TIP3 15791 -30.554 -40.716 42.700 1.00 0.00 WAT +ATOM 53682 H1 TIP3 15791 -30.880 -40.471 43.581 1.00 0.00 WAT +ATOM 53683 H2 TIP3 15791 -31.368 -40.761 42.175 1.00 0.00 WAT +ATOM 53684 OH2 TIP3 15792 -38.248 -36.662 33.966 1.00 0.00 WAT +ATOM 53685 H1 TIP3 15792 -38.830 -36.989 33.265 1.00 0.00 WAT +ATOM 53686 H2 TIP3 15792 -37.426 -36.496 33.474 1.00 0.00 WAT +ATOM 53687 OH2 TIP3 15793 -34.032 -37.072 41.927 1.00 0.00 WAT +ATOM 53688 H1 TIP3 15793 -33.314 -37.370 41.346 1.00 0.00 WAT +ATOM 53689 H2 TIP3 15793 -33.977 -37.726 42.639 1.00 0.00 WAT +ATOM 53690 OH2 TIP3 15794 -38.794 -40.596 37.913 1.00 0.00 WAT +ATOM 53691 H1 TIP3 15794 -39.203 -41.466 38.045 1.00 0.00 WAT +ATOM 53692 H2 TIP3 15794 -37.934 -40.841 37.536 1.00 0.00 WAT +ATOM 53693 OH2 TIP3 15795 -34.922 -31.906 35.764 1.00 0.00 WAT +ATOM 53694 H1 TIP3 15795 -35.594 -32.538 35.424 1.00 0.00 WAT +ATOM 53695 H2 TIP3 15795 -34.975 -32.048 36.732 1.00 0.00 WAT +ATOM 53696 OH2 TIP3 15796 -30.612 -39.304 33.433 1.00 0.00 WAT +ATOM 53697 H1 TIP3 15796 -31.593 -39.386 33.467 1.00 0.00 WAT +ATOM 53698 H2 TIP3 15796 -30.425 -38.627 34.113 1.00 0.00 WAT +ATOM 53699 OH2 TIP3 15797 -29.964 -37.482 35.594 1.00 0.00 WAT +ATOM 53700 H1 TIP3 15797 -29.102 -37.640 36.029 1.00 0.00 WAT +ATOM 53701 H2 TIP3 15797 -29.832 -36.607 35.191 1.00 0.00 WAT +ATOM 53702 OH2 TIP3 15798 -39.684 -33.092 41.525 1.00 0.00 WAT +ATOM 53703 H1 TIP3 15798 -39.022 -32.913 40.841 1.00 0.00 WAT +ATOM 53704 H2 TIP3 15798 -39.181 -33.706 42.097 1.00 0.00 WAT +ATOM 53705 OH2 TIP3 15799 -32.485 -30.536 34.710 1.00 0.00 WAT +ATOM 53706 H1 TIP3 15799 -32.715 -29.751 35.219 1.00 0.00 WAT +ATOM 53707 H2 TIP3 15799 -33.152 -31.177 35.011 1.00 0.00 WAT +ATOM 53708 OH2 TIP3 15800 -25.343 -37.454 35.393 1.00 0.00 WAT +ATOM 53709 H1 TIP3 15800 -25.900 -37.655 34.615 1.00 0.00 WAT +ATOM 53710 H2 TIP3 15800 -25.224 -36.494 35.248 1.00 0.00 WAT +ATOM 53711 OH2 TIP3 15801 -27.322 -29.048 35.290 1.00 0.00 WAT +ATOM 53712 H1 TIP3 15801 -27.293 -29.659 36.037 1.00 0.00 WAT +ATOM 53713 H2 TIP3 15801 -26.514 -29.235 34.799 1.00 0.00 WAT +ATOM 53714 OH2 TIP3 15802 -30.151 -33.281 42.407 1.00 0.00 WAT +ATOM 53715 H1 TIP3 15802 -30.942 -33.716 42.772 1.00 0.00 WAT +ATOM 53716 H2 TIP3 15802 -29.649 -34.042 42.062 1.00 0.00 WAT +ATOM 53717 OH2 TIP3 15803 -37.236 -29.374 38.657 1.00 0.00 WAT +ATOM 53718 H1 TIP3 15803 -36.871 -28.474 38.657 1.00 0.00 WAT +ATOM 53719 H2 TIP3 15803 -38.186 -29.195 38.680 1.00 0.00 WAT +ATOM 53720 OH2 TIP3 15804 -41.532 -34.453 33.562 1.00 0.00 WAT +ATOM 53721 H1 TIP3 15804 -40.816 -33.944 33.991 1.00 0.00 WAT +ATOM 53722 H2 TIP3 15804 -42.293 -33.902 33.788 1.00 0.00 WAT +ATOM 53723 OH2 TIP3 15805 -35.432 -31.667 38.661 1.00 0.00 WAT +ATOM 53724 H1 TIP3 15805 -35.857 -30.793 38.638 1.00 0.00 WAT +ATOM 53725 H2 TIP3 15805 -36.174 -32.237 38.928 1.00 0.00 WAT +ATOM 53726 OH2 TIP3 15806 -36.763 -26.609 37.864 1.00 0.00 WAT +ATOM 53727 H1 TIP3 15806 -37.724 -26.480 37.860 1.00 0.00 WAT +ATOM 53728 H2 TIP3 15806 -36.454 -25.725 38.131 1.00 0.00 WAT +ATOM 53729 OH2 TIP3 15807 -29.724 -30.377 33.347 1.00 0.00 WAT +ATOM 53730 H1 TIP3 15807 -29.237 -30.779 34.088 1.00 0.00 WAT +ATOM 53731 H2 TIP3 15807 -30.630 -30.518 33.657 1.00 0.00 WAT +ATOM 53732 OH2 TIP3 15808 -24.908 -26.184 33.789 1.00 0.00 WAT +ATOM 53733 H1 TIP3 15808 -24.213 -25.513 33.670 1.00 0.00 WAT +ATOM 53734 H2 TIP3 15808 -25.677 -25.598 33.886 1.00 0.00 WAT +ATOM 53735 OH2 TIP3 15809 -28.764 -31.822 35.770 1.00 0.00 WAT +ATOM 53736 H1 TIP3 15809 -28.953 -32.569 36.360 1.00 0.00 WAT +ATOM 53737 H2 TIP3 15809 -27.791 -31.790 35.793 1.00 0.00 WAT +ATOM 53738 OH2 TIP3 15810 -35.422 -29.307 31.963 1.00 0.00 WAT +ATOM 53739 H1 TIP3 15810 -35.100 -30.049 31.417 1.00 0.00 WAT +ATOM 53740 H2 TIP3 15810 -35.835 -29.786 32.698 1.00 0.00 WAT +ATOM 53741 OH2 TIP3 15811 -36.529 -29.469 34.779 1.00 0.00 WAT +ATOM 53742 H1 TIP3 15811 -36.186 -30.259 35.231 1.00 0.00 WAT +ATOM 53743 H2 TIP3 15811 -36.352 -28.779 35.428 1.00 0.00 WAT +ATOM 53744 OH2 TIP3 15812 -39.856 -32.429 34.989 1.00 0.00 WAT +ATOM 53745 H1 TIP3 15812 -40.570 -32.054 35.559 1.00 0.00 WAT +ATOM 53746 H2 TIP3 15812 -39.403 -31.605 34.757 1.00 0.00 WAT +ATOM 53747 OH2 TIP3 15813 -31.357 -40.567 36.306 1.00 0.00 WAT +ATOM 53748 H1 TIP3 15813 -31.275 -39.968 35.550 1.00 0.00 WAT +ATOM 53749 H2 TIP3 15813 -30.989 -40.030 37.027 1.00 0.00 WAT +ATOM 53750 OH2 TIP3 15814 -34.043 -38.479 37.306 1.00 0.00 WAT +ATOM 53751 H1 TIP3 15814 -33.269 -37.904 37.470 1.00 0.00 WAT +ATOM 53752 H2 TIP3 15814 -34.339 -38.686 38.216 1.00 0.00 WAT +ATOM 53753 OH2 TIP3 15815 -33.406 -41.719 38.241 1.00 0.00 WAT +ATOM 53754 H1 TIP3 15815 -33.601 -41.000 38.859 1.00 0.00 WAT +ATOM 53755 H2 TIP3 15815 -32.754 -41.307 37.648 1.00 0.00 WAT +ATOM 53756 OH2 TIP3 15816 -37.761 -40.506 34.825 1.00 0.00 WAT +ATOM 53757 H1 TIP3 15816 -37.705 -39.677 35.332 1.00 0.00 WAT +ATOM 53758 H2 TIP3 15816 -36.886 -40.890 35.040 1.00 0.00 WAT +ATOM 53759 OH2 TIP3 15817 -28.948 -35.704 41.406 1.00 0.00 WAT +ATOM 53760 H1 TIP3 15817 -29.739 -36.177 41.092 1.00 0.00 WAT +ATOM 53761 H2 TIP3 15817 -28.396 -36.457 41.723 1.00 0.00 WAT +ATOM 53762 OH2 TIP3 15818 -39.232 -29.590 33.831 1.00 0.00 WAT +ATOM 53763 H1 TIP3 15818 -38.421 -29.226 34.224 1.00 0.00 WAT +ATOM 53764 H2 TIP3 15818 -38.861 -30.162 33.143 1.00 0.00 WAT +ATOM 53765 OH2 TIP3 15819 -41.148 -37.470 32.986 1.00 0.00 WAT +ATOM 53766 H1 TIP3 15819 -41.080 -36.519 33.168 1.00 0.00 WAT +ATOM 53767 H2 TIP3 15819 -41.916 -37.546 32.408 1.00 0.00 WAT +ATOM 53768 OH2 TIP3 15820 -27.937 -26.152 43.660 1.00 0.00 WAT +ATOM 53769 H1 TIP3 15820 -28.143 -25.467 42.994 1.00 0.00 WAT +ATOM 53770 H2 TIP3 15820 -27.017 -26.301 43.410 1.00 0.00 WAT +ATOM 53771 OH2 TIP3 15821 -40.869 -42.379 41.825 1.00 0.00 WAT +ATOM 53772 H1 TIP3 15821 -40.645 -42.483 40.890 1.00 0.00 WAT +ATOM 53773 H2 TIP3 15821 -40.861 -43.305 42.118 1.00 0.00 WAT +ATOM 53774 OH2 TIP3 15822 -41.354 -28.791 37.973 1.00 0.00 WAT +ATOM 53775 H1 TIP3 15822 -42.274 -28.493 38.070 1.00 0.00 WAT +ATOM 53776 H2 TIP3 15822 -41.088 -28.375 37.143 1.00 0.00 WAT +ATOM 53777 OH2 TIP3 15823 -33.449 -27.426 32.662 1.00 0.00 WAT +ATOM 53778 H1 TIP3 15823 -33.992 -28.211 32.426 1.00 0.00 WAT +ATOM 53779 H2 TIP3 15823 -32.559 -27.768 32.460 1.00 0.00 WAT +ATOM 53780 OH2 TIP3 15824 -28.693 -27.670 32.603 1.00 0.00 WAT +ATOM 53781 H1 TIP3 15824 -28.485 -28.412 33.202 1.00 0.00 WAT +ATOM 53782 H2 TIP3 15824 -27.876 -27.622 32.078 1.00 0.00 WAT +ATOM 53783 OH2 TIP3 15825 -37.766 -31.846 32.342 1.00 0.00 WAT +ATOM 53784 H1 TIP3 15825 -37.625 -32.526 33.022 1.00 0.00 WAT +ATOM 53785 H2 TIP3 15825 -36.955 -31.952 31.805 1.00 0.00 WAT +ATOM 53786 OH2 TIP3 15826 -32.618 -30.588 31.886 1.00 0.00 WAT +ATOM 53787 H1 TIP3 15826 -32.582 -30.618 32.857 1.00 0.00 WAT +ATOM 53788 H2 TIP3 15826 -32.603 -31.548 31.681 1.00 0.00 WAT +ATOM 53789 OH2 TIP3 15827 -36.714 -33.839 34.622 1.00 0.00 WAT +ATOM 53790 H1 TIP3 15827 -37.336 -34.348 35.167 1.00 0.00 WAT +ATOM 53791 H2 TIP3 15827 -36.425 -34.526 33.984 1.00 0.00 WAT +ATOM 53792 OH2 TIP3 15828 -35.756 -35.809 32.870 1.00 0.00 WAT +ATOM 53793 H1 TIP3 15828 -35.791 -35.760 31.897 1.00 0.00 WAT +ATOM 53794 H2 TIP3 15828 -34.796 -35.888 33.022 1.00 0.00 WAT +ATOM 53795 OH2 TIP3 15829 -26.263 -33.314 32.195 1.00 0.00 WAT +ATOM 53796 H1 TIP3 15829 -26.347 -33.733 31.325 1.00 0.00 WAT +ATOM 53797 H2 TIP3 15829 -26.338 -32.367 31.951 1.00 0.00 WAT +ATOM 53798 OH2 TIP3 15830 -41.960 -29.701 33.033 1.00 0.00 WAT +ATOM 53799 H1 TIP3 15830 -41.255 -29.794 33.696 1.00 0.00 WAT +ATOM 53800 H2 TIP3 15830 -42.208 -30.620 32.851 1.00 0.00 WAT +ATOM 53801 OH2 TIP3 15831 -42.714 -26.924 40.178 1.00 0.00 WAT +ATOM 53802 H1 TIP3 15831 -42.748 -27.827 40.548 1.00 0.00 WAT +ATOM 53803 H2 TIP3 15831 -42.460 -26.453 40.990 1.00 0.00 WAT +ATOM 53804 OH2 TIP3 15832 -25.184 -25.504 42.904 1.00 0.00 WAT +ATOM 53805 H1 TIP3 15832 -25.048 -25.880 43.790 1.00 0.00 WAT +ATOM 53806 H2 TIP3 15832 -24.271 -25.522 42.594 1.00 0.00 WAT +ATOM 53807 OH2 TIP3 15833 -25.866 -31.933 36.149 1.00 0.00 WAT +ATOM 53808 H1 TIP3 15833 -24.955 -31.608 36.287 1.00 0.00 WAT +ATOM 53809 H2 TIP3 15833 -25.925 -32.579 36.877 1.00 0.00 WAT +ATOM 53810 OH2 TIP3 15834 -25.392 -33.970 38.132 1.00 0.00 WAT +ATOM 53811 H1 TIP3 15834 -26.050 -34.547 38.560 1.00 0.00 WAT +ATOM 53812 H2 TIP3 15834 -24.690 -33.893 38.811 1.00 0.00 WAT +ATOM 53813 OH2 TIP3 15835 -25.641 -31.908 43.550 1.00 0.00 WAT +ATOM 53814 H1 TIP3 15835 -25.014 -32.280 42.920 1.00 0.00 WAT +ATOM 53815 H2 TIP3 15835 -25.665 -30.962 43.324 1.00 0.00 WAT +ATOM 53816 OH2 TIP3 15836 -25.162 -34.552 34.693 1.00 0.00 WAT +ATOM 53817 H1 TIP3 15836 -25.656 -34.246 33.909 1.00 0.00 WAT +ATOM 53818 H2 TIP3 15836 -25.262 -33.791 35.285 1.00 0.00 WAT +ATOM 53819 OH2 TIP3 15837 -26.903 -36.970 32.938 1.00 0.00 WAT +ATOM 53820 H1 TIP3 15837 -26.598 -36.381 32.234 1.00 0.00 WAT +ATOM 53821 H2 TIP3 15837 -27.124 -37.786 32.451 1.00 0.00 WAT +ATOM 53822 OH2 TIP3 15838 -27.520 -35.829 38.924 1.00 0.00 WAT +ATOM 53823 H1 TIP3 15838 -27.537 -36.785 38.746 1.00 0.00 WAT +ATOM 53824 H2 TIP3 15838 -27.846 -35.776 39.840 1.00 0.00 WAT +ATOM 53825 OH2 TIP3 15839 -42.170 -33.008 43.158 1.00 0.00 WAT +ATOM 53826 H1 TIP3 15839 -42.677 -33.303 42.380 1.00 0.00 WAT +ATOM 53827 H2 TIP3 15839 -41.451 -33.650 43.175 1.00 0.00 WAT +ATOM 53828 OH2 TIP3 15840 -27.458 -39.682 32.119 1.00 0.00 WAT +ATOM 53829 H1 TIP3 15840 -26.854 -40.122 32.744 1.00 0.00 WAT +ATOM 53830 H2 TIP3 15840 -28.273 -40.193 32.215 1.00 0.00 WAT +ATOM 53831 OH2 TIP3 15841 -27.633 -38.268 37.114 1.00 0.00 WAT +ATOM 53832 H1 TIP3 15841 -27.465 -39.239 37.177 1.00 0.00 WAT +ATOM 53833 H2 TIP3 15841 -26.806 -37.979 36.690 1.00 0.00 WAT +ATOM 53834 OH2 TIP3 15842 -27.410 -37.746 42.182 1.00 0.00 WAT +ATOM 53835 H1 TIP3 15842 -26.450 -37.743 42.327 1.00 0.00 WAT +ATOM 53836 H2 TIP3 15842 -27.752 -37.829 43.089 1.00 0.00 WAT +ATOM 53837 OH2 TIP3 15843 -27.333 -40.986 37.195 1.00 0.00 WAT +ATOM 53838 H1 TIP3 15843 -27.103 -41.488 37.992 1.00 0.00 WAT +ATOM 53839 H2 TIP3 15843 -27.952 -41.602 36.758 1.00 0.00 WAT +ATOM 53840 OH2 TIP3 15844 -41.690 -39.725 41.907 1.00 0.00 WAT +ATOM 53841 H1 TIP3 15844 -41.638 -40.701 41.997 1.00 0.00 WAT +ATOM 53842 H2 TIP3 15844 -41.133 -39.468 42.649 1.00 0.00 WAT +ATOM 53843 OH2 TIP3 15845 -43.428 -37.123 43.182 1.00 0.00 WAT +ATOM 53844 H1 TIP3 15845 -43.093 -37.590 42.402 1.00 0.00 WAT +ATOM 53845 H2 TIP3 15845 -42.988 -36.269 43.096 1.00 0.00 WAT +ATOM 53846 OH2 TIP3 15846 -25.204 -40.559 33.783 1.00 0.00 WAT +ATOM 53847 H1 TIP3 15846 -25.021 -41.422 33.355 1.00 0.00 WAT +ATOM 53848 H2 TIP3 15846 -24.330 -40.148 33.829 1.00 0.00 WAT +ATOM 53849 OH2 TIP3 15847 -43.136 -41.068 36.544 1.00 0.00 WAT +ATOM 53850 H1 TIP3 15847 -43.974 -40.777 36.161 1.00 0.00 WAT +ATOM 53851 H2 TIP3 15847 -42.534 -40.373 36.198 1.00 0.00 WAT +ATOM 53852 OH2 TIP3 15848 -28.120 -25.728 39.113 1.00 0.00 WAT +ATOM 53853 H1 TIP3 15848 -27.437 -26.370 38.899 1.00 0.00 WAT +ATOM 53854 H2 TIP3 15848 -27.701 -25.250 39.855 1.00 0.00 WAT +ATOM 53855 OH2 TIP3 15849 -41.519 -26.432 42.665 1.00 0.00 WAT +ATOM 53856 H1 TIP3 15849 -41.320 -26.597 43.598 1.00 0.00 WAT +ATOM 53857 H2 TIP3 15849 -40.665 -26.659 42.263 1.00 0.00 WAT +ATOM 53858 OH2 TIP3 15850 -39.088 -27.495 41.157 1.00 0.00 WAT +ATOM 53859 H1 TIP3 15850 -39.264 -28.412 41.456 1.00 0.00 WAT +ATOM 53860 H2 TIP3 15850 -38.202 -27.337 41.523 1.00 0.00 WAT +ATOM 53861 OH2 TIP3 15851 -36.264 -27.021 42.122 1.00 0.00 WAT +ATOM 53862 H1 TIP3 15851 -36.114 -27.924 41.800 1.00 0.00 WAT +ATOM 53863 H2 TIP3 15851 -36.298 -27.178 43.072 1.00 0.00 WAT +ATOM 53864 OH2 TIP3 15852 -33.022 -41.095 41.273 1.00 0.00 WAT +ATOM 53865 H1 TIP3 15852 -33.637 -41.808 41.523 1.00 0.00 WAT +ATOM 53866 H2 TIP3 15852 -32.347 -41.593 40.768 1.00 0.00 WAT +ATOM 53867 OH2 TIP3 15853 -27.699 -43.488 41.510 1.00 0.00 WAT +ATOM 53868 H1 TIP3 15853 -27.153 -42.808 41.097 1.00 0.00 WAT +ATOM 53869 H2 TIP3 15853 -28.570 -43.091 41.603 1.00 0.00 WAT +ATOM 53870 OH2 TIP3 15854 -25.766 -42.207 39.557 1.00 0.00 WAT +ATOM 53871 H1 TIP3 15854 -25.188 -42.438 38.826 1.00 0.00 WAT +ATOM 53872 H2 TIP3 15854 -25.565 -41.265 39.700 1.00 0.00 WAT +ATOM 53873 OH2 TIP3 15855 -40.759 -42.805 38.715 1.00 0.00 WAT +ATOM 53874 H1 TIP3 15855 -41.592 -43.156 38.373 1.00 0.00 WAT +ATOM 53875 H2 TIP3 15855 -40.234 -43.599 38.862 1.00 0.00 WAT +ATOM 53876 OH2 TIP3 15856 -42.054 -43.006 34.748 1.00 0.00 WAT +ATOM 53877 H1 TIP3 15856 -41.715 -42.375 34.086 1.00 0.00 WAT +ATOM 53878 H2 TIP3 15856 -42.571 -42.417 35.331 1.00 0.00 WAT +ATOM 53879 OH2 TIP3 15857 -36.174 -42.304 38.909 1.00 0.00 WAT +ATOM 53880 H1 TIP3 15857 -35.232 -42.318 38.671 1.00 0.00 WAT +ATOM 53881 H2 TIP3 15857 -36.203 -42.900 39.667 1.00 0.00 WAT +ATOM 53882 OH2 TIP3 15858 -30.850 -42.692 40.119 1.00 0.00 WAT +ATOM 53883 H1 TIP3 15858 -30.192 -42.707 39.413 1.00 0.00 WAT +ATOM 53884 H2 TIP3 15858 -30.600 -43.461 40.668 1.00 0.00 WAT +ATOM 53885 OH2 TIP3 15859 -29.486 -42.720 36.202 1.00 0.00 WAT +ATOM 53886 H1 TIP3 15859 -30.254 -42.140 36.033 1.00 0.00 WAT +ATOM 53887 H2 TIP3 15859 -29.885 -43.599 36.236 1.00 0.00 WAT +ATOM 53888 OH2 TIP3 15860 -41.822 -26.916 35.671 1.00 0.00 WAT +ATOM 53889 H1 TIP3 15860 -42.531 -27.110 35.048 1.00 0.00 WAT +ATOM 53890 H2 TIP3 15860 -41.859 -25.952 35.722 1.00 0.00 WAT +ATOM 53891 OH2 TIP3 15861 -40.093 -41.118 33.322 1.00 0.00 WAT +ATOM 53892 H1 TIP3 15861 -39.471 -41.572 32.730 1.00 0.00 WAT +ATOM 53893 H2 TIP3 15861 -39.472 -40.708 33.955 1.00 0.00 WAT +ATOM 53894 OH2 TIP3 15862 -34.921 -40.586 35.609 1.00 0.00 WAT +ATOM 53895 H1 TIP3 15862 -34.807 -41.434 36.087 1.00 0.00 WAT +ATOM 53896 H2 TIP3 15862 -34.710 -39.921 36.291 1.00 0.00 WAT +ATOM 53897 OH2 TIP3 15863 -26.015 -26.058 36.520 1.00 0.00 WAT +ATOM 53898 H1 TIP3 15863 -26.536 -26.830 36.232 1.00 0.00 WAT +ATOM 53899 H2 TIP3 15863 -26.295 -25.406 35.857 1.00 0.00 WAT +ATOM 53900 OH2 TIP3 15864 -40.060 -25.898 32.714 1.00 0.00 WAT +ATOM 53901 H1 TIP3 15864 -40.475 -25.726 33.574 1.00 0.00 WAT +ATOM 53902 H2 TIP3 15864 -39.515 -26.672 32.910 1.00 0.00 WAT +ATOM 53903 OH2 TIP3 15865 -12.800 -33.645 39.276 1.00 0.00 WAT +ATOM 53904 H1 TIP3 15865 -12.834 -32.676 39.246 1.00 0.00 WAT +ATOM 53905 H2 TIP3 15865 -13.462 -33.887 38.609 1.00 0.00 WAT +ATOM 53906 OH2 TIP3 15866 -13.902 -34.253 42.490 1.00 0.00 WAT +ATOM 53907 H1 TIP3 15866 -13.875 -35.049 43.049 1.00 0.00 WAT +ATOM 53908 H2 TIP3 15866 -13.960 -34.635 41.602 1.00 0.00 WAT +ATOM 53909 OH2 TIP3 15867 -9.611 -31.641 40.248 1.00 0.00 WAT +ATOM 53910 H1 TIP3 15867 -10.125 -32.326 40.692 1.00 0.00 WAT +ATOM 53911 H2 TIP3 15867 -9.474 -31.036 41.008 1.00 0.00 WAT +ATOM 53912 OH2 TIP3 15868 -20.761 -30.136 42.608 1.00 0.00 WAT +ATOM 53913 H1 TIP3 15868 -20.981 -31.035 42.313 1.00 0.00 WAT +ATOM 53914 H2 TIP3 15868 -19.791 -30.178 42.537 1.00 0.00 WAT +ATOM 53915 OH2 TIP3 15869 -23.783 -36.628 37.782 1.00 0.00 WAT +ATOM 53916 H1 TIP3 15869 -24.141 -35.732 37.889 1.00 0.00 WAT +ATOM 53917 H2 TIP3 15869 -24.519 -37.085 37.359 1.00 0.00 WAT +ATOM 53918 OH2 TIP3 15870 -23.033 -34.245 39.694 1.00 0.00 WAT +ATOM 53919 H1 TIP3 15870 -22.799 -34.972 40.300 1.00 0.00 WAT +ATOM 53920 H2 TIP3 15870 -22.174 -34.047 39.300 1.00 0.00 WAT +ATOM 53921 OH2 TIP3 15871 -13.180 -26.075 41.127 1.00 0.00 WAT +ATOM 53922 H1 TIP3 15871 -12.584 -26.792 40.845 1.00 0.00 WAT +ATOM 53923 H2 TIP3 15871 -13.533 -26.402 41.969 1.00 0.00 WAT +ATOM 53924 OH2 TIP3 15872 -15.954 -32.256 43.260 1.00 0.00 WAT +ATOM 53925 H1 TIP3 15872 -15.374 -32.621 42.572 1.00 0.00 WAT +ATOM 53926 H2 TIP3 15872 -16.159 -33.041 43.772 1.00 0.00 WAT +ATOM 53927 OH2 TIP3 15873 -12.336 -37.281 43.167 1.00 0.00 WAT +ATOM 53928 H1 TIP3 15873 -11.895 -38.115 43.402 1.00 0.00 WAT +ATOM 53929 H2 TIP3 15873 -12.215 -37.247 42.199 1.00 0.00 WAT +ATOM 53930 OH2 TIP3 15874 -19.281 -39.414 40.423 1.00 0.00 WAT +ATOM 53931 H1 TIP3 15874 -19.039 -38.566 40.002 1.00 0.00 WAT +ATOM 53932 H2 TIP3 15874 -19.590 -39.902 39.632 1.00 0.00 WAT +ATOM 53933 OH2 TIP3 15875 -22.251 -36.747 41.005 1.00 0.00 WAT +ATOM 53934 H1 TIP3 15875 -21.779 -37.380 41.550 1.00 0.00 WAT +ATOM 53935 H2 TIP3 15875 -22.211 -37.178 40.133 1.00 0.00 WAT +ATOM 53936 OH2 TIP3 15876 -17.148 -35.311 40.573 1.00 0.00 WAT +ATOM 53937 H1 TIP3 15876 -16.374 -35.856 40.804 1.00 0.00 WAT +ATOM 53938 H2 TIP3 15876 -17.593 -35.887 39.924 1.00 0.00 WAT +ATOM 53939 OH2 TIP3 15877 -12.804 -30.798 37.930 1.00 0.00 WAT +ATOM 53940 H1 TIP3 15877 -13.182 -31.071 37.090 1.00 0.00 WAT +ATOM 53941 H2 TIP3 15877 -13.280 -29.967 38.114 1.00 0.00 WAT +ATOM 53942 OH2 TIP3 15878 -9.258 -40.152 40.607 1.00 0.00 WAT +ATOM 53943 H1 TIP3 15878 -9.931 -40.634 41.110 1.00 0.00 WAT +ATOM 53944 H2 TIP3 15878 -9.030 -39.450 41.236 1.00 0.00 WAT +ATOM 53945 OH2 TIP3 15879 -20.019 -38.494 42.977 1.00 0.00 WAT +ATOM 53946 H1 TIP3 15879 -20.094 -37.549 42.799 1.00 0.00 WAT +ATOM 53947 H2 TIP3 15879 -20.009 -38.894 42.086 1.00 0.00 WAT +ATOM 53948 OH2 TIP3 15880 -23.126 -31.118 36.270 1.00 0.00 WAT +ATOM 53949 H1 TIP3 15880 -23.279 -30.602 35.460 1.00 0.00 WAT +ATOM 53950 H2 TIP3 15880 -22.944 -30.420 36.940 1.00 0.00 WAT +ATOM 53951 OH2 TIP3 15881 -9.383 -30.374 42.621 1.00 0.00 WAT +ATOM 53952 H1 TIP3 15881 -10.150 -30.514 43.213 1.00 0.00 WAT +ATOM 53953 H2 TIP3 15881 -8.914 -29.667 43.072 1.00 0.00 WAT +ATOM 53954 OH2 TIP3 15882 -16.393 -43.174 41.533 1.00 0.00 WAT +ATOM 53955 H1 TIP3 15882 -15.995 -43.975 41.901 1.00 0.00 WAT +ATOM 53956 H2 TIP3 15882 -16.875 -42.797 42.281 1.00 0.00 WAT +ATOM 53957 OH2 TIP3 15883 -11.304 -27.751 39.694 1.00 0.00 WAT +ATOM 53958 H1 TIP3 15883 -10.850 -28.523 39.303 1.00 0.00 WAT +ATOM 53959 H2 TIP3 15883 -10.696 -27.027 39.450 1.00 0.00 WAT +ATOM 53960 OH2 TIP3 15884 -9.884 -29.838 38.168 1.00 0.00 WAT +ATOM 53961 H1 TIP3 15884 -10.470 -30.316 37.564 1.00 0.00 WAT +ATOM 53962 H2 TIP3 15884 -9.783 -30.496 38.887 1.00 0.00 WAT +ATOM 53963 OH2 TIP3 15885 -14.120 -34.111 36.414 1.00 0.00 WAT +ATOM 53964 H1 TIP3 15885 -14.763 -33.519 35.982 1.00 0.00 WAT +ATOM 53965 H2 TIP3 15885 -13.384 -34.116 35.779 1.00 0.00 WAT +ATOM 53966 OH2 TIP3 15886 -13.828 -35.889 33.405 1.00 0.00 WAT +ATOM 53967 H1 TIP3 15886 -13.181 -35.644 34.093 1.00 0.00 WAT +ATOM 53968 H2 TIP3 15886 -13.338 -36.590 32.951 1.00 0.00 WAT +ATOM 53969 OH2 TIP3 15887 -10.584 -34.104 37.504 1.00 0.00 WAT +ATOM 53970 H1 TIP3 15887 -11.294 -33.951 38.163 1.00 0.00 WAT +ATOM 53971 H2 TIP3 15887 -10.048 -34.768 37.969 1.00 0.00 WAT +ATOM 53972 OH2 TIP3 15888 -19.005 -33.353 39.255 1.00 0.00 WAT +ATOM 53973 H1 TIP3 15888 -19.326 -33.808 38.454 1.00 0.00 WAT +ATOM 53974 H2 TIP3 15888 -18.393 -34.001 39.636 1.00 0.00 WAT +ATOM 53975 OH2 TIP3 15889 -17.841 -30.737 41.663 1.00 0.00 WAT +ATOM 53976 H1 TIP3 15889 -17.726 -30.583 40.717 1.00 0.00 WAT +ATOM 53977 H2 TIP3 15889 -17.165 -30.152 42.042 1.00 0.00 WAT +ATOM 53978 OH2 TIP3 15890 -18.866 -34.689 42.700 1.00 0.00 WAT +ATOM 53979 H1 TIP3 15890 -18.165 -34.661 42.019 1.00 0.00 WAT +ATOM 53980 H2 TIP3 15890 -18.556 -34.053 43.358 1.00 0.00 WAT +ATOM 53981 OH2 TIP3 15891 -11.673 -34.616 34.934 1.00 0.00 WAT +ATOM 53982 H1 TIP3 15891 -11.184 -34.427 35.760 1.00 0.00 WAT +ATOM 53983 H2 TIP3 15891 -11.144 -34.109 34.273 1.00 0.00 WAT +ATOM 53984 OH2 TIP3 15892 -14.122 -28.082 38.496 1.00 0.00 WAT +ATOM 53985 H1 TIP3 15892 -13.747 -27.771 39.328 1.00 0.00 WAT +ATOM 53986 H2 TIP3 15892 -14.686 -27.341 38.226 1.00 0.00 WAT +ATOM 53987 OH2 TIP3 15893 -8.417 -43.214 34.120 1.00 0.00 WAT +ATOM 53988 H1 TIP3 15893 -9.014 -43.220 34.889 1.00 0.00 WAT +ATOM 53989 H2 TIP3 15893 -7.669 -42.743 34.512 1.00 0.00 WAT +ATOM 53990 OH2 TIP3 15894 -20.066 -34.630 36.809 1.00 0.00 WAT +ATOM 53991 H1 TIP3 15894 -20.265 -33.871 36.235 1.00 0.00 WAT +ATOM 53992 H2 TIP3 15894 -20.724 -35.275 36.521 1.00 0.00 WAT +ATOM 53993 OH2 TIP3 15895 -6.808 -28.827 32.976 1.00 0.00 WAT +ATOM 53994 H1 TIP3 15895 -6.664 -27.889 33.213 1.00 0.00 WAT +ATOM 53995 H2 TIP3 15895 -5.941 -29.220 33.190 1.00 0.00 WAT +ATOM 53996 OH2 TIP3 15896 -14.603 -25.372 36.993 1.00 0.00 WAT +ATOM 53997 H1 TIP3 15896 -14.635 -25.273 36.027 1.00 0.00 WAT +ATOM 53998 H2 TIP3 15896 -14.594 -24.455 37.309 1.00 0.00 WAT +ATOM 53999 OH2 TIP3 15897 -20.667 -26.602 38.117 1.00 0.00 WAT +ATOM 54000 H1 TIP3 15897 -20.638 -26.458 39.089 1.00 0.00 WAT +ATOM 54001 H2 TIP3 15897 -21.619 -26.582 37.974 1.00 0.00 WAT +ATOM 54002 OH2 TIP3 15898 -11.339 -25.959 34.177 1.00 0.00 WAT +ATOM 54003 H1 TIP3 15898 -10.759 -26.614 33.740 1.00 0.00 WAT +ATOM 54004 H2 TIP3 15898 -11.396 -26.327 35.083 1.00 0.00 WAT +ATOM 54005 OH2 TIP3 15899 -11.951 -26.533 36.978 1.00 0.00 WAT +ATOM 54006 H1 TIP3 15899 -12.904 -26.385 37.122 1.00 0.00 WAT +ATOM 54007 H2 TIP3 15899 -11.806 -27.274 37.588 1.00 0.00 WAT +ATOM 54008 OH2 TIP3 15900 -18.891 -42.094 43.061 1.00 0.00 WAT +ATOM 54009 H1 TIP3 15900 -19.481 -42.205 42.309 1.00 0.00 WAT +ATOM 54010 H2 TIP3 15900 -18.643 -41.154 43.035 1.00 0.00 WAT +ATOM 54011 OH2 TIP3 15901 -10.080 -33.620 32.911 1.00 0.00 WAT +ATOM 54012 H1 TIP3 15901 -10.266 -33.836 31.979 1.00 0.00 WAT +ATOM 54013 H2 TIP3 15901 -9.141 -33.376 32.870 1.00 0.00 WAT +ATOM 54014 OH2 TIP3 15902 -14.516 -39.935 33.397 1.00 0.00 WAT +ATOM 54015 H1 TIP3 15902 -15.032 -39.996 34.217 1.00 0.00 WAT +ATOM 54016 H2 TIP3 15902 -14.999 -40.573 32.830 1.00 0.00 WAT +ATOM 54017 OH2 TIP3 15903 -18.807 -37.054 38.866 1.00 0.00 WAT +ATOM 54018 H1 TIP3 15903 -19.756 -37.134 38.667 1.00 0.00 WAT +ATOM 54019 H2 TIP3 15903 -18.428 -37.250 37.987 1.00 0.00 WAT +ATOM 54020 OH2 TIP3 15904 -13.008 -36.341 37.756 1.00 0.00 WAT +ATOM 54021 H1 TIP3 15904 -13.597 -35.735 37.269 1.00 0.00 WAT +ATOM 54022 H2 TIP3 15904 -12.521 -36.780 37.040 1.00 0.00 WAT +ATOM 54023 OH2 TIP3 15905 -12.284 -37.288 40.318 1.00 0.00 WAT +ATOM 54024 H1 TIP3 15905 -12.570 -36.771 39.531 1.00 0.00 WAT +ATOM 54025 H2 TIP3 15905 -12.204 -38.162 39.875 1.00 0.00 WAT +ATOM 54026 OH2 TIP3 15906 -18.052 -39.426 32.350 1.00 0.00 WAT +ATOM 54027 H1 TIP3 15906 -18.378 -39.778 33.198 1.00 0.00 WAT +ATOM 54028 H2 TIP3 15906 -18.862 -39.311 31.836 1.00 0.00 WAT +ATOM 54029 OH2 TIP3 15907 -24.582 -39.560 39.436 1.00 0.00 WAT +ATOM 54030 H1 TIP3 15907 -24.018 -39.559 40.231 1.00 0.00 WAT +ATOM 54031 H2 TIP3 15907 -24.013 -39.939 38.756 1.00 0.00 WAT +ATOM 54032 OH2 TIP3 15908 -23.007 -39.117 35.129 1.00 0.00 WAT +ATOM 54033 H1 TIP3 15908 -22.455 -38.609 34.501 1.00 0.00 WAT +ATOM 54034 H2 TIP3 15908 -23.709 -38.464 35.316 1.00 0.00 WAT +ATOM 54035 OH2 TIP3 15909 -16.282 -39.500 39.848 1.00 0.00 WAT +ATOM 54036 H1 TIP3 15909 -17.165 -39.621 40.219 1.00 0.00 WAT +ATOM 54037 H2 TIP3 15909 -15.700 -39.755 40.570 1.00 0.00 WAT +ATOM 54038 OH2 TIP3 15910 -21.502 -38.269 38.539 1.00 0.00 WAT +ATOM 54039 H1 TIP3 15910 -22.303 -37.965 38.073 1.00 0.00 WAT +ATOM 54040 H2 TIP3 15910 -21.225 -39.057 38.035 1.00 0.00 WAT +ATOM 54041 OH2 TIP3 15911 -17.996 -37.942 36.171 1.00 0.00 WAT +ATOM 54042 H1 TIP3 15911 -17.029 -37.894 36.326 1.00 0.00 WAT +ATOM 54043 H2 TIP3 15911 -18.152 -37.279 35.478 1.00 0.00 WAT +ATOM 54044 OH2 TIP3 15912 -11.843 -40.719 42.704 1.00 0.00 WAT +ATOM 54045 H1 TIP3 15912 -12.412 -40.463 43.440 1.00 0.00 WAT +ATOM 54046 H2 TIP3 15912 -12.427 -40.799 41.945 1.00 0.00 WAT +ATOM 54047 OH2 TIP3 15913 -19.439 -36.647 33.933 1.00 0.00 WAT +ATOM 54048 H1 TIP3 15913 -19.981 -36.946 33.188 1.00 0.00 WAT +ATOM 54049 H2 TIP3 15913 -18.599 -36.449 33.483 1.00 0.00 WAT +ATOM 54050 OH2 TIP3 15914 -15.100 -37.089 41.839 1.00 0.00 WAT +ATOM 54051 H1 TIP3 15914 -14.421 -37.428 41.232 1.00 0.00 WAT +ATOM 54052 H2 TIP3 15914 -15.025 -37.708 42.577 1.00 0.00 WAT +ATOM 54053 OH2 TIP3 15915 -19.882 -40.660 37.927 1.00 0.00 WAT +ATOM 54054 H1 TIP3 15915 -20.319 -41.525 38.011 1.00 0.00 WAT +ATOM 54055 H2 TIP3 15915 -19.052 -40.882 37.482 1.00 0.00 WAT +ATOM 54056 OH2 TIP3 15916 -15.950 -32.062 35.809 1.00 0.00 WAT +ATOM 54057 H1 TIP3 15916 -16.701 -32.590 35.464 1.00 0.00 WAT +ATOM 54058 H2 TIP3 15916 -16.114 -32.061 36.778 1.00 0.00 WAT +ATOM 54059 OH2 TIP3 15917 -11.777 -39.505 33.671 1.00 0.00 WAT +ATOM 54060 H1 TIP3 15917 -12.751 -39.594 33.761 1.00 0.00 WAT +ATOM 54061 H2 TIP3 15917 -11.570 -38.938 34.445 1.00 0.00 WAT +ATOM 54062 OH2 TIP3 15918 -11.089 -37.449 35.536 1.00 0.00 WAT +ATOM 54063 H1 TIP3 15918 -10.325 -37.631 36.117 1.00 0.00 WAT +ATOM 54064 H2 TIP3 15918 -10.872 -36.592 35.142 1.00 0.00 WAT +ATOM 54065 OH2 TIP3 15919 -20.966 -33.058 41.699 1.00 0.00 WAT +ATOM 54066 H1 TIP3 15919 -20.326 -32.859 40.997 1.00 0.00 WAT +ATOM 54067 H2 TIP3 15919 -20.451 -33.703 42.220 1.00 0.00 WAT +ATOM 54068 OH2 TIP3 15920 -13.529 -30.721 34.718 1.00 0.00 WAT +ATOM 54069 H1 TIP3 15920 -13.784 -29.867 35.123 1.00 0.00 WAT +ATOM 54070 H2 TIP3 15920 -14.263 -31.287 35.015 1.00 0.00 WAT +ATOM 54071 OH2 TIP3 15921 -6.439 -37.492 35.374 1.00 0.00 WAT +ATOM 54072 H1 TIP3 15921 -7.076 -37.674 34.658 1.00 0.00 WAT +ATOM 54073 H2 TIP3 15921 -6.375 -36.521 35.284 1.00 0.00 WAT +ATOM 54074 OH2 TIP3 15922 -8.288 -28.825 35.472 1.00 0.00 WAT +ATOM 54075 H1 TIP3 15922 -8.535 -29.590 36.012 1.00 0.00 WAT +ATOM 54076 H2 TIP3 15922 -7.746 -29.212 34.771 1.00 0.00 WAT +ATOM 54077 OH2 TIP3 15923 -11.066 -33.417 42.536 1.00 0.00 WAT +ATOM 54078 H1 TIP3 15923 -12.016 -33.576 42.650 1.00 0.00 WAT +ATOM 54079 H2 TIP3 15923 -10.792 -34.188 42.002 1.00 0.00 WAT +ATOM 54080 OH2 TIP3 15924 -18.376 -29.488 38.629 1.00 0.00 WAT +ATOM 54081 H1 TIP3 15924 -17.980 -28.625 38.820 1.00 0.00 WAT +ATOM 54082 H2 TIP3 15924 -19.314 -29.270 38.706 1.00 0.00 WAT +ATOM 54083 OH2 TIP3 15925 -22.418 -34.622 33.506 1.00 0.00 WAT +ATOM 54084 H1 TIP3 15925 -21.826 -33.957 33.904 1.00 0.00 WAT +ATOM 54085 H2 TIP3 15925 -23.285 -34.326 33.837 1.00 0.00 WAT +ATOM 54086 OH2 TIP3 15926 -16.579 -31.716 38.581 1.00 0.00 WAT +ATOM 54087 H1 TIP3 15926 -16.937 -30.811 38.575 1.00 0.00 WAT +ATOM 54088 H2 TIP3 15926 -17.325 -32.208 38.956 1.00 0.00 WAT +ATOM 54089 OH2 TIP3 15927 -17.883 -26.484 38.079 1.00 0.00 WAT +ATOM 54090 H1 TIP3 15927 -18.859 -26.487 38.112 1.00 0.00 WAT +ATOM 54091 H2 TIP3 15927 -17.667 -25.585 38.385 1.00 0.00 WAT +ATOM 54092 OH2 TIP3 15928 -10.830 -30.415 33.359 1.00 0.00 WAT +ATOM 54093 H1 TIP3 15928 -10.417 -30.875 34.114 1.00 0.00 WAT +ATOM 54094 H2 TIP3 15928 -11.763 -30.542 33.603 1.00 0.00 WAT +ATOM 54095 OH2 TIP3 15929 -6.089 -26.162 33.891 1.00 0.00 WAT +ATOM 54096 H1 TIP3 15929 -5.398 -25.516 33.669 1.00 0.00 WAT +ATOM 54097 H2 TIP3 15929 -6.859 -25.565 33.903 1.00 0.00 WAT +ATOM 54098 OH2 TIP3 15930 -9.857 -31.812 35.718 1.00 0.00 WAT +ATOM 54099 H1 TIP3 15930 -10.158 -32.511 36.326 1.00 0.00 WAT +ATOM 54100 H2 TIP3 15930 -8.895 -31.827 35.857 1.00 0.00 WAT +ATOM 54101 OH2 TIP3 15931 -16.593 -29.368 31.930 1.00 0.00 WAT +ATOM 54102 H1 TIP3 15931 -16.304 -30.169 31.457 1.00 0.00 WAT +ATOM 54103 H2 TIP3 15931 -17.009 -29.751 32.723 1.00 0.00 WAT +ATOM 54104 OH2 TIP3 15932 -17.741 -29.844 34.625 1.00 0.00 WAT +ATOM 54105 H1 TIP3 15932 -17.263 -30.373 35.281 1.00 0.00 WAT +ATOM 54106 H2 TIP3 15932 -17.621 -28.935 34.974 1.00 0.00 WAT +ATOM 54107 OH2 TIP3 15933 -20.921 -32.406 35.035 1.00 0.00 WAT +ATOM 54108 H1 TIP3 15933 -21.638 -32.020 35.575 1.00 0.00 WAT +ATOM 54109 H2 TIP3 15933 -20.433 -31.606 34.778 1.00 0.00 WAT +ATOM 54110 OH2 TIP3 15934 -14.789 -28.223 35.280 1.00 0.00 WAT +ATOM 54111 H1 TIP3 15934 -15.613 -27.747 35.474 1.00 0.00 WAT +ATOM 54112 H2 TIP3 15934 -14.457 -27.742 34.510 1.00 0.00 WAT +ATOM 54113 OH2 TIP3 15935 -15.398 -38.323 37.280 1.00 0.00 WAT +ATOM 54114 H1 TIP3 15935 -14.427 -38.237 37.316 1.00 0.00 WAT +ATOM 54115 H2 TIP3 15935 -15.534 -38.736 38.156 1.00 0.00 WAT +ATOM 54116 OH2 TIP3 15936 -17.590 -27.149 35.268 1.00 0.00 WAT +ATOM 54117 H1 TIP3 15936 -17.665 -26.315 34.760 1.00 0.00 WAT +ATOM 54118 H2 TIP3 15936 -17.757 -26.845 36.182 1.00 0.00 WAT +ATOM 54119 OH2 TIP3 15937 -18.849 -40.526 34.827 1.00 0.00 WAT +ATOM 54120 H1 TIP3 15937 -18.850 -39.690 35.330 1.00 0.00 WAT +ATOM 54121 H2 TIP3 15937 -17.953 -40.846 35.061 1.00 0.00 WAT +ATOM 54122 OH2 TIP3 15938 -10.099 -35.730 41.368 1.00 0.00 WAT +ATOM 54123 H1 TIP3 15938 -10.855 -36.223 41.001 1.00 0.00 WAT +ATOM 54124 H2 TIP3 15938 -9.539 -36.472 41.699 1.00 0.00 WAT +ATOM 54125 OH2 TIP3 15939 -20.482 -29.595 33.790 1.00 0.00 WAT +ATOM 54126 H1 TIP3 15939 -19.766 -29.096 34.220 1.00 0.00 WAT +ATOM 54127 H2 TIP3 15939 -19.956 -30.102 33.152 1.00 0.00 WAT +ATOM 54128 OH2 TIP3 15940 -22.333 -37.454 32.914 1.00 0.00 WAT +ATOM 54129 H1 TIP3 15940 -22.188 -36.516 33.146 1.00 0.00 WAT +ATOM 54130 H2 TIP3 15940 -23.210 -37.423 32.509 1.00 0.00 WAT +ATOM 54131 OH2 TIP3 15941 -8.001 -24.756 43.583 1.00 0.00 WAT +ATOM 54132 H1 TIP3 15941 -8.611 -24.394 42.905 1.00 0.00 WAT +ATOM 54133 H2 TIP3 15941 -7.706 -25.551 43.115 1.00 0.00 WAT +ATOM 54134 OH2 TIP3 15942 -22.178 -42.438 41.791 1.00 0.00 WAT +ATOM 54135 H1 TIP3 15942 -21.876 -42.415 40.874 1.00 0.00 WAT +ATOM 54136 H2 TIP3 15942 -21.845 -43.322 42.045 1.00 0.00 WAT +ATOM 54137 OH2 TIP3 15943 -22.654 -28.972 37.990 1.00 0.00 WAT +ATOM 54138 H1 TIP3 15943 -23.341 -28.312 38.136 1.00 0.00 WAT +ATOM 54139 H2 TIP3 15943 -21.989 -28.453 37.514 1.00 0.00 WAT +ATOM 54140 OH2 TIP3 15944 -14.372 -27.662 32.434 1.00 0.00 WAT +ATOM 54141 H1 TIP3 15944 -15.134 -28.274 32.346 1.00 0.00 WAT +ATOM 54142 H2 TIP3 15944 -13.666 -28.218 32.068 1.00 0.00 WAT +ATOM 54143 OH2 TIP3 15945 -9.745 -27.753 32.547 1.00 0.00 WAT +ATOM 54144 H1 TIP3 15945 -9.590 -28.563 33.061 1.00 0.00 WAT +ATOM 54145 H2 TIP3 15945 -8.952 -27.713 31.984 1.00 0.00 WAT +ATOM 54146 OH2 TIP3 15946 -18.947 -31.942 32.268 1.00 0.00 WAT +ATOM 54147 H1 TIP3 15946 -18.782 -32.519 33.032 1.00 0.00 WAT +ATOM 54148 H2 TIP3 15946 -18.077 -31.970 31.827 1.00 0.00 WAT +ATOM 54149 OH2 TIP3 15947 -13.702 -30.603 31.884 1.00 0.00 WAT +ATOM 54150 H1 TIP3 15947 -13.754 -30.643 32.856 1.00 0.00 WAT +ATOM 54151 H2 TIP3 15947 -13.766 -31.557 31.670 1.00 0.00 WAT +ATOM 54152 OH2 TIP3 15948 -17.861 -33.843 34.605 1.00 0.00 WAT +ATOM 54153 H1 TIP3 15948 -18.458 -34.355 35.169 1.00 0.00 WAT +ATOM 54154 H2 TIP3 15948 -17.554 -34.529 33.977 1.00 0.00 WAT +ATOM 54155 OH2 TIP3 15949 -16.912 -35.836 32.870 1.00 0.00 WAT +ATOM 54156 H1 TIP3 15949 -16.940 -35.747 31.900 1.00 0.00 WAT +ATOM 54157 H2 TIP3 15949 -15.950 -35.869 33.033 1.00 0.00 WAT +ATOM 54158 OH2 TIP3 15950 -7.373 -33.392 32.102 1.00 0.00 WAT +ATOM 54159 H1 TIP3 15950 -7.685 -33.664 31.225 1.00 0.00 WAT +ATOM 54160 H2 TIP3 15950 -7.426 -32.418 31.999 1.00 0.00 WAT +ATOM 54161 OH2 TIP3 15951 -17.147 -24.581 33.963 1.00 0.00 WAT +ATOM 54162 H1 TIP3 15951 -16.191 -24.490 34.085 1.00 0.00 WAT +ATOM 54163 H2 TIP3 15951 -17.261 -24.153 33.105 1.00 0.00 WAT +ATOM 54164 OH2 TIP3 15952 -23.230 -30.203 33.499 1.00 0.00 WAT +ATOM 54165 H1 TIP3 15952 -22.279 -30.005 33.644 1.00 0.00 WAT +ATOM 54166 H2 TIP3 15952 -23.188 -30.993 32.924 1.00 0.00 WAT +ATOM 54167 OH2 TIP3 15953 -24.163 -24.939 38.211 1.00 0.00 WAT +ATOM 54168 H1 TIP3 15953 -24.825 -25.358 37.615 1.00 0.00 WAT +ATOM 54169 H2 TIP3 15953 -24.134 -25.601 38.936 1.00 0.00 WAT +ATOM 54170 OH2 TIP3 15954 -24.052 -26.861 40.149 1.00 0.00 WAT +ATOM 54171 H1 TIP3 15954 -24.043 -27.773 40.456 1.00 0.00 WAT +ATOM 54172 H2 TIP3 15954 -23.373 -26.465 40.728 1.00 0.00 WAT +ATOM 54173 OH2 TIP3 15955 -6.042 -26.398 42.816 1.00 0.00 WAT +ATOM 54174 H1 TIP3 15955 -6.166 -26.161 43.759 1.00 0.00 WAT +ATOM 54175 H2 TIP3 15955 -5.371 -25.746 42.579 1.00 0.00 WAT +ATOM 54176 OH2 TIP3 15956 -6.986 -31.982 36.129 1.00 0.00 WAT +ATOM 54177 H1 TIP3 15956 -6.087 -31.641 36.303 1.00 0.00 WAT +ATOM 54178 H2 TIP3 15956 -7.102 -32.578 36.884 1.00 0.00 WAT +ATOM 54179 OH2 TIP3 15957 -6.360 -34.075 38.254 1.00 0.00 WAT +ATOM 54180 H1 TIP3 15957 -7.170 -34.551 38.539 1.00 0.00 WAT +ATOM 54181 H2 TIP3 15957 -5.918 -33.892 39.091 1.00 0.00 WAT +ATOM 54182 OH2 TIP3 15958 -6.431 -31.779 43.241 1.00 0.00 WAT +ATOM 54183 H1 TIP3 15958 -6.223 -32.053 42.348 1.00 0.00 WAT +ATOM 54184 H2 TIP3 15958 -6.952 -30.979 43.085 1.00 0.00 WAT +ATOM 54185 OH2 TIP3 15959 -6.272 -34.528 34.689 1.00 0.00 WAT +ATOM 54186 H1 TIP3 15959 -6.790 -34.273 33.904 1.00 0.00 WAT +ATOM 54187 H2 TIP3 15959 -6.420 -33.762 35.266 1.00 0.00 WAT +ATOM 54188 OH2 TIP3 15960 -8.017 -36.976 32.924 1.00 0.00 WAT +ATOM 54189 H1 TIP3 15960 -7.726 -36.397 32.207 1.00 0.00 WAT +ATOM 54190 H2 TIP3 15960 -8.264 -37.793 32.463 1.00 0.00 WAT +ATOM 54191 OH2 TIP3 15961 -8.523 -35.832 38.942 1.00 0.00 WAT +ATOM 54192 H1 TIP3 15961 -8.672 -36.760 38.672 1.00 0.00 WAT +ATOM 54193 H2 TIP3 15961 -8.998 -35.785 39.791 1.00 0.00 WAT +ATOM 54194 OH2 TIP3 15962 -23.744 -34.098 42.595 1.00 0.00 WAT +ATOM 54195 H1 TIP3 15962 -23.376 -33.727 41.776 1.00 0.00 WAT +ATOM 54196 H2 TIP3 15962 -22.967 -34.073 43.182 1.00 0.00 WAT +ATOM 54197 OH2 TIP3 15963 -8.530 -39.770 31.999 1.00 0.00 WAT +ATOM 54198 H1 TIP3 15963 -7.991 -40.128 32.732 1.00 0.00 WAT +ATOM 54199 H2 TIP3 15963 -9.390 -40.186 32.163 1.00 0.00 WAT +ATOM 54200 OH2 TIP3 15964 -8.715 -38.196 37.120 1.00 0.00 WAT +ATOM 54201 H1 TIP3 15964 -8.720 -39.163 37.273 1.00 0.00 WAT +ATOM 54202 H2 TIP3 15964 -7.861 -38.076 36.681 1.00 0.00 WAT +ATOM 54203 OH2 TIP3 15965 -8.564 -37.724 42.199 1.00 0.00 WAT +ATOM 54204 H1 TIP3 15965 -7.606 -37.788 42.339 1.00 0.00 WAT +ATOM 54205 H2 TIP3 15965 -8.927 -37.921 43.078 1.00 0.00 WAT +ATOM 54206 OH2 TIP3 15966 -8.362 -41.037 37.151 1.00 0.00 WAT +ATOM 54207 H1 TIP3 15966 -8.510 -41.311 38.065 1.00 0.00 WAT +ATOM 54208 H2 TIP3 15966 -9.113 -41.478 36.711 1.00 0.00 WAT +ATOM 54209 OH2 TIP3 15967 -23.013 -39.831 41.895 1.00 0.00 WAT +ATOM 54210 H1 TIP3 15967 -22.856 -40.798 41.982 1.00 0.00 WAT +ATOM 54211 H2 TIP3 15967 -22.382 -39.494 42.540 1.00 0.00 WAT +ATOM 54212 OH2 TIP3 15968 -24.629 -36.975 43.017 1.00 0.00 WAT +ATOM 54213 H1 TIP3 15968 -24.177 -37.351 42.243 1.00 0.00 WAT +ATOM 54214 H2 TIP3 15968 -24.339 -36.042 42.959 1.00 0.00 WAT +ATOM 54215 OH2 TIP3 15969 -6.340 -40.516 33.664 1.00 0.00 WAT +ATOM 54216 H1 TIP3 15969 -6.184 -41.433 33.401 1.00 0.00 WAT +ATOM 54217 H2 TIP3 15969 -5.456 -40.169 33.863 1.00 0.00 WAT +ATOM 54218 OH2 TIP3 15970 -24.012 -41.054 36.886 1.00 0.00 WAT +ATOM 54219 H1 TIP3 15970 -24.963 -40.930 36.724 1.00 0.00 WAT +ATOM 54220 H2 TIP3 15970 -23.610 -40.347 36.339 1.00 0.00 WAT +ATOM 54221 OH2 TIP3 15971 -9.470 -25.676 38.914 1.00 0.00 WAT +ATOM 54222 H1 TIP3 15971 -8.878 -25.932 38.187 1.00 0.00 WAT +ATOM 54223 H2 TIP3 15971 -8.861 -25.311 39.574 1.00 0.00 WAT +ATOM 54224 OH2 TIP3 15972 -22.664 -26.729 43.476 1.00 0.00 WAT +ATOM 54225 H1 TIP3 15972 -22.209 -27.497 43.828 1.00 0.00 WAT +ATOM 54226 H2 TIP3 15972 -22.100 -26.503 42.701 1.00 0.00 WAT +ATOM 54227 OH2 TIP3 15973 -19.242 -28.216 41.224 1.00 0.00 WAT +ATOM 54228 H1 TIP3 15973 -20.089 -28.663 41.385 1.00 0.00 WAT +ATOM 54229 H2 TIP3 15973 -19.550 -27.289 41.229 1.00 0.00 WAT +ATOM 54230 OH2 TIP3 15974 -17.039 -26.881 42.214 1.00 0.00 WAT +ATOM 54231 H1 TIP3 15974 -17.469 -27.594 41.706 1.00 0.00 WAT +ATOM 54232 H2 TIP3 15974 -17.415 -27.045 43.084 1.00 0.00 WAT +ATOM 54233 OH2 TIP3 15975 -8.812 -43.438 41.603 1.00 0.00 WAT +ATOM 54234 H1 TIP3 15975 -8.372 -42.739 41.115 1.00 0.00 WAT +ATOM 54235 H2 TIP3 15975 -9.756 -43.209 41.534 1.00 0.00 WAT +ATOM 54236 OH2 TIP3 15976 -6.595 -42.228 39.661 1.00 0.00 WAT +ATOM 54237 H1 TIP3 15976 -6.481 -42.404 38.727 1.00 0.00 WAT +ATOM 54238 H2 TIP3 15976 -6.884 -41.306 39.695 1.00 0.00 WAT +ATOM 54239 OH2 TIP3 15977 -21.790 -42.845 38.640 1.00 0.00 WAT +ATOM 54240 H1 TIP3 15977 -22.703 -43.086 38.449 1.00 0.00 WAT +ATOM 54241 H2 TIP3 15977 -21.412 -43.674 38.956 1.00 0.00 WAT +ATOM 54242 OH2 TIP3 15978 -23.203 -42.905 34.871 1.00 0.00 WAT +ATOM 54243 H1 TIP3 15978 -22.733 -42.419 34.168 1.00 0.00 WAT +ATOM 54244 H2 TIP3 15978 -23.564 -42.175 35.404 1.00 0.00 WAT +ATOM 54245 OH2 TIP3 15979 -17.033 -42.622 38.676 1.00 0.00 WAT +ATOM 54246 H1 TIP3 15979 -16.248 -42.091 38.859 1.00 0.00 WAT +ATOM 54247 H2 TIP3 15979 -17.261 -42.900 39.577 1.00 0.00 WAT +ATOM 54248 OH2 TIP3 15980 -11.474 -42.879 40.409 1.00 0.00 WAT +ATOM 54249 H1 TIP3 15980 -11.930 -42.492 39.649 1.00 0.00 WAT +ATOM 54250 H2 TIP3 15980 -11.940 -43.697 40.611 1.00 0.00 WAT +ATOM 54251 OH2 TIP3 15981 -10.642 -42.686 35.994 1.00 0.00 WAT +ATOM 54252 H1 TIP3 15981 -11.378 -42.063 36.105 1.00 0.00 WAT +ATOM 54253 H2 TIP3 15981 -11.006 -43.503 36.364 1.00 0.00 WAT +ATOM 54254 OH2 TIP3 15982 -22.812 -26.971 35.884 1.00 0.00 WAT +ATOM 54255 H1 TIP3 15982 -23.476 -27.044 35.183 1.00 0.00 WAT +ATOM 54256 H2 TIP3 15982 -22.786 -26.017 36.015 1.00 0.00 WAT +ATOM 54257 OH2 TIP3 15983 -21.268 -41.262 33.326 1.00 0.00 WAT +ATOM 54258 H1 TIP3 15983 -20.562 -41.607 32.751 1.00 0.00 WAT +ATOM 54259 H2 TIP3 15983 -20.744 -40.736 33.958 1.00 0.00 WAT +ATOM 54260 OH2 TIP3 15984 -16.120 -40.620 35.799 1.00 0.00 WAT +ATOM 54261 H1 TIP3 15984 -15.679 -41.344 36.269 1.00 0.00 WAT +ATOM 54262 H2 TIP3 15984 -15.853 -39.851 36.345 1.00 0.00 WAT +ATOM 54263 OH2 TIP3 15985 -14.095 -25.116 34.034 1.00 0.00 WAT +ATOM 54264 H1 TIP3 15985 -13.120 -25.122 34.006 1.00 0.00 WAT +ATOM 54265 H2 TIP3 15985 -14.291 -25.794 33.367 1.00 0.00 WAT +ATOM 54266 OH2 TIP3 15986 -7.574 -26.112 36.639 1.00 0.00 WAT +ATOM 54267 H1 TIP3 15986 -7.822 -26.949 36.195 1.00 0.00 WAT +ATOM 54268 H2 TIP3 15986 -7.626 -25.486 35.897 1.00 0.00 WAT +ATOM 54269 OH2 TIP3 15987 -21.323 -26.004 32.730 1.00 0.00 WAT +ATOM 54270 H1 TIP3 15987 -21.570 -25.772 33.636 1.00 0.00 WAT +ATOM 54271 H2 TIP3 15987 -20.558 -26.588 32.870 1.00 0.00 WAT +ATOM 54272 OH2 TIP3 15988 6.031 -33.700 39.228 1.00 0.00 WAT +ATOM 54273 H1 TIP3 15988 6.106 -32.733 39.302 1.00 0.00 WAT +ATOM 54274 H2 TIP3 15988 5.343 -33.781 38.551 1.00 0.00 WAT +ATOM 54275 OH2 TIP3 15989 4.977 -34.289 42.472 1.00 0.00 WAT +ATOM 54276 H1 TIP3 15989 4.938 -35.043 43.085 1.00 0.00 WAT +ATOM 54277 H2 TIP3 15989 4.890 -34.715 41.609 1.00 0.00 WAT +ATOM 54278 OH2 TIP3 15990 8.499 -31.519 40.352 1.00 0.00 WAT +ATOM 54279 H1 TIP3 15990 8.139 -32.219 40.919 1.00 0.00 WAT +ATOM 54280 H2 TIP3 15990 8.937 -31.012 41.064 1.00 0.00 WAT +ATOM 54281 OH2 TIP3 15991 -4.910 -36.496 37.812 1.00 0.00 WAT +ATOM 54282 H1 TIP3 15991 -5.418 -35.666 37.821 1.00 0.00 WAT +ATOM 54283 H2 TIP3 15991 -5.587 -37.130 37.543 1.00 0.00 WAT +ATOM 54284 OH2 TIP3 15992 -3.858 -33.940 40.481 1.00 0.00 WAT +ATOM 54285 H1 TIP3 15992 -3.941 -34.911 40.566 1.00 0.00 WAT +ATOM 54286 H2 TIP3 15992 -3.498 -33.871 39.583 1.00 0.00 WAT +ATOM 54287 OH2 TIP3 15993 5.583 -26.148 41.104 1.00 0.00 WAT +ATOM 54288 H1 TIP3 15993 6.264 -26.783 40.823 1.00 0.00 WAT +ATOM 54289 H2 TIP3 15993 5.384 -26.430 42.008 1.00 0.00 WAT +ATOM 54290 OH2 TIP3 15994 3.053 -31.990 42.784 1.00 0.00 WAT +ATOM 54291 H1 TIP3 15994 3.464 -32.671 42.229 1.00 0.00 WAT +ATOM 54292 H2 TIP3 15994 3.870 -31.630 43.188 1.00 0.00 WAT +ATOM 54293 OH2 TIP3 15995 6.539 -37.217 43.207 1.00 0.00 WAT +ATOM 54294 H1 TIP3 15995 6.922 -38.076 43.455 1.00 0.00 WAT +ATOM 54295 H2 TIP3 15995 6.598 -37.220 42.234 1.00 0.00 WAT +ATOM 54296 OH2 TIP3 15996 -0.404 -39.404 40.415 1.00 0.00 WAT +ATOM 54297 H1 TIP3 15996 -0.178 -38.564 39.973 1.00 0.00 WAT +ATOM 54298 H2 TIP3 15996 -0.698 -39.925 39.642 1.00 0.00 WAT +ATOM 54299 OH2 TIP3 15997 7.587 -39.182 38.736 1.00 0.00 WAT +ATOM 54300 H1 TIP3 15997 8.161 -39.641 39.385 1.00 0.00 WAT +ATOM 54301 H2 TIP3 15997 8.249 -38.767 38.164 1.00 0.00 WAT +ATOM 54302 OH2 TIP3 15998 -3.421 -36.739 40.999 1.00 0.00 WAT +ATOM 54303 H1 TIP3 15998 -2.988 -37.395 41.553 1.00 0.00 WAT +ATOM 54304 H2 TIP3 15998 -3.413 -37.198 40.138 1.00 0.00 WAT +ATOM 54305 OH2 TIP3 15999 1.656 -35.302 40.590 1.00 0.00 WAT +ATOM 54306 H1 TIP3 15999 2.428 -35.846 40.828 1.00 0.00 WAT +ATOM 54307 H2 TIP3 15999 1.245 -35.853 39.897 1.00 0.00 WAT +ATOM 54308 OH2 TIP3 16000 5.987 -30.843 37.927 1.00 0.00 WAT +ATOM 54309 H1 TIP3 16000 5.713 -31.010 37.021 1.00 0.00 WAT +ATOM 54310 H2 TIP3 16000 5.575 -29.981 38.116 1.00 0.00 WAT +ATOM 54311 OH2 TIP3 16001 9.455 -40.137 40.713 1.00 0.00 WAT +ATOM 54312 H1 TIP3 16001 9.059 -40.659 41.430 1.00 0.00 WAT +ATOM 54313 H2 TIP3 16001 9.937 -39.487 41.256 1.00 0.00 WAT +ATOM 54314 OH2 TIP3 16002 -1.108 -38.503 42.966 1.00 0.00 WAT +ATOM 54315 H1 TIP3 16002 -1.277 -37.571 42.789 1.00 0.00 WAT +ATOM 54316 H2 TIP3 16002 -1.126 -38.910 42.077 1.00 0.00 WAT +ATOM 54317 OH2 TIP3 16003 -4.259 -31.118 36.285 1.00 0.00 WAT +ATOM 54318 H1 TIP3 16003 -4.432 -30.648 35.449 1.00 0.00 WAT +ATOM 54319 H2 TIP3 16003 -4.081 -30.391 36.918 1.00 0.00 WAT +ATOM 54320 OH2 TIP3 16004 9.459 -30.907 42.769 1.00 0.00 WAT +ATOM 54321 H1 TIP3 16004 8.699 -30.739 43.358 1.00 0.00 WAT +ATOM 54322 H2 TIP3 16004 9.949 -30.086 42.854 1.00 0.00 WAT +ATOM 54323 OH2 TIP3 16005 2.494 43.780 41.650 1.00 0.00 WAT +ATOM 54324 H1 TIP3 16005 2.669 42.877 41.951 1.00 0.00 WAT +ATOM 54325 H2 TIP3 16005 1.838 44.102 42.292 1.00 0.00 WAT +ATOM 54326 OH2 TIP3 16006 7.461 -27.711 39.520 1.00 0.00 WAT +ATOM 54327 H1 TIP3 16006 7.980 -28.511 39.313 1.00 0.00 WAT +ATOM 54328 H2 TIP3 16006 8.158 -27.025 39.485 1.00 0.00 WAT +ATOM 54329 OH2 TIP3 16007 9.007 -29.909 38.189 1.00 0.00 WAT +ATOM 54330 H1 TIP3 16007 8.427 -30.334 37.544 1.00 0.00 WAT +ATOM 54331 H2 TIP3 16007 8.889 -30.508 38.956 1.00 0.00 WAT +ATOM 54332 OH2 TIP3 16008 4.755 -34.153 36.418 1.00 0.00 WAT +ATOM 54333 H1 TIP3 16008 4.101 -33.539 36.034 1.00 0.00 WAT +ATOM 54334 H2 TIP3 16008 5.478 -34.099 35.771 1.00 0.00 WAT +ATOM 54335 OH2 TIP3 16009 5.043 -35.953 33.456 1.00 0.00 WAT +ATOM 54336 H1 TIP3 16009 5.727 -35.647 34.079 1.00 0.00 WAT +ATOM 54337 H2 TIP3 16009 5.569 -36.530 32.884 1.00 0.00 WAT +ATOM 54338 OH2 TIP3 16010 8.250 -34.155 37.502 1.00 0.00 WAT +ATOM 54339 H1 TIP3 16010 7.598 -33.917 38.194 1.00 0.00 WAT +ATOM 54340 H2 TIP3 16010 8.874 -34.701 38.014 1.00 0.00 WAT +ATOM 54341 OH2 TIP3 16011 -0.322 -33.266 39.438 1.00 0.00 WAT +ATOM 54342 H1 TIP3 16011 -0.609 -33.718 38.626 1.00 0.00 WAT +ATOM 54343 H2 TIP3 16011 0.268 -33.914 39.847 1.00 0.00 WAT +ATOM 54344 OH2 TIP3 16012 0.669 -30.298 41.651 1.00 0.00 WAT +ATOM 54345 H1 TIP3 16012 0.977 -30.494 40.755 1.00 0.00 WAT +ATOM 54346 H2 TIP3 16012 1.497 -30.196 42.144 1.00 0.00 WAT +ATOM 54347 OH2 TIP3 16013 -0.010 -34.426 42.692 1.00 0.00 WAT +ATOM 54348 H1 TIP3 16013 0.627 -34.628 41.978 1.00 0.00 WAT +ATOM 54349 H2 TIP3 16013 0.591 -34.353 43.447 1.00 0.00 WAT +ATOM 54350 OH2 TIP3 16014 7.230 -34.716 34.951 1.00 0.00 WAT +ATOM 54351 H1 TIP3 16014 7.695 -34.427 35.765 1.00 0.00 WAT +ATOM 54352 H2 TIP3 16014 7.725 -34.200 34.266 1.00 0.00 WAT +ATOM 54353 OH2 TIP3 16015 4.619 -28.114 38.557 1.00 0.00 WAT +ATOM 54354 H1 TIP3 16015 5.200 -27.784 39.255 1.00 0.00 WAT +ATOM 54355 H2 TIP3 16015 4.195 -27.304 38.234 1.00 0.00 WAT +ATOM 54356 OH2 TIP3 16016 10.418 -43.218 34.155 1.00 0.00 WAT +ATOM 54357 H1 TIP3 16016 9.956 -43.233 35.008 1.00 0.00 WAT +ATOM 54358 H2 TIP3 16016 11.199 -42.700 34.398 1.00 0.00 WAT +ATOM 54359 OH2 TIP3 16017 -1.189 -34.586 36.832 1.00 0.00 WAT +ATOM 54360 H1 TIP3 16017 -1.397 -33.843 36.238 1.00 0.00 WAT +ATOM 54361 H2 TIP3 16017 -1.829 -35.253 36.554 1.00 0.00 WAT +ATOM 54362 OH2 TIP3 16018 12.049 -28.823 32.976 1.00 0.00 WAT +ATOM 54363 H1 TIP3 16018 12.197 -27.886 33.213 1.00 0.00 WAT +ATOM 54364 H2 TIP3 16018 12.916 -29.219 33.187 1.00 0.00 WAT +ATOM 54365 OH2 TIP3 16019 -4.902 -29.208 42.600 1.00 0.00 WAT +ATOM 54366 H1 TIP3 16019 -4.036 -28.815 42.438 1.00 0.00 WAT +ATOM 54367 H2 TIP3 16019 -5.423 -28.405 42.775 1.00 0.00 WAT +ATOM 54368 OH2 TIP3 16020 4.231 -25.390 36.987 1.00 0.00 WAT +ATOM 54369 H1 TIP3 16020 4.239 -25.262 36.022 1.00 0.00 WAT +ATOM 54370 H2 TIP3 16020 4.241 -24.479 37.323 1.00 0.00 WAT +ATOM 54371 OH2 TIP3 16021 -1.972 -26.254 38.647 1.00 0.00 WAT +ATOM 54372 H1 TIP3 16021 -1.825 -26.741 39.479 1.00 0.00 WAT +ATOM 54373 H2 TIP3 16021 -2.811 -26.630 38.346 1.00 0.00 WAT +ATOM 54374 OH2 TIP3 16022 7.520 -25.964 34.172 1.00 0.00 WAT +ATOM 54375 H1 TIP3 16022 8.099 -26.619 33.738 1.00 0.00 WAT +ATOM 54376 H2 TIP3 16022 7.462 -26.330 35.080 1.00 0.00 WAT +ATOM 54377 OH2 TIP3 16023 6.905 -26.556 36.942 1.00 0.00 WAT +ATOM 54378 H1 TIP3 16023 5.966 -26.374 37.123 1.00 0.00 WAT +ATOM 54379 H2 TIP3 16023 7.099 -27.198 37.650 1.00 0.00 WAT +ATOM 54380 OH2 TIP3 16024 0.002 -42.109 43.011 1.00 0.00 WAT +ATOM 54381 H1 TIP3 16024 -0.677 -42.219 42.336 1.00 0.00 WAT +ATOM 54382 H2 TIP3 16024 0.182 -41.153 43.015 1.00 0.00 WAT +ATOM 54383 OH2 TIP3 16025 8.774 -33.644 32.946 1.00 0.00 WAT +ATOM 54384 H1 TIP3 16025 8.579 -33.800 32.003 1.00 0.00 WAT +ATOM 54385 H2 TIP3 16025 9.706 -33.368 32.898 1.00 0.00 WAT +ATOM 54386 OH2 TIP3 16026 4.423 -39.929 33.408 1.00 0.00 WAT +ATOM 54387 H1 TIP3 16026 3.889 -40.036 34.221 1.00 0.00 WAT +ATOM 54388 H2 TIP3 16026 3.931 -40.544 32.821 1.00 0.00 WAT +ATOM 54389 OH2 TIP3 16027 0.059 -37.067 38.843 1.00 0.00 WAT +ATOM 54390 H1 TIP3 16027 -0.896 -37.160 38.666 1.00 0.00 WAT +ATOM 54391 H2 TIP3 16027 0.417 -37.280 37.957 1.00 0.00 WAT +ATOM 54392 OH2 TIP3 16028 5.662 -36.509 37.619 1.00 0.00 WAT +ATOM 54393 H1 TIP3 16028 5.248 -35.689 37.272 1.00 0.00 WAT +ATOM 54394 H2 TIP3 16028 6.332 -36.680 36.937 1.00 0.00 WAT +ATOM 54395 OH2 TIP3 16029 6.440 -37.097 40.418 1.00 0.00 WAT +ATOM 54396 H1 TIP3 16029 6.169 -36.534 39.665 1.00 0.00 WAT +ATOM 54397 H2 TIP3 16029 6.657 -37.918 39.930 1.00 0.00 WAT +ATOM 54398 OH2 TIP3 16030 0.852 -39.444 32.365 1.00 0.00 WAT +ATOM 54399 H1 TIP3 16030 0.531 -39.772 33.227 1.00 0.00 WAT +ATOM 54400 H2 TIP3 16030 0.038 -39.225 31.905 1.00 0.00 WAT +ATOM 54401 OH2 TIP3 16031 -5.509 -39.312 39.356 1.00 0.00 WAT +ATOM 54402 H1 TIP3 16031 -5.182 -39.584 40.232 1.00 0.00 WAT +ATOM 54403 H2 TIP3 16031 -5.236 -40.034 38.781 1.00 0.00 WAT +ATOM 54404 OH2 TIP3 16032 -4.162 -39.138 35.105 1.00 0.00 WAT +ATOM 54405 H1 TIP3 16032 -3.597 -38.602 34.516 1.00 0.00 WAT +ATOM 54406 H2 TIP3 16032 -4.857 -38.487 35.329 1.00 0.00 WAT +ATOM 54407 OH2 TIP3 16033 2.743 -39.404 39.827 1.00 0.00 WAT +ATOM 54408 H1 TIP3 16033 1.819 -39.593 40.056 1.00 0.00 WAT +ATOM 54409 H2 TIP3 16033 3.212 -39.749 40.604 1.00 0.00 WAT +ATOM 54410 OH2 TIP3 16034 -2.577 -38.231 38.488 1.00 0.00 WAT +ATOM 54411 H1 TIP3 16034 -3.456 -38.022 38.127 1.00 0.00 WAT +ATOM 54412 H2 TIP3 16034 -2.353 -39.076 38.053 1.00 0.00 WAT +ATOM 54413 OH2 TIP3 16035 0.999 -37.904 36.230 1.00 0.00 WAT +ATOM 54414 H1 TIP3 16035 1.971 -37.867 36.266 1.00 0.00 WAT +ATOM 54415 H2 TIP3 16035 0.772 -37.313 35.493 1.00 0.00 WAT +ATOM 54416 OH2 TIP3 16036 7.163 -40.706 42.677 1.00 0.00 WAT +ATOM 54417 H1 TIP3 16036 6.858 -40.472 43.569 1.00 0.00 WAT +ATOM 54418 H2 TIP3 16036 6.333 -40.758 42.178 1.00 0.00 WAT +ATOM 54419 OH2 TIP3 16037 -0.535 -36.707 33.971 1.00 0.00 WAT +ATOM 54420 H1 TIP3 16037 -1.112 -36.930 33.225 1.00 0.00 WAT +ATOM 54421 H2 TIP3 16037 0.287 -36.475 33.504 1.00 0.00 WAT +ATOM 54422 OH2 TIP3 16038 3.683 -37.070 41.933 1.00 0.00 WAT +ATOM 54423 H1 TIP3 16038 4.390 -37.386 41.349 1.00 0.00 WAT +ATOM 54424 H2 TIP3 16038 3.731 -37.720 42.649 1.00 0.00 WAT +ATOM 54425 OH2 TIP3 16039 -1.031 -40.670 37.882 1.00 0.00 WAT +ATOM 54426 H1 TIP3 16039 -1.481 -41.522 38.032 1.00 0.00 WAT +ATOM 54427 H2 TIP3 16039 -0.155 -40.958 37.584 1.00 0.00 WAT +ATOM 54428 OH2 TIP3 16040 2.920 -32.090 35.830 1.00 0.00 WAT +ATOM 54429 H1 TIP3 16040 2.165 -32.598 35.465 1.00 0.00 WAT +ATOM 54430 H2 TIP3 16040 2.728 -32.087 36.794 1.00 0.00 WAT +ATOM 54431 OH2 TIP3 16041 7.106 -39.293 33.415 1.00 0.00 WAT +ATOM 54432 H1 TIP3 16041 6.126 -39.384 33.464 1.00 0.00 WAT +ATOM 54433 H2 TIP3 16041 7.297 -38.631 34.110 1.00 0.00 WAT +ATOM 54434 OH2 TIP3 16042 7.756 -37.496 35.574 1.00 0.00 WAT +ATOM 54435 H1 TIP3 16042 8.615 -37.629 36.021 1.00 0.00 WAT +ATOM 54436 H2 TIP3 16042 7.852 -36.596 35.210 1.00 0.00 WAT +ATOM 54437 OH2 TIP3 16043 5.332 -30.734 34.754 1.00 0.00 WAT +ATOM 54438 H1 TIP3 16043 5.070 -29.862 35.116 1.00 0.00 WAT +ATOM 54439 H2 TIP3 16043 4.569 -31.277 35.023 1.00 0.00 WAT +ATOM 54440 OH2 TIP3 16044 12.381 -37.463 35.380 1.00 0.00 WAT +ATOM 54441 H1 TIP3 16044 11.808 -37.647 34.609 1.00 0.00 WAT +ATOM 54442 H2 TIP3 16044 12.494 -36.499 35.252 1.00 0.00 WAT +ATOM 54443 OH2 TIP3 16045 10.524 -28.846 35.448 1.00 0.00 WAT +ATOM 54444 H1 TIP3 16045 10.347 -29.597 36.034 1.00 0.00 WAT +ATOM 54445 H2 TIP3 16045 11.119 -29.215 34.781 1.00 0.00 WAT +ATOM 54446 OH2 TIP3 16046 7.646 -33.350 42.463 1.00 0.00 WAT +ATOM 54447 H1 TIP3 16046 6.771 -33.699 42.705 1.00 0.00 WAT +ATOM 54448 H2 TIP3 16046 8.058 -34.110 42.013 1.00 0.00 WAT +ATOM 54449 OH2 TIP3 16047 0.480 -29.415 38.820 1.00 0.00 WAT +ATOM 54450 H1 TIP3 16047 0.903 -28.545 38.723 1.00 0.00 WAT +ATOM 54451 H2 TIP3 16047 -0.438 -29.203 38.614 1.00 0.00 WAT +ATOM 54452 OH2 TIP3 16048 -3.552 -34.620 33.512 1.00 0.00 WAT +ATOM 54453 H1 TIP3 16048 -2.978 -33.937 33.905 1.00 0.00 WAT +ATOM 54454 H2 TIP3 16048 -4.426 -34.350 33.853 1.00 0.00 WAT +ATOM 54455 OH2 TIP3 16049 2.193 -31.806 38.576 1.00 0.00 WAT +ATOM 54456 H1 TIP3 16049 1.936 -30.871 38.628 1.00 0.00 WAT +ATOM 54457 H2 TIP3 16049 1.429 -32.239 38.986 1.00 0.00 WAT +ATOM 54458 OH2 TIP3 16050 0.892 -26.515 38.142 1.00 0.00 WAT +ATOM 54459 H1 TIP3 16050 -0.060 -26.333 38.191 1.00 0.00 WAT +ATOM 54460 H2 TIP3 16050 1.264 -25.645 38.391 1.00 0.00 WAT +ATOM 54461 OH2 TIP3 16051 8.017 -30.427 33.354 1.00 0.00 WAT +ATOM 54462 H1 TIP3 16051 8.449 -30.864 34.111 1.00 0.00 WAT +ATOM 54463 H2 TIP3 16051 7.091 -30.554 33.619 1.00 0.00 WAT +ATOM 54464 OH2 TIP3 16052 12.768 -26.161 33.888 1.00 0.00 WAT +ATOM 54465 H1 TIP3 16052 13.457 -25.508 33.677 1.00 0.00 WAT +ATOM 54466 H2 TIP3 16052 11.996 -25.566 33.917 1.00 0.00 WAT +ATOM 54467 OH2 TIP3 16053 8.982 -31.820 35.728 1.00 0.00 WAT +ATOM 54468 H1 TIP3 16053 8.721 -32.521 36.348 1.00 0.00 WAT +ATOM 54469 H2 TIP3 16053 9.949 -31.809 35.835 1.00 0.00 WAT +ATOM 54470 OH2 TIP3 16054 2.266 -29.358 31.938 1.00 0.00 WAT +ATOM 54471 H1 TIP3 16054 2.559 -30.144 31.444 1.00 0.00 WAT +ATOM 54472 H2 TIP3 16054 1.846 -29.762 32.716 1.00 0.00 WAT +ATOM 54473 OH2 TIP3 16055 1.108 -29.859 34.658 1.00 0.00 WAT +ATOM 54474 H1 TIP3 16055 1.640 -30.369 35.285 1.00 0.00 WAT +ATOM 54475 H2 TIP3 16055 1.253 -28.939 34.965 1.00 0.00 WAT +ATOM 54476 OH2 TIP3 16056 -2.047 -32.409 35.055 1.00 0.00 WAT +ATOM 54477 H1 TIP3 16056 -2.779 -32.014 35.567 1.00 0.00 WAT +ATOM 54478 H2 TIP3 16056 -1.583 -31.610 34.750 1.00 0.00 WAT +ATOM 54479 OH2 TIP3 16057 6.378 -40.573 36.302 1.00 0.00 WAT +ATOM 54480 H1 TIP3 16057 6.427 -39.956 35.558 1.00 0.00 WAT +ATOM 54481 H2 TIP3 16057 6.713 -40.030 37.034 1.00 0.00 WAT +ATOM 54482 OH2 TIP3 16058 4.039 -28.252 35.273 1.00 0.00 WAT +ATOM 54483 H1 TIP3 16058 3.246 -27.728 35.467 1.00 0.00 WAT +ATOM 54484 H2 TIP3 16058 4.431 -27.747 34.547 1.00 0.00 WAT +ATOM 54485 OH2 TIP3 16059 3.677 -38.501 37.303 1.00 0.00 WAT +ATOM 54486 H1 TIP3 16059 4.430 -37.894 37.459 1.00 0.00 WAT +ATOM 54487 H2 TIP3 16059 3.376 -38.690 38.214 1.00 0.00 WAT +ATOM 54488 OH2 TIP3 16060 4.301 -41.716 38.240 1.00 0.00 WAT +ATOM 54489 H1 TIP3 16060 4.113 -41.002 38.867 1.00 0.00 WAT +ATOM 54490 H2 TIP3 16060 4.952 -41.301 37.648 1.00 0.00 WAT +ATOM 54491 OH2 TIP3 16061 1.243 -27.153 35.279 1.00 0.00 WAT +ATOM 54492 H1 TIP3 16061 1.196 -26.345 34.723 1.00 0.00 WAT +ATOM 54493 H2 TIP3 16061 1.131 -26.786 36.175 1.00 0.00 WAT +ATOM 54494 OH2 TIP3 16062 -0.068 -40.511 34.779 1.00 0.00 WAT +ATOM 54495 H1 TIP3 16062 -0.063 -39.720 35.347 1.00 0.00 WAT +ATOM 54496 H2 TIP3 16062 0.796 -40.896 35.025 1.00 0.00 WAT +ATOM 54497 OH2 TIP3 16063 8.777 -35.720 41.373 1.00 0.00 WAT +ATOM 54498 H1 TIP3 16063 7.967 -36.177 41.088 1.00 0.00 WAT +ATOM 54499 H2 TIP3 16063 9.313 -36.471 41.717 1.00 0.00 WAT +ATOM 54500 OH2 TIP3 16064 -1.630 -29.617 33.819 1.00 0.00 WAT +ATOM 54501 H1 TIP3 16064 -0.901 -29.101 34.204 1.00 0.00 WAT +ATOM 54502 H2 TIP3 16064 -1.135 -30.095 33.135 1.00 0.00 WAT +ATOM 54503 OH2 TIP3 16065 -3.500 -37.420 32.889 1.00 0.00 WAT +ATOM 54504 H1 TIP3 16065 -3.336 -36.493 33.153 1.00 0.00 WAT +ATOM 54505 H2 TIP3 16065 -4.430 -37.381 32.649 1.00 0.00 WAT +ATOM 54506 OH2 TIP3 16066 10.148 -25.527 43.818 1.00 0.00 WAT +ATOM 54507 H1 TIP3 16066 9.955 -24.727 43.290 1.00 0.00 WAT +ATOM 54508 H2 TIP3 16066 10.602 -26.019 43.128 1.00 0.00 WAT +ATOM 54509 OH2 TIP3 16067 -3.298 -42.413 41.803 1.00 0.00 WAT +ATOM 54510 H1 TIP3 16067 -3.027 -42.419 40.877 1.00 0.00 WAT +ATOM 54511 H2 TIP3 16067 -3.004 -43.309 42.059 1.00 0.00 WAT +ATOM 54512 OH2 TIP3 16068 -3.680 -28.913 38.008 1.00 0.00 WAT +ATOM 54513 H1 TIP3 16068 -4.445 -28.361 38.217 1.00 0.00 WAT +ATOM 54514 H2 TIP3 16068 -3.263 -28.394 37.303 1.00 0.00 WAT +ATOM 54515 OH2 TIP3 16069 4.491 -27.661 32.435 1.00 0.00 WAT +ATOM 54516 H1 TIP3 16069 3.732 -28.275 32.339 1.00 0.00 WAT +ATOM 54517 H2 TIP3 16069 5.200 -28.202 32.052 1.00 0.00 WAT +ATOM 54518 OH2 TIP3 16070 9.111 -27.761 32.540 1.00 0.00 WAT +ATOM 54519 H1 TIP3 16070 9.282 -28.558 33.069 1.00 0.00 WAT +ATOM 54520 H2 TIP3 16070 9.907 -27.713 31.982 1.00 0.00 WAT +ATOM 54521 OH2 TIP3 16071 -0.096 -31.940 32.269 1.00 0.00 WAT +ATOM 54522 H1 TIP3 16071 0.085 -32.516 33.029 1.00 0.00 WAT +ATOM 54523 H2 TIP3 16071 0.770 -31.950 31.818 1.00 0.00 WAT +ATOM 54524 OH2 TIP3 16072 5.138 -30.610 31.888 1.00 0.00 WAT +ATOM 54525 H1 TIP3 16072 5.107 -30.644 32.860 1.00 0.00 WAT +ATOM 54526 H2 TIP3 16072 5.097 -31.567 31.680 1.00 0.00 WAT +ATOM 54527 OH2 TIP3 16073 1.003 -33.851 34.617 1.00 0.00 WAT +ATOM 54528 H1 TIP3 16073 0.400 -34.355 35.183 1.00 0.00 WAT +ATOM 54529 H2 TIP3 16073 1.296 -34.535 33.982 1.00 0.00 WAT +ATOM 54530 OH2 TIP3 16074 1.941 -35.840 32.861 1.00 0.00 WAT +ATOM 54531 H1 TIP3 16074 1.920 -35.738 31.891 1.00 0.00 WAT +ATOM 54532 H2 TIP3 16074 2.901 -35.878 33.030 1.00 0.00 WAT +ATOM 54533 OH2 TIP3 16075 11.467 -33.327 32.183 1.00 0.00 WAT +ATOM 54534 H1 TIP3 16075 11.348 -33.730 31.309 1.00 0.00 WAT +ATOM 54535 H2 TIP3 16075 11.360 -32.377 31.959 1.00 0.00 WAT +ATOM 54536 OH2 TIP3 16076 1.723 -24.627 33.957 1.00 0.00 WAT +ATOM 54537 H1 TIP3 16076 2.672 -24.480 34.079 1.00 0.00 WAT +ATOM 54538 H2 TIP3 16076 1.573 -24.142 33.135 1.00 0.00 WAT +ATOM 54539 OH2 TIP3 16077 -4.371 -30.224 33.546 1.00 0.00 WAT +ATOM 54540 H1 TIP3 16077 -3.418 -30.003 33.638 1.00 0.00 WAT +ATOM 54541 H2 TIP3 16077 -4.343 -30.971 32.916 1.00 0.00 WAT +ATOM 54542 OH2 TIP3 16078 -5.372 -25.013 38.234 1.00 0.00 WAT +ATOM 54543 H1 TIP3 16078 -6.090 -25.385 37.686 1.00 0.00 WAT +ATOM 54544 H2 TIP3 16078 -5.276 -25.698 38.925 1.00 0.00 WAT +ATOM 54545 OH2 TIP3 16079 -4.937 -27.009 40.182 1.00 0.00 WAT +ATOM 54546 H1 TIP3 16079 -5.348 -27.850 40.416 1.00 0.00 WAT +ATOM 54547 H2 TIP3 16079 -4.642 -26.729 41.068 1.00 0.00 WAT +ATOM 54548 OH2 TIP3 16080 12.732 -25.638 42.693 1.00 0.00 WAT +ATOM 54549 H1 TIP3 16080 12.504 -25.780 43.626 1.00 0.00 WAT +ATOM 54550 H2 TIP3 16080 13.696 -25.601 42.743 1.00 0.00 WAT +ATOM 54551 OH2 TIP3 16081 11.861 -31.951 36.128 1.00 0.00 WAT +ATOM 54552 H1 TIP3 16081 12.764 -31.622 36.299 1.00 0.00 WAT +ATOM 54553 H2 TIP3 16081 11.767 -32.580 36.865 1.00 0.00 WAT +ATOM 54554 OH2 TIP3 16082 12.352 -34.015 38.120 1.00 0.00 WAT +ATOM 54555 H1 TIP3 16082 11.649 -34.541 38.549 1.00 0.00 WAT +ATOM 54556 H2 TIP3 16082 13.005 -33.891 38.838 1.00 0.00 WAT +ATOM 54557 OH2 TIP3 16083 12.277 -31.679 43.361 1.00 0.00 WAT +ATOM 54558 H1 TIP3 16083 12.753 -32.181 42.695 1.00 0.00 WAT +ATOM 54559 H2 TIP3 16083 12.155 -30.817 42.941 1.00 0.00 WAT +ATOM 54560 OH2 TIP3 16084 12.575 -34.541 34.680 1.00 0.00 WAT +ATOM 54561 H1 TIP3 16084 12.061 -34.256 33.901 1.00 0.00 WAT +ATOM 54562 H2 TIP3 16084 12.434 -33.789 35.277 1.00 0.00 WAT +ATOM 54563 OH2 TIP3 16085 10.836 -36.985 32.943 1.00 0.00 WAT +ATOM 54564 H1 TIP3 16085 11.121 -36.378 32.243 1.00 0.00 WAT +ATOM 54565 H2 TIP3 16085 10.588 -37.783 32.442 1.00 0.00 WAT +ATOM 54566 OH2 TIP3 16086 10.234 -35.830 38.934 1.00 0.00 WAT +ATOM 54567 H1 TIP3 16086 10.167 -36.783 38.753 1.00 0.00 WAT +ATOM 54568 H2 TIP3 16086 9.865 -35.755 39.834 1.00 0.00 WAT +ATOM 54569 OH2 TIP3 16087 10.260 -39.700 32.109 1.00 0.00 WAT +ATOM 54570 H1 TIP3 16087 10.853 -40.125 32.753 1.00 0.00 WAT +ATOM 54571 H2 TIP3 16087 9.432 -40.182 32.230 1.00 0.00 WAT +ATOM 54572 OH2 TIP3 16088 10.082 -38.271 37.117 1.00 0.00 WAT +ATOM 54573 H1 TIP3 16088 10.251 -39.241 37.170 1.00 0.00 WAT +ATOM 54574 H2 TIP3 16088 10.905 -37.976 36.691 1.00 0.00 WAT +ATOM 54575 OH2 TIP3 16089 10.305 -37.757 42.192 1.00 0.00 WAT +ATOM 54576 H1 TIP3 16089 11.261 -37.726 42.355 1.00 0.00 WAT +ATOM 54577 H2 TIP3 16089 9.943 -37.847 43.091 1.00 0.00 WAT +ATOM 54578 OH2 TIP3 16090 10.391 -40.992 37.191 1.00 0.00 WAT +ATOM 54579 H1 TIP3 16090 10.567 -41.490 38.001 1.00 0.00 WAT +ATOM 54580 H2 TIP3 16090 9.759 -41.586 36.742 1.00 0.00 WAT +ATOM 54581 OH2 TIP3 16091 -4.152 -39.817 41.935 1.00 0.00 WAT +ATOM 54582 H1 TIP3 16091 -4.020 -40.791 41.988 1.00 0.00 WAT +ATOM 54583 H2 TIP3 16091 -3.488 -39.522 42.566 1.00 0.00 WAT +ATOM 54584 OH2 TIP3 16092 -5.815 -37.027 42.981 1.00 0.00 WAT +ATOM 54585 H1 TIP3 16092 -5.378 -37.485 42.245 1.00 0.00 WAT +ATOM 54586 H2 TIP3 16092 -5.332 -36.191 42.998 1.00 0.00 WAT +ATOM 54587 OH2 TIP3 16093 12.515 -40.572 33.806 1.00 0.00 WAT +ATOM 54588 H1 TIP3 16093 12.685 -41.424 33.351 1.00 0.00 WAT +ATOM 54589 H2 TIP3 16093 13.382 -40.146 33.801 1.00 0.00 WAT +ATOM 54590 OH2 TIP3 16094 -5.175 -41.103 36.854 1.00 0.00 WAT +ATOM 54591 H1 TIP3 16094 -6.133 -40.968 36.737 1.00 0.00 WAT +ATOM 54592 H2 TIP3 16094 -4.788 -40.357 36.352 1.00 0.00 WAT +ATOM 54593 OH2 TIP3 16095 9.405 -25.691 38.990 1.00 0.00 WAT +ATOM 54594 H1 TIP3 16095 9.954 -25.922 38.222 1.00 0.00 WAT +ATOM 54595 H2 TIP3 16095 10.052 -25.316 39.606 1.00 0.00 WAT +ATOM 54596 OH2 TIP3 16096 -3.348 -26.797 42.563 1.00 0.00 WAT +ATOM 54597 H1 TIP3 16096 -3.073 -26.582 43.483 1.00 0.00 WAT +ATOM 54598 H2 TIP3 16096 -2.470 -26.920 42.149 1.00 0.00 WAT +ATOM 54599 OH2 TIP3 16097 -1.213 -27.714 41.172 1.00 0.00 WAT +ATOM 54600 H1 TIP3 16097 -1.103 -28.667 41.311 1.00 0.00 WAT +ATOM 54601 H2 TIP3 16097 -0.333 -27.392 41.467 1.00 0.00 WAT +ATOM 54602 OH2 TIP3 16098 1.299 -27.073 42.128 1.00 0.00 WAT +ATOM 54603 H1 TIP3 16098 1.720 -27.900 41.860 1.00 0.00 WAT +ATOM 54604 H2 TIP3 16098 1.486 -27.071 43.074 1.00 0.00 WAT +ATOM 54605 OH2 TIP3 16099 4.693 -41.093 41.262 1.00 0.00 WAT +ATOM 54606 H1 TIP3 16099 4.082 -41.800 41.531 1.00 0.00 WAT +ATOM 54607 H2 TIP3 16099 5.370 -41.601 40.769 1.00 0.00 WAT +ATOM 54608 OH2 TIP3 16100 10.009 -43.500 41.481 1.00 0.00 WAT +ATOM 54609 H1 TIP3 16100 10.552 -42.789 41.119 1.00 0.00 WAT +ATOM 54610 H2 TIP3 16100 9.141 -43.109 41.625 1.00 0.00 WAT +ATOM 54611 OH2 TIP3 16101 12.020 -42.229 39.592 1.00 0.00 WAT +ATOM 54612 H1 TIP3 16101 12.496 -42.426 38.782 1.00 0.00 WAT +ATOM 54613 H2 TIP3 16101 12.119 -41.269 39.687 1.00 0.00 WAT +ATOM 54614 OH2 TIP3 16102 -2.916 -42.873 38.563 1.00 0.00 WAT +ATOM 54615 H1 TIP3 16102 -3.866 -43.034 38.514 1.00 0.00 WAT +ATOM 54616 H2 TIP3 16102 -2.587 -43.682 38.972 1.00 0.00 WAT +ATOM 54617 OH2 TIP3 16103 -4.379 -42.844 34.690 1.00 0.00 WAT +ATOM 54618 H1 TIP3 16103 -3.806 -42.290 34.134 1.00 0.00 WAT +ATOM 54619 H2 TIP3 16103 -4.731 -42.210 35.341 1.00 0.00 WAT +ATOM 54620 OH2 TIP3 16104 1.536 -42.353 38.891 1.00 0.00 WAT +ATOM 54621 H1 TIP3 16104 2.483 -42.321 38.679 1.00 0.00 WAT +ATOM 54622 H2 TIP3 16104 1.527 -42.875 39.704 1.00 0.00 WAT +ATOM 54623 OH2 TIP3 16105 6.867 -42.691 40.123 1.00 0.00 WAT +ATOM 54624 H1 TIP3 16105 7.514 -42.728 39.409 1.00 0.00 WAT +ATOM 54625 H2 TIP3 16105 7.111 -43.460 40.676 1.00 0.00 WAT +ATOM 54626 OH2 TIP3 16106 8.238 -42.722 36.183 1.00 0.00 WAT +ATOM 54627 H1 TIP3 16106 7.468 -42.136 36.040 1.00 0.00 WAT +ATOM 54628 H2 TIP3 16106 7.830 -43.595 36.253 1.00 0.00 WAT +ATOM 54629 OH2 TIP3 16107 -3.921 -26.967 35.957 1.00 0.00 WAT +ATOM 54630 H1 TIP3 16107 -4.538 -27.085 35.219 1.00 0.00 WAT +ATOM 54631 H2 TIP3 16107 -3.915 -26.001 36.017 1.00 0.00 WAT +ATOM 54632 OH2 TIP3 16108 -2.395 -41.096 33.147 1.00 0.00 WAT +ATOM 54633 H1 TIP3 16108 -1.690 -41.576 32.678 1.00 0.00 WAT +ATOM 54634 H2 TIP3 16108 -1.873 -40.642 33.834 1.00 0.00 WAT +ATOM 54635 OH2 TIP3 16109 2.787 -40.581 35.606 1.00 0.00 WAT +ATOM 54636 H1 TIP3 16109 2.900 -41.427 36.088 1.00 0.00 WAT +ATOM 54637 H2 TIP3 16109 2.999 -39.913 36.285 1.00 0.00 WAT +ATOM 54638 OH2 TIP3 16110 4.757 -25.138 34.059 1.00 0.00 WAT +ATOM 54639 H1 TIP3 16110 5.731 -25.114 34.013 1.00 0.00 WAT +ATOM 54640 H2 TIP3 16110 4.566 -25.789 33.365 1.00 0.00 WAT +ATOM 54641 OH2 TIP3 16111 11.278 -26.108 36.635 1.00 0.00 WAT +ATOM 54642 H1 TIP3 16111 11.027 -26.939 36.184 1.00 0.00 WAT +ATOM 54643 H2 TIP3 16111 11.215 -25.470 35.905 1.00 0.00 WAT +ATOM 54644 OH2 TIP3 16112 -2.508 -26.073 32.731 1.00 0.00 WAT +ATOM 54645 H1 TIP3 16112 -2.700 -25.725 33.614 1.00 0.00 WAT +ATOM 54646 H2 TIP3 16112 -1.680 -26.563 32.869 1.00 0.00 WAT +ATOM 54647 OH2 TIP3 16113 24.771 -33.779 38.921 1.00 0.00 WAT +ATOM 54648 H1 TIP3 16113 25.024 -32.924 39.321 1.00 0.00 WAT +ATOM 54649 H2 TIP3 16113 23.902 -33.534 38.582 1.00 0.00 WAT +ATOM 54650 OH2 TIP3 16114 23.830 -34.325 42.415 1.00 0.00 WAT +ATOM 54651 H1 TIP3 16114 23.793 -34.987 43.129 1.00 0.00 WAT +ATOM 54652 H2 TIP3 16114 23.615 -34.855 41.640 1.00 0.00 WAT +ATOM 54653 OH2 TIP3 16115 27.336 -31.546 40.348 1.00 0.00 WAT +ATOM 54654 H1 TIP3 16115 26.999 -32.217 40.967 1.00 0.00 WAT +ATOM 54655 H2 TIP3 16115 27.772 -30.996 41.036 1.00 0.00 WAT +ATOM 54656 OH2 TIP3 16116 16.977 -30.062 42.466 1.00 0.00 WAT +ATOM 54657 H1 TIP3 16116 16.704 -30.968 42.240 1.00 0.00 WAT +ATOM 54658 H2 TIP3 16116 17.935 -30.219 42.572 1.00 0.00 WAT +ATOM 54659 OH2 TIP3 16117 13.944 -36.591 37.790 1.00 0.00 WAT +ATOM 54660 H1 TIP3 16117 13.536 -35.712 37.879 1.00 0.00 WAT +ATOM 54661 H2 TIP3 16117 13.219 -37.096 37.401 1.00 0.00 WAT +ATOM 54662 OH2 TIP3 16118 14.695 -34.220 39.739 1.00 0.00 WAT +ATOM 54663 H1 TIP3 16118 14.912 -34.977 40.313 1.00 0.00 WAT +ATOM 54664 H2 TIP3 16118 15.525 -34.096 39.265 1.00 0.00 WAT +ATOM 54665 OH2 TIP3 16119 24.453 -26.144 41.106 1.00 0.00 WAT +ATOM 54666 H1 TIP3 16119 25.132 -26.790 40.849 1.00 0.00 WAT +ATOM 54667 H2 TIP3 16119 24.228 -26.423 42.007 1.00 0.00 WAT +ATOM 54668 OH2 TIP3 16120 21.897 -32.041 42.782 1.00 0.00 WAT +ATOM 54669 H1 TIP3 16120 22.369 -32.693 42.243 1.00 0.00 WAT +ATOM 54670 H2 TIP3 16120 22.680 -31.639 43.218 1.00 0.00 WAT +ATOM 54671 OH2 TIP3 16121 25.432 -37.202 43.105 1.00 0.00 WAT +ATOM 54672 H1 TIP3 16121 25.773 -38.060 43.421 1.00 0.00 WAT +ATOM 54673 H2 TIP3 16121 25.368 -37.320 42.148 1.00 0.00 WAT +ATOM 54674 OH2 TIP3 16122 18.513 -39.425 40.392 1.00 0.00 WAT +ATOM 54675 H1 TIP3 16122 18.654 -38.556 39.976 1.00 0.00 WAT +ATOM 54676 H2 TIP3 16122 18.166 -39.928 39.629 1.00 0.00 WAT +ATOM 54677 OH2 TIP3 16123 26.460 -39.023 38.715 1.00 0.00 WAT +ATOM 54678 H1 TIP3 16123 26.935 -39.572 39.382 1.00 0.00 WAT +ATOM 54679 H2 TIP3 16123 27.206 -38.793 38.126 1.00 0.00 WAT +ATOM 54680 OH2 TIP3 16124 15.549 -36.708 40.991 1.00 0.00 WAT +ATOM 54681 H1 TIP3 16124 15.847 -37.399 41.586 1.00 0.00 WAT +ATOM 54682 H2 TIP3 16124 15.482 -37.186 40.147 1.00 0.00 WAT +ATOM 54683 OH2 TIP3 16125 20.604 -35.305 40.507 1.00 0.00 WAT +ATOM 54684 H1 TIP3 16125 21.280 -35.910 40.859 1.00 0.00 WAT +ATOM 54685 H2 TIP3 16125 20.096 -35.899 39.924 1.00 0.00 WAT +ATOM 54686 OH2 TIP3 16126 24.839 -30.870 37.881 1.00 0.00 WAT +ATOM 54687 H1 TIP3 16126 24.542 -30.929 36.967 1.00 0.00 WAT +ATOM 54688 H2 TIP3 16126 24.468 -30.009 38.153 1.00 0.00 WAT +ATOM 54689 OH2 TIP3 16127 28.246 -40.085 40.713 1.00 0.00 WAT +ATOM 54690 H1 TIP3 16127 27.913 -40.664 41.417 1.00 0.00 WAT +ATOM 54691 H2 TIP3 16127 28.787 -39.489 41.264 1.00 0.00 WAT +ATOM 54692 OH2 TIP3 16128 17.741 -38.492 42.970 1.00 0.00 WAT +ATOM 54693 H1 TIP3 16128 17.541 -37.561 42.815 1.00 0.00 WAT +ATOM 54694 H2 TIP3 16128 17.675 -38.892 42.084 1.00 0.00 WAT +ATOM 54695 OH2 TIP3 16129 14.621 -31.122 36.267 1.00 0.00 WAT +ATOM 54696 H1 TIP3 16129 14.415 -30.621 35.458 1.00 0.00 WAT +ATOM 54697 H2 TIP3 16129 14.782 -30.416 36.930 1.00 0.00 WAT +ATOM 54698 OH2 TIP3 16130 28.272 -30.725 42.695 1.00 0.00 WAT +ATOM 54699 H1 TIP3 16130 27.700 -30.746 43.488 1.00 0.00 WAT +ATOM 54700 H2 TIP3 16130 29.006 -30.175 42.982 1.00 0.00 WAT +ATOM 54701 OH2 TIP3 16131 21.378 43.803 41.672 1.00 0.00 WAT +ATOM 54702 H1 TIP3 16131 21.500 42.883 41.939 1.00 0.00 WAT +ATOM 54703 H2 TIP3 16131 20.679 44.116 42.276 1.00 0.00 WAT +ATOM 54704 OH2 TIP3 16132 26.350 -27.719 39.540 1.00 0.00 WAT +ATOM 54705 H1 TIP3 16132 26.884 -28.498 39.303 1.00 0.00 WAT +ATOM 54706 H2 TIP3 16132 27.022 -27.009 39.484 1.00 0.00 WAT +ATOM 54707 OH2 TIP3 16133 27.889 -29.926 38.195 1.00 0.00 WAT +ATOM 54708 H1 TIP3 16133 27.240 -30.275 37.573 1.00 0.00 WAT +ATOM 54709 H2 TIP3 16133 27.746 -30.507 38.970 1.00 0.00 WAT +ATOM 54710 OH2 TIP3 16134 24.426 -35.966 33.935 1.00 0.00 WAT +ATOM 54711 H1 TIP3 16134 25.244 -35.712 33.490 1.00 0.00 WAT +ATOM 54712 H2 TIP3 16134 23.939 -36.354 33.186 1.00 0.00 WAT +ATOM 54713 OH2 TIP3 16135 26.834 -34.604 37.288 1.00 0.00 WAT +ATOM 54714 H1 TIP3 16135 26.473 -33.987 37.960 1.00 0.00 WAT +ATOM 54715 H2 TIP3 16135 27.683 -34.861 37.710 1.00 0.00 WAT +ATOM 54716 OH2 TIP3 16136 18.772 -33.319 39.237 1.00 0.00 WAT +ATOM 54717 H1 TIP3 16136 18.375 -33.760 38.462 1.00 0.00 WAT +ATOM 54718 H2 TIP3 16136 19.315 -34.022 39.626 1.00 0.00 WAT +ATOM 54719 OH2 TIP3 16137 19.714 -30.191 41.566 1.00 0.00 WAT +ATOM 54720 H1 TIP3 16137 19.984 -30.589 40.730 1.00 0.00 WAT +ATOM 54721 H2 TIP3 16137 20.528 -30.200 42.088 1.00 0.00 WAT +ATOM 54722 OH2 TIP3 16138 18.912 -34.554 42.685 1.00 0.00 WAT +ATOM 54723 H1 TIP3 16138 19.626 -34.589 42.026 1.00 0.00 WAT +ATOM 54724 H2 TIP3 16138 19.361 -34.219 43.470 1.00 0.00 WAT +ATOM 54725 OH2 TIP3 16139 23.507 -28.124 38.556 1.00 0.00 WAT +ATOM 54726 H1 TIP3 16139 24.031 -27.761 39.282 1.00 0.00 WAT +ATOM 54727 H2 TIP3 16139 23.049 -27.338 38.219 1.00 0.00 WAT +ATOM 54728 OH2 TIP3 16140 29.263 -43.188 34.155 1.00 0.00 WAT +ATOM 54729 H1 TIP3 16140 28.848 -43.246 35.028 1.00 0.00 WAT +ATOM 54730 H2 TIP3 16140 30.064 -42.696 34.381 1.00 0.00 WAT +ATOM 54731 OH2 TIP3 16141 17.662 -34.635 36.789 1.00 0.00 WAT +ATOM 54732 H1 TIP3 16141 17.432 -33.862 36.241 1.00 0.00 WAT +ATOM 54733 H2 TIP3 16141 16.971 -35.262 36.539 1.00 0.00 WAT +ATOM 54734 OH2 TIP3 16142 30.936 -28.682 33.124 1.00 0.00 WAT +ATOM 54735 H1 TIP3 16142 31.159 -27.729 33.145 1.00 0.00 WAT +ATOM 54736 H2 TIP3 16142 31.809 -29.094 33.262 1.00 0.00 WAT +ATOM 54737 OH2 TIP3 16143 13.848 -29.199 42.339 1.00 0.00 WAT +ATOM 54738 H1 TIP3 16143 14.808 -29.218 42.452 1.00 0.00 WAT +ATOM 54739 H2 TIP3 16143 13.591 -28.428 42.861 1.00 0.00 WAT +ATOM 54740 OH2 TIP3 16144 23.119 -25.390 36.993 1.00 0.00 WAT +ATOM 54741 H1 TIP3 16144 23.086 -25.265 36.028 1.00 0.00 WAT +ATOM 54742 H2 TIP3 16144 23.102 -24.477 37.326 1.00 0.00 WAT +ATOM 54743 OH2 TIP3 16145 16.893 -26.255 38.614 1.00 0.00 WAT +ATOM 54744 H1 TIP3 16145 17.028 -26.707 39.471 1.00 0.00 WAT +ATOM 54745 H2 TIP3 16145 16.038 -26.615 38.340 1.00 0.00 WAT +ATOM 54746 OH2 TIP3 16146 26.367 -25.952 34.158 1.00 0.00 WAT +ATOM 54747 H1 TIP3 16146 26.916 -26.621 33.711 1.00 0.00 WAT +ATOM 54748 H2 TIP3 16146 26.305 -26.328 35.061 1.00 0.00 WAT +ATOM 54749 OH2 TIP3 16147 25.769 -26.571 36.935 1.00 0.00 WAT +ATOM 54750 H1 TIP3 16147 24.831 -26.366 37.101 1.00 0.00 WAT +ATOM 54751 H2 TIP3 16147 25.943 -27.198 37.660 1.00 0.00 WAT +ATOM 54752 OH2 TIP3 16148 18.903 -42.125 42.971 1.00 0.00 WAT +ATOM 54753 H1 TIP3 16148 18.176 -42.219 42.345 1.00 0.00 WAT +ATOM 54754 H2 TIP3 16148 19.044 -41.165 43.032 1.00 0.00 WAT +ATOM 54755 OH2 TIP3 16149 23.434 -39.926 33.435 1.00 0.00 WAT +ATOM 54756 H1 TIP3 16149 22.884 -40.073 34.236 1.00 0.00 WAT +ATOM 54757 H2 TIP3 16149 22.931 -40.496 32.810 1.00 0.00 WAT +ATOM 54758 OH2 TIP3 16150 18.920 -37.054 38.841 1.00 0.00 WAT +ATOM 54759 H1 TIP3 16150 17.955 -37.120 38.704 1.00 0.00 WAT +ATOM 54760 H2 TIP3 16150 19.238 -37.273 37.946 1.00 0.00 WAT +ATOM 54761 OH2 TIP3 16151 25.074 -37.053 40.168 1.00 0.00 WAT +ATOM 54762 H1 TIP3 16151 25.219 -36.294 39.585 1.00 0.00 WAT +ATOM 54763 H2 TIP3 16151 25.515 -37.791 39.692 1.00 0.00 WAT +ATOM 54764 OH2 TIP3 16152 19.719 -39.418 32.386 1.00 0.00 WAT +ATOM 54765 H1 TIP3 16152 19.305 -39.807 33.177 1.00 0.00 WAT +ATOM 54766 H2 TIP3 16152 18.954 -39.204 31.834 1.00 0.00 WAT +ATOM 54767 OH2 TIP3 16153 13.185 -39.469 39.414 1.00 0.00 WAT +ATOM 54768 H1 TIP3 16153 13.702 -39.579 40.232 1.00 0.00 WAT +ATOM 54769 H2 TIP3 16153 13.675 -39.976 38.755 1.00 0.00 WAT +ATOM 54770 OH2 TIP3 16154 14.726 -39.107 35.141 1.00 0.00 WAT +ATOM 54771 H1 TIP3 16154 15.244 -38.601 34.484 1.00 0.00 WAT +ATOM 54772 H2 TIP3 16154 14.004 -38.474 35.320 1.00 0.00 WAT +ATOM 54773 OH2 TIP3 16155 21.644 -39.412 39.715 1.00 0.00 WAT +ATOM 54774 H1 TIP3 16155 20.709 -39.556 39.939 1.00 0.00 WAT +ATOM 54775 H2 TIP3 16155 22.078 -39.725 40.526 1.00 0.00 WAT +ATOM 54776 OH2 TIP3 16156 16.265 -38.246 38.501 1.00 0.00 WAT +ATOM 54777 H1 TIP3 16156 15.415 -37.970 38.107 1.00 0.00 WAT +ATOM 54778 H2 TIP3 16156 16.470 -39.076 38.032 1.00 0.00 WAT +ATOM 54779 OH2 TIP3 16157 19.979 -37.957 36.220 1.00 0.00 WAT +ATOM 54780 H1 TIP3 16157 20.895 -37.650 36.211 1.00 0.00 WAT +ATOM 54781 H2 TIP3 16157 19.561 -37.418 35.519 1.00 0.00 WAT +ATOM 54782 OH2 TIP3 16158 26.002 -40.702 42.674 1.00 0.00 WAT +ATOM 54783 H1 TIP3 16158 25.710 -40.452 43.568 1.00 0.00 WAT +ATOM 54784 H2 TIP3 16158 25.165 -40.782 42.191 1.00 0.00 WAT +ATOM 54785 OH2 TIP3 16159 18.395 -36.769 34.007 1.00 0.00 WAT +ATOM 54786 H1 TIP3 16159 17.759 -36.941 33.291 1.00 0.00 WAT +ATOM 54787 H2 TIP3 16159 19.181 -36.541 33.484 1.00 0.00 WAT +ATOM 54788 OH2 TIP3 16160 22.530 -37.060 41.900 1.00 0.00 WAT +ATOM 54789 H1 TIP3 16160 23.223 -37.415 41.321 1.00 0.00 WAT +ATOM 54790 H2 TIP3 16160 22.549 -37.692 42.635 1.00 0.00 WAT +ATOM 54791 OH2 TIP3 16161 17.827 -40.670 37.896 1.00 0.00 WAT +ATOM 54792 H1 TIP3 16161 17.339 -41.503 38.037 1.00 0.00 WAT +ATOM 54793 H2 TIP3 16161 18.667 -40.992 37.545 1.00 0.00 WAT +ATOM 54794 OH2 TIP3 16162 22.124 -32.522 35.946 1.00 0.00 WAT +ATOM 54795 H1 TIP3 16162 21.309 -32.766 35.463 1.00 0.00 WAT +ATOM 54796 H2 TIP3 16162 21.770 -32.247 36.817 1.00 0.00 WAT +ATOM 54797 OH2 TIP3 16163 26.008 -38.948 33.721 1.00 0.00 WAT +ATOM 54798 H1 TIP3 16163 25.047 -39.144 33.668 1.00 0.00 WAT +ATOM 54799 H2 TIP3 16163 26.092 -38.294 34.417 1.00 0.00 WAT +ATOM 54800 OH2 TIP3 16164 16.777 -32.990 41.745 1.00 0.00 WAT +ATOM 54801 H1 TIP3 16164 17.370 -32.858 40.992 1.00 0.00 WAT +ATOM 54802 H2 TIP3 16164 17.261 -33.685 42.230 1.00 0.00 WAT +ATOM 54803 OH2 TIP3 16165 24.210 -30.720 34.786 1.00 0.00 WAT +ATOM 54804 H1 TIP3 16165 23.875 -29.851 35.099 1.00 0.00 WAT +ATOM 54805 H2 TIP3 16165 23.484 -31.314 35.049 1.00 0.00 WAT +ATOM 54806 OH2 TIP3 16166 31.256 -37.433 35.444 1.00 0.00 WAT +ATOM 54807 H1 TIP3 16166 30.730 -37.761 34.704 1.00 0.00 WAT +ATOM 54808 H2 TIP3 16166 31.353 -36.484 35.226 1.00 0.00 WAT +ATOM 54809 OH2 TIP3 16167 29.200 -28.993 35.352 1.00 0.00 WAT +ATOM 54810 H1 TIP3 16167 29.335 -29.630 36.066 1.00 0.00 WAT +ATOM 54811 H2 TIP3 16167 29.970 -29.114 34.774 1.00 0.00 WAT +ATOM 54812 OH2 TIP3 16168 26.537 -33.357 42.356 1.00 0.00 WAT +ATOM 54813 H1 TIP3 16168 25.710 -33.685 42.744 1.00 0.00 WAT +ATOM 54814 H2 TIP3 16168 26.957 -34.165 42.017 1.00 0.00 WAT +ATOM 54815 OH2 TIP3 16169 19.336 -29.437 38.680 1.00 0.00 WAT +ATOM 54816 H1 TIP3 16169 19.712 -28.542 38.737 1.00 0.00 WAT +ATOM 54817 H2 TIP3 16169 18.390 -29.244 38.669 1.00 0.00 WAT +ATOM 54818 OH2 TIP3 16170 15.312 -34.638 33.532 1.00 0.00 WAT +ATOM 54819 H1 TIP3 16170 15.864 -33.926 33.903 1.00 0.00 WAT +ATOM 54820 H2 TIP3 16170 14.424 -34.363 33.830 1.00 0.00 WAT +ATOM 54821 OH2 TIP3 16171 21.124 -31.725 38.507 1.00 0.00 WAT +ATOM 54822 H1 TIP3 16171 20.804 -30.806 38.574 1.00 0.00 WAT +ATOM 54823 H2 TIP3 16171 20.357 -32.209 38.859 1.00 0.00 WAT +ATOM 54824 OH2 TIP3 16172 19.751 -26.515 38.130 1.00 0.00 WAT +ATOM 54825 H1 TIP3 16172 18.794 -26.357 38.193 1.00 0.00 WAT +ATOM 54826 H2 TIP3 16172 20.104 -25.638 38.381 1.00 0.00 WAT +ATOM 54827 OH2 TIP3 16173 26.869 -30.614 33.309 1.00 0.00 WAT +ATOM 54828 H1 TIP3 16173 27.324 -30.830 34.143 1.00 0.00 WAT +ATOM 54829 H2 TIP3 16173 25.954 -30.575 33.633 1.00 0.00 WAT +ATOM 54830 OH2 TIP3 16174 31.825 -25.989 33.589 1.00 0.00 WAT +ATOM 54831 H1 TIP3 16174 32.518 -25.303 33.555 1.00 0.00 WAT +ATOM 54832 H2 TIP3 16174 31.040 -25.414 33.624 1.00 0.00 WAT +ATOM 54833 OH2 TIP3 16175 27.827 -31.957 35.670 1.00 0.00 WAT +ATOM 54834 H1 TIP3 16175 27.629 -32.586 36.368 1.00 0.00 WAT +ATOM 54835 H2 TIP3 16175 28.774 -31.779 35.811 1.00 0.00 WAT +ATOM 54836 OH2 TIP3 16176 21.120 -29.364 31.957 1.00 0.00 WAT +ATOM 54837 H1 TIP3 16176 21.395 -30.122 31.413 1.00 0.00 WAT +ATOM 54838 H2 TIP3 16176 20.770 -29.810 32.748 1.00 0.00 WAT +ATOM 54839 OH2 TIP3 16177 20.253 -30.049 34.782 1.00 0.00 WAT +ATOM 54840 H1 TIP3 16177 20.383 -30.400 35.670 1.00 0.00 WAT +ATOM 54841 H2 TIP3 16177 20.242 -29.088 34.957 1.00 0.00 WAT +ATOM 54842 OH2 TIP3 16178 16.820 -32.403 35.066 1.00 0.00 WAT +ATOM 54843 H1 TIP3 16178 16.072 -32.029 35.575 1.00 0.00 WAT +ATOM 54844 H2 TIP3 16178 17.238 -31.584 34.744 1.00 0.00 WAT +ATOM 54845 OH2 TIP3 16179 25.152 -40.548 36.347 1.00 0.00 WAT +ATOM 54846 H1 TIP3 16179 25.394 -40.087 35.533 1.00 0.00 WAT +ATOM 54847 H2 TIP3 16179 25.684 -40.111 37.028 1.00 0.00 WAT +ATOM 54848 OH2 TIP3 16180 22.925 -28.246 35.282 1.00 0.00 WAT +ATOM 54849 H1 TIP3 16180 22.104 -27.761 35.465 1.00 0.00 WAT +ATOM 54850 H2 TIP3 16180 23.284 -27.740 34.538 1.00 0.00 WAT +ATOM 54851 OH2 TIP3 16181 22.972 -37.922 37.449 1.00 0.00 WAT +ATOM 54852 H1 TIP3 16181 23.743 -38.041 38.004 1.00 0.00 WAT +ATOM 54853 H2 TIP3 16181 22.325 -38.447 37.955 1.00 0.00 WAT +ATOM 54854 OH2 TIP3 16182 23.163 -41.729 38.287 1.00 0.00 WAT +ATOM 54855 H1 TIP3 16182 22.963 -40.993 38.884 1.00 0.00 WAT +ATOM 54856 H2 TIP3 16182 23.763 -41.324 37.635 1.00 0.00 WAT +ATOM 54857 OH2 TIP3 16183 20.078 -27.255 35.243 1.00 0.00 WAT +ATOM 54858 H1 TIP3 16183 20.030 -26.445 34.692 1.00 0.00 WAT +ATOM 54859 H2 TIP3 16183 19.949 -26.889 36.138 1.00 0.00 WAT +ATOM 54860 OH2 TIP3 16184 18.790 -40.531 34.795 1.00 0.00 WAT +ATOM 54861 H1 TIP3 16184 18.804 -39.717 35.325 1.00 0.00 WAT +ATOM 54862 H2 TIP3 16184 19.656 -40.917 35.007 1.00 0.00 WAT +ATOM 54863 OH2 TIP3 16185 27.631 -35.761 41.245 1.00 0.00 WAT +ATOM 54864 H1 TIP3 16185 26.798 -36.237 41.158 1.00 0.00 WAT +ATOM 54865 H2 TIP3 16185 28.199 -36.456 41.659 1.00 0.00 WAT +ATOM 54866 OH2 TIP3 16186 17.332 -29.666 33.878 1.00 0.00 WAT +ATOM 54867 H1 TIP3 16186 17.990 -29.018 34.176 1.00 0.00 WAT +ATOM 54868 H2 TIP3 16186 17.829 -30.113 33.174 1.00 0.00 WAT +ATOM 54869 OH2 TIP3 16187 15.367 -37.440 32.927 1.00 0.00 WAT +ATOM 54870 H1 TIP3 16187 15.488 -36.495 33.145 1.00 0.00 WAT +ATOM 54871 H2 TIP3 16187 14.496 -37.431 32.508 1.00 0.00 WAT +ATOM 54872 OH2 TIP3 16188 29.402 -24.810 43.804 1.00 0.00 WAT +ATOM 54873 H1 TIP3 16188 29.080 -24.336 43.008 1.00 0.00 WAT +ATOM 54874 H2 TIP3 16188 29.626 -25.649 43.387 1.00 0.00 WAT +ATOM 54875 OH2 TIP3 16189 15.546 -42.421 41.792 1.00 0.00 WAT +ATOM 54876 H1 TIP3 16189 15.830 -42.433 40.869 1.00 0.00 WAT +ATOM 54877 H2 TIP3 16189 15.847 -43.312 42.058 1.00 0.00 WAT +ATOM 54878 OH2 TIP3 16190 15.177 -28.925 37.973 1.00 0.00 WAT +ATOM 54879 H1 TIP3 16190 14.432 -28.385 38.272 1.00 0.00 WAT +ATOM 54880 H2 TIP3 16190 15.564 -28.360 37.286 1.00 0.00 WAT +ATOM 54881 OH2 TIP3 16191 23.355 -27.667 32.452 1.00 0.00 WAT +ATOM 54882 H1 TIP3 16191 22.597 -28.280 32.337 1.00 0.00 WAT +ATOM 54883 H2 TIP3 16191 24.062 -28.181 32.031 1.00 0.00 WAT +ATOM 54884 OH2 TIP3 16192 27.940 -27.813 32.521 1.00 0.00 WAT +ATOM 54885 H1 TIP3 16192 28.293 -28.520 33.086 1.00 0.00 WAT +ATOM 54886 H2 TIP3 16192 28.706 -27.610 31.951 1.00 0.00 WAT +ATOM 54887 OH2 TIP3 16193 18.767 -31.890 32.294 1.00 0.00 WAT +ATOM 54888 H1 TIP3 16193 18.938 -32.483 33.044 1.00 0.00 WAT +ATOM 54889 H2 TIP3 16193 19.610 -31.947 31.811 1.00 0.00 WAT +ATOM 54890 OH2 TIP3 16194 23.990 -30.582 31.883 1.00 0.00 WAT +ATOM 54891 H1 TIP3 16194 23.934 -30.622 32.852 1.00 0.00 WAT +ATOM 54892 H2 TIP3 16194 23.894 -31.530 31.662 1.00 0.00 WAT +ATOM 54893 OH2 TIP3 16195 19.870 -33.861 34.580 1.00 0.00 WAT +ATOM 54894 H1 TIP3 16195 19.210 -34.294 35.141 1.00 0.00 WAT +ATOM 54895 H2 TIP3 16195 20.095 -34.570 33.951 1.00 0.00 WAT +ATOM 54896 OH2 TIP3 16196 20.875 -35.882 32.877 1.00 0.00 WAT +ATOM 54897 H1 TIP3 16196 20.720 -35.845 31.914 1.00 0.00 WAT +ATOM 54898 H2 TIP3 16196 21.791 -35.599 32.926 1.00 0.00 WAT +ATOM 54899 OH2 TIP3 16197 29.909 -33.533 31.809 1.00 0.00 WAT +ATOM 54900 H1 TIP3 16197 30.619 -33.636 31.159 1.00 0.00 WAT +ATOM 54901 H2 TIP3 16197 29.956 -32.561 31.966 1.00 0.00 WAT +ATOM 54902 OH2 TIP3 16198 20.582 -24.648 33.954 1.00 0.00 WAT +ATOM 54903 H1 TIP3 16198 21.527 -24.484 34.086 1.00 0.00 WAT +ATOM 54904 H2 TIP3 16198 20.426 -24.141 33.147 1.00 0.00 WAT +ATOM 54905 OH2 TIP3 16199 14.499 -30.204 33.512 1.00 0.00 WAT +ATOM 54906 H1 TIP3 16199 15.454 -30.028 33.635 1.00 0.00 WAT +ATOM 54907 H2 TIP3 16199 14.507 -30.979 32.916 1.00 0.00 WAT +ATOM 54908 OH2 TIP3 16200 13.514 -25.031 38.220 1.00 0.00 WAT +ATOM 54909 H1 TIP3 16200 12.768 -25.382 37.696 1.00 0.00 WAT +ATOM 54910 H2 TIP3 16200 13.572 -25.692 38.939 1.00 0.00 WAT +ATOM 54911 OH2 TIP3 16201 13.909 -27.033 40.182 1.00 0.00 WAT +ATOM 54912 H1 TIP3 16201 13.599 -27.898 40.490 1.00 0.00 WAT +ATOM 54913 H2 TIP3 16201 14.138 -26.644 41.046 1.00 0.00 WAT +ATOM 54914 OH2 TIP3 16202 31.633 -25.981 42.677 1.00 0.00 WAT +ATOM 54915 H1 TIP3 16202 31.462 -25.907 43.635 1.00 0.00 WAT +ATOM 54916 H2 TIP3 16202 32.532 -25.629 42.647 1.00 0.00 WAT +ATOM 54917 OH2 TIP3 16203 30.703 -31.988 36.139 1.00 0.00 WAT +ATOM 54918 H1 TIP3 16203 31.589 -31.589 36.253 1.00 0.00 WAT +ATOM 54919 H2 TIP3 16203 30.688 -32.587 36.908 1.00 0.00 WAT +ATOM 54920 OH2 TIP3 16204 31.146 -34.014 38.133 1.00 0.00 WAT +ATOM 54921 H1 TIP3 16204 30.524 -34.603 38.589 1.00 0.00 WAT +ATOM 54922 H2 TIP3 16204 31.855 -33.889 38.801 1.00 0.00 WAT +ATOM 54923 OH2 TIP3 16205 31.004 -31.726 43.245 1.00 0.00 WAT +ATOM 54924 H1 TIP3 16205 31.706 -32.161 42.751 1.00 0.00 WAT +ATOM 54925 H2 TIP3 16205 31.100 -30.800 42.985 1.00 0.00 WAT +ATOM 54926 OH2 TIP3 16206 31.342 -34.560 34.646 1.00 0.00 WAT +ATOM 54927 H1 TIP3 16206 30.842 -34.168 33.917 1.00 0.00 WAT +ATOM 54928 H2 TIP3 16206 31.337 -33.826 35.286 1.00 0.00 WAT +ATOM 54929 OH2 TIP3 16207 29.226 -36.781 32.461 1.00 0.00 WAT +ATOM 54930 H1 TIP3 16207 30.068 -36.431 32.124 1.00 0.00 WAT +ATOM 54931 H2 TIP3 16207 29.385 -37.751 32.435 1.00 0.00 WAT +ATOM 54932 OH2 TIP3 16208 28.944 -35.926 38.789 1.00 0.00 WAT +ATOM 54933 H1 TIP3 16208 28.984 -36.893 38.785 1.00 0.00 WAT +ATOM 54934 H2 TIP3 16208 28.683 -35.745 39.714 1.00 0.00 WAT +ATOM 54935 OH2 TIP3 16209 13.969 -34.104 42.589 1.00 0.00 WAT +ATOM 54936 H1 TIP3 16209 14.315 -33.704 41.775 1.00 0.00 WAT +ATOM 54937 H2 TIP3 16209 14.730 -34.024 43.189 1.00 0.00 WAT +ATOM 54938 OH2 TIP3 16210 29.073 -39.607 32.231 1.00 0.00 WAT +ATOM 54939 H1 TIP3 16210 29.711 -40.158 32.719 1.00 0.00 WAT +ATOM 54940 H2 TIP3 16210 28.328 -40.216 32.104 1.00 0.00 WAT +ATOM 54941 OH2 TIP3 16211 28.441 -38.240 36.873 1.00 0.00 WAT +ATOM 54942 H1 TIP3 16211 28.813 -39.151 36.927 1.00 0.00 WAT +ATOM 54943 H2 TIP3 16211 29.219 -37.741 36.585 1.00 0.00 WAT +ATOM 54944 OH2 TIP3 16212 29.158 -37.726 42.185 1.00 0.00 WAT +ATOM 54945 H1 TIP3 16212 30.117 -37.732 42.341 1.00 0.00 WAT +ATOM 54946 H2 TIP3 16212 28.812 -37.859 43.087 1.00 0.00 WAT +ATOM 54947 OH2 TIP3 16213 29.196 -40.857 37.216 1.00 0.00 WAT +ATOM 54948 H1 TIP3 16213 29.509 -41.340 37.999 1.00 0.00 WAT +ATOM 54949 H2 TIP3 16213 28.689 -41.554 36.762 1.00 0.00 WAT +ATOM 54950 OH2 TIP3 16214 14.739 -39.815 41.881 1.00 0.00 WAT +ATOM 54951 H1 TIP3 16214 14.860 -40.788 41.966 1.00 0.00 WAT +ATOM 54952 H2 TIP3 16214 15.310 -39.511 42.594 1.00 0.00 WAT +ATOM 54953 OH2 TIP3 16215 13.088 -36.985 43.023 1.00 0.00 WAT +ATOM 54954 H1 TIP3 16215 13.511 -37.341 42.228 1.00 0.00 WAT +ATOM 54955 H2 TIP3 16215 13.358 -36.044 42.974 1.00 0.00 WAT +ATOM 54956 OH2 TIP3 16216 31.377 -40.540 33.770 1.00 0.00 WAT +ATOM 54957 H1 TIP3 16216 31.529 -41.413 33.349 1.00 0.00 WAT +ATOM 54958 H2 TIP3 16216 32.270 -40.169 33.817 1.00 0.00 WAT +ATOM 54959 OH2 TIP3 16217 13.691 -41.032 36.915 1.00 0.00 WAT +ATOM 54960 H1 TIP3 16217 12.742 -40.945 36.717 1.00 0.00 WAT +ATOM 54961 H2 TIP3 16217 14.088 -40.344 36.341 1.00 0.00 WAT +ATOM 54962 OH2 TIP3 16218 28.278 -25.732 38.974 1.00 0.00 WAT +ATOM 54963 H1 TIP3 16218 28.837 -25.944 38.210 1.00 0.00 WAT +ATOM 54964 H2 TIP3 16218 28.903 -25.309 39.583 1.00 0.00 WAT +ATOM 54965 OH2 TIP3 16219 15.306 -26.618 42.620 1.00 0.00 WAT +ATOM 54966 H1 TIP3 16219 15.650 -26.601 43.537 1.00 0.00 WAT +ATOM 54967 H2 TIP3 16219 16.139 -26.809 42.143 1.00 0.00 WAT +ATOM 54968 OH2 TIP3 16220 17.527 -27.521 41.153 1.00 0.00 WAT +ATOM 54969 H1 TIP3 16220 17.404 -28.451 41.433 1.00 0.00 WAT +ATOM 54970 H2 TIP3 16220 18.435 -27.340 41.469 1.00 0.00 WAT +ATOM 54971 OH2 TIP3 16221 20.200 -27.032 42.133 1.00 0.00 WAT +ATOM 54972 H1 TIP3 16221 20.517 -27.900 41.850 1.00 0.00 WAT +ATOM 54973 H2 TIP3 16221 20.325 -27.089 43.088 1.00 0.00 WAT +ATOM 54974 OH2 TIP3 16222 23.550 -41.083 41.253 1.00 0.00 WAT +ATOM 54975 H1 TIP3 16222 22.927 -41.775 41.539 1.00 0.00 WAT +ATOM 54976 H2 TIP3 16222 24.213 -41.614 40.765 1.00 0.00 WAT +ATOM 54977 OH2 TIP3 16223 28.888 -43.465 41.543 1.00 0.00 WAT +ATOM 54978 H1 TIP3 16223 29.409 -42.806 41.068 1.00 0.00 WAT +ATOM 54979 H2 TIP3 16223 27.998 -43.105 41.593 1.00 0.00 WAT +ATOM 54980 OH2 TIP3 16224 30.753 -42.178 39.521 1.00 0.00 WAT +ATOM 54981 H1 TIP3 16224 31.388 -42.458 38.857 1.00 0.00 WAT +ATOM 54982 H2 TIP3 16224 31.029 -41.261 39.705 1.00 0.00 WAT +ATOM 54983 OH2 TIP3 16225 15.934 -42.843 38.630 1.00 0.00 WAT +ATOM 54984 H1 TIP3 16225 15.008 -43.048 38.453 1.00 0.00 WAT +ATOM 54985 H2 TIP3 16225 16.274 -43.685 38.954 1.00 0.00 WAT +ATOM 54986 OH2 TIP3 16226 14.535 -42.904 34.882 1.00 0.00 WAT +ATOM 54987 H1 TIP3 16226 14.967 -42.413 34.159 1.00 0.00 WAT +ATOM 54988 H2 TIP3 16226 14.127 -42.181 35.389 1.00 0.00 WAT +ATOM 54989 OH2 TIP3 16227 20.432 -42.383 38.821 1.00 0.00 WAT +ATOM 54990 H1 TIP3 16227 21.398 -42.345 38.726 1.00 0.00 WAT +ATOM 54991 H2 TIP3 16227 20.328 -42.870 39.649 1.00 0.00 WAT +ATOM 54992 OH2 TIP3 16228 25.737 -42.682 40.114 1.00 0.00 WAT +ATOM 54993 H1 TIP3 16228 26.385 -42.758 39.404 1.00 0.00 WAT +ATOM 54994 H2 TIP3 16228 25.954 -43.447 40.684 1.00 0.00 WAT +ATOM 54995 OH2 TIP3 16229 27.074 -42.714 36.200 1.00 0.00 WAT +ATOM 54996 H1 TIP3 16229 26.262 -42.221 35.997 1.00 0.00 WAT +ATOM 54997 H2 TIP3 16229 26.755 -43.623 36.291 1.00 0.00 WAT +ATOM 54998 OH2 TIP3 16230 14.960 -26.969 35.920 1.00 0.00 WAT +ATOM 54999 H1 TIP3 16230 14.305 -27.075 35.214 1.00 0.00 WAT +ATOM 55000 H2 TIP3 16230 14.932 -26.008 36.033 1.00 0.00 WAT +ATOM 55001 OH2 TIP3 16231 16.428 -41.246 33.285 1.00 0.00 WAT +ATOM 55002 H1 TIP3 16231 17.138 -41.606 32.723 1.00 0.00 WAT +ATOM 55003 H2 TIP3 16231 16.949 -40.724 33.921 1.00 0.00 WAT +ATOM 55004 OH2 TIP3 16232 21.858 -40.502 35.662 1.00 0.00 WAT +ATOM 55005 H1 TIP3 16232 21.840 -41.406 36.043 1.00 0.00 WAT +ATOM 55006 H2 TIP3 16232 21.473 -39.955 36.352 1.00 0.00 WAT +ATOM 55007 OH2 TIP3 16233 23.617 -25.129 34.046 1.00 0.00 WAT +ATOM 55008 H1 TIP3 16233 24.592 -25.111 33.994 1.00 0.00 WAT +ATOM 55009 H2 TIP3 16233 23.421 -25.792 33.364 1.00 0.00 WAT +ATOM 55010 OH2 TIP3 16234 30.197 -26.112 36.509 1.00 0.00 WAT +ATOM 55011 H1 TIP3 16234 29.877 -26.910 36.057 1.00 0.00 WAT +ATOM 55012 H2 TIP3 16234 30.041 -25.433 35.823 1.00 0.00 WAT +ATOM 55013 OH2 TIP3 16235 16.367 -26.038 32.729 1.00 0.00 WAT +ATOM 55014 H1 TIP3 16235 16.136 -25.735 33.619 1.00 0.00 WAT +ATOM 55015 H2 TIP3 16235 17.175 -26.555 32.880 1.00 0.00 WAT +ATOM 55016 OH2 TIP3 16236 42.657 -34.434 42.114 1.00 0.00 WAT +ATOM 55017 H1 TIP3 16236 42.526 -34.904 42.952 1.00 0.00 WAT +ATOM 55018 H2 TIP3 16236 42.234 -35.015 41.467 1.00 0.00 WAT +ATOM 55019 OH2 TIP3 16237 35.837 -30.071 42.427 1.00 0.00 WAT +ATOM 55020 H1 TIP3 16237 35.577 -30.985 42.230 1.00 0.00 WAT +ATOM 55021 H2 TIP3 16237 36.799 -30.208 42.530 1.00 0.00 WAT +ATOM 55022 OH2 TIP3 16238 32.780 -36.650 37.787 1.00 0.00 WAT +ATOM 55023 H1 TIP3 16238 32.449 -35.744 37.898 1.00 0.00 WAT +ATOM 55024 H2 TIP3 16238 32.052 -37.075 37.315 1.00 0.00 WAT +ATOM 55025 OH2 TIP3 16239 33.524 -34.259 39.664 1.00 0.00 WAT +ATOM 55026 H1 TIP3 16239 33.757 -34.957 40.303 1.00 0.00 WAT +ATOM 55027 H2 TIP3 16239 34.393 -34.034 39.309 1.00 0.00 WAT +ATOM 55028 OH2 TIP3 16240 40.628 -32.268 42.822 1.00 0.00 WAT +ATOM 55029 H1 TIP3 16240 41.150 -32.719 42.142 1.00 0.00 WAT +ATOM 55030 H2 TIP3 16240 41.362 -31.792 43.267 1.00 0.00 WAT +ATOM 55031 OH2 TIP3 16241 37.339 -39.415 40.411 1.00 0.00 WAT +ATOM 55032 H1 TIP3 16241 37.543 -38.558 39.990 1.00 0.00 WAT +ATOM 55033 H2 TIP3 16241 37.018 -39.911 39.632 1.00 0.00 WAT +ATOM 55034 OH2 TIP3 16242 34.327 -36.739 41.004 1.00 0.00 WAT +ATOM 55035 H1 TIP3 16242 34.775 -37.366 41.575 1.00 0.00 WAT +ATOM 55036 H2 TIP3 16242 34.368 -37.192 40.144 1.00 0.00 WAT +ATOM 55037 OH2 TIP3 16243 39.436 -35.325 40.541 1.00 0.00 WAT +ATOM 55038 H1 TIP3 16243 40.161 -35.929 40.807 1.00 0.00 WAT +ATOM 55039 H2 TIP3 16243 38.953 -35.904 39.925 1.00 0.00 WAT +ATOM 55040 OH2 TIP3 16244 36.568 -38.520 42.971 1.00 0.00 WAT +ATOM 55041 H1 TIP3 16244 36.497 -37.572 42.809 1.00 0.00 WAT +ATOM 55042 H2 TIP3 16244 36.592 -38.905 42.074 1.00 0.00 WAT +ATOM 55043 OH2 TIP3 16245 33.413 -31.120 36.276 1.00 0.00 WAT +ATOM 55044 H1 TIP3 16245 33.302 -30.621 35.444 1.00 0.00 WAT +ATOM 55045 H2 TIP3 16245 33.622 -30.411 36.925 1.00 0.00 WAT +ATOM 55046 OH2 TIP3 16246 40.223 43.782 41.623 1.00 0.00 WAT +ATOM 55047 H1 TIP3 16246 40.414 42.881 41.926 1.00 0.00 WAT +ATOM 55048 H2 TIP3 16246 39.594 44.108 42.286 1.00 0.00 WAT +ATOM 55049 OH2 TIP3 16247 42.586 -34.313 36.303 1.00 0.00 WAT +ATOM 55050 H1 TIP3 16247 41.972 -33.572 36.143 1.00 0.00 WAT +ATOM 55051 H2 TIP3 16247 43.329 -34.077 35.745 1.00 0.00 WAT +ATOM 55052 OH2 TIP3 16248 42.880 -35.809 33.482 1.00 0.00 WAT +ATOM 55053 H1 TIP3 16248 43.652 -35.838 34.069 1.00 0.00 WAT +ATOM 55054 H2 TIP3 16248 42.976 -36.603 32.948 1.00 0.00 WAT +ATOM 55055 OH2 TIP3 16249 37.573 -33.366 39.279 1.00 0.00 WAT +ATOM 55056 H1 TIP3 16249 37.248 -33.801 38.467 1.00 0.00 WAT +ATOM 55057 H2 TIP3 16249 38.205 -34.015 39.625 1.00 0.00 WAT +ATOM 55058 OH2 TIP3 16250 38.559 -30.254 41.574 1.00 0.00 WAT +ATOM 55059 H1 TIP3 16250 38.889 -30.600 40.735 1.00 0.00 WAT +ATOM 55060 H2 TIP3 16250 39.364 -30.154 42.106 1.00 0.00 WAT +ATOM 55061 OH2 TIP3 16251 37.876 -34.719 42.796 1.00 0.00 WAT +ATOM 55062 H1 TIP3 16251 38.490 -34.610 42.047 1.00 0.00 WAT +ATOM 55063 H2 TIP3 16251 38.122 -33.995 43.390 1.00 0.00 WAT +ATOM 55064 OH2 TIP3 16252 42.527 -28.134 38.453 1.00 0.00 WAT +ATOM 55065 H1 TIP3 16252 43.003 -27.642 39.144 1.00 0.00 WAT +ATOM 55066 H2 TIP3 16252 42.012 -27.433 38.032 1.00 0.00 WAT +ATOM 55067 OH2 TIP3 16253 36.506 -34.630 36.807 1.00 0.00 WAT +ATOM 55068 H1 TIP3 16253 36.316 -33.864 36.237 1.00 0.00 WAT +ATOM 55069 H2 TIP3 16253 35.838 -35.264 36.517 1.00 0.00 WAT +ATOM 55070 OH2 TIP3 16254 32.687 -29.199 42.372 1.00 0.00 WAT +ATOM 55071 H1 TIP3 16254 33.652 -29.196 42.461 1.00 0.00 WAT +ATOM 55072 H2 TIP3 16254 32.447 -28.364 42.800 1.00 0.00 WAT +ATOM 55073 OH2 TIP3 16255 41.882 -25.389 36.986 1.00 0.00 WAT +ATOM 55074 H1 TIP3 16255 42.034 -25.323 36.032 1.00 0.00 WAT +ATOM 55075 H2 TIP3 16255 42.050 -24.495 37.310 1.00 0.00 WAT +ATOM 55076 OH2 TIP3 16256 35.736 -26.279 38.602 1.00 0.00 WAT +ATOM 55077 H1 TIP3 16256 35.904 -26.708 39.466 1.00 0.00 WAT +ATOM 55078 H2 TIP3 16256 34.850 -26.607 38.400 1.00 0.00 WAT +ATOM 55079 OH2 TIP3 16257 37.671 -42.100 43.044 1.00 0.00 WAT +ATOM 55080 H1 TIP3 16257 37.051 -42.181 42.313 1.00 0.00 WAT +ATOM 55081 H2 TIP3 16257 37.918 -41.157 43.048 1.00 0.00 WAT +ATOM 55082 OH2 TIP3 16258 42.262 -39.897 33.485 1.00 0.00 WAT +ATOM 55083 H1 TIP3 16258 41.604 -40.034 34.188 1.00 0.00 WAT +ATOM 55084 H2 TIP3 16258 41.910 -40.518 32.818 1.00 0.00 WAT +ATOM 55085 OH2 TIP3 16259 37.771 -37.074 38.848 1.00 0.00 WAT +ATOM 55086 H1 TIP3 16259 36.814 -37.130 38.678 1.00 0.00 WAT +ATOM 55087 H2 TIP3 16259 38.119 -37.251 37.951 1.00 0.00 WAT +ATOM 55088 OH2 TIP3 16260 42.740 -36.681 38.135 1.00 0.00 WAT +ATOM 55089 H1 TIP3 16260 42.696 -35.777 37.768 1.00 0.00 WAT +ATOM 55090 H2 TIP3 16260 43.289 -37.149 37.508 1.00 0.00 WAT +ATOM 55091 OH2 TIP3 16261 38.598 -39.349 32.381 1.00 0.00 WAT +ATOM 55092 H1 TIP3 16261 38.214 -39.785 33.161 1.00 0.00 WAT +ATOM 55093 H2 TIP3 16261 37.846 -39.261 31.783 1.00 0.00 WAT +ATOM 55094 OH2 TIP3 16262 31.968 -39.582 39.446 1.00 0.00 WAT +ATOM 55095 H1 TIP3 16262 32.544 -39.549 40.233 1.00 0.00 WAT +ATOM 55096 H2 TIP3 16262 32.550 -39.924 38.758 1.00 0.00 WAT +ATOM 55097 OH2 TIP3 16263 33.566 -39.126 35.148 1.00 0.00 WAT +ATOM 55098 H1 TIP3 16263 34.111 -38.628 34.501 1.00 0.00 WAT +ATOM 55099 H2 TIP3 16263 32.885 -38.459 35.347 1.00 0.00 WAT +ATOM 55100 OH2 TIP3 16264 40.443 -39.607 39.823 1.00 0.00 WAT +ATOM 55101 H1 TIP3 16264 39.523 -39.627 40.127 1.00 0.00 WAT +ATOM 55102 H2 TIP3 16264 40.927 -39.685 40.660 1.00 0.00 WAT +ATOM 55103 OH2 TIP3 16265 35.074 -38.271 38.542 1.00 0.00 WAT +ATOM 55104 H1 TIP3 16265 34.269 -37.973 38.079 1.00 0.00 WAT +ATOM 55105 H2 TIP3 16265 35.348 -39.067 38.048 1.00 0.00 WAT +ATOM 55106 OH2 TIP3 16266 38.667 -37.899 36.223 1.00 0.00 WAT +ATOM 55107 H1 TIP3 16266 39.638 -37.876 36.257 1.00 0.00 WAT +ATOM 55108 H2 TIP3 16266 38.448 -37.309 35.481 1.00 0.00 WAT +ATOM 55109 OH2 TIP3 16267 37.215 -36.694 33.964 1.00 0.00 WAT +ATOM 55110 H1 TIP3 16267 36.630 -36.959 33.238 1.00 0.00 WAT +ATOM 55111 H2 TIP3 16267 38.040 -36.521 33.481 1.00 0.00 WAT +ATOM 55112 OH2 TIP3 16268 41.309 -37.130 41.520 1.00 0.00 WAT +ATOM 55113 H1 TIP3 16268 41.964 -37.571 40.956 1.00 0.00 WAT +ATOM 55114 H2 TIP3 16268 41.498 -37.526 42.387 1.00 0.00 WAT +ATOM 55115 OH2 TIP3 16269 36.679 -40.656 37.917 1.00 0.00 WAT +ATOM 55116 H1 TIP3 16269 36.241 -41.518 38.034 1.00 0.00 WAT +ATOM 55117 H2 TIP3 16269 37.517 -40.908 37.504 1.00 0.00 WAT +ATOM 55118 OH2 TIP3 16270 40.728 -32.241 35.864 1.00 0.00 WAT +ATOM 55119 H1 TIP3 16270 39.942 -32.690 35.490 1.00 0.00 WAT +ATOM 55120 H2 TIP3 16270 40.496 -32.148 36.814 1.00 0.00 WAT +ATOM 55121 OH2 TIP3 16271 35.601 -33.069 41.696 1.00 0.00 WAT +ATOM 55122 H1 TIP3 16271 36.251 -32.875 41.002 1.00 0.00 WAT +ATOM 55123 H2 TIP3 16271 36.095 -33.702 42.242 1.00 0.00 WAT +ATOM 55124 OH2 TIP3 16272 42.872 -30.813 34.820 1.00 0.00 WAT +ATOM 55125 H1 TIP3 16272 42.590 -29.921 35.111 1.00 0.00 WAT +ATOM 55126 H2 TIP3 16272 42.115 -31.347 35.141 1.00 0.00 WAT +ATOM 55127 OH2 TIP3 16273 38.162 -29.440 38.696 1.00 0.00 WAT +ATOM 55128 H1 TIP3 16273 38.572 -28.562 38.748 1.00 0.00 WAT +ATOM 55129 H2 TIP3 16273 37.225 -29.212 38.663 1.00 0.00 WAT +ATOM 55130 OH2 TIP3 16274 34.171 -34.628 33.522 1.00 0.00 WAT +ATOM 55131 H1 TIP3 16274 34.788 -33.971 33.897 1.00 0.00 WAT +ATOM 55132 H2 TIP3 16274 33.320 -34.261 33.815 1.00 0.00 WAT +ATOM 55133 OH2 TIP3 16275 39.939 -31.744 38.556 1.00 0.00 WAT +ATOM 55134 H1 TIP3 16275 39.660 -30.814 38.594 1.00 0.00 WAT +ATOM 55135 H2 TIP3 16275 39.160 -32.196 38.916 1.00 0.00 WAT +ATOM 55136 OH2 TIP3 16276 38.607 -26.504 38.118 1.00 0.00 WAT +ATOM 55137 H1 TIP3 16276 37.651 -26.355 38.199 1.00 0.00 WAT +ATOM 55138 H2 TIP3 16276 38.965 -25.632 38.376 1.00 0.00 WAT +ATOM 55139 OH2 TIP3 16277 39.947 -29.328 31.947 1.00 0.00 WAT +ATOM 55140 H1 TIP3 16277 40.282 -30.094 31.442 1.00 0.00 WAT +ATOM 55141 H2 TIP3 16277 39.580 -29.769 32.733 1.00 0.00 WAT +ATOM 55142 OH2 TIP3 16278 38.872 -29.905 34.685 1.00 0.00 WAT +ATOM 55143 H1 TIP3 16278 39.339 -30.383 35.383 1.00 0.00 WAT +ATOM 55144 H2 TIP3 16278 38.971 -28.976 34.979 1.00 0.00 WAT +ATOM 55145 OH2 TIP3 16279 35.647 -32.416 35.048 1.00 0.00 WAT +ATOM 55146 H1 TIP3 16279 34.929 -32.007 35.569 1.00 0.00 WAT +ATOM 55147 H2 TIP3 16279 36.125 -31.623 34.747 1.00 0.00 WAT +ATOM 55148 OH2 TIP3 16280 41.684 -28.248 35.199 1.00 0.00 WAT +ATOM 55149 H1 TIP3 16280 40.891 -27.742 35.449 1.00 0.00 WAT +ATOM 55150 H2 TIP3 16280 42.096 -27.656 34.563 1.00 0.00 WAT +ATOM 55151 OH2 TIP3 16281 41.232 -38.738 37.307 1.00 0.00 WAT +ATOM 55152 H1 TIP3 16281 41.799 -37.992 37.594 1.00 0.00 WAT +ATOM 55153 H2 TIP3 16281 40.888 -38.988 38.191 1.00 0.00 WAT +ATOM 55154 OH2 TIP3 16282 41.935 -41.686 38.479 1.00 0.00 WAT +ATOM 55155 H1 TIP3 16282 41.746 -40.843 38.936 1.00 0.00 WAT +ATOM 55156 H2 TIP3 16282 42.706 -41.462 37.928 1.00 0.00 WAT +ATOM 55157 OH2 TIP3 16283 38.932 -27.177 35.273 1.00 0.00 WAT +ATOM 55158 H1 TIP3 16283 38.903 -26.359 34.733 1.00 0.00 WAT +ATOM 55159 H2 TIP3 16283 38.807 -26.826 36.175 1.00 0.00 WAT +ATOM 55160 OH2 TIP3 16284 37.655 -40.511 34.809 1.00 0.00 WAT +ATOM 55161 H1 TIP3 16284 37.678 -39.675 35.307 1.00 0.00 WAT +ATOM 55162 H2 TIP3 16284 38.553 -40.848 34.997 1.00 0.00 WAT +ATOM 55163 OH2 TIP3 16285 36.103 -29.621 33.818 1.00 0.00 WAT +ATOM 55164 H1 TIP3 16285 36.812 -29.089 34.216 1.00 0.00 WAT +ATOM 55165 H2 TIP3 16285 36.616 -30.108 33.155 1.00 0.00 WAT +ATOM 55166 OH2 TIP3 16286 34.225 -37.469 33.012 1.00 0.00 WAT +ATOM 55167 H1 TIP3 16286 34.381 -36.518 33.176 1.00 0.00 WAT +ATOM 55168 H2 TIP3 16286 33.466 -37.453 32.414 1.00 0.00 WAT +ATOM 55169 OH2 TIP3 16287 34.381 -42.448 41.784 1.00 0.00 WAT +ATOM 55170 H1 TIP3 16287 34.702 -42.433 40.873 1.00 0.00 WAT +ATOM 55171 H2 TIP3 16287 34.719 -43.324 42.057 1.00 0.00 WAT +ATOM 55172 OH2 TIP3 16288 33.998 -28.919 37.920 1.00 0.00 WAT +ATOM 55173 H1 TIP3 16288 33.272 -28.346 38.202 1.00 0.00 WAT +ATOM 55174 H2 TIP3 16288 34.451 -28.360 37.275 1.00 0.00 WAT +ATOM 55175 OH2 TIP3 16289 42.313 -27.684 32.245 1.00 0.00 WAT +ATOM 55176 H1 TIP3 16289 41.472 -28.185 32.270 1.00 0.00 WAT +ATOM 55177 H2 TIP3 16289 42.928 -28.425 32.105 1.00 0.00 WAT +ATOM 55178 OH2 TIP3 16290 37.620 -31.940 32.268 1.00 0.00 WAT +ATOM 55179 H1 TIP3 16290 37.814 -32.514 33.027 1.00 0.00 WAT +ATOM 55180 H2 TIP3 16290 38.480 -31.944 31.808 1.00 0.00 WAT +ATOM 55181 OH2 TIP3 16291 42.626 -30.607 31.830 1.00 0.00 WAT +ATOM 55182 H1 TIP3 16291 42.757 -30.504 32.789 1.00 0.00 WAT +ATOM 55183 H2 TIP3 16291 42.438 -31.559 31.770 1.00 0.00 WAT +ATOM 55184 OH2 TIP3 16292 38.693 -33.859 34.582 1.00 0.00 WAT +ATOM 55185 H1 TIP3 16292 38.098 -34.375 35.144 1.00 0.00 WAT +ATOM 55186 H2 TIP3 16292 39.031 -34.545 33.973 1.00 0.00 WAT +ATOM 55187 OH2 TIP3 16293 39.782 -35.847 32.899 1.00 0.00 WAT +ATOM 55188 H1 TIP3 16293 39.705 -35.778 31.929 1.00 0.00 WAT +ATOM 55189 H2 TIP3 16293 40.740 -35.741 33.020 1.00 0.00 WAT +ATOM 55190 OH2 TIP3 16294 39.573 -24.633 33.996 1.00 0.00 WAT +ATOM 55191 H1 TIP3 16294 40.532 -24.534 34.040 1.00 0.00 WAT +ATOM 55192 H2 TIP3 16294 39.376 -24.138 33.188 1.00 0.00 WAT +ATOM 55193 OH2 TIP3 16295 33.328 -30.238 33.592 1.00 0.00 WAT +ATOM 55194 H1 TIP3 16295 34.275 -29.985 33.631 1.00 0.00 WAT +ATOM 55195 H2 TIP3 16295 33.336 -30.926 32.899 1.00 0.00 WAT +ATOM 55196 OH2 TIP3 16296 32.359 -25.014 38.253 1.00 0.00 WAT +ATOM 55197 H1 TIP3 16296 31.666 -25.379 37.671 1.00 0.00 WAT +ATOM 55198 H2 TIP3 16296 32.427 -25.703 38.943 1.00 0.00 WAT +ATOM 55199 OH2 TIP3 16297 32.782 -27.051 40.164 1.00 0.00 WAT +ATOM 55200 H1 TIP3 16297 32.460 -27.909 40.475 1.00 0.00 WAT +ATOM 55201 H2 TIP3 16297 32.987 -26.659 41.033 1.00 0.00 WAT +ATOM 55202 OH2 TIP3 16298 32.828 -34.103 42.595 1.00 0.00 WAT +ATOM 55203 H1 TIP3 16298 33.195 -33.689 41.799 1.00 0.00 WAT +ATOM 55204 H2 TIP3 16298 33.581 -34.051 43.210 1.00 0.00 WAT +ATOM 55205 OH2 TIP3 16299 33.574 -39.827 41.879 1.00 0.00 WAT +ATOM 55206 H1 TIP3 16299 33.721 -40.795 41.974 1.00 0.00 WAT +ATOM 55207 H2 TIP3 16299 34.175 -39.494 42.555 1.00 0.00 WAT +ATOM 55208 OH2 TIP3 16300 31.931 -36.980 43.013 1.00 0.00 WAT +ATOM 55209 H1 TIP3 16300 32.412 -37.341 42.251 1.00 0.00 WAT +ATOM 55210 H2 TIP3 16300 32.218 -36.045 42.981 1.00 0.00 WAT +ATOM 55211 OH2 TIP3 16301 32.551 -41.051 36.878 1.00 0.00 WAT +ATOM 55212 H1 TIP3 16301 31.603 -40.891 36.738 1.00 0.00 WAT +ATOM 55213 H2 TIP3 16301 32.967 -40.343 36.342 1.00 0.00 WAT +ATOM 55214 OH2 TIP3 16302 34.271 -26.649 42.593 1.00 0.00 WAT +ATOM 55215 H1 TIP3 16302 34.557 -26.619 43.529 1.00 0.00 WAT +ATOM 55216 H2 TIP3 16302 35.126 -26.837 42.159 1.00 0.00 WAT +ATOM 55217 OH2 TIP3 16303 36.428 -27.538 41.107 1.00 0.00 WAT +ATOM 55218 H1 TIP3 16303 36.273 -28.454 41.415 1.00 0.00 WAT +ATOM 55219 H2 TIP3 16303 37.319 -27.353 41.465 1.00 0.00 WAT +ATOM 55220 OH2 TIP3 16304 39.073 -27.010 42.133 1.00 0.00 WAT +ATOM 55221 H1 TIP3 16304 39.399 -27.875 41.854 1.00 0.00 WAT +ATOM 55222 H2 TIP3 16304 39.175 -27.070 43.091 1.00 0.00 WAT +ATOM 55223 OH2 TIP3 16305 42.535 -41.291 41.321 1.00 0.00 WAT +ATOM 55224 H1 TIP3 16305 41.840 -41.918 41.566 1.00 0.00 WAT +ATOM 55225 H2 TIP3 16305 43.012 -41.784 40.648 1.00 0.00 WAT +ATOM 55226 OH2 TIP3 16306 34.768 -42.844 38.638 1.00 0.00 WAT +ATOM 55227 H1 TIP3 16306 33.861 -43.110 38.447 1.00 0.00 WAT +ATOM 55228 H2 TIP3 16306 35.167 -43.663 38.952 1.00 0.00 WAT +ATOM 55229 OH2 TIP3 16307 33.341 -42.900 34.858 1.00 0.00 WAT +ATOM 55230 H1 TIP3 16307 33.833 -42.429 34.159 1.00 0.00 WAT +ATOM 55231 H2 TIP3 16307 33.025 -42.162 35.408 1.00 0.00 WAT +ATOM 55232 OH2 TIP3 16308 39.343 -42.563 38.743 1.00 0.00 WAT +ATOM 55233 H1 TIP3 16308 40.272 -42.260 38.722 1.00 0.00 WAT +ATOM 55234 H2 TIP3 16308 39.275 -42.868 39.659 1.00 0.00 WAT +ATOM 55235 OH2 TIP3 16309 33.572 -26.959 35.770 1.00 0.00 WAT +ATOM 55236 H1 TIP3 16309 32.969 -26.956 35.009 1.00 0.00 WAT +ATOM 55237 H2 TIP3 16309 33.651 -26.006 35.917 1.00 0.00 WAT +ATOM 55238 OH2 TIP3 16310 35.280 -41.264 33.316 1.00 0.00 WAT +ATOM 55239 H1 TIP3 16310 35.978 -41.621 32.737 1.00 0.00 WAT +ATOM 55240 H2 TIP3 16310 35.820 -40.740 33.938 1.00 0.00 WAT +ATOM 55241 OH2 TIP3 16311 40.503 -40.678 35.564 1.00 0.00 WAT +ATOM 55242 H1 TIP3 16311 40.646 -41.514 36.044 1.00 0.00 WAT +ATOM 55243 H2 TIP3 16311 40.651 -39.995 36.255 1.00 0.00 WAT +ATOM 55244 OH2 TIP3 16312 42.642 -25.341 34.040 1.00 0.00 WAT +ATOM 55245 H1 TIP3 16312 43.509 -24.942 33.847 1.00 0.00 WAT +ATOM 55246 H2 TIP3 16312 42.487 -25.902 33.260 1.00 0.00 WAT +ATOM 55247 OH2 TIP3 16313 35.251 -26.038 32.787 1.00 0.00 WAT +ATOM 55248 H1 TIP3 16313 35.037 -25.735 33.681 1.00 0.00 WAT +ATOM 55249 H2 TIP3 16313 36.062 -26.553 32.918 1.00 0.00 WAT +ATOM 55250 OH2 TIP3 16314 -31.678 -14.837 39.225 1.00 0.00 WAT +ATOM 55251 H1 TIP3 16314 -31.611 -13.870 39.300 1.00 0.00 WAT +ATOM 55252 H2 TIP3 16314 -32.374 -14.924 38.557 1.00 0.00 WAT +ATOM 55253 OH2 TIP3 16315 -32.679 -15.451 42.467 1.00 0.00 WAT +ATOM 55254 H1 TIP3 16315 -32.778 -16.196 43.081 1.00 0.00 WAT +ATOM 55255 H2 TIP3 16315 -32.831 -15.862 41.605 1.00 0.00 WAT +ATOM 55256 OH2 TIP3 16316 -29.147 -12.698 40.388 1.00 0.00 WAT +ATOM 55257 H1 TIP3 16316 -29.544 -13.348 40.990 1.00 0.00 WAT +ATOM 55258 H2 TIP3 16316 -28.792 -12.085 41.072 1.00 0.00 WAT +ATOM 55259 OH2 TIP3 16317 -39.596 -11.236 42.426 1.00 0.00 WAT +ATOM 55260 H1 TIP3 16317 -39.777 -12.184 42.262 1.00 0.00 WAT +ATOM 55261 H2 TIP3 16317 -38.629 -11.315 42.543 1.00 0.00 WAT +ATOM 55262 OH2 TIP3 16318 -42.585 -17.768 37.107 1.00 0.00 WAT +ATOM 55263 H1 TIP3 16318 -42.931 -17.016 37.636 1.00 0.00 WAT +ATOM 55264 H2 TIP3 16318 -43.315 -18.374 37.248 1.00 0.00 WAT +ATOM 55265 OH2 TIP3 16319 -41.720 -15.045 40.085 1.00 0.00 WAT +ATOM 55266 H1 TIP3 16319 -42.047 -15.947 40.262 1.00 0.00 WAT +ATOM 55267 H2 TIP3 16319 -41.387 -15.151 39.190 1.00 0.00 WAT +ATOM 55268 OH2 TIP3 16320 -32.088 -7.270 41.127 1.00 0.00 WAT +ATOM 55269 H1 TIP3 16320 -31.461 -7.955 40.838 1.00 0.00 WAT +ATOM 55270 H2 TIP3 16320 -32.361 -7.578 42.006 1.00 0.00 WAT +ATOM 55271 OH2 TIP3 16321 -34.665 -13.170 42.804 1.00 0.00 WAT +ATOM 55272 H1 TIP3 16321 -34.220 -13.800 42.217 1.00 0.00 WAT +ATOM 55273 H2 TIP3 16321 -33.864 -12.782 43.217 1.00 0.00 WAT +ATOM 55274 OH2 TIP3 16322 -31.196 -18.507 43.251 1.00 0.00 WAT +ATOM 55275 H1 TIP3 16322 -30.707 -19.337 43.336 1.00 0.00 WAT +ATOM 55276 H2 TIP3 16322 -31.099 -18.309 42.301 1.00 0.00 WAT +ATOM 55277 OH2 TIP3 16323 -37.991 -20.567 40.386 1.00 0.00 WAT +ATOM 55278 H1 TIP3 16323 -37.904 -19.687 39.976 1.00 0.00 WAT +ATOM 55279 H2 TIP3 16323 -38.401 -21.060 39.647 1.00 0.00 WAT +ATOM 55280 OH2 TIP3 16324 -30.242 -20.311 38.728 1.00 0.00 WAT +ATOM 55281 H1 TIP3 16324 -29.669 -20.749 39.398 1.00 0.00 WAT +ATOM 55282 H2 TIP3 16324 -29.581 -19.993 38.101 1.00 0.00 WAT +ATOM 55283 OH2 TIP3 16325 -41.134 -17.907 41.042 1.00 0.00 WAT +ATOM 55284 H1 TIP3 16325 -40.771 -18.594 41.603 1.00 0.00 WAT +ATOM 55285 H2 TIP3 16325 -41.127 -18.353 40.178 1.00 0.00 WAT +ATOM 55286 OH2 TIP3 16326 -36.002 -16.452 40.536 1.00 0.00 WAT +ATOM 55287 H1 TIP3 16326 -35.276 -17.029 40.831 1.00 0.00 WAT +ATOM 55288 H2 TIP3 16326 -36.474 -17.040 39.917 1.00 0.00 WAT +ATOM 55289 OH2 TIP3 16327 -31.718 -11.980 37.926 1.00 0.00 WAT +ATOM 55290 H1 TIP3 16327 -32.001 -12.161 37.025 1.00 0.00 WAT +ATOM 55291 H2 TIP3 16327 -32.150 -11.127 38.114 1.00 0.00 WAT +ATOM 55292 OH2 TIP3 16328 -28.779 -20.851 41.088 1.00 0.00 WAT +ATOM 55293 H1 TIP3 16328 -29.094 -21.485 41.761 1.00 0.00 WAT +ATOM 55294 H2 TIP3 16328 -28.043 -20.438 41.581 1.00 0.00 WAT +ATOM 55295 OH2 TIP3 16329 -38.717 -19.560 42.962 1.00 0.00 WAT +ATOM 55296 H1 TIP3 16329 -39.043 -18.667 42.796 1.00 0.00 WAT +ATOM 55297 H2 TIP3 16329 -38.924 -20.037 42.140 1.00 0.00 WAT +ATOM 55298 OH2 TIP3 16330 -41.835 -12.334 36.293 1.00 0.00 WAT +ATOM 55299 H1 TIP3 16330 -42.638 -12.178 35.753 1.00 0.00 WAT +ATOM 55300 H2 TIP3 16330 -41.946 -11.691 37.010 1.00 0.00 WAT +ATOM 55301 OH2 TIP3 16331 -28.419 -11.350 42.574 1.00 0.00 WAT +ATOM 55302 H1 TIP3 16331 -29.048 -11.463 43.314 1.00 0.00 WAT +ATOM 55303 H2 TIP3 16331 -27.738 -10.810 42.983 1.00 0.00 WAT +ATOM 55304 OH2 TIP3 16332 -35.066 -24.177 41.840 1.00 0.00 WAT +ATOM 55305 H1 TIP3 16332 -35.165 -25.145 41.823 1.00 0.00 WAT +ATOM 55306 H2 TIP3 16332 -35.927 -23.901 42.211 1.00 0.00 WAT +ATOM 55307 OH2 TIP3 16333 -30.187 -8.871 39.648 1.00 0.00 WAT +ATOM 55308 H1 TIP3 16333 -29.717 -9.671 39.341 1.00 0.00 WAT +ATOM 55309 H2 TIP3 16333 -29.530 -8.177 39.450 1.00 0.00 WAT +ATOM 55310 OH2 TIP3 16334 -28.741 -11.026 38.214 1.00 0.00 WAT +ATOM 55311 H1 TIP3 16334 -29.284 -11.484 37.559 1.00 0.00 WAT +ATOM 55312 H2 TIP3 16334 -28.804 -11.649 38.967 1.00 0.00 WAT +ATOM 55313 OH2 TIP3 16335 -32.956 -15.295 36.424 1.00 0.00 WAT +ATOM 55314 H1 TIP3 16335 -33.619 -14.682 36.050 1.00 0.00 WAT +ATOM 55315 H2 TIP3 16335 -32.243 -15.235 35.767 1.00 0.00 WAT +ATOM 55316 OH2 TIP3 16336 -32.656 -17.144 33.493 1.00 0.00 WAT +ATOM 55317 H1 TIP3 16336 -31.966 -16.787 34.082 1.00 0.00 WAT +ATOM 55318 H2 TIP3 16336 -32.117 -17.662 32.877 1.00 0.00 WAT +ATOM 55319 OH2 TIP3 16337 -29.473 -15.293 37.503 1.00 0.00 WAT +ATOM 55320 H1 TIP3 16337 -30.133 -15.035 38.180 1.00 0.00 WAT +ATOM 55321 H2 TIP3 16337 -28.880 -15.857 38.029 1.00 0.00 WAT +ATOM 55322 OH2 TIP3 16338 -37.808 -14.458 39.249 1.00 0.00 WAT +ATOM 55323 H1 TIP3 16338 -38.202 -14.901 38.475 1.00 0.00 WAT +ATOM 55324 H2 TIP3 16338 -37.247 -15.152 39.626 1.00 0.00 WAT +ATOM 55325 OH2 TIP3 16339 -36.840 -11.352 41.588 1.00 0.00 WAT +ATOM 55326 H1 TIP3 16339 -36.620 -11.704 40.715 1.00 0.00 WAT +ATOM 55327 H2 TIP3 16339 -35.994 -11.384 42.055 1.00 0.00 WAT +ATOM 55328 OH2 TIP3 16340 -37.649 -15.779 42.734 1.00 0.00 WAT +ATOM 55329 H1 TIP3 16340 -36.993 -15.761 42.013 1.00 0.00 WAT +ATOM 55330 H2 TIP3 16340 -37.230 -15.249 43.419 1.00 0.00 WAT +ATOM 55331 OH2 TIP3 16341 -30.491 -15.844 34.934 1.00 0.00 WAT +ATOM 55332 H1 TIP3 16341 -30.027 -15.559 35.749 1.00 0.00 WAT +ATOM 55333 H2 TIP3 16341 -29.995 -15.327 34.251 1.00 0.00 WAT +ATOM 55334 OH2 TIP3 16342 -33.025 -9.246 38.528 1.00 0.00 WAT +ATOM 55335 H1 TIP3 16342 -32.565 -8.906 39.304 1.00 0.00 WAT +ATOM 55336 H2 TIP3 16342 -33.528 -8.475 38.223 1.00 0.00 WAT +ATOM 55337 OH2 TIP3 16343 -27.090 -24.099 34.515 1.00 0.00 WAT +ATOM 55338 H1 TIP3 16343 -27.943 -23.919 34.957 1.00 0.00 WAT +ATOM 55339 H2 TIP3 16343 -26.722 -23.209 34.405 1.00 0.00 WAT +ATOM 55340 OH2 TIP3 16344 -38.905 -15.768 36.780 1.00 0.00 WAT +ATOM 55341 H1 TIP3 16344 -39.155 -14.999 36.237 1.00 0.00 WAT +ATOM 55342 H2 TIP3 16344 -39.593 -16.406 36.548 1.00 0.00 WAT +ATOM 55343 OH2 TIP3 16345 -25.663 -9.966 32.962 1.00 0.00 WAT +ATOM 55344 H1 TIP3 16345 -25.510 -9.034 33.218 1.00 0.00 WAT +ATOM 55345 H2 TIP3 16345 -24.800 -10.372 33.174 1.00 0.00 WAT +ATOM 55346 OH2 TIP3 16346 -42.741 -10.607 42.412 1.00 0.00 WAT +ATOM 55347 H1 TIP3 16346 -41.798 -10.385 42.412 1.00 0.00 WAT +ATOM 55348 H2 TIP3 16346 -43.108 -9.817 42.841 1.00 0.00 WAT +ATOM 55349 OH2 TIP3 16347 -33.475 -6.526 37.000 1.00 0.00 WAT +ATOM 55350 H1 TIP3 16347 -33.486 -6.423 36.033 1.00 0.00 WAT +ATOM 55351 H2 TIP3 16347 -33.454 -5.609 37.317 1.00 0.00 WAT +ATOM 55352 OH2 TIP3 16348 -39.761 -7.393 38.626 1.00 0.00 WAT +ATOM 55353 H1 TIP3 16348 -39.535 -7.821 39.477 1.00 0.00 WAT +ATOM 55354 H2 TIP3 16348 -40.551 -7.905 38.385 1.00 0.00 WAT +ATOM 55355 OH2 TIP3 16349 -30.186 -7.101 34.177 1.00 0.00 WAT +ATOM 55356 H1 TIP3 16349 -29.618 -7.763 33.737 1.00 0.00 WAT +ATOM 55357 H2 TIP3 16349 -30.253 -7.475 35.079 1.00 0.00 WAT +ATOM 55358 OH2 TIP3 16350 -30.792 -7.672 36.984 1.00 0.00 WAT +ATOM 55359 H1 TIP3 16350 -31.746 -7.522 37.119 1.00 0.00 WAT +ATOM 55360 H2 TIP3 16350 -30.647 -8.400 37.612 1.00 0.00 WAT +ATOM 55361 OH2 TIP3 16351 -37.522 -23.295 42.937 1.00 0.00 WAT +ATOM 55362 H1 TIP3 16351 -38.360 -23.460 42.456 1.00 0.00 WAT +ATOM 55363 H2 TIP3 16351 -37.529 -22.329 43.038 1.00 0.00 WAT +ATOM 55364 OH2 TIP3 16352 -28.940 -14.774 32.946 1.00 0.00 WAT +ATOM 55365 H1 TIP3 16352 -29.140 -14.941 32.006 1.00 0.00 WAT +ATOM 55366 H2 TIP3 16352 -28.002 -14.518 32.894 1.00 0.00 WAT +ATOM 55367 OH2 TIP3 16353 -33.304 -21.037 33.404 1.00 0.00 WAT +ATOM 55368 H1 TIP3 16353 -33.799 -21.035 34.232 1.00 0.00 WAT +ATOM 55369 H2 TIP3 16353 -33.763 -21.734 32.910 1.00 0.00 WAT +ATOM 55370 OH2 TIP3 16354 -37.672 -18.215 38.838 1.00 0.00 WAT +ATOM 55371 H1 TIP3 16354 -38.634 -18.260 38.681 1.00 0.00 WAT +ATOM 55372 H2 TIP3 16354 -37.339 -18.416 37.944 1.00 0.00 WAT +ATOM 55373 OH2 TIP3 16355 -32.075 -17.650 37.628 1.00 0.00 WAT +ATOM 55374 H1 TIP3 16355 -32.475 -16.826 37.273 1.00 0.00 WAT +ATOM 55375 H2 TIP3 16355 -31.376 -17.815 36.972 1.00 0.00 WAT +ATOM 55376 OH2 TIP3 16356 -31.283 -18.236 40.439 1.00 0.00 WAT +ATOM 55377 H1 TIP3 16356 -31.560 -17.689 39.676 1.00 0.00 WAT +ATOM 55378 H2 TIP3 16356 -31.043 -19.057 39.959 1.00 0.00 WAT +ATOM 55379 OH2 TIP3 16357 -36.837 -20.592 32.379 1.00 0.00 WAT +ATOM 55380 H1 TIP3 16357 -37.264 -20.922 33.193 1.00 0.00 WAT +ATOM 55381 H2 TIP3 16357 -37.598 -20.353 31.833 1.00 0.00 WAT +ATOM 55382 OH2 TIP3 16358 -43.264 -20.493 39.426 1.00 0.00 WAT +ATOM 55383 H1 TIP3 16358 -43.007 -20.711 40.341 1.00 0.00 WAT +ATOM 55384 H2 TIP3 16358 -42.795 -21.163 38.927 1.00 0.00 WAT +ATOM 55385 OH2 TIP3 16359 -42.031 -20.169 35.217 1.00 0.00 WAT +ATOM 55386 H1 TIP3 16359 -41.512 -19.790 34.483 1.00 0.00 WAT +ATOM 55387 H2 TIP3 16359 -42.772 -19.554 35.256 1.00 0.00 WAT +ATOM 55388 OH2 TIP3 16360 -34.994 -20.636 39.821 1.00 0.00 WAT +ATOM 55389 H1 TIP3 16360 -35.933 -20.671 40.081 1.00 0.00 WAT +ATOM 55390 H2 TIP3 16360 -34.549 -20.825 40.662 1.00 0.00 WAT +ATOM 55391 OH2 TIP3 16361 -40.409 -19.326 38.482 1.00 0.00 WAT +ATOM 55392 H1 TIP3 16361 -41.207 -19.074 37.983 1.00 0.00 WAT +ATOM 55393 H2 TIP3 16361 -40.147 -20.159 38.052 1.00 0.00 WAT +ATOM 55394 OH2 TIP3 16362 -36.693 -19.120 36.168 1.00 0.00 WAT +ATOM 55395 H1 TIP3 16362 -35.738 -18.961 36.261 1.00 0.00 WAT +ATOM 55396 H2 TIP3 16362 -36.974 -18.474 35.494 1.00 0.00 WAT +ATOM 55397 OH2 TIP3 16363 -30.572 -21.956 42.849 1.00 0.00 WAT +ATOM 55398 H1 TIP3 16363 -30.912 -21.632 43.697 1.00 0.00 WAT +ATOM 55399 H2 TIP3 16363 -31.337 -21.882 42.254 1.00 0.00 WAT +ATOM 55400 OH2 TIP3 16364 -38.221 -17.841 33.992 1.00 0.00 WAT +ATOM 55401 H1 TIP3 16364 -38.850 -18.090 33.297 1.00 0.00 WAT +ATOM 55402 H2 TIP3 16364 -37.429 -17.628 33.466 1.00 0.00 WAT +ATOM 55403 OH2 TIP3 16365 -34.009 -18.216 41.879 1.00 0.00 WAT +ATOM 55404 H1 TIP3 16365 -33.263 -18.527 41.342 1.00 0.00 WAT +ATOM 55405 H2 TIP3 16365 -33.970 -18.821 42.632 1.00 0.00 WAT +ATOM 55406 OH2 TIP3 16366 -38.711 -21.722 37.920 1.00 0.00 WAT +ATOM 55407 H1 TIP3 16366 -39.185 -22.562 37.987 1.00 0.00 WAT +ATOM 55408 H2 TIP3 16366 -37.905 -21.974 37.452 1.00 0.00 WAT +ATOM 55409 OH2 TIP3 16367 -34.777 -13.238 35.827 1.00 0.00 WAT +ATOM 55410 H1 TIP3 16367 -35.544 -13.729 35.460 1.00 0.00 WAT +ATOM 55411 H2 TIP3 16367 -34.979 -13.209 36.787 1.00 0.00 WAT +ATOM 55412 OH2 TIP3 16368 -30.630 -20.426 33.622 1.00 0.00 WAT +ATOM 55413 H1 TIP3 16368 -31.609 -20.424 33.540 1.00 0.00 WAT +ATOM 55414 H2 TIP3 16368 -30.450 -19.665 34.206 1.00 0.00 WAT +ATOM 55415 OH2 TIP3 16369 -29.936 -18.556 35.681 1.00 0.00 WAT +ATOM 55416 H1 TIP3 16369 -29.007 -18.802 35.827 1.00 0.00 WAT +ATOM 55417 H2 TIP3 16369 -29.862 -17.685 35.247 1.00 0.00 WAT +ATOM 55418 OH2 TIP3 16370 -39.750 -13.954 41.833 1.00 0.00 WAT +ATOM 55419 H1 TIP3 16370 -39.257 -14.000 41.000 1.00 0.00 WAT +ATOM 55420 H2 TIP3 16370 -39.476 -14.793 42.239 1.00 0.00 WAT +ATOM 55421 OH2 TIP3 16371 -32.379 -11.880 34.771 1.00 0.00 WAT +ATOM 55422 H1 TIP3 16371 -32.639 -11.006 35.128 1.00 0.00 WAT +ATOM 55423 H2 TIP3 16371 -33.149 -12.420 35.027 1.00 0.00 WAT +ATOM 55424 OH2 TIP3 16372 -25.349 -18.638 35.371 1.00 0.00 WAT +ATOM 55425 H1 TIP3 16372 -25.909 -18.790 34.586 1.00 0.00 WAT +ATOM 55426 H2 TIP3 16372 -25.221 -17.674 35.274 1.00 0.00 WAT +ATOM 55427 OH2 TIP3 16373 -27.170 -9.984 35.461 1.00 0.00 WAT +ATOM 55428 H1 TIP3 16373 -27.367 -10.743 36.032 1.00 0.00 WAT +ATOM 55429 H2 TIP3 16373 -26.590 -10.362 34.786 1.00 0.00 WAT +ATOM 55430 OH2 TIP3 16374 -30.022 -14.480 42.475 1.00 0.00 WAT +ATOM 55431 H1 TIP3 16374 -30.925 -14.785 42.678 1.00 0.00 WAT +ATOM 55432 H2 TIP3 16374 -29.647 -15.255 42.017 1.00 0.00 WAT +ATOM 55433 OH2 TIP3 16375 -37.253 -10.575 38.734 1.00 0.00 WAT +ATOM 55434 H1 TIP3 16375 -36.863 -9.686 38.742 1.00 0.00 WAT +ATOM 55435 H2 TIP3 16375 -38.192 -10.373 38.634 1.00 0.00 WAT +ATOM 55436 OH2 TIP3 16376 -41.507 -15.596 33.597 1.00 0.00 WAT +ATOM 55437 H1 TIP3 16376 -40.829 -15.001 33.972 1.00 0.00 WAT +ATOM 55438 H2 TIP3 16376 -42.312 -15.148 33.897 1.00 0.00 WAT +ATOM 55439 OH2 TIP3 16377 -35.438 -12.872 38.617 1.00 0.00 WAT +ATOM 55440 H1 TIP3 16377 -35.768 -11.957 38.618 1.00 0.00 WAT +ATOM 55441 H2 TIP3 16377 -36.220 -13.358 38.928 1.00 0.00 WAT +ATOM 55442 OH2 TIP3 16378 -36.812 -7.650 38.118 1.00 0.00 WAT +ATOM 55443 H1 TIP3 16378 -37.769 -7.515 38.188 1.00 0.00 WAT +ATOM 55444 H2 TIP3 16378 -36.472 -6.774 38.386 1.00 0.00 WAT +ATOM 55445 OH2 TIP3 16379 -29.673 -11.555 33.361 1.00 0.00 WAT +ATOM 55446 H1 TIP3 16379 -29.269 -12.011 34.123 1.00 0.00 WAT +ATOM 55447 H2 TIP3 16379 -30.610 -11.692 33.587 1.00 0.00 WAT +ATOM 55448 OH2 TIP3 16380 -24.949 -7.301 33.899 1.00 0.00 WAT +ATOM 55449 H1 TIP3 16380 -24.252 -6.656 33.691 1.00 0.00 WAT +ATOM 55450 H2 TIP3 16380 -25.718 -6.702 33.902 1.00 0.00 WAT +ATOM 55451 OH2 TIP3 16381 -28.723 -12.952 35.738 1.00 0.00 WAT +ATOM 55452 H1 TIP3 16381 -28.989 -13.660 36.348 1.00 0.00 WAT +ATOM 55453 H2 TIP3 16381 -27.754 -12.962 35.833 1.00 0.00 WAT +ATOM 55454 OH2 TIP3 16382 -35.404 -10.473 32.007 1.00 0.00 WAT +ATOM 55455 H1 TIP3 16382 -35.213 -11.206 31.394 1.00 0.00 WAT +ATOM 55456 H2 TIP3 16382 -35.882 -10.927 32.722 1.00 0.00 WAT +ATOM 55457 OH2 TIP3 16383 -36.611 -11.003 34.669 1.00 0.00 WAT +ATOM 55458 H1 TIP3 16383 -36.108 -11.505 35.323 1.00 0.00 WAT +ATOM 55459 H2 TIP3 16383 -36.477 -10.079 34.965 1.00 0.00 WAT +ATOM 55460 OH2 TIP3 16384 -39.836 -13.585 35.029 1.00 0.00 WAT +ATOM 55461 H1 TIP3 16384 -40.560 -13.172 35.560 1.00 0.00 WAT +ATOM 55462 H2 TIP3 16384 -39.382 -12.774 34.743 1.00 0.00 WAT +ATOM 55463 OH2 TIP3 16385 -31.428 -21.695 36.304 1.00 0.00 WAT +ATOM 55464 H1 TIP3 16385 -31.236 -21.153 35.521 1.00 0.00 WAT +ATOM 55465 H2 TIP3 16385 -31.007 -21.178 37.011 1.00 0.00 WAT +ATOM 55466 OH2 TIP3 16386 -33.638 -9.359 35.291 1.00 0.00 WAT +ATOM 55467 H1 TIP3 16386 -34.473 -8.888 35.446 1.00 0.00 WAT +ATOM 55468 H2 TIP3 16386 -33.312 -8.921 34.491 1.00 0.00 WAT +ATOM 55469 OH2 TIP3 16387 -34.025 -19.674 37.256 1.00 0.00 WAT +ATOM 55470 H1 TIP3 16387 -33.282 -19.056 37.419 1.00 0.00 WAT +ATOM 55471 H2 TIP3 16387 -34.346 -19.843 38.162 1.00 0.00 WAT +ATOM 55472 OH2 TIP3 16388 -33.485 -22.685 38.201 1.00 0.00 WAT +ATOM 55473 H1 TIP3 16388 -33.656 -22.012 38.884 1.00 0.00 WAT +ATOM 55474 H2 TIP3 16388 -32.740 -22.276 37.718 1.00 0.00 WAT +ATOM 55475 OH2 TIP3 16389 -36.447 -8.290 35.255 1.00 0.00 WAT +ATOM 55476 H1 TIP3 16389 -36.511 -7.469 34.722 1.00 0.00 WAT +ATOM 55477 H2 TIP3 16389 -36.601 -7.958 36.158 1.00 0.00 WAT +ATOM 55478 OH2 TIP3 16390 -37.718 -21.639 34.807 1.00 0.00 WAT +ATOM 55479 H1 TIP3 16390 -37.751 -20.816 35.326 1.00 0.00 WAT +ATOM 55480 H2 TIP3 16390 -36.858 -22.004 35.098 1.00 0.00 WAT +ATOM 55481 OH2 TIP3 16391 -28.971 -16.888 41.456 1.00 0.00 WAT +ATOM 55482 H1 TIP3 16391 -29.741 -17.365 41.102 1.00 0.00 WAT +ATOM 55483 H2 TIP3 16391 -28.393 -17.631 41.749 1.00 0.00 WAT +ATOM 55484 OH2 TIP3 16392 -39.319 -10.753 33.854 1.00 0.00 WAT +ATOM 55485 H1 TIP3 16392 -38.549 -10.298 34.232 1.00 0.00 WAT +ATOM 55486 H2 TIP3 16392 -38.881 -11.263 33.158 1.00 0.00 WAT +ATOM 55487 OH2 TIP3 16393 -41.150 -18.581 33.016 1.00 0.00 WAT +ATOM 55488 H1 TIP3 16393 -41.099 -17.622 33.157 1.00 0.00 WAT +ATOM 55489 H2 TIP3 16393 -41.938 -18.686 32.473 1.00 0.00 WAT +ATOM 55490 OH2 TIP3 16394 -27.645 -7.062 43.174 1.00 0.00 WAT +ATOM 55491 H1 TIP3 16394 -28.275 -7.197 42.460 1.00 0.00 WAT +ATOM 55492 H2 TIP3 16394 -26.813 -7.414 42.840 1.00 0.00 WAT +ATOM 55493 OH2 TIP3 16395 -40.195 -23.739 41.667 1.00 0.00 WAT +ATOM 55494 H1 TIP3 16395 -40.581 -23.625 40.779 1.00 0.00 WAT +ATOM 55495 H2 TIP3 16395 -40.760 -24.425 42.054 1.00 0.00 WAT +ATOM 55496 OH2 TIP3 16396 -41.384 -9.921 38.027 1.00 0.00 WAT +ATOM 55497 H1 TIP3 16396 -42.304 -9.607 38.012 1.00 0.00 WAT +ATOM 55498 H2 TIP3 16396 -41.049 -9.587 37.184 1.00 0.00 WAT +ATOM 55499 OH2 TIP3 16397 -33.209 -8.819 32.474 1.00 0.00 WAT +ATOM 55500 H1 TIP3 16397 -33.996 -9.398 32.353 1.00 0.00 WAT +ATOM 55501 H2 TIP3 16397 -32.530 -9.375 32.062 1.00 0.00 WAT +ATOM 55502 OH2 TIP3 16398 -28.592 -8.897 32.547 1.00 0.00 WAT +ATOM 55503 H1 TIP3 16398 -28.452 -9.705 33.069 1.00 0.00 WAT +ATOM 55504 H2 TIP3 16398 -27.793 -8.873 31.994 1.00 0.00 WAT +ATOM 55505 OH2 TIP3 16399 -37.806 -13.039 32.305 1.00 0.00 WAT +ATOM 55506 H1 TIP3 16399 -37.605 -13.658 33.024 1.00 0.00 WAT +ATOM 55507 H2 TIP3 16399 -36.984 -13.072 31.781 1.00 0.00 WAT +ATOM 55508 OH2 TIP3 16400 -32.504 -11.748 31.889 1.00 0.00 WAT +ATOM 55509 H1 TIP3 16400 -32.627 -11.783 32.852 1.00 0.00 WAT +ATOM 55510 H2 TIP3 16400 -32.596 -12.698 31.669 1.00 0.00 WAT +ATOM 55511 OH2 TIP3 16401 -36.700 -15.008 34.634 1.00 0.00 WAT +ATOM 55512 H1 TIP3 16401 -37.343 -15.487 35.179 1.00 0.00 WAT +ATOM 55513 H2 TIP3 16401 -36.436 -15.694 33.991 1.00 0.00 WAT +ATOM 55514 OH2 TIP3 16402 -35.766 -17.000 32.840 1.00 0.00 WAT +ATOM 55515 H1 TIP3 16402 -35.797 -16.855 31.876 1.00 0.00 WAT +ATOM 55516 H2 TIP3 16402 -34.805 -17.000 33.006 1.00 0.00 WAT +ATOM 55517 OH2 TIP3 16403 -26.251 -14.462 32.198 1.00 0.00 WAT +ATOM 55518 H1 TIP3 16403 -26.334 -14.893 31.335 1.00 0.00 WAT +ATOM 55519 H2 TIP3 16403 -26.351 -13.518 31.948 1.00 0.00 WAT +ATOM 55520 OH2 TIP3 16404 -36.000 -5.766 33.931 1.00 0.00 WAT +ATOM 55521 H1 TIP3 16404 -35.048 -5.645 34.058 1.00 0.00 WAT +ATOM 55522 H2 TIP3 16404 -36.129 -5.316 33.087 1.00 0.00 WAT +ATOM 55523 OH2 TIP3 16405 -41.975 -10.815 32.948 1.00 0.00 WAT +ATOM 55524 H1 TIP3 16405 -41.249 -10.879 33.595 1.00 0.00 WAT +ATOM 55525 H2 TIP3 16405 -42.177 -11.743 32.754 1.00 0.00 WAT +ATOM 55526 OH2 TIP3 16406 -42.730 -7.990 40.180 1.00 0.00 WAT +ATOM 55527 H1 TIP3 16406 -42.732 -8.926 40.418 1.00 0.00 WAT +ATOM 55528 H2 TIP3 16406 -42.451 -7.601 41.025 1.00 0.00 WAT +ATOM 55529 OH2 TIP3 16407 -24.906 -6.707 42.721 1.00 0.00 WAT +ATOM 55530 H1 TIP3 16407 -25.123 -6.849 43.660 1.00 0.00 WAT +ATOM 55531 H2 TIP3 16407 -23.938 -6.750 42.759 1.00 0.00 WAT +ATOM 55532 OH2 TIP3 16408 -25.857 -13.089 36.136 1.00 0.00 WAT +ATOM 55533 H1 TIP3 16408 -24.950 -12.763 36.291 1.00 0.00 WAT +ATOM 55534 H2 TIP3 16408 -25.937 -13.723 36.871 1.00 0.00 WAT +ATOM 55535 OH2 TIP3 16409 -25.371 -15.149 38.143 1.00 0.00 WAT +ATOM 55536 H1 TIP3 16409 -26.027 -15.710 38.595 1.00 0.00 WAT +ATOM 55537 H2 TIP3 16409 -24.681 -15.026 38.827 1.00 0.00 WAT +ATOM 55538 OH2 TIP3 16410 -25.682 -12.810 43.282 1.00 0.00 WAT +ATOM 55539 H1 TIP3 16410 -25.047 -13.336 42.780 1.00 0.00 WAT +ATOM 55540 H2 TIP3 16410 -25.608 -11.936 42.878 1.00 0.00 WAT +ATOM 55541 OH2 TIP3 16411 -25.099 -15.683 34.673 1.00 0.00 WAT +ATOM 55542 H1 TIP3 16411 -25.618 -15.397 33.898 1.00 0.00 WAT +ATOM 55543 H2 TIP3 16411 -25.234 -14.934 35.274 1.00 0.00 WAT +ATOM 55544 OH2 TIP3 16412 -26.898 -18.112 32.954 1.00 0.00 WAT +ATOM 55545 H1 TIP3 16412 -26.613 -17.530 32.236 1.00 0.00 WAT +ATOM 55546 H2 TIP3 16412 -27.115 -18.941 32.483 1.00 0.00 WAT +ATOM 55547 OH2 TIP3 16413 -27.463 -17.035 39.055 1.00 0.00 WAT +ATOM 55548 H1 TIP3 16413 -27.552 -17.995 39.041 1.00 0.00 WAT +ATOM 55549 H2 TIP3 16413 -27.818 -16.813 39.934 1.00 0.00 WAT +ATOM 55550 OH2 TIP3 16414 -27.405 -20.763 32.170 1.00 0.00 WAT +ATOM 55551 H1 TIP3 16414 -26.794 -21.258 32.745 1.00 0.00 WAT +ATOM 55552 H2 TIP3 16414 -28.186 -21.332 32.120 1.00 0.00 WAT +ATOM 55553 OH2 TIP3 16415 -27.537 -20.367 36.680 1.00 0.00 WAT +ATOM 55554 H1 TIP3 16415 -27.283 -20.920 37.438 1.00 0.00 WAT +ATOM 55555 H2 TIP3 16415 -26.713 -19.931 36.419 1.00 0.00 WAT +ATOM 55556 OH2 TIP3 16416 -27.311 -18.829 42.274 1.00 0.00 WAT +ATOM 55557 H1 TIP3 16416 -26.347 -18.769 42.403 1.00 0.00 WAT +ATOM 55558 H2 TIP3 16416 -27.642 -18.781 43.188 1.00 0.00 WAT +ATOM 55559 OH2 TIP3 16417 -28.712 -26.553 36.552 1.00 0.00 WAT +ATOM 55560 H1 TIP3 16417 -28.290 -26.226 37.366 1.00 0.00 WAT +ATOM 55561 H2 TIP3 16417 -28.914 -25.712 36.125 1.00 0.00 WAT +ATOM 55562 OH2 TIP3 16418 -41.652 -20.796 41.936 1.00 0.00 WAT +ATOM 55563 H1 TIP3 16418 -41.744 -21.748 42.098 1.00 0.00 WAT +ATOM 55564 H2 TIP3 16418 -41.117 -20.544 42.695 1.00 0.00 WAT +ATOM 55565 OH2 TIP3 16419 -43.380 -18.241 43.170 1.00 0.00 WAT +ATOM 55566 H1 TIP3 16419 -43.109 -18.706 42.365 1.00 0.00 WAT +ATOM 55567 H2 TIP3 16419 -42.953 -17.383 43.058 1.00 0.00 WAT +ATOM 55568 OH2 TIP3 16420 -25.163 -21.818 33.731 1.00 0.00 WAT +ATOM 55569 H1 TIP3 16420 -24.825 -22.625 33.303 1.00 0.00 WAT +ATOM 55570 H2 TIP3 16420 -24.346 -21.300 33.837 1.00 0.00 WAT +ATOM 55571 OH2 TIP3 16421 -43.148 -22.278 36.479 1.00 0.00 WAT +ATOM 55572 H1 TIP3 16421 -44.000 -21.986 36.121 1.00 0.00 WAT +ATOM 55573 H2 TIP3 16421 -42.563 -21.571 36.118 1.00 0.00 WAT +ATOM 55574 OH2 TIP3 16422 -28.262 -6.836 39.073 1.00 0.00 WAT +ATOM 55575 H1 TIP3 16422 -27.843 -7.084 38.230 1.00 0.00 WAT +ATOM 55576 H2 TIP3 16422 -27.545 -6.352 39.496 1.00 0.00 WAT +ATOM 55577 OH2 TIP3 16423 -41.566 -7.849 42.672 1.00 0.00 WAT +ATOM 55578 H1 TIP3 16423 -41.309 -7.717 43.605 1.00 0.00 WAT +ATOM 55579 H2 TIP3 16423 -40.679 -7.848 42.274 1.00 0.00 WAT +ATOM 55580 OH2 TIP3 16424 -39.089 -8.633 41.151 1.00 0.00 WAT +ATOM 55581 H1 TIP3 16424 -39.208 -9.557 41.445 1.00 0.00 WAT +ATOM 55582 H2 TIP3 16424 -38.195 -8.434 41.492 1.00 0.00 WAT +ATOM 55583 OH2 TIP3 16425 -36.361 -8.167 42.123 1.00 0.00 WAT +ATOM 55584 H1 TIP3 16425 -36.076 -9.043 41.831 1.00 0.00 WAT +ATOM 55585 H2 TIP3 16425 -36.253 -8.246 43.079 1.00 0.00 WAT +ATOM 55586 OH2 TIP3 16426 -32.977 -22.188 41.313 1.00 0.00 WAT +ATOM 55587 H1 TIP3 16426 -33.606 -22.900 41.548 1.00 0.00 WAT +ATOM 55588 H2 TIP3 16426 -32.329 -22.670 40.771 1.00 0.00 WAT +ATOM 55589 OH2 TIP3 16427 -28.018 -24.377 41.574 1.00 0.00 WAT +ATOM 55590 H1 TIP3 16427 -27.247 -23.802 41.438 1.00 0.00 WAT +ATOM 55591 H2 TIP3 16427 -28.780 -23.870 41.258 1.00 0.00 WAT +ATOM 55592 OH2 TIP3 16428 -25.495 -23.105 39.952 1.00 0.00 WAT +ATOM 55593 H1 TIP3 16428 -25.070 -23.639 39.253 1.00 0.00 WAT +ATOM 55594 H2 TIP3 16428 -25.189 -22.205 39.729 1.00 0.00 WAT +ATOM 55595 OH2 TIP3 16429 -41.046 -23.692 38.843 1.00 0.00 WAT +ATOM 55596 H1 TIP3 16429 -41.795 -23.972 38.303 1.00 0.00 WAT +ATOM 55597 H2 TIP3 16429 -40.449 -24.457 38.761 1.00 0.00 WAT +ATOM 55598 OH2 TIP3 16430 -41.817 -24.073 34.667 1.00 0.00 WAT +ATOM 55599 H1 TIP3 16430 -41.324 -23.387 34.175 1.00 0.00 WAT +ATOM 55600 H2 TIP3 16430 -42.333 -23.521 35.285 1.00 0.00 WAT +ATOM 55601 OH2 TIP3 16431 -36.086 -23.872 38.858 1.00 0.00 WAT +ATOM 55602 H1 TIP3 16431 -35.226 -23.436 38.744 1.00 0.00 WAT +ATOM 55603 H2 TIP3 16431 -36.153 -23.918 39.820 1.00 0.00 WAT +ATOM 55604 OH2 TIP3 16432 -30.484 -23.682 40.089 1.00 0.00 WAT +ATOM 55605 H1 TIP3 16432 -30.312 -23.895 39.162 1.00 0.00 WAT +ATOM 55606 H2 TIP3 16432 -30.881 -24.507 40.412 1.00 0.00 WAT +ATOM 55607 OH2 TIP3 16433 -29.623 -23.937 35.995 1.00 0.00 WAT +ATOM 55608 H1 TIP3 16433 -30.177 -23.135 35.982 1.00 0.00 WAT +ATOM 55609 H2 TIP3 16433 -30.244 -24.578 36.375 1.00 0.00 WAT +ATOM 55610 OH2 TIP3 16434 -41.860 -8.070 35.722 1.00 0.00 WAT +ATOM 55611 H1 TIP3 16434 -42.499 -8.269 35.029 1.00 0.00 WAT +ATOM 55612 H2 TIP3 16434 -41.863 -7.103 35.723 1.00 0.00 WAT +ATOM 55613 OH2 TIP3 16435 -40.069 -22.215 33.200 1.00 0.00 WAT +ATOM 55614 H1 TIP3 16435 -39.465 -22.771 32.680 1.00 0.00 WAT +ATOM 55615 H2 TIP3 16435 -39.481 -21.899 33.910 1.00 0.00 WAT +ATOM 55616 OH2 TIP3 16436 -35.044 -22.202 35.799 1.00 0.00 WAT +ATOM 55617 H1 TIP3 16436 -34.637 -22.704 36.527 1.00 0.00 WAT +ATOM 55618 H2 TIP3 16436 -34.840 -21.300 36.091 1.00 0.00 WAT +ATOM 55619 OH2 TIP3 16437 -32.948 -6.259 34.043 1.00 0.00 WAT +ATOM 55620 H1 TIP3 16437 -31.973 -6.266 34.006 1.00 0.00 WAT +ATOM 55621 H2 TIP3 16437 -33.150 -6.932 33.372 1.00 0.00 WAT +ATOM 55622 OH2 TIP3 16438 -26.462 -7.245 36.641 1.00 0.00 WAT +ATOM 55623 H1 TIP3 16438 -26.684 -8.089 36.196 1.00 0.00 WAT +ATOM 55624 H2 TIP3 16438 -26.478 -6.629 35.892 1.00 0.00 WAT +ATOM 55625 OH2 TIP3 16439 -40.135 -7.028 32.715 1.00 0.00 WAT +ATOM 55626 H1 TIP3 16439 -40.397 -6.926 33.641 1.00 0.00 WAT +ATOM 55627 H2 TIP3 16439 -39.463 -7.731 32.767 1.00 0.00 WAT +ATOM 55628 OH2 TIP3 16440 -12.819 -14.832 39.236 1.00 0.00 WAT +ATOM 55629 H1 TIP3 16440 -12.759 -13.864 39.283 1.00 0.00 WAT +ATOM 55630 H2 TIP3 16440 -13.503 -14.951 38.559 1.00 0.00 WAT +ATOM 55631 OH2 TIP3 16441 -13.842 -15.430 42.467 1.00 0.00 WAT +ATOM 55632 H1 TIP3 16441 -13.910 -16.177 43.087 1.00 0.00 WAT +ATOM 55633 H2 TIP3 16441 -13.966 -15.865 41.613 1.00 0.00 WAT +ATOM 55634 OH2 TIP3 16442 -10.294 -12.667 40.374 1.00 0.00 WAT +ATOM 55635 H1 TIP3 16442 -10.689 -13.356 40.932 1.00 0.00 WAT +ATOM 55636 H2 TIP3 16442 -9.956 -12.081 41.086 1.00 0.00 WAT +ATOM 55637 OH2 TIP3 16443 -20.742 -11.213 42.457 1.00 0.00 WAT +ATOM 55638 H1 TIP3 16443 -20.996 -12.126 42.230 1.00 0.00 WAT +ATOM 55639 H2 TIP3 16443 -19.784 -11.357 42.584 1.00 0.00 WAT +ATOM 55640 OH2 TIP3 16444 -23.789 -17.729 37.774 1.00 0.00 WAT +ATOM 55641 H1 TIP3 16444 -24.191 -16.850 37.862 1.00 0.00 WAT +ATOM 55642 H2 TIP3 16444 -24.500 -18.231 37.358 1.00 0.00 WAT +ATOM 55643 OH2 TIP3 16445 -23.018 -15.366 39.751 1.00 0.00 WAT +ATOM 55644 H1 TIP3 16445 -22.804 -16.154 40.284 1.00 0.00 WAT +ATOM 55645 H2 TIP3 16445 -22.191 -15.236 39.271 1.00 0.00 WAT +ATOM 55646 OH2 TIP3 16446 -13.219 -7.268 41.138 1.00 0.00 WAT +ATOM 55647 H1 TIP3 16446 -12.602 -7.960 40.842 1.00 0.00 WAT +ATOM 55648 H2 TIP3 16446 -13.515 -7.587 42.005 1.00 0.00 WAT +ATOM 55649 OH2 TIP3 16447 -15.802 -13.138 42.776 1.00 0.00 WAT +ATOM 55650 H1 TIP3 16447 -15.373 -13.817 42.232 1.00 0.00 WAT +ATOM 55651 H2 TIP3 16447 -15.000 -12.785 43.213 1.00 0.00 WAT +ATOM 55652 OH2 TIP3 16448 -12.299 -18.399 43.228 1.00 0.00 WAT +ATOM 55653 H1 TIP3 16448 -11.912 -19.270 43.412 1.00 0.00 WAT +ATOM 55654 H2 TIP3 16448 -12.261 -18.351 42.254 1.00 0.00 WAT +ATOM 55655 OH2 TIP3 16449 -19.220 -20.526 40.429 1.00 0.00 WAT +ATOM 55656 H1 TIP3 16449 -19.032 -19.697 39.955 1.00 0.00 WAT +ATOM 55657 H2 TIP3 16449 -19.522 -21.080 39.682 1.00 0.00 WAT +ATOM 55658 OH2 TIP3 16450 -11.294 -20.307 38.706 1.00 0.00 WAT +ATOM 55659 H1 TIP3 16450 -10.744 -20.773 39.375 1.00 0.00 WAT +ATOM 55660 H2 TIP3 16450 -10.607 -19.902 38.157 1.00 0.00 WAT +ATOM 55661 OH2 TIP3 16451 -22.232 -17.868 40.996 1.00 0.00 WAT +ATOM 55662 H1 TIP3 16451 -21.797 -18.512 41.560 1.00 0.00 WAT +ATOM 55663 H2 TIP3 16451 -22.208 -18.328 40.136 1.00 0.00 WAT +ATOM 55664 OH2 TIP3 16452 -17.166 -16.459 40.562 1.00 0.00 WAT +ATOM 55665 H1 TIP3 16452 -16.413 -17.013 40.831 1.00 0.00 WAT +ATOM 55666 H2 TIP3 16452 -17.606 -17.041 39.912 1.00 0.00 WAT +ATOM 55667 OH2 TIP3 16453 -12.808 -11.927 37.906 1.00 0.00 WAT +ATOM 55668 H1 TIP3 16453 -13.176 -12.206 37.064 1.00 0.00 WAT +ATOM 55669 H2 TIP3 16453 -13.305 -11.111 38.096 1.00 0.00 WAT +ATOM 55670 OH2 TIP3 16454 -9.487 -21.148 40.718 1.00 0.00 WAT +ATOM 55671 H1 TIP3 16454 -9.829 -21.748 41.402 1.00 0.00 WAT +ATOM 55672 H2 TIP3 16454 -8.975 -20.545 41.287 1.00 0.00 WAT +ATOM 55673 OH2 TIP3 16455 -19.966 -19.625 42.984 1.00 0.00 WAT +ATOM 55674 H1 TIP3 16455 -20.108 -18.703 42.751 1.00 0.00 WAT +ATOM 55675 H2 TIP3 16455 -19.996 -20.087 42.123 1.00 0.00 WAT +ATOM 55676 OH2 TIP3 16456 -23.113 -12.260 36.269 1.00 0.00 WAT +ATOM 55677 H1 TIP3 16456 -23.290 -11.757 35.456 1.00 0.00 WAT +ATOM 55678 H2 TIP3 16456 -22.933 -11.561 36.933 1.00 0.00 WAT +ATOM 55679 OH2 TIP3 16457 -9.580 -11.315 42.584 1.00 0.00 WAT +ATOM 55680 H1 TIP3 16457 -10.175 -11.523 43.331 1.00 0.00 WAT +ATOM 55681 H2 TIP3 16457 -8.809 -10.966 43.038 1.00 0.00 WAT +ATOM 55682 OH2 TIP3 16458 -16.216 -24.168 41.779 1.00 0.00 WAT +ATOM 55683 H1 TIP3 16458 -16.263 -25.145 41.862 1.00 0.00 WAT +ATOM 55684 H2 TIP3 16458 -17.052 -23.914 42.219 1.00 0.00 WAT +ATOM 55685 OH2 TIP3 16459 -11.334 -8.879 39.688 1.00 0.00 WAT +ATOM 55686 H1 TIP3 16459 -10.878 -9.678 39.361 1.00 0.00 WAT +ATOM 55687 H2 TIP3 16459 -10.698 -8.177 39.451 1.00 0.00 WAT +ATOM 55688 OH2 TIP3 16460 -9.876 -11.014 38.190 1.00 0.00 WAT +ATOM 55689 H1 TIP3 16460 -10.443 -11.492 37.566 1.00 0.00 WAT +ATOM 55690 H2 TIP3 16460 -9.933 -11.623 38.957 1.00 0.00 WAT +ATOM 55691 OH2 TIP3 16461 -14.087 -15.256 36.437 1.00 0.00 WAT +ATOM 55692 H1 TIP3 16461 -14.762 -14.703 36.003 1.00 0.00 WAT +ATOM 55693 H2 TIP3 16461 -13.382 -15.270 35.767 1.00 0.00 WAT +ATOM 55694 OH2 TIP3 16462 -13.821 -17.096 33.483 1.00 0.00 WAT +ATOM 55695 H1 TIP3 16462 -13.103 -16.787 34.065 1.00 0.00 WAT +ATOM 55696 H2 TIP3 16462 -13.326 -17.677 32.885 1.00 0.00 WAT +ATOM 55697 OH2 TIP3 16463 -10.596 -15.274 37.497 1.00 0.00 WAT +ATOM 55698 H1 TIP3 16463 -11.258 -15.074 38.191 1.00 0.00 WAT +ATOM 55699 H2 TIP3 16463 -9.983 -15.851 37.990 1.00 0.00 WAT +ATOM 55700 OH2 TIP3 16464 -18.970 -14.477 39.245 1.00 0.00 WAT +ATOM 55701 H1 TIP3 16464 -19.337 -14.931 38.461 1.00 0.00 WAT +ATOM 55702 H2 TIP3 16464 -18.405 -15.163 39.635 1.00 0.00 WAT +ATOM 55703 OH2 TIP3 16465 -17.973 -11.302 41.554 1.00 0.00 WAT +ATOM 55704 H1 TIP3 16465 -17.747 -11.742 40.725 1.00 0.00 WAT +ATOM 55705 H2 TIP3 16465 -17.168 -11.414 42.078 1.00 0.00 WAT +ATOM 55706 OH2 TIP3 16466 -18.795 -15.612 42.697 1.00 0.00 WAT +ATOM 55707 H1 TIP3 16466 -18.121 -15.798 42.015 1.00 0.00 WAT +ATOM 55708 H2 TIP3 16466 -18.255 -15.443 43.478 1.00 0.00 WAT +ATOM 55709 OH2 TIP3 16467 -11.652 -15.811 34.939 1.00 0.00 WAT +ATOM 55710 H1 TIP3 16467 -11.158 -15.576 35.752 1.00 0.00 WAT +ATOM 55711 H2 TIP3 16467 -11.139 -15.316 34.254 1.00 0.00 WAT +ATOM 55712 OH2 TIP3 16468 -14.143 -9.230 38.515 1.00 0.00 WAT +ATOM 55713 H1 TIP3 16468 -13.731 -8.904 39.323 1.00 0.00 WAT +ATOM 55714 H2 TIP3 16468 -14.668 -8.470 38.220 1.00 0.00 WAT +ATOM 55715 OH2 TIP3 16469 -8.191 -24.111 34.452 1.00 0.00 WAT +ATOM 55716 H1 TIP3 16469 -9.072 -24.005 34.856 1.00 0.00 WAT +ATOM 55717 H2 TIP3 16469 -7.844 -23.205 34.490 1.00 0.00 WAT +ATOM 55718 OH2 TIP3 16470 -20.087 -15.746 36.833 1.00 0.00 WAT +ATOM 55719 H1 TIP3 16470 -20.282 -15.018 36.217 1.00 0.00 WAT +ATOM 55720 H2 TIP3 16470 -20.694 -16.434 36.528 1.00 0.00 WAT +ATOM 55721 OH2 TIP3 16471 -6.792 -9.920 33.025 1.00 0.00 WAT +ATOM 55722 H1 TIP3 16471 -6.573 -8.984 33.171 1.00 0.00 WAT +ATOM 55723 H2 TIP3 16471 -5.922 -10.349 33.130 1.00 0.00 WAT +ATOM 55724 OH2 TIP3 16472 -23.878 -10.335 42.368 1.00 0.00 WAT +ATOM 55725 H1 TIP3 16472 -22.914 -10.403 42.434 1.00 0.00 WAT +ATOM 55726 H2 TIP3 16472 -24.059 -9.531 42.870 1.00 0.00 WAT +ATOM 55727 OH2 TIP3 16473 -14.598 -6.524 36.996 1.00 0.00 WAT +ATOM 55728 H1 TIP3 16473 -14.640 -6.418 36.031 1.00 0.00 WAT +ATOM 55729 H2 TIP3 16473 -14.605 -5.608 37.317 1.00 0.00 WAT +ATOM 55730 OH2 TIP3 16474 -20.830 -7.383 38.627 1.00 0.00 WAT +ATOM 55731 H1 TIP3 16474 -20.679 -7.849 39.474 1.00 0.00 WAT +ATOM 55732 H2 TIP3 16474 -21.663 -7.780 38.337 1.00 0.00 WAT +ATOM 55733 OH2 TIP3 16475 -11.318 -7.094 34.181 1.00 0.00 WAT +ATOM 55734 H1 TIP3 16475 -10.764 -7.763 33.730 1.00 0.00 WAT +ATOM 55735 H2 TIP3 16475 -11.423 -7.489 35.070 1.00 0.00 WAT +ATOM 55736 OH2 TIP3 16476 -11.923 -7.694 36.988 1.00 0.00 WAT +ATOM 55737 H1 TIP3 16476 -12.874 -7.504 37.103 1.00 0.00 WAT +ATOM 55738 H2 TIP3 16476 -11.833 -8.433 37.613 1.00 0.00 WAT +ATOM 55739 OH2 TIP3 16477 -18.617 -23.240 42.895 1.00 0.00 WAT +ATOM 55740 H1 TIP3 16477 -19.445 -23.439 42.434 1.00 0.00 WAT +ATOM 55741 H2 TIP3 16477 -18.693 -22.292 43.082 1.00 0.00 WAT +ATOM 55742 OH2 TIP3 16478 -10.071 -14.715 32.962 1.00 0.00 WAT +ATOM 55743 H1 TIP3 16478 -10.301 -14.928 32.036 1.00 0.00 WAT +ATOM 55744 H2 TIP3 16478 -9.115 -14.542 32.870 1.00 0.00 WAT +ATOM 55745 OH2 TIP3 16479 -14.455 -20.985 33.456 1.00 0.00 WAT +ATOM 55746 H1 TIP3 16479 -14.934 -21.146 34.283 1.00 0.00 WAT +ATOM 55747 H2 TIP3 16479 -14.845 -21.670 32.887 1.00 0.00 WAT +ATOM 55748 OH2 TIP3 16480 -18.793 -18.185 38.832 1.00 0.00 WAT +ATOM 55749 H1 TIP3 16480 -19.747 -18.298 38.670 1.00 0.00 WAT +ATOM 55750 H2 TIP3 16480 -18.440 -18.433 37.952 1.00 0.00 WAT +ATOM 55751 OH2 TIP3 16481 -13.198 -17.633 37.646 1.00 0.00 WAT +ATOM 55752 H1 TIP3 16481 -13.618 -16.832 37.266 1.00 0.00 WAT +ATOM 55753 H2 TIP3 16481 -12.520 -17.828 36.976 1.00 0.00 WAT +ATOM 55754 OH2 TIP3 16482 -12.411 -18.238 40.422 1.00 0.00 WAT +ATOM 55755 H1 TIP3 16482 -12.689 -17.695 39.657 1.00 0.00 WAT +ATOM 55756 H2 TIP3 16482 -12.188 -19.066 39.948 1.00 0.00 WAT +ATOM 55757 OH2 TIP3 16483 -18.012 -20.502 32.358 1.00 0.00 WAT +ATOM 55758 H1 TIP3 16483 -18.361 -20.882 33.191 1.00 0.00 WAT +ATOM 55759 H2 TIP3 16483 -18.807 -20.424 31.819 1.00 0.00 WAT +ATOM 55760 OH2 TIP3 16484 -24.535 -20.609 39.404 1.00 0.00 WAT +ATOM 55761 H1 TIP3 16484 -23.988 -20.658 40.211 1.00 0.00 WAT +ATOM 55762 H2 TIP3 16484 -23.986 -21.031 38.723 1.00 0.00 WAT +ATOM 55763 OH2 TIP3 16485 -22.983 -20.238 35.118 1.00 0.00 WAT +ATOM 55764 H1 TIP3 16485 -22.424 -19.756 34.475 1.00 0.00 WAT +ATOM 55765 H2 TIP3 16485 -23.667 -19.571 35.304 1.00 0.00 WAT +ATOM 55766 OH2 TIP3 16486 -16.109 -20.547 39.858 1.00 0.00 WAT +ATOM 55767 H1 TIP3 16486 -17.041 -20.716 40.072 1.00 0.00 WAT +ATOM 55768 H2 TIP3 16486 -15.663 -20.881 40.654 1.00 0.00 WAT +ATOM 55769 OH2 TIP3 16487 -21.478 -19.384 38.537 1.00 0.00 WAT +ATOM 55770 H1 TIP3 16487 -22.293 -19.131 38.068 1.00 0.00 WAT +ATOM 55771 H2 TIP3 16487 -21.181 -20.182 38.059 1.00 0.00 WAT +ATOM 55772 OH2 TIP3 16488 -17.851 -19.038 36.232 1.00 0.00 WAT +ATOM 55773 H1 TIP3 16488 -16.878 -19.004 36.266 1.00 0.00 WAT +ATOM 55774 H2 TIP3 16488 -18.080 -18.466 35.480 1.00 0.00 WAT +ATOM 55775 OH2 TIP3 16489 -11.675 -21.824 42.725 1.00 0.00 WAT +ATOM 55776 H1 TIP3 16489 -12.035 -21.660 43.610 1.00 0.00 WAT +ATOM 55777 H2 TIP3 16489 -12.474 -21.926 42.185 1.00 0.00 WAT +ATOM 55778 OH2 TIP3 16490 -19.401 -17.795 33.990 1.00 0.00 WAT +ATOM 55779 H1 TIP3 16490 -19.983 -18.118 33.285 1.00 0.00 WAT +ATOM 55780 H2 TIP3 16490 -18.583 -17.623 33.492 1.00 0.00 WAT +ATOM 55781 OH2 TIP3 16491 -15.151 -18.194 41.935 1.00 0.00 WAT +ATOM 55782 H1 TIP3 16491 -14.470 -18.545 41.340 1.00 0.00 WAT +ATOM 55783 H2 TIP3 16491 -15.140 -18.862 42.637 1.00 0.00 WAT +ATOM 55784 OH2 TIP3 16492 -19.729 -21.657 37.847 1.00 0.00 WAT +ATOM 55785 H1 TIP3 16492 -20.317 -22.422 38.003 1.00 0.00 WAT +ATOM 55786 H2 TIP3 16492 -18.932 -22.083 37.502 1.00 0.00 WAT +ATOM 55787 OH2 TIP3 16493 -15.954 -13.205 35.819 1.00 0.00 WAT +ATOM 55788 H1 TIP3 16493 -16.692 -13.742 35.457 1.00 0.00 WAT +ATOM 55789 H2 TIP3 16493 -16.122 -13.229 36.784 1.00 0.00 WAT +ATOM 55790 OH2 TIP3 16494 -11.768 -20.419 33.609 1.00 0.00 WAT +ATOM 55791 H1 TIP3 16494 -12.750 -20.435 33.561 1.00 0.00 WAT +ATOM 55792 H2 TIP3 16494 -11.584 -19.675 34.214 1.00 0.00 WAT +ATOM 55793 OH2 TIP3 16495 -11.091 -18.566 35.664 1.00 0.00 WAT +ATOM 55794 H1 TIP3 16495 -10.209 -18.753 36.043 1.00 0.00 WAT +ATOM 55795 H2 TIP3 16495 -10.947 -17.721 35.205 1.00 0.00 WAT +ATOM 55796 OH2 TIP3 16496 -20.928 -14.123 41.748 1.00 0.00 WAT +ATOM 55797 H1 TIP3 16496 -20.350 -14.014 40.979 1.00 0.00 WAT +ATOM 55798 H2 TIP3 16496 -20.429 -14.810 42.234 1.00 0.00 WAT +ATOM 55799 OH2 TIP3 16497 -13.522 -11.866 34.741 1.00 0.00 WAT +ATOM 55800 H1 TIP3 16497 -13.795 -11.012 35.134 1.00 0.00 WAT +ATOM 55801 H2 TIP3 16497 -14.263 -12.438 35.009 1.00 0.00 WAT +ATOM 55802 OH2 TIP3 16498 -6.510 -18.606 35.399 1.00 0.00 WAT +ATOM 55803 H1 TIP3 16498 -7.043 -18.806 34.605 1.00 0.00 WAT +ATOM 55804 H2 TIP3 16498 -6.376 -17.649 35.248 1.00 0.00 WAT +ATOM 55805 OH2 TIP3 16499 -7.954 -9.980 35.610 1.00 0.00 WAT +ATOM 55806 H1 TIP3 16499 -8.503 -10.677 36.018 1.00 0.00 WAT +ATOM 55807 H2 TIP3 16499 -7.862 -10.323 34.702 1.00 0.00 WAT +ATOM 55808 OH2 TIP3 16500 -11.166 -14.479 42.472 1.00 0.00 WAT +ATOM 55809 H1 TIP3 16500 -12.064 -14.800 42.671 1.00 0.00 WAT +ATOM 55810 H2 TIP3 16500 -10.783 -15.247 42.004 1.00 0.00 WAT +ATOM 55811 OH2 TIP3 16501 -18.396 -10.584 38.688 1.00 0.00 WAT +ATOM 55812 H1 TIP3 16501 -17.999 -9.700 38.737 1.00 0.00 WAT +ATOM 55813 H2 TIP3 16501 -19.337 -10.374 38.645 1.00 0.00 WAT +ATOM 55814 OH2 TIP3 16502 -22.415 -15.759 33.496 1.00 0.00 WAT +ATOM 55815 H1 TIP3 16502 -21.834 -15.090 33.901 1.00 0.00 WAT +ATOM 55816 H2 TIP3 16502 -23.284 -15.510 33.865 1.00 0.00 WAT +ATOM 55817 OH2 TIP3 16503 -16.571 -12.855 38.637 1.00 0.00 WAT +ATOM 55818 H1 TIP3 16503 -16.942 -11.957 38.611 1.00 0.00 WAT +ATOM 55819 H2 TIP3 16503 -17.336 -13.374 38.932 1.00 0.00 WAT +ATOM 55820 OH2 TIP3 16504 -17.956 -7.642 38.123 1.00 0.00 WAT +ATOM 55821 H1 TIP3 16504 -18.915 -7.507 38.196 1.00 0.00 WAT +ATOM 55822 H2 TIP3 16504 -17.618 -6.764 38.388 1.00 0.00 WAT +ATOM 55823 OH2 TIP3 16505 -10.787 -11.500 33.404 1.00 0.00 WAT +ATOM 55824 H1 TIP3 16505 -10.422 -12.072 34.108 1.00 0.00 WAT +ATOM 55825 H2 TIP3 16505 -11.734 -11.662 33.567 1.00 0.00 WAT +ATOM 55826 OH2 TIP3 16506 -5.811 -7.455 34.164 1.00 0.00 WAT +ATOM 55827 H1 TIP3 16506 -5.090 -6.863 33.868 1.00 0.00 WAT +ATOM 55828 H2 TIP3 16506 -6.570 -6.864 33.995 1.00 0.00 WAT +ATOM 55829 OH2 TIP3 16507 -9.808 -12.887 35.753 1.00 0.00 WAT +ATOM 55830 H1 TIP3 16507 -10.145 -13.625 36.290 1.00 0.00 WAT +ATOM 55831 H2 TIP3 16507 -8.848 -12.978 35.874 1.00 0.00 WAT +ATOM 55832 OH2 TIP3 16508 -16.582 -10.505 31.947 1.00 0.00 WAT +ATOM 55833 H1 TIP3 16508 -16.316 -11.290 31.434 1.00 0.00 WAT +ATOM 55834 H2 TIP3 16508 -17.021 -10.918 32.711 1.00 0.00 WAT +ATOM 55835 OH2 TIP3 16509 -17.754 -10.991 34.648 1.00 0.00 WAT +ATOM 55836 H1 TIP3 16509 -17.249 -11.530 35.275 1.00 0.00 WAT +ATOM 55837 H2 TIP3 16509 -17.605 -10.083 34.986 1.00 0.00 WAT +ATOM 55838 OH2 TIP3 16510 -20.912 -13.551 35.036 1.00 0.00 WAT +ATOM 55839 H1 TIP3 16510 -21.632 -13.168 35.575 1.00 0.00 WAT +ATOM 55840 H2 TIP3 16510 -20.434 -12.748 34.767 1.00 0.00 WAT +ATOM 55841 OH2 TIP3 16511 -12.611 -21.633 36.327 1.00 0.00 WAT +ATOM 55842 H1 TIP3 16511 -12.411 -21.115 35.532 1.00 0.00 WAT +ATOM 55843 H2 TIP3 16511 -12.148 -21.133 37.020 1.00 0.00 WAT +ATOM 55844 OH2 TIP3 16512 -14.779 -9.347 35.290 1.00 0.00 WAT +ATOM 55845 H1 TIP3 16512 -15.617 -8.882 35.452 1.00 0.00 WAT +ATOM 55846 H2 TIP3 16512 -14.464 -8.913 34.485 1.00 0.00 WAT +ATOM 55847 OH2 TIP3 16513 -15.206 -19.630 37.270 1.00 0.00 WAT +ATOM 55848 H1 TIP3 16513 -14.426 -19.063 37.437 1.00 0.00 WAT +ATOM 55849 H2 TIP3 16513 -15.504 -19.831 38.178 1.00 0.00 WAT +ATOM 55850 OH2 TIP3 16514 -14.623 -22.639 38.189 1.00 0.00 WAT +ATOM 55851 H1 TIP3 16514 -14.760 -21.991 38.902 1.00 0.00 WAT +ATOM 55852 H2 TIP3 16514 -13.878 -22.233 37.702 1.00 0.00 WAT +ATOM 55853 OH2 TIP3 16515 -17.583 -8.292 35.281 1.00 0.00 WAT +ATOM 55854 H1 TIP3 16515 -17.665 -7.479 34.739 1.00 0.00 WAT +ATOM 55855 H2 TIP3 16515 -17.734 -7.951 36.182 1.00 0.00 WAT +ATOM 55856 OH2 TIP3 16516 -18.879 -21.618 34.731 1.00 0.00 WAT +ATOM 55857 H1 TIP3 16516 -18.865 -20.886 35.370 1.00 0.00 WAT +ATOM 55858 H2 TIP3 16516 -18.085 -22.119 35.005 1.00 0.00 WAT +ATOM 55859 OH2 TIP3 16517 -10.096 -16.849 41.383 1.00 0.00 WAT +ATOM 55860 H1 TIP3 16517 -10.887 -17.328 41.080 1.00 0.00 WAT +ATOM 55861 H2 TIP3 16517 -9.540 -17.592 41.719 1.00 0.00 WAT +ATOM 55862 OH2 TIP3 16518 -20.478 -10.741 33.804 1.00 0.00 WAT +ATOM 55863 H1 TIP3 16518 -19.734 -10.267 34.214 1.00 0.00 WAT +ATOM 55864 H2 TIP3 16518 -19.988 -11.246 33.136 1.00 0.00 WAT +ATOM 55865 OH2 TIP3 16519 -22.328 -18.559 32.940 1.00 0.00 WAT +ATOM 55866 H1 TIP3 16519 -22.207 -17.615 33.156 1.00 0.00 WAT +ATOM 55867 H2 TIP3 16519 -23.191 -18.561 32.511 1.00 0.00 WAT +ATOM 55868 OH2 TIP3 16520 -8.776 -6.878 42.794 1.00 0.00 WAT +ATOM 55869 H1 TIP3 16520 -9.593 -7.364 42.645 1.00 0.00 WAT +ATOM 55870 H2 TIP3 16520 -8.121 -7.544 43.019 1.00 0.00 WAT +ATOM 55871 OH2 TIP3 16521 -21.687 -23.121 41.792 1.00 0.00 WAT +ATOM 55872 H1 TIP3 16521 -21.627 -23.201 40.825 1.00 0.00 WAT +ATOM 55873 H2 TIP3 16521 -21.633 -24.077 41.994 1.00 0.00 WAT +ATOM 55874 OH2 TIP3 16522 -22.531 -10.056 37.985 1.00 0.00 WAT +ATOM 55875 H1 TIP3 16522 -23.290 -9.519 38.248 1.00 0.00 WAT +ATOM 55876 H2 TIP3 16522 -22.140 -9.514 37.283 1.00 0.00 WAT +ATOM 55877 OH2 TIP3 16523 -14.364 -8.818 32.462 1.00 0.00 WAT +ATOM 55878 H1 TIP3 16523 -15.129 -9.424 32.342 1.00 0.00 WAT +ATOM 55879 H2 TIP3 16523 -13.662 -9.353 32.057 1.00 0.00 WAT +ATOM 55880 OH2 TIP3 16524 -9.696 -8.874 32.638 1.00 0.00 WAT +ATOM 55881 H1 TIP3 16524 -9.683 -9.797 32.943 1.00 0.00 WAT +ATOM 55882 H2 TIP3 16524 -8.986 -8.860 31.967 1.00 0.00 WAT +ATOM 55883 OH2 TIP3 16525 -18.944 -13.063 32.273 1.00 0.00 WAT +ATOM 55884 H1 TIP3 16525 -18.785 -13.667 33.017 1.00 0.00 WAT +ATOM 55885 H2 TIP3 16525 -18.087 -13.118 31.808 1.00 0.00 WAT +ATOM 55886 OH2 TIP3 16526 -13.685 -11.745 31.895 1.00 0.00 WAT +ATOM 55887 H1 TIP3 16526 -13.766 -11.802 32.863 1.00 0.00 WAT +ATOM 55888 H2 TIP3 16526 -13.739 -12.699 31.668 1.00 0.00 WAT +ATOM 55889 OH2 TIP3 16527 -17.844 -14.992 34.631 1.00 0.00 WAT +ATOM 55890 H1 TIP3 16527 -18.465 -15.513 35.159 1.00 0.00 WAT +ATOM 55891 H2 TIP3 16527 -17.546 -15.661 33.979 1.00 0.00 WAT +ATOM 55892 OH2 TIP3 16528 -16.901 -16.957 32.879 1.00 0.00 WAT +ATOM 55893 H1 TIP3 16528 -16.949 -16.917 31.907 1.00 0.00 WAT +ATOM 55894 H2 TIP3 16528 -15.938 -17.020 33.022 1.00 0.00 WAT +ATOM 55895 OH2 TIP3 16529 -7.406 -14.452 32.198 1.00 0.00 WAT +ATOM 55896 H1 TIP3 16529 -7.441 -14.929 31.352 1.00 0.00 WAT +ATOM 55897 H2 TIP3 16529 -7.498 -13.525 31.890 1.00 0.00 WAT +ATOM 55898 OH2 TIP3 16530 -17.143 -5.736 33.972 1.00 0.00 WAT +ATOM 55899 H1 TIP3 16530 -16.186 -5.632 34.075 1.00 0.00 WAT +ATOM 55900 H2 TIP3 16530 -17.283 -5.316 33.114 1.00 0.00 WAT +ATOM 55901 OH2 TIP3 16531 -23.228 -11.342 33.497 1.00 0.00 WAT +ATOM 55902 H1 TIP3 16531 -22.274 -11.157 33.634 1.00 0.00 WAT +ATOM 55903 H2 TIP3 16531 -23.202 -12.137 32.927 1.00 0.00 WAT +ATOM 55904 OH2 TIP3 16532 -24.192 -6.178 38.209 1.00 0.00 WAT +ATOM 55905 H1 TIP3 16532 -24.944 -6.535 37.698 1.00 0.00 WAT +ATOM 55906 H2 TIP3 16532 -24.125 -6.832 38.934 1.00 0.00 WAT +ATOM 55907 OH2 TIP3 16533 -23.832 -8.161 40.190 1.00 0.00 WAT +ATOM 55908 H1 TIP3 16533 -24.099 -9.045 40.483 1.00 0.00 WAT +ATOM 55909 H2 TIP3 16533 -23.569 -7.790 41.051 1.00 0.00 WAT +ATOM 55910 OH2 TIP3 16534 -5.933 -6.609 42.702 1.00 0.00 WAT +ATOM 55911 H1 TIP3 16534 -6.231 -6.823 43.600 1.00 0.00 WAT +ATOM 55912 H2 TIP3 16534 -4.983 -6.791 42.775 1.00 0.00 WAT +ATOM 55913 OH2 TIP3 16535 -6.899 -13.053 36.144 1.00 0.00 WAT +ATOM 55914 H1 TIP3 16535 -5.990 -12.798 36.388 1.00 0.00 WAT +ATOM 55915 H2 TIP3 16535 -7.077 -13.713 36.837 1.00 0.00 WAT +ATOM 55916 OH2 TIP3 16536 -6.518 -15.099 38.133 1.00 0.00 WAT +ATOM 55917 H1 TIP3 16536 -7.201 -15.671 38.530 1.00 0.00 WAT +ATOM 55918 H2 TIP3 16536 -5.838 -15.048 38.835 1.00 0.00 WAT +ATOM 55919 OH2 TIP3 16537 -6.833 -12.786 43.266 1.00 0.00 WAT +ATOM 55920 H1 TIP3 16537 -6.196 -13.362 42.817 1.00 0.00 WAT +ATOM 55921 H2 TIP3 16537 -6.678 -11.928 42.855 1.00 0.00 WAT +ATOM 55922 OH2 TIP3 16538 -6.317 -15.697 34.702 1.00 0.00 WAT +ATOM 55923 H1 TIP3 16538 -6.810 -15.428 33.904 1.00 0.00 WAT +ATOM 55924 H2 TIP3 16538 -6.410 -14.911 35.258 1.00 0.00 WAT +ATOM 55925 OH2 TIP3 16539 -8.035 -18.099 32.945 1.00 0.00 WAT +ATOM 55926 H1 TIP3 16539 -7.731 -17.549 32.208 1.00 0.00 WAT +ATOM 55927 H2 TIP3 16539 -8.264 -18.938 32.496 1.00 0.00 WAT +ATOM 55928 OH2 TIP3 16540 -8.647 -16.980 38.914 1.00 0.00 WAT +ATOM 55929 H1 TIP3 16540 -8.671 -17.940 38.758 1.00 0.00 WAT +ATOM 55930 H2 TIP3 16540 -8.990 -16.906 39.824 1.00 0.00 WAT +ATOM 55931 OH2 TIP3 16541 -23.774 -15.117 42.626 1.00 0.00 WAT +ATOM 55932 H1 TIP3 16541 -23.404 -14.850 41.768 1.00 0.00 WAT +ATOM 55933 H2 TIP3 16541 -22.976 -15.154 43.182 1.00 0.00 WAT +ATOM 55934 OH2 TIP3 16542 -8.569 -20.755 32.193 1.00 0.00 WAT +ATOM 55935 H1 TIP3 16542 -7.965 -21.284 32.741 1.00 0.00 WAT +ATOM 55936 H2 TIP3 16542 -9.346 -21.323 32.088 1.00 0.00 WAT +ATOM 55937 OH2 TIP3 16543 -8.734 -19.496 37.112 1.00 0.00 WAT +ATOM 55938 H1 TIP3 16543 -8.503 -20.449 37.158 1.00 0.00 WAT +ATOM 55939 H2 TIP3 16543 -7.934 -19.147 36.680 1.00 0.00 WAT +ATOM 55940 OH2 TIP3 16544 -8.537 -18.844 42.201 1.00 0.00 WAT +ATOM 55941 H1 TIP3 16544 -7.578 -18.866 42.358 1.00 0.00 WAT +ATOM 55942 H2 TIP3 16544 -8.897 -18.999 43.092 1.00 0.00 WAT +ATOM 55943 OH2 TIP3 16545 -8.278 -22.285 37.071 1.00 0.00 WAT +ATOM 55944 H1 TIP3 16545 -8.169 -22.622 37.978 1.00 0.00 WAT +ATOM 55945 H2 TIP3 16545 -9.068 -22.785 36.777 1.00 0.00 WAT +ATOM 55946 OH2 TIP3 16546 -23.105 -20.848 41.968 1.00 0.00 WAT +ATOM 55947 H1 TIP3 16546 -22.848 -21.798 41.959 1.00 0.00 WAT +ATOM 55948 H2 TIP3 16546 -22.430 -20.536 42.580 1.00 0.00 WAT +ATOM 55949 OH2 TIP3 16547 -24.650 -18.108 43.025 1.00 0.00 WAT +ATOM 55950 H1 TIP3 16547 -24.179 -18.534 42.288 1.00 0.00 WAT +ATOM 55951 H2 TIP3 16547 -24.319 -17.191 42.957 1.00 0.00 WAT +ATOM 55952 OH2 TIP3 16548 -6.302 -21.820 33.750 1.00 0.00 WAT +ATOM 55953 H1 TIP3 16548 -5.991 -22.613 33.281 1.00 0.00 WAT +ATOM 55954 H2 TIP3 16548 -5.490 -21.291 33.810 1.00 0.00 WAT +ATOM 55955 OH2 TIP3 16549 -24.077 -22.021 36.918 1.00 0.00 WAT +ATOM 55956 H1 TIP3 16549 -24.980 -21.945 36.595 1.00 0.00 WAT +ATOM 55957 H2 TIP3 16549 -23.574 -21.476 36.280 1.00 0.00 WAT +ATOM 55958 OH2 TIP3 16550 -9.452 -6.820 39.070 1.00 0.00 WAT +ATOM 55959 H1 TIP3 16550 -8.968 -7.104 38.285 1.00 0.00 WAT +ATOM 55960 H2 TIP3 16550 -8.780 -6.337 39.573 1.00 0.00 WAT +ATOM 55961 OH2 TIP3 16551 -22.400 -7.784 42.622 1.00 0.00 WAT +ATOM 55962 H1 TIP3 16551 -22.039 -7.754 43.534 1.00 0.00 WAT +ATOM 55963 H2 TIP3 16551 -21.570 -7.976 42.138 1.00 0.00 WAT +ATOM 55964 OH2 TIP3 16552 -20.187 -8.661 41.158 1.00 0.00 WAT +ATOM 55965 H1 TIP3 16552 -20.301 -9.598 41.419 1.00 0.00 WAT +ATOM 55966 H2 TIP3 16552 -19.273 -8.488 41.465 1.00 0.00 WAT +ATOM 55967 OH2 TIP3 16553 -17.501 -8.180 42.126 1.00 0.00 WAT +ATOM 55968 H1 TIP3 16553 -17.204 -9.057 41.842 1.00 0.00 WAT +ATOM 55969 H2 TIP3 16553 -17.385 -8.248 43.081 1.00 0.00 WAT +ATOM 55970 OH2 TIP3 16554 -14.143 -22.189 41.286 1.00 0.00 WAT +ATOM 55971 H1 TIP3 16554 -14.755 -22.906 41.553 1.00 0.00 WAT +ATOM 55972 H2 TIP3 16554 -13.495 -22.682 40.749 1.00 0.00 WAT +ATOM 55973 OH2 TIP3 16555 -9.317 -24.115 41.354 1.00 0.00 WAT +ATOM 55974 H1 TIP3 16555 -8.658 -23.547 40.919 1.00 0.00 WAT +ATOM 55975 H2 TIP3 16555 -10.153 -23.848 40.925 1.00 0.00 WAT +ATOM 55976 OH2 TIP3 16556 -7.075 -23.120 39.639 1.00 0.00 WAT +ATOM 55977 H1 TIP3 16556 -6.365 -23.535 39.117 1.00 0.00 WAT +ATOM 55978 H2 TIP3 16556 -6.751 -22.203 39.733 1.00 0.00 WAT +ATOM 55979 OH2 TIP3 16557 -21.721 -23.471 38.728 1.00 0.00 WAT +ATOM 55980 H1 TIP3 16557 -22.609 -23.733 38.412 1.00 0.00 WAT +ATOM 55981 H2 TIP3 16557 -21.377 -24.320 39.047 1.00 0.00 WAT +ATOM 55982 OH2 TIP3 16558 -23.021 -24.045 34.719 1.00 0.00 WAT +ATOM 55983 H1 TIP3 16558 -22.443 -23.405 34.263 1.00 0.00 WAT +ATOM 55984 H2 TIP3 16558 -23.321 -23.542 35.492 1.00 0.00 WAT +ATOM 55985 OH2 TIP3 16559 -17.275 -23.709 38.907 1.00 0.00 WAT +ATOM 55986 H1 TIP3 16559 -16.345 -23.475 38.750 1.00 0.00 WAT +ATOM 55987 H2 TIP3 16559 -17.262 -23.910 39.853 1.00 0.00 WAT +ATOM 55988 OH2 TIP3 16560 -11.799 -23.658 40.026 1.00 0.00 WAT +ATOM 55989 H1 TIP3 16560 -11.511 -23.941 39.148 1.00 0.00 WAT +ATOM 55990 H2 TIP3 16560 -12.131 -24.492 40.408 1.00 0.00 WAT +ATOM 55991 OH2 TIP3 16561 -10.589 -23.682 36.158 1.00 0.00 WAT +ATOM 55992 H1 TIP3 16561 -11.418 -23.185 36.025 1.00 0.00 WAT +ATOM 55993 H2 TIP3 16561 -10.932 -24.581 36.308 1.00 0.00 WAT +ATOM 55994 OH2 TIP3 16562 -22.758 -8.111 35.928 1.00 0.00 WAT +ATOM 55995 H1 TIP3 16562 -23.400 -8.228 35.212 1.00 0.00 WAT +ATOM 55996 H2 TIP3 16562 -22.785 -7.149 36.031 1.00 0.00 WAT +ATOM 55997 OH2 TIP3 16563 -21.229 -22.238 33.207 1.00 0.00 WAT +ATOM 55998 H1 TIP3 16563 -20.631 -22.813 32.700 1.00 0.00 WAT +ATOM 55999 H2 TIP3 16563 -20.626 -21.915 33.905 1.00 0.00 WAT +ATOM 56000 OH2 TIP3 16564 -16.140 -22.061 35.825 1.00 0.00 WAT +ATOM 56001 H1 TIP3 16564 -15.791 -22.636 36.526 1.00 0.00 WAT +ATOM 56002 H2 TIP3 16564 -15.946 -21.192 36.211 1.00 0.00 WAT +ATOM 56003 OH2 TIP3 16565 -14.096 -6.264 34.041 1.00 0.00 WAT +ATOM 56004 H1 TIP3 16565 -13.123 -6.256 33.993 1.00 0.00 WAT +ATOM 56005 H2 TIP3 16565 -14.298 -6.936 33.370 1.00 0.00 WAT +ATOM 56006 OH2 TIP3 16566 -7.533 -7.344 36.562 1.00 0.00 WAT +ATOM 56007 H1 TIP3 16566 -8.049 -8.080 36.164 1.00 0.00 WAT +ATOM 56008 H2 TIP3 16566 -7.745 -6.605 35.954 1.00 0.00 WAT +ATOM 56009 OH2 TIP3 16567 -21.325 -7.146 32.729 1.00 0.00 WAT +ATOM 56010 H1 TIP3 16567 -21.565 -6.894 33.632 1.00 0.00 WAT +ATOM 56011 H2 TIP3 16567 -20.564 -7.734 32.869 1.00 0.00 WAT +ATOM 56012 OH2 TIP3 16568 6.159 -14.784 39.162 1.00 0.00 WAT +ATOM 56013 H1 TIP3 16568 6.105 -13.825 39.286 1.00 0.00 WAT +ATOM 56014 H2 TIP3 16568 5.325 -14.975 38.715 1.00 0.00 WAT +ATOM 56015 OH2 TIP3 16569 8.567 -12.688 40.391 1.00 0.00 WAT +ATOM 56016 H1 TIP3 16569 8.112 -13.362 40.914 1.00 0.00 WAT +ATOM 56017 H2 TIP3 16569 8.906 -12.121 41.119 1.00 0.00 WAT +ATOM 56018 OH2 TIP3 16570 -1.884 -11.217 42.424 1.00 0.00 WAT +ATOM 56019 H1 TIP3 16570 -2.109 -12.146 42.229 1.00 0.00 WAT +ATOM 56020 H2 TIP3 16570 -0.928 -11.338 42.590 1.00 0.00 WAT +ATOM 56021 OH2 TIP3 16571 -4.931 -17.723 37.787 1.00 0.00 WAT +ATOM 56022 H1 TIP3 16571 -5.353 -16.853 37.848 1.00 0.00 WAT +ATOM 56023 H2 TIP3 16571 -5.623 -18.252 37.371 1.00 0.00 WAT +ATOM 56024 OH2 TIP3 16572 -4.149 -15.354 39.747 1.00 0.00 WAT +ATOM 56025 H1 TIP3 16572 -3.964 -16.154 40.272 1.00 0.00 WAT +ATOM 56026 H2 TIP3 16572 -3.316 -15.253 39.270 1.00 0.00 WAT +ATOM 56027 OH2 TIP3 16573 5.620 -7.264 41.151 1.00 0.00 WAT +ATOM 56028 H1 TIP3 16573 6.236 -7.942 40.822 1.00 0.00 WAT +ATOM 56029 H2 TIP3 16573 5.361 -7.609 42.020 1.00 0.00 WAT +ATOM 56030 OH2 TIP3 16574 3.076 -13.073 42.657 1.00 0.00 WAT +ATOM 56031 H1 TIP3 16574 3.387 -13.937 42.308 1.00 0.00 WAT +ATOM 56032 H2 TIP3 16574 3.897 -12.835 43.129 1.00 0.00 WAT +ATOM 56033 OH2 TIP3 16575 7.130 -18.429 43.243 1.00 0.00 WAT +ATOM 56034 H1 TIP3 16575 6.944 -19.368 43.332 1.00 0.00 WAT +ATOM 56035 H2 TIP3 16575 6.562 -18.175 42.492 1.00 0.00 WAT +ATOM 56036 OH2 TIP3 16576 -0.397 -20.525 40.442 1.00 0.00 WAT +ATOM 56037 H1 TIP3 16576 -0.167 -19.695 39.984 1.00 0.00 WAT +ATOM 56038 H2 TIP3 16576 -0.679 -21.056 39.670 1.00 0.00 WAT +ATOM 56039 OH2 TIP3 16577 7.549 -20.398 38.638 1.00 0.00 WAT +ATOM 56040 H1 TIP3 16577 8.088 -20.754 39.379 1.00 0.00 WAT +ATOM 56041 H2 TIP3 16577 8.200 -19.837 38.196 1.00 0.00 WAT +ATOM 56042 OH2 TIP3 16578 -3.414 -17.883 41.001 1.00 0.00 WAT +ATOM 56043 H1 TIP3 16578 -2.901 -18.483 41.548 1.00 0.00 WAT +ATOM 56044 H2 TIP3 16578 -3.360 -18.330 40.135 1.00 0.00 WAT +ATOM 56045 OH2 TIP3 16579 1.709 -16.532 40.565 1.00 0.00 WAT +ATOM 56046 H1 TIP3 16579 2.603 -16.840 40.799 1.00 0.00 WAT +ATOM 56047 H2 TIP3 16579 1.379 -17.233 39.973 1.00 0.00 WAT +ATOM 56048 OH2 TIP3 16580 6.048 -11.910 37.913 1.00 0.00 WAT +ATOM 56049 H1 TIP3 16580 5.685 -12.223 37.081 1.00 0.00 WAT +ATOM 56050 H2 TIP3 16580 5.531 -11.106 38.092 1.00 0.00 WAT +ATOM 56051 OH2 TIP3 16581 9.379 -21.134 40.712 1.00 0.00 WAT +ATOM 56052 H1 TIP3 16581 9.144 -21.785 41.393 1.00 0.00 WAT +ATOM 56053 H2 TIP3 16581 9.843 -20.486 41.276 1.00 0.00 WAT +ATOM 56054 OH2 TIP3 16582 -1.155 -19.627 42.964 1.00 0.00 WAT +ATOM 56055 H1 TIP3 16582 -1.200 -18.691 42.745 1.00 0.00 WAT +ATOM 56056 H2 TIP3 16582 -1.103 -20.064 42.088 1.00 0.00 WAT +ATOM 56057 OH2 TIP3 16583 -4.222 -12.065 36.438 1.00 0.00 WAT +ATOM 56058 H1 TIP3 16583 -4.348 -11.758 35.522 1.00 0.00 WAT +ATOM 56059 H2 TIP3 16583 -3.976 -11.282 36.938 1.00 0.00 WAT +ATOM 56060 OH2 TIP3 16584 9.299 -11.374 42.601 1.00 0.00 WAT +ATOM 56061 H1 TIP3 16584 8.673 -11.500 43.341 1.00 0.00 WAT +ATOM 56062 H2 TIP3 16584 9.988 -10.851 43.018 1.00 0.00 WAT +ATOM 56063 OH2 TIP3 16585 2.595 -24.170 41.759 1.00 0.00 WAT +ATOM 56064 H1 TIP3 16585 2.565 -25.137 41.818 1.00 0.00 WAT +ATOM 56065 H2 TIP3 16585 1.782 -23.914 42.234 1.00 0.00 WAT +ATOM 56066 OH2 TIP3 16586 7.512 -8.860 39.648 1.00 0.00 WAT +ATOM 56067 H1 TIP3 16586 7.965 -9.677 39.355 1.00 0.00 WAT +ATOM 56068 H2 TIP3 16586 8.188 -8.187 39.442 1.00 0.00 WAT +ATOM 56069 OH2 TIP3 16587 8.966 -11.018 38.223 1.00 0.00 WAT +ATOM 56070 H1 TIP3 16587 8.425 -11.481 37.567 1.00 0.00 WAT +ATOM 56071 H2 TIP3 16587 8.905 -11.650 38.971 1.00 0.00 WAT +ATOM 56072 OH2 TIP3 16588 4.733 -15.281 36.396 1.00 0.00 WAT +ATOM 56073 H1 TIP3 16588 4.095 -14.688 35.963 1.00 0.00 WAT +ATOM 56074 H2 TIP3 16588 5.483 -15.258 35.779 1.00 0.00 WAT +ATOM 56075 OH2 TIP3 16589 5.036 -17.101 33.467 1.00 0.00 WAT +ATOM 56076 H1 TIP3 16589 5.732 -16.792 34.075 1.00 0.00 WAT +ATOM 56077 H2 TIP3 16589 5.552 -17.673 32.881 1.00 0.00 WAT +ATOM 56078 OH2 TIP3 16590 8.267 -15.295 37.489 1.00 0.00 WAT +ATOM 56079 H1 TIP3 16590 7.585 -15.068 38.166 1.00 0.00 WAT +ATOM 56080 H2 TIP3 16590 8.856 -15.858 38.021 1.00 0.00 WAT +ATOM 56081 OH2 TIP3 16591 -0.083 -14.548 39.286 1.00 0.00 WAT +ATOM 56082 H1 TIP3 16591 -0.428 -15.002 38.493 1.00 0.00 WAT +ATOM 56083 H2 TIP3 16591 0.522 -15.217 39.654 1.00 0.00 WAT +ATOM 56084 OH2 TIP3 16592 0.927 -11.326 41.548 1.00 0.00 WAT +ATOM 56085 H1 TIP3 16592 1.145 -11.796 40.734 1.00 0.00 WAT +ATOM 56086 H2 TIP3 16592 1.714 -11.501 42.086 1.00 0.00 WAT +ATOM 56087 OH2 TIP3 16593 0.117 -15.567 42.677 1.00 0.00 WAT +ATOM 56088 H1 TIP3 16593 0.802 -15.774 42.006 1.00 0.00 WAT +ATOM 56089 H2 TIP3 16593 0.639 -15.517 43.487 1.00 0.00 WAT +ATOM 56090 OH2 TIP3 16594 7.216 -15.833 34.949 1.00 0.00 WAT +ATOM 56091 H1 TIP3 16594 7.686 -15.566 35.768 1.00 0.00 WAT +ATOM 56092 H2 TIP3 16594 7.720 -15.322 34.269 1.00 0.00 WAT +ATOM 56093 OH2 TIP3 16595 4.657 -9.235 38.523 1.00 0.00 WAT +ATOM 56094 H1 TIP3 16595 5.167 -8.940 39.287 1.00 0.00 WAT +ATOM 56095 H2 TIP3 16595 4.187 -8.434 38.247 1.00 0.00 WAT +ATOM 56096 OH2 TIP3 16596 10.667 -24.115 34.452 1.00 0.00 WAT +ATOM 56097 H1 TIP3 16596 9.787 -24.009 34.859 1.00 0.00 WAT +ATOM 56098 H2 TIP3 16596 11.013 -23.209 34.496 1.00 0.00 WAT +ATOM 56099 OH2 TIP3 16597 -1.252 -15.759 36.844 1.00 0.00 WAT +ATOM 56100 H1 TIP3 16597 -1.403 -15.042 36.208 1.00 0.00 WAT +ATOM 56101 H2 TIP3 16597 -1.841 -16.449 36.511 1.00 0.00 WAT +ATOM 56102 OH2 TIP3 16598 12.043 -9.966 32.976 1.00 0.00 WAT +ATOM 56103 H1 TIP3 16598 12.200 -9.033 33.221 1.00 0.00 WAT +ATOM 56104 H2 TIP3 16598 12.909 -10.372 33.178 1.00 0.00 WAT +ATOM 56105 OH2 TIP3 16599 -5.022 -10.286 42.270 1.00 0.00 WAT +ATOM 56106 H1 TIP3 16599 -4.083 -10.433 42.464 1.00 0.00 WAT +ATOM 56107 H2 TIP3 16599 -5.248 -9.587 42.896 1.00 0.00 WAT +ATOM 56108 OH2 TIP3 16600 4.158 -6.519 36.990 1.00 0.00 WAT +ATOM 56109 H1 TIP3 16600 4.247 -6.429 36.025 1.00 0.00 WAT +ATOM 56110 H2 TIP3 16600 4.267 -5.608 37.306 1.00 0.00 WAT +ATOM 56111 OH2 TIP3 16601 -2.326 -7.822 38.454 1.00 0.00 WAT +ATOM 56112 H1 TIP3 16601 -1.898 -8.077 39.291 1.00 0.00 WAT +ATOM 56113 H2 TIP3 16601 -3.256 -7.982 38.673 1.00 0.00 WAT +ATOM 56114 OH2 TIP3 16602 7.524 -7.103 34.184 1.00 0.00 WAT +ATOM 56115 H1 TIP3 16602 8.101 -7.751 33.734 1.00 0.00 WAT +ATOM 56116 H2 TIP3 16602 7.471 -7.487 35.082 1.00 0.00 WAT +ATOM 56117 OH2 TIP3 16603 6.914 -7.667 36.990 1.00 0.00 WAT +ATOM 56118 H1 TIP3 16603 5.960 -7.557 37.140 1.00 0.00 WAT +ATOM 56119 H2 TIP3 16603 7.095 -8.411 37.590 1.00 0.00 WAT +ATOM 56120 OH2 TIP3 16604 0.155 -23.279 42.924 1.00 0.00 WAT +ATOM 56121 H1 TIP3 16604 -0.668 -23.309 42.406 1.00 0.00 WAT +ATOM 56122 H2 TIP3 16604 0.284 -22.324 43.084 1.00 0.00 WAT +ATOM 56123 OH2 TIP3 16605 8.781 -14.761 32.954 1.00 0.00 WAT +ATOM 56124 H1 TIP3 16605 8.569 -14.933 32.016 1.00 0.00 WAT +ATOM 56125 H2 TIP3 16605 9.721 -14.517 32.889 1.00 0.00 WAT +ATOM 56126 OH2 TIP3 16606 4.416 -20.997 33.453 1.00 0.00 WAT +ATOM 56127 H1 TIP3 16606 3.922 -21.119 34.276 1.00 0.00 WAT +ATOM 56128 H2 TIP3 16606 3.997 -21.668 32.887 1.00 0.00 WAT +ATOM 56129 OH2 TIP3 16607 0.053 -18.226 38.866 1.00 0.00 WAT +ATOM 56130 H1 TIP3 16607 -0.899 -18.305 38.672 1.00 0.00 WAT +ATOM 56131 H2 TIP3 16607 0.428 -18.410 37.982 1.00 0.00 WAT +ATOM 56132 OH2 TIP3 16608 5.622 -17.665 37.587 1.00 0.00 WAT +ATOM 56133 H1 TIP3 16608 5.245 -16.818 37.272 1.00 0.00 WAT +ATOM 56134 H2 TIP3 16608 6.341 -17.803 36.951 1.00 0.00 WAT +ATOM 56135 OH2 TIP3 16609 6.445 -18.233 40.505 1.00 0.00 WAT +ATOM 56136 H1 TIP3 16609 5.995 -17.628 39.894 1.00 0.00 WAT +ATOM 56137 H2 TIP3 16609 6.477 -19.047 39.980 1.00 0.00 WAT +ATOM 56138 OH2 TIP3 16610 0.840 -20.507 32.361 1.00 0.00 WAT +ATOM 56139 H1 TIP3 16610 0.474 -20.894 33.181 1.00 0.00 WAT +ATOM 56140 H2 TIP3 16610 0.053 -20.413 31.808 1.00 0.00 WAT +ATOM 56141 OH2 TIP3 16611 -5.693 -20.637 39.440 1.00 0.00 WAT +ATOM 56142 H1 TIP3 16611 -5.103 -20.690 40.213 1.00 0.00 WAT +ATOM 56143 H2 TIP3 16611 -5.177 -21.047 38.729 1.00 0.00 WAT +ATOM 56144 OH2 TIP3 16612 -4.115 -20.230 35.151 1.00 0.00 WAT +ATOM 56145 H1 TIP3 16612 -3.578 -19.757 34.480 1.00 0.00 WAT +ATOM 56146 H2 TIP3 16612 -4.822 -19.581 35.306 1.00 0.00 WAT +ATOM 56147 OH2 TIP3 16613 2.721 -20.530 39.870 1.00 0.00 WAT +ATOM 56148 H1 TIP3 16613 1.820 -20.697 40.182 1.00 0.00 WAT +ATOM 56149 H2 TIP3 16613 3.255 -20.778 40.647 1.00 0.00 WAT +ATOM 56150 OH2 TIP3 16614 -2.645 -19.387 38.545 1.00 0.00 WAT +ATOM 56151 H1 TIP3 16614 -3.447 -19.118 38.063 1.00 0.00 WAT +ATOM 56152 H2 TIP3 16614 -2.333 -20.165 38.045 1.00 0.00 WAT +ATOM 56153 OH2 TIP3 16615 1.007 -19.060 36.219 1.00 0.00 WAT +ATOM 56154 H1 TIP3 16615 1.978 -19.003 36.283 1.00 0.00 WAT +ATOM 56155 H2 TIP3 16615 0.786 -18.468 35.481 1.00 0.00 WAT +ATOM 56156 OH2 TIP3 16616 7.166 -21.984 42.836 1.00 0.00 WAT +ATOM 56157 H1 TIP3 16616 6.799 -21.696 43.686 1.00 0.00 WAT +ATOM 56158 H2 TIP3 16616 6.428 -21.857 42.224 1.00 0.00 WAT +ATOM 56159 OH2 TIP3 16617 -0.546 -17.797 33.997 1.00 0.00 WAT +ATOM 56160 H1 TIP3 16617 -1.130 -18.122 33.294 1.00 0.00 WAT +ATOM 56161 H2 TIP3 16617 0.265 -17.615 33.490 1.00 0.00 WAT +ATOM 56162 OH2 TIP3 16618 -0.866 -21.654 37.878 1.00 0.00 WAT +ATOM 56163 H1 TIP3 16618 -1.404 -22.454 37.990 1.00 0.00 WAT +ATOM 56164 H2 TIP3 16618 -0.071 -21.997 37.447 1.00 0.00 WAT +ATOM 56165 OH2 TIP3 16619 2.892 -13.188 35.807 1.00 0.00 WAT +ATOM 56166 H1 TIP3 16619 2.159 -13.745 35.469 1.00 0.00 WAT +ATOM 56167 H2 TIP3 16619 2.752 -13.213 36.780 1.00 0.00 WAT +ATOM 56168 OH2 TIP3 16620 7.100 -20.402 33.569 1.00 0.00 WAT +ATOM 56169 H1 TIP3 16620 6.117 -20.429 33.558 1.00 0.00 WAT +ATOM 56170 H2 TIP3 16620 7.297 -19.691 34.215 1.00 0.00 WAT +ATOM 56171 OH2 TIP3 16621 7.783 -18.590 35.606 1.00 0.00 WAT +ATOM 56172 H1 TIP3 16621 8.644 -18.747 36.042 1.00 0.00 WAT +ATOM 56173 H2 TIP3 16621 7.897 -17.698 35.229 1.00 0.00 WAT +ATOM 56174 OH2 TIP3 16622 -2.052 -14.102 41.737 1.00 0.00 WAT +ATOM 56175 H1 TIP3 16622 -1.459 -14.020 40.974 1.00 0.00 WAT +ATOM 56176 H2 TIP3 16622 -1.558 -14.778 42.243 1.00 0.00 WAT +ATOM 56177 OH2 TIP3 16623 5.329 -11.868 34.719 1.00 0.00 WAT +ATOM 56178 H1 TIP3 16623 5.086 -11.019 35.136 1.00 0.00 WAT +ATOM 56179 H2 TIP3 16623 4.593 -12.434 35.008 1.00 0.00 WAT +ATOM 56180 OH2 TIP3 16624 12.370 -18.610 35.377 1.00 0.00 WAT +ATOM 56181 H1 TIP3 16624 11.798 -18.781 34.602 1.00 0.00 WAT +ATOM 56182 H2 TIP3 16624 12.490 -17.647 35.261 1.00 0.00 WAT +ATOM 56183 OH2 TIP3 16625 10.561 -9.974 35.479 1.00 0.00 WAT +ATOM 56184 H1 TIP3 16625 10.337 -10.743 36.023 1.00 0.00 WAT +ATOM 56185 H2 TIP3 16625 11.108 -10.356 34.778 1.00 0.00 WAT +ATOM 56186 OH2 TIP3 16626 7.387 -14.594 42.592 1.00 0.00 WAT +ATOM 56187 H1 TIP3 16626 6.494 -14.992 42.686 1.00 0.00 WAT +ATOM 56188 H2 TIP3 16626 7.829 -15.286 42.075 1.00 0.00 WAT +ATOM 56189 OH2 TIP3 16627 0.428 -10.583 38.691 1.00 0.00 WAT +ATOM 56190 H1 TIP3 16627 0.919 -9.752 38.774 1.00 0.00 WAT +ATOM 56191 H2 TIP3 16627 -0.472 -10.265 38.580 1.00 0.00 WAT +ATOM 56192 OH2 TIP3 16628 -3.558 -15.771 33.517 1.00 0.00 WAT +ATOM 56193 H1 TIP3 16628 -2.974 -15.093 33.903 1.00 0.00 WAT +ATOM 56194 H2 TIP3 16628 -4.435 -15.466 33.809 1.00 0.00 WAT +ATOM 56195 OH2 TIP3 16629 2.282 -12.856 38.567 1.00 0.00 WAT +ATOM 56196 H1 TIP3 16629 1.903 -11.963 38.606 1.00 0.00 WAT +ATOM 56197 H2 TIP3 16629 1.574 -13.393 38.955 1.00 0.00 WAT +ATOM 56198 OH2 TIP3 16630 0.895 -7.647 38.167 1.00 0.00 WAT +ATOM 56199 H1 TIP3 16630 -0.055 -7.508 38.111 1.00 0.00 WAT +ATOM 56200 H2 TIP3 16630 1.227 -6.757 38.404 1.00 0.00 WAT +ATOM 56201 OH2 TIP3 16631 8.026 -11.547 33.367 1.00 0.00 WAT +ATOM 56202 H1 TIP3 16631 8.447 -12.016 34.112 1.00 0.00 WAT +ATOM 56203 H2 TIP3 16631 7.096 -11.699 33.607 1.00 0.00 WAT +ATOM 56204 OH2 TIP3 16632 12.763 -7.297 33.907 1.00 0.00 WAT +ATOM 56205 H1 TIP3 16632 13.459 -6.653 33.691 1.00 0.00 WAT +ATOM 56206 H2 TIP3 16632 11.991 -6.701 33.894 1.00 0.00 WAT +ATOM 56207 OH2 TIP3 16633 8.989 -12.941 35.742 1.00 0.00 WAT +ATOM 56208 H1 TIP3 16633 8.707 -13.656 36.340 1.00 0.00 WAT +ATOM 56209 H2 TIP3 16633 9.956 -12.971 35.843 1.00 0.00 WAT +ATOM 56210 OH2 TIP3 16634 2.259 -10.498 31.948 1.00 0.00 WAT +ATOM 56211 H1 TIP3 16634 2.550 -11.263 31.419 1.00 0.00 WAT +ATOM 56212 H2 TIP3 16634 1.844 -10.940 32.706 1.00 0.00 WAT +ATOM 56213 OH2 TIP3 16635 1.057 -11.007 34.702 1.00 0.00 WAT +ATOM 56214 H1 TIP3 16635 1.636 -11.549 35.262 1.00 0.00 WAT +ATOM 56215 H2 TIP3 16635 1.263 -10.098 35.004 1.00 0.00 WAT +ATOM 56216 OH2 TIP3 16636 -2.109 -13.531 35.025 1.00 0.00 WAT +ATOM 56217 H1 TIP3 16636 -2.725 -13.125 35.654 1.00 0.00 WAT +ATOM 56218 H2 TIP3 16636 -1.567 -12.771 34.753 1.00 0.00 WAT +ATOM 56219 OH2 TIP3 16637 6.279 -21.647 36.338 1.00 0.00 WAT +ATOM 56220 H1 TIP3 16637 6.444 -21.084 35.567 1.00 0.00 WAT +ATOM 56221 H2 TIP3 16637 6.700 -21.135 37.055 1.00 0.00 WAT +ATOM 56222 OH2 TIP3 16638 4.062 -9.348 35.292 1.00 0.00 WAT +ATOM 56223 H1 TIP3 16638 3.243 -8.851 35.435 1.00 0.00 WAT +ATOM 56224 H2 TIP3 16638 4.424 -8.918 34.504 1.00 0.00 WAT +ATOM 56225 OH2 TIP3 16639 3.659 -19.641 37.274 1.00 0.00 WAT +ATOM 56226 H1 TIP3 16639 4.426 -19.046 37.422 1.00 0.00 WAT +ATOM 56227 H2 TIP3 16639 3.373 -19.818 38.191 1.00 0.00 WAT +ATOM 56228 OH2 TIP3 16640 4.214 -22.634 38.180 1.00 0.00 WAT +ATOM 56229 H1 TIP3 16640 4.122 -22.020 38.931 1.00 0.00 WAT +ATOM 56230 H2 TIP3 16640 4.982 -22.239 37.720 1.00 0.00 WAT +ATOM 56231 OH2 TIP3 16641 1.220 -8.283 35.282 1.00 0.00 WAT +ATOM 56232 H1 TIP3 16641 1.194 -7.471 34.733 1.00 0.00 WAT +ATOM 56233 H2 TIP3 16641 1.171 -7.927 36.185 1.00 0.00 WAT +ATOM 56234 OH2 TIP3 16642 -0.020 -21.630 34.756 1.00 0.00 WAT +ATOM 56235 H1 TIP3 16642 0.008 -20.854 35.341 1.00 0.00 WAT +ATOM 56236 H2 TIP3 16642 0.801 -22.092 35.021 1.00 0.00 WAT +ATOM 56237 OH2 TIP3 16643 8.779 -16.901 41.272 1.00 0.00 WAT +ATOM 56238 H1 TIP3 16643 7.895 -17.297 41.123 1.00 0.00 WAT +ATOM 56239 H2 TIP3 16643 9.226 -17.660 41.700 1.00 0.00 WAT +ATOM 56240 OH2 TIP3 16644 -1.641 -10.741 33.850 1.00 0.00 WAT +ATOM 56241 H1 TIP3 16644 -0.855 -10.298 34.222 1.00 0.00 WAT +ATOM 56242 H2 TIP3 16644 -1.197 -11.231 33.138 1.00 0.00 WAT +ATOM 56243 OH2 TIP3 16645 -3.485 -18.576 32.970 1.00 0.00 WAT +ATOM 56244 H1 TIP3 16645 -3.367 -17.628 33.170 1.00 0.00 WAT +ATOM 56245 H2 TIP3 16645 -4.304 -18.579 32.458 1.00 0.00 WAT +ATOM 56246 OH2 TIP3 16646 10.070 -7.016 43.127 1.00 0.00 WAT +ATOM 56247 H1 TIP3 16646 9.423 -7.246 42.454 1.00 0.00 WAT +ATOM 56248 H2 TIP3 16646 10.884 -7.449 42.849 1.00 0.00 WAT +ATOM 56249 OH2 TIP3 16647 -2.613 -23.544 41.716 1.00 0.00 WAT +ATOM 56250 H1 TIP3 16647 -2.733 -23.511 40.743 1.00 0.00 WAT +ATOM 56251 H2 TIP3 16647 -2.919 -24.432 41.936 1.00 0.00 WAT +ATOM 56252 OH2 TIP3 16648 4.487 -8.814 32.459 1.00 0.00 WAT +ATOM 56253 H1 TIP3 16648 3.739 -9.438 32.330 1.00 0.00 WAT +ATOM 56254 H2 TIP3 16648 5.209 -9.336 32.069 1.00 0.00 WAT +ATOM 56255 OH2 TIP3 16649 9.118 -8.888 32.555 1.00 0.00 WAT +ATOM 56256 H1 TIP3 16649 9.257 -9.707 33.059 1.00 0.00 WAT +ATOM 56257 H2 TIP3 16649 9.909 -8.865 31.986 1.00 0.00 WAT +ATOM 56258 OH2 TIP3 16650 -0.096 -13.061 32.294 1.00 0.00 WAT +ATOM 56259 H1 TIP3 16650 0.090 -13.684 33.016 1.00 0.00 WAT +ATOM 56260 H2 TIP3 16650 0.747 -13.104 31.800 1.00 0.00 WAT +ATOM 56261 OH2 TIP3 16651 5.130 -11.749 31.893 1.00 0.00 WAT +ATOM 56262 H1 TIP3 16651 5.115 -11.802 32.865 1.00 0.00 WAT +ATOM 56263 H2 TIP3 16651 5.099 -12.704 31.671 1.00 0.00 WAT +ATOM 56264 OH2 TIP3 16652 0.981 -14.987 34.620 1.00 0.00 WAT +ATOM 56265 H1 TIP3 16652 0.413 -15.543 35.170 1.00 0.00 WAT +ATOM 56266 H2 TIP3 16652 1.306 -15.644 33.968 1.00 0.00 WAT +ATOM 56267 OH2 TIP3 16653 1.953 -16.954 32.879 1.00 0.00 WAT +ATOM 56268 H1 TIP3 16653 1.897 -16.918 31.906 1.00 0.00 WAT +ATOM 56269 H2 TIP3 16653 2.918 -17.014 33.015 1.00 0.00 WAT +ATOM 56270 OH2 TIP3 16654 11.472 -14.458 32.191 1.00 0.00 WAT +ATOM 56271 H1 TIP3 16654 11.357 -14.883 31.328 1.00 0.00 WAT +ATOM 56272 H2 TIP3 16654 11.349 -13.514 31.949 1.00 0.00 WAT +ATOM 56273 OH2 TIP3 16655 1.708 -5.738 33.962 1.00 0.00 WAT +ATOM 56274 H1 TIP3 16655 2.664 -5.645 34.089 1.00 0.00 WAT +ATOM 56275 H2 TIP3 16655 1.603 -5.300 33.107 1.00 0.00 WAT +ATOM 56276 OH2 TIP3 16656 -4.372 -11.327 33.610 1.00 0.00 WAT +ATOM 56277 H1 TIP3 16656 -3.400 -11.177 33.631 1.00 0.00 WAT +ATOM 56278 H2 TIP3 16656 -4.431 -12.105 33.015 1.00 0.00 WAT +ATOM 56279 OH2 TIP3 16657 -5.272 -6.422 38.060 1.00 0.00 WAT +ATOM 56280 H1 TIP3 16657 -6.212 -6.404 37.818 1.00 0.00 WAT +ATOM 56281 H2 TIP3 16657 -5.297 -6.799 38.963 1.00 0.00 WAT +ATOM 56282 OH2 TIP3 16658 -4.889 -8.275 40.123 1.00 0.00 WAT +ATOM 56283 H1 TIP3 16658 -5.193 -9.121 40.499 1.00 0.00 WAT +ATOM 56284 H2 TIP3 16658 -4.634 -7.842 40.959 1.00 0.00 WAT +ATOM 56285 OH2 TIP3 16659 12.837 -6.666 42.734 1.00 0.00 WAT +ATOM 56286 H1 TIP3 16659 12.618 -6.851 43.663 1.00 0.00 WAT +ATOM 56287 H2 TIP3 16659 13.803 -6.754 42.759 1.00 0.00 WAT +ATOM 56288 OH2 TIP3 16660 11.856 -13.088 36.132 1.00 0.00 WAT +ATOM 56289 H1 TIP3 16660 12.764 -12.772 36.301 1.00 0.00 WAT +ATOM 56290 H2 TIP3 16660 11.760 -13.725 36.862 1.00 0.00 WAT +ATOM 56291 OH2 TIP3 16661 12.350 -15.151 38.122 1.00 0.00 WAT +ATOM 56292 H1 TIP3 16661 11.646 -15.686 38.541 1.00 0.00 WAT +ATOM 56293 H2 TIP3 16661 12.999 -15.040 38.845 1.00 0.00 WAT +ATOM 56294 OH2 TIP3 16662 12.077 -12.787 43.307 1.00 0.00 WAT +ATOM 56295 H1 TIP3 16662 12.652 -13.324 42.751 1.00 0.00 WAT +ATOM 56296 H2 TIP3 16662 12.096 -11.927 42.869 1.00 0.00 WAT +ATOM 56297 OH2 TIP3 16663 12.581 -15.683 34.679 1.00 0.00 WAT +ATOM 56298 H1 TIP3 16663 12.059 -15.397 33.907 1.00 0.00 WAT +ATOM 56299 H2 TIP3 16663 12.438 -14.940 35.285 1.00 0.00 WAT +ATOM 56300 OH2 TIP3 16664 10.849 -18.127 32.949 1.00 0.00 WAT +ATOM 56301 H1 TIP3 16664 11.093 -17.531 32.228 1.00 0.00 WAT +ATOM 56302 H2 TIP3 16664 10.598 -18.943 32.474 1.00 0.00 WAT +ATOM 56303 OH2 TIP3 16665 10.263 -16.997 38.927 1.00 0.00 WAT +ATOM 56304 H1 TIP3 16665 10.168 -17.949 38.765 1.00 0.00 WAT +ATOM 56305 H2 TIP3 16665 9.834 -16.900 39.804 1.00 0.00 WAT +ATOM 56306 OH2 TIP3 16666 -4.919 -15.052 42.629 1.00 0.00 WAT +ATOM 56307 H1 TIP3 16666 -4.522 -14.850 41.766 1.00 0.00 WAT +ATOM 56308 H2 TIP3 16666 -4.132 -15.156 43.193 1.00 0.00 WAT +ATOM 56309 OH2 TIP3 16667 10.319 -20.787 32.139 1.00 0.00 WAT +ATOM 56310 H1 TIP3 16667 10.880 -21.278 32.765 1.00 0.00 WAT +ATOM 56311 H2 TIP3 16667 9.502 -21.306 32.099 1.00 0.00 WAT +ATOM 56312 OH2 TIP3 16668 10.121 -19.491 37.094 1.00 0.00 WAT +ATOM 56313 H1 TIP3 16668 10.348 -20.442 37.157 1.00 0.00 WAT +ATOM 56314 H2 TIP3 16668 10.933 -19.140 36.689 1.00 0.00 WAT +ATOM 56315 OH2 TIP3 16669 10.321 -18.931 42.236 1.00 0.00 WAT +ATOM 56316 H1 TIP3 16669 11.258 -18.792 42.443 1.00 0.00 WAT +ATOM 56317 H2 TIP3 16669 9.862 -18.866 43.091 1.00 0.00 WAT +ATOM 56318 OH2 TIP3 16670 10.600 -22.303 37.059 1.00 0.00 WAT +ATOM 56319 H1 TIP3 16670 10.675 -22.600 37.984 1.00 0.00 WAT +ATOM 56320 H2 TIP3 16670 9.790 -22.774 36.775 1.00 0.00 WAT +ATOM 56321 OH2 TIP3 16671 -4.172 -20.983 41.934 1.00 0.00 WAT +ATOM 56322 H1 TIP3 16671 -3.851 -21.895 42.030 1.00 0.00 WAT +ATOM 56323 H2 TIP3 16671 -3.586 -20.527 42.548 1.00 0.00 WAT +ATOM 56324 OH2 TIP3 16672 -5.782 -18.120 43.016 1.00 0.00 WAT +ATOM 56325 H1 TIP3 16672 -5.331 -18.504 42.246 1.00 0.00 WAT +ATOM 56326 H2 TIP3 16672 -5.476 -17.196 42.971 1.00 0.00 WAT +ATOM 56327 OH2 TIP3 16673 12.548 -21.819 33.742 1.00 0.00 WAT +ATOM 56328 H1 TIP3 16673 12.875 -22.614 33.288 1.00 0.00 WAT +ATOM 56329 H2 TIP3 16673 13.356 -21.288 33.834 1.00 0.00 WAT +ATOM 56330 OH2 TIP3 16674 -5.197 -22.093 36.933 1.00 0.00 WAT +ATOM 56331 H1 TIP3 16674 -6.143 -22.035 36.716 1.00 0.00 WAT +ATOM 56332 H2 TIP3 16674 -4.784 -21.487 36.287 1.00 0.00 WAT +ATOM 56333 OH2 TIP3 16675 9.449 -6.827 39.080 1.00 0.00 WAT +ATOM 56334 H1 TIP3 16675 9.857 -7.079 38.232 1.00 0.00 WAT +ATOM 56335 H2 TIP3 16675 10.177 -6.351 39.493 1.00 0.00 WAT +ATOM 56336 OH2 TIP3 16676 -3.508 -7.764 42.592 1.00 0.00 WAT +ATOM 56337 H1 TIP3 16676 -3.171 -7.743 43.514 1.00 0.00 WAT +ATOM 56338 H2 TIP3 16676 -2.673 -7.990 42.131 1.00 0.00 WAT +ATOM 56339 OH2 TIP3 16677 -1.326 -8.661 41.125 1.00 0.00 WAT +ATOM 56340 H1 TIP3 16677 -1.421 -9.591 41.420 1.00 0.00 WAT +ATOM 56341 H2 TIP3 16677 -0.414 -8.467 41.435 1.00 0.00 WAT +ATOM 56342 OH2 TIP3 16678 1.311 -8.208 42.137 1.00 0.00 WAT +ATOM 56343 H1 TIP3 16678 1.661 -9.057 41.825 1.00 0.00 WAT +ATOM 56344 H2 TIP3 16678 1.492 -8.282 43.082 1.00 0.00 WAT +ATOM 56345 OH2 TIP3 16679 4.692 -22.199 41.229 1.00 0.00 WAT +ATOM 56346 H1 TIP3 16679 4.108 -22.923 41.525 1.00 0.00 WAT +ATOM 56347 H2 TIP3 16679 5.405 -22.686 40.777 1.00 0.00 WAT +ATOM 56348 OH2 TIP3 16680 9.801 -24.092 41.492 1.00 0.00 WAT +ATOM 56349 H1 TIP3 16680 10.468 -23.610 40.968 1.00 0.00 WAT +ATOM 56350 H2 TIP3 16680 8.961 -23.815 41.094 1.00 0.00 WAT +ATOM 56351 OH2 TIP3 16681 11.773 -23.121 39.613 1.00 0.00 WAT +ATOM 56352 H1 TIP3 16681 12.503 -23.524 39.112 1.00 0.00 WAT +ATOM 56353 H2 TIP3 16681 12.083 -22.204 39.739 1.00 0.00 WAT +ATOM 56354 OH2 TIP3 16682 -2.921 -23.567 38.906 1.00 0.00 WAT +ATOM 56355 H1 TIP3 16682 -3.766 -23.695 38.432 1.00 0.00 WAT +ATOM 56356 H2 TIP3 16682 -2.473 -24.413 38.726 1.00 0.00 WAT +ATOM 56357 OH2 TIP3 16683 -4.072 -24.079 34.782 1.00 0.00 WAT +ATOM 56358 H1 TIP3 16683 -3.574 -23.421 34.258 1.00 0.00 WAT +ATOM 56359 H2 TIP3 16683 -4.506 -23.520 35.446 1.00 0.00 WAT +ATOM 56360 OH2 TIP3 16684 1.603 -23.812 38.918 1.00 0.00 WAT +ATOM 56361 H1 TIP3 16684 2.469 -23.423 38.710 1.00 0.00 WAT +ATOM 56362 H2 TIP3 16684 1.664 -23.890 39.881 1.00 0.00 WAT +ATOM 56363 OH2 TIP3 16685 7.093 -23.658 40.069 1.00 0.00 WAT +ATOM 56364 H1 TIP3 16685 7.421 -23.899 39.194 1.00 0.00 WAT +ATOM 56365 H2 TIP3 16685 6.804 -24.512 40.426 1.00 0.00 WAT +ATOM 56366 OH2 TIP3 16686 8.277 -23.692 36.145 1.00 0.00 WAT +ATOM 56367 H1 TIP3 16686 7.465 -23.155 36.058 1.00 0.00 WAT +ATOM 56368 H2 TIP3 16686 7.904 -24.581 36.274 1.00 0.00 WAT +ATOM 56369 OH2 TIP3 16687 -2.390 -22.281 33.238 1.00 0.00 WAT +ATOM 56370 H1 TIP3 16687 -1.775 -22.787 32.681 1.00 0.00 WAT +ATOM 56371 H2 TIP3 16687 -1.780 -21.923 33.911 1.00 0.00 WAT +ATOM 56372 OH2 TIP3 16688 2.694 -22.069 35.850 1.00 0.00 WAT +ATOM 56373 H1 TIP3 16688 3.105 -22.611 36.544 1.00 0.00 WAT +ATOM 56374 H2 TIP3 16688 2.909 -21.186 36.193 1.00 0.00 WAT +ATOM 56375 OH2 TIP3 16689 4.756 -6.277 34.059 1.00 0.00 WAT +ATOM 56376 H1 TIP3 16689 5.730 -6.257 34.006 1.00 0.00 WAT +ATOM 56377 H2 TIP3 16689 4.565 -6.934 33.368 1.00 0.00 WAT +ATOM 56378 OH2 TIP3 16690 11.237 -7.243 36.644 1.00 0.00 WAT +ATOM 56379 H1 TIP3 16690 11.031 -8.093 36.203 1.00 0.00 WAT +ATOM 56380 H2 TIP3 16690 11.254 -6.639 35.885 1.00 0.00 WAT +ATOM 56381 OH2 TIP3 16691 -2.560 -7.233 32.817 1.00 0.00 WAT +ATOM 56382 H1 TIP3 16691 -2.608 -6.790 33.675 1.00 0.00 WAT +ATOM 56383 H2 TIP3 16691 -1.719 -7.721 32.866 1.00 0.00 WAT +ATOM 56384 OH2 TIP3 16692 24.870 -14.843 39.246 1.00 0.00 WAT +ATOM 56385 H1 TIP3 16692 24.960 -13.876 39.299 1.00 0.00 WAT +ATOM 56386 H2 TIP3 16692 24.206 -14.930 38.547 1.00 0.00 WAT +ATOM 56387 OH2 TIP3 16693 23.844 -15.442 42.471 1.00 0.00 WAT +ATOM 56388 H1 TIP3 16693 23.806 -16.213 43.059 1.00 0.00 WAT +ATOM 56389 H2 TIP3 16693 23.766 -15.840 41.594 1.00 0.00 WAT +ATOM 56390 OH2 TIP3 16694 27.409 -12.685 40.381 1.00 0.00 WAT +ATOM 56391 H1 TIP3 16694 27.018 -13.346 40.973 1.00 0.00 WAT +ATOM 56392 H2 TIP3 16694 27.773 -12.085 41.071 1.00 0.00 WAT +ATOM 56393 OH2 TIP3 16695 16.974 -11.208 42.472 1.00 0.00 WAT +ATOM 56394 H1 TIP3 16695 16.720 -12.119 42.239 1.00 0.00 WAT +ATOM 56395 H2 TIP3 16695 17.937 -11.345 42.565 1.00 0.00 WAT +ATOM 56396 OH2 TIP3 16696 13.944 -17.711 37.778 1.00 0.00 WAT +ATOM 56397 H1 TIP3 16696 13.513 -16.844 37.868 1.00 0.00 WAT +ATOM 56398 H2 TIP3 16696 13.228 -18.242 37.410 1.00 0.00 WAT +ATOM 56399 OH2 TIP3 16697 14.703 -15.350 39.767 1.00 0.00 WAT +ATOM 56400 H1 TIP3 16697 14.908 -16.142 40.296 1.00 0.00 WAT +ATOM 56401 H2 TIP3 16697 15.515 -15.245 39.257 1.00 0.00 WAT +ATOM 56402 OH2 TIP3 16698 24.468 -7.275 41.126 1.00 0.00 WAT +ATOM 56403 H1 TIP3 16698 25.102 -7.949 40.825 1.00 0.00 WAT +ATOM 56404 H2 TIP3 16698 24.222 -7.583 42.012 1.00 0.00 WAT +ATOM 56405 OH2 TIP3 16699 21.900 -13.161 42.796 1.00 0.00 WAT +ATOM 56406 H1 TIP3 16699 22.332 -13.824 42.234 1.00 0.00 WAT +ATOM 56407 H2 TIP3 16699 22.709 -12.786 43.204 1.00 0.00 WAT +ATOM 56408 OH2 TIP3 16700 25.367 -18.419 43.223 1.00 0.00 WAT +ATOM 56409 H1 TIP3 16700 25.823 -19.256 43.407 1.00 0.00 WAT +ATOM 56410 H2 TIP3 16700 25.463 -18.332 42.257 1.00 0.00 WAT +ATOM 56411 OH2 TIP3 16701 18.503 -20.532 40.428 1.00 0.00 WAT +ATOM 56412 H1 TIP3 16701 18.675 -19.688 39.973 1.00 0.00 WAT +ATOM 56413 H2 TIP3 16701 18.185 -21.061 39.668 1.00 0.00 WAT +ATOM 56414 OH2 TIP3 16702 26.415 -20.319 38.704 1.00 0.00 WAT +ATOM 56415 H1 TIP3 16702 26.980 -20.757 39.381 1.00 0.00 WAT +ATOM 56416 H2 TIP3 16702 27.092 -19.901 38.151 1.00 0.00 WAT +ATOM 56417 OH2 TIP3 16703 15.507 -17.869 40.995 1.00 0.00 WAT +ATOM 56418 H1 TIP3 16703 15.919 -18.540 41.542 1.00 0.00 WAT +ATOM 56419 H2 TIP3 16703 15.490 -18.314 40.128 1.00 0.00 WAT +ATOM 56420 OH2 TIP3 16704 20.532 -16.461 40.570 1.00 0.00 WAT +ATOM 56421 H1 TIP3 16704 21.296 -17.005 40.832 1.00 0.00 WAT +ATOM 56422 H2 TIP3 16704 20.103 -17.041 39.912 1.00 0.00 WAT +ATOM 56423 OH2 TIP3 16705 24.844 -11.982 37.932 1.00 0.00 WAT +ATOM 56424 H1 TIP3 16705 24.564 -12.175 37.034 1.00 0.00 WAT +ATOM 56425 H2 TIP3 16705 24.412 -11.127 38.109 1.00 0.00 WAT +ATOM 56426 OH2 TIP3 16706 28.201 -21.115 40.717 1.00 0.00 WAT +ATOM 56427 H1 TIP3 16706 27.974 -21.789 41.378 1.00 0.00 WAT +ATOM 56428 H2 TIP3 16706 28.716 -20.512 41.285 1.00 0.00 WAT +ATOM 56429 OH2 TIP3 16707 17.716 -19.631 42.971 1.00 0.00 WAT +ATOM 56430 H1 TIP3 16707 17.590 -18.699 42.763 1.00 0.00 WAT +ATOM 56431 H2 TIP3 16707 17.721 -20.064 42.094 1.00 0.00 WAT +ATOM 56432 OH2 TIP3 16708 14.620 -12.262 36.267 1.00 0.00 WAT +ATOM 56433 H1 TIP3 16708 14.413 -11.764 35.458 1.00 0.00 WAT +ATOM 56434 H2 TIP3 16708 14.781 -11.560 36.931 1.00 0.00 WAT +ATOM 56435 OH2 TIP3 16709 28.143 -11.355 42.582 1.00 0.00 WAT +ATOM 56436 H1 TIP3 16709 27.530 -11.475 43.333 1.00 0.00 WAT +ATOM 56437 H2 TIP3 16709 28.871 -10.885 42.997 1.00 0.00 WAT +ATOM 56438 OH2 TIP3 16710 21.473 -24.155 41.783 1.00 0.00 WAT +ATOM 56439 H1 TIP3 16710 21.427 -25.125 41.824 1.00 0.00 WAT +ATOM 56440 H2 TIP3 16710 20.638 -23.903 42.224 1.00 0.00 WAT +ATOM 56441 OH2 TIP3 16711 26.371 -8.862 39.630 1.00 0.00 WAT +ATOM 56442 H1 TIP3 16711 26.837 -9.673 39.343 1.00 0.00 WAT +ATOM 56443 H2 TIP3 16711 27.051 -8.185 39.455 1.00 0.00 WAT +ATOM 56444 OH2 TIP3 16712 27.815 -11.015 38.210 1.00 0.00 WAT +ATOM 56445 H1 TIP3 16712 27.295 -11.495 37.551 1.00 0.00 WAT +ATOM 56446 H2 TIP3 16712 27.769 -11.641 38.963 1.00 0.00 WAT +ATOM 56447 OH2 TIP3 16713 23.614 -15.282 36.427 1.00 0.00 WAT +ATOM 56448 H1 TIP3 16713 22.956 -14.691 36.016 1.00 0.00 WAT +ATOM 56449 H2 TIP3 16713 24.336 -15.255 35.776 1.00 0.00 WAT +ATOM 56450 OH2 TIP3 16714 23.897 -17.100 33.468 1.00 0.00 WAT +ATOM 56451 H1 TIP3 16714 24.596 -16.787 34.072 1.00 0.00 WAT +ATOM 56452 H2 TIP3 16714 24.410 -17.680 32.886 1.00 0.00 WAT +ATOM 56453 OH2 TIP3 16715 27.100 -15.300 37.501 1.00 0.00 WAT +ATOM 56454 H1 TIP3 16715 26.460 -15.071 38.206 1.00 0.00 WAT +ATOM 56455 H2 TIP3 16715 27.738 -15.846 37.998 1.00 0.00 WAT +ATOM 56456 OH2 TIP3 16716 18.726 -14.483 39.257 1.00 0.00 WAT +ATOM 56457 H1 TIP3 16716 18.368 -14.928 38.464 1.00 0.00 WAT +ATOM 56458 H2 TIP3 16716 19.316 -15.158 39.627 1.00 0.00 WAT +ATOM 56459 OH2 TIP3 16717 19.706 -11.385 41.588 1.00 0.00 WAT +ATOM 56460 H1 TIP3 16717 19.956 -11.719 40.716 1.00 0.00 WAT +ATOM 56461 H2 TIP3 16717 20.545 -11.392 42.068 1.00 0.00 WAT +ATOM 56462 OH2 TIP3 16718 18.906 -15.671 42.719 1.00 0.00 WAT +ATOM 56463 H1 TIP3 16718 19.553 -15.812 42.000 1.00 0.00 WAT +ATOM 56464 H2 TIP3 16718 19.475 -15.400 43.448 1.00 0.00 WAT +ATOM 56465 OH2 TIP3 16719 26.063 -15.820 34.939 1.00 0.00 WAT +ATOM 56466 H1 TIP3 16719 26.543 -15.567 35.756 1.00 0.00 WAT +ATOM 56467 H2 TIP3 16719 26.570 -15.309 34.261 1.00 0.00 WAT +ATOM 56468 OH2 TIP3 16720 23.521 -9.245 38.528 1.00 0.00 WAT +ATOM 56469 H1 TIP3 16720 24.021 -8.919 39.285 1.00 0.00 WAT +ATOM 56470 H2 TIP3 16720 23.040 -8.457 38.232 1.00 0.00 WAT +ATOM 56471 OH2 TIP3 16721 29.463 -24.171 34.534 1.00 0.00 WAT +ATOM 56472 H1 TIP3 16721 28.631 -23.916 34.973 1.00 0.00 WAT +ATOM 56473 H2 TIP3 16721 29.868 -23.304 34.351 1.00 0.00 WAT +ATOM 56474 OH2 TIP3 16722 17.633 -15.762 36.823 1.00 0.00 WAT +ATOM 56475 H1 TIP3 16722 17.433 -15.017 36.229 1.00 0.00 WAT +ATOM 56476 H2 TIP3 16722 16.995 -16.426 36.529 1.00 0.00 WAT +ATOM 56477 OH2 TIP3 16723 30.921 -9.955 32.929 1.00 0.00 WAT +ATOM 56478 H1 TIP3 16723 31.075 -9.033 33.216 1.00 0.00 WAT +ATOM 56479 H2 TIP3 16723 31.769 -10.378 33.176 1.00 0.00 WAT +ATOM 56480 OH2 TIP3 16724 13.837 -10.343 42.384 1.00 0.00 WAT +ATOM 56481 H1 TIP3 16724 14.803 -10.397 42.431 1.00 0.00 WAT +ATOM 56482 H2 TIP3 16724 13.656 -9.529 42.869 1.00 0.00 WAT +ATOM 56483 OH2 TIP3 16725 23.091 -6.530 36.993 1.00 0.00 WAT +ATOM 56484 H1 TIP3 16725 23.086 -6.406 36.029 1.00 0.00 WAT +ATOM 56485 H2 TIP3 16725 23.100 -5.619 37.328 1.00 0.00 WAT +ATOM 56486 OH2 TIP3 16726 16.883 -7.387 38.621 1.00 0.00 WAT +ATOM 56487 H1 TIP3 16726 17.033 -7.848 39.470 1.00 0.00 WAT +ATOM 56488 H2 TIP3 16726 16.048 -7.781 38.333 1.00 0.00 WAT +ATOM 56489 OH2 TIP3 16727 26.368 -7.115 34.163 1.00 0.00 WAT +ATOM 56490 H1 TIP3 16727 26.953 -7.770 33.736 1.00 0.00 WAT +ATOM 56491 H2 TIP3 16727 26.320 -7.469 35.075 1.00 0.00 WAT +ATOM 56492 OH2 TIP3 16728 25.775 -7.669 36.973 1.00 0.00 WAT +ATOM 56493 H1 TIP3 16728 24.825 -7.522 37.132 1.00 0.00 WAT +ATOM 56494 H2 TIP3 16728 25.946 -8.386 37.607 1.00 0.00 WAT +ATOM 56495 OH2 TIP3 16729 19.032 -23.257 42.912 1.00 0.00 WAT +ATOM 56496 H1 TIP3 16729 18.196 -23.366 42.423 1.00 0.00 WAT +ATOM 56497 H2 TIP3 16729 19.076 -22.296 43.058 1.00 0.00 WAT +ATOM 56498 OH2 TIP3 16730 27.628 -14.754 32.949 1.00 0.00 WAT +ATOM 56499 H1 TIP3 16730 27.436 -14.944 32.011 1.00 0.00 WAT +ATOM 56500 H2 TIP3 16730 28.574 -14.532 32.906 1.00 0.00 WAT +ATOM 56501 OH2 TIP3 16731 23.244 -20.973 33.446 1.00 0.00 WAT +ATOM 56502 H1 TIP3 16731 22.773 -21.125 34.277 1.00 0.00 WAT +ATOM 56503 H2 TIP3 16731 22.856 -21.666 32.885 1.00 0.00 WAT +ATOM 56504 OH2 TIP3 16732 18.922 -18.201 38.839 1.00 0.00 WAT +ATOM 56505 H1 TIP3 16732 17.965 -18.286 38.674 1.00 0.00 WAT +ATOM 56506 H2 TIP3 16732 19.268 -18.428 37.952 1.00 0.00 WAT +ATOM 56507 OH2 TIP3 16733 24.495 -17.648 37.632 1.00 0.00 WAT +ATOM 56508 H1 TIP3 16733 24.093 -16.831 37.267 1.00 0.00 WAT +ATOM 56509 H2 TIP3 16733 25.197 -17.818 36.980 1.00 0.00 WAT +ATOM 56510 OH2 TIP3 16734 25.290 -18.244 40.422 1.00 0.00 WAT +ATOM 56511 H1 TIP3 16734 25.019 -17.686 39.666 1.00 0.00 WAT +ATOM 56512 H2 TIP3 16734 25.519 -19.062 39.935 1.00 0.00 WAT +ATOM 56513 OH2 TIP3 16735 19.703 -20.537 32.349 1.00 0.00 WAT +ATOM 56514 H1 TIP3 16735 19.341 -20.894 33.185 1.00 0.00 WAT +ATOM 56515 H2 TIP3 16735 18.904 -20.402 31.824 1.00 0.00 WAT +ATOM 56516 OH2 TIP3 16736 13.193 -20.604 39.421 1.00 0.00 WAT +ATOM 56517 H1 TIP3 16736 13.742 -20.707 40.218 1.00 0.00 WAT +ATOM 56518 H2 TIP3 16736 13.687 -21.070 38.731 1.00 0.00 WAT +ATOM 56519 OH2 TIP3 16737 14.735 -20.234 35.131 1.00 0.00 WAT +ATOM 56520 H1 TIP3 16737 15.278 -19.743 34.481 1.00 0.00 WAT +ATOM 56521 H2 TIP3 16737 14.035 -19.583 35.317 1.00 0.00 WAT +ATOM 56522 OH2 TIP3 16738 21.590 -20.581 39.840 1.00 0.00 WAT +ATOM 56523 H1 TIP3 16738 20.657 -20.687 40.089 1.00 0.00 WAT +ATOM 56524 H2 TIP3 16738 22.046 -20.854 40.654 1.00 0.00 WAT +ATOM 56525 OH2 TIP3 16739 16.229 -19.385 38.537 1.00 0.00 WAT +ATOM 56526 H1 TIP3 16739 15.408 -19.110 38.089 1.00 0.00 WAT +ATOM 56527 H2 TIP3 16739 16.504 -20.172 38.031 1.00 0.00 WAT +ATOM 56528 OH2 TIP3 16740 19.864 -19.063 36.215 1.00 0.00 WAT +ATOM 56529 H1 TIP3 16740 20.833 -18.989 36.257 1.00 0.00 WAT +ATOM 56530 H2 TIP3 16740 19.614 -18.472 35.483 1.00 0.00 WAT +ATOM 56531 OH2 TIP3 16741 26.026 -21.939 42.789 1.00 0.00 WAT +ATOM 56532 H1 TIP3 16741 25.676 -21.632 43.639 1.00 0.00 WAT +ATOM 56533 H2 TIP3 16741 25.257 -21.895 42.202 1.00 0.00 WAT +ATOM 56534 OH2 TIP3 16742 18.324 -17.827 33.993 1.00 0.00 WAT +ATOM 56535 H1 TIP3 16742 17.725 -18.101 33.282 1.00 0.00 WAT +ATOM 56536 H2 TIP3 16742 19.129 -17.620 33.488 1.00 0.00 WAT +ATOM 56537 OH2 TIP3 16743 22.544 -18.218 41.927 1.00 0.00 WAT +ATOM 56538 H1 TIP3 16743 23.259 -18.519 41.344 1.00 0.00 WAT +ATOM 56539 H2 TIP3 16743 22.613 -18.860 42.649 1.00 0.00 WAT +ATOM 56540 OH2 TIP3 16744 18.000 -21.663 37.872 1.00 0.00 WAT +ATOM 56541 H1 TIP3 16744 17.437 -22.446 37.995 1.00 0.00 WAT +ATOM 56542 H2 TIP3 16744 18.784 -22.032 37.445 1.00 0.00 WAT +ATOM 56543 OH2 TIP3 16745 21.770 -13.219 35.820 1.00 0.00 WAT +ATOM 56544 H1 TIP3 16745 21.022 -13.745 35.463 1.00 0.00 WAT +ATOM 56545 H2 TIP3 16745 21.599 -13.225 36.786 1.00 0.00 WAT +ATOM 56546 OH2 TIP3 16746 25.930 -20.422 33.621 1.00 0.00 WAT +ATOM 56547 H1 TIP3 16746 24.949 -20.410 33.567 1.00 0.00 WAT +ATOM 56548 H2 TIP3 16746 26.138 -19.677 34.219 1.00 0.00 WAT +ATOM 56549 OH2 TIP3 16747 26.621 -18.566 35.666 1.00 0.00 WAT +ATOM 56550 H1 TIP3 16747 27.504 -18.752 36.042 1.00 0.00 WAT +ATOM 56551 H2 TIP3 16747 26.757 -17.707 35.229 1.00 0.00 WAT +ATOM 56552 OH2 TIP3 16748 16.800 -14.098 41.757 1.00 0.00 WAT +ATOM 56553 H1 TIP3 16748 17.359 -14.008 40.971 1.00 0.00 WAT +ATOM 56554 H2 TIP3 16748 17.269 -14.815 42.224 1.00 0.00 WAT +ATOM 56555 OH2 TIP3 16749 24.183 -11.871 34.741 1.00 0.00 WAT +ATOM 56556 H1 TIP3 16749 23.922 -11.010 35.126 1.00 0.00 WAT +ATOM 56557 H2 TIP3 16749 23.433 -12.428 35.017 1.00 0.00 WAT +ATOM 56558 OH2 TIP3 16750 31.213 -18.611 35.376 1.00 0.00 WAT +ATOM 56559 H1 TIP3 16750 30.649 -18.797 34.600 1.00 0.00 WAT +ATOM 56560 H2 TIP3 16750 31.333 -17.649 35.248 1.00 0.00 WAT +ATOM 56561 OH2 TIP3 16751 29.329 -10.018 35.403 1.00 0.00 WAT +ATOM 56562 H1 TIP3 16751 29.197 -10.730 36.045 1.00 0.00 WAT +ATOM 56563 H2 TIP3 16751 30.028 -10.365 34.834 1.00 0.00 WAT +ATOM 56564 OH2 TIP3 16752 26.527 -14.461 42.459 1.00 0.00 WAT +ATOM 56565 H1 TIP3 16752 25.650 -14.803 42.701 1.00 0.00 WAT +ATOM 56566 H2 TIP3 16752 26.927 -15.229 42.008 1.00 0.00 WAT +ATOM 56567 OH2 TIP3 16753 19.317 -10.579 38.730 1.00 0.00 WAT +ATOM 56568 H1 TIP3 16753 19.718 -9.694 38.726 1.00 0.00 WAT +ATOM 56569 H2 TIP3 16753 18.380 -10.367 38.635 1.00 0.00 WAT +ATOM 56570 OH2 TIP3 16754 15.296 -15.764 33.508 1.00 0.00 WAT +ATOM 56571 H1 TIP3 16754 15.869 -15.085 33.908 1.00 0.00 WAT +ATOM 56572 H2 TIP3 16754 14.420 -15.501 33.849 1.00 0.00 WAT +ATOM 56573 OH2 TIP3 16755 21.132 -12.870 38.632 1.00 0.00 WAT +ATOM 56574 H1 TIP3 16755 20.800 -11.957 38.615 1.00 0.00 WAT +ATOM 56575 H2 TIP3 16755 20.349 -13.357 38.934 1.00 0.00 WAT +ATOM 56576 OH2 TIP3 16756 19.751 -7.653 38.133 1.00 0.00 WAT +ATOM 56577 H1 TIP3 16756 18.794 -7.496 38.193 1.00 0.00 WAT +ATOM 56578 H2 TIP3 16756 20.103 -6.776 38.386 1.00 0.00 WAT +ATOM 56579 OH2 TIP3 16757 26.864 -11.557 33.359 1.00 0.00 WAT +ATOM 56580 H1 TIP3 16757 27.313 -11.992 34.107 1.00 0.00 WAT +ATOM 56581 H2 TIP3 16757 25.944 -11.709 33.631 1.00 0.00 WAT +ATOM 56582 OH2 TIP3 16758 31.595 -7.286 33.866 1.00 0.00 WAT +ATOM 56583 H1 TIP3 16758 32.311 -6.642 33.726 1.00 0.00 WAT +ATOM 56584 H2 TIP3 16758 30.838 -6.674 33.887 1.00 0.00 WAT +ATOM 56585 OH2 TIP3 16759 27.848 -12.957 35.744 1.00 0.00 WAT +ATOM 56586 H1 TIP3 16759 27.590 -13.675 36.347 1.00 0.00 WAT +ATOM 56587 H2 TIP3 16759 28.816 -12.958 35.836 1.00 0.00 WAT +ATOM 56588 OH2 TIP3 16760 21.123 -10.510 31.934 1.00 0.00 WAT +ATOM 56589 H1 TIP3 16760 21.410 -11.307 31.451 1.00 0.00 WAT +ATOM 56590 H2 TIP3 16760 20.695 -10.904 32.714 1.00 0.00 WAT +ATOM 56591 OH2 TIP3 16761 19.968 -10.992 34.641 1.00 0.00 WAT +ATOM 56592 H1 TIP3 16761 20.474 -11.523 35.274 1.00 0.00 WAT +ATOM 56593 H2 TIP3 16761 20.109 -10.081 34.976 1.00 0.00 WAT +ATOM 56594 OH2 TIP3 16762 16.812 -13.552 35.047 1.00 0.00 WAT +ATOM 56595 H1 TIP3 16762 16.078 -13.172 35.571 1.00 0.00 WAT +ATOM 56596 H2 TIP3 16762 17.274 -12.743 34.768 1.00 0.00 WAT +ATOM 56597 OH2 TIP3 16763 25.101 -21.639 36.322 1.00 0.00 WAT +ATOM 56598 H1 TIP3 16763 25.301 -21.122 35.525 1.00 0.00 WAT +ATOM 56599 H2 TIP3 16763 25.557 -21.127 37.012 1.00 0.00 WAT +ATOM 56600 OH2 TIP3 16764 22.908 -9.378 35.278 1.00 0.00 WAT +ATOM 56601 H1 TIP3 16764 22.097 -8.877 35.462 1.00 0.00 WAT +ATOM 56602 H2 TIP3 16764 23.279 -8.886 34.534 1.00 0.00 WAT +ATOM 56603 OH2 TIP3 16765 22.517 -19.651 37.262 1.00 0.00 WAT +ATOM 56604 H1 TIP3 16765 23.280 -19.056 37.415 1.00 0.00 WAT +ATOM 56605 H2 TIP3 16765 22.216 -19.827 38.174 1.00 0.00 WAT +ATOM 56606 OH2 TIP3 16766 23.081 -22.643 38.188 1.00 0.00 WAT +ATOM 56607 H1 TIP3 16766 22.943 -21.988 38.896 1.00 0.00 WAT +ATOM 56608 H2 TIP3 16766 23.831 -22.238 37.706 1.00 0.00 WAT +ATOM 56609 OH2 TIP3 16767 20.115 -8.292 35.278 1.00 0.00 WAT +ATOM 56610 H1 TIP3 16767 20.052 -7.476 34.736 1.00 0.00 WAT +ATOM 56611 H2 TIP3 16767 19.978 -7.947 36.179 1.00 0.00 WAT +ATOM 56612 OH2 TIP3 16768 18.841 -21.627 34.749 1.00 0.00 WAT +ATOM 56613 H1 TIP3 16768 18.848 -20.859 35.345 1.00 0.00 WAT +ATOM 56614 H2 TIP3 16768 19.659 -22.086 35.025 1.00 0.00 WAT +ATOM 56615 OH2 TIP3 16769 27.604 -16.848 41.406 1.00 0.00 WAT +ATOM 56616 H1 TIP3 16769 26.832 -17.334 41.068 1.00 0.00 WAT +ATOM 56617 H2 TIP3 16769 28.177 -17.587 41.720 1.00 0.00 WAT +ATOM 56618 OH2 TIP3 16770 17.235 -10.744 33.805 1.00 0.00 WAT +ATOM 56619 H1 TIP3 16770 17.974 -10.259 34.212 1.00 0.00 WAT +ATOM 56620 H2 TIP3 16770 17.730 -11.246 33.138 1.00 0.00 WAT +ATOM 56621 OH2 TIP3 16771 15.384 -18.561 32.930 1.00 0.00 WAT +ATOM 56622 H1 TIP3 16771 15.493 -17.619 33.164 1.00 0.00 WAT +ATOM 56623 H2 TIP3 16771 14.512 -18.564 32.516 1.00 0.00 WAT +ATOM 56624 OH2 TIP3 16772 28.941 -7.098 43.172 1.00 0.00 WAT +ATOM 56625 H1 TIP3 16772 28.339 -7.180 42.426 1.00 0.00 WAT +ATOM 56626 H2 TIP3 16772 29.792 -7.394 42.830 1.00 0.00 WAT +ATOM 56627 OH2 TIP3 16773 16.278 -23.561 41.718 1.00 0.00 WAT +ATOM 56628 H1 TIP3 16773 16.120 -23.523 40.751 1.00 0.00 WAT +ATOM 56629 H2 TIP3 16773 15.910 -24.423 41.955 1.00 0.00 WAT +ATOM 56630 OH2 TIP3 16774 15.189 -10.049 37.995 1.00 0.00 WAT +ATOM 56631 H1 TIP3 16774 14.418 -9.520 38.240 1.00 0.00 WAT +ATOM 56632 H2 TIP3 16774 15.574 -9.516 37.282 1.00 0.00 WAT +ATOM 56633 OH2 TIP3 16775 23.342 -8.803 32.422 1.00 0.00 WAT +ATOM 56634 H1 TIP3 16775 22.580 -9.418 32.345 1.00 0.00 WAT +ATOM 56635 H2 TIP3 16775 24.049 -9.367 32.073 1.00 0.00 WAT +ATOM 56636 OH2 TIP3 16776 27.976 -8.913 32.521 1.00 0.00 WAT +ATOM 56637 H1 TIP3 16776 28.117 -9.686 33.096 1.00 0.00 WAT +ATOM 56638 H2 TIP3 16776 28.808 -8.890 32.019 1.00 0.00 WAT +ATOM 56639 OH2 TIP3 16777 18.769 -13.069 32.272 1.00 0.00 WAT +ATOM 56640 H1 TIP3 16777 18.923 -13.662 33.024 1.00 0.00 WAT +ATOM 56641 H2 TIP3 16777 19.632 -13.116 31.819 1.00 0.00 WAT +ATOM 56642 OH2 TIP3 16778 24.002 -11.743 31.885 1.00 0.00 WAT +ATOM 56643 H1 TIP3 16778 23.969 -11.788 32.858 1.00 0.00 WAT +ATOM 56644 H2 TIP3 16778 23.959 -12.700 31.673 1.00 0.00 WAT +ATOM 56645 OH2 TIP3 16779 19.868 -14.994 34.628 1.00 0.00 WAT +ATOM 56646 H1 TIP3 16779 19.240 -15.506 35.158 1.00 0.00 WAT +ATOM 56647 H2 TIP3 16779 20.164 -15.668 33.981 1.00 0.00 WAT +ATOM 56648 OH2 TIP3 16780 20.810 -16.969 32.878 1.00 0.00 WAT +ATOM 56649 H1 TIP3 16780 20.764 -16.907 31.907 1.00 0.00 WAT +ATOM 56650 H2 TIP3 16780 21.773 -17.016 33.024 1.00 0.00 WAT +ATOM 56651 OH2 TIP3 16781 30.329 -14.485 32.163 1.00 0.00 WAT +ATOM 56652 H1 TIP3 16781 30.154 -14.873 31.294 1.00 0.00 WAT +ATOM 56653 H2 TIP3 16781 30.239 -13.530 31.961 1.00 0.00 WAT +ATOM 56654 OH2 TIP3 16782 20.576 -5.759 33.964 1.00 0.00 WAT +ATOM 56655 H1 TIP3 16782 21.527 -5.623 34.086 1.00 0.00 WAT +ATOM 56656 H2 TIP3 16782 20.430 -5.290 33.133 1.00 0.00 WAT +ATOM 56657 OH2 TIP3 16783 14.483 -11.341 33.502 1.00 0.00 WAT +ATOM 56658 H1 TIP3 16783 15.438 -11.158 33.634 1.00 0.00 WAT +ATOM 56659 H2 TIP3 16783 14.504 -12.130 32.924 1.00 0.00 WAT +ATOM 56660 OH2 TIP3 16784 13.512 -6.178 38.214 1.00 0.00 WAT +ATOM 56661 H1 TIP3 16784 12.765 -6.536 37.697 1.00 0.00 WAT +ATOM 56662 H2 TIP3 16784 13.584 -6.837 38.934 1.00 0.00 WAT +ATOM 56663 OH2 TIP3 16785 13.873 -8.159 40.192 1.00 0.00 WAT +ATOM 56664 H1 TIP3 16785 13.612 -9.047 40.478 1.00 0.00 WAT +ATOM 56665 H2 TIP3 16785 14.147 -7.792 41.052 1.00 0.00 WAT +ATOM 56666 OH2 TIP3 16786 31.688 -6.616 42.770 1.00 0.00 WAT +ATOM 56667 H1 TIP3 16786 31.512 -6.873 43.692 1.00 0.00 WAT +ATOM 56668 H2 TIP3 16786 32.648 -6.773 42.728 1.00 0.00 WAT +ATOM 56669 OH2 TIP3 16787 30.748 -13.082 36.126 1.00 0.00 WAT +ATOM 56670 H1 TIP3 16787 31.635 -12.712 36.310 1.00 0.00 WAT +ATOM 56671 H2 TIP3 16787 30.674 -13.712 36.866 1.00 0.00 WAT +ATOM 56672 OH2 TIP3 16788 31.192 -15.138 38.118 1.00 0.00 WAT +ATOM 56673 H1 TIP3 16788 30.515 -15.688 38.554 1.00 0.00 WAT +ATOM 56674 H2 TIP3 16788 31.873 -15.034 38.815 1.00 0.00 WAT +ATOM 56675 OH2 TIP3 16789 30.885 -12.806 43.272 1.00 0.00 WAT +ATOM 56676 H1 TIP3 16789 31.527 -13.347 42.791 1.00 0.00 WAT +ATOM 56677 H2 TIP3 16789 31.005 -11.932 42.878 1.00 0.00 WAT +ATOM 56678 OH2 TIP3 16790 31.432 -15.686 34.690 1.00 0.00 WAT +ATOM 56679 H1 TIP3 16790 30.915 -15.404 33.914 1.00 0.00 WAT +ATOM 56680 H2 TIP3 16790 31.304 -14.931 35.287 1.00 0.00 WAT +ATOM 56681 OH2 TIP3 16791 29.683 -18.084 32.955 1.00 0.00 WAT +ATOM 56682 H1 TIP3 16791 29.962 -17.581 32.182 1.00 0.00 WAT +ATOM 56683 H2 TIP3 16791 29.430 -18.951 32.570 1.00 0.00 WAT +ATOM 56684 OH2 TIP3 16792 29.050 -16.989 38.918 1.00 0.00 WAT +ATOM 56685 H1 TIP3 16792 29.032 -17.950 38.775 1.00 0.00 WAT +ATOM 56686 H2 TIP3 16792 28.729 -16.901 39.833 1.00 0.00 WAT +ATOM 56687 OH2 TIP3 16793 13.963 -15.235 42.630 1.00 0.00 WAT +ATOM 56688 H1 TIP3 16793 14.292 -14.884 41.786 1.00 0.00 WAT +ATOM 56689 H2 TIP3 16793 14.747 -15.155 43.201 1.00 0.00 WAT +ATOM 56690 OH2 TIP3 16794 29.102 -20.725 32.342 1.00 0.00 WAT +ATOM 56691 H1 TIP3 16794 29.841 -21.351 32.414 1.00 0.00 WAT +ATOM 56692 H2 TIP3 16794 28.424 -21.279 31.937 1.00 0.00 WAT +ATOM 56693 OH2 TIP3 16795 28.974 -19.498 37.117 1.00 0.00 WAT +ATOM 56694 H1 TIP3 16795 29.216 -20.450 37.151 1.00 0.00 WAT +ATOM 56695 H2 TIP3 16795 29.769 -19.136 36.689 1.00 0.00 WAT +ATOM 56696 OH2 TIP3 16796 29.187 -18.839 42.186 1.00 0.00 WAT +ATOM 56697 H1 TIP3 16796 30.147 -18.847 42.338 1.00 0.00 WAT +ATOM 56698 H2 TIP3 16796 28.841 -18.988 43.084 1.00 0.00 WAT +ATOM 56699 OH2 TIP3 16797 29.427 -22.273 37.088 1.00 0.00 WAT +ATOM 56700 H1 TIP3 16797 29.558 -22.608 37.994 1.00 0.00 WAT +ATOM 56701 H2 TIP3 16797 28.635 -22.771 36.804 1.00 0.00 WAT +ATOM 56702 OH2 TIP3 16798 14.698 -20.989 41.921 1.00 0.00 WAT +ATOM 56703 H1 TIP3 16798 14.984 -21.911 42.030 1.00 0.00 WAT +ATOM 56704 H2 TIP3 16798 15.274 -20.548 42.553 1.00 0.00 WAT +ATOM 56705 OH2 TIP3 16799 13.126 -18.118 43.025 1.00 0.00 WAT +ATOM 56706 H1 TIP3 16799 13.502 -18.474 42.205 1.00 0.00 WAT +ATOM 56707 H2 TIP3 16799 13.372 -17.173 42.951 1.00 0.00 WAT +ATOM 56708 OH2 TIP3 16800 31.549 -22.064 33.752 1.00 0.00 WAT +ATOM 56709 H1 TIP3 16800 31.609 -22.552 32.899 1.00 0.00 WAT +ATOM 56710 H2 TIP3 16800 32.276 -21.435 33.665 1.00 0.00 WAT +ATOM 56711 OH2 TIP3 16801 13.663 -22.105 36.924 1.00 0.00 WAT +ATOM 56712 H1 TIP3 16801 12.711 -22.044 36.732 1.00 0.00 WAT +ATOM 56713 H2 TIP3 16801 14.059 -21.483 36.283 1.00 0.00 WAT +ATOM 56714 OH2 TIP3 16802 28.311 -6.833 39.076 1.00 0.00 WAT +ATOM 56715 H1 TIP3 16802 28.727 -7.090 38.232 1.00 0.00 WAT +ATOM 56716 H2 TIP3 16802 29.040 -6.359 39.491 1.00 0.00 WAT +ATOM 56717 OH2 TIP3 16803 15.307 -7.795 42.625 1.00 0.00 WAT +ATOM 56718 H1 TIP3 16803 15.683 -7.748 43.531 1.00 0.00 WAT +ATOM 56719 H2 TIP3 16803 16.134 -7.979 42.130 1.00 0.00 WAT +ATOM 56720 OH2 TIP3 16804 17.521 -8.655 41.165 1.00 0.00 WAT +ATOM 56721 H1 TIP3 16804 17.416 -9.594 41.421 1.00 0.00 WAT +ATOM 56722 H2 TIP3 16804 18.437 -8.477 41.462 1.00 0.00 WAT +ATOM 56723 OH2 TIP3 16805 20.188 -8.184 42.131 1.00 0.00 WAT +ATOM 56724 H1 TIP3 16805 20.531 -9.038 41.835 1.00 0.00 WAT +ATOM 56725 H2 TIP3 16805 20.334 -8.245 43.082 1.00 0.00 WAT +ATOM 56726 OH2 TIP3 16806 23.565 -22.177 41.280 1.00 0.00 WAT +ATOM 56727 H1 TIP3 16806 22.962 -22.902 41.541 1.00 0.00 WAT +ATOM 56728 H2 TIP3 16806 24.238 -22.661 40.767 1.00 0.00 WAT +ATOM 56729 OH2 TIP3 16807 28.547 -24.029 41.362 1.00 0.00 WAT +ATOM 56730 H1 TIP3 16807 29.215 -23.567 40.819 1.00 0.00 WAT +ATOM 56731 H2 TIP3 16807 27.706 -23.813 40.921 1.00 0.00 WAT +ATOM 56732 OH2 TIP3 16808 30.602 -23.115 39.600 1.00 0.00 WAT +ATOM 56733 H1 TIP3 16808 31.341 -23.537 39.125 1.00 0.00 WAT +ATOM 56734 H2 TIP3 16808 30.948 -22.208 39.733 1.00 0.00 WAT +ATOM 56735 OH2 TIP3 16809 15.946 -23.556 38.888 1.00 0.00 WAT +ATOM 56736 H1 TIP3 16809 15.090 -23.691 38.434 1.00 0.00 WAT +ATOM 56737 H2 TIP3 16809 16.379 -24.414 38.728 1.00 0.00 WAT +ATOM 56738 OH2 TIP3 16810 14.779 -24.073 34.774 1.00 0.00 WAT +ATOM 56739 H1 TIP3 16810 15.271 -23.405 34.259 1.00 0.00 WAT +ATOM 56740 H2 TIP3 16810 14.349 -23.529 35.454 1.00 0.00 WAT +ATOM 56741 OH2 TIP3 16811 20.463 -23.811 38.906 1.00 0.00 WAT +ATOM 56742 H1 TIP3 16811 21.341 -23.438 38.724 1.00 0.00 WAT +ATOM 56743 H2 TIP3 16811 20.490 -23.893 39.869 1.00 0.00 WAT +ATOM 56744 OH2 TIP3 16812 25.950 -23.665 40.047 1.00 0.00 WAT +ATOM 56745 H1 TIP3 16812 26.231 -23.908 39.156 1.00 0.00 WAT +ATOM 56746 H2 TIP3 16812 25.627 -24.509 40.403 1.00 0.00 WAT +ATOM 56747 OH2 TIP3 16813 27.107 -23.692 36.193 1.00 0.00 WAT +ATOM 56748 H1 TIP3 16813 26.299 -23.169 36.034 1.00 0.00 WAT +ATOM 56749 H2 TIP3 16813 26.746 -24.593 36.251 1.00 0.00 WAT +ATOM 56750 OH2 TIP3 16814 14.949 -8.113 35.934 1.00 0.00 WAT +ATOM 56751 H1 TIP3 16814 14.311 -8.229 35.213 1.00 0.00 WAT +ATOM 56752 H2 TIP3 16814 14.931 -7.150 36.027 1.00 0.00 WAT +ATOM 56753 OH2 TIP3 16815 16.474 -22.256 33.210 1.00 0.00 WAT +ATOM 56754 H1 TIP3 16815 17.094 -22.796 32.691 1.00 0.00 WAT +ATOM 56755 H2 TIP3 16815 17.064 -21.914 33.909 1.00 0.00 WAT +ATOM 56756 OH2 TIP3 16816 21.551 -22.080 35.844 1.00 0.00 WAT +ATOM 56757 H1 TIP3 16816 21.949 -22.618 36.547 1.00 0.00 WAT +ATOM 56758 H2 TIP3 16816 21.758 -21.194 36.182 1.00 0.00 WAT +ATOM 56759 OH2 TIP3 16817 23.618 -6.268 34.039 1.00 0.00 WAT +ATOM 56760 H1 TIP3 16817 24.593 -6.270 34.011 1.00 0.00 WAT +ATOM 56761 H2 TIP3 16817 23.422 -6.940 33.365 1.00 0.00 WAT +ATOM 56762 OH2 TIP3 16818 30.069 -7.228 36.645 1.00 0.00 WAT +ATOM 56763 H1 TIP3 16818 29.913 -8.084 36.202 1.00 0.00 WAT +ATOM 56764 H2 TIP3 16818 30.124 -6.629 35.886 1.00 0.00 WAT +ATOM 56765 OH2 TIP3 16819 16.381 -7.156 32.727 1.00 0.00 WAT +ATOM 56766 H1 TIP3 16819 16.142 -6.882 33.624 1.00 0.00 WAT +ATOM 56767 H2 TIP3 16819 17.154 -7.725 32.878 1.00 0.00 WAT +ATOM 56768 OH2 TIP3 16820 42.902 -15.277 42.278 1.00 0.00 WAT +ATOM 56769 H1 TIP3 16820 42.670 -15.857 43.028 1.00 0.00 WAT +ATOM 56770 H2 TIP3 16820 42.620 -15.826 41.509 1.00 0.00 WAT +ATOM 56771 OH2 TIP3 16821 35.786 -11.188 42.402 1.00 0.00 WAT +ATOM 56772 H1 TIP3 16821 35.607 -12.127 42.237 1.00 0.00 WAT +ATOM 56773 H2 TIP3 16821 36.735 -11.246 42.609 1.00 0.00 WAT +ATOM 56774 OH2 TIP3 16822 32.799 -17.749 37.774 1.00 0.00 WAT +ATOM 56775 H1 TIP3 16822 32.412 -16.865 37.882 1.00 0.00 WAT +ATOM 56776 H2 TIP3 16822 32.073 -18.233 37.364 1.00 0.00 WAT +ATOM 56777 OH2 TIP3 16823 33.533 -15.390 39.717 1.00 0.00 WAT +ATOM 56778 H1 TIP3 16823 33.776 -16.133 40.299 1.00 0.00 WAT +ATOM 56779 H2 TIP3 16823 34.385 -15.178 39.316 1.00 0.00 WAT +ATOM 56780 OH2 TIP3 16824 40.588 -13.136 42.778 1.00 0.00 WAT +ATOM 56781 H1 TIP3 16824 41.013 -13.796 42.213 1.00 0.00 WAT +ATOM 56782 H2 TIP3 16824 41.347 -12.803 43.293 1.00 0.00 WAT +ATOM 56783 OH2 TIP3 16825 37.420 -20.560 40.397 1.00 0.00 WAT +ATOM 56784 H1 TIP3 16825 37.549 -19.682 39.995 1.00 0.00 WAT +ATOM 56785 H2 TIP3 16825 37.050 -21.044 39.634 1.00 0.00 WAT +ATOM 56786 OH2 TIP3 16826 34.296 -17.888 41.004 1.00 0.00 WAT +ATOM 56787 H1 TIP3 16826 34.805 -18.497 41.543 1.00 0.00 WAT +ATOM 56788 H2 TIP3 16826 34.337 -18.321 40.133 1.00 0.00 WAT +ATOM 56789 OH2 TIP3 16827 39.359 -16.465 40.646 1.00 0.00 WAT +ATOM 56790 H1 TIP3 16827 40.205 -16.940 40.769 1.00 0.00 WAT +ATOM 56791 H2 TIP3 16827 38.964 -17.016 39.948 1.00 0.00 WAT +ATOM 56792 OH2 TIP3 16828 36.669 -19.611 42.996 1.00 0.00 WAT +ATOM 56793 H1 TIP3 16828 36.436 -18.696 42.806 1.00 0.00 WAT +ATOM 56794 H2 TIP3 16828 36.553 -20.065 42.143 1.00 0.00 WAT +ATOM 56795 OH2 TIP3 16829 33.458 -12.115 36.349 1.00 0.00 WAT +ATOM 56796 H1 TIP3 16829 33.308 -11.625 35.527 1.00 0.00 WAT +ATOM 56797 H2 TIP3 16829 33.727 -11.399 36.970 1.00 0.00 WAT +ATOM 56798 OH2 TIP3 16830 40.364 -24.159 41.758 1.00 0.00 WAT +ATOM 56799 H1 TIP3 16830 40.247 -25.120 41.835 1.00 0.00 WAT +ATOM 56800 H2 TIP3 16830 39.550 -23.837 42.196 1.00 0.00 WAT +ATOM 56801 OH2 TIP3 16831 42.872 -16.923 33.435 1.00 0.00 WAT +ATOM 56802 H1 TIP3 16831 43.502 -16.960 34.170 1.00 0.00 WAT +ATOM 56803 H2 TIP3 16831 42.943 -17.799 33.043 1.00 0.00 WAT +ATOM 56804 OH2 TIP3 16832 37.607 -14.479 39.249 1.00 0.00 WAT +ATOM 56805 H1 TIP3 16832 37.257 -14.952 38.472 1.00 0.00 WAT +ATOM 56806 H2 TIP3 16832 38.186 -15.141 39.659 1.00 0.00 WAT +ATOM 56807 OH2 TIP3 16833 38.784 -11.196 41.609 1.00 0.00 WAT +ATOM 56808 H1 TIP3 16833 38.789 -11.581 40.720 1.00 0.00 WAT +ATOM 56809 H2 TIP3 16833 39.512 -11.667 42.035 1.00 0.00 WAT +ATOM 56810 OH2 TIP3 16834 37.703 -15.820 42.740 1.00 0.00 WAT +ATOM 56811 H1 TIP3 16834 38.380 -15.892 42.036 1.00 0.00 WAT +ATOM 56812 H2 TIP3 16834 38.212 -15.458 43.481 1.00 0.00 WAT +ATOM 56813 OH2 TIP3 16835 42.591 -9.291 38.482 1.00 0.00 WAT +ATOM 56814 H1 TIP3 16835 43.008 -8.680 39.110 1.00 0.00 WAT +ATOM 56815 H2 TIP3 16835 42.049 -8.680 37.962 1.00 0.00 WAT +ATOM 56816 OH2 TIP3 16836 36.516 -15.799 36.787 1.00 0.00 WAT +ATOM 56817 H1 TIP3 16836 36.305 -15.016 36.249 1.00 0.00 WAT +ATOM 56818 H2 TIP3 16836 35.812 -16.409 36.532 1.00 0.00 WAT +ATOM 56819 OH2 TIP3 16837 32.685 -10.331 42.381 1.00 0.00 WAT +ATOM 56820 H1 TIP3 16837 33.650 -10.438 42.405 1.00 0.00 WAT +ATOM 56821 H2 TIP3 16837 32.567 -9.504 42.864 1.00 0.00 WAT +ATOM 56822 OH2 TIP3 16838 42.053 -6.542 37.058 1.00 0.00 WAT +ATOM 56823 H1 TIP3 16838 41.958 -6.508 36.097 1.00 0.00 WAT +ATOM 56824 H2 TIP3 16838 42.080 -5.613 37.316 1.00 0.00 WAT +ATOM 56825 OH2 TIP3 16839 37.916 -23.250 42.896 1.00 0.00 WAT +ATOM 56826 H1 TIP3 16839 37.062 -23.370 42.444 1.00 0.00 WAT +ATOM 56827 H2 TIP3 16839 37.925 -22.296 43.087 1.00 0.00 WAT +ATOM 56828 OH2 TIP3 16840 42.311 -20.938 33.457 1.00 0.00 WAT +ATOM 56829 H1 TIP3 16840 41.738 -21.060 34.226 1.00 0.00 WAT +ATOM 56830 H2 TIP3 16840 41.974 -21.625 32.865 1.00 0.00 WAT +ATOM 56831 OH2 TIP3 16841 37.764 -18.224 38.840 1.00 0.00 WAT +ATOM 56832 H1 TIP3 16841 36.806 -18.287 38.678 1.00 0.00 WAT +ATOM 56833 H2 TIP3 16841 38.112 -18.399 37.949 1.00 0.00 WAT +ATOM 56834 OH2 TIP3 16842 38.635 -20.545 32.337 1.00 0.00 WAT +ATOM 56835 H1 TIP3 16842 38.235 -20.875 33.167 1.00 0.00 WAT +ATOM 56836 H2 TIP3 16842 37.852 -20.376 31.798 1.00 0.00 WAT +ATOM 56837 OH2 TIP3 16843 32.004 -20.661 39.453 1.00 0.00 WAT +ATOM 56838 H1 TIP3 16843 32.614 -20.695 40.212 1.00 0.00 WAT +ATOM 56839 H2 TIP3 16843 32.517 -21.042 38.723 1.00 0.00 WAT +ATOM 56840 OH2 TIP3 16844 33.614 -20.224 35.143 1.00 0.00 WAT +ATOM 56841 H1 TIP3 16844 34.125 -19.747 34.462 1.00 0.00 WAT +ATOM 56842 H2 TIP3 16844 32.870 -19.615 35.293 1.00 0.00 WAT +ATOM 56843 OH2 TIP3 16845 40.463 -20.752 39.815 1.00 0.00 WAT +ATOM 56844 H1 TIP3 16845 39.517 -20.706 40.036 1.00 0.00 WAT +ATOM 56845 H2 TIP3 16845 40.854 -20.647 40.695 1.00 0.00 WAT +ATOM 56846 OH2 TIP3 16846 35.073 -19.401 38.542 1.00 0.00 WAT +ATOM 56847 H1 TIP3 16846 34.263 -19.103 38.087 1.00 0.00 WAT +ATOM 56848 H2 TIP3 16846 35.343 -20.181 38.023 1.00 0.00 WAT +ATOM 56849 OH2 TIP3 16847 38.842 -19.141 36.166 1.00 0.00 WAT +ATOM 56850 H1 TIP3 16847 39.751 -18.823 36.261 1.00 0.00 WAT +ATOM 56851 H2 TIP3 16847 38.451 -18.525 35.518 1.00 0.00 WAT +ATOM 56852 OH2 TIP3 16848 37.226 -17.892 33.996 1.00 0.00 WAT +ATOM 56853 H1 TIP3 16848 36.609 -18.103 33.277 1.00 0.00 WAT +ATOM 56854 H2 TIP3 16848 38.025 -17.663 33.496 1.00 0.00 WAT +ATOM 56855 OH2 TIP3 16849 41.253 -18.398 41.627 1.00 0.00 WAT +ATOM 56856 H1 TIP3 16849 41.952 -18.565 40.976 1.00 0.00 WAT +ATOM 56857 H2 TIP3 16849 41.616 -18.774 42.442 1.00 0.00 WAT +ATOM 56858 OH2 TIP3 16850 36.845 -21.664 37.829 1.00 0.00 WAT +ATOM 56859 H1 TIP3 16850 36.266 -22.428 37.998 1.00 0.00 WAT +ATOM 56860 H2 TIP3 16850 37.636 -22.078 37.467 1.00 0.00 WAT +ATOM 56861 OH2 TIP3 16851 40.800 -13.377 35.807 1.00 0.00 WAT +ATOM 56862 H1 TIP3 16851 40.044 -13.889 35.466 1.00 0.00 WAT +ATOM 56863 H2 TIP3 16851 40.697 -13.451 36.773 1.00 0.00 WAT +ATOM 56864 OH2 TIP3 16852 35.603 -14.217 41.711 1.00 0.00 WAT +ATOM 56865 H1 TIP3 16852 36.226 -14.009 41.001 1.00 0.00 WAT +ATOM 56866 H2 TIP3 16852 36.152 -14.815 42.255 1.00 0.00 WAT +ATOM 56867 OH2 TIP3 16853 42.880 -11.865 34.825 1.00 0.00 WAT +ATOM 56868 H1 TIP3 16853 42.501 -11.032 35.166 1.00 0.00 WAT +ATOM 56869 H2 TIP3 16853 42.193 -12.502 35.127 1.00 0.00 WAT +ATOM 56870 OH2 TIP3 16854 38.246 -10.410 38.790 1.00 0.00 WAT +ATOM 56871 H1 TIP3 16854 38.645 -9.576 38.509 1.00 0.00 WAT +ATOM 56872 H2 TIP3 16854 37.342 -10.235 38.484 1.00 0.00 WAT +ATOM 56873 OH2 TIP3 16855 34.151 -15.755 33.510 1.00 0.00 WAT +ATOM 56874 H1 TIP3 16855 34.729 -15.081 33.913 1.00 0.00 WAT +ATOM 56875 H2 TIP3 16855 33.280 -15.486 33.860 1.00 0.00 WAT +ATOM 56876 OH2 TIP3 16856 39.954 -12.737 38.688 1.00 0.00 WAT +ATOM 56877 H1 TIP3 16856 39.527 -11.864 38.633 1.00 0.00 WAT +ATOM 56878 H2 TIP3 16856 39.204 -13.316 38.893 1.00 0.00 WAT +ATOM 56879 OH2 TIP3 16857 39.914 -10.495 31.902 1.00 0.00 WAT +ATOM 56880 H1 TIP3 16857 40.308 -11.281 31.479 1.00 0.00 WAT +ATOM 56881 H2 TIP3 16857 39.606 -10.870 32.747 1.00 0.00 WAT +ATOM 56882 OH2 TIP3 16858 38.985 -10.892 34.770 1.00 0.00 WAT +ATOM 56883 H1 TIP3 16858 39.328 -11.438 35.492 1.00 0.00 WAT +ATOM 56884 H2 TIP3 16858 38.817 -10.052 35.235 1.00 0.00 WAT +ATOM 56885 OH2 TIP3 16859 35.603 -13.526 35.056 1.00 0.00 WAT +ATOM 56886 H1 TIP3 16859 34.917 -13.126 35.625 1.00 0.00 WAT +ATOM 56887 H2 TIP3 16859 36.086 -12.728 34.776 1.00 0.00 WAT +ATOM 56888 OH2 TIP3 16860 41.546 -9.258 35.275 1.00 0.00 WAT +ATOM 56889 H1 TIP3 16860 40.785 -8.695 35.478 1.00 0.00 WAT +ATOM 56890 H2 TIP3 16860 42.000 -8.758 34.593 1.00 0.00 WAT +ATOM 56891 OH2 TIP3 16861 41.619 -19.539 37.341 1.00 0.00 WAT +ATOM 56892 H1 TIP3 16861 42.062 -18.784 37.752 1.00 0.00 WAT +ATOM 56893 H2 TIP3 16861 41.146 -19.876 38.123 1.00 0.00 WAT +ATOM 56894 OH2 TIP3 16862 41.919 -22.660 38.443 1.00 0.00 WAT +ATOM 56895 H1 TIP3 16862 41.642 -21.874 38.968 1.00 0.00 WAT +ATOM 56896 H2 TIP3 16862 42.712 -22.318 37.992 1.00 0.00 WAT +ATOM 56897 OH2 TIP3 16863 37.701 -21.613 34.714 1.00 0.00 WAT +ATOM 56898 H1 TIP3 16863 37.684 -20.862 35.333 1.00 0.00 WAT +ATOM 56899 H2 TIP3 16863 38.503 -22.086 34.987 1.00 0.00 WAT +ATOM 56900 OH2 TIP3 16864 36.108 -10.770 33.791 1.00 0.00 WAT +ATOM 56901 H1 TIP3 16864 36.667 -10.157 34.310 1.00 0.00 WAT +ATOM 56902 H2 TIP3 16864 36.773 -11.228 33.254 1.00 0.00 WAT +ATOM 56903 OH2 TIP3 16865 34.237 -18.544 32.878 1.00 0.00 WAT +ATOM 56904 H1 TIP3 16865 34.319 -17.608 33.142 1.00 0.00 WAT +ATOM 56905 H2 TIP3 16865 33.333 -18.587 32.546 1.00 0.00 WAT +ATOM 56906 OH2 TIP3 16866 35.129 -23.570 41.720 1.00 0.00 WAT +ATOM 56907 H1 TIP3 16866 34.966 -23.531 40.755 1.00 0.00 WAT +ATOM 56908 H2 TIP3 16866 34.791 -24.443 41.962 1.00 0.00 WAT +ATOM 56909 OH2 TIP3 16867 34.270 -9.948 38.016 1.00 0.00 WAT +ATOM 56910 H1 TIP3 16867 33.560 -9.330 38.226 1.00 0.00 WAT +ATOM 56911 H2 TIP3 16867 34.848 -9.379 37.478 1.00 0.00 WAT +ATOM 56912 OH2 TIP3 16868 42.312 -8.824 32.252 1.00 0.00 WAT +ATOM 56913 H1 TIP3 16868 41.484 -9.345 32.276 1.00 0.00 WAT +ATOM 56914 H2 TIP3 16868 42.949 -9.551 32.129 1.00 0.00 WAT +ATOM 56915 OH2 TIP3 16869 37.638 -13.070 32.285 1.00 0.00 WAT +ATOM 56916 H1 TIP3 16869 37.798 -13.648 33.052 1.00 0.00 WAT +ATOM 56917 H2 TIP3 16869 38.511 -13.091 31.852 1.00 0.00 WAT +ATOM 56918 OH2 TIP3 16870 42.573 -11.738 31.841 1.00 0.00 WAT +ATOM 56919 H1 TIP3 16870 42.759 -11.628 32.791 1.00 0.00 WAT +ATOM 56920 H2 TIP3 16870 42.430 -12.697 31.789 1.00 0.00 WAT +ATOM 56921 OH2 TIP3 16871 38.666 -14.972 34.536 1.00 0.00 WAT +ATOM 56922 H1 TIP3 16871 38.102 -15.463 35.151 1.00 0.00 WAT +ATOM 56923 H2 TIP3 16871 39.022 -15.685 33.974 1.00 0.00 WAT +ATOM 56924 OH2 TIP3 16872 39.806 -17.013 32.903 1.00 0.00 WAT +ATOM 56925 H1 TIP3 16872 39.706 -16.915 31.939 1.00 0.00 WAT +ATOM 56926 H2 TIP3 16872 40.758 -16.853 33.015 1.00 0.00 WAT +ATOM 56927 OH2 TIP3 16873 39.595 -5.668 34.187 1.00 0.00 WAT +ATOM 56928 H1 TIP3 16873 40.524 -5.897 34.087 1.00 0.00 WAT +ATOM 56929 H2 TIP3 16873 39.291 -5.618 33.278 1.00 0.00 WAT +ATOM 56930 OH2 TIP3 16874 33.344 -11.333 33.482 1.00 0.00 WAT +ATOM 56931 H1 TIP3 16874 34.290 -11.152 33.676 1.00 0.00 WAT +ATOM 56932 H2 TIP3 16874 33.400 -12.145 32.944 1.00 0.00 WAT +ATOM 56933 OH2 TIP3 16875 32.334 -6.122 38.263 1.00 0.00 WAT +ATOM 56934 H1 TIP3 16875 31.643 -6.533 37.710 1.00 0.00 WAT +ATOM 56935 H2 TIP3 16875 32.467 -6.824 38.935 1.00 0.00 WAT +ATOM 56936 OH2 TIP3 16876 32.658 -8.112 40.221 1.00 0.00 WAT +ATOM 56937 H1 TIP3 16876 32.465 -9.028 40.468 1.00 0.00 WAT +ATOM 56938 H2 TIP3 16876 33.051 -7.799 41.052 1.00 0.00 WAT +ATOM 56939 OH2 TIP3 16877 32.782 -15.078 42.597 1.00 0.00 WAT +ATOM 56940 H1 TIP3 16877 33.157 -14.810 41.742 1.00 0.00 WAT +ATOM 56941 H2 TIP3 16877 33.585 -15.145 43.143 1.00 0.00 WAT +ATOM 56942 OH2 TIP3 16878 33.560 -20.988 41.903 1.00 0.00 WAT +ATOM 56943 H1 TIP3 16878 33.859 -21.901 42.046 1.00 0.00 WAT +ATOM 56944 H2 TIP3 16878 34.071 -20.528 42.576 1.00 0.00 WAT +ATOM 56945 OH2 TIP3 16879 31.934 -18.115 43.024 1.00 0.00 WAT +ATOM 56946 H1 TIP3 16879 32.386 -18.470 42.241 1.00 0.00 WAT +ATOM 56947 H2 TIP3 16879 32.236 -17.186 43.001 1.00 0.00 WAT +ATOM 56948 OH2 TIP3 16880 32.506 -22.075 36.947 1.00 0.00 WAT +ATOM 56949 H1 TIP3 16880 31.564 -22.055 36.705 1.00 0.00 WAT +ATOM 56950 H2 TIP3 16880 32.913 -21.508 36.262 1.00 0.00 WAT +ATOM 56951 OH2 TIP3 16881 34.134 -7.783 42.650 1.00 0.00 WAT +ATOM 56952 H1 TIP3 16881 34.571 -7.809 43.525 1.00 0.00 WAT +ATOM 56953 H2 TIP3 16881 34.923 -7.998 42.093 1.00 0.00 WAT +ATOM 56954 OH2 TIP3 16882 36.267 -8.501 41.196 1.00 0.00 WAT +ATOM 56955 H1 TIP3 16882 36.172 -9.468 41.153 1.00 0.00 WAT +ATOM 56956 H2 TIP3 16882 37.228 -8.395 41.245 1.00 0.00 WAT +ATOM 56957 OH2 TIP3 16883 39.158 -8.163 42.127 1.00 0.00 WAT +ATOM 56958 H1 TIP3 16883 39.230 -9.081 41.813 1.00 0.00 WAT +ATOM 56959 H2 TIP3 16883 39.091 -8.307 43.080 1.00 0.00 WAT +ATOM 56960 OH2 TIP3 16884 42.743 -22.549 41.345 1.00 0.00 WAT +ATOM 56961 H1 TIP3 16884 41.928 -23.020 41.592 1.00 0.00 WAT +ATOM 56962 H2 TIP3 16884 42.931 -22.942 40.488 1.00 0.00 WAT +ATOM 56963 OH2 TIP3 16885 34.814 -23.553 38.882 1.00 0.00 WAT +ATOM 56964 H1 TIP3 16885 33.952 -23.674 38.434 1.00 0.00 WAT +ATOM 56965 H2 TIP3 16885 35.232 -24.417 38.722 1.00 0.00 WAT +ATOM 56966 OH2 TIP3 16886 33.693 -24.088 34.778 1.00 0.00 WAT +ATOM 56967 H1 TIP3 16886 34.137 -23.403 34.241 1.00 0.00 WAT +ATOM 56968 H2 TIP3 16886 33.152 -23.537 35.367 1.00 0.00 WAT +ATOM 56969 OH2 TIP3 16887 39.352 -23.780 38.858 1.00 0.00 WAT +ATOM 56970 H1 TIP3 16887 40.259 -23.437 38.759 1.00 0.00 WAT +ATOM 56971 H2 TIP3 16887 39.304 -23.863 39.820 1.00 0.00 WAT +ATOM 56972 OH2 TIP3 16888 33.518 -8.192 35.882 1.00 0.00 WAT +ATOM 56973 H1 TIP3 16888 32.965 -8.087 35.099 1.00 0.00 WAT +ATOM 56974 H2 TIP3 16888 33.902 -7.318 35.998 1.00 0.00 WAT +ATOM 56975 OH2 TIP3 16889 35.335 -22.254 33.206 1.00 0.00 WAT +ATOM 56976 H1 TIP3 16889 35.952 -22.783 32.672 1.00 0.00 WAT +ATOM 56977 H2 TIP3 16889 35.929 -21.906 33.896 1.00 0.00 WAT +ATOM 56978 OH2 TIP3 16890 40.718 -22.006 35.805 1.00 0.00 WAT +ATOM 56979 H1 TIP3 16890 40.674 -22.593 36.576 1.00 0.00 WAT +ATOM 56980 H2 TIP3 16890 40.512 -21.144 36.198 1.00 0.00 WAT +ATOM 56981 OH2 TIP3 16891 42.632 -6.445 33.978 1.00 0.00 WAT +ATOM 56982 H1 TIP3 16891 43.535 -6.115 33.828 1.00 0.00 WAT +ATOM 56983 H2 TIP3 16891 42.508 -7.062 33.238 1.00 0.00 WAT +ATOM 56984 OH2 TIP3 16892 35.283 -7.137 32.775 1.00 0.00 WAT +ATOM 56985 H1 TIP3 16892 35.041 -6.942 33.692 1.00 0.00 WAT +ATOM 56986 H2 TIP3 16892 36.034 -7.737 32.916 1.00 0.00 WAT +ATOM 56987 OH2 TIP3 16893 -31.684 4.018 39.234 1.00 0.00 WAT +ATOM 56988 H1 TIP3 16893 -31.606 4.984 39.301 1.00 0.00 WAT +ATOM 56989 H2 TIP3 16893 -32.366 3.925 38.554 1.00 0.00 WAT +ATOM 56990 OH2 TIP3 16894 -32.762 3.427 42.468 1.00 0.00 WAT +ATOM 56991 H1 TIP3 16894 -32.769 2.678 43.090 1.00 0.00 WAT +ATOM 56992 H2 TIP3 16894 -32.802 2.985 41.610 1.00 0.00 WAT +ATOM 56993 OH2 TIP3 16895 -29.207 6.213 40.362 1.00 0.00 WAT +ATOM 56994 H1 TIP3 16895 -29.573 5.516 40.932 1.00 0.00 WAT +ATOM 56995 H2 TIP3 16895 -28.763 6.718 41.074 1.00 0.00 WAT +ATOM 56996 OH2 TIP3 16896 -39.540 7.658 42.444 1.00 0.00 WAT +ATOM 56997 H1 TIP3 16896 -39.859 6.768 42.236 1.00 0.00 WAT +ATOM 56998 H2 TIP3 16896 -38.585 7.466 42.532 1.00 0.00 WAT +ATOM 56999 OH2 TIP3 16897 -42.199 1.468 36.512 1.00 0.00 WAT +ATOM 57000 H1 TIP3 16897 -42.463 2.203 37.082 1.00 0.00 WAT +ATOM 57001 H2 TIP3 16897 -42.959 0.876 36.570 1.00 0.00 WAT +ATOM 57002 OH2 TIP3 16898 -42.022 3.329 39.476 1.00 0.00 WAT +ATOM 57003 H1 TIP3 16898 -41.787 2.783 40.241 1.00 0.00 WAT +ATOM 57004 H2 TIP3 16898 -41.200 3.806 39.315 1.00 0.00 WAT +ATOM 57005 OH2 TIP3 16899 -32.084 11.619 41.143 1.00 0.00 WAT +ATOM 57006 H1 TIP3 16899 -31.489 10.938 40.785 1.00 0.00 WAT +ATOM 57007 H2 TIP3 16899 -32.354 11.251 41.996 1.00 0.00 WAT +ATOM 57008 OH2 TIP3 16900 -34.668 5.719 42.776 1.00 0.00 WAT +ATOM 57009 H1 TIP3 16900 -34.237 5.025 42.249 1.00 0.00 WAT +ATOM 57010 H2 TIP3 16900 -33.862 6.065 43.213 1.00 0.00 WAT +ATOM 57011 OH2 TIP3 16901 -31.172 0.460 43.210 1.00 0.00 WAT +ATOM 57012 H1 TIP3 16901 -30.745 -0.384 43.438 1.00 0.00 WAT +ATOM 57013 H2 TIP3 16901 -31.096 0.489 42.239 1.00 0.00 WAT +ATOM 57014 OH2 TIP3 16902 -38.091 -1.668 40.425 1.00 0.00 WAT +ATOM 57015 H1 TIP3 16902 -37.884 -0.837 39.962 1.00 0.00 WAT +ATOM 57016 H2 TIP3 16902 -38.396 -2.218 39.676 1.00 0.00 WAT +ATOM 57017 OH2 TIP3 16903 -30.172 -1.476 38.654 1.00 0.00 WAT +ATOM 57018 H1 TIP3 16903 -29.646 -1.875 39.389 1.00 0.00 WAT +ATOM 57019 H2 TIP3 16903 -29.463 -1.039 38.163 1.00 0.00 WAT +ATOM 57020 OH2 TIP3 16904 -41.196 1.010 41.023 1.00 0.00 WAT +ATOM 57021 H1 TIP3 16904 -40.777 0.442 41.679 1.00 0.00 WAT +ATOM 57022 H2 TIP3 16904 -41.078 0.476 40.216 1.00 0.00 WAT +ATOM 57023 OH2 TIP3 16905 -36.030 2.396 40.555 1.00 0.00 WAT +ATOM 57024 H1 TIP3 16905 -35.267 1.854 40.829 1.00 0.00 WAT +ATOM 57025 H2 TIP3 16905 -36.465 1.799 39.916 1.00 0.00 WAT +ATOM 57026 OH2 TIP3 16906 -31.694 6.894 37.918 1.00 0.00 WAT +ATOM 57027 H1 TIP3 16906 -32.025 6.665 37.046 1.00 0.00 WAT +ATOM 57028 H2 TIP3 16906 -32.153 7.730 38.109 1.00 0.00 WAT +ATOM 57029 OH2 TIP3 16907 -28.428 -2.062 40.671 1.00 0.00 WAT +ATOM 57030 H1 TIP3 16907 -28.440 -2.965 41.070 1.00 0.00 WAT +ATOM 57031 H2 TIP3 16907 -27.910 -1.600 41.350 1.00 0.00 WAT +ATOM 57032 OH2 TIP3 16908 -38.767 -0.762 42.975 1.00 0.00 WAT +ATOM 57033 H1 TIP3 16908 -38.997 0.155 42.787 1.00 0.00 WAT +ATOM 57034 H2 TIP3 16908 -38.839 -1.200 42.103 1.00 0.00 WAT +ATOM 57035 OH2 TIP3 16909 -41.831 6.513 36.301 1.00 0.00 WAT +ATOM 57036 H1 TIP3 16909 -42.633 6.705 35.777 1.00 0.00 WAT +ATOM 57037 H2 TIP3 16909 -41.904 7.138 37.043 1.00 0.00 WAT +ATOM 57038 OH2 TIP3 16910 -28.319 6.952 42.787 1.00 0.00 WAT +ATOM 57039 H1 TIP3 16910 -28.972 7.155 43.485 1.00 0.00 WAT +ATOM 57040 H2 TIP3 16910 -27.875 7.812 42.671 1.00 0.00 WAT +ATOM 57041 OH2 TIP3 16911 -35.100 -5.307 41.773 1.00 0.00 WAT +ATOM 57042 H1 TIP3 16911 -35.140 -6.276 41.830 1.00 0.00 WAT +ATOM 57043 H2 TIP3 16911 -35.930 -5.054 42.224 1.00 0.00 WAT +ATOM 57044 OH2 TIP3 16912 -30.277 10.002 39.558 1.00 0.00 WAT +ATOM 57045 H1 TIP3 16912 -29.779 9.180 39.380 1.00 0.00 WAT +ATOM 57046 H2 TIP3 16912 -29.546 10.651 39.541 1.00 0.00 WAT +ATOM 57047 OH2 TIP3 16913 -28.707 7.806 38.163 1.00 0.00 WAT +ATOM 57048 H1 TIP3 16913 -29.310 7.353 37.560 1.00 0.00 WAT +ATOM 57049 H2 TIP3 16913 -28.785 7.232 38.954 1.00 0.00 WAT +ATOM 57050 OH2 TIP3 16914 -32.957 3.585 36.421 1.00 0.00 WAT +ATOM 57051 H1 TIP3 16914 -33.616 4.166 35.998 1.00 0.00 WAT +ATOM 57052 H2 TIP3 16914 -32.231 3.603 35.775 1.00 0.00 WAT +ATOM 57053 OH2 TIP3 16915 -32.675 1.772 33.460 1.00 0.00 WAT +ATOM 57054 H1 TIP3 16915 -31.975 2.067 34.070 1.00 0.00 WAT +ATOM 57055 H2 TIP3 16915 -32.174 1.170 32.891 1.00 0.00 WAT +ATOM 57056 OH2 TIP3 16916 -29.464 3.557 37.502 1.00 0.00 WAT +ATOM 57057 H1 TIP3 16916 -30.110 3.785 38.203 1.00 0.00 WAT +ATOM 57058 H2 TIP3 16916 -28.838 3.002 38.004 1.00 0.00 WAT +ATOM 57059 OH2 TIP3 16917 -37.803 4.384 39.235 1.00 0.00 WAT +ATOM 57060 H1 TIP3 16917 -38.178 3.921 38.460 1.00 0.00 WAT +ATOM 57061 H2 TIP3 16917 -37.237 3.700 39.629 1.00 0.00 WAT +ATOM 57062 OH2 TIP3 16918 -36.811 7.533 41.566 1.00 0.00 WAT +ATOM 57063 H1 TIP3 16918 -36.600 7.123 40.718 1.00 0.00 WAT +ATOM 57064 H2 TIP3 16918 -35.990 7.418 42.064 1.00 0.00 WAT +ATOM 57065 OH2 TIP3 16919 -37.667 3.220 42.686 1.00 0.00 WAT +ATOM 57066 H1 TIP3 16919 -36.975 3.041 42.020 1.00 0.00 WAT +ATOM 57067 H2 TIP3 16919 -37.144 3.402 43.477 1.00 0.00 WAT +ATOM 57068 OH2 TIP3 16920 -30.499 3.030 34.945 1.00 0.00 WAT +ATOM 57069 H1 TIP3 16920 -30.027 3.290 35.765 1.00 0.00 WAT +ATOM 57070 H2 TIP3 16920 -29.993 3.545 34.269 1.00 0.00 WAT +ATOM 57071 OH2 TIP3 16921 -33.096 9.598 38.542 1.00 0.00 WAT +ATOM 57072 H1 TIP3 16921 -32.484 9.901 39.224 1.00 0.00 WAT +ATOM 57073 H2 TIP3 16921 -33.534 10.414 38.257 1.00 0.00 WAT +ATOM 57074 OH2 TIP3 16922 -27.049 -5.245 34.437 1.00 0.00 WAT +ATOM 57075 H1 TIP3 16922 -27.928 -5.155 34.850 1.00 0.00 WAT +ATOM 57076 H2 TIP3 16922 -26.704 -4.341 34.507 1.00 0.00 WAT +ATOM 57077 OH2 TIP3 16923 -38.936 3.093 36.806 1.00 0.00 WAT +ATOM 57078 H1 TIP3 16923 -39.170 3.837 36.227 1.00 0.00 WAT +ATOM 57079 H2 TIP3 16923 -39.583 2.422 36.542 1.00 0.00 WAT +ATOM 57080 OH2 TIP3 16924 -25.658 8.903 32.941 1.00 0.00 WAT +ATOM 57081 H1 TIP3 16924 -25.508 9.829 33.217 1.00 0.00 WAT +ATOM 57082 H2 TIP3 16924 -24.802 8.490 33.168 1.00 0.00 WAT +ATOM 57083 OH2 TIP3 16925 -42.903 8.690 42.153 1.00 0.00 WAT +ATOM 57084 H1 TIP3 16925 -42.097 8.223 42.412 1.00 0.00 WAT +ATOM 57085 H2 TIP3 16925 -43.030 9.233 42.938 1.00 0.00 WAT +ATOM 57086 OH2 TIP3 16926 -33.521 12.337 36.991 1.00 0.00 WAT +ATOM 57087 H1 TIP3 16926 -33.457 12.442 36.028 1.00 0.00 WAT +ATOM 57088 H2 TIP3 16926 -33.452 13.249 37.317 1.00 0.00 WAT +ATOM 57089 OH2 TIP3 16927 -39.780 11.461 38.633 1.00 0.00 WAT +ATOM 57090 H1 TIP3 16927 -39.519 11.043 39.479 1.00 0.00 WAT +ATOM 57091 H2 TIP3 16927 -40.563 10.926 38.424 1.00 0.00 WAT +ATOM 57092 OH2 TIP3 16928 -30.215 11.741 34.173 1.00 0.00 WAT +ATOM 57093 H1 TIP3 16928 -29.615 11.100 33.745 1.00 0.00 WAT +ATOM 57094 H2 TIP3 16928 -30.253 11.384 35.085 1.00 0.00 WAT +ATOM 57095 OH2 TIP3 16929 -30.806 11.172 36.949 1.00 0.00 WAT +ATOM 57096 H1 TIP3 16929 -31.748 11.299 37.149 1.00 0.00 WAT +ATOM 57097 H2 TIP3 16929 -30.570 10.516 37.631 1.00 0.00 WAT +ATOM 57098 OH2 TIP3 16930 -37.527 -4.408 42.906 1.00 0.00 WAT +ATOM 57099 H1 TIP3 16930 -38.362 -4.562 42.424 1.00 0.00 WAT +ATOM 57100 H2 TIP3 16930 -37.534 -3.449 43.058 1.00 0.00 WAT +ATOM 57101 OH2 TIP3 16931 -28.939 4.095 32.948 1.00 0.00 WAT +ATOM 57102 H1 TIP3 16931 -29.133 3.912 32.009 1.00 0.00 WAT +ATOM 57103 H2 TIP3 16931 -27.998 4.339 32.904 1.00 0.00 WAT +ATOM 57104 OH2 TIP3 16932 -33.306 -2.126 33.450 1.00 0.00 WAT +ATOM 57105 H1 TIP3 16932 -33.783 -2.285 34.278 1.00 0.00 WAT +ATOM 57106 H2 TIP3 16932 -33.706 -2.808 32.881 1.00 0.00 WAT +ATOM 57107 OH2 TIP3 16933 -37.675 0.652 38.830 1.00 0.00 WAT +ATOM 57108 H1 TIP3 16933 -38.630 0.574 38.649 1.00 0.00 WAT +ATOM 57109 H2 TIP3 16933 -37.313 0.434 37.948 1.00 0.00 WAT +ATOM 57110 OH2 TIP3 16934 -32.065 1.215 37.634 1.00 0.00 WAT +ATOM 57111 H1 TIP3 16934 -32.476 2.027 37.269 1.00 0.00 WAT +ATOM 57112 H2 TIP3 16934 -31.374 1.037 36.975 1.00 0.00 WAT +ATOM 57113 OH2 TIP3 16935 -31.282 0.612 40.420 1.00 0.00 WAT +ATOM 57114 H1 TIP3 16935 -31.548 1.158 39.654 1.00 0.00 WAT +ATOM 57115 H2 TIP3 16935 -31.050 -0.215 39.953 1.00 0.00 WAT +ATOM 57116 OH2 TIP3 16936 -36.894 -1.612 32.397 1.00 0.00 WAT +ATOM 57117 H1 TIP3 16936 -37.248 -2.052 33.194 1.00 0.00 WAT +ATOM 57118 H2 TIP3 16936 -37.663 -1.576 31.818 1.00 0.00 WAT +ATOM 57119 OH2 TIP3 16937 -43.159 -1.607 39.374 1.00 0.00 WAT +ATOM 57120 H1 TIP3 16937 -43.002 -1.850 40.304 1.00 0.00 WAT +ATOM 57121 H2 TIP3 16937 -42.862 -2.400 38.919 1.00 0.00 WAT +ATOM 57122 OH2 TIP3 16938 -42.091 -1.252 35.264 1.00 0.00 WAT +ATOM 57123 H1 TIP3 16938 -41.483 -0.999 34.546 1.00 0.00 WAT +ATOM 57124 H2 TIP3 16938 -42.931 -0.905 34.948 1.00 0.00 WAT +ATOM 57125 OH2 TIP3 16939 -34.988 -1.691 39.849 1.00 0.00 WAT +ATOM 57126 H1 TIP3 16939 -35.906 -1.856 40.118 1.00 0.00 WAT +ATOM 57127 H2 TIP3 16939 -34.495 -2.013 40.624 1.00 0.00 WAT +ATOM 57128 OH2 TIP3 16940 -40.383 -0.478 38.452 1.00 0.00 WAT +ATOM 57129 H1 TIP3 16940 -41.177 -0.421 37.903 1.00 0.00 WAT +ATOM 57130 H2 TIP3 16940 -40.009 -1.330 38.155 1.00 0.00 WAT +ATOM 57131 OH2 TIP3 16941 -36.714 -0.212 36.212 1.00 0.00 WAT +ATOM 57132 H1 TIP3 16941 -35.743 -0.160 36.288 1.00 0.00 WAT +ATOM 57133 H2 TIP3 16941 -36.926 0.406 35.493 1.00 0.00 WAT +ATOM 57134 OH2 TIP3 16942 -30.576 -3.139 42.823 1.00 0.00 WAT +ATOM 57135 H1 TIP3 16942 -30.905 -2.749 43.646 1.00 0.00 WAT +ATOM 57136 H2 TIP3 16942 -31.301 -3.019 42.198 1.00 0.00 WAT +ATOM 57137 OH2 TIP3 16943 -38.267 1.096 33.981 1.00 0.00 WAT +ATOM 57138 H1 TIP3 16943 -38.847 0.718 33.302 1.00 0.00 WAT +ATOM 57139 H2 TIP3 16943 -37.443 1.229 33.483 1.00 0.00 WAT +ATOM 57140 OH2 TIP3 16944 -34.026 0.644 41.920 1.00 0.00 WAT +ATOM 57141 H1 TIP3 16944 -33.308 0.329 41.348 1.00 0.00 WAT +ATOM 57142 H2 TIP3 16944 -33.974 0.002 42.645 1.00 0.00 WAT +ATOM 57143 OH2 TIP3 16945 -38.720 -2.846 37.934 1.00 0.00 WAT +ATOM 57144 H1 TIP3 16945 -39.172 -3.700 37.986 1.00 0.00 WAT +ATOM 57145 H2 TIP3 16945 -37.913 -3.082 37.454 1.00 0.00 WAT +ATOM 57146 OH2 TIP3 16946 -34.810 5.651 35.813 1.00 0.00 WAT +ATOM 57147 H1 TIP3 16946 -35.557 5.117 35.469 1.00 0.00 WAT +ATOM 57148 H2 TIP3 16946 -34.966 5.644 36.782 1.00 0.00 WAT +ATOM 57149 OH2 TIP3 16947 -30.617 -1.529 33.571 1.00 0.00 WAT +ATOM 57150 H1 TIP3 16947 -31.600 -1.573 33.562 1.00 0.00 WAT +ATOM 57151 H2 TIP3 16947 -30.428 -0.827 34.227 1.00 0.00 WAT +ATOM 57152 OH2 TIP3 16948 -29.941 0.274 35.630 1.00 0.00 WAT +ATOM 57153 H1 TIP3 16948 -29.077 0.101 36.055 1.00 0.00 WAT +ATOM 57154 H2 TIP3 16948 -29.809 1.154 35.235 1.00 0.00 WAT +ATOM 57155 OH2 TIP3 16949 -39.750 4.587 41.585 1.00 0.00 WAT +ATOM 57156 H1 TIP3 16949 -39.111 4.811 40.889 1.00 0.00 WAT +ATOM 57157 H2 TIP3 16949 -39.187 3.997 42.129 1.00 0.00 WAT +ATOM 57158 OH2 TIP3 16950 -32.385 6.986 34.722 1.00 0.00 WAT +ATOM 57159 H1 TIP3 16950 -32.633 7.841 35.129 1.00 0.00 WAT +ATOM 57160 H2 TIP3 16950 -33.125 6.425 35.013 1.00 0.00 WAT +ATOM 57161 OH2 TIP3 16951 -25.343 0.244 35.379 1.00 0.00 WAT +ATOM 57162 H1 TIP3 16951 -25.915 0.066 34.608 1.00 0.00 WAT +ATOM 57163 H2 TIP3 16951 -25.223 1.206 35.262 1.00 0.00 WAT +ATOM 57164 OH2 TIP3 16952 -27.213 8.858 35.420 1.00 0.00 WAT +ATOM 57165 H1 TIP3 16952 -27.393 8.138 36.045 1.00 0.00 WAT +ATOM 57166 H2 TIP3 16952 -26.570 8.470 34.813 1.00 0.00 WAT +ATOM 57167 OH2 TIP3 16953 -30.063 4.376 42.447 1.00 0.00 WAT +ATOM 57168 H1 TIP3 16953 -30.925 4.019 42.712 1.00 0.00 WAT +ATOM 57169 H2 TIP3 16953 -29.645 3.612 42.008 1.00 0.00 WAT +ATOM 57170 OH2 TIP3 16954 -37.264 8.273 38.705 1.00 0.00 WAT +ATOM 57171 H1 TIP3 16954 -36.852 9.149 38.750 1.00 0.00 WAT +ATOM 57172 H2 TIP3 16954 -38.202 8.497 38.653 1.00 0.00 WAT +ATOM 57173 OH2 TIP3 16955 -41.515 3.273 33.582 1.00 0.00 WAT +ATOM 57174 H1 TIP3 16955 -40.796 3.806 33.977 1.00 0.00 WAT +ATOM 57175 H2 TIP3 16955 -42.277 3.831 33.778 1.00 0.00 WAT +ATOM 57176 OH2 TIP3 16956 -35.430 5.993 38.612 1.00 0.00 WAT +ATOM 57177 H1 TIP3 16956 -35.777 6.900 38.614 1.00 0.00 WAT +ATOM 57178 H2 TIP3 16956 -36.198 5.488 38.926 1.00 0.00 WAT +ATOM 57179 OH2 TIP3 16957 -36.812 11.217 38.101 1.00 0.00 WAT +ATOM 57180 H1 TIP3 16957 -37.767 11.346 38.197 1.00 0.00 WAT +ATOM 57181 H2 TIP3 16957 -36.464 12.084 38.386 1.00 0.00 WAT +ATOM 57182 OH2 TIP3 16958 -29.700 7.295 33.356 1.00 0.00 WAT +ATOM 57183 H1 TIP3 16958 -29.259 6.852 34.105 1.00 0.00 WAT +ATOM 57184 H2 TIP3 16958 -30.622 7.149 33.624 1.00 0.00 WAT +ATOM 57185 OH2 TIP3 16959 -24.949 11.556 33.894 1.00 0.00 WAT +ATOM 57186 H1 TIP3 16959 -24.257 12.213 33.702 1.00 0.00 WAT +ATOM 57187 H2 TIP3 16959 -25.719 12.154 33.926 1.00 0.00 WAT +ATOM 57188 OH2 TIP3 16960 -28.730 5.887 35.719 1.00 0.00 WAT +ATOM 57189 H1 TIP3 16960 -28.997 5.192 36.344 1.00 0.00 WAT +ATOM 57190 H2 TIP3 16960 -27.766 5.905 35.844 1.00 0.00 WAT +ATOM 57191 OH2 TIP3 16961 -35.462 8.343 31.930 1.00 0.00 WAT +ATOM 57192 H1 TIP3 16961 -35.154 7.553 31.448 1.00 0.00 WAT +ATOM 57193 H2 TIP3 16961 -35.870 7.938 32.714 1.00 0.00 WAT +ATOM 57194 OH2 TIP3 16962 -36.639 7.859 34.662 1.00 0.00 WAT +ATOM 57195 H1 TIP3 16962 -36.114 7.320 35.273 1.00 0.00 WAT +ATOM 57196 H2 TIP3 16962 -36.473 8.766 34.995 1.00 0.00 WAT +ATOM 57197 OH2 TIP3 16963 -39.874 5.277 34.979 1.00 0.00 WAT +ATOM 57198 H1 TIP3 16963 -40.564 5.684 35.557 1.00 0.00 WAT +ATOM 57199 H2 TIP3 16963 -39.351 6.069 34.779 1.00 0.00 WAT +ATOM 57200 OH2 TIP3 16964 -31.451 -2.784 36.322 1.00 0.00 WAT +ATOM 57201 H1 TIP3 16964 -31.258 -2.233 35.550 1.00 0.00 WAT +ATOM 57202 H2 TIP3 16964 -31.012 -2.292 37.040 1.00 0.00 WAT +ATOM 57203 OH2 TIP3 16965 -33.661 9.480 35.280 1.00 0.00 WAT +ATOM 57204 H1 TIP3 16965 -34.469 9.985 35.464 1.00 0.00 WAT +ATOM 57205 H2 TIP3 16965 -33.285 9.964 34.534 1.00 0.00 WAT +ATOM 57206 OH2 TIP3 16966 -34.074 -0.764 37.263 1.00 0.00 WAT +ATOM 57207 H1 TIP3 16966 -33.289 -0.204 37.429 1.00 0.00 WAT +ATOM 57208 H2 TIP3 16966 -34.354 -0.985 38.173 1.00 0.00 WAT +ATOM 57209 OH2 TIP3 16967 -33.513 -3.774 38.163 1.00 0.00 WAT +ATOM 57210 H1 TIP3 16967 -33.592 -3.182 38.932 1.00 0.00 WAT +ATOM 57211 H2 TIP3 16967 -32.726 -3.398 37.722 1.00 0.00 WAT +ATOM 57212 OH2 TIP3 16968 -36.464 10.571 35.273 1.00 0.00 WAT +ATOM 57213 H1 TIP3 16968 -36.526 11.398 34.754 1.00 0.00 WAT +ATOM 57214 H2 TIP3 16968 -36.580 10.893 36.188 1.00 0.00 WAT +ATOM 57215 OH2 TIP3 16969 -37.737 -2.767 34.802 1.00 0.00 WAT +ATOM 57216 H1 TIP3 16969 -37.655 -1.966 35.347 1.00 0.00 WAT +ATOM 57217 H2 TIP3 16969 -36.922 -3.248 35.053 1.00 0.00 WAT +ATOM 57218 OH2 TIP3 16970 -28.964 2.022 41.366 1.00 0.00 WAT +ATOM 57219 H1 TIP3 16970 -29.746 1.521 41.080 1.00 0.00 WAT +ATOM 57220 H2 TIP3 16970 -28.391 1.301 41.725 1.00 0.00 WAT +ATOM 57221 OH2 TIP3 16971 -39.304 8.173 33.788 1.00 0.00 WAT +ATOM 57222 H1 TIP3 16971 -38.530 8.553 34.238 1.00 0.00 WAT +ATOM 57223 H2 TIP3 16971 -38.853 7.574 33.176 1.00 0.00 WAT +ATOM 57224 OH2 TIP3 16972 -41.092 0.296 32.927 1.00 0.00 WAT +ATOM 57225 H1 TIP3 16972 -41.101 1.221 33.216 1.00 0.00 WAT +ATOM 57226 H2 TIP3 16972 -41.950 0.156 32.518 1.00 0.00 WAT +ATOM 57227 OH2 TIP3 16973 -27.962 11.675 43.617 1.00 0.00 WAT +ATOM 57228 H1 TIP3 16973 -28.248 12.242 42.875 1.00 0.00 WAT +ATOM 57229 H2 TIP3 16973 -27.008 11.731 43.479 1.00 0.00 WAT +ATOM 57230 OH2 TIP3 16974 -40.239 -4.827 41.675 1.00 0.00 WAT +ATOM 57231 H1 TIP3 16974 -40.574 -4.776 40.761 1.00 0.00 WAT +ATOM 57232 H2 TIP3 16974 -40.745 -5.562 42.045 1.00 0.00 WAT +ATOM 57233 OH2 TIP3 16975 -41.367 8.906 37.980 1.00 0.00 WAT +ATOM 57234 H1 TIP3 16975 -42.270 9.255 38.021 1.00 0.00 WAT +ATOM 57235 H2 TIP3 16975 -41.031 9.296 37.164 1.00 0.00 WAT +ATOM 57236 OH2 TIP3 16976 -33.232 10.057 32.422 1.00 0.00 WAT +ATOM 57237 H1 TIP3 16976 -33.980 9.425 32.341 1.00 0.00 WAT +ATOM 57238 H2 TIP3 16976 -32.510 9.506 32.078 1.00 0.00 WAT +ATOM 57239 OH2 TIP3 16977 -28.602 9.947 32.523 1.00 0.00 WAT +ATOM 57240 H1 TIP3 16977 -28.449 9.168 33.086 1.00 0.00 WAT +ATOM 57241 H2 TIP3 16977 -27.778 9.985 32.010 1.00 0.00 WAT +ATOM 57242 OH2 TIP3 16978 -37.810 5.774 32.281 1.00 0.00 WAT +ATOM 57243 H1 TIP3 16978 -37.628 5.184 33.032 1.00 0.00 WAT +ATOM 57244 H2 TIP3 16978 -36.952 5.742 31.814 1.00 0.00 WAT +ATOM 57245 OH2 TIP3 16979 -32.582 7.110 31.888 1.00 0.00 WAT +ATOM 57246 H1 TIP3 16979 -32.596 7.063 32.861 1.00 0.00 WAT +ATOM 57247 H2 TIP3 16979 -32.612 6.153 31.674 1.00 0.00 WAT +ATOM 57248 OH2 TIP3 16980 -36.738 3.879 34.611 1.00 0.00 WAT +ATOM 57249 H1 TIP3 16980 -37.329 3.350 35.168 1.00 0.00 WAT +ATOM 57250 H2 TIP3 16980 -36.423 3.201 33.977 1.00 0.00 WAT +ATOM 57251 OH2 TIP3 16981 -35.753 1.901 32.879 1.00 0.00 WAT +ATOM 57252 H1 TIP3 16981 -35.789 1.946 31.907 1.00 0.00 WAT +ATOM 57253 H2 TIP3 16981 -34.791 1.836 33.033 1.00 0.00 WAT +ATOM 57254 OH2 TIP3 16982 -26.238 4.400 32.194 1.00 0.00 WAT +ATOM 57255 H1 TIP3 16982 -26.361 3.972 31.336 1.00 0.00 WAT +ATOM 57256 H2 TIP3 16982 -26.364 5.344 31.957 1.00 0.00 WAT +ATOM 57257 OH2 TIP3 16983 -36.011 13.153 33.979 1.00 0.00 WAT +ATOM 57258 H1 TIP3 16983 -35.053 13.213 34.110 1.00 0.00 WAT +ATOM 57259 H2 TIP3 16983 -36.099 13.492 33.081 1.00 0.00 WAT +ATOM 57260 OH2 TIP3 16984 -41.992 8.011 33.045 1.00 0.00 WAT +ATOM 57261 H1 TIP3 16984 -41.219 7.956 33.640 1.00 0.00 WAT +ATOM 57262 H2 TIP3 16984 -42.167 7.081 32.839 1.00 0.00 WAT +ATOM 57263 OH2 TIP3 16985 -42.748 10.780 40.168 1.00 0.00 WAT +ATOM 57264 H1 TIP3 16985 -42.756 9.877 40.538 1.00 0.00 WAT +ATOM 57265 H2 TIP3 16985 -42.451 11.248 40.968 1.00 0.00 WAT +ATOM 57266 OH2 TIP3 16986 -25.183 12.088 42.860 1.00 0.00 WAT +ATOM 57267 H1 TIP3 16986 -25.095 11.834 43.794 1.00 0.00 WAT +ATOM 57268 H2 TIP3 16986 -24.253 12.175 42.613 1.00 0.00 WAT +ATOM 57269 OH2 TIP3 16987 -25.846 5.765 36.126 1.00 0.00 WAT +ATOM 57270 H1 TIP3 16987 -24.943 6.083 36.309 1.00 0.00 WAT +ATOM 57271 H2 TIP3 16987 -25.953 5.136 36.862 1.00 0.00 WAT +ATOM 57272 OH2 TIP3 16988 -25.367 3.703 38.120 1.00 0.00 WAT +ATOM 57273 H1 TIP3 16988 -26.065 3.174 38.551 1.00 0.00 WAT +ATOM 57274 H2 TIP3 16988 -24.708 3.821 38.834 1.00 0.00 WAT +ATOM 57275 OH2 TIP3 16989 -25.484 6.058 43.371 1.00 0.00 WAT +ATOM 57276 H1 TIP3 16989 -25.014 5.524 42.722 1.00 0.00 WAT +ATOM 57277 H2 TIP3 16989 -25.648 6.888 42.903 1.00 0.00 WAT +ATOM 57278 OH2 TIP3 16990 -25.127 3.175 34.676 1.00 0.00 WAT +ATOM 57279 H1 TIP3 16990 -25.652 3.471 33.909 1.00 0.00 WAT +ATOM 57280 H2 TIP3 16990 -25.271 3.910 35.294 1.00 0.00 WAT +ATOM 57281 OH2 TIP3 16991 -26.892 0.743 32.944 1.00 0.00 WAT +ATOM 57282 H1 TIP3 16991 -26.616 1.314 32.217 1.00 0.00 WAT +ATOM 57283 H2 TIP3 16991 -27.123 -0.090 32.488 1.00 0.00 WAT +ATOM 57284 OH2 TIP3 16992 -27.511 1.865 38.919 1.00 0.00 WAT +ATOM 57285 H1 TIP3 16992 -27.540 0.902 38.793 1.00 0.00 WAT +ATOM 57286 H2 TIP3 16992 -27.843 1.962 39.832 1.00 0.00 WAT +ATOM 57287 OH2 TIP3 16993 -42.293 4.410 43.055 1.00 0.00 WAT +ATOM 57288 H1 TIP3 16993 -42.399 4.413 42.095 1.00 0.00 WAT +ATOM 57289 H2 TIP3 16993 -41.410 4.030 43.147 1.00 0.00 WAT +ATOM 57290 OH2 TIP3 16994 -27.399 -1.918 32.150 1.00 0.00 WAT +ATOM 57291 H1 TIP3 16994 -26.819 -2.419 32.751 1.00 0.00 WAT +ATOM 57292 H2 TIP3 16994 -28.202 -2.459 32.099 1.00 0.00 WAT +ATOM 57293 OH2 TIP3 16995 -27.600 -0.641 37.088 1.00 0.00 WAT +ATOM 57294 H1 TIP3 16995 -27.364 -1.590 37.163 1.00 0.00 WAT +ATOM 57295 H2 TIP3 16995 -26.784 -0.289 36.693 1.00 0.00 WAT +ATOM 57296 OH2 TIP3 16996 -27.356 0.090 42.222 1.00 0.00 WAT +ATOM 57297 H1 TIP3 16996 -26.404 0.001 42.393 1.00 0.00 WAT +ATOM 57298 H2 TIP3 16996 -27.745 -0.263 43.045 1.00 0.00 WAT +ATOM 57299 OH2 TIP3 16997 -27.120 -3.438 37.065 1.00 0.00 WAT +ATOM 57300 H1 TIP3 16997 -27.017 -3.756 37.982 1.00 0.00 WAT +ATOM 57301 H2 TIP3 16997 -27.925 -3.922 36.785 1.00 0.00 WAT +ATOM 57302 OH2 TIP3 16998 -41.707 -1.916 41.979 1.00 0.00 WAT +ATOM 57303 H1 TIP3 16998 -41.735 -2.880 42.086 1.00 0.00 WAT +ATOM 57304 H2 TIP3 16998 -41.048 -1.687 42.645 1.00 0.00 WAT +ATOM 57305 OH2 TIP3 16999 -43.466 0.624 43.175 1.00 0.00 WAT +ATOM 57306 H1 TIP3 16999 -43.115 0.097 42.440 1.00 0.00 WAT +ATOM 57307 H2 TIP3 16999 -42.877 1.386 43.172 1.00 0.00 WAT +ATOM 57308 OH2 TIP3 17000 -25.159 -2.944 33.723 1.00 0.00 WAT +ATOM 57309 H1 TIP3 17000 -24.845 -3.761 33.298 1.00 0.00 WAT +ATOM 57310 H2 TIP3 17000 -24.334 -2.445 33.840 1.00 0.00 WAT +ATOM 57311 OH2 TIP3 17001 -43.158 -3.411 36.494 1.00 0.00 WAT +ATOM 57312 H1 TIP3 17001 -44.017 -3.169 36.109 1.00 0.00 WAT +ATOM 57313 H2 TIP3 17001 -42.586 -2.693 36.141 1.00 0.00 WAT +ATOM 57314 OH2 TIP3 17002 -28.326 12.078 38.993 1.00 0.00 WAT +ATOM 57315 H1 TIP3 17002 -27.802 11.784 38.229 1.00 0.00 WAT +ATOM 57316 H2 TIP3 17002 -27.639 12.411 39.589 1.00 0.00 WAT +ATOM 57317 OH2 TIP3 17003 -41.551 11.217 42.642 1.00 0.00 WAT +ATOM 57318 H1 TIP3 17003 -41.278 11.182 43.577 1.00 0.00 WAT +ATOM 57319 H2 TIP3 17003 -40.693 11.019 42.232 1.00 0.00 WAT +ATOM 57320 OH2 TIP3 17004 -39.092 10.225 41.146 1.00 0.00 WAT +ATOM 57321 H1 TIP3 17004 -39.235 9.306 41.455 1.00 0.00 WAT +ATOM 57322 H2 TIP3 17004 -38.198 10.405 41.494 1.00 0.00 WAT +ATOM 57323 OH2 TIP3 17005 -36.344 10.689 42.125 1.00 0.00 WAT +ATOM 57324 H1 TIP3 17005 -36.086 9.807 41.819 1.00 0.00 WAT +ATOM 57325 H2 TIP3 17005 -36.261 10.583 43.080 1.00 0.00 WAT +ATOM 57326 OH2 TIP3 17006 -33.025 -3.315 41.221 1.00 0.00 WAT +ATOM 57327 H1 TIP3 17006 -33.596 -4.045 41.534 1.00 0.00 WAT +ATOM 57328 H2 TIP3 17006 -32.311 -3.812 40.770 1.00 0.00 WAT +ATOM 57329 OH2 TIP3 17007 -28.051 -4.585 41.489 1.00 0.00 WAT +ATOM 57330 H1 TIP3 17007 -27.216 -5.020 41.282 1.00 0.00 WAT +ATOM 57331 H2 TIP3 17007 -28.741 -5.207 41.245 1.00 0.00 WAT +ATOM 57332 OH2 TIP3 17008 -25.876 -4.304 39.553 1.00 0.00 WAT +ATOM 57333 H1 TIP3 17008 -25.125 -4.665 39.052 1.00 0.00 WAT +ATOM 57334 H2 TIP3 17008 -25.603 -3.385 39.728 1.00 0.00 WAT +ATOM 57335 OH2 TIP3 17009 -41.068 -4.833 38.854 1.00 0.00 WAT +ATOM 57336 H1 TIP3 17009 -41.807 -5.114 38.298 1.00 0.00 WAT +ATOM 57337 H2 TIP3 17009 -40.457 -5.584 38.746 1.00 0.00 WAT +ATOM 57338 OH2 TIP3 17010 -41.802 -5.228 34.699 1.00 0.00 WAT +ATOM 57339 H1 TIP3 17010 -41.316 -4.547 34.197 1.00 0.00 WAT +ATOM 57340 H2 TIP3 17010 -42.339 -4.682 35.302 1.00 0.00 WAT +ATOM 57341 OH2 TIP3 17011 -36.123 -4.916 38.915 1.00 0.00 WAT +ATOM 57342 H1 TIP3 17011 -35.228 -4.588 38.722 1.00 0.00 WAT +ATOM 57343 H2 TIP3 17011 -36.075 -5.042 39.873 1.00 0.00 WAT +ATOM 57344 OH2 TIP3 17012 -30.809 -4.780 39.978 1.00 0.00 WAT +ATOM 57345 H1 TIP3 17012 -30.300 -5.040 39.202 1.00 0.00 WAT +ATOM 57346 H2 TIP3 17012 -30.986 -5.630 40.412 1.00 0.00 WAT +ATOM 57347 OH2 TIP3 17013 -29.442 -4.836 36.160 1.00 0.00 WAT +ATOM 57348 H1 TIP3 17013 -30.263 -4.321 36.038 1.00 0.00 WAT +ATOM 57349 H2 TIP3 17013 -29.802 -5.730 36.290 1.00 0.00 WAT +ATOM 57350 OH2 TIP3 17014 -41.893 10.794 35.728 1.00 0.00 WAT +ATOM 57351 H1 TIP3 17014 -42.505 10.617 35.006 1.00 0.00 WAT +ATOM 57352 H2 TIP3 17014 -41.828 11.757 35.710 1.00 0.00 WAT +ATOM 57353 OH2 TIP3 17015 -40.043 -3.295 33.202 1.00 0.00 WAT +ATOM 57354 H1 TIP3 17015 -39.509 -3.939 32.706 1.00 0.00 WAT +ATOM 57355 H2 TIP3 17015 -39.424 -3.055 33.919 1.00 0.00 WAT +ATOM 57356 OH2 TIP3 17016 -35.010 -3.205 35.829 1.00 0.00 WAT +ATOM 57357 H1 TIP3 17016 -34.629 -3.776 36.518 1.00 0.00 WAT +ATOM 57358 H2 TIP3 17016 -34.791 -2.338 36.205 1.00 0.00 WAT +ATOM 57359 OH2 TIP3 17017 -32.959 12.595 34.025 1.00 0.00 WAT +ATOM 57360 H1 TIP3 17017 -31.982 12.600 34.012 1.00 0.00 WAT +ATOM 57361 H2 TIP3 17017 -33.132 11.904 33.365 1.00 0.00 WAT +ATOM 57362 OH2 TIP3 17018 -26.449 11.610 36.636 1.00 0.00 WAT +ATOM 57363 H1 TIP3 17018 -26.689 10.782 36.176 1.00 0.00 WAT +ATOM 57364 H2 TIP3 17018 -26.479 12.251 35.907 1.00 0.00 WAT +ATOM 57365 OH2 TIP3 17019 -40.093 11.821 32.720 1.00 0.00 WAT +ATOM 57366 H1 TIP3 17019 -40.404 11.948 33.627 1.00 0.00 WAT +ATOM 57367 H2 TIP3 17019 -39.427 11.122 32.834 1.00 0.00 WAT +ATOM 57368 OH2 TIP3 17020 -12.816 4.020 39.221 1.00 0.00 WAT +ATOM 57369 H1 TIP3 17020 -12.756 4.987 39.297 1.00 0.00 WAT +ATOM 57370 H2 TIP3 17020 -13.516 3.921 38.560 1.00 0.00 WAT +ATOM 57371 OH2 TIP3 17021 -13.849 3.420 42.463 1.00 0.00 WAT +ATOM 57372 H1 TIP3 17021 -13.905 2.679 43.091 1.00 0.00 WAT +ATOM 57373 H2 TIP3 17021 -13.967 2.978 41.612 1.00 0.00 WAT +ATOM 57374 OH2 TIP3 17022 -10.264 6.171 40.430 1.00 0.00 WAT +ATOM 57375 H1 TIP3 17022 -10.643 5.518 41.041 1.00 0.00 WAT +ATOM 57376 H2 TIP3 17022 -9.916 6.799 41.105 1.00 0.00 WAT +ATOM 57377 OH2 TIP3 17023 -20.737 7.647 42.468 1.00 0.00 WAT +ATOM 57378 H1 TIP3 17023 -21.006 6.740 42.235 1.00 0.00 WAT +ATOM 57379 H2 TIP3 17023 -19.779 7.490 42.583 1.00 0.00 WAT +ATOM 57380 OH2 TIP3 17024 -23.763 1.147 37.760 1.00 0.00 WAT +ATOM 57381 H1 TIP3 17024 -24.194 2.011 37.871 1.00 0.00 WAT +ATOM 57382 H2 TIP3 17024 -24.487 0.609 37.420 1.00 0.00 WAT +ATOM 57383 OH2 TIP3 17025 -23.015 3.495 39.745 1.00 0.00 WAT +ATOM 57384 H1 TIP3 17025 -22.811 2.718 40.299 1.00 0.00 WAT +ATOM 57385 H2 TIP3 17025 -22.184 3.611 39.272 1.00 0.00 WAT +ATOM 57386 OH2 TIP3 17026 -13.241 11.590 41.125 1.00 0.00 WAT +ATOM 57387 H1 TIP3 17026 -12.600 10.919 40.831 1.00 0.00 WAT +ATOM 57388 H2 TIP3 17026 -13.496 11.274 42.006 1.00 0.00 WAT +ATOM 57389 OH2 TIP3 17027 -15.817 5.699 42.773 1.00 0.00 WAT +ATOM 57390 H1 TIP3 17027 -15.373 5.028 42.232 1.00 0.00 WAT +ATOM 57391 H2 TIP3 17027 -15.019 6.065 43.210 1.00 0.00 WAT +ATOM 57392 OH2 TIP3 17028 -12.315 0.453 43.222 1.00 0.00 WAT +ATOM 57393 H1 TIP3 17028 -11.894 -0.399 43.423 1.00 0.00 WAT +ATOM 57394 H2 TIP3 17028 -12.251 0.503 42.250 1.00 0.00 WAT +ATOM 57395 OH2 TIP3 17029 -19.205 -1.683 40.420 1.00 0.00 WAT +ATOM 57396 H1 TIP3 17029 -19.038 -0.834 39.973 1.00 0.00 WAT +ATOM 57397 H2 TIP3 17029 -19.528 -2.209 39.663 1.00 0.00 WAT +ATOM 57398 OH2 TIP3 17030 -11.318 -1.483 38.642 1.00 0.00 WAT +ATOM 57399 H1 TIP3 17030 -10.793 -1.871 39.384 1.00 0.00 WAT +ATOM 57400 H2 TIP3 17030 -10.611 -1.030 38.162 1.00 0.00 WAT +ATOM 57401 OH2 TIP3 17031 -22.206 0.999 40.987 1.00 0.00 WAT +ATOM 57402 H1 TIP3 17031 -21.810 0.345 41.567 1.00 0.00 WAT +ATOM 57403 H2 TIP3 17031 -22.215 0.525 40.137 1.00 0.00 WAT +ATOM 57404 OH2 TIP3 17032 -17.159 2.401 40.554 1.00 0.00 WAT +ATOM 57405 H1 TIP3 17032 -16.413 1.841 40.832 1.00 0.00 WAT +ATOM 57406 H2 TIP3 17032 -17.609 1.814 39.915 1.00 0.00 WAT +ATOM 57407 OH2 TIP3 17033 -12.830 6.897 37.922 1.00 0.00 WAT +ATOM 57408 H1 TIP3 17033 -13.176 6.668 37.056 1.00 0.00 WAT +ATOM 57409 H2 TIP3 17033 -13.287 7.735 38.117 1.00 0.00 WAT +ATOM 57410 OH2 TIP3 17034 -9.567 -2.016 40.655 1.00 0.00 WAT +ATOM 57411 H1 TIP3 17034 -9.571 -2.943 41.001 1.00 0.00 WAT +ATOM 57412 H2 TIP3 17034 -9.057 -1.585 41.359 1.00 0.00 WAT +ATOM 57413 OH2 TIP3 17035 -19.953 -0.763 42.982 1.00 0.00 WAT +ATOM 57414 H1 TIP3 17035 -20.140 0.159 42.781 1.00 0.00 WAT +ATOM 57415 H2 TIP3 17035 -20.003 -1.206 42.112 1.00 0.00 WAT +ATOM 57416 OH2 TIP3 17036 -23.083 6.593 36.266 1.00 0.00 WAT +ATOM 57417 H1 TIP3 17036 -23.305 7.100 35.467 1.00 0.00 WAT +ATOM 57418 H2 TIP3 17036 -22.928 7.290 36.939 1.00 0.00 WAT +ATOM 57419 OH2 TIP3 17037 -9.559 7.645 42.516 1.00 0.00 WAT +ATOM 57420 H1 TIP3 17037 -10.212 7.566 43.239 1.00 0.00 WAT +ATOM 57421 H2 TIP3 17037 -9.043 8.398 42.814 1.00 0.00 WAT +ATOM 57422 OH2 TIP3 17038 -16.241 -5.303 41.775 1.00 0.00 WAT +ATOM 57423 H1 TIP3 17038 -16.287 -6.272 41.830 1.00 0.00 WAT +ATOM 57424 H2 TIP3 17038 -17.071 -5.046 42.223 1.00 0.00 WAT +ATOM 57425 OH2 TIP3 17039 -11.344 10.004 39.613 1.00 0.00 WAT +ATOM 57426 H1 TIP3 17039 -10.878 9.189 39.344 1.00 0.00 WAT +ATOM 57427 H2 TIP3 17039 -10.668 10.678 39.406 1.00 0.00 WAT +ATOM 57428 OH2 TIP3 17040 -9.865 7.813 38.211 1.00 0.00 WAT +ATOM 57429 H1 TIP3 17040 -10.450 7.361 37.589 1.00 0.00 WAT +ATOM 57430 H2 TIP3 17040 -9.926 7.212 38.982 1.00 0.00 WAT +ATOM 57431 OH2 TIP3 17041 -14.096 3.570 36.424 1.00 0.00 WAT +ATOM 57432 H1 TIP3 17041 -14.761 4.166 36.030 1.00 0.00 WAT +ATOM 57433 H2 TIP3 17041 -13.380 3.608 35.768 1.00 0.00 WAT +ATOM 57434 OH2 TIP3 17042 -13.811 1.787 33.433 1.00 0.00 WAT +ATOM 57435 H1 TIP3 17042 -13.128 2.068 34.070 1.00 0.00 WAT +ATOM 57436 H2 TIP3 17042 -13.303 1.167 32.890 1.00 0.00 WAT +ATOM 57437 OH2 TIP3 17043 -10.604 3.561 37.503 1.00 0.00 WAT +ATOM 57438 H1 TIP3 17043 -11.262 3.787 38.196 1.00 0.00 WAT +ATOM 57439 H2 TIP3 17043 -9.991 3.000 38.012 1.00 0.00 WAT +ATOM 57440 OH2 TIP3 17044 -18.959 4.379 39.238 1.00 0.00 WAT +ATOM 57441 H1 TIP3 17044 -19.330 3.918 38.461 1.00 0.00 WAT +ATOM 57442 H2 TIP3 17044 -18.400 3.695 39.639 1.00 0.00 WAT +ATOM 57443 OH2 TIP3 17045 -17.975 7.556 41.550 1.00 0.00 WAT +ATOM 57444 H1 TIP3 17045 -17.737 7.107 40.729 1.00 0.00 WAT +ATOM 57445 H2 TIP3 17045 -17.177 7.456 42.087 1.00 0.00 WAT +ATOM 57446 OH2 TIP3 17046 -18.795 3.227 42.696 1.00 0.00 WAT +ATOM 57447 H1 TIP3 17046 -18.111 3.072 42.016 1.00 0.00 WAT +ATOM 57448 H2 TIP3 17046 -18.268 3.435 43.476 1.00 0.00 WAT +ATOM 57449 OH2 TIP3 17047 -11.635 3.027 34.944 1.00 0.00 WAT +ATOM 57450 H1 TIP3 17047 -11.170 3.292 35.766 1.00 0.00 WAT +ATOM 57451 H2 TIP3 17047 -11.132 3.545 34.269 1.00 0.00 WAT +ATOM 57452 OH2 TIP3 17048 -14.183 9.611 38.521 1.00 0.00 WAT +ATOM 57453 H1 TIP3 17048 -13.693 9.927 39.289 1.00 0.00 WAT +ATOM 57454 H2 TIP3 17048 -14.680 10.395 38.245 1.00 0.00 WAT +ATOM 57455 OH2 TIP3 17049 -8.144 -5.346 34.553 1.00 0.00 WAT +ATOM 57456 H1 TIP3 17049 -9.067 -5.183 34.824 1.00 0.00 WAT +ATOM 57457 H2 TIP3 17049 -7.811 -4.439 34.447 1.00 0.00 WAT +ATOM 57458 OH2 TIP3 17050 -20.061 3.094 36.810 1.00 0.00 WAT +ATOM 57459 H1 TIP3 17050 -20.291 3.839 36.229 1.00 0.00 WAT +ATOM 57460 H2 TIP3 17050 -20.709 2.427 36.546 1.00 0.00 WAT +ATOM 57461 OH2 TIP3 17051 -6.816 8.920 33.012 1.00 0.00 WAT +ATOM 57462 H1 TIP3 17051 -6.606 9.863 33.155 1.00 0.00 WAT +ATOM 57463 H2 TIP3 17051 -5.954 8.498 33.198 1.00 0.00 WAT +ATOM 57464 OH2 TIP3 17052 -23.847 8.540 42.291 1.00 0.00 WAT +ATOM 57465 H1 TIP3 17052 -22.899 8.460 42.463 1.00 0.00 WAT +ATOM 57466 H2 TIP3 17052 -24.120 9.242 42.895 1.00 0.00 WAT +ATOM 57467 OH2 TIP3 17053 -14.629 12.330 36.987 1.00 0.00 WAT +ATOM 57468 H1 TIP3 17053 -14.623 12.456 36.024 1.00 0.00 WAT +ATOM 57469 H2 TIP3 17053 -14.614 13.239 37.325 1.00 0.00 WAT +ATOM 57470 OH2 TIP3 17054 -20.819 11.457 38.619 1.00 0.00 WAT +ATOM 57471 H1 TIP3 17054 -20.684 11.001 39.474 1.00 0.00 WAT +ATOM 57472 H2 TIP3 17054 -21.672 11.095 38.342 1.00 0.00 WAT +ATOM 57473 OH2 TIP3 17055 -11.352 11.754 34.161 1.00 0.00 WAT +ATOM 57474 H1 TIP3 17055 -10.757 11.098 33.750 1.00 0.00 WAT +ATOM 57475 H2 TIP3 17055 -11.411 11.409 35.079 1.00 0.00 WAT +ATOM 57476 OH2 TIP3 17056 -11.974 11.172 36.921 1.00 0.00 WAT +ATOM 57477 H1 TIP3 17056 -12.913 11.324 37.131 1.00 0.00 WAT +ATOM 57478 H2 TIP3 17056 -11.751 10.508 37.596 1.00 0.00 WAT +ATOM 57479 OH2 TIP3 17057 -18.670 -4.402 42.901 1.00 0.00 WAT +ATOM 57480 H1 TIP3 17057 -19.513 -4.510 42.424 1.00 0.00 WAT +ATOM 57481 H2 TIP3 17057 -18.640 -3.447 43.078 1.00 0.00 WAT +ATOM 57482 OH2 TIP3 17058 -10.097 4.100 32.932 1.00 0.00 WAT +ATOM 57483 H1 TIP3 17058 -10.264 3.886 31.998 1.00 0.00 WAT +ATOM 57484 H2 TIP3 17058 -9.152 4.336 32.904 1.00 0.00 WAT +ATOM 57485 OH2 TIP3 17059 -14.453 -2.126 33.448 1.00 0.00 WAT +ATOM 57486 H1 TIP3 17059 -14.937 -2.278 34.274 1.00 0.00 WAT +ATOM 57487 H2 TIP3 17059 -14.851 -2.812 32.883 1.00 0.00 WAT +ATOM 57488 OH2 TIP3 17060 -18.794 0.667 38.833 1.00 0.00 WAT +ATOM 57489 H1 TIP3 17060 -19.752 0.563 38.680 1.00 0.00 WAT +ATOM 57490 H2 TIP3 17060 -18.451 0.420 37.952 1.00 0.00 WAT +ATOM 57491 OH2 TIP3 17061 -13.206 1.212 37.638 1.00 0.00 WAT +ATOM 57492 H1 TIP3 17061 -13.619 2.025 37.277 1.00 0.00 WAT +ATOM 57493 H2 TIP3 17061 -12.521 1.035 36.973 1.00 0.00 WAT +ATOM 57494 OH2 TIP3 17062 -12.419 0.614 40.424 1.00 0.00 WAT +ATOM 57495 H1 TIP3 17062 -12.692 1.159 39.659 1.00 0.00 WAT +ATOM 57496 H2 TIP3 17062 -12.197 -0.215 39.956 1.00 0.00 WAT +ATOM 57497 OH2 TIP3 17063 -18.026 -1.640 32.353 1.00 0.00 WAT +ATOM 57498 H1 TIP3 17063 -18.358 -2.021 33.192 1.00 0.00 WAT +ATOM 57499 H2 TIP3 17063 -18.830 -1.589 31.823 1.00 0.00 WAT +ATOM 57500 OH2 TIP3 17064 -24.504 -1.726 39.409 1.00 0.00 WAT +ATOM 57501 H1 TIP3 17064 -23.972 -1.837 40.218 1.00 0.00 WAT +ATOM 57502 H2 TIP3 17064 -24.018 -2.224 38.737 1.00 0.00 WAT +ATOM 57503 OH2 TIP3 17065 -22.984 -1.385 35.119 1.00 0.00 WAT +ATOM 57504 H1 TIP3 17065 -22.425 -0.891 34.488 1.00 0.00 WAT +ATOM 57505 H2 TIP3 17065 -23.673 -0.726 35.321 1.00 0.00 WAT +ATOM 57506 OH2 TIP3 17066 -16.127 -1.701 39.844 1.00 0.00 WAT +ATOM 57507 H1 TIP3 17066 -17.056 -1.841 40.093 1.00 0.00 WAT +ATOM 57508 H2 TIP3 17066 -15.660 -2.011 40.639 1.00 0.00 WAT +ATOM 57509 OH2 TIP3 17067 -21.464 -0.521 38.522 1.00 0.00 WAT +ATOM 57510 H1 TIP3 17067 -22.301 -0.264 38.093 1.00 0.00 WAT +ATOM 57511 H2 TIP3 17067 -21.199 -1.322 38.032 1.00 0.00 WAT +ATOM 57512 OH2 TIP3 17068 -17.846 -0.218 36.207 1.00 0.00 WAT +ATOM 57513 H1 TIP3 17068 -16.878 -0.139 36.272 1.00 0.00 WAT +ATOM 57514 H2 TIP3 17068 -18.088 0.402 35.499 1.00 0.00 WAT +ATOM 57515 OH2 TIP3 17069 -11.703 -3.111 42.819 1.00 0.00 WAT +ATOM 57516 H1 TIP3 17069 -12.064 -2.761 43.647 1.00 0.00 WAT +ATOM 57517 H2 TIP3 17069 -12.440 -3.040 42.197 1.00 0.00 WAT +ATOM 57518 OH2 TIP3 17070 -19.403 1.057 33.993 1.00 0.00 WAT +ATOM 57519 H1 TIP3 17070 -19.995 0.733 33.298 1.00 0.00 WAT +ATOM 57520 H2 TIP3 17070 -18.587 1.218 33.491 1.00 0.00 WAT +ATOM 57521 OH2 TIP3 17071 -15.159 0.651 41.919 1.00 0.00 WAT +ATOM 57522 H1 TIP3 17071 -14.450 0.317 41.346 1.00 0.00 WAT +ATOM 57523 H2 TIP3 17071 -15.130 0.005 42.640 1.00 0.00 WAT +ATOM 57524 OH2 TIP3 17072 -19.721 -2.809 37.848 1.00 0.00 WAT +ATOM 57525 H1 TIP3 17072 -20.280 -3.589 38.003 1.00 0.00 WAT +ATOM 57526 H2 TIP3 17072 -18.918 -3.199 37.477 1.00 0.00 WAT +ATOM 57527 OH2 TIP3 17073 -15.934 5.625 35.823 1.00 0.00 WAT +ATOM 57528 H1 TIP3 17073 -16.689 5.107 35.471 1.00 0.00 WAT +ATOM 57529 H2 TIP3 17073 -16.119 5.647 36.788 1.00 0.00 WAT +ATOM 57530 OH2 TIP3 17074 -11.764 -1.527 33.570 1.00 0.00 WAT +ATOM 57531 H1 TIP3 17074 -12.746 -1.575 33.563 1.00 0.00 WAT +ATOM 57532 H2 TIP3 17074 -11.575 -0.827 34.229 1.00 0.00 WAT +ATOM 57533 OH2 TIP3 17075 -11.086 0.276 35.631 1.00 0.00 WAT +ATOM 57534 H1 TIP3 17075 -10.218 0.105 36.049 1.00 0.00 WAT +ATOM 57535 H2 TIP3 17075 -10.958 1.156 35.235 1.00 0.00 WAT +ATOM 57536 OH2 TIP3 17076 -20.923 4.740 41.748 1.00 0.00 WAT +ATOM 57537 H1 TIP3 17076 -20.343 4.843 40.981 1.00 0.00 WAT +ATOM 57538 H2 TIP3 17076 -20.442 4.042 42.233 1.00 0.00 WAT +ATOM 57539 OH2 TIP3 17077 -13.535 6.984 34.721 1.00 0.00 WAT +ATOM 57540 H1 TIP3 17077 -13.786 7.842 35.122 1.00 0.00 WAT +ATOM 57541 H2 TIP3 17077 -14.275 6.426 35.020 1.00 0.00 WAT +ATOM 57542 OH2 TIP3 17078 -6.489 0.254 35.392 1.00 0.00 WAT +ATOM 57543 H1 TIP3 17078 -7.050 0.066 34.616 1.00 0.00 WAT +ATOM 57544 H2 TIP3 17078 -6.368 1.216 35.260 1.00 0.00 WAT +ATOM 57545 OH2 TIP3 17079 -8.357 8.905 35.465 1.00 0.00 WAT +ATOM 57546 H1 TIP3 17079 -8.521 8.152 36.053 1.00 0.00 WAT +ATOM 57547 H2 TIP3 17079 -7.741 8.547 34.810 1.00 0.00 WAT +ATOM 57548 OH2 TIP3 17080 -11.155 4.362 42.481 1.00 0.00 WAT +ATOM 57549 H1 TIP3 17080 -12.057 4.059 42.687 1.00 0.00 WAT +ATOM 57550 H2 TIP3 17080 -10.789 3.592 42.003 1.00 0.00 WAT +ATOM 57551 OH2 TIP3 17081 -18.395 8.273 38.678 1.00 0.00 WAT +ATOM 57552 H1 TIP3 17081 -17.997 9.155 38.743 1.00 0.00 WAT +ATOM 57553 H2 TIP3 17081 -19.337 8.484 38.659 1.00 0.00 WAT +ATOM 57554 OH2 TIP3 17082 -22.425 3.100 33.498 1.00 0.00 WAT +ATOM 57555 H1 TIP3 17082 -21.845 3.767 33.909 1.00 0.00 WAT +ATOM 57556 H2 TIP3 17082 -23.295 3.353 33.863 1.00 0.00 WAT +ATOM 57557 OH2 TIP3 17083 -16.578 5.991 38.598 1.00 0.00 WAT +ATOM 57558 H1 TIP3 17083 -16.928 6.898 38.612 1.00 0.00 WAT +ATOM 57559 H2 TIP3 17083 -17.341 5.485 38.925 1.00 0.00 WAT +ATOM 57560 OH2 TIP3 17084 -17.959 11.214 38.114 1.00 0.00 WAT +ATOM 57561 H1 TIP3 17084 -18.918 11.349 38.197 1.00 0.00 WAT +ATOM 57562 H2 TIP3 17084 -17.619 12.090 38.384 1.00 0.00 WAT +ATOM 57563 OH2 TIP3 17085 -10.857 7.286 33.356 1.00 0.00 WAT +ATOM 57564 H1 TIP3 17085 -10.409 6.846 34.102 1.00 0.00 WAT +ATOM 57565 H2 TIP3 17085 -11.777 7.147 33.640 1.00 0.00 WAT +ATOM 57566 OH2 TIP3 17086 -5.962 11.652 33.641 1.00 0.00 WAT +ATOM 57567 H1 TIP3 17086 -5.252 12.318 33.719 1.00 0.00 WAT +ATOM 57568 H2 TIP3 17086 -6.724 12.172 33.942 1.00 0.00 WAT +ATOM 57569 OH2 TIP3 17087 -9.872 5.894 35.719 1.00 0.00 WAT +ATOM 57570 H1 TIP3 17087 -10.138 5.197 36.342 1.00 0.00 WAT +ATOM 57571 H2 TIP3 17087 -8.906 5.907 35.835 1.00 0.00 WAT +ATOM 57572 OH2 TIP3 17088 -16.598 8.314 31.893 1.00 0.00 WAT +ATOM 57573 H1 TIP3 17088 -16.264 7.491 31.488 1.00 0.00 WAT +ATOM 57574 H2 TIP3 17088 -17.013 7.966 32.703 1.00 0.00 WAT +ATOM 57575 OH2 TIP3 17089 -17.734 7.868 34.623 1.00 0.00 WAT +ATOM 57576 H1 TIP3 17089 -17.260 7.334 35.277 1.00 0.00 WAT +ATOM 57577 H2 TIP3 17089 -17.609 8.775 34.975 1.00 0.00 WAT +ATOM 57578 OH2 TIP3 17090 -20.908 5.311 35.031 1.00 0.00 WAT +ATOM 57579 H1 TIP3 17090 -21.639 5.678 35.568 1.00 0.00 WAT +ATOM 57580 H2 TIP3 17090 -20.438 6.125 34.787 1.00 0.00 WAT +ATOM 57581 OH2 TIP3 17091 -12.564 -2.803 36.321 1.00 0.00 WAT +ATOM 57582 H1 TIP3 17091 -12.412 -2.234 35.554 1.00 0.00 WAT +ATOM 57583 H2 TIP3 17091 -12.162 -2.288 37.044 1.00 0.00 WAT +ATOM 57584 OH2 TIP3 17092 -14.818 9.462 35.262 1.00 0.00 WAT +ATOM 57585 H1 TIP3 17092 -15.616 9.973 35.478 1.00 0.00 WAT +ATOM 57586 H2 TIP3 17092 -14.421 9.999 34.566 1.00 0.00 WAT +ATOM 57587 OH2 TIP3 17093 -15.197 -0.774 37.265 1.00 0.00 WAT +ATOM 57588 H1 TIP3 17093 -14.428 -0.195 37.444 1.00 0.00 WAT +ATOM 57589 H2 TIP3 17093 -15.500 -0.985 38.171 1.00 0.00 WAT +ATOM 57590 OH2 TIP3 17094 -14.659 -3.774 38.167 1.00 0.00 WAT +ATOM 57591 H1 TIP3 17094 -14.749 -3.169 38.924 1.00 0.00 WAT +ATOM 57592 H2 TIP3 17094 -13.872 -3.399 37.726 1.00 0.00 WAT +ATOM 57593 OH2 TIP3 17095 -17.599 10.566 35.270 1.00 0.00 WAT +ATOM 57594 H1 TIP3 17095 -17.660 11.391 34.743 1.00 0.00 WAT +ATOM 57595 H2 TIP3 17095 -17.747 10.895 36.177 1.00 0.00 WAT +ATOM 57596 OH2 TIP3 17096 -18.871 -2.764 34.733 1.00 0.00 WAT +ATOM 57597 H1 TIP3 17096 -18.858 -2.020 35.361 1.00 0.00 WAT +ATOM 57598 H2 TIP3 17096 -18.070 -3.253 35.010 1.00 0.00 WAT +ATOM 57599 OH2 TIP3 17097 -10.107 2.018 41.353 1.00 0.00 WAT +ATOM 57600 H1 TIP3 17097 -10.896 1.520 41.077 1.00 0.00 WAT +ATOM 57601 H2 TIP3 17097 -9.540 1.298 41.720 1.00 0.00 WAT +ATOM 57602 OH2 TIP3 17098 -20.475 8.131 33.767 1.00 0.00 WAT +ATOM 57603 H1 TIP3 17098 -19.755 8.621 34.199 1.00 0.00 WAT +ATOM 57604 H2 TIP3 17098 -19.954 7.592 33.152 1.00 0.00 WAT +ATOM 57605 OH2 TIP3 17099 -22.302 0.314 32.904 1.00 0.00 WAT +ATOM 57606 H1 TIP3 17099 -22.221 1.251 33.165 1.00 0.00 WAT +ATOM 57607 H2 TIP3 17099 -23.195 0.281 32.541 1.00 0.00 WAT +ATOM 57608 OH2 TIP3 17100 -8.806 11.786 43.175 1.00 0.00 WAT +ATOM 57609 H1 TIP3 17100 -9.082 12.240 42.363 1.00 0.00 WAT +ATOM 57610 H2 TIP3 17100 -7.935 11.445 42.904 1.00 0.00 WAT +ATOM 57611 OH2 TIP3 17101 -21.436 -4.706 41.716 1.00 0.00 WAT +ATOM 57612 H1 TIP3 17101 -21.594 -4.672 40.750 1.00 0.00 WAT +ATOM 57613 H2 TIP3 17101 -21.791 -5.571 41.959 1.00 0.00 WAT +ATOM 57614 OH2 TIP3 17102 -22.536 8.794 37.974 1.00 0.00 WAT +ATOM 57615 H1 TIP3 17102 -23.288 9.328 38.264 1.00 0.00 WAT +ATOM 57616 H2 TIP3 17102 -22.146 9.356 37.287 1.00 0.00 WAT +ATOM 57617 OH2 TIP3 17103 -14.377 10.070 32.387 1.00 0.00 WAT +ATOM 57618 H1 TIP3 17103 -15.127 9.440 32.360 1.00 0.00 WAT +ATOM 57619 H2 TIP3 17103 -13.661 9.493 32.080 1.00 0.00 WAT +ATOM 57620 OH2 TIP3 17104 -9.755 9.939 32.513 1.00 0.00 WAT +ATOM 57621 H1 TIP3 17104 -9.586 9.170 33.084 1.00 0.00 WAT +ATOM 57622 H2 TIP3 17104 -8.926 9.994 32.009 1.00 0.00 WAT +ATOM 57623 OH2 TIP3 17105 -18.933 5.781 32.268 1.00 0.00 WAT +ATOM 57624 H1 TIP3 17105 -18.804 5.196 33.034 1.00 0.00 WAT +ATOM 57625 H2 TIP3 17105 -18.062 5.711 31.835 1.00 0.00 WAT +ATOM 57626 OH2 TIP3 17106 -13.718 7.118 31.884 1.00 0.00 WAT +ATOM 57627 H1 TIP3 17106 -13.735 7.062 32.858 1.00 0.00 WAT +ATOM 57628 H2 TIP3 17106 -13.783 6.165 31.662 1.00 0.00 WAT +ATOM 57629 OH2 TIP3 17107 -17.855 3.869 34.613 1.00 0.00 WAT +ATOM 57630 H1 TIP3 17107 -18.478 3.368 35.161 1.00 0.00 WAT +ATOM 57631 H2 TIP3 17107 -17.560 3.178 33.984 1.00 0.00 WAT +ATOM 57632 OH2 TIP3 17108 -16.897 1.892 32.882 1.00 0.00 WAT +ATOM 57633 H1 TIP3 17108 -16.950 1.923 31.913 1.00 0.00 WAT +ATOM 57634 H2 TIP3 17108 -15.933 1.840 33.028 1.00 0.00 WAT +ATOM 57635 OH2 TIP3 17109 -7.412 4.390 32.206 1.00 0.00 WAT +ATOM 57636 H1 TIP3 17109 -7.457 3.965 31.338 1.00 0.00 WAT +ATOM 57637 H2 TIP3 17109 -7.468 5.336 31.959 1.00 0.00 WAT +ATOM 57638 OH2 TIP3 17110 -17.127 13.092 33.955 1.00 0.00 WAT +ATOM 57639 H1 TIP3 17110 -16.179 13.234 34.089 1.00 0.00 WAT +ATOM 57640 H2 TIP3 17110 -17.272 13.586 33.137 1.00 0.00 WAT +ATOM 57641 OH2 TIP3 17111 -23.234 7.516 33.496 1.00 0.00 WAT +ATOM 57642 H1 TIP3 17111 -22.282 7.702 33.643 1.00 0.00 WAT +ATOM 57643 H2 TIP3 17111 -23.202 6.726 32.921 1.00 0.00 WAT +ATOM 57644 OH2 TIP3 17112 -24.185 12.665 38.218 1.00 0.00 WAT +ATOM 57645 H1 TIP3 17112 -24.940 12.333 37.696 1.00 0.00 WAT +ATOM 57646 H2 TIP3 17112 -24.136 12.003 38.936 1.00 0.00 WAT +ATOM 57647 OH2 TIP3 17113 -23.824 10.696 40.205 1.00 0.00 WAT +ATOM 57648 H1 TIP3 17113 -24.142 9.821 40.485 1.00 0.00 WAT +ATOM 57649 H2 TIP3 17113 -23.488 11.007 41.065 1.00 0.00 WAT +ATOM 57650 OH2 TIP3 17114 -6.189 11.616 42.833 1.00 0.00 WAT +ATOM 57651 H1 TIP3 17114 -6.611 12.150 43.522 1.00 0.00 WAT +ATOM 57652 H2 TIP3 17114 -5.495 12.234 42.558 1.00 0.00 WAT +ATOM 57653 OH2 TIP3 17115 -7.005 5.769 36.131 1.00 0.00 WAT +ATOM 57654 H1 TIP3 17115 -6.098 6.100 36.286 1.00 0.00 WAT +ATOM 57655 H2 TIP3 17115 -7.086 5.137 36.863 1.00 0.00 WAT +ATOM 57656 OH2 TIP3 17116 -6.442 3.650 38.165 1.00 0.00 WAT +ATOM 57657 H1 TIP3 17116 -7.198 3.161 38.545 1.00 0.00 WAT +ATOM 57658 H2 TIP3 17116 -5.903 3.860 38.944 1.00 0.00 WAT +ATOM 57659 OH2 TIP3 17117 -6.883 6.019 43.286 1.00 0.00 WAT +ATOM 57660 H1 TIP3 17117 -6.210 5.565 42.768 1.00 0.00 WAT +ATOM 57661 H2 TIP3 17117 -6.903 6.910 42.912 1.00 0.00 WAT +ATOM 57662 OH2 TIP3 17118 -6.305 3.161 34.697 1.00 0.00 WAT +ATOM 57663 H1 TIP3 17118 -6.802 3.454 33.910 1.00 0.00 WAT +ATOM 57664 H2 TIP3 17118 -6.403 3.932 35.276 1.00 0.00 WAT +ATOM 57665 OH2 TIP3 17119 -8.047 0.751 32.943 1.00 0.00 WAT +ATOM 57666 H1 TIP3 17119 -7.742 1.318 32.222 1.00 0.00 WAT +ATOM 57667 H2 TIP3 17119 -8.266 -0.084 32.483 1.00 0.00 WAT +ATOM 57668 OH2 TIP3 17120 -8.630 1.876 38.925 1.00 0.00 WAT +ATOM 57669 H1 TIP3 17120 -8.673 0.916 38.785 1.00 0.00 WAT +ATOM 57670 H2 TIP3 17120 -8.990 1.966 39.829 1.00 0.00 WAT +ATOM 57671 OH2 TIP3 17121 -23.761 3.673 42.597 1.00 0.00 WAT +ATOM 57672 H1 TIP3 17121 -23.390 4.012 41.766 1.00 0.00 WAT +ATOM 57673 H2 TIP3 17121 -22.988 3.695 43.188 1.00 0.00 WAT +ATOM 57674 OH2 TIP3 17122 -8.552 -1.909 32.160 1.00 0.00 WAT +ATOM 57675 H1 TIP3 17122 -7.972 -2.426 32.746 1.00 0.00 WAT +ATOM 57676 H2 TIP3 17122 -9.349 -2.455 32.081 1.00 0.00 WAT +ATOM 57677 OH2 TIP3 17123 -8.737 -0.639 37.091 1.00 0.00 WAT +ATOM 57678 H1 TIP3 17123 -8.496 -1.585 37.159 1.00 0.00 WAT +ATOM 57679 H2 TIP3 17123 -7.926 -0.278 36.691 1.00 0.00 WAT +ATOM 57680 OH2 TIP3 17124 -8.498 0.100 42.236 1.00 0.00 WAT +ATOM 57681 H1 TIP3 17124 -7.547 0.000 42.405 1.00 0.00 WAT +ATOM 57682 H2 TIP3 17124 -8.895 -0.262 43.050 1.00 0.00 WAT +ATOM 57683 OH2 TIP3 17125 -8.255 -3.466 37.073 1.00 0.00 WAT +ATOM 57684 H1 TIP3 17125 -8.230 -3.736 38.009 1.00 0.00 WAT +ATOM 57685 H2 TIP3 17125 -9.067 -3.918 36.765 1.00 0.00 WAT +ATOM 57686 OH2 TIP3 17126 -23.003 -2.114 41.908 1.00 0.00 WAT +ATOM 57687 H1 TIP3 17126 -22.741 -3.041 42.033 1.00 0.00 WAT +ATOM 57688 H2 TIP3 17126 -22.457 -1.689 42.578 1.00 0.00 WAT +ATOM 57689 OH2 TIP3 17127 -24.609 0.731 43.027 1.00 0.00 WAT +ATOM 57690 H1 TIP3 17127 -24.193 0.371 42.230 1.00 0.00 WAT +ATOM 57691 H2 TIP3 17127 -24.347 1.672 42.972 1.00 0.00 WAT +ATOM 57692 OH2 TIP3 17128 -6.306 -2.976 33.745 1.00 0.00 WAT +ATOM 57693 H1 TIP3 17128 -5.977 -3.773 33.299 1.00 0.00 WAT +ATOM 57694 H2 TIP3 17128 -5.494 -2.449 33.840 1.00 0.00 WAT +ATOM 57695 OH2 TIP3 17129 -24.053 -3.253 36.920 1.00 0.00 WAT +ATOM 57696 H1 TIP3 17129 -25.005 -3.184 36.731 1.00 0.00 WAT +ATOM 57697 H2 TIP3 17129 -23.655 -2.629 36.283 1.00 0.00 WAT +ATOM 57698 OH2 TIP3 17130 -9.460 11.941 38.702 1.00 0.00 WAT +ATOM 57699 H1 TIP3 17130 -8.695 11.569 38.238 1.00 0.00 WAT +ATOM 57700 H2 TIP3 17130 -9.048 12.455 39.427 1.00 0.00 WAT +ATOM 57701 OH2 TIP3 17131 -22.451 11.136 42.602 1.00 0.00 WAT +ATOM 57702 H1 TIP3 17131 -22.108 11.120 43.520 1.00 0.00 WAT +ATOM 57703 H2 TIP3 17131 -21.621 10.907 42.133 1.00 0.00 WAT +ATOM 57704 OH2 TIP3 17132 -20.200 10.198 41.168 1.00 0.00 WAT +ATOM 57705 H1 TIP3 17132 -20.312 9.260 41.426 1.00 0.00 WAT +ATOM 57706 H2 TIP3 17132 -19.284 10.369 41.469 1.00 0.00 WAT +ATOM 57707 OH2 TIP3 17133 -17.506 10.677 42.129 1.00 0.00 WAT +ATOM 57708 H1 TIP3 17133 -17.204 9.804 41.840 1.00 0.00 WAT +ATOM 57709 H2 TIP3 17133 -17.386 10.604 43.083 1.00 0.00 WAT +ATOM 57710 OH2 TIP3 17134 -14.153 -3.317 41.247 1.00 0.00 WAT +ATOM 57711 H1 TIP3 17134 -14.740 -4.045 41.534 1.00 0.00 WAT +ATOM 57712 H2 TIP3 17134 -13.459 -3.813 40.762 1.00 0.00 WAT +ATOM 57713 OH2 TIP3 17135 -9.194 -4.574 41.280 1.00 0.00 WAT +ATOM 57714 H1 TIP3 17135 -8.410 -5.095 41.504 1.00 0.00 WAT +ATOM 57715 H2 TIP3 17135 -9.903 -5.210 41.403 1.00 0.00 WAT +ATOM 57716 OH2 TIP3 17136 -6.916 -4.334 39.527 1.00 0.00 WAT +ATOM 57717 H1 TIP3 17136 -6.178 -4.493 38.936 1.00 0.00 WAT +ATOM 57718 H2 TIP3 17136 -6.794 -3.404 39.784 1.00 0.00 WAT +ATOM 57719 OH2 TIP3 17137 -21.763 -4.696 38.876 1.00 0.00 WAT +ATOM 57720 H1 TIP3 17137 -22.619 -4.845 38.428 1.00 0.00 WAT +ATOM 57721 H2 TIP3 17137 -21.329 -5.558 38.737 1.00 0.00 WAT +ATOM 57722 OH2 TIP3 17138 -22.954 -5.207 34.767 1.00 0.00 WAT +ATOM 57723 H1 TIP3 17138 -22.445 -4.547 34.263 1.00 0.00 WAT +ATOM 57724 H2 TIP3 17138 -23.353 -4.668 35.469 1.00 0.00 WAT +ATOM 57725 OH2 TIP3 17139 -17.259 -4.928 38.904 1.00 0.00 WAT +ATOM 57726 H1 TIP3 17139 -16.365 -4.592 38.725 1.00 0.00 WAT +ATOM 57727 H2 TIP3 17139 -17.231 -5.034 39.865 1.00 0.00 WAT +ATOM 57728 OH2 TIP3 17140 -11.999 -4.780 39.973 1.00 0.00 WAT +ATOM 57729 H1 TIP3 17140 -11.445 -5.029 39.225 1.00 0.00 WAT +ATOM 57730 H2 TIP3 17140 -12.141 -5.632 40.416 1.00 0.00 WAT +ATOM 57731 OH2 TIP3 17141 -10.576 -4.843 36.143 1.00 0.00 WAT +ATOM 57732 H1 TIP3 17141 -11.382 -4.297 36.049 1.00 0.00 WAT +ATOM 57733 H2 TIP3 17141 -10.969 -5.723 36.275 1.00 0.00 WAT +ATOM 57734 OH2 TIP3 17142 -22.749 10.746 35.911 1.00 0.00 WAT +ATOM 57735 H1 TIP3 17142 -23.413 10.643 35.213 1.00 0.00 WAT +ATOM 57736 H2 TIP3 17142 -22.784 11.704 36.043 1.00 0.00 WAT +ATOM 57737 OH2 TIP3 17143 -21.229 -3.376 33.199 1.00 0.00 WAT +ATOM 57738 H1 TIP3 17143 -20.632 -3.957 32.697 1.00 0.00 WAT +ATOM 57739 H2 TIP3 17143 -20.632 -3.060 33.905 1.00 0.00 WAT +ATOM 57740 OH2 TIP3 17144 -16.139 -3.205 35.826 1.00 0.00 WAT +ATOM 57741 H1 TIP3 17144 -15.770 -3.763 36.531 1.00 0.00 WAT +ATOM 57742 H2 TIP3 17144 -15.958 -2.330 36.204 1.00 0.00 WAT +ATOM 57743 OH2 TIP3 17145 -14.095 12.591 34.040 1.00 0.00 WAT +ATOM 57744 H1 TIP3 17145 -13.119 12.589 34.018 1.00 0.00 WAT +ATOM 57745 H2 TIP3 17145 -14.289 11.919 33.367 1.00 0.00 WAT +ATOM 57746 OH2 TIP3 17146 -7.298 11.580 36.540 1.00 0.00 WAT +ATOM 57747 H1 TIP3 17146 -7.669 10.773 36.134 1.00 0.00 WAT +ATOM 57748 H2 TIP3 17146 -7.664 12.278 35.980 1.00 0.00 WAT +ATOM 57749 OH2 TIP3 17147 -21.336 11.675 32.714 1.00 0.00 WAT +ATOM 57750 H1 TIP3 17147 -21.601 11.983 33.594 1.00 0.00 WAT +ATOM 57751 H2 TIP3 17147 -20.548 11.141 32.907 1.00 0.00 WAT +ATOM 57752 OH2 TIP3 17148 6.355 4.304 38.595 1.00 0.00 WAT +ATOM 57753 H1 TIP3 17148 6.283 5.251 38.815 1.00 0.00 WAT +ATOM 57754 H2 TIP3 17148 5.451 4.068 38.358 1.00 0.00 WAT +ATOM 57755 OH2 TIP3 17149 5.533 3.206 43.031 1.00 0.00 WAT +ATOM 57756 H1 TIP3 17149 5.199 2.635 43.749 1.00 0.00 WAT +ATOM 57757 H2 TIP3 17149 5.653 2.557 42.327 1.00 0.00 WAT +ATOM 57758 OH2 TIP3 17150 8.655 6.181 40.348 1.00 0.00 WAT +ATOM 57759 H1 TIP3 17150 8.227 5.520 40.924 1.00 0.00 WAT +ATOM 57760 H2 TIP3 17150 9.088 6.715 41.042 1.00 0.00 WAT +ATOM 57761 OH2 TIP3 17151 -1.830 7.463 42.524 1.00 0.00 WAT +ATOM 57762 H1 TIP3 17151 -2.158 6.696 42.041 1.00 0.00 WAT +ATOM 57763 H2 TIP3 17151 -0.867 7.363 42.388 1.00 0.00 WAT +ATOM 57764 OH2 TIP3 17152 -4.930 1.211 37.845 1.00 0.00 WAT +ATOM 57765 H1 TIP3 17152 -5.410 2.057 37.808 1.00 0.00 WAT +ATOM 57766 H2 TIP3 17152 -5.573 0.609 37.452 1.00 0.00 WAT +ATOM 57767 OH2 TIP3 17153 -3.856 3.634 39.986 1.00 0.00 WAT +ATOM 57768 H1 TIP3 17153 -3.864 2.698 40.256 1.00 0.00 WAT +ATOM 57769 H2 TIP3 17153 -3.306 3.596 39.191 1.00 0.00 WAT +ATOM 57770 OH2 TIP3 17154 5.624 11.603 41.135 1.00 0.00 WAT +ATOM 57771 H1 TIP3 17154 6.242 10.924 40.806 1.00 0.00 WAT +ATOM 57772 H2 TIP3 17154 5.369 11.252 42.000 1.00 0.00 WAT +ATOM 57773 OH2 TIP3 17155 3.026 5.453 42.692 1.00 0.00 WAT +ATOM 57774 H1 TIP3 17155 3.666 5.201 42.016 1.00 0.00 WAT +ATOM 57775 H2 TIP3 17155 3.661 5.887 43.308 1.00 0.00 WAT +ATOM 57776 OH2 TIP3 17156 6.396 0.264 43.260 1.00 0.00 WAT +ATOM 57777 H1 TIP3 17156 6.917 -0.543 43.410 1.00 0.00 WAT +ATOM 57778 H2 TIP3 17156 6.582 0.442 42.322 1.00 0.00 WAT +ATOM 57779 OH2 TIP3 17157 -0.400 -1.678 40.438 1.00 0.00 WAT +ATOM 57780 H1 TIP3 17157 -0.151 -0.846 39.992 1.00 0.00 WAT +ATOM 57781 H2 TIP3 17157 -0.675 -2.207 39.663 1.00 0.00 WAT +ATOM 57782 OH2 TIP3 17158 7.537 -1.449 38.672 1.00 0.00 WAT +ATOM 57783 H1 TIP3 17158 8.073 -1.852 39.399 1.00 0.00 WAT +ATOM 57784 H2 TIP3 17158 8.246 -1.049 38.149 1.00 0.00 WAT +ATOM 57785 OH2 TIP3 17159 -3.331 0.971 40.989 1.00 0.00 WAT +ATOM 57786 H1 TIP3 17159 -2.994 0.257 41.535 1.00 0.00 WAT +ATOM 57787 H2 TIP3 17159 -3.337 0.535 40.115 1.00 0.00 WAT +ATOM 57788 OH2 TIP3 17160 5.922 7.108 37.981 1.00 0.00 WAT +ATOM 57789 H1 TIP3 17160 5.799 6.828 37.071 1.00 0.00 WAT +ATOM 57790 H2 TIP3 17160 5.456 7.967 38.019 1.00 0.00 WAT +ATOM 57791 OH2 TIP3 17161 9.261 -2.050 40.683 1.00 0.00 WAT +ATOM 57792 H1 TIP3 17161 9.263 -2.963 41.061 1.00 0.00 WAT +ATOM 57793 H2 TIP3 17161 9.817 -1.607 41.342 1.00 0.00 WAT +ATOM 57794 OH2 TIP3 17162 -1.126 -0.815 42.979 1.00 0.00 WAT +ATOM 57795 H1 TIP3 17162 -1.381 0.093 42.798 1.00 0.00 WAT +ATOM 57796 H2 TIP3 17162 -1.131 -1.239 42.095 1.00 0.00 WAT +ATOM 57797 OH2 TIP3 17163 -4.268 6.588 36.269 1.00 0.00 WAT +ATOM 57798 H1 TIP3 17163 -4.422 7.078 35.442 1.00 0.00 WAT +ATOM 57799 H2 TIP3 17163 -4.078 7.301 36.916 1.00 0.00 WAT +ATOM 57800 OH2 TIP3 17164 9.449 7.458 42.638 1.00 0.00 WAT +ATOM 57801 H1 TIP3 17164 8.929 7.211 43.426 1.00 0.00 WAT +ATOM 57802 H2 TIP3 17164 10.200 7.909 43.047 1.00 0.00 WAT +ATOM 57803 OH2 TIP3 17165 2.598 -5.300 41.758 1.00 0.00 WAT +ATOM 57804 H1 TIP3 17165 2.604 -6.269 41.825 1.00 0.00 WAT +ATOM 57805 H2 TIP3 17165 1.774 -5.072 42.229 1.00 0.00 WAT +ATOM 57806 OH2 TIP3 17166 7.510 10.009 39.611 1.00 0.00 WAT +ATOM 57807 H1 TIP3 17166 7.968 9.198 39.307 1.00 0.00 WAT +ATOM 57808 H2 TIP3 17166 8.198 10.684 39.452 1.00 0.00 WAT +ATOM 57809 OH2 TIP3 17167 8.951 7.870 38.221 1.00 0.00 WAT +ATOM 57810 H1 TIP3 17167 8.482 7.393 37.524 1.00 0.00 WAT +ATOM 57811 H2 TIP3 17167 8.921 7.207 38.944 1.00 0.00 WAT +ATOM 57812 OH2 TIP3 17168 4.596 3.530 36.323 1.00 0.00 WAT +ATOM 57813 H1 TIP3 17168 4.037 4.128 35.804 1.00 0.00 WAT +ATOM 57814 H2 TIP3 17168 5.436 3.577 35.832 1.00 0.00 WAT +ATOM 57815 OH2 TIP3 17169 5.031 1.743 33.472 1.00 0.00 WAT +ATOM 57816 H1 TIP3 17169 5.725 2.067 34.075 1.00 0.00 WAT +ATOM 57817 H2 TIP3 17169 5.558 1.186 32.879 1.00 0.00 WAT +ATOM 57818 OH2 TIP3 17170 8.587 3.476 37.327 1.00 0.00 WAT +ATOM 57819 H1 TIP3 17170 7.862 3.821 37.901 1.00 0.00 WAT +ATOM 57820 H2 TIP3 17170 9.058 2.890 37.952 1.00 0.00 WAT +ATOM 57821 OH2 TIP3 17171 0.801 7.219 41.631 1.00 0.00 WAT +ATOM 57822 H1 TIP3 17171 1.113 7.229 40.707 1.00 0.00 WAT +ATOM 57823 H2 TIP3 17171 1.569 7.591 42.106 1.00 0.00 WAT +ATOM 57824 OH2 TIP3 17172 7.198 3.057 34.965 1.00 0.00 WAT +ATOM 57825 H1 TIP3 17172 7.770 3.257 35.737 1.00 0.00 WAT +ATOM 57826 H2 TIP3 17172 7.698 3.532 34.255 1.00 0.00 WAT +ATOM 57827 OH2 TIP3 17173 4.575 9.607 38.555 1.00 0.00 WAT +ATOM 57828 H1 TIP3 17173 5.183 9.909 39.243 1.00 0.00 WAT +ATOM 57829 H2 TIP3 17173 4.196 10.434 38.218 1.00 0.00 WAT +ATOM 57830 OH2 TIP3 17174 10.662 -5.244 34.433 1.00 0.00 WAT +ATOM 57831 H1 TIP3 17174 9.794 -5.146 34.864 1.00 0.00 WAT +ATOM 57832 H2 TIP3 17174 11.017 -4.343 34.490 1.00 0.00 WAT +ATOM 57833 OH2 TIP3 17175 -1.212 3.281 37.141 1.00 0.00 WAT +ATOM 57834 H1 TIP3 17175 -1.318 3.983 36.480 1.00 0.00 WAT +ATOM 57835 H2 TIP3 17175 -1.661 2.536 36.727 1.00 0.00 WAT +ATOM 57836 OH2 TIP3 17176 12.041 8.888 32.978 1.00 0.00 WAT +ATOM 57837 H1 TIP3 17176 12.203 9.822 33.218 1.00 0.00 WAT +ATOM 57838 H2 TIP3 17176 12.910 8.482 33.169 1.00 0.00 WAT +ATOM 57839 OH2 TIP3 17177 -5.014 8.574 42.393 1.00 0.00 WAT +ATOM 57840 H1 TIP3 17177 -4.062 8.579 42.537 1.00 0.00 WAT +ATOM 57841 H2 TIP3 17177 -5.317 9.401 42.799 1.00 0.00 WAT +ATOM 57842 OH2 TIP3 17178 4.238 12.309 36.990 1.00 0.00 WAT +ATOM 57843 H1 TIP3 17178 4.241 12.415 36.019 1.00 0.00 WAT +ATOM 57844 H2 TIP3 17178 4.252 13.227 37.301 1.00 0.00 WAT +ATOM 57845 OH2 TIP3 17179 -1.982 11.385 38.584 1.00 0.00 WAT +ATOM 57846 H1 TIP3 17179 -1.815 11.034 39.478 1.00 0.00 WAT +ATOM 57847 H2 TIP3 17179 -2.861 11.031 38.399 1.00 0.00 WAT +ATOM 57848 OH2 TIP3 17180 7.554 11.771 34.189 1.00 0.00 WAT +ATOM 57849 H1 TIP3 17180 8.106 11.110 33.727 1.00 0.00 WAT +ATOM 57850 H2 TIP3 17180 7.478 11.372 35.079 1.00 0.00 WAT +ATOM 57851 OH2 TIP3 17181 6.916 11.169 36.966 1.00 0.00 WAT +ATOM 57852 H1 TIP3 17181 5.969 11.339 37.116 1.00 0.00 WAT +ATOM 57853 H2 TIP3 17181 7.085 10.464 37.614 1.00 0.00 WAT +ATOM 57854 OH2 TIP3 17182 0.175 -4.385 42.919 1.00 0.00 WAT +ATOM 57855 H1 TIP3 17182 -0.652 -4.515 42.422 1.00 0.00 WAT +ATOM 57856 H2 TIP3 17182 0.185 -3.429 43.076 1.00 0.00 WAT +ATOM 57857 OH2 TIP3 17183 8.769 4.088 32.955 1.00 0.00 WAT +ATOM 57858 H1 TIP3 17183 8.572 3.916 32.014 1.00 0.00 WAT +ATOM 57859 H2 TIP3 17183 9.710 4.334 32.900 1.00 0.00 WAT +ATOM 57860 OH2 TIP3 17184 4.389 -2.123 33.445 1.00 0.00 WAT +ATOM 57861 H1 TIP3 17184 3.930 -2.293 34.279 1.00 0.00 WAT +ATOM 57862 H2 TIP3 17184 4.007 -2.816 32.880 1.00 0.00 WAT +ATOM 57863 OH2 TIP3 17185 0.155 0.771 39.051 1.00 0.00 WAT +ATOM 57864 H1 TIP3 17185 -0.772 0.768 38.769 1.00 0.00 WAT +ATOM 57865 H2 TIP3 17185 0.603 0.622 38.198 1.00 0.00 WAT +ATOM 57866 OH2 TIP3 17186 5.649 1.255 37.659 1.00 0.00 WAT +ATOM 57867 H1 TIP3 17186 5.207 2.010 37.220 1.00 0.00 WAT +ATOM 57868 H2 TIP3 17186 6.346 1.041 37.014 1.00 0.00 WAT +ATOM 57869 OH2 TIP3 17187 6.423 0.668 40.405 1.00 0.00 WAT +ATOM 57870 H1 TIP3 17187 6.158 1.116 39.575 1.00 0.00 WAT +ATOM 57871 H2 TIP3 17187 6.649 -0.207 40.033 1.00 0.00 WAT +ATOM 57872 OH2 TIP3 17188 0.827 -1.611 32.382 1.00 0.00 WAT +ATOM 57873 H1 TIP3 17188 0.473 -2.043 33.183 1.00 0.00 WAT +ATOM 57874 H2 TIP3 17188 0.058 -1.570 31.803 1.00 0.00 WAT +ATOM 57875 OH2 TIP3 17189 -5.606 -1.687 39.410 1.00 0.00 WAT +ATOM 57876 H1 TIP3 17189 -5.095 -1.849 40.223 1.00 0.00 WAT +ATOM 57877 H2 TIP3 17189 -5.153 -2.215 38.738 1.00 0.00 WAT +ATOM 57878 OH2 TIP3 17190 -4.131 -1.394 35.136 1.00 0.00 WAT +ATOM 57879 H1 TIP3 17190 -3.573 -0.911 34.491 1.00 0.00 WAT +ATOM 57880 H2 TIP3 17190 -4.821 -0.731 35.311 1.00 0.00 WAT +ATOM 57881 OH2 TIP3 17191 2.752 -1.692 39.867 1.00 0.00 WAT +ATOM 57882 H1 TIP3 17191 1.829 -1.859 40.111 1.00 0.00 WAT +ATOM 57883 H2 TIP3 17191 3.236 -2.072 40.622 1.00 0.00 WAT +ATOM 57884 OH2 TIP3 17192 -2.574 -0.462 38.538 1.00 0.00 WAT +ATOM 57885 H1 TIP3 17192 -3.399 -0.240 38.076 1.00 0.00 WAT +ATOM 57886 H2 TIP3 17192 -2.244 -1.240 38.050 1.00 0.00 WAT +ATOM 57887 OH2 TIP3 17193 0.982 -0.117 36.298 1.00 0.00 WAT +ATOM 57888 H1 TIP3 17193 1.956 -0.158 36.313 1.00 0.00 WAT +ATOM 57889 H2 TIP3 17193 0.779 0.372 35.483 1.00 0.00 WAT +ATOM 57890 OH2 TIP3 17194 7.145 -3.026 42.820 1.00 0.00 WAT +ATOM 57891 H1 TIP3 17194 6.731 -2.809 43.665 1.00 0.00 WAT +ATOM 57892 H2 TIP3 17194 6.414 -3.025 42.189 1.00 0.00 WAT +ATOM 57893 OH2 TIP3 17195 -0.529 1.054 34.012 1.00 0.00 WAT +ATOM 57894 H1 TIP3 17195 -1.119 0.738 33.312 1.00 0.00 WAT +ATOM 57895 H2 TIP3 17195 0.277 1.249 33.501 1.00 0.00 WAT +ATOM 57896 OH2 TIP3 17196 3.516 0.851 41.922 1.00 0.00 WAT +ATOM 57897 H1 TIP3 17196 4.060 0.601 41.160 1.00 0.00 WAT +ATOM 57898 H2 TIP3 17196 3.682 0.105 42.515 1.00 0.00 WAT +ATOM 57899 OH2 TIP3 17197 -0.899 -2.816 37.886 1.00 0.00 WAT +ATOM 57900 H1 TIP3 17197 -1.404 -3.635 38.004 1.00 0.00 WAT +ATOM 57901 H2 TIP3 17197 -0.090 -3.131 37.457 1.00 0.00 WAT +ATOM 57902 OH2 TIP3 17198 2.808 5.712 35.841 1.00 0.00 WAT +ATOM 57903 H1 TIP3 17198 2.130 5.129 35.432 1.00 0.00 WAT +ATOM 57904 H2 TIP3 17198 2.783 5.447 36.771 1.00 0.00 WAT +ATOM 57905 OH2 TIP3 17199 7.087 -1.573 33.624 1.00 0.00 WAT +ATOM 57906 H1 TIP3 17199 6.106 -1.560 33.559 1.00 0.00 WAT +ATOM 57907 H2 TIP3 17199 7.285 -0.818 34.212 1.00 0.00 WAT +ATOM 57908 OH2 TIP3 17200 7.762 0.291 35.664 1.00 0.00 WAT +ATOM 57909 H1 TIP3 17200 8.641 0.107 36.051 1.00 0.00 WAT +ATOM 57910 H2 TIP3 17200 7.902 1.154 35.237 1.00 0.00 WAT +ATOM 57911 OH2 TIP3 17201 5.351 6.984 34.754 1.00 0.00 WAT +ATOM 57912 H1 TIP3 17201 5.086 7.861 35.096 1.00 0.00 WAT +ATOM 57913 H2 TIP3 17201 4.582 6.448 35.003 1.00 0.00 WAT +ATOM 57914 OH2 TIP3 17202 12.355 0.255 35.392 1.00 0.00 WAT +ATOM 57915 H1 TIP3 17202 11.804 0.071 34.606 1.00 0.00 WAT +ATOM 57916 H2 TIP3 17202 12.486 1.215 35.259 1.00 0.00 WAT +ATOM 57917 OH2 TIP3 17203 10.545 8.870 35.472 1.00 0.00 WAT +ATOM 57918 H1 TIP3 17203 10.358 8.098 36.026 1.00 0.00 WAT +ATOM 57919 H2 TIP3 17203 11.119 8.509 34.781 1.00 0.00 WAT +ATOM 57920 OH2 TIP3 17204 7.793 4.515 42.363 1.00 0.00 WAT +ATOM 57921 H1 TIP3 17204 6.991 4.131 42.777 1.00 0.00 WAT +ATOM 57922 H2 TIP3 17204 8.196 3.721 41.962 1.00 0.00 WAT +ATOM 57923 OH2 TIP3 17205 0.434 8.296 38.862 1.00 0.00 WAT +ATOM 57924 H1 TIP3 17205 0.902 9.137 38.707 1.00 0.00 WAT +ATOM 57925 H2 TIP3 17205 -0.464 8.542 38.610 1.00 0.00 WAT +ATOM 57926 OH2 TIP3 17206 -3.560 3.098 33.497 1.00 0.00 WAT +ATOM 57927 H1 TIP3 17206 -2.961 3.743 33.916 1.00 0.00 WAT +ATOM 57928 H2 TIP3 17206 -4.424 3.391 33.839 1.00 0.00 WAT +ATOM 57929 OH2 TIP3 17207 1.934 5.749 39.053 1.00 0.00 WAT +ATOM 57930 H1 TIP3 17207 1.969 6.658 38.715 1.00 0.00 WAT +ATOM 57931 H2 TIP3 17207 1.101 5.437 38.691 1.00 0.00 WAT +ATOM 57932 OH2 TIP3 17208 0.893 11.182 38.155 1.00 0.00 WAT +ATOM 57933 H1 TIP3 17208 -0.061 11.362 38.169 1.00 0.00 WAT +ATOM 57934 H2 TIP3 17208 1.254 12.063 38.388 1.00 0.00 WAT +ATOM 57935 OH2 TIP3 17209 8.021 7.298 33.365 1.00 0.00 WAT +ATOM 57936 H1 TIP3 17209 8.455 6.850 34.113 1.00 0.00 WAT +ATOM 57937 H2 TIP3 17209 7.095 7.154 33.620 1.00 0.00 WAT +ATOM 57938 OH2 TIP3 17210 12.762 11.559 33.903 1.00 0.00 WAT +ATOM 57939 H1 TIP3 17210 13.459 12.201 33.687 1.00 0.00 WAT +ATOM 57940 H2 TIP3 17210 11.991 12.156 33.892 1.00 0.00 WAT +ATOM 57941 OH2 TIP3 17211 8.993 5.934 35.781 1.00 0.00 WAT +ATOM 57942 H1 TIP3 17211 8.777 5.147 36.311 1.00 0.00 WAT +ATOM 57943 H2 TIP3 17211 9.966 5.907 35.809 1.00 0.00 WAT +ATOM 57944 OH2 TIP3 17212 2.248 8.358 31.925 1.00 0.00 WAT +ATOM 57945 H1 TIP3 17212 2.575 7.585 31.431 1.00 0.00 WAT +ATOM 57946 H2 TIP3 17212 1.847 7.938 32.701 1.00 0.00 WAT +ATOM 57947 OH2 TIP3 17213 1.068 7.877 34.713 1.00 0.00 WAT +ATOM 57948 H1 TIP3 17213 1.672 7.358 35.267 1.00 0.00 WAT +ATOM 57949 H2 TIP3 17213 1.280 8.798 34.970 1.00 0.00 WAT +ATOM 57950 OH2 TIP3 17214 -2.033 5.289 35.072 1.00 0.00 WAT +ATOM 57951 H1 TIP3 17214 -2.774 5.681 35.572 1.00 0.00 WAT +ATOM 57952 H2 TIP3 17214 -1.586 6.087 34.739 1.00 0.00 WAT +ATOM 57953 OH2 TIP3 17215 6.224 -2.761 36.320 1.00 0.00 WAT +ATOM 57954 H1 TIP3 17215 6.464 -2.255 35.527 1.00 0.00 WAT +ATOM 57955 H2 TIP3 17215 6.711 -2.289 37.018 1.00 0.00 WAT +ATOM 57956 OH2 TIP3 17216 4.047 9.479 35.296 1.00 0.00 WAT +ATOM 57957 H1 TIP3 17216 3.245 10.010 35.432 1.00 0.00 WAT +ATOM 57958 H2 TIP3 17216 4.436 9.928 34.527 1.00 0.00 WAT +ATOM 57959 OH2 TIP3 17217 3.621 -0.773 37.247 1.00 0.00 WAT +ATOM 57960 H1 TIP3 17217 4.419 -0.230 37.392 1.00 0.00 WAT +ATOM 57961 H2 TIP3 17217 3.356 -0.982 38.164 1.00 0.00 WAT +ATOM 57962 OH2 TIP3 17218 4.196 -3.773 38.159 1.00 0.00 WAT +ATOM 57963 H1 TIP3 17218 4.132 -3.177 38.925 1.00 0.00 WAT +ATOM 57964 H2 TIP3 17218 4.989 -3.410 37.715 1.00 0.00 WAT +ATOM 57965 OH2 TIP3 17219 1.307 10.626 35.248 1.00 0.00 WAT +ATOM 57966 H1 TIP3 17219 1.200 11.407 34.673 1.00 0.00 WAT +ATOM 57967 H2 TIP3 17219 1.161 10.997 36.136 1.00 0.00 WAT +ATOM 57968 OH2 TIP3 17220 -0.033 -2.773 34.766 1.00 0.00 WAT +ATOM 57969 H1 TIP3 17220 -0.001 -2.004 35.358 1.00 0.00 WAT +ATOM 57970 H2 TIP3 17220 0.793 -3.236 35.019 1.00 0.00 WAT +ATOM 57971 OH2 TIP3 17221 8.697 2.020 41.430 1.00 0.00 WAT +ATOM 57972 H1 TIP3 17221 7.979 1.489 41.042 1.00 0.00 WAT +ATOM 57973 H2 TIP3 17221 9.314 1.312 41.739 1.00 0.00 WAT +ATOM 57974 OH2 TIP3 17222 -1.644 8.069 33.817 1.00 0.00 WAT +ATOM 57975 H1 TIP3 17222 -0.921 8.596 34.201 1.00 0.00 WAT +ATOM 57976 H2 TIP3 17222 -1.137 7.604 33.132 1.00 0.00 WAT +ATOM 57977 OH2 TIP3 17223 -3.487 0.297 32.946 1.00 0.00 WAT +ATOM 57978 H1 TIP3 17223 -3.352 1.242 33.153 1.00 0.00 WAT +ATOM 57979 H2 TIP3 17223 -4.355 0.305 32.529 1.00 0.00 WAT +ATOM 57980 OH2 TIP3 17224 11.625 14.128 43.756 1.00 0.00 WAT +ATOM 57981 H1 TIP3 17224 11.381 14.831 43.138 1.00 0.00 WAT +ATOM 57982 H2 TIP3 17224 11.198 13.384 43.286 1.00 0.00 WAT +ATOM 57983 OH2 TIP3 17225 -2.604 -4.691 41.719 1.00 0.00 WAT +ATOM 57984 H1 TIP3 17225 -2.729 -4.693 40.748 1.00 0.00 WAT +ATOM 57985 H2 TIP3 17225 -2.928 -5.565 41.976 1.00 0.00 WAT +ATOM 57986 OH2 TIP3 17226 -3.679 8.776 37.963 1.00 0.00 WAT +ATOM 57987 H1 TIP3 17226 -4.420 9.327 38.253 1.00 0.00 WAT +ATOM 57988 H2 TIP3 17226 -3.274 9.340 37.286 1.00 0.00 WAT +ATOM 57989 OH2 TIP3 17227 4.488 10.022 32.518 1.00 0.00 WAT +ATOM 57990 H1 TIP3 17227 3.738 9.428 32.308 1.00 0.00 WAT +ATOM 57991 H2 TIP3 17227 5.180 9.621 31.969 1.00 0.00 WAT +ATOM 57992 OH2 TIP3 17228 9.120 9.964 32.560 1.00 0.00 WAT +ATOM 57993 H1 TIP3 17228 9.274 9.148 33.065 1.00 0.00 WAT +ATOM 57994 H2 TIP3 17228 9.904 9.995 31.984 1.00 0.00 WAT +ATOM 57995 OH2 TIP3 17229 -0.101 5.777 32.280 1.00 0.00 WAT +ATOM 57996 H1 TIP3 17229 0.081 5.170 33.014 1.00 0.00 WAT +ATOM 57997 H2 TIP3 17229 0.759 5.763 31.813 1.00 0.00 WAT +ATOM 57998 OH2 TIP3 17230 5.107 7.090 31.879 1.00 0.00 WAT +ATOM 57999 H1 TIP3 17230 5.125 7.076 32.850 1.00 0.00 WAT +ATOM 58000 H2 TIP3 17230 5.103 6.129 31.687 1.00 0.00 WAT +ATOM 58001 OH2 TIP3 17231 1.024 3.845 34.692 1.00 0.00 WAT +ATOM 58002 H1 TIP3 17231 0.425 3.282 35.200 1.00 0.00 WAT +ATOM 58003 H2 TIP3 17231 1.317 3.216 33.998 1.00 0.00 WAT +ATOM 58004 OH2 TIP3 17232 1.949 1.918 32.888 1.00 0.00 WAT +ATOM 58005 H1 TIP3 17232 1.911 1.947 31.915 1.00 0.00 WAT +ATOM 58006 H2 TIP3 17232 2.910 1.837 33.038 1.00 0.00 WAT +ATOM 58007 OH2 TIP3 17233 11.460 4.392 32.197 1.00 0.00 WAT +ATOM 58008 H1 TIP3 17233 11.369 3.969 31.331 1.00 0.00 WAT +ATOM 58009 H2 TIP3 17233 11.356 5.338 31.952 1.00 0.00 WAT +ATOM 58010 OH2 TIP3 17234 1.742 13.356 33.628 1.00 0.00 WAT +ATOM 58011 H1 TIP3 17234 2.677 13.313 33.864 1.00 0.00 WAT +ATOM 58012 H2 TIP3 17234 1.821 13.792 32.753 1.00 0.00 WAT +ATOM 58013 OH2 TIP3 17235 -4.378 7.501 33.513 1.00 0.00 WAT +ATOM 58014 H1 TIP3 17235 -3.425 7.713 33.635 1.00 0.00 WAT +ATOM 58015 H2 TIP3 17235 -4.334 6.730 32.913 1.00 0.00 WAT +ATOM 58016 OH2 TIP3 17236 -5.788 13.106 38.672 1.00 0.00 WAT +ATOM 58017 H1 TIP3 17236 -6.256 12.659 37.950 1.00 0.00 WAT +ATOM 58018 H2 TIP3 17236 -5.571 12.368 39.266 1.00 0.00 WAT +ATOM 58019 OH2 TIP3 17237 -4.908 10.739 40.157 1.00 0.00 WAT +ATOM 58020 H1 TIP3 17237 -5.248 9.901 40.501 1.00 0.00 WAT +ATOM 58021 H2 TIP3 17237 -4.582 11.136 40.987 1.00 0.00 WAT +ATOM 58022 OH2 TIP3 17238 12.623 11.699 42.716 1.00 0.00 WAT +ATOM 58023 H1 TIP3 17238 12.522 11.723 43.681 1.00 0.00 WAT +ATOM 58024 H2 TIP3 17238 13.511 12.066 42.628 1.00 0.00 WAT +ATOM 58025 OH2 TIP3 17239 11.843 5.780 36.135 1.00 0.00 WAT +ATOM 58026 H1 TIP3 17239 12.756 6.091 36.294 1.00 0.00 WAT +ATOM 58027 H2 TIP3 17239 11.761 5.133 36.859 1.00 0.00 WAT +ATOM 58028 OH2 TIP3 17240 12.339 3.731 38.124 1.00 0.00 WAT +ATOM 58029 H1 TIP3 17240 11.664 3.166 38.541 1.00 0.00 WAT +ATOM 58030 H2 TIP3 17240 13.021 3.814 38.822 1.00 0.00 WAT +ATOM 58031 OH2 TIP3 17241 12.086 6.019 43.291 1.00 0.00 WAT +ATOM 58032 H1 TIP3 17241 12.712 5.496 42.773 1.00 0.00 WAT +ATOM 58033 H2 TIP3 17241 12.180 6.902 42.909 1.00 0.00 WAT +ATOM 58034 OH2 TIP3 17242 12.560 3.156 34.690 1.00 0.00 WAT +ATOM 58035 H1 TIP3 17242 12.060 3.462 33.910 1.00 0.00 WAT +ATOM 58036 H2 TIP3 17242 12.450 3.908 35.291 1.00 0.00 WAT +ATOM 58037 OH2 TIP3 17243 10.819 0.739 32.949 1.00 0.00 WAT +ATOM 58038 H1 TIP3 17243 11.100 1.323 32.231 1.00 0.00 WAT +ATOM 58039 H2 TIP3 17243 10.596 -0.087 32.477 1.00 0.00 WAT +ATOM 58040 OH2 TIP3 17244 10.249 1.813 38.958 1.00 0.00 WAT +ATOM 58041 H1 TIP3 17244 10.200 0.852 38.817 1.00 0.00 WAT +ATOM 58042 H2 TIP3 17244 9.900 1.915 39.859 1.00 0.00 WAT +ATOM 58043 OH2 TIP3 17245 -4.891 3.839 42.619 1.00 0.00 WAT +ATOM 58044 H1 TIP3 17245 -4.497 3.955 41.736 1.00 0.00 WAT +ATOM 58045 H2 TIP3 17245 -4.128 3.684 43.203 1.00 0.00 WAT +ATOM 58046 OH2 TIP3 17246 10.306 -1.919 32.161 1.00 0.00 WAT +ATOM 58047 H1 TIP3 17246 10.896 -2.423 32.750 1.00 0.00 WAT +ATOM 58048 H2 TIP3 17246 9.514 -2.472 32.095 1.00 0.00 WAT +ATOM 58049 OH2 TIP3 17247 10.105 -0.647 37.104 1.00 0.00 WAT +ATOM 58050 H1 TIP3 17247 10.358 -1.594 37.160 1.00 0.00 WAT +ATOM 58051 H2 TIP3 17247 10.909 -0.276 36.700 1.00 0.00 WAT +ATOM 58052 OH2 TIP3 17248 10.355 0.106 42.218 1.00 0.00 WAT +ATOM 58053 H1 TIP3 17248 11.309 -0.016 42.350 1.00 0.00 WAT +ATOM 58054 H2 TIP3 17248 9.987 -0.266 43.042 1.00 0.00 WAT +ATOM 58055 OH2 TIP3 17249 10.585 -3.433 37.065 1.00 0.00 WAT +ATOM 58056 H1 TIP3 17249 10.718 -3.759 37.975 1.00 0.00 WAT +ATOM 58057 H2 TIP3 17249 9.785 -3.929 36.796 1.00 0.00 WAT +ATOM 58058 OH2 TIP3 17250 -4.148 -2.117 41.919 1.00 0.00 WAT +ATOM 58059 H1 TIP3 17250 -3.894 -3.050 42.028 1.00 0.00 WAT +ATOM 58060 H2 TIP3 17250 -3.582 -1.713 42.586 1.00 0.00 WAT +ATOM 58061 OH2 TIP3 17251 -5.757 0.716 43.028 1.00 0.00 WAT +ATOM 58062 H1 TIP3 17251 -5.347 0.352 42.228 1.00 0.00 WAT +ATOM 58063 H2 TIP3 17251 -5.493 1.651 42.981 1.00 0.00 WAT +ATOM 58064 OH2 TIP3 17252 12.546 -2.953 33.729 1.00 0.00 WAT +ATOM 58065 H1 TIP3 17252 12.877 -3.758 33.294 1.00 0.00 WAT +ATOM 58066 H2 TIP3 17252 13.361 -2.437 33.846 1.00 0.00 WAT +ATOM 58067 OH2 TIP3 17253 -5.220 -3.281 36.962 1.00 0.00 WAT +ATOM 58068 H1 TIP3 17253 -6.159 -3.178 36.723 1.00 0.00 WAT +ATOM 58069 H2 TIP3 17253 -4.778 -2.676 36.333 1.00 0.00 WAT +ATOM 58070 OH2 TIP3 17254 9.404 12.068 38.986 1.00 0.00 WAT +ATOM 58071 H1 TIP3 17254 9.932 11.798 38.214 1.00 0.00 WAT +ATOM 58072 H2 TIP3 17254 10.085 12.331 39.617 1.00 0.00 WAT +ATOM 58073 OH2 TIP3 17255 -3.415 11.322 42.516 1.00 0.00 WAT +ATOM 58074 H1 TIP3 17255 -3.304 10.975 43.402 1.00 0.00 WAT +ATOM 58075 H2 TIP3 17255 -2.565 11.097 42.082 1.00 0.00 WAT +ATOM 58076 OH2 TIP3 17256 -1.321 10.140 41.205 1.00 0.00 WAT +ATOM 58077 H1 TIP3 17256 -1.378 9.197 41.428 1.00 0.00 WAT +ATOM 58078 H2 TIP3 17256 -0.404 10.366 41.471 1.00 0.00 WAT +ATOM 58079 OH2 TIP3 17257 1.290 10.664 42.137 1.00 0.00 WAT +ATOM 58080 H1 TIP3 17257 1.771 9.874 41.869 1.00 0.00 WAT +ATOM 58081 H2 TIP3 17257 1.453 10.683 43.088 1.00 0.00 WAT +ATOM 58082 OH2 TIP3 17258 4.691 -3.331 41.233 1.00 0.00 WAT +ATOM 58083 H1 TIP3 17258 4.125 -4.072 41.525 1.00 0.00 WAT +ATOM 58084 H2 TIP3 17258 5.404 -3.810 40.759 1.00 0.00 WAT +ATOM 58085 OH2 TIP3 17259 9.640 -4.574 41.472 1.00 0.00 WAT +ATOM 58086 H1 TIP3 17259 10.492 -5.000 41.315 1.00 0.00 WAT +ATOM 58087 H2 TIP3 17259 8.985 -5.242 41.259 1.00 0.00 WAT +ATOM 58088 OH2 TIP3 17260 11.828 -4.295 39.544 1.00 0.00 WAT +ATOM 58089 H1 TIP3 17260 12.581 -4.675 39.060 1.00 0.00 WAT +ATOM 58090 H2 TIP3 17260 12.129 -3.381 39.714 1.00 0.00 WAT +ATOM 58091 OH2 TIP3 17261 -2.874 -4.856 38.889 1.00 0.00 WAT +ATOM 58092 H1 TIP3 17261 -3.685 -4.954 38.359 1.00 0.00 WAT +ATOM 58093 H2 TIP3 17261 -2.428 -5.693 38.697 1.00 0.00 WAT +ATOM 58094 OH2 TIP3 17262 -3.971 -5.246 34.793 1.00 0.00 WAT +ATOM 58095 H1 TIP3 17262 -3.476 -4.565 34.298 1.00 0.00 WAT +ATOM 58096 H2 TIP3 17262 -4.401 -4.724 35.486 1.00 0.00 WAT +ATOM 58097 OH2 TIP3 17263 1.573 -4.932 38.936 1.00 0.00 WAT +ATOM 58098 H1 TIP3 17263 2.453 -4.598 38.687 1.00 0.00 WAT +ATOM 58099 H2 TIP3 17263 1.689 -5.058 39.889 1.00 0.00 WAT +ATOM 58100 OH2 TIP3 17264 6.868 -4.778 39.968 1.00 0.00 WAT +ATOM 58101 H1 TIP3 17264 7.432 -5.010 39.220 1.00 0.00 WAT +ATOM 58102 H2 TIP3 17264 6.743 -5.633 40.409 1.00 0.00 WAT +ATOM 58103 OH2 TIP3 17265 8.260 -4.834 36.178 1.00 0.00 WAT +ATOM 58104 H1 TIP3 17265 7.438 -4.338 36.010 1.00 0.00 WAT +ATOM 58105 H2 TIP3 17265 7.915 -5.737 36.290 1.00 0.00 WAT +ATOM 58106 OH2 TIP3 17266 -3.980 10.754 35.890 1.00 0.00 WAT +ATOM 58107 H1 TIP3 17266 -4.617 10.638 35.171 1.00 0.00 WAT +ATOM 58108 H2 TIP3 17266 -3.948 11.717 35.950 1.00 0.00 WAT +ATOM 58109 OH2 TIP3 17267 -2.375 -3.404 33.210 1.00 0.00 WAT +ATOM 58110 H1 TIP3 17267 -1.764 -3.942 32.675 1.00 0.00 WAT +ATOM 58111 H2 TIP3 17267 -1.770 -3.060 33.896 1.00 0.00 WAT +ATOM 58112 OH2 TIP3 17268 2.667 -3.195 35.861 1.00 0.00 WAT +ATOM 58113 H1 TIP3 17268 3.095 -3.772 36.516 1.00 0.00 WAT +ATOM 58114 H2 TIP3 17268 2.944 -2.332 36.210 1.00 0.00 WAT +ATOM 58115 OH2 TIP3 17269 4.754 12.540 34.102 1.00 0.00 WAT +ATOM 58116 H1 TIP3 17269 5.724 12.581 34.015 1.00 0.00 WAT +ATOM 58117 H2 TIP3 17269 4.542 11.960 33.352 1.00 0.00 WAT +ATOM 58118 OH2 TIP3 17270 11.257 11.609 36.638 1.00 0.00 WAT +ATOM 58119 H1 TIP3 17270 11.033 10.761 36.203 1.00 0.00 WAT +ATOM 58120 H2 TIP3 17270 11.247 12.214 35.879 1.00 0.00 WAT +ATOM 58121 OH2 TIP3 17271 -2.520 11.620 32.739 1.00 0.00 WAT +ATOM 58122 H1 TIP3 17271 -2.641 11.952 33.638 1.00 0.00 WAT +ATOM 58123 H2 TIP3 17271 -1.674 11.140 32.807 1.00 0.00 WAT +ATOM 58124 OH2 TIP3 17272 24.910 4.042 39.185 1.00 0.00 WAT +ATOM 58125 H1 TIP3 17272 24.943 5.005 39.288 1.00 0.00 WAT +ATOM 58126 H2 TIP3 17272 24.135 3.934 38.615 1.00 0.00 WAT +ATOM 58127 OH2 TIP3 17273 23.932 3.399 42.459 1.00 0.00 WAT +ATOM 58128 H1 TIP3 17273 23.800 2.657 43.071 1.00 0.00 WAT +ATOM 58129 H2 TIP3 17273 23.708 3.003 41.607 1.00 0.00 WAT +ATOM 58130 OH2 TIP3 17274 27.471 6.174 40.433 1.00 0.00 WAT +ATOM 58131 H1 TIP3 17274 27.073 5.519 41.029 1.00 0.00 WAT +ATOM 58132 H2 TIP3 17274 27.803 6.798 41.116 1.00 0.00 WAT +ATOM 58133 OH2 TIP3 17275 16.951 7.601 42.498 1.00 0.00 WAT +ATOM 58134 H1 TIP3 17275 16.736 6.698 42.199 1.00 0.00 WAT +ATOM 58135 H2 TIP3 17275 17.925 7.499 42.545 1.00 0.00 WAT +ATOM 58136 OH2 TIP3 17276 13.934 1.109 37.779 1.00 0.00 WAT +ATOM 58137 H1 TIP3 17276 13.552 1.997 37.872 1.00 0.00 WAT +ATOM 58138 H2 TIP3 17276 13.208 0.625 37.368 1.00 0.00 WAT +ATOM 58139 OH2 TIP3 17277 14.690 3.479 39.750 1.00 0.00 WAT +ATOM 58140 H1 TIP3 17277 14.930 2.695 40.275 1.00 0.00 WAT +ATOM 58141 H2 TIP3 17277 15.533 3.678 39.318 1.00 0.00 WAT +ATOM 58142 OH2 TIP3 17278 24.234 11.167 41.150 1.00 0.00 WAT +ATOM 58143 H1 TIP3 17278 25.151 11.156 40.837 1.00 0.00 WAT +ATOM 58144 H2 TIP3 17278 24.335 11.282 42.100 1.00 0.00 WAT +ATOM 58145 OH2 TIP3 17279 21.916 5.696 42.836 1.00 0.00 WAT +ATOM 58146 H1 TIP3 17279 22.321 5.072 42.217 1.00 0.00 WAT +ATOM 58147 H2 TIP3 17279 22.733 6.079 43.217 1.00 0.00 WAT +ATOM 58148 OH2 TIP3 17280 25.394 0.441 43.221 1.00 0.00 WAT +ATOM 58149 H1 TIP3 17280 25.824 -0.412 43.391 1.00 0.00 WAT +ATOM 58150 H2 TIP3 17280 25.454 0.523 42.252 1.00 0.00 WAT +ATOM 58151 OH2 TIP3 17281 18.494 -1.677 40.434 1.00 0.00 WAT +ATOM 58152 H1 TIP3 17281 18.684 -0.834 39.976 1.00 0.00 WAT +ATOM 58153 H2 TIP3 17281 18.177 -2.197 39.669 1.00 0.00 WAT +ATOM 58154 OH2 TIP3 17282 26.391 -1.470 38.657 1.00 0.00 WAT +ATOM 58155 H1 TIP3 17282 26.920 -1.873 39.388 1.00 0.00 WAT +ATOM 58156 H2 TIP3 17282 27.097 -1.042 38.155 1.00 0.00 WAT +ATOM 58157 OH2 TIP3 17283 15.433 0.952 41.016 1.00 0.00 WAT +ATOM 58158 H1 TIP3 17283 15.971 0.345 41.528 1.00 0.00 WAT +ATOM 58159 H2 TIP3 17283 15.487 0.545 40.131 1.00 0.00 WAT +ATOM 58160 OH2 TIP3 17284 20.606 2.390 40.659 1.00 0.00 WAT +ATOM 58161 H1 TIP3 17284 21.302 1.740 40.854 1.00 0.00 WAT +ATOM 58162 H2 TIP3 17284 20.105 1.941 39.954 1.00 0.00 WAT +ATOM 58163 OH2 TIP3 17285 24.980 7.022 37.781 1.00 0.00 WAT +ATOM 58164 H1 TIP3 17285 24.289 6.551 37.293 1.00 0.00 WAT +ATOM 58165 H2 TIP3 17285 24.467 7.786 38.101 1.00 0.00 WAT +ATOM 58166 OH2 TIP3 17286 28.143 -2.067 40.674 1.00 0.00 WAT +ATOM 58167 H1 TIP3 17286 28.121 -2.971 41.069 1.00 0.00 WAT +ATOM 58168 H2 TIP3 17286 28.657 -1.610 41.357 1.00 0.00 WAT +ATOM 58169 OH2 TIP3 17287 17.716 -0.771 42.968 1.00 0.00 WAT +ATOM 58170 H1 TIP3 17287 17.646 0.165 42.753 1.00 0.00 WAT +ATOM 58171 H2 TIP3 17287 17.741 -1.205 42.092 1.00 0.00 WAT +ATOM 58172 OH2 TIP3 17288 14.592 6.595 36.278 1.00 0.00 WAT +ATOM 58173 H1 TIP3 17288 14.428 7.096 35.463 1.00 0.00 WAT +ATOM 58174 H2 TIP3 17288 14.777 7.293 36.942 1.00 0.00 WAT +ATOM 58175 OH2 TIP3 17289 28.207 7.569 42.574 1.00 0.00 WAT +ATOM 58176 H1 TIP3 17289 27.493 7.502 43.237 1.00 0.00 WAT +ATOM 58177 H2 TIP3 17289 28.573 8.432 42.784 1.00 0.00 WAT +ATOM 58178 OH2 TIP3 17290 21.469 -5.299 41.784 1.00 0.00 WAT +ATOM 58179 H1 TIP3 17290 21.433 -6.268 41.824 1.00 0.00 WAT +ATOM 58180 H2 TIP3 17290 20.635 -5.053 42.229 1.00 0.00 WAT +ATOM 58181 OH2 TIP3 17291 26.532 9.921 39.777 1.00 0.00 WAT +ATOM 58182 H1 TIP3 17291 26.909 9.183 39.271 1.00 0.00 WAT +ATOM 58183 H2 TIP3 17291 26.955 10.701 39.392 1.00 0.00 WAT +ATOM 58184 OH2 TIP3 17292 27.910 7.738 38.126 1.00 0.00 WAT +ATOM 58185 H1 TIP3 17292 27.156 7.395 37.619 1.00 0.00 WAT +ATOM 58186 H2 TIP3 17292 27.820 7.208 38.944 1.00 0.00 WAT +ATOM 58187 OH2 TIP3 17293 23.488 3.514 36.263 1.00 0.00 WAT +ATOM 58188 H1 TIP3 17293 22.785 4.196 36.206 1.00 0.00 WAT +ATOM 58189 H2 TIP3 17293 24.111 3.798 35.581 1.00 0.00 WAT +ATOM 58190 OH2 TIP3 17294 23.904 1.774 33.415 1.00 0.00 WAT +ATOM 58191 H1 TIP3 17294 24.543 2.060 34.094 1.00 0.00 WAT +ATOM 58192 H2 TIP3 17294 24.447 1.171 32.890 1.00 0.00 WAT +ATOM 58193 OH2 TIP3 17295 27.116 3.575 37.496 1.00 0.00 WAT +ATOM 58194 H1 TIP3 17295 26.429 3.803 38.160 1.00 0.00 WAT +ATOM 58195 H2 TIP3 17295 27.692 2.993 38.020 1.00 0.00 WAT +ATOM 58196 OH2 TIP3 17296 18.546 4.318 39.471 1.00 0.00 WAT +ATOM 58197 H1 TIP3 17296 18.476 4.218 38.508 1.00 0.00 WAT +ATOM 58198 H2 TIP3 17296 19.481 4.116 39.611 1.00 0.00 WAT +ATOM 58199 OH2 TIP3 17297 19.695 7.355 41.693 1.00 0.00 WAT +ATOM 58200 H1 TIP3 17297 19.728 7.353 40.717 1.00 0.00 WAT +ATOM 58201 H2 TIP3 17297 20.628 7.389 41.935 1.00 0.00 WAT +ATOM 58202 OH2 TIP3 17298 18.900 3.154 42.743 1.00 0.00 WAT +ATOM 58203 H1 TIP3 17298 19.519 3.056 41.990 1.00 0.00 WAT +ATOM 58204 H2 TIP3 17298 19.467 3.541 43.417 1.00 0.00 WAT +ATOM 58205 OH2 TIP3 17299 26.119 2.974 34.929 1.00 0.00 WAT +ATOM 58206 H1 TIP3 17299 26.494 3.298 35.774 1.00 0.00 WAT +ATOM 58207 H2 TIP3 17299 26.587 3.552 34.280 1.00 0.00 WAT +ATOM 58208 OH2 TIP3 17300 23.713 9.762 38.565 1.00 0.00 WAT +ATOM 58209 H1 TIP3 17300 23.938 10.054 39.464 1.00 0.00 WAT +ATOM 58210 H2 TIP3 17300 23.009 10.375 38.317 1.00 0.00 WAT +ATOM 58211 OH2 TIP3 17301 29.501 -5.227 34.404 1.00 0.00 WAT +ATOM 58212 H1 TIP3 17301 28.638 -5.160 34.854 1.00 0.00 WAT +ATOM 58213 H2 TIP3 17301 29.855 -4.334 34.522 1.00 0.00 WAT +ATOM 58214 OH2 TIP3 17302 17.672 3.054 36.809 1.00 0.00 WAT +ATOM 58215 H1 TIP3 17302 17.548 3.821 36.230 1.00 0.00 WAT +ATOM 58216 H2 TIP3 17302 16.989 2.454 36.490 1.00 0.00 WAT +ATOM 58217 OH2 TIP3 17303 30.915 8.906 32.906 1.00 0.00 WAT +ATOM 58218 H1 TIP3 17303 31.049 9.824 33.214 1.00 0.00 WAT +ATOM 58219 H2 TIP3 17303 31.760 8.490 33.166 1.00 0.00 WAT +ATOM 58220 OH2 TIP3 17304 13.822 8.501 42.468 1.00 0.00 WAT +ATOM 58221 H1 TIP3 17304 14.791 8.461 42.427 1.00 0.00 WAT +ATOM 58222 H2 TIP3 17304 13.665 9.399 42.788 1.00 0.00 WAT +ATOM 58223 OH2 TIP3 17305 22.820 12.689 37.013 1.00 0.00 WAT +ATOM 58224 H1 TIP3 17305 23.131 12.554 36.106 1.00 0.00 WAT +ATOM 58225 H2 TIP3 17305 23.416 13.361 37.377 1.00 0.00 WAT +ATOM 58226 OH2 TIP3 17306 16.841 11.506 38.649 1.00 0.00 WAT +ATOM 58227 H1 TIP3 17306 17.060 10.997 39.454 1.00 0.00 WAT +ATOM 58228 H2 TIP3 17306 16.045 11.047 38.349 1.00 0.00 WAT +ATOM 58229 OH2 TIP3 17307 26.346 11.739 34.113 1.00 0.00 WAT +ATOM 58230 H1 TIP3 17307 26.921 11.052 33.732 1.00 0.00 WAT +ATOM 58231 H2 TIP3 17307 26.289 11.449 35.048 1.00 0.00 WAT +ATOM 58232 OH2 TIP3 17308 25.786 11.199 36.965 1.00 0.00 WAT +ATOM 58233 H1 TIP3 17308 24.865 11.402 37.184 1.00 0.00 WAT +ATOM 58234 H2 TIP3 17308 25.882 10.418 37.531 1.00 0.00 WAT +ATOM 58235 OH2 TIP3 17309 19.026 -4.405 42.921 1.00 0.00 WAT +ATOM 58236 H1 TIP3 17309 18.198 -4.498 42.417 1.00 0.00 WAT +ATOM 58237 H2 TIP3 17309 19.088 -3.444 43.065 1.00 0.00 WAT +ATOM 58238 OH2 TIP3 17310 27.618 4.111 32.934 1.00 0.00 WAT +ATOM 58239 H1 TIP3 17310 27.446 3.894 31.999 1.00 0.00 WAT +ATOM 58240 H2 TIP3 17310 28.563 4.333 32.919 1.00 0.00 WAT +ATOM 58241 OH2 TIP3 17311 23.293 -2.145 33.451 1.00 0.00 WAT +ATOM 58242 H1 TIP3 17311 22.782 -2.237 34.269 1.00 0.00 WAT +ATOM 58243 H2 TIP3 17311 22.862 -2.820 32.897 1.00 0.00 WAT +ATOM 58244 OH2 TIP3 17312 18.925 0.585 38.859 1.00 0.00 WAT +ATOM 58245 H1 TIP3 17312 17.970 0.600 38.678 1.00 0.00 WAT +ATOM 58246 H2 TIP3 17312 19.269 0.452 37.956 1.00 0.00 WAT +ATOM 58247 OH2 TIP3 17313 24.457 1.300 37.600 1.00 0.00 WAT +ATOM 58248 H1 TIP3 17313 24.031 2.098 37.210 1.00 0.00 WAT +ATOM 58249 H2 TIP3 17313 25.127 1.113 36.925 1.00 0.00 WAT +ATOM 58250 OH2 TIP3 17314 25.289 0.629 40.400 1.00 0.00 WAT +ATOM 58251 H1 TIP3 17314 25.004 1.183 39.645 1.00 0.00 WAT +ATOM 58252 H2 TIP3 17314 25.509 -0.195 39.919 1.00 0.00 WAT +ATOM 58253 OH2 TIP3 17315 19.703 -1.711 32.329 1.00 0.00 WAT +ATOM 58254 H1 TIP3 17315 19.358 -2.021 33.191 1.00 0.00 WAT +ATOM 58255 H2 TIP3 17315 18.889 -1.563 31.833 1.00 0.00 WAT +ATOM 58256 OH2 TIP3 17316 13.155 -1.798 39.440 1.00 0.00 WAT +ATOM 58257 H1 TIP3 17316 13.740 -1.827 40.218 1.00 0.00 WAT +ATOM 58258 H2 TIP3 17316 13.694 -2.186 38.735 1.00 0.00 WAT +ATOM 58259 OH2 TIP3 17317 14.720 -1.386 35.121 1.00 0.00 WAT +ATOM 58260 H1 TIP3 17317 15.287 -0.895 34.492 1.00 0.00 WAT +ATOM 58261 H2 TIP3 17317 14.039 -0.718 35.319 1.00 0.00 WAT +ATOM 58262 OH2 TIP3 17318 21.594 -1.719 39.838 1.00 0.00 WAT +ATOM 58263 H1 TIP3 17318 20.659 -1.817 40.084 1.00 0.00 WAT +ATOM 58264 H2 TIP3 17318 22.047 -2.006 40.648 1.00 0.00 WAT +ATOM 58265 OH2 TIP3 17319 16.184 -0.561 38.572 1.00 0.00 WAT +ATOM 58266 H1 TIP3 17319 15.407 -0.246 38.075 1.00 0.00 WAT +ATOM 58267 H2 TIP3 17319 16.508 -1.309 38.037 1.00 0.00 WAT +ATOM 58268 OH2 TIP3 17320 19.882 -0.245 36.173 1.00 0.00 WAT +ATOM 58269 H1 TIP3 17320 20.838 -0.099 36.258 1.00 0.00 WAT +ATOM 58270 H2 TIP3 17320 19.599 0.412 35.512 1.00 0.00 WAT +ATOM 58271 OH2 TIP3 17321 26.012 -3.091 42.828 1.00 0.00 WAT +ATOM 58272 H1 TIP3 17321 25.629 -2.765 43.654 1.00 0.00 WAT +ATOM 58273 H2 TIP3 17321 25.281 -3.045 42.196 1.00 0.00 WAT +ATOM 58274 OH2 TIP3 17322 18.307 0.993 33.994 1.00 0.00 WAT +ATOM 58275 H1 TIP3 17322 17.739 0.758 33.247 1.00 0.00 WAT +ATOM 58276 H2 TIP3 17322 19.113 1.286 33.535 1.00 0.00 WAT +ATOM 58277 OH2 TIP3 17323 22.569 0.633 41.920 1.00 0.00 WAT +ATOM 58278 H1 TIP3 17323 23.274 0.311 41.337 1.00 0.00 WAT +ATOM 58279 H2 TIP3 17323 22.609 -0.013 42.640 1.00 0.00 WAT +ATOM 58280 OH2 TIP3 17324 17.989 -2.804 37.860 1.00 0.00 WAT +ATOM 58281 H1 TIP3 17324 17.443 -3.596 37.995 1.00 0.00 WAT +ATOM 58282 H2 TIP3 17324 18.791 -3.167 37.462 1.00 0.00 WAT +ATOM 58283 OH2 TIP3 17325 25.959 -1.479 33.529 1.00 0.00 WAT +ATOM 58284 H1 TIP3 17325 24.979 -1.573 33.556 1.00 0.00 WAT +ATOM 58285 H2 TIP3 17325 26.140 -0.824 34.237 1.00 0.00 WAT +ATOM 58286 OH2 TIP3 17326 26.624 0.262 35.614 1.00 0.00 WAT +ATOM 58287 H1 TIP3 17326 27.485 0.118 36.054 1.00 0.00 WAT +ATOM 58288 H2 TIP3 17326 26.712 1.171 35.266 1.00 0.00 WAT +ATOM 58289 OH2 TIP3 17327 16.848 4.735 41.688 1.00 0.00 WAT +ATOM 58290 H1 TIP3 17327 17.408 4.785 40.885 1.00 0.00 WAT +ATOM 58291 H2 TIP3 17327 17.336 4.039 42.168 1.00 0.00 WAT +ATOM 58292 OH2 TIP3 17328 23.887 6.873 34.703 1.00 0.00 WAT +ATOM 58293 H1 TIP3 17328 23.844 7.693 35.230 1.00 0.00 WAT +ATOM 58294 H2 TIP3 17328 23.186 6.378 35.173 1.00 0.00 WAT +ATOM 58295 OH2 TIP3 17329 31.244 0.241 35.370 1.00 0.00 WAT +ATOM 58296 H1 TIP3 17329 30.652 0.054 34.617 1.00 0.00 WAT +ATOM 58297 H2 TIP3 17329 31.342 1.205 35.257 1.00 0.00 WAT +ATOM 58298 OH2 TIP3 17330 29.423 8.889 35.456 1.00 0.00 WAT +ATOM 58299 H1 TIP3 17330 29.123 8.179 36.048 1.00 0.00 WAT +ATOM 58300 H2 TIP3 17330 29.983 8.423 34.824 1.00 0.00 WAT +ATOM 58301 OH2 TIP3 17331 26.562 4.352 42.510 1.00 0.00 WAT +ATOM 58302 H1 TIP3 17331 25.642 4.059 42.653 1.00 0.00 WAT +ATOM 58303 H2 TIP3 17331 26.926 3.599 42.005 1.00 0.00 WAT +ATOM 58304 OH2 TIP3 17332 19.101 8.460 39.182 1.00 0.00 WAT +ATOM 58305 H1 TIP3 17332 19.881 8.756 38.695 1.00 0.00 WAT +ATOM 58306 H2 TIP3 17332 18.433 8.424 38.493 1.00 0.00 WAT +ATOM 58307 OH2 TIP3 17333 15.291 3.095 33.494 1.00 0.00 WAT +ATOM 58308 H1 TIP3 17333 15.894 3.745 33.903 1.00 0.00 WAT +ATOM 58309 H2 TIP3 17333 14.431 3.383 33.851 1.00 0.00 WAT +ATOM 58310 OH2 TIP3 17334 19.794 11.238 38.037 1.00 0.00 WAT +ATOM 58311 H1 TIP3 17334 18.851 11.318 38.236 1.00 0.00 WAT +ATOM 58312 H2 TIP3 17334 20.148 12.093 38.333 1.00 0.00 WAT +ATOM 58313 OH2 TIP3 17335 26.823 7.305 33.403 1.00 0.00 WAT +ATOM 58314 H1 TIP3 17335 27.224 6.827 34.156 1.00 0.00 WAT +ATOM 58315 H2 TIP3 17335 25.887 7.130 33.596 1.00 0.00 WAT +ATOM 58316 OH2 TIP3 17336 31.648 11.544 33.858 1.00 0.00 WAT +ATOM 58317 H1 TIP3 17336 32.315 12.225 33.670 1.00 0.00 WAT +ATOM 58318 H2 TIP3 17336 30.867 12.118 33.964 1.00 0.00 WAT +ATOM 58319 OH2 TIP3 17337 27.853 5.860 35.648 1.00 0.00 WAT +ATOM 58320 H1 TIP3 17337 27.520 5.234 36.315 1.00 0.00 WAT +ATOM 58321 H2 TIP3 17337 28.791 5.923 35.885 1.00 0.00 WAT +ATOM 58322 OH2 TIP3 17338 21.147 8.328 31.862 1.00 0.00 WAT +ATOM 58323 H1 TIP3 17338 21.430 7.511 31.409 1.00 0.00 WAT +ATOM 58324 H2 TIP3 17338 20.765 7.962 32.683 1.00 0.00 WAT +ATOM 58325 OH2 TIP3 17339 20.185 7.755 34.599 1.00 0.00 WAT +ATOM 58326 H1 TIP3 17339 20.535 7.179 35.318 1.00 0.00 WAT +ATOM 58327 H2 TIP3 17339 20.223 8.630 35.023 1.00 0.00 WAT +ATOM 58328 OH2 TIP3 17340 16.755 5.290 34.992 1.00 0.00 WAT +ATOM 58329 H1 TIP3 17340 16.081 5.686 35.576 1.00 0.00 WAT +ATOM 58330 H2 TIP3 17340 17.323 6.053 34.798 1.00 0.00 WAT +ATOM 58331 OH2 TIP3 17341 25.147 -2.810 36.317 1.00 0.00 WAT +ATOM 58332 H1 TIP3 17341 25.275 -2.218 35.563 1.00 0.00 WAT +ATOM 58333 H2 TIP3 17341 25.538 -2.296 37.047 1.00 0.00 WAT +ATOM 58334 OH2 TIP3 17342 23.037 9.698 35.343 1.00 0.00 WAT +ATOM 58335 H1 TIP3 17342 22.106 9.937 35.463 1.00 0.00 WAT +ATOM 58336 H2 TIP3 17342 23.223 9.981 34.442 1.00 0.00 WAT +ATOM 58337 OH2 TIP3 17343 22.558 -0.789 37.267 1.00 0.00 WAT +ATOM 58338 H1 TIP3 17343 23.274 -0.144 37.437 1.00 0.00 WAT +ATOM 58339 H2 TIP3 17343 22.230 -0.967 38.170 1.00 0.00 WAT +ATOM 58340 OH2 TIP3 17344 23.055 -3.783 38.175 1.00 0.00 WAT +ATOM 58341 H1 TIP3 17344 22.939 -3.152 38.909 1.00 0.00 WAT +ATOM 58342 H2 TIP3 17344 23.832 -3.397 37.726 1.00 0.00 WAT +ATOM 58343 OH2 TIP3 17345 20.054 10.527 35.267 1.00 0.00 WAT +ATOM 58344 H1 TIP3 17345 20.035 11.371 34.772 1.00 0.00 WAT +ATOM 58345 H2 TIP3 17345 19.997 10.842 36.193 1.00 0.00 WAT +ATOM 58346 OH2 TIP3 17346 18.839 -2.763 34.744 1.00 0.00 WAT +ATOM 58347 H1 TIP3 17346 18.861 -1.993 35.341 1.00 0.00 WAT +ATOM 58348 H2 TIP3 17346 19.651 -3.233 35.020 1.00 0.00 WAT +ATOM 58349 OH2 TIP3 17347 27.599 2.020 41.352 1.00 0.00 WAT +ATOM 58350 H1 TIP3 17347 26.810 1.527 41.067 1.00 0.00 WAT +ATOM 58351 H2 TIP3 17347 28.164 1.295 41.716 1.00 0.00 WAT +ATOM 58352 OH2 TIP3 17348 17.294 8.131 33.827 1.00 0.00 WAT +ATOM 58353 H1 TIP3 17348 18.022 8.639 34.218 1.00 0.00 WAT +ATOM 58354 H2 TIP3 17348 17.794 7.576 33.206 1.00 0.00 WAT +ATOM 58355 OH2 TIP3 17349 15.391 0.295 32.914 1.00 0.00 WAT +ATOM 58356 H1 TIP3 17349 15.516 1.232 33.160 1.00 0.00 WAT +ATOM 58357 H2 TIP3 17349 14.507 0.305 32.529 1.00 0.00 WAT +ATOM 58358 OH2 TIP3 17350 28.972 11.722 43.286 1.00 0.00 WAT +ATOM 58359 H1 TIP3 17350 28.441 12.215 42.628 1.00 0.00 WAT +ATOM 58360 H2 TIP3 17350 29.771 11.517 42.785 1.00 0.00 WAT +ATOM 58361 OH2 TIP3 17351 16.267 -4.697 41.719 1.00 0.00 WAT +ATOM 58362 H1 TIP3 17351 16.123 -4.659 40.750 1.00 0.00 WAT +ATOM 58363 H2 TIP3 17351 15.918 -5.569 41.947 1.00 0.00 WAT +ATOM 58364 OH2 TIP3 17352 15.160 8.792 37.990 1.00 0.00 WAT +ATOM 58365 H1 TIP3 17352 14.408 9.356 38.213 1.00 0.00 WAT +ATOM 58366 H2 TIP3 17352 15.602 9.314 37.305 1.00 0.00 WAT +ATOM 58367 OH2 TIP3 17353 23.330 10.041 32.414 1.00 0.00 WAT +ATOM 58368 H1 TIP3 17353 22.551 9.446 32.349 1.00 0.00 WAT +ATOM 58369 H2 TIP3 17353 24.023 9.428 32.128 1.00 0.00 WAT +ATOM 58370 OH2 TIP3 17354 27.976 9.917 32.494 1.00 0.00 WAT +ATOM 58371 H1 TIP3 17354 28.094 9.152 33.083 1.00 0.00 WAT +ATOM 58372 H2 TIP3 17354 28.824 9.942 32.022 1.00 0.00 WAT +ATOM 58373 OH2 TIP3 17355 18.773 5.754 32.291 1.00 0.00 WAT +ATOM 58374 H1 TIP3 17355 18.936 5.191 33.079 1.00 0.00 WAT +ATOM 58375 H2 TIP3 17355 19.653 5.727 31.888 1.00 0.00 WAT +ATOM 58376 OH2 TIP3 17356 24.047 7.131 31.923 1.00 0.00 WAT +ATOM 58377 H1 TIP3 17356 23.872 7.053 32.886 1.00 0.00 WAT +ATOM 58378 H2 TIP3 17356 23.938 6.189 31.672 1.00 0.00 WAT +ATOM 58379 OH2 TIP3 17357 19.722 3.942 34.343 1.00 0.00 WAT +ATOM 58380 H1 TIP3 17357 19.536 3.649 35.244 1.00 0.00 WAT +ATOM 58381 H2 TIP3 17357 20.167 3.166 33.960 1.00 0.00 WAT +ATOM 58382 OH2 TIP3 17358 20.816 1.818 32.877 1.00 0.00 WAT +ATOM 58383 H1 TIP3 17358 20.762 1.962 31.916 1.00 0.00 WAT +ATOM 58384 H2 TIP3 17358 21.778 1.843 33.032 1.00 0.00 WAT +ATOM 58385 OH2 TIP3 17359 30.343 4.407 32.196 1.00 0.00 WAT +ATOM 58386 H1 TIP3 17359 30.186 3.972 31.349 1.00 0.00 WAT +ATOM 58387 H2 TIP3 17359 30.191 5.349 31.965 1.00 0.00 WAT +ATOM 58388 OH2 TIP3 17360 20.564 13.123 33.951 1.00 0.00 WAT +ATOM 58389 H1 TIP3 17360 21.508 13.241 34.132 1.00 0.00 WAT +ATOM 58390 H2 TIP3 17360 20.479 13.571 33.102 1.00 0.00 WAT +ATOM 58391 OH2 TIP3 17361 14.492 7.522 33.483 1.00 0.00 WAT +ATOM 58392 H1 TIP3 17361 15.447 7.674 33.645 1.00 0.00 WAT +ATOM 58393 H2 TIP3 17361 14.507 6.715 32.931 1.00 0.00 WAT +ATOM 58394 OH2 TIP3 17362 13.445 12.723 38.259 1.00 0.00 WAT +ATOM 58395 H1 TIP3 17362 12.753 12.316 37.703 1.00 0.00 WAT +ATOM 58396 H2 TIP3 17362 13.592 12.022 38.927 1.00 0.00 WAT +ATOM 58397 OH2 TIP3 17363 13.906 10.701 40.171 1.00 0.00 WAT +ATOM 58398 H1 TIP3 17363 13.573 9.833 40.440 1.00 0.00 WAT +ATOM 58399 H2 TIP3 17363 14.177 11.035 41.046 1.00 0.00 WAT +ATOM 58400 OH2 TIP3 17364 31.611 12.077 42.692 1.00 0.00 WAT +ATOM 58401 H1 TIP3 17364 31.352 11.961 43.622 1.00 0.00 WAT +ATOM 58402 H2 TIP3 17364 32.574 12.122 42.778 1.00 0.00 WAT +ATOM 58403 OH2 TIP3 17365 30.759 5.761 36.108 1.00 0.00 WAT +ATOM 58404 H1 TIP3 17365 31.656 6.054 36.344 1.00 0.00 WAT +ATOM 58405 H2 TIP3 17365 30.576 5.148 36.838 1.00 0.00 WAT +ATOM 58406 OH2 TIP3 17366 31.256 3.662 38.150 1.00 0.00 WAT +ATOM 58407 H1 TIP3 17366 30.502 3.175 38.539 1.00 0.00 WAT +ATOM 58408 H2 TIP3 17366 31.826 3.834 38.920 1.00 0.00 WAT +ATOM 58409 OH2 TIP3 17367 30.942 6.061 43.358 1.00 0.00 WAT +ATOM 58410 H1 TIP3 17367 31.459 5.542 42.732 1.00 0.00 WAT +ATOM 58411 H2 TIP3 17367 30.761 6.882 42.881 1.00 0.00 WAT +ATOM 58412 OH2 TIP3 17368 31.469 3.197 34.668 1.00 0.00 WAT +ATOM 58413 H1 TIP3 17368 30.919 3.465 33.909 1.00 0.00 WAT +ATOM 58414 H2 TIP3 17368 31.285 3.920 35.289 1.00 0.00 WAT +ATOM 58415 OH2 TIP3 17369 29.685 0.747 32.939 1.00 0.00 WAT +ATOM 58416 H1 TIP3 17369 29.960 1.305 32.202 1.00 0.00 WAT +ATOM 58417 H2 TIP3 17369 29.447 -0.093 32.497 1.00 0.00 WAT +ATOM 58418 OH2 TIP3 17370 29.110 1.865 38.935 1.00 0.00 WAT +ATOM 58419 H1 TIP3 17370 29.037 0.908 38.785 1.00 0.00 WAT +ATOM 58420 H2 TIP3 17370 28.725 1.963 39.826 1.00 0.00 WAT +ATOM 58421 OH2 TIP3 17371 13.959 3.743 42.624 1.00 0.00 WAT +ATOM 58422 H1 TIP3 17371 14.305 3.992 41.750 1.00 0.00 WAT +ATOM 58423 H2 TIP3 17371 14.773 3.710 43.156 1.00 0.00 WAT +ATOM 58424 OH2 TIP3 17372 29.181 -1.924 32.129 1.00 0.00 WAT +ATOM 58425 H1 TIP3 17372 29.758 -2.413 32.746 1.00 0.00 WAT +ATOM 58426 H2 TIP3 17372 28.367 -2.449 32.116 1.00 0.00 WAT +ATOM 58427 OH2 TIP3 17373 28.974 -0.634 37.094 1.00 0.00 WAT +ATOM 58428 H1 TIP3 17373 29.190 -1.588 37.165 1.00 0.00 WAT +ATOM 58429 H2 TIP3 17373 29.795 -0.299 36.696 1.00 0.00 WAT +ATOM 58430 OH2 TIP3 17374 29.216 0.101 42.235 1.00 0.00 WAT +ATOM 58431 H1 TIP3 17374 30.165 -0.008 42.401 1.00 0.00 WAT +ATOM 58432 H2 TIP3 17374 28.816 -0.288 43.035 1.00 0.00 WAT +ATOM 58433 OH2 TIP3 17375 29.448 -3.432 37.056 1.00 0.00 WAT +ATOM 58434 H1 TIP3 17375 29.589 -3.771 37.961 1.00 0.00 WAT +ATOM 58435 H2 TIP3 17375 28.645 -3.926 36.791 1.00 0.00 WAT +ATOM 58436 OH2 TIP3 17376 14.670 -2.129 41.941 1.00 0.00 WAT +ATOM 58437 H1 TIP3 17376 14.980 -3.045 42.036 1.00 0.00 WAT +ATOM 58438 H2 TIP3 17376 15.276 -1.675 42.536 1.00 0.00 WAT +ATOM 58439 OH2 TIP3 17377 13.113 0.740 43.029 1.00 0.00 WAT +ATOM 58440 H1 TIP3 17377 13.533 0.369 42.236 1.00 0.00 WAT +ATOM 58441 H2 TIP3 17377 13.391 1.674 42.965 1.00 0.00 WAT +ATOM 58442 OH2 TIP3 17378 31.417 -2.920 33.696 1.00 0.00 WAT +ATOM 58443 H1 TIP3 17378 31.722 -3.776 33.347 1.00 0.00 WAT +ATOM 58444 H2 TIP3 17378 32.258 -2.458 33.847 1.00 0.00 WAT +ATOM 58445 OH2 TIP3 17379 13.665 -3.260 36.907 1.00 0.00 WAT +ATOM 58446 H1 TIP3 17379 12.714 -3.176 36.725 1.00 0.00 WAT +ATOM 58447 H2 TIP3 17379 14.067 -2.628 36.279 1.00 0.00 WAT +ATOM 58448 OH2 TIP3 17380 28.320 12.173 38.906 1.00 0.00 WAT +ATOM 58449 H1 TIP3 17380 28.834 11.735 38.213 1.00 0.00 WAT +ATOM 58450 H2 TIP3 17380 28.965 12.328 39.602 1.00 0.00 WAT +ATOM 58451 OH2 TIP3 17381 15.326 11.097 42.599 1.00 0.00 WAT +ATOM 58452 H1 TIP3 17381 15.670 11.082 43.513 1.00 0.00 WAT +ATOM 58453 H2 TIP3 17381 16.152 10.854 42.120 1.00 0.00 WAT +ATOM 58454 OH2 TIP3 17382 17.511 10.231 41.238 1.00 0.00 WAT +ATOM 58455 H1 TIP3 17382 17.456 9.259 41.320 1.00 0.00 WAT +ATOM 58456 H2 TIP3 17382 18.461 10.374 41.427 1.00 0.00 WAT +ATOM 58457 OH2 TIP3 17383 20.183 10.742 42.128 1.00 0.00 WAT +ATOM 58458 H1 TIP3 17383 20.584 9.955 41.740 1.00 0.00 WAT +ATOM 58459 H2 TIP3 17383 20.353 10.600 43.066 1.00 0.00 WAT +ATOM 58460 OH2 TIP3 17384 23.566 -3.322 41.264 1.00 0.00 WAT +ATOM 58461 H1 TIP3 17384 22.974 -4.052 41.532 1.00 0.00 WAT +ATOM 58462 H2 TIP3 17384 24.253 -3.807 40.762 1.00 0.00 WAT +ATOM 58463 OH2 TIP3 17385 28.510 -4.594 41.526 1.00 0.00 WAT +ATOM 58464 H1 TIP3 17385 29.349 -5.005 41.285 1.00 0.00 WAT +ATOM 58465 H2 TIP3 17385 27.829 -5.200 41.221 1.00 0.00 WAT +ATOM 58466 OH2 TIP3 17386 30.649 -4.270 39.528 1.00 0.00 WAT +ATOM 58467 H1 TIP3 17386 31.416 -4.714 39.119 1.00 0.00 WAT +ATOM 58468 H2 TIP3 17386 30.978 -3.375 39.710 1.00 0.00 WAT +ATOM 58469 OH2 TIP3 17387 15.943 -4.706 38.896 1.00 0.00 WAT +ATOM 58470 H1 TIP3 17387 15.093 -4.840 38.432 1.00 0.00 WAT +ATOM 58471 H2 TIP3 17387 16.382 -5.561 38.731 1.00 0.00 WAT +ATOM 58472 OH2 TIP3 17388 14.764 -5.210 34.772 1.00 0.00 WAT +ATOM 58473 H1 TIP3 17388 15.271 -4.549 34.263 1.00 0.00 WAT +ATOM 58474 H2 TIP3 17388 14.360 -4.664 35.467 1.00 0.00 WAT +ATOM 58475 OH2 TIP3 17389 20.455 -4.949 38.907 1.00 0.00 WAT +ATOM 58476 H1 TIP3 17389 21.334 -4.581 38.714 1.00 0.00 WAT +ATOM 58477 H2 TIP3 17389 20.496 -5.037 39.869 1.00 0.00 WAT +ATOM 58478 OH2 TIP3 17390 25.769 -4.779 39.987 1.00 0.00 WAT +ATOM 58479 H1 TIP3 17390 26.270 -5.025 39.202 1.00 0.00 WAT +ATOM 58480 H2 TIP3 17390 25.589 -5.637 40.403 1.00 0.00 WAT +ATOM 58481 OH2 TIP3 17391 27.132 -4.843 36.155 1.00 0.00 WAT +ATOM 58482 H1 TIP3 17391 26.315 -4.314 36.057 1.00 0.00 WAT +ATOM 58483 H2 TIP3 17391 26.762 -5.732 36.295 1.00 0.00 WAT +ATOM 58484 OH2 TIP3 17392 14.937 10.748 35.936 1.00 0.00 WAT +ATOM 58485 H1 TIP3 17392 14.304 10.630 35.212 1.00 0.00 WAT +ATOM 58486 H2 TIP3 17392 14.943 11.712 36.010 1.00 0.00 WAT +ATOM 58487 OH2 TIP3 17393 16.477 -3.393 33.209 1.00 0.00 WAT +ATOM 58488 H1 TIP3 17393 17.092 -3.944 32.697 1.00 0.00 WAT +ATOM 58489 H2 TIP3 17393 17.069 -3.053 33.907 1.00 0.00 WAT +ATOM 58490 OH2 TIP3 17394 21.566 -3.216 35.832 1.00 0.00 WAT +ATOM 58491 H1 TIP3 17394 21.952 -3.755 36.542 1.00 0.00 WAT +ATOM 58492 H2 TIP3 17394 21.744 -2.331 36.188 1.00 0.00 WAT +ATOM 58493 OH2 TIP3 17395 23.647 12.666 33.970 1.00 0.00 WAT +ATOM 58494 H1 TIP3 17395 24.617 12.591 34.022 1.00 0.00 WAT +ATOM 58495 H2 TIP3 17395 23.433 11.900 33.418 1.00 0.00 WAT +ATOM 58496 OH2 TIP3 17396 30.202 11.583 36.604 1.00 0.00 WAT +ATOM 58497 H1 TIP3 17396 29.892 10.758 36.176 1.00 0.00 WAT +ATOM 58498 H2 TIP3 17396 29.987 12.243 35.925 1.00 0.00 WAT +ATOM 58499 OH2 TIP3 17397 16.390 11.711 32.733 1.00 0.00 WAT +ATOM 58500 H1 TIP3 17397 16.148 11.967 33.634 1.00 0.00 WAT +ATOM 58501 H2 TIP3 17397 17.150 11.124 32.880 1.00 0.00 WAT +ATOM 58502 OH2 TIP3 17398 42.148 3.406 42.225 1.00 0.00 WAT +ATOM 58503 H1 TIP3 17398 42.647 3.023 42.966 1.00 0.00 WAT +ATOM 58504 H2 TIP3 17398 42.350 2.800 41.501 1.00 0.00 WAT +ATOM 58505 OH2 TIP3 17399 32.802 1.229 37.787 1.00 0.00 WAT +ATOM 58506 H1 TIP3 17399 32.280 2.049 37.827 1.00 0.00 WAT +ATOM 58507 H2 TIP3 17399 32.140 0.594 37.487 1.00 0.00 WAT +ATOM 58508 OH2 TIP3 17400 33.724 3.576 39.889 1.00 0.00 WAT +ATOM 58509 H1 TIP3 17400 33.782 2.688 40.291 1.00 0.00 WAT +ATOM 58510 H2 TIP3 17400 34.364 3.500 39.173 1.00 0.00 WAT +ATOM 58511 OH2 TIP3 17401 40.516 5.642 42.506 1.00 0.00 WAT +ATOM 58512 H1 TIP3 17401 41.028 4.887 42.136 1.00 0.00 WAT +ATOM 58513 H2 TIP3 17401 41.257 6.024 43.036 1.00 0.00 WAT +ATOM 58514 OH2 TIP3 17402 37.364 -1.684 40.419 1.00 0.00 WAT +ATOM 58515 H1 TIP3 17402 37.527 -0.854 39.940 1.00 0.00 WAT +ATOM 58516 H2 TIP3 17402 37.064 -2.257 39.688 1.00 0.00 WAT +ATOM 58517 OH2 TIP3 17403 34.375 1.011 40.974 1.00 0.00 WAT +ATOM 58518 H1 TIP3 17403 34.733 0.350 41.571 1.00 0.00 WAT +ATOM 58519 H2 TIP3 17403 34.336 0.511 40.139 1.00 0.00 WAT +ATOM 58520 OH2 TIP3 17404 39.375 2.389 40.569 1.00 0.00 WAT +ATOM 58521 H1 TIP3 17404 40.158 1.851 40.815 1.00 0.00 WAT +ATOM 58522 H2 TIP3 17404 38.946 1.780 39.937 1.00 0.00 WAT +ATOM 58523 OH2 TIP3 17405 36.661 -0.766 43.004 1.00 0.00 WAT +ATOM 58524 H1 TIP3 17405 36.424 0.141 42.791 1.00 0.00 WAT +ATOM 58525 H2 TIP3 17405 36.565 -1.235 42.153 1.00 0.00 WAT +ATOM 58526 OH2 TIP3 17406 33.526 6.599 36.267 1.00 0.00 WAT +ATOM 58527 H1 TIP3 17406 33.242 7.076 35.469 1.00 0.00 WAT +ATOM 58528 H2 TIP3 17406 33.638 7.311 36.930 1.00 0.00 WAT +ATOM 58529 OH2 TIP3 17407 40.432 -5.327 41.868 1.00 0.00 WAT +ATOM 58530 H1 TIP3 17407 40.271 -6.287 41.857 1.00 0.00 WAT +ATOM 58531 H2 TIP3 17407 39.568 -5.000 42.181 1.00 0.00 WAT +ATOM 58532 OH2 TIP3 17408 42.676 3.470 36.340 1.00 0.00 WAT +ATOM 58533 H1 TIP3 17408 42.000 4.122 36.098 1.00 0.00 WAT +ATOM 58534 H2 TIP3 17408 43.318 3.592 35.639 1.00 0.00 WAT +ATOM 58535 OH2 TIP3 17409 42.905 1.925 33.495 1.00 0.00 WAT +ATOM 58536 H1 TIP3 17409 43.655 1.830 34.103 1.00 0.00 WAT +ATOM 58537 H2 TIP3 17409 42.922 1.099 32.999 1.00 0.00 WAT +ATOM 58538 OH2 TIP3 17410 37.629 4.410 39.267 1.00 0.00 WAT +ATOM 58539 H1 TIP3 17410 37.195 3.960 38.513 1.00 0.00 WAT +ATOM 58540 H2 TIP3 17410 38.129 3.674 39.668 1.00 0.00 WAT +ATOM 58541 OH2 TIP3 17411 37.844 3.265 42.742 1.00 0.00 WAT +ATOM 58542 H1 TIP3 17411 38.489 2.996 42.060 1.00 0.00 WAT +ATOM 58543 H2 TIP3 17411 38.392 3.353 43.531 1.00 0.00 WAT +ATOM 58544 OH2 TIP3 17412 42.425 9.580 38.504 1.00 0.00 WAT +ATOM 58545 H1 TIP3 17412 42.987 10.051 39.145 1.00 0.00 WAT +ATOM 58546 H2 TIP3 17412 42.016 10.313 38.026 1.00 0.00 WAT +ATOM 58547 OH2 TIP3 17413 36.477 3.145 36.840 1.00 0.00 WAT +ATOM 58548 H1 TIP3 17413 36.252 3.841 36.196 1.00 0.00 WAT +ATOM 58549 H2 TIP3 17413 35.893 2.423 36.565 1.00 0.00 WAT +ATOM 58550 OH2 TIP3 17414 32.650 8.607 42.253 1.00 0.00 WAT +ATOM 58551 H1 TIP3 17414 33.552 8.497 42.558 1.00 0.00 WAT +ATOM 58552 H2 TIP3 17414 32.298 9.262 42.872 1.00 0.00 WAT +ATOM 58553 OH2 TIP3 17415 41.838 12.327 36.985 1.00 0.00 WAT +ATOM 58554 H1 TIP3 17415 42.047 12.372 36.040 1.00 0.00 WAT +ATOM 58555 H2 TIP3 17415 42.063 13.206 37.313 1.00 0.00 WAT +ATOM 58556 OH2 TIP3 17416 35.747 11.456 38.641 1.00 0.00 WAT +ATOM 58557 H1 TIP3 17416 35.841 10.994 39.494 1.00 0.00 WAT +ATOM 58558 H2 TIP3 17416 34.901 11.103 38.329 1.00 0.00 WAT +ATOM 58559 OH2 TIP3 17417 37.912 -4.372 42.915 1.00 0.00 WAT +ATOM 58560 H1 TIP3 17417 37.096 -4.570 42.428 1.00 0.00 WAT +ATOM 58561 H2 TIP3 17417 37.839 -3.422 43.080 1.00 0.00 WAT +ATOM 58562 OH2 TIP3 17418 42.280 -2.047 33.501 1.00 0.00 WAT +ATOM 58563 H1 TIP3 17418 41.730 -2.290 34.265 1.00 0.00 WAT +ATOM 58564 H2 TIP3 17418 42.023 -2.753 32.887 1.00 0.00 WAT +ATOM 58565 OH2 TIP3 17419 37.761 0.702 38.821 1.00 0.00 WAT +ATOM 58566 H1 TIP3 17419 36.806 0.548 38.680 1.00 0.00 WAT +ATOM 58567 H2 TIP3 17419 38.111 0.428 37.950 1.00 0.00 WAT +ATOM 58568 OH2 TIP3 17420 42.761 1.157 38.378 1.00 0.00 WAT +ATOM 58569 H1 TIP3 17420 42.735 2.073 38.054 1.00 0.00 WAT +ATOM 58570 H2 TIP3 17420 43.690 1.007 38.597 1.00 0.00 WAT +ATOM 58571 OH2 TIP3 17421 38.591 -1.555 32.367 1.00 0.00 WAT +ATOM 58572 H1 TIP3 17421 38.249 -1.975 33.184 1.00 0.00 WAT +ATOM 58573 H2 TIP3 17421 37.824 -1.583 31.785 1.00 0.00 WAT +ATOM 58574 OH2 TIP3 17422 32.135 -1.624 39.395 1.00 0.00 WAT +ATOM 58575 H1 TIP3 17422 32.603 -1.866 40.213 1.00 0.00 WAT +ATOM 58576 H2 TIP3 17422 32.497 -2.222 38.719 1.00 0.00 WAT +ATOM 58577 OH2 TIP3 17423 33.594 -1.382 35.107 1.00 0.00 WAT +ATOM 58578 H1 TIP3 17423 34.141 -0.884 34.471 1.00 0.00 WAT +ATOM 58579 H2 TIP3 17423 32.894 -0.736 35.315 1.00 0.00 WAT +ATOM 58580 OH2 TIP3 17424 40.478 -1.820 39.845 1.00 0.00 WAT +ATOM 58581 H1 TIP3 17424 39.537 -1.975 40.035 1.00 0.00 WAT +ATOM 58582 H2 TIP3 17424 40.866 -1.982 40.716 1.00 0.00 WAT +ATOM 58583 OH2 TIP3 17425 35.152 -0.501 38.478 1.00 0.00 WAT +ATOM 58584 H1 TIP3 17425 34.272 -0.319 38.107 1.00 0.00 WAT +ATOM 58585 H2 TIP3 17425 35.391 -1.349 38.056 1.00 0.00 WAT +ATOM 58586 OH2 TIP3 17426 38.732 -0.200 36.225 1.00 0.00 WAT +ATOM 58587 H1 TIP3 17426 39.700 -0.118 36.257 1.00 0.00 WAT +ATOM 58588 H2 TIP3 17426 38.470 0.387 35.496 1.00 0.00 WAT +ATOM 58589 OH2 TIP3 17427 37.211 1.102 33.982 1.00 0.00 WAT +ATOM 58590 H1 TIP3 17427 36.592 0.741 33.328 1.00 0.00 WAT +ATOM 58591 H2 TIP3 17427 38.030 1.146 33.464 1.00 0.00 WAT +ATOM 58592 OH2 TIP3 17428 41.279 0.588 41.529 1.00 0.00 WAT +ATOM 58593 H1 TIP3 17428 41.880 0.134 40.919 1.00 0.00 WAT +ATOM 58594 H2 TIP3 17428 41.524 0.184 42.376 1.00 0.00 WAT +ATOM 58595 OH2 TIP3 17429 36.759 -2.908 37.845 1.00 0.00 WAT +ATOM 58596 H1 TIP3 17429 36.249 -3.715 38.044 1.00 0.00 WAT +ATOM 58597 H2 TIP3 17429 37.600 -3.292 37.561 1.00 0.00 WAT +ATOM 58598 OH2 TIP3 17430 40.666 5.531 35.843 1.00 0.00 WAT +ATOM 58599 H1 TIP3 17430 39.942 4.994 35.447 1.00 0.00 WAT +ATOM 58600 H2 TIP3 17430 40.526 5.427 36.794 1.00 0.00 WAT +ATOM 58601 OH2 TIP3 17431 35.829 5.074 41.716 1.00 0.00 WAT +ATOM 58602 H1 TIP3 17431 36.103 4.834 40.824 1.00 0.00 WAT +ATOM 58603 H2 TIP3 17431 36.003 4.251 42.199 1.00 0.00 WAT +ATOM 58604 OH2 TIP3 17432 42.869 6.900 34.819 1.00 0.00 WAT +ATOM 58605 H1 TIP3 17432 42.600 7.793 35.116 1.00 0.00 WAT +ATOM 58606 H2 TIP3 17432 42.109 6.372 35.133 1.00 0.00 WAT +ATOM 58607 OH2 TIP3 17433 38.112 8.312 39.296 1.00 0.00 WAT +ATOM 58608 H1 TIP3 17433 38.604 9.085 38.955 1.00 0.00 WAT +ATOM 58609 H2 TIP3 17433 37.284 8.404 38.802 1.00 0.00 WAT +ATOM 58610 OH2 TIP3 17434 34.136 3.105 33.492 1.00 0.00 WAT +ATOM 58611 H1 TIP3 17434 34.710 3.772 33.907 1.00 0.00 WAT +ATOM 58612 H2 TIP3 17434 33.265 3.331 33.878 1.00 0.00 WAT +ATOM 58613 OH2 TIP3 17435 39.889 6.044 39.068 1.00 0.00 WAT +ATOM 58614 H1 TIP3 17435 39.700 6.853 38.574 1.00 0.00 WAT +ATOM 58615 H2 TIP3 17435 39.144 5.454 38.855 1.00 0.00 WAT +ATOM 58616 OH2 TIP3 17436 38.587 11.171 38.132 1.00 0.00 WAT +ATOM 58617 H1 TIP3 17436 37.636 11.357 38.203 1.00 0.00 WAT +ATOM 58618 H2 TIP3 17436 38.973 12.038 38.367 1.00 0.00 WAT +ATOM 58619 OH2 TIP3 17437 39.938 8.380 31.937 1.00 0.00 WAT +ATOM 58620 H1 TIP3 17437 40.292 7.618 31.439 1.00 0.00 WAT +ATOM 58621 H2 TIP3 17437 39.554 7.930 32.707 1.00 0.00 WAT +ATOM 58622 OH2 TIP3 17438 38.822 7.810 34.723 1.00 0.00 WAT +ATOM 58623 H1 TIP3 17438 39.409 7.303 35.299 1.00 0.00 WAT +ATOM 58624 H2 TIP3 17438 38.998 8.736 34.993 1.00 0.00 WAT +ATOM 58625 OH2 TIP3 17439 35.687 5.309 35.057 1.00 0.00 WAT +ATOM 58626 H1 TIP3 17439 34.937 5.682 35.566 1.00 0.00 WAT +ATOM 58627 H2 TIP3 17439 36.120 6.123 34.752 1.00 0.00 WAT +ATOM 58628 OH2 TIP3 17440 41.658 9.463 35.217 1.00 0.00 WAT +ATOM 58629 H1 TIP3 17440 40.876 10.004 35.428 1.00 0.00 WAT +ATOM 58630 H2 TIP3 17440 42.111 10.024 34.579 1.00 0.00 WAT +ATOM 58631 OH2 TIP3 17441 41.381 -0.850 37.270 1.00 0.00 WAT +ATOM 58632 H1 TIP3 17441 42.003 -0.177 37.625 1.00 0.00 WAT +ATOM 58633 H2 TIP3 17441 40.993 -1.137 38.117 1.00 0.00 WAT +ATOM 58634 OH2 TIP3 17442 41.987 -3.842 38.497 1.00 0.00 WAT +ATOM 58635 H1 TIP3 17442 41.642 -3.048 38.956 1.00 0.00 WAT +ATOM 58636 H2 TIP3 17442 42.704 -3.472 37.952 1.00 0.00 WAT +ATOM 58637 OH2 TIP3 17443 38.952 10.544 35.276 1.00 0.00 WAT +ATOM 58638 H1 TIP3 17443 38.908 11.350 34.720 1.00 0.00 WAT +ATOM 58639 H2 TIP3 17443 38.810 10.910 36.169 1.00 0.00 WAT +ATOM 58640 OH2 TIP3 17444 37.689 -2.724 34.680 1.00 0.00 WAT +ATOM 58641 H1 TIP3 17444 37.695 -2.054 35.384 1.00 0.00 WAT +ATOM 58642 H2 TIP3 17444 38.363 -3.358 34.980 1.00 0.00 WAT +ATOM 58643 OH2 TIP3 17445 36.108 8.107 33.805 1.00 0.00 WAT +ATOM 58644 H1 TIP3 17445 36.841 8.596 34.214 1.00 0.00 WAT +ATOM 58645 H2 TIP3 17445 36.604 7.600 33.143 1.00 0.00 WAT +ATOM 58646 OH2 TIP3 17446 34.276 0.332 32.884 1.00 0.00 WAT +ATOM 58647 H1 TIP3 17446 34.343 1.268 33.154 1.00 0.00 WAT +ATOM 58648 H2 TIP3 17446 33.363 0.271 32.581 1.00 0.00 WAT +ATOM 58649 OH2 TIP3 17447 35.031 -4.674 41.650 1.00 0.00 WAT +ATOM 58650 H1 TIP3 17447 35.029 -4.780 40.676 1.00 0.00 WAT +ATOM 58651 H2 TIP3 17447 34.816 -5.570 41.945 1.00 0.00 WAT +ATOM 58652 OH2 TIP3 17448 34.088 8.826 37.990 1.00 0.00 WAT +ATOM 58653 H1 TIP3 17448 33.302 9.304 38.293 1.00 0.00 WAT +ATOM 58654 H2 TIP3 17448 34.384 9.383 37.251 1.00 0.00 WAT +ATOM 58655 OH2 TIP3 17449 42.309 10.028 32.251 1.00 0.00 WAT +ATOM 58656 H1 TIP3 17449 41.478 9.509 32.261 1.00 0.00 WAT +ATOM 58657 H2 TIP3 17449 42.943 9.301 32.120 1.00 0.00 WAT +ATOM 58658 OH2 TIP3 17450 37.632 5.804 32.275 1.00 0.00 WAT +ATOM 58659 H1 TIP3 17450 37.774 5.187 33.011 1.00 0.00 WAT +ATOM 58660 H2 TIP3 17450 38.486 5.737 31.807 1.00 0.00 WAT +ATOM 58661 OH2 TIP3 17451 42.597 7.110 31.829 1.00 0.00 WAT +ATOM 58662 H1 TIP3 17451 42.789 7.211 32.778 1.00 0.00 WAT +ATOM 58663 H2 TIP3 17451 42.449 6.151 31.771 1.00 0.00 WAT +ATOM 58664 OH2 TIP3 17452 38.745 3.836 34.641 1.00 0.00 WAT +ATOM 58665 H1 TIP3 17452 38.068 3.341 35.127 1.00 0.00 WAT +ATOM 58666 H2 TIP3 17452 39.026 3.162 33.987 1.00 0.00 WAT +ATOM 58667 OH2 TIP3 17453 39.799 1.897 32.903 1.00 0.00 WAT +ATOM 58668 H1 TIP3 17453 39.691 1.893 31.936 1.00 0.00 WAT +ATOM 58669 H2 TIP3 17453 40.762 1.972 32.992 1.00 0.00 WAT +ATOM 58670 OH2 TIP3 17454 39.567 13.074 33.984 1.00 0.00 WAT +ATOM 58671 H1 TIP3 17454 40.526 13.163 34.051 1.00 0.00 WAT +ATOM 58672 H2 TIP3 17454 39.397 13.572 33.172 1.00 0.00 WAT +ATOM 58673 OH2 TIP3 17455 33.335 7.518 33.493 1.00 0.00 WAT +ATOM 58674 H1 TIP3 17455 34.288 7.694 33.643 1.00 0.00 WAT +ATOM 58675 H2 TIP3 17455 33.360 6.722 32.926 1.00 0.00 WAT +ATOM 58676 OH2 TIP3 17456 32.385 12.678 38.201 1.00 0.00 WAT +ATOM 58677 H1 TIP3 17456 31.641 12.324 37.673 1.00 0.00 WAT +ATOM 58678 H2 TIP3 17456 32.423 12.032 38.934 1.00 0.00 WAT +ATOM 58679 OH2 TIP3 17457 32.768 10.694 40.190 1.00 0.00 WAT +ATOM 58680 H1 TIP3 17457 32.444 9.829 40.494 1.00 0.00 WAT +ATOM 58681 H2 TIP3 17457 32.942 11.087 41.064 1.00 0.00 WAT +ATOM 58682 OH2 TIP3 17458 32.790 3.745 42.600 1.00 0.00 WAT +ATOM 58683 H1 TIP3 17458 33.187 3.998 41.749 1.00 0.00 WAT +ATOM 58684 H2 TIP3 17458 33.555 3.697 43.200 1.00 0.00 WAT +ATOM 58685 OH2 TIP3 17459 33.549 -2.105 41.923 1.00 0.00 WAT +ATOM 58686 H1 TIP3 17459 33.784 -3.049 41.992 1.00 0.00 WAT +ATOM 58687 H2 TIP3 17459 34.145 -1.737 42.584 1.00 0.00 WAT +ATOM 58688 OH2 TIP3 17460 31.968 0.719 43.037 1.00 0.00 WAT +ATOM 58689 H1 TIP3 17460 32.357 0.333 42.238 1.00 0.00 WAT +ATOM 58690 H2 TIP3 17460 32.226 1.656 42.955 1.00 0.00 WAT +ATOM 58691 OH2 TIP3 17461 32.516 -3.155 36.995 1.00 0.00 WAT +ATOM 58692 H1 TIP3 17461 31.578 -3.198 36.744 1.00 0.00 WAT +ATOM 58693 H2 TIP3 17461 32.917 -2.623 36.281 1.00 0.00 WAT +ATOM 58694 OH2 TIP3 17462 34.174 11.130 42.657 1.00 0.00 WAT +ATOM 58695 H1 TIP3 17462 34.517 11.139 43.572 1.00 0.00 WAT +ATOM 58696 H2 TIP3 17462 35.001 10.925 42.176 1.00 0.00 WAT +ATOM 58697 OH2 TIP3 17463 36.350 10.139 41.277 1.00 0.00 WAT +ATOM 58698 H1 TIP3 17463 36.295 9.187 41.415 1.00 0.00 WAT +ATOM 58699 H2 TIP3 17463 37.277 10.342 41.527 1.00 0.00 WAT +ATOM 58700 OH2 TIP3 17464 39.020 10.633 42.091 1.00 0.00 WAT +ATOM 58701 H1 TIP3 17464 39.505 9.803 41.959 1.00 0.00 WAT +ATOM 58702 H2 TIP3 17464 39.115 10.729 43.047 1.00 0.00 WAT +ATOM 58703 OH2 TIP3 17465 42.677 -3.619 41.321 1.00 0.00 WAT +ATOM 58704 H1 TIP3 17465 41.924 -4.170 41.611 1.00 0.00 WAT +ATOM 58705 H2 TIP3 17465 42.940 -4.092 40.523 1.00 0.00 WAT +ATOM 58706 OH2 TIP3 17466 35.030 -5.115 38.829 1.00 0.00 WAT +ATOM 58707 H1 TIP3 17466 34.150 -5.269 38.432 1.00 0.00 WAT +ATOM 58708 H2 TIP3 17466 35.459 -5.972 38.681 1.00 0.00 WAT +ATOM 58709 OH2 TIP3 17467 33.483 -5.165 34.693 1.00 0.00 WAT +ATOM 58710 H1 TIP3 17467 34.120 -4.558 34.280 1.00 0.00 WAT +ATOM 58711 H2 TIP3 17467 33.247 -4.704 35.512 1.00 0.00 WAT +ATOM 58712 OH2 TIP3 17468 39.296 -4.625 38.866 1.00 0.00 WAT +ATOM 58713 H1 TIP3 17468 40.259 -4.701 38.759 1.00 0.00 WAT +ATOM 58714 H2 TIP3 17468 39.128 -5.299 39.533 1.00 0.00 WAT +ATOM 58715 OH2 TIP3 17469 33.830 10.742 35.919 1.00 0.00 WAT +ATOM 58716 H1 TIP3 17469 33.160 10.617 35.229 1.00 0.00 WAT +ATOM 58717 H2 TIP3 17469 33.762 11.699 36.046 1.00 0.00 WAT +ATOM 58718 OH2 TIP3 17470 35.353 -3.332 33.166 1.00 0.00 WAT +ATOM 58719 H1 TIP3 17470 35.912 -3.985 32.714 1.00 0.00 WAT +ATOM 58720 H2 TIP3 17470 35.947 -3.047 33.888 1.00 0.00 WAT +ATOM 58721 OH2 TIP3 17471 40.840 -3.191 35.762 1.00 0.00 WAT +ATOM 58722 H1 TIP3 17471 40.578 -3.887 36.383 1.00 0.00 WAT +ATOM 58723 H2 TIP3 17471 40.534 -2.389 36.214 1.00 0.00 WAT +ATOM 58724 OH2 TIP3 17472 42.630 12.386 34.027 1.00 0.00 WAT +ATOM 58725 H1 TIP3 17472 43.509 12.766 33.852 1.00 0.00 WAT +ATOM 58726 H2 TIP3 17472 42.493 11.804 33.259 1.00 0.00 WAT +ATOM 58727 OH2 TIP3 17473 35.252 11.720 32.719 1.00 0.00 WAT +ATOM 58728 H1 TIP3 17473 34.964 11.965 33.612 1.00 0.00 WAT +ATOM 58729 H2 TIP3 17473 36.001 11.127 32.895 1.00 0.00 WAT +ATOM 58730 OH2 TIP3 17474 -31.731 22.871 39.283 1.00 0.00 WAT +ATOM 58731 H1 TIP3 17474 -31.608 23.835 39.308 1.00 0.00 WAT +ATOM 58732 H2 TIP3 17474 -32.362 22.781 38.556 1.00 0.00 WAT +ATOM 58733 OH2 TIP3 17475 -32.715 22.273 42.473 1.00 0.00 WAT +ATOM 58734 H1 TIP3 17475 -32.758 21.502 43.061 1.00 0.00 WAT +ATOM 58735 H2 TIP3 17475 -32.789 21.875 41.594 1.00 0.00 WAT +ATOM 58736 OH2 TIP3 17476 -29.177 25.043 40.388 1.00 0.00 WAT +ATOM 58737 H1 TIP3 17476 -29.542 24.361 40.973 1.00 0.00 WAT +ATOM 58738 H2 TIP3 17476 -28.804 25.633 41.080 1.00 0.00 WAT +ATOM 58739 OH2 TIP3 17477 -39.528 26.521 42.475 1.00 0.00 WAT +ATOM 58740 H1 TIP3 17477 -39.883 25.648 42.254 1.00 0.00 WAT +ATOM 58741 H2 TIP3 17477 -38.574 26.310 42.492 1.00 0.00 WAT +ATOM 58742 OH2 TIP3 17478 -42.231 20.271 36.469 1.00 0.00 WAT +ATOM 58743 H1 TIP3 17478 -42.385 21.057 37.017 1.00 0.00 WAT +ATOM 58744 H2 TIP3 17478 -43.062 19.798 36.607 1.00 0.00 WAT +ATOM 58745 OH2 TIP3 17479 -41.940 22.073 39.325 1.00 0.00 WAT +ATOM 58746 H1 TIP3 17479 -41.941 21.802 40.253 1.00 0.00 WAT +ATOM 58747 H2 TIP3 17479 -41.204 22.696 39.323 1.00 0.00 WAT +ATOM 58748 OH2 TIP3 17480 -32.082 30.440 41.120 1.00 0.00 WAT +ATOM 58749 H1 TIP3 17480 -31.456 29.752 40.837 1.00 0.00 WAT +ATOM 58750 H2 TIP3 17480 -32.363 30.139 41.999 1.00 0.00 WAT +ATOM 58751 OH2 TIP3 17481 -34.665 24.544 42.803 1.00 0.00 WAT +ATOM 58752 H1 TIP3 17481 -34.225 23.892 42.234 1.00 0.00 WAT +ATOM 58753 H2 TIP3 17481 -33.859 24.927 43.209 1.00 0.00 WAT +ATOM 58754 OH2 TIP3 17482 -31.205 19.280 43.230 1.00 0.00 WAT +ATOM 58755 H1 TIP3 17482 -30.739 18.445 43.389 1.00 0.00 WAT +ATOM 58756 H2 TIP3 17482 -31.097 19.399 42.267 1.00 0.00 WAT +ATOM 58757 OH2 TIP3 17483 -38.076 17.175 40.416 1.00 0.00 WAT +ATOM 58758 H1 TIP3 17483 -37.885 18.023 39.975 1.00 0.00 WAT +ATOM 58759 H2 TIP3 17483 -38.405 16.652 39.661 1.00 0.00 WAT +ATOM 58760 OH2 TIP3 17484 -30.183 17.375 38.715 1.00 0.00 WAT +ATOM 58761 H1 TIP3 17484 -29.626 16.931 39.395 1.00 0.00 WAT +ATOM 58762 H2 TIP3 17484 -29.493 17.793 38.174 1.00 0.00 WAT +ATOM 58763 OH2 TIP3 17485 -41.215 19.803 41.089 1.00 0.00 WAT +ATOM 58764 H1 TIP3 17485 -40.728 19.219 41.675 1.00 0.00 WAT +ATOM 58765 H2 TIP3 17485 -41.070 19.373 40.229 1.00 0.00 WAT +ATOM 58766 OH2 TIP3 17486 -36.018 21.258 40.545 1.00 0.00 WAT +ATOM 58767 H1 TIP3 17486 -35.263 20.711 40.828 1.00 0.00 WAT +ATOM 58768 H2 TIP3 17486 -36.465 20.657 39.920 1.00 0.00 WAT +ATOM 58769 OH2 TIP3 17487 -31.743 25.726 37.943 1.00 0.00 WAT +ATOM 58770 H1 TIP3 17487 -32.008 25.539 37.040 1.00 0.00 WAT +ATOM 58771 H2 TIP3 17487 -32.152 26.593 38.113 1.00 0.00 WAT +ATOM 58772 OH2 TIP3 17488 -28.383 16.575 40.733 1.00 0.00 WAT +ATOM 58773 H1 TIP3 17488 -28.558 15.908 41.414 1.00 0.00 WAT +ATOM 58774 H2 TIP3 17488 -27.842 17.192 41.259 1.00 0.00 WAT +ATOM 58775 OH2 TIP3 17489 -38.768 18.097 42.974 1.00 0.00 WAT +ATOM 58776 H1 TIP3 17489 -38.985 19.018 42.793 1.00 0.00 WAT +ATOM 58777 H2 TIP3 17489 -38.856 17.662 42.104 1.00 0.00 WAT +ATOM 58778 OH2 TIP3 17490 -41.832 25.344 36.304 1.00 0.00 WAT +ATOM 58779 H1 TIP3 17490 -42.634 25.557 35.788 1.00 0.00 WAT +ATOM 58780 H2 TIP3 17490 -41.874 25.992 37.033 1.00 0.00 WAT +ATOM 58781 OH2 TIP3 17491 -28.406 26.355 42.586 1.00 0.00 WAT +ATOM 58782 H1 TIP3 17491 -29.036 26.237 43.324 1.00 0.00 WAT +ATOM 58783 H2 TIP3 17491 -27.721 26.886 42.998 1.00 0.00 WAT +ATOM 58784 OH2 TIP3 17492 -35.098 13.549 41.780 1.00 0.00 WAT +ATOM 58785 H1 TIP3 17492 -35.146 12.578 41.820 1.00 0.00 WAT +ATOM 58786 H2 TIP3 17492 -35.932 13.800 42.223 1.00 0.00 WAT +ATOM 58787 OH2 TIP3 17493 -30.192 28.844 39.646 1.00 0.00 WAT +ATOM 58788 H1 TIP3 17493 -29.732 28.036 39.340 1.00 0.00 WAT +ATOM 58789 H2 TIP3 17493 -29.524 29.527 39.451 1.00 0.00 WAT +ATOM 58790 OH2 TIP3 17494 -28.775 26.726 38.224 1.00 0.00 WAT +ATOM 58791 H1 TIP3 17494 -29.225 26.210 37.542 1.00 0.00 WAT +ATOM 58792 H2 TIP3 17494 -28.801 26.087 38.968 1.00 0.00 WAT +ATOM 58793 OH2 TIP3 17495 -32.971 22.410 36.413 1.00 0.00 WAT +ATOM 58794 H1 TIP3 17495 -33.605 23.040 36.023 1.00 0.00 WAT +ATOM 58795 H2 TIP3 17495 -32.220 22.472 35.796 1.00 0.00 WAT +ATOM 58796 OH2 TIP3 17496 -32.672 20.623 33.432 1.00 0.00 WAT +ATOM 58797 H1 TIP3 17496 -32.017 20.930 34.088 1.00 0.00 WAT +ATOM 58798 H2 TIP3 17496 -32.114 20.047 32.889 1.00 0.00 WAT +ATOM 58799 OH2 TIP3 17497 -29.506 22.431 37.484 1.00 0.00 WAT +ATOM 58800 H1 TIP3 17497 -30.096 22.630 38.236 1.00 0.00 WAT +ATOM 58801 H2 TIP3 17497 -28.816 21.896 37.935 1.00 0.00 WAT +ATOM 58802 OH2 TIP3 17498 -37.768 23.247 39.222 1.00 0.00 WAT +ATOM 58803 H1 TIP3 17498 -38.168 22.780 38.466 1.00 0.00 WAT +ATOM 58804 H2 TIP3 17498 -37.218 22.557 39.627 1.00 0.00 WAT +ATOM 58805 OH2 TIP3 17499 -36.835 26.312 41.589 1.00 0.00 WAT +ATOM 58806 H1 TIP3 17499 -36.586 25.990 40.713 1.00 0.00 WAT +ATOM 58807 H2 TIP3 17499 -35.988 26.351 42.054 1.00 0.00 WAT +ATOM 58808 OH2 TIP3 17500 -37.678 21.953 42.698 1.00 0.00 WAT +ATOM 58809 H1 TIP3 17500 -36.977 21.912 42.021 1.00 0.00 WAT +ATOM 58810 H2 TIP3 17500 -37.241 22.412 43.426 1.00 0.00 WAT +ATOM 58811 OH2 TIP3 17501 -30.533 21.957 34.921 1.00 0.00 WAT +ATOM 58812 H1 TIP3 17501 -30.034 22.148 35.745 1.00 0.00 WAT +ATOM 58813 H2 TIP3 17501 -29.990 22.448 34.258 1.00 0.00 WAT +ATOM 58814 OH2 TIP3 17502 -33.026 28.479 38.510 1.00 0.00 WAT +ATOM 58815 H1 TIP3 17502 -32.561 28.785 39.297 1.00 0.00 WAT +ATOM 58816 H2 TIP3 17502 -33.534 29.261 38.246 1.00 0.00 WAT +ATOM 58817 OH2 TIP3 17503 -27.066 13.579 34.430 1.00 0.00 WAT +ATOM 58818 H1 TIP3 17503 -27.905 13.724 34.904 1.00 0.00 WAT +ATOM 58819 H2 TIP3 17503 -26.686 14.475 34.422 1.00 0.00 WAT +ATOM 58820 OH2 TIP3 17504 -38.893 21.912 36.745 1.00 0.00 WAT +ATOM 58821 H1 TIP3 17504 -39.158 22.705 36.250 1.00 0.00 WAT +ATOM 58822 H2 TIP3 17504 -39.626 21.308 36.563 1.00 0.00 WAT +ATOM 58823 OH2 TIP3 17505 -25.665 27.758 32.933 1.00 0.00 WAT +ATOM 58824 H1 TIP3 17505 -25.505 28.679 33.220 1.00 0.00 WAT +ATOM 58825 H2 TIP3 17505 -24.810 27.335 33.154 1.00 0.00 WAT +ATOM 58826 OH2 TIP3 17506 -42.921 27.496 42.163 1.00 0.00 WAT +ATOM 58827 H1 TIP3 17506 -42.076 27.114 42.433 1.00 0.00 WAT +ATOM 58828 H2 TIP3 17506 -43.054 28.112 42.894 1.00 0.00 WAT +ATOM 58829 OH2 TIP3 17507 -33.467 31.182 36.982 1.00 0.00 WAT +ATOM 58830 H1 TIP3 17507 -33.479 31.327 36.022 1.00 0.00 WAT +ATOM 58831 H2 TIP3 17507 -33.473 32.087 37.337 1.00 0.00 WAT +ATOM 58832 OH2 TIP3 17508 -39.769 30.285 38.610 1.00 0.00 WAT +ATOM 58833 H1 TIP3 17508 -39.502 29.908 39.476 1.00 0.00 WAT +ATOM 58834 H2 TIP3 17508 -40.585 29.786 38.462 1.00 0.00 WAT +ATOM 58835 OH2 TIP3 17509 -30.211 30.593 34.153 1.00 0.00 WAT +ATOM 58836 H1 TIP3 17509 -29.616 29.943 33.734 1.00 0.00 WAT +ATOM 58837 H2 TIP3 17509 -30.253 30.250 35.070 1.00 0.00 WAT +ATOM 58838 OH2 TIP3 17510 -30.793 30.037 36.966 1.00 0.00 WAT +ATOM 58839 H1 TIP3 17510 -31.740 30.195 37.140 1.00 0.00 WAT +ATOM 58840 H2 TIP3 17510 -30.625 29.318 37.600 1.00 0.00 WAT +ATOM 58841 OH2 TIP3 17511 -37.533 14.445 42.914 1.00 0.00 WAT +ATOM 58842 H1 TIP3 17511 -38.366 14.301 42.425 1.00 0.00 WAT +ATOM 58843 H2 TIP3 17511 -37.521 15.407 43.051 1.00 0.00 WAT +ATOM 58844 OH2 TIP3 17512 -28.959 23.033 32.911 1.00 0.00 WAT +ATOM 58845 H1 TIP3 17512 -29.071 22.744 31.989 1.00 0.00 WAT +ATOM 58846 H2 TIP3 17512 -27.993 23.130 32.973 1.00 0.00 WAT +ATOM 58847 OH2 TIP3 17513 -33.387 16.803 33.371 1.00 0.00 WAT +ATOM 58848 H1 TIP3 17513 -33.774 16.639 34.243 1.00 0.00 WAT +ATOM 58849 H2 TIP3 17513 -33.693 16.023 32.879 1.00 0.00 WAT +ATOM 58850 OH2 TIP3 17514 -37.673 19.491 38.838 1.00 0.00 WAT +ATOM 58851 H1 TIP3 17514 -38.630 19.449 38.661 1.00 0.00 WAT +ATOM 58852 H2 TIP3 17514 -37.319 19.298 37.950 1.00 0.00 WAT +ATOM 58853 OH2 TIP3 17515 -32.094 20.056 37.625 1.00 0.00 WAT +ATOM 58854 H1 TIP3 17515 -32.485 20.884 37.272 1.00 0.00 WAT +ATOM 58855 H2 TIP3 17515 -31.367 19.911 36.995 1.00 0.00 WAT +ATOM 58856 OH2 TIP3 17516 -31.290 19.468 40.433 1.00 0.00 WAT +ATOM 58857 H1 TIP3 17516 -31.542 20.035 39.677 1.00 0.00 WAT +ATOM 58858 H2 TIP3 17516 -31.045 18.656 39.942 1.00 0.00 WAT +ATOM 58859 OH2 TIP3 17517 -36.991 17.147 32.290 1.00 0.00 WAT +ATOM 58860 H1 TIP3 17517 -37.113 16.828 33.211 1.00 0.00 WAT +ATOM 58861 H2 TIP3 17517 -37.906 17.193 32.001 1.00 0.00 WAT +ATOM 58862 OH2 TIP3 17518 -43.205 17.182 39.382 1.00 0.00 WAT +ATOM 58863 H1 TIP3 17518 -42.971 17.012 40.313 1.00 0.00 WAT +ATOM 58864 H2 TIP3 17518 -42.767 16.451 38.941 1.00 0.00 WAT +ATOM 58865 OH2 TIP3 17519 -42.071 17.547 35.228 1.00 0.00 WAT +ATOM 58866 H1 TIP3 17519 -41.456 17.897 34.566 1.00 0.00 WAT +ATOM 58867 H2 TIP3 17519 -42.876 18.044 35.052 1.00 0.00 WAT +ATOM 58868 OH2 TIP3 17520 -34.993 17.133 39.839 1.00 0.00 WAT +ATOM 58869 H1 TIP3 17520 -35.912 17.011 40.127 1.00 0.00 WAT +ATOM 58870 H2 TIP3 17520 -34.500 16.865 40.633 1.00 0.00 WAT +ATOM 58871 OH2 TIP3 17521 -40.395 18.358 38.463 1.00 0.00 WAT +ATOM 58872 H1 TIP3 17521 -41.177 18.465 37.906 1.00 0.00 WAT +ATOM 58873 H2 TIP3 17521 -40.025 17.519 38.128 1.00 0.00 WAT +ATOM 58874 OH2 TIP3 17522 -36.717 18.615 36.157 1.00 0.00 WAT +ATOM 58875 H1 TIP3 17522 -35.753 18.682 36.297 1.00 0.00 WAT +ATOM 58876 H2 TIP3 17522 -36.908 19.322 35.521 1.00 0.00 WAT +ATOM 58877 OH2 TIP3 17523 -30.552 15.759 42.806 1.00 0.00 WAT +ATOM 58878 H1 TIP3 17523 -30.925 16.086 43.637 1.00 0.00 WAT +ATOM 58879 H2 TIP3 17523 -31.292 15.821 42.185 1.00 0.00 WAT +ATOM 58880 OH2 TIP3 17524 -38.287 19.932 33.909 1.00 0.00 WAT +ATOM 58881 H1 TIP3 17524 -38.831 19.528 33.220 1.00 0.00 WAT +ATOM 58882 H2 TIP3 17524 -37.442 20.092 33.454 1.00 0.00 WAT +ATOM 58883 OH2 TIP3 17525 -34.022 19.493 41.900 1.00 0.00 WAT +ATOM 58884 H1 TIP3 17525 -33.283 19.198 41.344 1.00 0.00 WAT +ATOM 58885 H2 TIP3 17525 -33.964 18.867 42.636 1.00 0.00 WAT +ATOM 58886 OH2 TIP3 17526 -38.726 16.007 37.895 1.00 0.00 WAT +ATOM 58887 H1 TIP3 17526 -39.147 15.143 37.999 1.00 0.00 WAT +ATOM 58888 H2 TIP3 17526 -37.875 15.766 37.500 1.00 0.00 WAT +ATOM 58889 OH2 TIP3 17527 -34.784 24.483 35.820 1.00 0.00 WAT +ATOM 58890 H1 TIP3 17527 -35.552 23.979 35.480 1.00 0.00 WAT +ATOM 58891 H2 TIP3 17527 -34.960 24.518 36.787 1.00 0.00 WAT +ATOM 58892 OH2 TIP3 17528 -30.629 17.289 33.556 1.00 0.00 WAT +ATOM 58893 H1 TIP3 17528 -31.609 17.318 33.546 1.00 0.00 WAT +ATOM 58894 H2 TIP3 17528 -30.388 18.010 34.176 1.00 0.00 WAT +ATOM 58895 OH2 TIP3 17529 -29.994 19.157 35.573 1.00 0.00 WAT +ATOM 58896 H1 TIP3 17529 -29.138 18.967 36.011 1.00 0.00 WAT +ATOM 58897 H2 TIP3 17529 -29.812 20.024 35.169 1.00 0.00 WAT +ATOM 58898 OH2 TIP3 17530 -39.722 23.384 41.502 1.00 0.00 WAT +ATOM 58899 H1 TIP3 17530 -39.041 23.671 40.873 1.00 0.00 WAT +ATOM 58900 H2 TIP3 17530 -39.181 22.835 42.102 1.00 0.00 WAT +ATOM 58901 OH2 TIP3 17531 -32.392 25.844 34.713 1.00 0.00 WAT +ATOM 58902 H1 TIP3 17531 -32.641 26.701 35.117 1.00 0.00 WAT +ATOM 58903 H2 TIP3 17531 -33.127 25.283 35.020 1.00 0.00 WAT +ATOM 58904 OH2 TIP3 17532 -27.182 27.716 35.443 1.00 0.00 WAT +ATOM 58905 H1 TIP3 17532 -27.399 26.971 36.025 1.00 0.00 WAT +ATOM 58906 H2 TIP3 17532 -26.566 27.317 34.816 1.00 0.00 WAT +ATOM 58907 OH2 TIP3 17533 -30.027 23.235 42.479 1.00 0.00 WAT +ATOM 58908 H1 TIP3 17533 -30.920 22.907 42.683 1.00 0.00 WAT +ATOM 58909 H2 TIP3 17533 -29.636 22.472 42.009 1.00 0.00 WAT +ATOM 58910 OH2 TIP3 17534 -37.254 27.128 38.706 1.00 0.00 WAT +ATOM 58911 H1 TIP3 17534 -36.860 28.013 38.761 1.00 0.00 WAT +ATOM 58912 H2 TIP3 17534 -38.197 27.341 38.693 1.00 0.00 WAT +ATOM 58913 OH2 TIP3 17535 -41.514 22.114 33.597 1.00 0.00 WAT +ATOM 58914 H1 TIP3 17535 -40.804 22.667 33.980 1.00 0.00 WAT +ATOM 58915 H2 TIP3 17535 -42.281 22.679 33.764 1.00 0.00 WAT +ATOM 58916 OH2 TIP3 17536 -35.438 24.848 38.584 1.00 0.00 WAT +ATOM 58917 H1 TIP3 17536 -35.773 25.760 38.609 1.00 0.00 WAT +ATOM 58918 H2 TIP3 17536 -36.206 24.352 38.917 1.00 0.00 WAT +ATOM 58919 OH2 TIP3 17537 -36.808 30.074 38.086 1.00 0.00 WAT +ATOM 58920 H1 TIP3 17537 -37.762 30.191 38.212 1.00 0.00 WAT +ATOM 58921 H2 TIP3 17537 -36.466 30.938 38.392 1.00 0.00 WAT +ATOM 58922 OH2 TIP3 17538 -29.715 26.167 33.370 1.00 0.00 WAT +ATOM 58923 H1 TIP3 17538 -29.255 25.710 34.099 1.00 0.00 WAT +ATOM 58924 H2 TIP3 17538 -30.631 26.003 33.654 1.00 0.00 WAT +ATOM 58925 OH2 TIP3 17539 -24.950 30.413 33.895 1.00 0.00 WAT +ATOM 58926 H1 TIP3 17539 -24.252 31.057 33.689 1.00 0.00 WAT +ATOM 58927 H2 TIP3 17539 -25.716 31.016 33.914 1.00 0.00 WAT +ATOM 58928 OH2 TIP3 17540 -28.703 24.794 35.752 1.00 0.00 WAT +ATOM 58929 H1 TIP3 17540 -28.983 24.050 36.315 1.00 0.00 WAT +ATOM 58930 H2 TIP3 17540 -27.733 24.726 35.820 1.00 0.00 WAT +ATOM 58931 OH2 TIP3 17541 -35.447 27.183 31.914 1.00 0.00 WAT +ATOM 58932 H1 TIP3 17541 -35.133 26.377 31.466 1.00 0.00 WAT +ATOM 58933 H2 TIP3 17541 -35.861 26.813 32.714 1.00 0.00 WAT +ATOM 58934 OH2 TIP3 17542 -36.602 26.719 34.633 1.00 0.00 WAT +ATOM 58935 H1 TIP3 17542 -36.116 26.200 35.291 1.00 0.00 WAT +ATOM 58936 H2 TIP3 17542 -36.480 27.633 34.971 1.00 0.00 WAT +ATOM 58937 OH2 TIP3 17543 -39.862 24.131 34.990 1.00 0.00 WAT +ATOM 58938 H1 TIP3 17543 -40.565 24.535 35.555 1.00 0.00 WAT +ATOM 58939 H2 TIP3 17543 -39.366 24.936 34.769 1.00 0.00 WAT +ATOM 58940 OH2 TIP3 17544 -31.478 16.105 36.302 1.00 0.00 WAT +ATOM 58941 H1 TIP3 17544 -31.211 16.643 35.541 1.00 0.00 WAT +ATOM 58942 H2 TIP3 17544 -31.012 16.553 37.030 1.00 0.00 WAT +ATOM 58943 OH2 TIP3 17545 -33.673 28.315 35.261 1.00 0.00 WAT +ATOM 58944 H1 TIP3 17545 -34.465 28.831 35.487 1.00 0.00 WAT +ATOM 58945 H2 TIP3 17545 -33.285 28.849 34.557 1.00 0.00 WAT +ATOM 58946 OH2 TIP3 17546 -34.096 18.085 37.255 1.00 0.00 WAT +ATOM 58947 H1 TIP3 17546 -33.309 18.654 37.396 1.00 0.00 WAT +ATOM 58948 H2 TIP3 17546 -34.349 17.877 38.176 1.00 0.00 WAT +ATOM 58949 OH2 TIP3 17547 -33.498 15.077 38.173 1.00 0.00 WAT +ATOM 58950 H1 TIP3 17547 -33.609 15.692 38.919 1.00 0.00 WAT +ATOM 58951 H2 TIP3 17547 -32.722 15.470 37.726 1.00 0.00 WAT +ATOM 58952 OH2 TIP3 17548 -36.466 29.420 35.271 1.00 0.00 WAT +ATOM 58953 H1 TIP3 17548 -36.516 30.247 34.747 1.00 0.00 WAT +ATOM 58954 H2 TIP3 17548 -36.593 29.749 36.182 1.00 0.00 WAT +ATOM 58955 OH2 TIP3 17549 -37.707 16.122 34.771 1.00 0.00 WAT +ATOM 58956 H1 TIP3 17549 -37.647 16.887 35.373 1.00 0.00 WAT +ATOM 58957 H2 TIP3 17549 -36.924 15.607 35.055 1.00 0.00 WAT +ATOM 58958 OH2 TIP3 17550 -28.977 20.853 41.474 1.00 0.00 WAT +ATOM 58959 H1 TIP3 17550 -29.715 20.389 41.045 1.00 0.00 WAT +ATOM 58960 H2 TIP3 17550 -28.394 20.100 41.725 1.00 0.00 WAT +ATOM 58961 OH2 TIP3 17551 -39.302 26.995 33.814 1.00 0.00 WAT +ATOM 58962 H1 TIP3 17551 -38.546 27.431 34.238 1.00 0.00 WAT +ATOM 58963 H2 TIP3 17551 -38.835 26.437 33.177 1.00 0.00 WAT +ATOM 58964 OH2 TIP3 17552 -41.015 19.168 32.770 1.00 0.00 WAT +ATOM 58965 H1 TIP3 17552 -41.007 20.052 33.176 1.00 0.00 WAT +ATOM 58966 H2 TIP3 17552 -41.945 18.993 32.618 1.00 0.00 WAT +ATOM 58967 OH2 TIP3 17553 -27.638 30.661 43.154 1.00 0.00 WAT +ATOM 58968 H1 TIP3 17553 -28.281 30.494 42.458 1.00 0.00 WAT +ATOM 58969 H2 TIP3 17553 -26.821 30.260 42.840 1.00 0.00 WAT +ATOM 58970 OH2 TIP3 17554 -40.234 14.016 41.679 1.00 0.00 WAT +ATOM 58971 H1 TIP3 17554 -40.589 14.076 40.774 1.00 0.00 WAT +ATOM 58972 H2 TIP3 17554 -40.733 13.275 42.054 1.00 0.00 WAT +ATOM 58973 OH2 TIP3 17555 -41.390 27.696 37.950 1.00 0.00 WAT +ATOM 58974 H1 TIP3 17555 -42.274 28.084 38.041 1.00 0.00 WAT +ATOM 58975 H2 TIP3 17555 -41.030 28.175 37.194 1.00 0.00 WAT +ATOM 58976 OH2 TIP3 17556 -33.229 28.921 32.395 1.00 0.00 WAT +ATOM 58977 H1 TIP3 17556 -33.989 28.302 32.355 1.00 0.00 WAT +ATOM 58978 H2 TIP3 17556 -32.521 28.338 32.084 1.00 0.00 WAT +ATOM 58979 OH2 TIP3 17557 -28.600 28.798 32.513 1.00 0.00 WAT +ATOM 58980 H1 TIP3 17557 -28.459 28.019 33.079 1.00 0.00 WAT +ATOM 58981 H2 TIP3 17557 -27.767 28.831 32.014 1.00 0.00 WAT +ATOM 58982 OH2 TIP3 17558 -37.810 24.615 32.274 1.00 0.00 WAT +ATOM 58983 H1 TIP3 17558 -37.618 24.059 33.049 1.00 0.00 WAT +ATOM 58984 H2 TIP3 17558 -36.949 24.607 31.821 1.00 0.00 WAT +ATOM 58985 OH2 TIP3 17559 -32.567 25.966 31.874 1.00 0.00 WAT +ATOM 58986 H1 TIP3 17559 -32.587 25.932 32.849 1.00 0.00 WAT +ATOM 58987 H2 TIP3 17559 -32.619 25.007 31.674 1.00 0.00 WAT +ATOM 58988 OH2 TIP3 17560 -36.740 22.732 34.590 1.00 0.00 WAT +ATOM 58989 H1 TIP3 17560 -37.340 22.241 35.173 1.00 0.00 WAT +ATOM 58990 H2 TIP3 17560 -36.434 22.030 33.984 1.00 0.00 WAT +ATOM 58991 OH2 TIP3 17561 -35.761 20.702 32.834 1.00 0.00 WAT +ATOM 58992 H1 TIP3 17561 -35.756 20.854 31.871 1.00 0.00 WAT +ATOM 58993 H2 TIP3 17561 -34.804 20.682 33.031 1.00 0.00 WAT +ATOM 58994 OH2 TIP3 17562 -26.162 23.267 32.188 1.00 0.00 WAT +ATOM 58995 H1 TIP3 17562 -26.309 22.806 31.351 1.00 0.00 WAT +ATOM 58996 H2 TIP3 17562 -26.330 24.198 31.940 1.00 0.00 WAT +ATOM 58997 OH2 TIP3 17563 -35.993 31.960 33.959 1.00 0.00 WAT +ATOM 58998 H1 TIP3 17563 -35.045 32.095 34.095 1.00 0.00 WAT +ATOM 58999 H2 TIP3 17563 -36.125 32.430 33.126 1.00 0.00 WAT +ATOM 59000 OH2 TIP3 17564 -41.973 26.894 33.053 1.00 0.00 WAT +ATOM 59001 H1 TIP3 17564 -41.204 26.798 33.647 1.00 0.00 WAT +ATOM 59002 H2 TIP3 17564 -42.204 25.977 32.845 1.00 0.00 WAT +ATOM 59003 OH2 TIP3 17565 -42.751 29.638 40.171 1.00 0.00 WAT +ATOM 59004 H1 TIP3 17565 -42.746 28.743 40.558 1.00 0.00 WAT +ATOM 59005 H2 TIP3 17565 -42.438 30.115 40.962 1.00 0.00 WAT +ATOM 59006 OH2 TIP3 17566 -24.884 31.024 42.719 1.00 0.00 WAT +ATOM 59007 H1 TIP3 17566 -25.123 30.869 43.650 1.00 0.00 WAT +ATOM 59008 H2 TIP3 17566 -23.918 30.951 42.774 1.00 0.00 WAT +ATOM 59009 OH2 TIP3 17567 -25.859 24.685 36.154 1.00 0.00 WAT +ATOM 59010 H1 TIP3 17567 -24.937 24.898 36.377 1.00 0.00 WAT +ATOM 59011 H2 TIP3 17567 -25.998 23.948 36.780 1.00 0.00 WAT +ATOM 59012 OH2 TIP3 17568 -25.431 22.780 38.253 1.00 0.00 WAT +ATOM 59013 H1 TIP3 17568 -25.870 21.916 38.289 1.00 0.00 WAT +ATOM 59014 H2 TIP3 17568 -24.644 22.622 38.806 1.00 0.00 WAT +ATOM 59015 OH2 TIP3 17569 -25.644 24.918 43.313 1.00 0.00 WAT +ATOM 59016 H1 TIP3 17569 -25.077 24.368 42.757 1.00 0.00 WAT +ATOM 59017 H2 TIP3 17569 -25.612 25.774 42.868 1.00 0.00 WAT +ATOM 59018 OH2 TIP3 17570 -25.628 21.931 34.689 1.00 0.00 WAT +ATOM 59019 H1 TIP3 17570 -25.683 22.433 33.864 1.00 0.00 WAT +ATOM 59020 H2 TIP3 17570 -25.163 22.492 35.313 1.00 0.00 WAT +ATOM 59021 OH2 TIP3 17571 -27.143 19.610 32.896 1.00 0.00 WAT +ATOM 59022 H1 TIP3 17571 -26.427 20.122 32.511 1.00 0.00 WAT +ATOM 59023 H2 TIP3 17571 -26.931 18.696 32.655 1.00 0.00 WAT +ATOM 59024 OH2 TIP3 17572 -27.744 20.701 38.862 1.00 0.00 WAT +ATOM 59025 H1 TIP3 17572 -27.526 19.762 38.750 1.00 0.00 WAT +ATOM 59026 H2 TIP3 17572 -27.851 20.796 39.820 1.00 0.00 WAT +ATOM 59027 OH2 TIP3 17573 -42.168 23.522 43.174 1.00 0.00 WAT +ATOM 59028 H1 TIP3 17573 -42.671 23.258 42.385 1.00 0.00 WAT +ATOM 59029 H2 TIP3 17573 -41.409 22.928 43.132 1.00 0.00 WAT +ATOM 59030 OH2 TIP3 17574 -27.353 16.860 32.056 1.00 0.00 WAT +ATOM 59031 H1 TIP3 17574 -26.770 16.473 32.740 1.00 0.00 WAT +ATOM 59032 H2 TIP3 17574 -28.197 16.416 32.200 1.00 0.00 WAT +ATOM 59033 OH2 TIP3 17575 -27.685 18.230 37.102 1.00 0.00 WAT +ATOM 59034 H1 TIP3 17575 -27.312 17.327 37.127 1.00 0.00 WAT +ATOM 59035 H2 TIP3 17575 -26.876 18.737 36.888 1.00 0.00 WAT +ATOM 59036 OH2 TIP3 17576 -27.397 18.841 42.203 1.00 0.00 WAT +ATOM 59037 H1 TIP3 17576 -26.435 18.841 42.330 1.00 0.00 WAT +ATOM 59038 H2 TIP3 17576 -27.730 18.787 43.115 1.00 0.00 WAT +ATOM 59039 OH2 TIP3 17577 -27.092 15.385 37.061 1.00 0.00 WAT +ATOM 59040 H1 TIP3 17577 -26.992 15.089 37.983 1.00 0.00 WAT +ATOM 59041 H2 TIP3 17577 -27.912 14.927 36.795 1.00 0.00 WAT +ATOM 59042 OH2 TIP3 17578 -41.684 16.906 41.936 1.00 0.00 WAT +ATOM 59043 H1 TIP3 17578 -41.696 15.950 42.097 1.00 0.00 WAT +ATOM 59044 H2 TIP3 17578 -41.113 17.194 42.657 1.00 0.00 WAT +ATOM 59045 OH2 TIP3 17579 -43.433 19.446 43.180 1.00 0.00 WAT +ATOM 59046 H1 TIP3 17579 -43.071 18.988 42.406 1.00 0.00 WAT +ATOM 59047 H2 TIP3 17579 -43.003 20.307 43.109 1.00 0.00 WAT +ATOM 59048 OH2 TIP3 17580 -25.271 15.852 33.659 1.00 0.00 WAT +ATOM 59049 H1 TIP3 17580 -24.797 15.090 33.286 1.00 0.00 WAT +ATOM 59050 H2 TIP3 17580 -24.532 16.419 33.969 1.00 0.00 WAT +ATOM 59051 OH2 TIP3 17581 -43.156 15.420 36.479 1.00 0.00 WAT +ATOM 59052 H1 TIP3 17581 -44.006 15.730 36.133 1.00 0.00 WAT +ATOM 59053 H2 TIP3 17581 -42.565 16.133 36.140 1.00 0.00 WAT +ATOM 59054 OH2 TIP3 17582 -28.267 30.878 39.065 1.00 0.00 WAT +ATOM 59055 H1 TIP3 17582 -27.831 30.618 38.234 1.00 0.00 WAT +ATOM 59056 H2 TIP3 17582 -27.554 31.357 39.503 1.00 0.00 WAT +ATOM 59057 OH2 TIP3 17583 -41.545 29.969 42.645 1.00 0.00 WAT +ATOM 59058 H1 TIP3 17583 -41.353 30.025 43.594 1.00 0.00 WAT +ATOM 59059 H2 TIP3 17583 -40.637 30.003 42.307 1.00 0.00 WAT +ATOM 59060 OH2 TIP3 17584 -39.043 29.037 41.055 1.00 0.00 WAT +ATOM 59061 H1 TIP3 17584 -39.239 28.169 41.461 1.00 0.00 WAT +ATOM 59062 H2 TIP3 17584 -38.214 29.285 41.501 1.00 0.00 WAT +ATOM 59063 OH2 TIP3 17585 -36.329 29.557 42.114 1.00 0.00 WAT +ATOM 59064 H1 TIP3 17585 -36.081 28.663 41.847 1.00 0.00 WAT +ATOM 59065 H2 TIP3 17585 -36.268 29.495 43.075 1.00 0.00 WAT +ATOM 59066 OH2 TIP3 17586 -33.005 15.530 41.256 1.00 0.00 WAT +ATOM 59067 H1 TIP3 17586 -33.602 14.804 41.527 1.00 0.00 WAT +ATOM 59068 H2 TIP3 17586 -32.314 15.039 40.769 1.00 0.00 WAT +ATOM 59069 OH2 TIP3 17587 -28.009 13.552 41.573 1.00 0.00 WAT +ATOM 59070 H1 TIP3 17587 -27.260 13.987 41.126 1.00 0.00 WAT +ATOM 59071 H2 TIP3 17587 -28.774 13.888 41.086 1.00 0.00 WAT +ATOM 59072 OH2 TIP3 17588 -25.994 14.517 39.615 1.00 0.00 WAT +ATOM 59073 H1 TIP3 17588 -25.255 14.132 39.114 1.00 0.00 WAT +ATOM 59074 H2 TIP3 17588 -25.643 15.423 39.778 1.00 0.00 WAT +ATOM 59075 OH2 TIP3 17589 -41.079 14.026 38.848 1.00 0.00 WAT +ATOM 59076 H1 TIP3 17589 -41.798 13.710 38.289 1.00 0.00 WAT +ATOM 59077 H2 TIP3 17589 -40.444 13.291 38.769 1.00 0.00 WAT +ATOM 59078 OH2 TIP3 17590 -41.833 13.637 34.669 1.00 0.00 WAT +ATOM 59079 H1 TIP3 17590 -41.326 14.317 34.188 1.00 0.00 WAT +ATOM 59080 H2 TIP3 17590 -42.340 14.188 35.295 1.00 0.00 WAT +ATOM 59081 OH2 TIP3 17591 -36.139 13.946 38.917 1.00 0.00 WAT +ATOM 59082 H1 TIP3 17591 -35.246 14.273 38.711 1.00 0.00 WAT +ATOM 59083 H2 TIP3 17591 -36.073 13.816 39.874 1.00 0.00 WAT +ATOM 59084 OH2 TIP3 17592 -30.680 14.070 40.040 1.00 0.00 WAT +ATOM 59085 H1 TIP3 17592 -30.254 13.814 39.211 1.00 0.00 WAT +ATOM 59086 H2 TIP3 17592 -30.914 13.207 40.421 1.00 0.00 WAT +ATOM 59087 OH2 TIP3 17593 -29.459 14.024 36.167 1.00 0.00 WAT +ATOM 59088 H1 TIP3 17593 -30.281 14.524 36.018 1.00 0.00 WAT +ATOM 59089 H2 TIP3 17593 -29.800 13.124 36.306 1.00 0.00 WAT +ATOM 59090 OH2 TIP3 17594 -41.942 29.663 35.755 1.00 0.00 WAT +ATOM 59091 H1 TIP3 17594 -42.428 29.453 34.951 1.00 0.00 WAT +ATOM 59092 H2 TIP3 17594 -41.806 30.616 35.680 1.00 0.00 WAT +ATOM 59093 OH2 TIP3 17595 -40.028 15.580 33.187 1.00 0.00 WAT +ATOM 59094 H1 TIP3 17595 -39.491 14.918 32.721 1.00 0.00 WAT +ATOM 59095 H2 TIP3 17595 -39.428 15.819 33.922 1.00 0.00 WAT +ATOM 59096 OH2 TIP3 17596 -35.015 15.662 35.838 1.00 0.00 WAT +ATOM 59097 H1 TIP3 17596 -34.621 15.083 36.512 1.00 0.00 WAT +ATOM 59098 H2 TIP3 17596 -34.767 16.525 36.209 1.00 0.00 WAT +ATOM 59099 OH2 TIP3 17597 -32.948 31.447 34.032 1.00 0.00 WAT +ATOM 59100 H1 TIP3 17597 -31.973 31.444 34.015 1.00 0.00 WAT +ATOM 59101 H2 TIP3 17597 -33.140 30.771 33.364 1.00 0.00 WAT +ATOM 59102 OH2 TIP3 17598 -26.455 30.462 36.639 1.00 0.00 WAT +ATOM 59103 H1 TIP3 17598 -26.681 29.618 36.198 1.00 0.00 WAT +ATOM 59104 H2 TIP3 17598 -26.490 31.081 35.893 1.00 0.00 WAT +ATOM 59105 OH2 TIP3 17599 -40.107 30.636 32.709 1.00 0.00 WAT +ATOM 59106 H1 TIP3 17599 -40.395 30.817 33.613 1.00 0.00 WAT +ATOM 59107 H2 TIP3 17599 -39.398 29.985 32.846 1.00 0.00 WAT +ATOM 59108 OH2 TIP3 17600 -12.818 22.880 39.231 1.00 0.00 WAT +ATOM 59109 H1 TIP3 17600 -12.760 23.848 39.284 1.00 0.00 WAT +ATOM 59110 H2 TIP3 17600 -13.510 22.765 38.564 1.00 0.00 WAT +ATOM 59111 OH2 TIP3 17601 -13.804 22.273 42.461 1.00 0.00 WAT +ATOM 59112 H1 TIP3 17601 -13.901 21.538 43.090 1.00 0.00 WAT +ATOM 59113 H2 TIP3 17601 -13.969 21.842 41.612 1.00 0.00 WAT +ATOM 59114 OH2 TIP3 17602 -10.273 25.022 40.422 1.00 0.00 WAT +ATOM 59115 H1 TIP3 17602 -10.662 24.352 41.008 1.00 0.00 WAT +ATOM 59116 H2 TIP3 17602 -9.919 25.625 41.111 1.00 0.00 WAT +ATOM 59117 OH2 TIP3 17603 -20.741 26.506 42.448 1.00 0.00 WAT +ATOM 59118 H1 TIP3 17603 -20.996 25.589 42.235 1.00 0.00 WAT +ATOM 59119 H2 TIP3 17603 -19.785 26.359 42.585 1.00 0.00 WAT +ATOM 59120 OH2 TIP3 17604 -22.954 22.347 39.793 1.00 0.00 WAT +ATOM 59121 H1 TIP3 17604 -22.791 21.518 40.275 1.00 0.00 WAT +ATOM 59122 H2 TIP3 17604 -22.200 22.379 39.196 1.00 0.00 WAT +ATOM 59123 OH2 TIP3 17605 -13.387 30.332 41.097 1.00 0.00 WAT +ATOM 59124 H1 TIP3 17605 -12.619 29.785 40.861 1.00 0.00 WAT +ATOM 59125 H2 TIP3 17605 -13.547 30.090 42.028 1.00 0.00 WAT +ATOM 59126 OH2 TIP3 17606 -15.803 24.541 42.789 1.00 0.00 WAT +ATOM 59127 H1 TIP3 17606 -15.350 23.901 42.220 1.00 0.00 WAT +ATOM 59128 H2 TIP3 17606 -15.010 24.933 43.211 1.00 0.00 WAT +ATOM 59129 OH2 TIP3 17607 -12.311 19.306 43.225 1.00 0.00 WAT +ATOM 59130 H1 TIP3 17607 -11.890 18.451 43.414 1.00 0.00 WAT +ATOM 59131 H2 TIP3 17607 -12.252 19.368 42.254 1.00 0.00 WAT +ATOM 59132 OH2 TIP3 17608 -19.248 17.201 40.429 1.00 0.00 WAT +ATOM 59133 H1 TIP3 17608 -19.060 18.040 39.970 1.00 0.00 WAT +ATOM 59134 H2 TIP3 17608 -19.547 16.667 39.663 1.00 0.00 WAT +ATOM 59135 OH2 TIP3 17609 -11.283 17.398 38.719 1.00 0.00 WAT +ATOM 59136 H1 TIP3 17609 -10.735 16.923 39.383 1.00 0.00 WAT +ATOM 59137 H2 TIP3 17609 -10.595 17.788 38.161 1.00 0.00 WAT +ATOM 59138 OH2 TIP3 17610 -22.200 19.808 40.991 1.00 0.00 WAT +ATOM 59139 H1 TIP3 17610 -21.791 19.128 41.528 1.00 0.00 WAT +ATOM 59140 H2 TIP3 17610 -22.211 19.377 40.114 1.00 0.00 WAT +ATOM 59141 OH2 TIP3 17611 -17.157 21.254 40.543 1.00 0.00 WAT +ATOM 59142 H1 TIP3 17611 -16.418 20.688 40.828 1.00 0.00 WAT +ATOM 59143 H2 TIP3 17611 -17.615 20.666 39.913 1.00 0.00 WAT +ATOM 59144 OH2 TIP3 17612 -12.829 25.751 37.928 1.00 0.00 WAT +ATOM 59145 H1 TIP3 17612 -13.172 25.502 37.067 1.00 0.00 WAT +ATOM 59146 H2 TIP3 17612 -13.287 26.591 38.110 1.00 0.00 WAT +ATOM 59147 OH2 TIP3 17613 -9.457 16.509 40.716 1.00 0.00 WAT +ATOM 59148 H1 TIP3 17613 -9.855 16.025 41.458 1.00 0.00 WAT +ATOM 59149 H2 TIP3 17613 -8.851 17.083 41.212 1.00 0.00 WAT +ATOM 59150 OH2 TIP3 17614 -19.965 18.104 42.987 1.00 0.00 WAT +ATOM 59151 H1 TIP3 17614 -20.115 19.030 42.770 1.00 0.00 WAT +ATOM 59152 H2 TIP3 17614 -19.988 17.659 42.116 1.00 0.00 WAT +ATOM 59153 OH2 TIP3 17615 -23.041 25.448 36.247 1.00 0.00 WAT +ATOM 59154 H1 TIP3 17615 -23.351 25.947 35.476 1.00 0.00 WAT +ATOM 59155 H2 TIP3 17615 -22.940 26.134 36.939 1.00 0.00 WAT +ATOM 59156 OH2 TIP3 17616 -9.451 26.338 42.596 1.00 0.00 WAT +ATOM 59157 H1 TIP3 17616 -10.182 26.227 43.240 1.00 0.00 WAT +ATOM 59158 H2 TIP3 17616 -9.285 27.278 42.747 1.00 0.00 WAT +ATOM 59159 OH2 TIP3 17617 -16.239 13.559 41.780 1.00 0.00 WAT +ATOM 59160 H1 TIP3 17617 -16.276 12.589 41.826 1.00 0.00 WAT +ATOM 59161 H2 TIP3 17617 -17.075 13.803 42.225 1.00 0.00 WAT +ATOM 59162 OH2 TIP3 17618 -11.317 28.832 39.648 1.00 0.00 WAT +ATOM 59163 H1 TIP3 17618 -10.846 28.040 39.322 1.00 0.00 WAT +ATOM 59164 H2 TIP3 17618 -10.671 29.538 39.467 1.00 0.00 WAT +ATOM 59165 OH2 TIP3 17619 -9.884 26.686 38.227 1.00 0.00 WAT +ATOM 59166 H1 TIP3 17619 -10.421 26.225 37.566 1.00 0.00 WAT +ATOM 59167 H2 TIP3 17619 -9.948 26.056 38.975 1.00 0.00 WAT +ATOM 59168 OH2 TIP3 17620 -14.088 22.440 36.430 1.00 0.00 WAT +ATOM 59169 H1 TIP3 17620 -14.766 23.009 36.019 1.00 0.00 WAT +ATOM 59170 H2 TIP3 17620 -13.384 22.457 35.760 1.00 0.00 WAT +ATOM 59171 OH2 TIP3 17621 -13.811 20.617 33.475 1.00 0.00 WAT +ATOM 59172 H1 TIP3 17621 -13.103 20.924 34.070 1.00 0.00 WAT +ATOM 59173 H2 TIP3 17621 -13.315 20.033 32.885 1.00 0.00 WAT +ATOM 59174 OH2 TIP3 17622 -10.606 22.422 37.500 1.00 0.00 WAT +ATOM 59175 H1 TIP3 17622 -11.261 22.634 38.198 1.00 0.00 WAT +ATOM 59176 H2 TIP3 17622 -9.983 21.859 37.997 1.00 0.00 WAT +ATOM 59177 OH2 TIP3 17623 -18.939 23.246 39.230 1.00 0.00 WAT +ATOM 59178 H1 TIP3 17623 -19.343 22.793 38.465 1.00 0.00 WAT +ATOM 59179 H2 TIP3 17623 -18.401 22.544 39.628 1.00 0.00 WAT +ATOM 59180 OH2 TIP3 17624 -17.985 26.428 41.520 1.00 0.00 WAT +ATOM 59181 H1 TIP3 17624 -17.694 25.918 40.756 1.00 0.00 WAT +ATOM 59182 H2 TIP3 17624 -17.211 26.410 42.103 1.00 0.00 WAT +ATOM 59183 OH2 TIP3 17625 -18.802 22.020 42.706 1.00 0.00 WAT +ATOM 59184 H1 TIP3 17625 -18.117 21.933 42.018 1.00 0.00 WAT +ATOM 59185 H2 TIP3 17625 -18.303 22.353 43.461 1.00 0.00 WAT +ATOM 59186 OH2 TIP3 17626 -11.630 21.878 34.936 1.00 0.00 WAT +ATOM 59187 H1 TIP3 17626 -11.163 22.151 35.754 1.00 0.00 WAT +ATOM 59188 H2 TIP3 17626 -11.136 22.399 34.256 1.00 0.00 WAT +ATOM 59189 OH2 TIP3 17627 -14.111 28.507 38.510 1.00 0.00 WAT +ATOM 59190 H1 TIP3 17627 -13.699 28.763 39.347 1.00 0.00 WAT +ATOM 59191 H2 TIP3 17627 -14.735 29.223 38.351 1.00 0.00 WAT +ATOM 59192 OH2 TIP3 17628 -8.228 13.639 34.462 1.00 0.00 WAT +ATOM 59193 H1 TIP3 17628 -9.089 13.765 34.908 1.00 0.00 WAT +ATOM 59194 H2 TIP3 17628 -7.837 14.521 34.535 1.00 0.00 WAT +ATOM 59195 OH2 TIP3 17629 -20.071 21.930 36.818 1.00 0.00 WAT +ATOM 59196 H1 TIP3 17629 -20.309 22.672 36.236 1.00 0.00 WAT +ATOM 59197 H2 TIP3 17629 -20.725 21.262 36.566 1.00 0.00 WAT +ATOM 59198 OH2 TIP3 17630 -6.813 27.748 32.985 1.00 0.00 WAT +ATOM 59199 H1 TIP3 17630 -6.645 28.683 33.218 1.00 0.00 WAT +ATOM 59200 H2 TIP3 17630 -5.945 27.340 33.174 1.00 0.00 WAT +ATOM 59201 OH2 TIP3 17631 -23.882 27.381 42.367 1.00 0.00 WAT +ATOM 59202 H1 TIP3 17631 -22.919 27.303 42.436 1.00 0.00 WAT +ATOM 59203 H2 TIP3 17631 -24.058 28.178 42.881 1.00 0.00 WAT +ATOM 59204 OH2 TIP3 17632 -14.805 31.836 37.112 1.00 0.00 WAT +ATOM 59205 H1 TIP3 17632 -14.807 31.269 36.322 1.00 0.00 WAT +ATOM 59206 H2 TIP3 17632 -14.060 32.413 36.932 1.00 0.00 WAT +ATOM 59207 OH2 TIP3 17633 -20.796 30.315 38.640 1.00 0.00 WAT +ATOM 59208 H1 TIP3 17633 -20.686 29.845 39.493 1.00 0.00 WAT +ATOM 59209 H2 TIP3 17633 -21.624 29.927 38.320 1.00 0.00 WAT +ATOM 59210 OH2 TIP3 17634 -11.367 30.614 34.119 1.00 0.00 WAT +ATOM 59211 H1 TIP3 17634 -10.775 29.975 33.674 1.00 0.00 WAT +ATOM 59212 H2 TIP3 17634 -11.389 30.247 35.025 1.00 0.00 WAT +ATOM 59213 OH2 TIP3 17635 -11.939 30.050 36.969 1.00 0.00 WAT +ATOM 59214 H1 TIP3 17635 -12.879 30.109 37.176 1.00 0.00 WAT +ATOM 59215 H2 TIP3 17635 -11.707 29.316 37.563 1.00 0.00 WAT +ATOM 59216 OH2 TIP3 17636 -18.673 14.452 42.908 1.00 0.00 WAT +ATOM 59217 H1 TIP3 17636 -19.512 14.346 42.423 1.00 0.00 WAT +ATOM 59218 H2 TIP3 17636 -18.634 15.409 43.073 1.00 0.00 WAT +ATOM 59219 OH2 TIP3 17637 -10.094 22.945 32.910 1.00 0.00 WAT +ATOM 59220 H1 TIP3 17637 -10.274 22.745 31.973 1.00 0.00 WAT +ATOM 59221 H2 TIP3 17637 -9.151 23.180 32.870 1.00 0.00 WAT +ATOM 59222 OH2 TIP3 17638 -14.423 16.711 33.459 1.00 0.00 WAT +ATOM 59223 H1 TIP3 17638 -14.930 16.595 34.277 1.00 0.00 WAT +ATOM 59224 H2 TIP3 17638 -14.846 16.042 32.893 1.00 0.00 WAT +ATOM 59225 OH2 TIP3 17639 -18.824 19.503 38.834 1.00 0.00 WAT +ATOM 59226 H1 TIP3 17639 -19.783 19.455 38.661 1.00 0.00 WAT +ATOM 59227 H2 TIP3 17639 -18.480 19.266 37.950 1.00 0.00 WAT +ATOM 59228 OH2 TIP3 17640 -13.209 20.072 37.638 1.00 0.00 WAT +ATOM 59229 H1 TIP3 17640 -13.623 20.883 37.273 1.00 0.00 WAT +ATOM 59230 H2 TIP3 17640 -12.524 19.895 36.973 1.00 0.00 WAT +ATOM 59231 OH2 TIP3 17641 -12.414 19.468 40.423 1.00 0.00 WAT +ATOM 59232 H1 TIP3 17641 -12.694 20.019 39.665 1.00 0.00 WAT +ATOM 59233 H2 TIP3 17641 -12.185 18.647 39.942 1.00 0.00 WAT +ATOM 59234 OH2 TIP3 17642 -18.000 17.148 32.344 1.00 0.00 WAT +ATOM 59235 H1 TIP3 17642 -18.362 16.817 33.191 1.00 0.00 WAT +ATOM 59236 H2 TIP3 17642 -18.805 17.313 31.837 1.00 0.00 WAT +ATOM 59237 OH2 TIP3 17643 -24.547 16.815 39.674 1.00 0.00 WAT +ATOM 59238 H1 TIP3 17643 -23.866 16.840 40.369 1.00 0.00 WAT +ATOM 59239 H2 TIP3 17643 -24.041 16.833 38.850 1.00 0.00 WAT +ATOM 59240 OH2 TIP3 17644 -23.167 17.403 34.767 1.00 0.00 WAT +ATOM 59241 H1 TIP3 17644 -22.488 17.963 34.359 1.00 0.00 WAT +ATOM 59242 H2 TIP3 17644 -23.562 18.049 35.405 1.00 0.00 WAT +ATOM 59243 OH2 TIP3 17645 -16.123 17.147 39.842 1.00 0.00 WAT +ATOM 59244 H1 TIP3 17645 -17.056 17.022 40.083 1.00 0.00 WAT +ATOM 59245 H2 TIP3 17645 -15.670 16.850 40.649 1.00 0.00 WAT +ATOM 59246 OH2 TIP3 17646 -21.625 18.451 38.478 1.00 0.00 WAT +ATOM 59247 H1 TIP3 17646 -22.451 18.680 37.981 1.00 0.00 WAT +ATOM 59248 H2 TIP3 17646 -21.342 17.646 38.013 1.00 0.00 WAT +ATOM 59249 OH2 TIP3 17647 -17.847 18.625 36.199 1.00 0.00 WAT +ATOM 59250 H1 TIP3 17647 -16.883 18.736 36.256 1.00 0.00 WAT +ATOM 59251 H2 TIP3 17647 -18.117 19.242 35.495 1.00 0.00 WAT +ATOM 59252 OH2 TIP3 17648 -11.688 15.801 42.733 1.00 0.00 WAT +ATOM 59253 H1 TIP3 17648 -12.024 16.060 43.607 1.00 0.00 WAT +ATOM 59254 H2 TIP3 17648 -12.490 15.803 42.187 1.00 0.00 WAT +ATOM 59255 OH2 TIP3 17649 -19.380 19.880 33.989 1.00 0.00 WAT +ATOM 59256 H1 TIP3 17649 -20.004 19.633 33.287 1.00 0.00 WAT +ATOM 59257 H2 TIP3 17649 -18.581 20.072 33.470 1.00 0.00 WAT +ATOM 59258 OH2 TIP3 17650 -15.155 19.510 41.912 1.00 0.00 WAT +ATOM 59259 H1 TIP3 17650 -14.445 19.174 41.343 1.00 0.00 WAT +ATOM 59260 H2 TIP3 17650 -15.129 18.868 42.638 1.00 0.00 WAT +ATOM 59261 OH2 TIP3 17651 -19.773 16.124 37.899 1.00 0.00 WAT +ATOM 59262 H1 TIP3 17651 -20.349 15.347 38.012 1.00 0.00 WAT +ATOM 59263 H2 TIP3 17651 -19.008 15.754 37.441 1.00 0.00 WAT +ATOM 59264 OH2 TIP3 17652 -15.942 24.500 35.826 1.00 0.00 WAT +ATOM 59265 H1 TIP3 17652 -16.684 23.969 35.461 1.00 0.00 WAT +ATOM 59266 H2 TIP3 17652 -16.127 24.491 36.790 1.00 0.00 WAT +ATOM 59267 OH2 TIP3 17653 -11.748 17.359 33.548 1.00 0.00 WAT +ATOM 59268 H1 TIP3 17653 -12.730 17.284 33.558 1.00 0.00 WAT +ATOM 59269 H2 TIP3 17653 -11.570 18.036 34.234 1.00 0.00 WAT +ATOM 59270 OH2 TIP3 17654 -11.082 19.124 35.635 1.00 0.00 WAT +ATOM 59271 H1 TIP3 17654 -10.215 18.952 36.052 1.00 0.00 WAT +ATOM 59272 H2 TIP3 17654 -10.953 20.007 35.243 1.00 0.00 WAT +ATOM 59273 OH2 TIP3 17655 -20.904 23.622 41.787 1.00 0.00 WAT +ATOM 59274 H1 TIP3 17655 -20.381 23.706 40.978 1.00 0.00 WAT +ATOM 59275 H2 TIP3 17655 -20.437 22.886 42.225 1.00 0.00 WAT +ATOM 59276 OH2 TIP3 17656 -13.539 25.847 34.724 1.00 0.00 WAT +ATOM 59277 H1 TIP3 17656 -13.746 26.684 35.175 1.00 0.00 WAT +ATOM 59278 H2 TIP3 17656 -14.279 25.282 35.013 1.00 0.00 WAT +ATOM 59279 OH2 TIP3 17657 -6.511 19.119 35.416 1.00 0.00 WAT +ATOM 59280 H1 TIP3 17657 -7.043 18.913 34.627 1.00 0.00 WAT +ATOM 59281 H2 TIP3 17657 -6.367 20.075 35.266 1.00 0.00 WAT +ATOM 59282 OH2 TIP3 17658 -8.324 27.725 35.461 1.00 0.00 WAT +ATOM 59283 H1 TIP3 17658 -8.507 26.956 36.021 1.00 0.00 WAT +ATOM 59284 H2 TIP3 17658 -7.738 27.364 34.780 1.00 0.00 WAT +ATOM 59285 OH2 TIP3 17659 -11.138 23.200 42.510 1.00 0.00 WAT +ATOM 59286 H1 TIP3 17659 -12.061 22.921 42.660 1.00 0.00 WAT +ATOM 59287 H2 TIP3 17659 -10.786 22.440 42.004 1.00 0.00 WAT +ATOM 59288 OH2 TIP3 17660 -18.387 27.153 38.603 1.00 0.00 WAT +ATOM 59289 H1 TIP3 17660 -17.993 28.014 38.789 1.00 0.00 WAT +ATOM 59290 H2 TIP3 17660 -19.332 27.346 38.657 1.00 0.00 WAT +ATOM 59291 OH2 TIP3 17661 -22.438 22.000 33.492 1.00 0.00 WAT +ATOM 59292 H1 TIP3 17661 -21.849 22.646 33.921 1.00 0.00 WAT +ATOM 59293 H2 TIP3 17661 -23.295 22.231 33.878 1.00 0.00 WAT +ATOM 59294 OH2 TIP3 17662 -16.580 24.860 38.623 1.00 0.00 WAT +ATOM 59295 H1 TIP3 17662 -16.958 25.756 38.609 1.00 0.00 WAT +ATOM 59296 H2 TIP3 17662 -17.341 24.335 38.924 1.00 0.00 WAT +ATOM 59297 OH2 TIP3 17663 -17.929 30.227 38.083 1.00 0.00 WAT +ATOM 59298 H1 TIP3 17663 -18.895 30.193 38.197 1.00 0.00 WAT +ATOM 59299 H2 TIP3 17663 -17.686 30.949 38.671 1.00 0.00 WAT +ATOM 59300 OH2 TIP3 17664 -10.833 26.160 33.364 1.00 0.00 WAT +ATOM 59301 H1 TIP3 17664 -10.409 25.703 34.113 1.00 0.00 WAT +ATOM 59302 H2 TIP3 17664 -11.763 26.008 33.601 1.00 0.00 WAT +ATOM 59303 OH2 TIP3 17665 -6.099 30.417 33.900 1.00 0.00 WAT +ATOM 59304 H1 TIP3 17665 -5.392 31.053 33.698 1.00 0.00 WAT +ATOM 59305 H2 TIP3 17665 -6.861 31.024 33.897 1.00 0.00 WAT +ATOM 59306 OH2 TIP3 17666 -9.869 24.757 35.736 1.00 0.00 WAT +ATOM 59307 H1 TIP3 17666 -10.137 24.043 36.339 1.00 0.00 WAT +ATOM 59308 H2 TIP3 17666 -8.901 24.744 35.833 1.00 0.00 WAT +ATOM 59309 OH2 TIP3 17667 -16.582 27.208 31.948 1.00 0.00 WAT +ATOM 59310 H1 TIP3 17667 -16.310 26.421 31.439 1.00 0.00 WAT +ATOM 59311 H2 TIP3 17667 -17.028 26.795 32.709 1.00 0.00 WAT +ATOM 59312 OH2 TIP3 17668 -17.724 26.734 34.628 1.00 0.00 WAT +ATOM 59313 H1 TIP3 17668 -17.277 26.180 35.285 1.00 0.00 WAT +ATOM 59314 H2 TIP3 17668 -17.620 27.632 35.004 1.00 0.00 WAT +ATOM 59315 OH2 TIP3 17669 -20.906 24.161 35.031 1.00 0.00 WAT +ATOM 59316 H1 TIP3 17669 -21.634 24.531 35.574 1.00 0.00 WAT +ATOM 59317 H2 TIP3 17669 -20.446 24.977 34.775 1.00 0.00 WAT +ATOM 59318 OH2 TIP3 17670 -12.586 16.065 36.326 1.00 0.00 WAT +ATOM 59319 H1 TIP3 17670 -12.427 16.627 35.555 1.00 0.00 WAT +ATOM 59320 H2 TIP3 17670 -12.154 16.566 37.038 1.00 0.00 WAT +ATOM 59321 OH2 TIP3 17671 -14.767 28.584 35.375 1.00 0.00 WAT +ATOM 59322 H1 TIP3 17671 -15.699 28.862 35.360 1.00 0.00 WAT +ATOM 59323 H2 TIP3 17671 -14.467 28.819 34.484 1.00 0.00 WAT +ATOM 59324 OH2 TIP3 17672 -15.185 18.068 37.267 1.00 0.00 WAT +ATOM 59325 H1 TIP3 17672 -14.428 18.662 37.442 1.00 0.00 WAT +ATOM 59326 H2 TIP3 17672 -15.503 17.879 38.171 1.00 0.00 WAT +ATOM 59327 OH2 TIP3 17673 -14.639 15.071 38.184 1.00 0.00 WAT +ATOM 59328 H1 TIP3 17673 -14.766 15.709 38.908 1.00 0.00 WAT +ATOM 59329 H2 TIP3 17673 -13.882 15.471 37.712 1.00 0.00 WAT +ATOM 59330 OH2 TIP3 17674 -17.559 29.429 35.296 1.00 0.00 WAT +ATOM 59331 H1 TIP3 17674 -17.673 30.224 34.734 1.00 0.00 WAT +ATOM 59332 H2 TIP3 17674 -17.739 29.790 36.186 1.00 0.00 WAT +ATOM 59333 OH2 TIP3 17675 -18.869 16.095 34.760 1.00 0.00 WAT +ATOM 59334 H1 TIP3 17675 -18.856 16.868 35.349 1.00 0.00 WAT +ATOM 59335 H2 TIP3 17675 -18.056 15.629 35.040 1.00 0.00 WAT +ATOM 59336 OH2 TIP3 17676 -10.103 20.883 41.357 1.00 0.00 WAT +ATOM 59337 H1 TIP3 17676 -10.888 20.384 41.069 1.00 0.00 WAT +ATOM 59338 H2 TIP3 17676 -9.537 20.161 41.723 1.00 0.00 WAT +ATOM 59339 OH2 TIP3 17677 -20.468 26.977 33.799 1.00 0.00 WAT +ATOM 59340 H1 TIP3 17677 -19.720 27.446 34.206 1.00 0.00 WAT +ATOM 59341 H2 TIP3 17677 -19.987 26.459 33.134 1.00 0.00 WAT +ATOM 59342 OH2 TIP3 17678 -22.235 19.264 32.741 1.00 0.00 WAT +ATOM 59343 H1 TIP3 17678 -22.229 20.152 33.144 1.00 0.00 WAT +ATOM 59344 H2 TIP3 17678 -23.178 19.076 32.678 1.00 0.00 WAT +ATOM 59345 OH2 TIP3 17679 -8.751 30.541 43.296 1.00 0.00 WAT +ATOM 59346 H1 TIP3 17679 -9.315 30.958 42.623 1.00 0.00 WAT +ATOM 59347 H2 TIP3 17679 -7.888 30.535 42.855 1.00 0.00 WAT +ATOM 59348 OH2 TIP3 17680 -21.444 14.153 41.722 1.00 0.00 WAT +ATOM 59349 H1 TIP3 17680 -21.593 14.187 40.753 1.00 0.00 WAT +ATOM 59350 H2 TIP3 17680 -21.789 13.280 41.955 1.00 0.00 WAT +ATOM 59351 OH2 TIP3 17681 -22.513 27.679 37.993 1.00 0.00 WAT +ATOM 59352 H1 TIP3 17681 -23.290 28.190 38.256 1.00 0.00 WAT +ATOM 59353 H2 TIP3 17681 -22.162 28.208 37.261 1.00 0.00 WAT +ATOM 59354 OH2 TIP3 17682 -14.376 28.877 32.498 1.00 0.00 WAT +ATOM 59355 H1 TIP3 17682 -15.135 28.275 32.332 1.00 0.00 WAT +ATOM 59356 H2 TIP3 17682 -13.661 28.362 32.088 1.00 0.00 WAT +ATOM 59357 OH2 TIP3 17683 -9.740 28.811 32.534 1.00 0.00 WAT +ATOM 59358 H1 TIP3 17683 -9.586 28.013 33.069 1.00 0.00 WAT +ATOM 59359 H2 TIP3 17683 -8.937 28.842 31.985 1.00 0.00 WAT +ATOM 59360 OH2 TIP3 17684 -18.941 24.659 32.273 1.00 0.00 WAT +ATOM 59361 H1 TIP3 17684 -18.804 24.049 33.016 1.00 0.00 WAT +ATOM 59362 H2 TIP3 17684 -18.083 24.586 31.813 1.00 0.00 WAT +ATOM 59363 OH2 TIP3 17685 -13.707 25.967 31.885 1.00 0.00 WAT +ATOM 59364 H1 TIP3 17685 -13.749 25.912 32.856 1.00 0.00 WAT +ATOM 59365 H2 TIP3 17685 -13.756 25.013 31.662 1.00 0.00 WAT +ATOM 59366 OH2 TIP3 17686 -17.834 22.712 34.636 1.00 0.00 WAT +ATOM 59367 H1 TIP3 17686 -18.485 22.223 35.161 1.00 0.00 WAT +ATOM 59368 H2 TIP3 17686 -17.563 22.030 33.987 1.00 0.00 WAT +ATOM 59369 OH2 TIP3 17687 -16.903 20.735 32.867 1.00 0.00 WAT +ATOM 59370 H1 TIP3 17687 -16.957 20.812 31.897 1.00 0.00 WAT +ATOM 59371 H2 TIP3 17687 -15.940 20.704 33.010 1.00 0.00 WAT +ATOM 59372 OH2 TIP3 17688 -7.397 23.181 32.123 1.00 0.00 WAT +ATOM 59373 H1 TIP3 17688 -7.634 22.882 31.227 1.00 0.00 WAT +ATOM 59374 H2 TIP3 17688 -7.421 24.149 31.983 1.00 0.00 WAT +ATOM 59375 OH2 TIP3 17689 -17.123 32.005 33.995 1.00 0.00 WAT +ATOM 59376 H1 TIP3 17689 -16.157 32.062 34.031 1.00 0.00 WAT +ATOM 59377 H2 TIP3 17689 -17.306 32.412 33.139 1.00 0.00 WAT +ATOM 59378 OH2 TIP3 17690 -23.239 26.390 33.456 1.00 0.00 WAT +ATOM 59379 H1 TIP3 17690 -22.290 26.550 33.645 1.00 0.00 WAT +ATOM 59380 H2 TIP3 17690 -23.205 25.574 32.917 1.00 0.00 WAT +ATOM 59381 OH2 TIP3 17691 -24.181 31.526 38.204 1.00 0.00 WAT +ATOM 59382 H1 TIP3 17691 -24.943 31.178 37.701 1.00 0.00 WAT +ATOM 59383 H2 TIP3 17691 -24.126 30.879 38.938 1.00 0.00 WAT +ATOM 59384 OH2 TIP3 17692 -23.832 29.559 40.191 1.00 0.00 WAT +ATOM 59385 H1 TIP3 17692 -24.095 28.670 40.475 1.00 0.00 WAT +ATOM 59386 H2 TIP3 17692 -23.573 29.921 41.058 1.00 0.00 WAT +ATOM 59387 OH2 TIP3 17693 -6.172 30.828 42.714 1.00 0.00 WAT +ATOM 59388 H1 TIP3 17693 -6.325 30.839 43.679 1.00 0.00 WAT +ATOM 59389 H2 TIP3 17693 -5.241 31.079 42.687 1.00 0.00 WAT +ATOM 59390 OH2 TIP3 17694 -7.009 24.628 36.137 1.00 0.00 WAT +ATOM 59391 H1 TIP3 17694 -6.097 24.947 36.287 1.00 0.00 WAT +ATOM 59392 H2 TIP3 17694 -7.083 23.985 36.866 1.00 0.00 WAT +ATOM 59393 OH2 TIP3 17695 -6.523 22.585 38.142 1.00 0.00 WAT +ATOM 59394 H1 TIP3 17695 -7.203 22.013 38.544 1.00 0.00 WAT +ATOM 59395 H2 TIP3 17695 -5.850 22.660 38.846 1.00 0.00 WAT +ATOM 59396 OH2 TIP3 17696 -6.373 24.998 43.415 1.00 0.00 WAT +ATOM 59397 H1 TIP3 17696 -6.314 24.325 42.714 1.00 0.00 WAT +ATOM 59398 H2 TIP3 17696 -6.927 25.683 43.005 1.00 0.00 WAT +ATOM 59399 OH2 TIP3 17697 -6.324 22.005 34.696 1.00 0.00 WAT +ATOM 59400 H1 TIP3 17697 -6.793 22.313 33.899 1.00 0.00 WAT +ATOM 59401 H2 TIP3 17697 -6.412 22.773 35.281 1.00 0.00 WAT +ATOM 59402 OH2 TIP3 17698 -8.139 19.564 32.893 1.00 0.00 WAT +ATOM 59403 H1 TIP3 17698 -7.694 20.142 32.253 1.00 0.00 WAT +ATOM 59404 H2 TIP3 17698 -8.195 18.727 32.409 1.00 0.00 WAT +ATOM 59405 OH2 TIP3 17699 -8.668 20.700 38.900 1.00 0.00 WAT +ATOM 59406 H1 TIP3 17699 -8.680 19.738 38.774 1.00 0.00 WAT +ATOM 59407 H2 TIP3 17699 -8.995 20.796 39.814 1.00 0.00 WAT +ATOM 59408 OH2 TIP3 17700 -23.766 22.562 42.630 1.00 0.00 WAT +ATOM 59409 H1 TIP3 17700 -23.455 22.833 41.748 1.00 0.00 WAT +ATOM 59410 H2 TIP3 17700 -22.942 22.585 43.144 1.00 0.00 WAT +ATOM 59411 OH2 TIP3 17701 -8.355 16.774 31.816 1.00 0.00 WAT +ATOM 59412 H1 TIP3 17701 -7.843 16.442 32.585 1.00 0.00 WAT +ATOM 59413 H2 TIP3 17701 -9.233 16.387 31.962 1.00 0.00 WAT +ATOM 59414 OH2 TIP3 17702 -8.738 18.156 37.105 1.00 0.00 WAT +ATOM 59415 H1 TIP3 17702 -8.476 17.219 37.237 1.00 0.00 WAT +ATOM 59416 H2 TIP3 17702 -7.929 18.510 36.692 1.00 0.00 WAT +ATOM 59417 OH2 TIP3 17703 -8.532 18.910 42.206 1.00 0.00 WAT +ATOM 59418 H1 TIP3 17703 -7.591 18.713 42.340 1.00 0.00 WAT +ATOM 59419 H2 TIP3 17703 -8.925 18.563 43.028 1.00 0.00 WAT +ATOM 59420 OH2 TIP3 17704 -8.233 15.376 37.318 1.00 0.00 WAT +ATOM 59421 H1 TIP3 17704 -8.063 14.955 38.174 1.00 0.00 WAT +ATOM 59422 H2 TIP3 17704 -9.028 14.893 37.017 1.00 0.00 WAT +ATOM 59423 OH2 TIP3 17705 -22.981 16.684 42.037 1.00 0.00 WAT +ATOM 59424 H1 TIP3 17705 -22.648 15.775 42.133 1.00 0.00 WAT +ATOM 59425 H2 TIP3 17705 -22.402 17.159 42.639 1.00 0.00 WAT +ATOM 59426 OH2 TIP3 17706 -24.616 19.593 43.036 1.00 0.00 WAT +ATOM 59427 H1 TIP3 17706 -24.225 19.225 42.227 1.00 0.00 WAT +ATOM 59428 H2 TIP3 17706 -24.343 20.530 42.964 1.00 0.00 WAT +ATOM 59429 OH2 TIP3 17707 -6.332 16.019 33.657 1.00 0.00 WAT +ATOM 59430 H1 TIP3 17707 -6.019 15.161 33.335 1.00 0.00 WAT +ATOM 59431 H2 TIP3 17707 -5.496 16.433 33.942 1.00 0.00 WAT +ATOM 59432 OH2 TIP3 17708 -24.008 15.535 36.795 1.00 0.00 WAT +ATOM 59433 H1 TIP3 17708 -24.966 15.704 36.805 1.00 0.00 WAT +ATOM 59434 H2 TIP3 17708 -23.681 16.293 36.283 1.00 0.00 WAT +ATOM 59435 OH2 TIP3 17709 -9.429 30.942 39.081 1.00 0.00 WAT +ATOM 59436 H1 TIP3 17709 -9.039 30.678 38.229 1.00 0.00 WAT +ATOM 59437 H2 TIP3 17709 -8.657 31.305 39.530 1.00 0.00 WAT +ATOM 59438 OH2 TIP3 17710 -22.397 29.918 42.616 1.00 0.00 WAT +ATOM 59439 H1 TIP3 17710 -22.042 29.961 43.532 1.00 0.00 WAT +ATOM 59440 H2 TIP3 17710 -21.560 29.738 42.141 1.00 0.00 WAT +ATOM 59441 OH2 TIP3 17711 -20.160 29.043 41.134 1.00 0.00 WAT +ATOM 59442 H1 TIP3 17711 -20.299 28.117 41.422 1.00 0.00 WAT +ATOM 59443 H2 TIP3 17711 -19.269 29.222 41.502 1.00 0.00 WAT +ATOM 59444 OH2 TIP3 17712 -17.501 29.565 42.096 1.00 0.00 WAT +ATOM 59445 H1 TIP3 17712 -17.144 28.689 41.900 1.00 0.00 WAT +ATOM 59446 H2 TIP3 17712 -17.357 29.613 43.051 1.00 0.00 WAT +ATOM 59447 OH2 TIP3 17713 -14.147 15.534 41.273 1.00 0.00 WAT +ATOM 59448 H1 TIP3 17713 -14.754 14.815 41.543 1.00 0.00 WAT +ATOM 59449 H2 TIP3 17713 -13.476 15.037 40.765 1.00 0.00 WAT +ATOM 59450 OH2 TIP3 17714 -8.863 13.456 40.896 1.00 0.00 WAT +ATOM 59451 H1 TIP3 17714 -8.154 14.096 41.087 1.00 0.00 WAT +ATOM 59452 H2 TIP3 17714 -9.666 13.977 41.046 1.00 0.00 WAT +ATOM 59453 OH2 TIP3 17715 -21.752 14.162 38.884 1.00 0.00 WAT +ATOM 59454 H1 TIP3 17715 -22.611 14.045 38.429 1.00 0.00 WAT +ATOM 59455 H2 TIP3 17715 -21.335 13.298 38.721 1.00 0.00 WAT +ATOM 59456 OH2 TIP3 17716 -22.958 13.657 34.762 1.00 0.00 WAT +ATOM 59457 H1 TIP3 17716 -22.466 14.325 34.250 1.00 0.00 WAT +ATOM 59458 H2 TIP3 17716 -23.364 14.205 35.462 1.00 0.00 WAT +ATOM 59459 OH2 TIP3 17717 -17.255 13.922 38.909 1.00 0.00 WAT +ATOM 59460 H1 TIP3 17717 -16.364 14.264 38.731 1.00 0.00 WAT +ATOM 59461 H2 TIP3 17717 -17.229 13.815 39.870 1.00 0.00 WAT +ATOM 59462 OH2 TIP3 17718 -11.812 14.086 40.060 1.00 0.00 WAT +ATOM 59463 H1 TIP3 17718 -11.440 13.820 39.211 1.00 0.00 WAT +ATOM 59464 H2 TIP3 17718 -12.045 13.231 40.458 1.00 0.00 WAT +ATOM 59465 OH2 TIP3 17719 -10.549 14.048 36.167 1.00 0.00 WAT +ATOM 59466 H1 TIP3 17719 -11.377 14.551 36.041 1.00 0.00 WAT +ATOM 59467 H2 TIP3 17719 -10.896 13.155 36.342 1.00 0.00 WAT +ATOM 59468 OH2 TIP3 17720 -22.742 29.608 35.922 1.00 0.00 WAT +ATOM 59469 H1 TIP3 17720 -23.394 29.474 35.218 1.00 0.00 WAT +ATOM 59470 H2 TIP3 17720 -22.802 30.567 36.034 1.00 0.00 WAT +ATOM 59471 OH2 TIP3 17721 -21.195 15.423 33.162 1.00 0.00 WAT +ATOM 59472 H1 TIP3 17721 -20.545 14.891 32.674 1.00 0.00 WAT +ATOM 59473 H2 TIP3 17721 -20.650 15.772 33.892 1.00 0.00 WAT +ATOM 59474 OH2 TIP3 17722 -16.140 15.641 35.821 1.00 0.00 WAT +ATOM 59475 H1 TIP3 17722 -15.779 15.086 36.531 1.00 0.00 WAT +ATOM 59476 H2 TIP3 17722 -15.964 16.519 36.194 1.00 0.00 WAT +ATOM 59477 OH2 TIP3 17723 -14.100 31.482 34.042 1.00 0.00 WAT +ATOM 59478 H1 TIP3 17723 -13.126 31.446 34.024 1.00 0.00 WAT +ATOM 59479 H2 TIP3 17723 -14.307 30.756 33.432 1.00 0.00 WAT +ATOM 59480 OH2 TIP3 17724 -7.618 30.461 36.646 1.00 0.00 WAT +ATOM 59481 H1 TIP3 17724 -7.826 29.624 36.185 1.00 0.00 WAT +ATOM 59482 H2 TIP3 17724 -7.607 31.086 35.904 1.00 0.00 WAT +ATOM 59483 OH2 TIP3 17725 -21.317 30.577 32.724 1.00 0.00 WAT +ATOM 59484 H1 TIP3 17725 -21.580 30.822 33.623 1.00 0.00 WAT +ATOM 59485 H2 TIP3 17725 -20.579 29.967 32.880 1.00 0.00 WAT +ATOM 59486 OH2 TIP3 17726 6.024 22.882 39.245 1.00 0.00 WAT +ATOM 59487 H1 TIP3 17726 6.097 23.851 39.276 1.00 0.00 WAT +ATOM 59488 H2 TIP3 17726 5.356 22.767 38.553 1.00 0.00 WAT +ATOM 59489 OH2 TIP3 17727 5.022 22.274 42.470 1.00 0.00 WAT +ATOM 59490 H1 TIP3 17727 4.943 21.509 43.063 1.00 0.00 WAT +ATOM 59491 H2 TIP3 17727 4.898 21.872 41.599 1.00 0.00 WAT +ATOM 59492 OH2 TIP3 17728 8.566 25.026 40.396 1.00 0.00 WAT +ATOM 59493 H1 TIP3 17728 8.173 24.359 40.979 1.00 0.00 WAT +ATOM 59494 H2 TIP3 17728 8.922 25.624 41.091 1.00 0.00 WAT +ATOM 59495 OH2 TIP3 17729 -1.920 26.427 42.458 1.00 0.00 WAT +ATOM 59496 H1 TIP3 17729 -2.066 25.517 42.137 1.00 0.00 WAT +ATOM 59497 H2 TIP3 17729 -0.947 26.373 42.566 1.00 0.00 WAT +ATOM 59498 OH2 TIP3 17730 -4.955 20.026 37.825 1.00 0.00 WAT +ATOM 59499 H1 TIP3 17730 -5.404 20.884 37.826 1.00 0.00 WAT +ATOM 59500 H2 TIP3 17730 -5.608 19.451 37.412 1.00 0.00 WAT +ATOM 59501 OH2 TIP3 17731 -4.141 22.360 39.814 1.00 0.00 WAT +ATOM 59502 H1 TIP3 17731 -3.941 21.499 40.230 1.00 0.00 WAT +ATOM 59503 H2 TIP3 17731 -3.365 22.473 39.248 1.00 0.00 WAT +ATOM 59504 OH2 TIP3 17732 5.605 30.428 41.116 1.00 0.00 WAT +ATOM 59505 H1 TIP3 17732 6.253 29.760 40.832 1.00 0.00 WAT +ATOM 59506 H2 TIP3 17732 5.361 30.132 42.008 1.00 0.00 WAT +ATOM 59507 OH2 TIP3 17733 3.045 24.562 42.794 1.00 0.00 WAT +ATOM 59508 H1 TIP3 17733 3.466 23.899 42.225 1.00 0.00 WAT +ATOM 59509 H2 TIP3 17733 3.858 24.924 43.204 1.00 0.00 WAT +ATOM 59510 OH2 TIP3 17734 6.543 19.303 43.234 1.00 0.00 WAT +ATOM 59511 H1 TIP3 17734 6.953 18.438 43.393 1.00 0.00 WAT +ATOM 59512 H2 TIP3 17734 6.591 19.383 42.263 1.00 0.00 WAT +ATOM 59513 OH2 TIP3 17735 -0.225 17.141 40.365 1.00 0.00 WAT +ATOM 59514 H1 TIP3 17735 -0.169 18.020 39.955 1.00 0.00 WAT +ATOM 59515 H2 TIP3 17735 -0.608 16.626 39.626 1.00 0.00 WAT +ATOM 59516 OH2 TIP3 17736 7.564 17.417 38.723 1.00 0.00 WAT +ATOM 59517 H1 TIP3 17736 8.129 16.949 39.378 1.00 0.00 WAT +ATOM 59518 H2 TIP3 17736 8.238 17.809 38.149 1.00 0.00 WAT +ATOM 59519 OH2 TIP3 17737 -3.440 19.834 40.991 1.00 0.00 WAT +ATOM 59520 H1 TIP3 17737 -2.976 19.186 41.525 1.00 0.00 WAT +ATOM 59521 H2 TIP3 17737 -3.412 19.396 40.119 1.00 0.00 WAT +ATOM 59522 OH2 TIP3 17738 1.674 21.252 40.574 1.00 0.00 WAT +ATOM 59523 H1 TIP3 17738 2.434 20.701 40.830 1.00 0.00 WAT +ATOM 59524 H2 TIP3 17738 1.238 20.676 39.915 1.00 0.00 WAT +ATOM 59525 OH2 TIP3 17739 5.990 25.732 37.939 1.00 0.00 WAT +ATOM 59526 H1 TIP3 17739 5.721 25.527 37.040 1.00 0.00 WAT +ATOM 59527 H2 TIP3 17739 5.549 26.584 38.105 1.00 0.00 WAT +ATOM 59528 OH2 TIP3 17740 9.365 16.588 40.720 1.00 0.00 WAT +ATOM 59529 H1 TIP3 17740 9.030 15.955 41.375 1.00 0.00 WAT +ATOM 59530 H2 TIP3 17740 9.876 17.182 41.296 1.00 0.00 WAT +ATOM 59531 OH2 TIP3 17741 -1.128 17.959 42.991 1.00 0.00 WAT +ATOM 59532 H1 TIP3 17741 -1.680 18.746 42.971 1.00 0.00 WAT +ATOM 59533 H2 TIP3 17741 -1.442 17.437 42.233 1.00 0.00 WAT +ATOM 59534 OH2 TIP3 17742 -4.277 25.459 36.278 1.00 0.00 WAT +ATOM 59535 H1 TIP3 17742 -4.424 25.946 35.449 1.00 0.00 WAT +ATOM 59536 H2 TIP3 17742 -4.080 26.164 36.927 1.00 0.00 WAT +ATOM 59537 OH2 TIP3 17743 9.319 26.339 42.591 1.00 0.00 WAT +ATOM 59538 H1 TIP3 17743 8.669 26.248 43.316 1.00 0.00 WAT +ATOM 59539 H2 TIP3 17743 9.948 26.954 42.976 1.00 0.00 WAT +ATOM 59540 OH2 TIP3 17744 2.611 13.582 41.839 1.00 0.00 WAT +ATOM 59541 H1 TIP3 17744 2.552 12.615 41.831 1.00 0.00 WAT +ATOM 59542 H2 TIP3 17744 1.737 13.828 42.207 1.00 0.00 WAT +ATOM 59543 OH2 TIP3 17745 7.522 28.844 39.649 1.00 0.00 WAT +ATOM 59544 H1 TIP3 17745 7.984 28.038 39.342 1.00 0.00 WAT +ATOM 59545 H2 TIP3 17745 8.186 29.530 39.449 1.00 0.00 WAT +ATOM 59546 OH2 TIP3 17746 8.955 26.701 38.227 1.00 0.00 WAT +ATOM 59547 H1 TIP3 17746 8.460 26.222 37.548 1.00 0.00 WAT +ATOM 59548 H2 TIP3 17746 8.895 26.065 38.971 1.00 0.00 WAT +ATOM 59549 OH2 TIP3 17747 4.764 22.453 36.432 1.00 0.00 WAT +ATOM 59550 H1 TIP3 17747 4.097 23.005 35.987 1.00 0.00 WAT +ATOM 59551 H2 TIP3 17747 5.481 22.444 35.774 1.00 0.00 WAT +ATOM 59552 OH2 TIP3 17748 5.035 20.598 33.481 1.00 0.00 WAT +ATOM 59553 H1 TIP3 17748 5.754 20.918 34.055 1.00 0.00 WAT +ATOM 59554 H2 TIP3 17748 5.529 20.028 32.874 1.00 0.00 WAT +ATOM 59555 OH2 TIP3 17749 8.256 22.431 37.502 1.00 0.00 WAT +ATOM 59556 H1 TIP3 17749 7.597 22.643 38.194 1.00 0.00 WAT +ATOM 59557 H2 TIP3 17749 8.868 21.856 37.996 1.00 0.00 WAT +ATOM 59558 OH2 TIP3 17750 -0.151 23.227 39.262 1.00 0.00 WAT +ATOM 59559 H1 TIP3 17750 -0.495 22.775 38.464 1.00 0.00 WAT +ATOM 59560 H2 TIP3 17750 0.446 22.556 39.632 1.00 0.00 WAT +ATOM 59561 OH2 TIP3 17751 0.837 26.339 41.583 1.00 0.00 WAT +ATOM 59562 H1 TIP3 17751 1.096 25.991 40.718 1.00 0.00 WAT +ATOM 59563 H2 TIP3 17751 1.671 26.313 42.074 1.00 0.00 WAT +ATOM 59564 OH2 TIP3 17752 0.069 22.130 42.715 1.00 0.00 WAT +ATOM 59565 H1 TIP3 17752 0.701 21.893 42.007 1.00 0.00 WAT +ATOM 59566 H2 TIP3 17752 0.659 22.275 43.463 1.00 0.00 WAT +ATOM 59567 OH2 TIP3 17753 7.206 21.890 34.942 1.00 0.00 WAT +ATOM 59568 H1 TIP3 17753 7.697 22.140 35.752 1.00 0.00 WAT +ATOM 59569 H2 TIP3 17753 7.711 22.391 34.254 1.00 0.00 WAT +ATOM 59570 OH2 TIP3 17754 4.672 28.474 38.530 1.00 0.00 WAT +ATOM 59571 H1 TIP3 17754 5.154 28.803 39.298 1.00 0.00 WAT +ATOM 59572 H2 TIP3 17754 4.184 29.257 38.231 1.00 0.00 WAT +ATOM 59573 OH2 TIP3 17755 10.674 13.609 34.444 1.00 0.00 WAT +ATOM 59574 H1 TIP3 17755 9.788 13.695 34.840 1.00 0.00 WAT +ATOM 59575 H2 TIP3 17755 11.009 14.517 34.500 1.00 0.00 WAT +ATOM 59576 OH2 TIP3 17756 -1.258 21.987 36.858 1.00 0.00 WAT +ATOM 59577 H1 TIP3 17756 -1.423 22.680 36.197 1.00 0.00 WAT +ATOM 59578 H2 TIP3 17756 -1.810 21.262 36.533 1.00 0.00 WAT +ATOM 59579 OH2 TIP3 17757 12.041 27.745 32.983 1.00 0.00 WAT +ATOM 59580 H1 TIP3 17757 12.205 28.678 33.223 1.00 0.00 WAT +ATOM 59581 H2 TIP3 17757 12.908 27.336 33.173 1.00 0.00 WAT +ATOM 59582 OH2 TIP3 17758 -4.800 27.344 42.849 1.00 0.00 WAT +ATOM 59583 H1 TIP3 17758 -3.929 27.355 42.416 1.00 0.00 WAT +ATOM 59584 H2 TIP3 17758 -5.039 28.281 42.775 1.00 0.00 WAT +ATOM 59585 OH2 TIP3 17759 4.221 31.181 36.992 1.00 0.00 WAT +ATOM 59586 H1 TIP3 17759 4.234 31.300 36.027 1.00 0.00 WAT +ATOM 59587 H2 TIP3 17759 4.245 32.094 37.322 1.00 0.00 WAT +ATOM 59588 OH2 TIP3 17760 -1.979 30.332 38.617 1.00 0.00 WAT +ATOM 59589 H1 TIP3 17760 -1.812 29.871 39.463 1.00 0.00 WAT +ATOM 59590 H2 TIP3 17760 -2.809 29.925 38.333 1.00 0.00 WAT +ATOM 59591 OH2 TIP3 17761 7.520 30.604 34.173 1.00 0.00 WAT +ATOM 59592 H1 TIP3 17761 8.101 29.952 33.733 1.00 0.00 WAT +ATOM 59593 H2 TIP3 17761 7.465 30.231 35.076 1.00 0.00 WAT +ATOM 59594 OH2 TIP3 17762 6.918 30.041 36.985 1.00 0.00 WAT +ATOM 59595 H1 TIP3 17762 5.965 30.185 37.128 1.00 0.00 WAT +ATOM 59596 H2 TIP3 17762 7.073 29.307 37.604 1.00 0.00 WAT +ATOM 59597 OH2 TIP3 17763 0.127 14.455 42.830 1.00 0.00 WAT +ATOM 59598 H1 TIP3 17763 -0.724 14.323 42.351 1.00 0.00 WAT +ATOM 59599 H2 TIP3 17763 0.114 15.406 43.006 1.00 0.00 WAT +ATOM 59600 OH2 TIP3 17764 8.780 22.966 32.961 1.00 0.00 WAT +ATOM 59601 H1 TIP3 17764 8.562 22.774 32.028 1.00 0.00 WAT +ATOM 59602 H2 TIP3 17764 9.726 23.184 32.885 1.00 0.00 WAT +ATOM 59603 OH2 TIP3 17765 4.311 16.548 33.246 1.00 0.00 WAT +ATOM 59604 H1 TIP3 17765 3.796 16.391 34.049 1.00 0.00 WAT +ATOM 59605 H2 TIP3 17765 3.920 15.878 32.644 1.00 0.00 WAT +ATOM 59606 OH2 TIP3 17766 0.062 19.557 38.820 1.00 0.00 WAT +ATOM 59607 H1 TIP3 17766 -0.889 19.405 38.657 1.00 0.00 WAT +ATOM 59608 H2 TIP3 17766 0.423 19.292 37.948 1.00 0.00 WAT +ATOM 59609 OH2 TIP3 17767 5.668 20.080 37.644 1.00 0.00 WAT +ATOM 59610 H1 TIP3 17767 5.244 20.877 37.262 1.00 0.00 WAT +ATOM 59611 H2 TIP3 17767 6.339 19.880 36.968 1.00 0.00 WAT +ATOM 59612 OH2 TIP3 17768 6.443 19.473 40.422 1.00 0.00 WAT +ATOM 59613 H1 TIP3 17768 6.166 20.021 39.661 1.00 0.00 WAT +ATOM 59614 H2 TIP3 17768 6.671 18.651 39.939 1.00 0.00 WAT +ATOM 59615 OH2 TIP3 17769 0.644 17.447 32.581 1.00 0.00 WAT +ATOM 59616 H1 TIP3 17769 0.561 16.660 33.142 1.00 0.00 WAT +ATOM 59617 H2 TIP3 17769 0.403 17.107 31.714 1.00 0.00 WAT +ATOM 59618 OH2 TIP3 17770 -5.345 17.165 39.479 1.00 0.00 WAT +ATOM 59619 H1 TIP3 17770 -5.387 16.731 40.348 1.00 0.00 WAT +ATOM 59620 H2 TIP3 17770 -5.269 16.404 38.897 1.00 0.00 WAT +ATOM 59621 OH2 TIP3 17771 -4.152 17.480 35.108 1.00 0.00 WAT +ATOM 59622 H1 TIP3 17771 -3.559 17.963 34.494 1.00 0.00 WAT +ATOM 59623 H2 TIP3 17771 -4.799 18.172 35.317 1.00 0.00 WAT +ATOM 59624 OH2 TIP3 17772 2.750 17.136 39.849 1.00 0.00 WAT +ATOM 59625 H1 TIP3 17772 1.802 17.037 40.056 1.00 0.00 WAT +ATOM 59626 H2 TIP3 17772 3.163 16.842 40.675 1.00 0.00 WAT +ATOM 59627 OH2 TIP3 17773 -2.546 18.386 38.482 1.00 0.00 WAT +ATOM 59628 H1 TIP3 17773 -3.460 18.508 38.171 1.00 0.00 WAT +ATOM 59629 H2 TIP3 17773 -2.299 17.530 38.082 1.00 0.00 WAT +ATOM 59630 OH2 TIP3 17774 1.006 18.697 36.253 1.00 0.00 WAT +ATOM 59631 H1 TIP3 17774 1.980 18.704 36.262 1.00 0.00 WAT +ATOM 59632 H2 TIP3 17774 0.776 19.215 35.464 1.00 0.00 WAT +ATOM 59633 OH2 TIP3 17775 7.206 15.842 42.766 1.00 0.00 WAT +ATOM 59634 H1 TIP3 17775 6.808 16.059 43.622 1.00 0.00 WAT +ATOM 59635 H2 TIP3 17775 6.430 15.766 42.185 1.00 0.00 WAT +ATOM 59636 OH2 TIP3 17776 -0.566 19.974 33.980 1.00 0.00 WAT +ATOM 59637 H1 TIP3 17776 -1.097 19.537 33.296 1.00 0.00 WAT +ATOM 59638 H2 TIP3 17776 0.281 20.055 33.509 1.00 0.00 WAT +ATOM 59639 OH2 TIP3 17777 3.710 19.518 41.944 1.00 0.00 WAT +ATOM 59640 H1 TIP3 17777 4.382 19.178 41.332 1.00 0.00 WAT +ATOM 59641 H2 TIP3 17777 3.728 18.838 42.633 1.00 0.00 WAT +ATOM 59642 OH2 TIP3 17778 -0.916 16.019 37.924 1.00 0.00 WAT +ATOM 59643 H1 TIP3 17778 -1.480 15.228 38.020 1.00 0.00 WAT +ATOM 59644 H2 TIP3 17778 -0.175 15.685 37.399 1.00 0.00 WAT +ATOM 59645 OH2 TIP3 17779 2.888 24.519 35.813 1.00 0.00 WAT +ATOM 59646 H1 TIP3 17779 2.157 23.968 35.458 1.00 0.00 WAT +ATOM 59647 H2 TIP3 17779 2.749 24.467 36.781 1.00 0.00 WAT +ATOM 59648 OH2 TIP3 17780 6.985 17.278 33.615 1.00 0.00 WAT +ATOM 59649 H1 TIP3 17780 6.008 17.249 33.520 1.00 0.00 WAT +ATOM 59650 H2 TIP3 17780 7.145 18.042 34.201 1.00 0.00 WAT +ATOM 59651 OH2 TIP3 17781 7.750 19.139 35.662 1.00 0.00 WAT +ATOM 59652 H1 TIP3 17781 8.638 18.950 36.021 1.00 0.00 WAT +ATOM 59653 H2 TIP3 17781 7.888 19.985 35.200 1.00 0.00 WAT +ATOM 59654 OH2 TIP3 17782 -2.054 23.637 41.775 1.00 0.00 WAT +ATOM 59655 H1 TIP3 17782 -1.515 23.695 40.969 1.00 0.00 WAT +ATOM 59656 H2 TIP3 17782 -1.566 22.921 42.233 1.00 0.00 WAT +ATOM 59657 OH2 TIP3 17783 5.333 25.844 34.748 1.00 0.00 WAT +ATOM 59658 H1 TIP3 17783 5.060 26.702 35.133 1.00 0.00 WAT +ATOM 59659 H2 TIP3 17783 4.587 25.278 35.013 1.00 0.00 WAT +ATOM 59660 OH2 TIP3 17784 12.359 19.114 35.398 1.00 0.00 WAT +ATOM 59661 H1 TIP3 17784 11.814 18.909 34.613 1.00 0.00 WAT +ATOM 59662 H2 TIP3 17784 12.479 20.072 35.246 1.00 0.00 WAT +ATOM 59663 OH2 TIP3 17785 10.568 27.738 35.482 1.00 0.00 WAT +ATOM 59664 H1 TIP3 17785 10.339 26.963 36.016 1.00 0.00 WAT +ATOM 59665 H2 TIP3 17785 11.107 27.361 34.773 1.00 0.00 WAT +ATOM 59666 OH2 TIP3 17786 7.688 23.223 42.495 1.00 0.00 WAT +ATOM 59667 H1 TIP3 17786 6.782 22.910 42.672 1.00 0.00 WAT +ATOM 59668 H2 TIP3 17786 8.066 22.467 42.005 1.00 0.00 WAT +ATOM 59669 OH2 TIP3 17787 0.446 27.137 38.738 1.00 0.00 WAT +ATOM 59670 H1 TIP3 17787 0.872 28.009 38.729 1.00 0.00 WAT +ATOM 59671 H2 TIP3 17787 -0.479 27.371 38.604 1.00 0.00 WAT +ATOM 59672 OH2 TIP3 17788 -3.568 21.987 33.515 1.00 0.00 WAT +ATOM 59673 H1 TIP3 17788 -2.960 22.633 33.922 1.00 0.00 WAT +ATOM 59674 H2 TIP3 17788 -4.428 22.283 33.859 1.00 0.00 WAT +ATOM 59675 OH2 TIP3 17789 2.285 24.847 38.668 1.00 0.00 WAT +ATOM 59676 H1 TIP3 17789 1.938 25.752 38.616 1.00 0.00 WAT +ATOM 59677 H2 TIP3 17789 1.500 24.346 38.937 1.00 0.00 WAT +ATOM 59678 OH2 TIP3 17790 0.894 30.058 38.138 1.00 0.00 WAT +ATOM 59679 H1 TIP3 17790 -0.060 30.229 38.187 1.00 0.00 WAT +ATOM 59680 H2 TIP3 17790 1.258 30.930 38.393 1.00 0.00 WAT +ATOM 59681 OH2 TIP3 17791 8.019 26.172 33.372 1.00 0.00 WAT +ATOM 59682 H1 TIP3 17791 8.446 25.697 34.108 1.00 0.00 WAT +ATOM 59683 H2 TIP3 17791 7.091 26.010 33.614 1.00 0.00 WAT +ATOM 59684 OH2 TIP3 17792 12.766 30.414 33.903 1.00 0.00 WAT +ATOM 59685 H1 TIP3 17792 13.458 31.059 33.679 1.00 0.00 WAT +ATOM 59686 H2 TIP3 17792 11.993 31.008 33.901 1.00 0.00 WAT +ATOM 59687 OH2 TIP3 17793 8.991 24.790 35.762 1.00 0.00 WAT +ATOM 59688 H1 TIP3 17793 8.715 24.051 36.331 1.00 0.00 WAT +ATOM 59689 H2 TIP3 17793 9.961 24.742 35.832 1.00 0.00 WAT +ATOM 59690 OH2 TIP3 17794 2.257 27.206 31.934 1.00 0.00 WAT +ATOM 59691 H1 TIP3 17794 2.554 26.419 31.440 1.00 0.00 WAT +ATOM 59692 H2 TIP3 17794 1.838 26.794 32.708 1.00 0.00 WAT +ATOM 59693 OH2 TIP3 17795 1.085 26.717 34.664 1.00 0.00 WAT +ATOM 59694 H1 TIP3 17795 1.627 26.176 35.259 1.00 0.00 WAT +ATOM 59695 H2 TIP3 17795 1.257 27.625 34.989 1.00 0.00 WAT +ATOM 59696 OH2 TIP3 17796 -2.071 24.164 35.024 1.00 0.00 WAT +ATOM 59697 H1 TIP3 17796 -2.772 24.553 35.579 1.00 0.00 WAT +ATOM 59698 H2 TIP3 17796 -1.569 24.954 34.765 1.00 0.00 WAT +ATOM 59699 OH2 TIP3 17797 6.225 16.077 36.338 1.00 0.00 WAT +ATOM 59700 H1 TIP3 17797 6.429 16.562 35.522 1.00 0.00 WAT +ATOM 59701 H2 TIP3 17797 6.710 16.585 37.008 1.00 0.00 WAT +ATOM 59702 OH2 TIP3 17798 4.057 28.345 35.283 1.00 0.00 WAT +ATOM 59703 H1 TIP3 17798 3.241 28.844 35.452 1.00 0.00 WAT +ATOM 59704 H2 TIP3 17798 4.419 28.811 34.517 1.00 0.00 WAT +ATOM 59705 OH2 TIP3 17799 3.660 18.084 37.269 1.00 0.00 WAT +ATOM 59706 H1 TIP3 17799 4.438 18.653 37.436 1.00 0.00 WAT +ATOM 59707 H2 TIP3 17799 3.351 17.891 38.174 1.00 0.00 WAT +ATOM 59708 OH2 TIP3 17800 4.232 15.073 38.209 1.00 0.00 WAT +ATOM 59709 H1 TIP3 17800 4.076 15.761 38.879 1.00 0.00 WAT +ATOM 59710 H2 TIP3 17800 4.969 15.468 37.699 1.00 0.00 WAT +ATOM 59711 OH2 TIP3 17801 1.251 29.423 35.280 1.00 0.00 WAT +ATOM 59712 H1 TIP3 17801 1.196 30.237 34.736 1.00 0.00 WAT +ATOM 59713 H2 TIP3 17801 1.134 29.773 36.182 1.00 0.00 WAT +ATOM 59714 OH2 TIP3 17802 -0.105 15.976 34.866 1.00 0.00 WAT +ATOM 59715 H1 TIP3 17802 0.004 16.833 35.307 1.00 0.00 WAT +ATOM 59716 H2 TIP3 17802 0.764 15.559 35.026 1.00 0.00 WAT +ATOM 59717 OH2 TIP3 17803 8.742 20.874 41.385 1.00 0.00 WAT +ATOM 59718 H1 TIP3 17803 7.961 20.386 41.069 1.00 0.00 WAT +ATOM 59719 H2 TIP3 17803 9.312 20.140 41.713 1.00 0.00 WAT +ATOM 59720 OH2 TIP3 17804 -1.627 26.975 33.806 1.00 0.00 WAT +ATOM 59721 H1 TIP3 17804 -0.878 27.445 34.213 1.00 0.00 WAT +ATOM 59722 H2 TIP3 17804 -1.136 26.464 33.141 1.00 0.00 WAT +ATOM 59723 OH2 TIP3 17805 -3.527 19.226 33.019 1.00 0.00 WAT +ATOM 59724 H1 TIP3 17805 -3.364 20.169 33.217 1.00 0.00 WAT +ATOM 59725 H2 TIP3 17805 -4.394 19.252 32.608 1.00 0.00 WAT +ATOM 59726 OH2 TIP3 17806 10.085 30.583 43.220 1.00 0.00 WAT +ATOM 59727 H1 TIP3 17806 9.475 30.609 42.474 1.00 0.00 WAT +ATOM 59728 H2 TIP3 17806 10.926 30.320 42.831 1.00 0.00 WAT +ATOM 59729 OH2 TIP3 17807 -2.375 14.205 41.662 1.00 0.00 WAT +ATOM 59730 H1 TIP3 17807 -2.784 14.491 40.828 1.00 0.00 WAT +ATOM 59731 H2 TIP3 17807 -3.148 13.857 42.129 1.00 0.00 WAT +ATOM 59732 OH2 TIP3 17808 -3.682 27.676 38.023 1.00 0.00 WAT +ATOM 59733 H1 TIP3 17808 -4.456 28.228 38.186 1.00 0.00 WAT +ATOM 59734 H2 TIP3 17808 -3.250 28.165 37.306 1.00 0.00 WAT +ATOM 59735 OH2 TIP3 17809 4.483 28.907 32.439 1.00 0.00 WAT +ATOM 59736 H1 TIP3 17809 3.732 28.283 32.338 1.00 0.00 WAT +ATOM 59737 H2 TIP3 17809 5.201 28.365 32.072 1.00 0.00 WAT +ATOM 59738 OH2 TIP3 17810 9.122 28.823 32.549 1.00 0.00 WAT +ATOM 59739 H1 TIP3 17810 9.252 28.004 33.057 1.00 0.00 WAT +ATOM 59740 H2 TIP3 17810 9.918 28.840 31.988 1.00 0.00 WAT +ATOM 59741 OH2 TIP3 17811 -0.087 24.643 32.274 1.00 0.00 WAT +ATOM 59742 H1 TIP3 17811 0.073 24.036 33.016 1.00 0.00 WAT +ATOM 59743 H2 TIP3 17811 0.773 24.592 31.813 1.00 0.00 WAT +ATOM 59744 OH2 TIP3 17812 5.133 25.977 31.895 1.00 0.00 WAT +ATOM 59745 H1 TIP3 17812 5.109 25.923 32.867 1.00 0.00 WAT +ATOM 59746 H2 TIP3 17812 5.107 25.020 31.676 1.00 0.00 WAT +ATOM 59747 OH2 TIP3 17813 0.995 22.738 34.643 1.00 0.00 WAT +ATOM 59748 H1 TIP3 17813 0.396 22.179 35.158 1.00 0.00 WAT +ATOM 59749 H2 TIP3 17813 1.316 22.088 33.979 1.00 0.00 WAT +ATOM 59750 OH2 TIP3 17814 1.972 20.813 32.914 1.00 0.00 WAT +ATOM 59751 H1 TIP3 17814 1.901 20.694 31.952 1.00 0.00 WAT +ATOM 59752 H2 TIP3 17814 2.930 20.692 33.051 1.00 0.00 WAT +ATOM 59753 OH2 TIP3 17815 11.458 23.254 32.201 1.00 0.00 WAT +ATOM 59754 H1 TIP3 17815 11.383 22.807 31.344 1.00 0.00 WAT +ATOM 59755 H2 TIP3 17815 11.358 24.192 31.930 1.00 0.00 WAT +ATOM 59756 OH2 TIP3 17816 1.714 31.962 33.962 1.00 0.00 WAT +ATOM 59757 H1 TIP3 17816 2.667 32.078 34.090 1.00 0.00 WAT +ATOM 59758 H2 TIP3 17816 1.590 32.416 33.119 1.00 0.00 WAT +ATOM 59759 OH2 TIP3 17817 -4.370 26.363 33.510 1.00 0.00 WAT +ATOM 59760 H1 TIP3 17817 -3.415 26.556 33.635 1.00 0.00 WAT +ATOM 59761 H2 TIP3 17817 -4.341 25.581 32.922 1.00 0.00 WAT +ATOM 59762 OH2 TIP3 17818 -5.359 31.546 38.220 1.00 0.00 WAT +ATOM 59763 H1 TIP3 17818 -6.093 31.180 37.691 1.00 0.00 WAT +ATOM 59764 H2 TIP3 17818 -5.270 30.877 38.928 1.00 0.00 WAT +ATOM 59765 OH2 TIP3 17819 -4.977 29.579 40.179 1.00 0.00 WAT +ATOM 59766 H1 TIP3 17819 -5.277 28.694 40.408 1.00 0.00 WAT +ATOM 59767 H2 TIP3 17819 -4.692 29.905 41.054 1.00 0.00 WAT +ATOM 59768 OH2 TIP3 17820 12.784 30.959 42.712 1.00 0.00 WAT +ATOM 59769 H1 TIP3 17820 12.563 30.856 43.655 1.00 0.00 WAT +ATOM 59770 H2 TIP3 17820 13.752 30.980 42.763 1.00 0.00 WAT +ATOM 59771 OH2 TIP3 17821 11.851 24.631 36.135 1.00 0.00 WAT +ATOM 59772 H1 TIP3 17821 12.761 24.945 36.298 1.00 0.00 WAT +ATOM 59773 H2 TIP3 17821 11.763 23.984 36.858 1.00 0.00 WAT +ATOM 59774 OH2 TIP3 17822 12.351 22.569 38.134 1.00 0.00 WAT +ATOM 59775 H1 TIP3 17822 11.652 22.020 38.539 1.00 0.00 WAT +ATOM 59776 H2 TIP3 17822 12.996 22.677 38.858 1.00 0.00 WAT +ATOM 59777 OH2 TIP3 17823 12.072 24.910 43.315 1.00 0.00 WAT +ATOM 59778 H1 TIP3 17823 12.649 24.388 42.747 1.00 0.00 WAT +ATOM 59779 H2 TIP3 17823 12.063 25.774 42.883 1.00 0.00 WAT +ATOM 59780 OH2 TIP3 17824 12.559 22.025 34.697 1.00 0.00 WAT +ATOM 59781 H1 TIP3 17824 12.053 22.295 33.907 1.00 0.00 WAT +ATOM 59782 H2 TIP3 17824 12.440 22.798 35.269 1.00 0.00 WAT +ATOM 59783 OH2 TIP3 17825 10.837 19.600 32.951 1.00 0.00 WAT +ATOM 59784 H1 TIP3 17825 11.109 20.165 32.215 1.00 0.00 WAT +ATOM 59785 H2 TIP3 17825 10.591 18.768 32.498 1.00 0.00 WAT +ATOM 59786 OH2 TIP3 17826 10.228 20.725 38.927 1.00 0.00 WAT +ATOM 59787 H1 TIP3 17826 10.181 19.768 38.759 1.00 0.00 WAT +ATOM 59788 H2 TIP3 17826 9.859 20.802 39.825 1.00 0.00 WAT +ATOM 59789 OH2 TIP3 17827 -4.926 22.781 42.550 1.00 0.00 WAT +ATOM 59790 H1 TIP3 17827 -4.521 22.817 41.662 1.00 0.00 WAT +ATOM 59791 H2 TIP3 17827 -4.169 22.547 43.119 1.00 0.00 WAT +ATOM 59792 OH2 TIP3 17828 10.280 16.947 32.180 1.00 0.00 WAT +ATOM 59793 H1 TIP3 17828 10.862 16.412 32.746 1.00 0.00 WAT +ATOM 59794 H2 TIP3 17828 9.494 16.388 32.061 1.00 0.00 WAT +ATOM 59795 OH2 TIP3 17829 10.120 18.217 37.118 1.00 0.00 WAT +ATOM 59796 H1 TIP3 17829 10.350 17.263 37.155 1.00 0.00 WAT +ATOM 59797 H2 TIP3 17829 10.919 18.570 36.688 1.00 0.00 WAT +ATOM 59798 OH2 TIP3 17830 10.346 18.903 42.185 1.00 0.00 WAT +ATOM 59799 H1 TIP3 17830 11.301 18.867 42.351 1.00 0.00 WAT +ATOM 59800 H2 TIP3 17830 9.973 18.677 43.055 1.00 0.00 WAT +ATOM 59801 OH2 TIP3 17831 10.575 15.429 37.072 1.00 0.00 WAT +ATOM 59802 H1 TIP3 17831 10.689 15.079 37.972 1.00 0.00 WAT +ATOM 59803 H2 TIP3 17831 9.788 14.927 36.772 1.00 0.00 WAT +ATOM 59804 OH2 TIP3 17832 -5.739 19.550 43.035 1.00 0.00 WAT +ATOM 59805 H1 TIP3 17832 -5.365 19.117 42.251 1.00 0.00 WAT +ATOM 59806 H2 TIP3 17832 -5.427 20.461 42.918 1.00 0.00 WAT +ATOM 59807 OH2 TIP3 17833 12.560 15.898 33.753 1.00 0.00 WAT +ATOM 59808 H1 TIP3 17833 12.858 15.094 33.294 1.00 0.00 WAT +ATOM 59809 H2 TIP3 17833 13.380 16.415 33.807 1.00 0.00 WAT +ATOM 59810 OH2 TIP3 17834 -5.154 15.382 36.624 1.00 0.00 WAT +ATOM 59811 H1 TIP3 17834 -6.069 15.622 36.832 1.00 0.00 WAT +ATOM 59812 H2 TIP3 17834 -4.767 16.204 36.265 1.00 0.00 WAT +ATOM 59813 OH2 TIP3 17835 9.452 30.882 39.072 1.00 0.00 WAT +ATOM 59814 H1 TIP3 17835 9.865 30.623 38.228 1.00 0.00 WAT +ATOM 59815 H2 TIP3 17835 10.181 31.347 39.494 1.00 0.00 WAT +ATOM 59816 OH2 TIP3 17836 -3.560 29.861 42.589 1.00 0.00 WAT +ATOM 59817 H1 TIP3 17836 -3.207 29.993 43.502 1.00 0.00 WAT +ATOM 59818 H2 TIP3 17836 -2.708 29.707 42.128 1.00 0.00 WAT +ATOM 59819 OH2 TIP3 17837 -1.330 29.052 41.161 1.00 0.00 WAT +ATOM 59820 H1 TIP3 17837 -1.388 28.106 41.390 1.00 0.00 WAT +ATOM 59821 H2 TIP3 17837 -0.413 29.257 41.450 1.00 0.00 WAT +ATOM 59822 OH2 TIP3 17838 1.301 29.509 42.133 1.00 0.00 WAT +ATOM 59823 H1 TIP3 17838 1.682 28.669 41.843 1.00 0.00 WAT +ATOM 59824 H2 TIP3 17838 1.495 29.482 43.078 1.00 0.00 WAT +ATOM 59825 OH2 TIP3 17839 4.732 15.521 41.322 1.00 0.00 WAT +ATOM 59826 H1 TIP3 17839 4.100 14.811 41.558 1.00 0.00 WAT +ATOM 59827 H2 TIP3 17839 5.356 15.042 40.747 1.00 0.00 WAT +ATOM 59828 OH2 TIP3 17840 9.789 13.586 41.652 1.00 0.00 WAT +ATOM 59829 H1 TIP3 17840 10.431 13.946 41.017 1.00 0.00 WAT +ATOM 59830 H2 TIP3 17840 8.938 13.742 41.212 1.00 0.00 WAT +ATOM 59831 OH2 TIP3 17841 11.777 14.600 39.685 1.00 0.00 WAT +ATOM 59832 H1 TIP3 17841 12.470 14.136 39.178 1.00 0.00 WAT +ATOM 59833 H2 TIP3 17841 12.115 15.516 39.701 1.00 0.00 WAT +ATOM 59834 OH2 TIP3 17842 -2.974 14.168 38.738 1.00 0.00 WAT +ATOM 59835 H1 TIP3 17842 -3.908 14.009 38.500 1.00 0.00 WAT +ATOM 59836 H2 TIP3 17842 -2.607 13.270 38.771 1.00 0.00 WAT +ATOM 59837 OH2 TIP3 17843 -4.192 13.705 34.634 1.00 0.00 WAT +ATOM 59838 H1 TIP3 17843 -3.548 14.329 34.248 1.00 0.00 WAT +ATOM 59839 H2 TIP3 17843 -4.493 14.215 35.420 1.00 0.00 WAT +ATOM 59840 OH2 TIP3 17844 1.626 13.863 38.891 1.00 0.00 WAT +ATOM 59841 H1 TIP3 17844 2.498 14.258 38.727 1.00 0.00 WAT +ATOM 59842 H2 TIP3 17844 1.597 13.851 39.856 1.00 0.00 WAT +ATOM 59843 OH2 TIP3 17845 7.118 14.054 40.093 1.00 0.00 WAT +ATOM 59844 H1 TIP3 17845 7.436 13.833 39.208 1.00 0.00 WAT +ATOM 59845 H2 TIP3 17845 6.797 13.195 40.414 1.00 0.00 WAT +ATOM 59846 OH2 TIP3 17846 8.265 14.033 36.178 1.00 0.00 WAT +ATOM 59847 H1 TIP3 17846 7.435 14.516 36.009 1.00 0.00 WAT +ATOM 59848 H2 TIP3 17846 7.934 13.123 36.277 1.00 0.00 WAT +ATOM 59849 OH2 TIP3 17847 -3.931 29.597 35.951 1.00 0.00 WAT +ATOM 59850 H1 TIP3 17847 -4.540 29.487 35.206 1.00 0.00 WAT +ATOM 59851 H2 TIP3 17847 -3.924 30.561 36.029 1.00 0.00 WAT +ATOM 59852 OH2 TIP3 17848 -2.348 15.506 33.135 1.00 0.00 WAT +ATOM 59853 H1 TIP3 17848 -1.740 14.935 32.632 1.00 0.00 WAT +ATOM 59854 H2 TIP3 17848 -1.750 15.827 33.842 1.00 0.00 WAT +ATOM 59855 OH2 TIP3 17849 2.701 15.628 35.838 1.00 0.00 WAT +ATOM 59856 H1 TIP3 17849 3.087 15.092 36.548 1.00 0.00 WAT +ATOM 59857 H2 TIP3 17849 2.929 16.515 36.154 1.00 0.00 WAT +ATOM 59858 OH2 TIP3 17850 4.757 31.440 34.043 1.00 0.00 WAT +ATOM 59859 H1 TIP3 17850 5.732 31.451 34.007 1.00 0.00 WAT +ATOM 59860 H2 TIP3 17850 4.566 30.771 33.366 1.00 0.00 WAT +ATOM 59861 OH2 TIP3 17851 11.251 30.464 36.643 1.00 0.00 WAT +ATOM 59862 H1 TIP3 17851 11.034 29.615 36.205 1.00 0.00 WAT +ATOM 59863 H2 TIP3 17851 11.232 31.073 35.888 1.00 0.00 WAT +ATOM 59864 OH2 TIP3 17852 -2.485 30.545 32.730 1.00 0.00 WAT +ATOM 59865 H1 TIP3 17852 -2.692 30.830 33.630 1.00 0.00 WAT +ATOM 59866 H2 TIP3 17852 -1.701 29.984 32.861 1.00 0.00 WAT +ATOM 59867 OH2 TIP3 17853 24.791 22.906 39.354 1.00 0.00 WAT +ATOM 59868 H1 TIP3 17853 24.937 23.862 39.261 1.00 0.00 WAT +ATOM 59869 H2 TIP3 17853 24.236 22.717 38.582 1.00 0.00 WAT +ATOM 59870 OH2 TIP3 17854 23.677 21.987 42.530 1.00 0.00 WAT +ATOM 59871 H1 TIP3 17854 24.317 21.316 42.833 1.00 0.00 WAT +ATOM 59872 H2 TIP3 17854 23.881 22.019 41.577 1.00 0.00 WAT +ATOM 59873 OH2 TIP3 17855 27.427 25.046 40.380 1.00 0.00 WAT +ATOM 59874 H1 TIP3 17855 27.029 24.364 40.948 1.00 0.00 WAT +ATOM 59875 H2 TIP3 17855 27.773 25.632 41.091 1.00 0.00 WAT +ATOM 59876 OH2 TIP3 17856 17.018 26.475 42.535 1.00 0.00 WAT +ATOM 59877 H1 TIP3 17856 16.729 25.584 42.256 1.00 0.00 WAT +ATOM 59878 H2 TIP3 17856 17.984 26.341 42.471 1.00 0.00 WAT +ATOM 59879 OH2 TIP3 17857 13.916 20.018 37.826 1.00 0.00 WAT +ATOM 59880 H1 TIP3 17857 13.475 20.883 37.825 1.00 0.00 WAT +ATOM 59881 H2 TIP3 17857 13.258 19.466 37.384 1.00 0.00 WAT +ATOM 59882 OH2 TIP3 17858 14.726 22.380 39.804 1.00 0.00 WAT +ATOM 59883 H1 TIP3 17858 14.898 21.535 40.256 1.00 0.00 WAT +ATOM 59884 H2 TIP3 17858 15.484 22.441 39.210 1.00 0.00 WAT +ATOM 59885 OH2 TIP3 17859 24.479 30.437 41.123 1.00 0.00 WAT +ATOM 59886 H1 TIP3 17859 25.112 29.755 40.839 1.00 0.00 WAT +ATOM 59887 H2 TIP3 17859 24.211 30.138 42.006 1.00 0.00 WAT +ATOM 59888 OH2 TIP3 17860 21.903 24.504 42.865 1.00 0.00 WAT +ATOM 59889 H1 TIP3 17860 22.308 23.979 42.161 1.00 0.00 WAT +ATOM 59890 H2 TIP3 17860 22.718 24.917 43.228 1.00 0.00 WAT +ATOM 59891 OH2 TIP3 17861 25.328 19.417 43.262 1.00 0.00 WAT +ATOM 59892 H1 TIP3 17861 25.690 18.549 43.510 1.00 0.00 WAT +ATOM 59893 H2 TIP3 17861 25.400 19.376 42.292 1.00 0.00 WAT +ATOM 59894 OH2 TIP3 17862 18.455 17.205 40.441 1.00 0.00 WAT +ATOM 59895 H1 TIP3 17862 18.750 17.995 39.956 1.00 0.00 WAT +ATOM 59896 H2 TIP3 17862 18.214 16.631 39.686 1.00 0.00 WAT +ATOM 59897 OH2 TIP3 17863 26.591 17.809 38.725 1.00 0.00 WAT +ATOM 59898 H1 TIP3 17863 26.880 17.058 39.278 1.00 0.00 WAT +ATOM 59899 H2 TIP3 17863 27.306 17.862 38.078 1.00 0.00 WAT +ATOM 59900 OH2 TIP3 17864 15.544 19.846 41.003 1.00 0.00 WAT +ATOM 59901 H1 TIP3 17864 15.908 19.124 41.520 1.00 0.00 WAT +ATOM 59902 H2 TIP3 17864 15.504 19.426 40.122 1.00 0.00 WAT +ATOM 59903 OH2 TIP3 17865 20.522 21.212 40.525 1.00 0.00 WAT +ATOM 59904 H1 TIP3 17865 21.296 20.646 40.657 1.00 0.00 WAT +ATOM 59905 H2 TIP3 17865 20.046 20.681 39.852 1.00 0.00 WAT +ATOM 59906 OH2 TIP3 17866 24.879 25.755 37.926 1.00 0.00 WAT +ATOM 59907 H1 TIP3 17866 24.548 25.503 37.060 1.00 0.00 WAT +ATOM 59908 H2 TIP3 17866 24.412 26.592 38.098 1.00 0.00 WAT +ATOM 59909 OH2 TIP3 17867 28.344 16.571 40.679 1.00 0.00 WAT +ATOM 59910 H1 TIP3 17867 27.948 15.891 41.245 1.00 0.00 WAT +ATOM 59911 H2 TIP3 17867 28.710 17.163 41.356 1.00 0.00 WAT +ATOM 59912 OH2 TIP3 17868 17.701 18.030 42.942 1.00 0.00 WAT +ATOM 59913 H1 TIP3 17868 17.513 18.956 42.762 1.00 0.00 WAT +ATOM 59914 H2 TIP3 17868 17.740 17.625 42.048 1.00 0.00 WAT +ATOM 59915 OH2 TIP3 17869 14.612 25.453 36.268 1.00 0.00 WAT +ATOM 59916 H1 TIP3 17869 14.416 25.940 35.449 1.00 0.00 WAT +ATOM 59917 H2 TIP3 17869 14.774 26.161 36.924 1.00 0.00 WAT +ATOM 59918 OH2 TIP3 17870 28.145 26.372 42.580 1.00 0.00 WAT +ATOM 59919 H1 TIP3 17870 27.523 26.263 43.326 1.00 0.00 WAT +ATOM 59920 H2 TIP3 17870 28.829 26.917 42.978 1.00 0.00 WAT +ATOM 59921 OH2 TIP3 17871 21.595 13.700 41.987 1.00 0.00 WAT +ATOM 59922 H1 TIP3 17871 21.690 12.757 41.795 1.00 0.00 WAT +ATOM 59923 H2 TIP3 17871 20.663 13.801 42.230 1.00 0.00 WAT +ATOM 59924 OH2 TIP3 17872 26.373 28.843 39.666 1.00 0.00 WAT +ATOM 59925 H1 TIP3 17872 26.829 28.036 39.355 1.00 0.00 WAT +ATOM 59926 H2 TIP3 17872 27.028 29.532 39.452 1.00 0.00 WAT +ATOM 59927 OH2 TIP3 17873 27.826 26.696 38.181 1.00 0.00 WAT +ATOM 59928 H1 TIP3 17873 27.271 26.202 37.561 1.00 0.00 WAT +ATOM 59929 H2 TIP3 17873 27.785 26.094 38.955 1.00 0.00 WAT +ATOM 59930 OH2 TIP3 17874 23.623 22.502 36.434 1.00 0.00 WAT +ATOM 59931 H1 TIP3 17874 22.941 22.998 35.950 1.00 0.00 WAT +ATOM 59932 H2 TIP3 17874 24.329 22.437 35.768 1.00 0.00 WAT +ATOM 59933 OH2 TIP3 17875 23.889 20.632 33.485 1.00 0.00 WAT +ATOM 59934 H1 TIP3 17875 24.615 20.922 34.065 1.00 0.00 WAT +ATOM 59935 H2 TIP3 17875 24.356 20.011 32.908 1.00 0.00 WAT +ATOM 59936 OH2 TIP3 17876 27.118 22.445 37.501 1.00 0.00 WAT +ATOM 59937 H1 TIP3 17876 26.457 22.623 38.195 1.00 0.00 WAT +ATOM 59938 H2 TIP3 17876 27.715 21.834 37.973 1.00 0.00 WAT +ATOM 59939 OH2 TIP3 17877 18.692 23.200 39.294 1.00 0.00 WAT +ATOM 59940 H1 TIP3 17877 18.330 22.804 38.473 1.00 0.00 WAT +ATOM 59941 H2 TIP3 17877 19.334 22.529 39.572 1.00 0.00 WAT +ATOM 59942 OH2 TIP3 17878 19.692 26.257 41.629 1.00 0.00 WAT +ATOM 59943 H1 TIP3 17878 19.925 26.005 40.722 1.00 0.00 WAT +ATOM 59944 H2 TIP3 17878 20.558 26.387 42.041 1.00 0.00 WAT +ATOM 59945 OH2 TIP3 17879 19.753 21.854 43.142 1.00 0.00 WAT +ATOM 59946 H1 TIP3 17879 19.682 21.876 42.167 1.00 0.00 WAT +ATOM 59947 H2 TIP3 17879 19.220 22.638 43.395 1.00 0.00 WAT +ATOM 59948 OH2 TIP3 17880 26.065 21.903 34.939 1.00 0.00 WAT +ATOM 59949 H1 TIP3 17880 26.553 22.136 35.754 1.00 0.00 WAT +ATOM 59950 H2 TIP3 17880 26.560 22.422 34.260 1.00 0.00 WAT +ATOM 59951 OH2 TIP3 17881 23.561 28.481 38.518 1.00 0.00 WAT +ATOM 59952 H1 TIP3 17881 24.019 28.815 39.298 1.00 0.00 WAT +ATOM 59953 H2 TIP3 17881 23.055 29.253 38.220 1.00 0.00 WAT +ATOM 59954 OH2 TIP3 17882 29.515 13.591 34.465 1.00 0.00 WAT +ATOM 59955 H1 TIP3 17882 28.603 13.686 34.808 1.00 0.00 WAT +ATOM 59956 H2 TIP3 17882 29.841 14.502 34.534 1.00 0.00 WAT +ATOM 59957 OH2 TIP3 17883 17.592 21.992 36.859 1.00 0.00 WAT +ATOM 59958 H1 TIP3 17883 17.424 22.696 36.207 1.00 0.00 WAT +ATOM 59959 H2 TIP3 17883 17.037 21.275 36.521 1.00 0.00 WAT +ATOM 59960 OH2 TIP3 17884 30.986 27.843 32.915 1.00 0.00 WAT +ATOM 59961 H1 TIP3 17884 31.108 28.715 33.317 1.00 0.00 WAT +ATOM 59962 H2 TIP3 17884 31.820 27.382 33.146 1.00 0.00 WAT +ATOM 59963 OH2 TIP3 17885 13.843 27.358 42.408 1.00 0.00 WAT +ATOM 59964 H1 TIP3 17885 14.809 27.342 42.436 1.00 0.00 WAT +ATOM 59965 H2 TIP3 17885 13.640 28.192 42.851 1.00 0.00 WAT +ATOM 59966 OH2 TIP3 17886 23.106 31.196 37.015 1.00 0.00 WAT +ATOM 59967 H1 TIP3 17886 23.020 31.298 36.056 1.00 0.00 WAT +ATOM 59968 H2 TIP3 17886 23.103 32.114 37.333 1.00 0.00 WAT +ATOM 59969 OH2 TIP3 17887 16.888 30.325 38.622 1.00 0.00 WAT +ATOM 59970 H1 TIP3 17887 17.025 29.861 39.472 1.00 0.00 WAT +ATOM 59971 H2 TIP3 17887 16.055 29.934 38.324 1.00 0.00 WAT +ATOM 59972 OH2 TIP3 17888 26.382 30.533 34.087 1.00 0.00 WAT +ATOM 59973 H1 TIP3 17888 26.692 29.703 33.684 1.00 0.00 WAT +ATOM 59974 H2 TIP3 17888 26.286 30.265 35.026 1.00 0.00 WAT +ATOM 59975 OH2 TIP3 17889 25.791 30.104 36.929 1.00 0.00 WAT +ATOM 59976 H1 TIP3 17889 24.842 30.264 37.099 1.00 0.00 WAT +ATOM 59977 H2 TIP3 17889 25.944 29.367 37.543 1.00 0.00 WAT +ATOM 59978 OH2 TIP3 17890 19.044 14.510 42.936 1.00 0.00 WAT +ATOM 59979 H1 TIP3 17890 18.257 14.254 42.428 1.00 0.00 WAT +ATOM 59980 H2 TIP3 17890 18.921 15.459 43.040 1.00 0.00 WAT +ATOM 59981 OH2 TIP3 17891 27.643 23.018 32.957 1.00 0.00 WAT +ATOM 59982 H1 TIP3 17891 27.399 22.789 32.037 1.00 0.00 WAT +ATOM 59983 H2 TIP3 17891 28.602 23.158 32.864 1.00 0.00 WAT +ATOM 59984 OH2 TIP3 17892 23.258 16.735 33.452 1.00 0.00 WAT +ATOM 59985 H1 TIP3 17892 22.831 16.569 34.305 1.00 0.00 WAT +ATOM 59986 H2 TIP3 17892 22.858 16.031 32.913 1.00 0.00 WAT +ATOM 59987 OH2 TIP3 17893 18.919 19.568 38.828 1.00 0.00 WAT +ATOM 59988 H1 TIP3 17893 17.974 19.401 38.657 1.00 0.00 WAT +ATOM 59989 H2 TIP3 17893 19.296 19.290 37.965 1.00 0.00 WAT +ATOM 59990 OH2 TIP3 17894 24.563 20.175 37.711 1.00 0.00 WAT +ATOM 59991 H1 TIP3 17894 24.076 20.871 37.229 1.00 0.00 WAT +ATOM 59992 H2 TIP3 17894 25.192 19.860 37.041 1.00 0.00 WAT +ATOM 59993 OH2 TIP3 17895 25.249 19.540 40.437 1.00 0.00 WAT +ATOM 59994 H1 TIP3 17895 25.007 20.010 39.612 1.00 0.00 WAT +ATOM 59995 H2 TIP3 17895 25.537 18.697 40.014 1.00 0.00 WAT +ATOM 59996 OH2 TIP3 17896 19.707 17.197 32.358 1.00 0.00 WAT +ATOM 59997 H1 TIP3 17896 19.355 16.820 33.190 1.00 0.00 WAT +ATOM 59998 H2 TIP3 17896 18.910 17.298 31.824 1.00 0.00 WAT +ATOM 59999 OH2 TIP3 17897 13.178 17.092 39.448 1.00 0.00 WAT +ATOM 60000 H1 TIP3 17897 13.771 16.980 40.211 1.00 0.00 WAT +ATOM 60001 H2 TIP3 17897 13.655 16.664 38.717 1.00 0.00 WAT +ATOM 60002 OH2 TIP3 17898 14.746 17.487 35.150 1.00 0.00 WAT +ATOM 60003 H1 TIP3 17898 15.281 17.960 34.480 1.00 0.00 WAT +ATOM 60004 H2 TIP3 17898 14.031 18.128 35.302 1.00 0.00 WAT +ATOM 60005 OH2 TIP3 17899 21.615 17.288 40.079 1.00 0.00 WAT +ATOM 60006 H1 TIP3 17899 20.758 16.843 40.079 1.00 0.00 WAT +ATOM 60007 H2 TIP3 17899 22.192 16.602 40.452 1.00 0.00 WAT +ATOM 60008 OH2 TIP3 17900 16.232 18.337 38.540 1.00 0.00 WAT +ATOM 60009 H1 TIP3 17900 15.413 18.571 38.068 1.00 0.00 WAT +ATOM 60010 H2 TIP3 17900 16.535 17.537 38.068 1.00 0.00 WAT +ATOM 60011 OH2 TIP3 17901 19.845 18.704 36.262 1.00 0.00 WAT +ATOM 60012 H1 TIP3 17901 20.819 18.668 36.325 1.00 0.00 WAT +ATOM 60013 H2 TIP3 17901 19.677 19.243 35.472 1.00 0.00 WAT +ATOM 60014 OH2 TIP3 17902 25.808 16.056 42.562 1.00 0.00 WAT +ATOM 60015 H1 TIP3 17902 25.278 15.975 43.362 1.00 0.00 WAT +ATOM 60016 H2 TIP3 17902 25.261 15.633 41.876 1.00 0.00 WAT +ATOM 60017 OH2 TIP3 17903 18.312 19.935 33.990 1.00 0.00 WAT +ATOM 60018 H1 TIP3 17903 17.724 19.607 33.292 1.00 0.00 WAT +ATOM 60019 H2 TIP3 17903 19.128 20.089 33.483 1.00 0.00 WAT +ATOM 60020 OH2 TIP3 17904 22.599 19.333 42.072 1.00 0.00 WAT +ATOM 60021 H1 TIP3 17904 23.099 19.129 41.261 1.00 0.00 WAT +ATOM 60022 H2 TIP3 17904 22.749 18.504 42.556 1.00 0.00 WAT +ATOM 60023 OH2 TIP3 17905 18.009 16.054 37.880 1.00 0.00 WAT +ATOM 60024 H1 TIP3 17905 17.457 15.262 37.990 1.00 0.00 WAT +ATOM 60025 H2 TIP3 17905 18.811 15.687 37.478 1.00 0.00 WAT +ATOM 60026 OH2 TIP3 17906 21.722 24.550 35.811 1.00 0.00 WAT +ATOM 60027 H1 TIP3 17906 21.014 23.977 35.439 1.00 0.00 WAT +ATOM 60028 H2 TIP3 17906 21.606 24.441 36.774 1.00 0.00 WAT +ATOM 60029 OH2 TIP3 17907 25.960 17.338 33.549 1.00 0.00 WAT +ATOM 60030 H1 TIP3 17907 24.986 17.208 33.613 1.00 0.00 WAT +ATOM 60031 H2 TIP3 17907 26.135 17.983 34.263 1.00 0.00 WAT +ATOM 60032 OH2 TIP3 17908 26.631 19.133 35.610 1.00 0.00 WAT +ATOM 60033 H1 TIP3 17908 27.486 18.966 36.051 1.00 0.00 WAT +ATOM 60034 H2 TIP3 17908 26.770 20.000 35.193 1.00 0.00 WAT +ATOM 60035 OH2 TIP3 17909 16.799 23.644 41.720 1.00 0.00 WAT +ATOM 60036 H1 TIP3 17909 17.354 23.694 40.924 1.00 0.00 WAT +ATOM 60037 H2 TIP3 17909 17.042 22.790 42.088 1.00 0.00 WAT +ATOM 60038 OH2 TIP3 17910 24.195 25.852 34.764 1.00 0.00 WAT +ATOM 60039 H1 TIP3 17910 23.905 26.697 35.159 1.00 0.00 WAT +ATOM 60040 H2 TIP3 17910 23.459 25.265 35.008 1.00 0.00 WAT +ATOM 60041 OH2 TIP3 17911 31.240 19.097 35.363 1.00 0.00 WAT +ATOM 60042 H1 TIP3 17911 30.662 18.925 34.594 1.00 0.00 WAT +ATOM 60043 H2 TIP3 17911 31.359 20.060 35.250 1.00 0.00 WAT +ATOM 60044 OH2 TIP3 17912 29.560 27.838 35.535 1.00 0.00 WAT +ATOM 60045 H1 TIP3 17912 29.187 27.144 36.106 1.00 0.00 WAT +ATOM 60046 H2 TIP3 17912 29.969 27.317 34.834 1.00 0.00 WAT +ATOM 60047 OH2 TIP3 17913 26.484 23.251 42.381 1.00 0.00 WAT +ATOM 60048 H1 TIP3 17913 25.814 22.870 42.954 1.00 0.00 WAT +ATOM 60049 H2 TIP3 17913 26.908 22.459 41.989 1.00 0.00 WAT +ATOM 60050 OH2 TIP3 17914 19.315 27.140 38.770 1.00 0.00 WAT +ATOM 60051 H1 TIP3 17914 19.706 28.028 38.718 1.00 0.00 WAT +ATOM 60052 H2 TIP3 17914 18.380 27.332 38.624 1.00 0.00 WAT +ATOM 60053 OH2 TIP3 17915 15.297 21.946 33.517 1.00 0.00 WAT +ATOM 60054 H1 TIP3 17915 15.876 22.624 33.907 1.00 0.00 WAT +ATOM 60055 H2 TIP3 17915 14.420 22.234 33.830 1.00 0.00 WAT +ATOM 60056 OH2 TIP3 17916 21.143 24.862 38.738 1.00 0.00 WAT +ATOM 60057 H1 TIP3 17916 20.789 25.758 38.617 1.00 0.00 WAT +ATOM 60058 H2 TIP3 17916 20.341 24.356 38.935 1.00 0.00 WAT +ATOM 60059 OH2 TIP3 17917 19.749 30.058 38.134 1.00 0.00 WAT +ATOM 60060 H1 TIP3 17917 18.791 30.207 38.198 1.00 0.00 WAT +ATOM 60061 H2 TIP3 17917 20.095 30.936 38.390 1.00 0.00 WAT +ATOM 60062 OH2 TIP3 17918 26.945 26.272 33.407 1.00 0.00 WAT +ATOM 60063 H1 TIP3 17918 27.288 25.693 34.120 1.00 0.00 WAT +ATOM 60064 H2 TIP3 17918 25.997 26.068 33.515 1.00 0.00 WAT +ATOM 60065 OH2 TIP3 17919 31.228 30.751 33.940 1.00 0.00 WAT +ATOM 60066 H1 TIP3 17919 32.109 30.938 33.568 1.00 0.00 WAT +ATOM 60067 H2 TIP3 17919 31.129 31.584 34.417 1.00 0.00 WAT +ATOM 60068 OH2 TIP3 17920 27.870 24.812 35.733 1.00 0.00 WAT +ATOM 60069 H1 TIP3 17920 27.553 24.083 36.294 1.00 0.00 WAT +ATOM 60070 H2 TIP3 17920 28.833 24.751 35.860 1.00 0.00 WAT +ATOM 60071 OH2 TIP3 17921 21.161 27.216 31.983 1.00 0.00 WAT +ATOM 60072 H1 TIP3 17921 21.342 26.463 31.390 1.00 0.00 WAT +ATOM 60073 H2 TIP3 17921 20.682 26.770 32.703 1.00 0.00 WAT +ATOM 60074 OH2 TIP3 17922 19.939 26.727 34.665 1.00 0.00 WAT +ATOM 60075 H1 TIP3 17922 20.467 26.173 35.261 1.00 0.00 WAT +ATOM 60076 H2 TIP3 17922 20.107 27.631 35.000 1.00 0.00 WAT +ATOM 60077 OH2 TIP3 17923 16.820 24.159 35.055 1.00 0.00 WAT +ATOM 60078 H1 TIP3 17923 16.083 24.543 35.569 1.00 0.00 WAT +ATOM 60079 H2 TIP3 17923 17.277 24.961 34.754 1.00 0.00 WAT +ATOM 60080 OH2 TIP3 17924 24.992 15.930 36.170 1.00 0.00 WAT +ATOM 60081 H1 TIP3 17924 25.347 16.715 35.749 1.00 0.00 WAT +ATOM 60082 H2 TIP3 17924 25.028 16.134 37.125 1.00 0.00 WAT +ATOM 60083 OH2 TIP3 17925 22.962 28.416 35.294 1.00 0.00 WAT +ATOM 60084 H1 TIP3 17925 22.093 28.825 35.440 1.00 0.00 WAT +ATOM 60085 H2 TIP3 17925 23.207 28.762 34.424 1.00 0.00 WAT +ATOM 60086 OH2 TIP3 17926 22.453 18.125 37.323 1.00 0.00 WAT +ATOM 60087 H1 TIP3 17926 23.323 18.531 37.470 1.00 0.00 WAT +ATOM 60088 H2 TIP3 17926 22.278 17.753 38.208 1.00 0.00 WAT +ATOM 60089 OH2 TIP3 17927 20.161 29.424 35.288 1.00 0.00 WAT +ATOM 60090 H1 TIP3 17927 20.042 30.224 34.734 1.00 0.00 WAT +ATOM 60091 H2 TIP3 17927 19.978 29.768 36.182 1.00 0.00 WAT +ATOM 60092 OH2 TIP3 17928 18.859 16.090 34.748 1.00 0.00 WAT +ATOM 60093 H1 TIP3 17928 18.880 16.839 35.366 1.00 0.00 WAT +ATOM 60094 H2 TIP3 17928 19.660 15.601 35.029 1.00 0.00 WAT +ATOM 60095 OH2 TIP3 17929 27.574 20.866 41.417 1.00 0.00 WAT +ATOM 60096 H1 TIP3 17929 26.828 20.360 41.045 1.00 0.00 WAT +ATOM 60097 H2 TIP3 17929 28.161 20.132 41.724 1.00 0.00 WAT +ATOM 60098 OH2 TIP3 17930 17.235 26.975 33.789 1.00 0.00 WAT +ATOM 60099 H1 TIP3 17930 17.991 27.429 34.199 1.00 0.00 WAT +ATOM 60100 H2 TIP3 17930 17.713 26.458 33.120 1.00 0.00 WAT +ATOM 60101 OH2 TIP3 17931 15.370 19.141 32.957 1.00 0.00 WAT +ATOM 60102 H1 TIP3 17931 15.492 20.087 33.165 1.00 0.00 WAT +ATOM 60103 H2 TIP3 17931 14.525 19.143 32.491 1.00 0.00 WAT +ATOM 60104 OH2 TIP3 17932 28.903 30.683 43.153 1.00 0.00 WAT +ATOM 60105 H1 TIP3 17932 28.281 30.467 42.453 1.00 0.00 WAT +ATOM 60106 H2 TIP3 17932 29.747 30.315 42.864 1.00 0.00 WAT +ATOM 60107 OH2 TIP3 17933 16.206 14.170 41.731 1.00 0.00 WAT +ATOM 60108 H1 TIP3 17933 16.112 14.172 40.756 1.00 0.00 WAT +ATOM 60109 H2 TIP3 17933 15.960 13.262 41.962 1.00 0.00 WAT +ATOM 60110 OH2 TIP3 17934 15.201 27.674 38.002 1.00 0.00 WAT +ATOM 60111 H1 TIP3 17934 14.420 28.191 38.240 1.00 0.00 WAT +ATOM 60112 H2 TIP3 17934 15.567 28.199 37.274 1.00 0.00 WAT +ATOM 60113 OH2 TIP3 17935 23.361 28.878 32.468 1.00 0.00 WAT +ATOM 60114 H1 TIP3 17935 22.565 28.308 32.354 1.00 0.00 WAT +ATOM 60115 H2 TIP3 17935 24.027 28.289 32.073 1.00 0.00 WAT +ATOM 60116 OH2 TIP3 17936 28.188 28.805 32.670 1.00 0.00 WAT +ATOM 60117 H1 TIP3 17936 28.053 27.914 33.051 1.00 0.00 WAT +ATOM 60118 H2 TIP3 17936 28.725 28.612 31.877 1.00 0.00 WAT +ATOM 60119 OH2 TIP3 17937 18.770 24.681 32.282 1.00 0.00 WAT +ATOM 60120 H1 TIP3 17937 18.930 24.034 32.988 1.00 0.00 WAT +ATOM 60121 H2 TIP3 17937 19.599 24.592 31.766 1.00 0.00 WAT +ATOM 60122 OH2 TIP3 17938 24.084 26.005 31.915 1.00 0.00 WAT +ATOM 60123 H1 TIP3 17938 23.937 25.869 32.868 1.00 0.00 WAT +ATOM 60124 H2 TIP3 17938 23.968 25.082 31.601 1.00 0.00 WAT +ATOM 60125 OH2 TIP3 17939 19.895 22.705 34.660 1.00 0.00 WAT +ATOM 60126 H1 TIP3 17939 19.246 22.178 35.147 1.00 0.00 WAT +ATOM 60127 H2 TIP3 17939 20.174 22.060 33.976 1.00 0.00 WAT +ATOM 60128 OH2 TIP3 17940 20.806 20.759 32.870 1.00 0.00 WAT +ATOM 60129 H1 TIP3 17940 20.758 20.815 31.894 1.00 0.00 WAT +ATOM 60130 H2 TIP3 17940 21.769 20.701 33.008 1.00 0.00 WAT +ATOM 60131 OH2 TIP3 17941 30.303 23.274 32.182 1.00 0.00 WAT +ATOM 60132 H1 TIP3 17941 30.211 22.805 31.338 1.00 0.00 WAT +ATOM 60133 H2 TIP3 17941 30.241 24.203 31.887 1.00 0.00 WAT +ATOM 60134 OH2 TIP3 17942 20.567 31.979 33.976 1.00 0.00 WAT +ATOM 60135 H1 TIP3 17942 21.522 32.107 34.044 1.00 0.00 WAT +ATOM 60136 H2 TIP3 17942 20.385 32.393 33.123 1.00 0.00 WAT +ATOM 60137 OH2 TIP3 17943 14.483 26.364 33.507 1.00 0.00 WAT +ATOM 60138 H1 TIP3 17943 15.440 26.550 33.622 1.00 0.00 WAT +ATOM 60139 H2 TIP3 17943 14.496 25.580 32.920 1.00 0.00 WAT +ATOM 60140 OH2 TIP3 17944 13.519 31.536 38.208 1.00 0.00 WAT +ATOM 60141 H1 TIP3 17944 12.772 31.177 37.691 1.00 0.00 WAT +ATOM 60142 H2 TIP3 17944 13.586 30.879 38.930 1.00 0.00 WAT +ATOM 60143 OH2 TIP3 17945 13.885 29.556 40.190 1.00 0.00 WAT +ATOM 60144 H1 TIP3 17945 13.601 28.673 40.469 1.00 0.00 WAT +ATOM 60145 H2 TIP3 17945 14.129 29.922 41.060 1.00 0.00 WAT +ATOM 60146 OH2 TIP3 17946 31.651 30.986 42.725 1.00 0.00 WAT +ATOM 60147 H1 TIP3 17946 31.448 30.849 43.668 1.00 0.00 WAT +ATOM 60148 H2 TIP3 17946 32.621 30.970 42.760 1.00 0.00 WAT +ATOM 60149 OH2 TIP3 17947 30.726 24.626 36.126 1.00 0.00 WAT +ATOM 60150 H1 TIP3 17947 31.633 24.928 36.319 1.00 0.00 WAT +ATOM 60151 H2 TIP3 17947 30.608 23.985 36.851 1.00 0.00 WAT +ATOM 60152 OH2 TIP3 17948 31.192 22.578 38.124 1.00 0.00 WAT +ATOM 60153 H1 TIP3 17948 30.504 22.024 38.541 1.00 0.00 WAT +ATOM 60154 H2 TIP3 17948 31.859 22.671 38.835 1.00 0.00 WAT +ATOM 60155 OH2 TIP3 17949 30.867 24.895 43.271 1.00 0.00 WAT +ATOM 60156 H1 TIP3 17949 31.523 24.384 42.781 1.00 0.00 WAT +ATOM 60157 H2 TIP3 17949 30.955 25.780 42.893 1.00 0.00 WAT +ATOM 60158 OH2 TIP3 17950 31.447 22.034 34.677 1.00 0.00 WAT +ATOM 60159 H1 TIP3 17950 30.910 22.307 33.911 1.00 0.00 WAT +ATOM 60160 H2 TIP3 17950 31.296 22.773 35.287 1.00 0.00 WAT +ATOM 60161 OH2 TIP3 17951 29.709 19.591 32.942 1.00 0.00 WAT +ATOM 60162 H1 TIP3 17951 29.957 20.166 32.205 1.00 0.00 WAT +ATOM 60163 H2 TIP3 17951 29.449 18.767 32.486 1.00 0.00 WAT +ATOM 60164 OH2 TIP3 17952 29.087 20.713 38.927 1.00 0.00 WAT +ATOM 60165 H1 TIP3 17952 29.006 19.757 38.762 1.00 0.00 WAT +ATOM 60166 H2 TIP3 17952 28.714 20.795 39.822 1.00 0.00 WAT +ATOM 60167 OH2 TIP3 17953 13.943 22.532 42.614 1.00 0.00 WAT +ATOM 60168 H1 TIP3 17953 14.274 22.842 41.753 1.00 0.00 WAT +ATOM 60169 H2 TIP3 17953 14.732 22.582 43.177 1.00 0.00 WAT +ATOM 60170 OH2 TIP3 17954 29.181 16.918 32.129 1.00 0.00 WAT +ATOM 60171 H1 TIP3 17954 29.730 16.437 32.774 1.00 0.00 WAT +ATOM 60172 H2 TIP3 17954 28.349 16.419 32.117 1.00 0.00 WAT +ATOM 60173 OH2 TIP3 17955 29.011 18.212 37.065 1.00 0.00 WAT +ATOM 60174 H1 TIP3 17955 29.224 17.258 37.145 1.00 0.00 WAT +ATOM 60175 H2 TIP3 17955 29.828 18.544 36.656 1.00 0.00 WAT +ATOM 60176 OH2 TIP3 17956 29.201 18.923 42.212 1.00 0.00 WAT +ATOM 60177 H1 TIP3 17956 30.151 18.830 42.378 1.00 0.00 WAT +ATOM 60178 H2 TIP3 17956 28.807 18.629 43.052 1.00 0.00 WAT +ATOM 60179 OH2 TIP3 17957 29.442 15.396 37.096 1.00 0.00 WAT +ATOM 60180 H1 TIP3 17957 29.413 15.083 38.014 1.00 0.00 WAT +ATOM 60181 H2 TIP3 17957 28.643 14.953 36.739 1.00 0.00 WAT +ATOM 60182 OH2 TIP3 17958 14.675 16.723 41.945 1.00 0.00 WAT +ATOM 60183 H1 TIP3 17958 14.946 15.789 42.014 1.00 0.00 WAT +ATOM 60184 H2 TIP3 17958 15.305 17.122 42.552 1.00 0.00 WAT +ATOM 60185 OH2 TIP3 17959 13.133 19.583 43.043 1.00 0.00 WAT +ATOM 60186 H1 TIP3 17959 13.521 19.214 42.234 1.00 0.00 WAT +ATOM 60187 H2 TIP3 17959 13.386 20.524 42.967 1.00 0.00 WAT +ATOM 60188 OH2 TIP3 17960 31.412 15.913 33.737 1.00 0.00 WAT +ATOM 60189 H1 TIP3 17960 31.720 15.099 33.305 1.00 0.00 WAT +ATOM 60190 H2 TIP3 17960 32.234 16.422 33.827 1.00 0.00 WAT +ATOM 60191 OH2 TIP3 17961 13.648 15.662 36.964 1.00 0.00 WAT +ATOM 60192 H1 TIP3 17961 12.709 15.674 36.713 1.00 0.00 WAT +ATOM 60193 H2 TIP3 17961 14.067 16.229 36.286 1.00 0.00 WAT +ATOM 60194 OH2 TIP3 17962 28.280 30.911 39.080 1.00 0.00 WAT +ATOM 60195 H1 TIP3 17962 28.710 30.685 38.235 1.00 0.00 WAT +ATOM 60196 H2 TIP3 17962 29.002 31.354 39.540 1.00 0.00 WAT +ATOM 60197 OH2 TIP3 17963 15.313 29.904 42.628 1.00 0.00 WAT +ATOM 60198 H1 TIP3 17963 15.677 29.967 43.537 1.00 0.00 WAT +ATOM 60199 H2 TIP3 17963 16.147 29.742 42.139 1.00 0.00 WAT +ATOM 60200 OH2 TIP3 17964 17.525 29.056 41.158 1.00 0.00 WAT +ATOM 60201 H1 TIP3 17964 17.416 28.121 41.415 1.00 0.00 WAT +ATOM 60202 H2 TIP3 17964 18.437 29.242 41.466 1.00 0.00 WAT +ATOM 60203 OH2 TIP3 17965 20.183 29.530 42.128 1.00 0.00 WAT +ATOM 60204 H1 TIP3 17965 20.546 28.681 41.850 1.00 0.00 WAT +ATOM 60205 H2 TIP3 17965 20.332 29.497 43.081 1.00 0.00 WAT +ATOM 60206 OH2 TIP3 17966 28.159 13.741 41.447 1.00 0.00 WAT +ATOM 60207 H1 TIP3 17966 28.975 14.042 41.018 1.00 0.00 WAT +ATOM 60208 H2 TIP3 17966 27.489 13.850 40.753 1.00 0.00 WAT +ATOM 60209 OH2 TIP3 17967 30.687 14.534 39.787 1.00 0.00 WAT +ATOM 60210 H1 TIP3 17967 31.307 14.187 39.126 1.00 0.00 WAT +ATOM 60211 H2 TIP3 17967 30.859 15.489 39.781 1.00 0.00 WAT +ATOM 60212 OH2 TIP3 17968 15.943 14.157 38.894 1.00 0.00 WAT +ATOM 60213 H1 TIP3 17968 15.085 14.016 38.448 1.00 0.00 WAT +ATOM 60214 H2 TIP3 17968 16.372 13.292 38.743 1.00 0.00 WAT +ATOM 60215 OH2 TIP3 17969 14.767 13.643 34.768 1.00 0.00 WAT +ATOM 60216 H1 TIP3 17969 15.280 14.298 34.257 1.00 0.00 WAT +ATOM 60217 H2 TIP3 17969 14.357 14.192 35.453 1.00 0.00 WAT +ATOM 60218 OH2 TIP3 17970 20.542 14.100 38.928 1.00 0.00 WAT +ATOM 60219 H1 TIP3 17970 21.492 14.238 38.787 1.00 0.00 WAT +ATOM 60220 H2 TIP3 17970 20.546 13.773 39.832 1.00 0.00 WAT +ATOM 60221 OH2 TIP3 17971 27.114 14.071 36.062 1.00 0.00 WAT +ATOM 60222 H1 TIP3 17971 26.278 14.589 36.072 1.00 0.00 WAT +ATOM 60223 H2 TIP3 17971 26.790 13.231 36.433 1.00 0.00 WAT +ATOM 60224 OH2 TIP3 17972 14.954 29.602 35.937 1.00 0.00 WAT +ATOM 60225 H1 TIP3 17972 14.316 29.473 35.218 1.00 0.00 WAT +ATOM 60226 H2 TIP3 17972 14.920 30.565 36.025 1.00 0.00 WAT +ATOM 60227 OH2 TIP3 17973 16.486 15.473 33.220 1.00 0.00 WAT +ATOM 60228 H1 TIP3 17973 17.084 14.907 32.702 1.00 0.00 WAT +ATOM 60229 H2 TIP3 17973 17.092 15.795 33.915 1.00 0.00 WAT +ATOM 60230 OH2 TIP3 17974 21.529 15.643 35.888 1.00 0.00 WAT +ATOM 60231 H1 TIP3 17974 21.918 14.963 36.458 1.00 0.00 WAT +ATOM 60232 H2 TIP3 17974 21.857 16.456 36.304 1.00 0.00 WAT +ATOM 60233 OH2 TIP3 17975 23.647 31.517 33.921 1.00 0.00 WAT +ATOM 60234 H1 TIP3 17975 24.604 31.381 34.021 1.00 0.00 WAT +ATOM 60235 H2 TIP3 17975 23.398 30.756 33.373 1.00 0.00 WAT +ATOM 60236 OH2 TIP3 17976 29.955 30.597 36.666 1.00 0.00 WAT +ATOM 60237 H1 TIP3 17976 29.813 29.740 36.211 1.00 0.00 WAT +ATOM 60238 H2 TIP3 17976 29.991 31.217 35.934 1.00 0.00 WAT +ATOM 60239 OH2 TIP3 17977 16.388 30.565 32.727 1.00 0.00 WAT +ATOM 60240 H1 TIP3 17977 16.141 30.819 33.628 1.00 0.00 WAT +ATOM 60241 H2 TIP3 17977 17.143 29.972 32.873 1.00 0.00 WAT +ATOM 60242 OH2 TIP3 17978 42.670 22.118 42.088 1.00 0.00 WAT +ATOM 60243 H1 TIP3 17978 42.524 21.689 42.945 1.00 0.00 WAT +ATOM 60244 H2 TIP3 17978 42.203 21.539 41.471 1.00 0.00 WAT +ATOM 60245 OH2 TIP3 17979 35.832 26.496 42.455 1.00 0.00 WAT +ATOM 60246 H1 TIP3 17979 35.581 25.580 42.243 1.00 0.00 WAT +ATOM 60247 H2 TIP3 17979 36.796 26.363 42.536 1.00 0.00 WAT +ATOM 60248 OH2 TIP3 17980 32.812 20.012 37.765 1.00 0.00 WAT +ATOM 60249 H1 TIP3 17980 32.363 20.866 37.866 1.00 0.00 WAT +ATOM 60250 H2 TIP3 17980 32.095 19.452 37.445 1.00 0.00 WAT +ATOM 60251 OH2 TIP3 17981 33.548 22.352 39.745 1.00 0.00 WAT +ATOM 60252 H1 TIP3 17981 33.758 21.571 40.290 1.00 0.00 WAT +ATOM 60253 H2 TIP3 17981 34.377 22.475 39.269 1.00 0.00 WAT +ATOM 60254 OH2 TIP3 17982 40.635 24.280 42.828 1.00 0.00 WAT +ATOM 60255 H1 TIP3 17982 41.164 23.855 42.138 1.00 0.00 WAT +ATOM 60256 H2 TIP3 17982 41.358 24.775 43.273 1.00 0.00 WAT +ATOM 60257 OH2 TIP3 17983 37.409 17.162 40.407 1.00 0.00 WAT +ATOM 60258 H1 TIP3 17983 37.534 18.029 39.981 1.00 0.00 WAT +ATOM 60259 H2 TIP3 17983 37.053 16.655 39.652 1.00 0.00 WAT +ATOM 60260 OH2 TIP3 17984 34.361 19.861 40.993 1.00 0.00 WAT +ATOM 60261 H1 TIP3 17984 34.758 19.195 41.559 1.00 0.00 WAT +ATOM 60262 H2 TIP3 17984 34.330 19.394 40.139 1.00 0.00 WAT +ATOM 60263 OH2 TIP3 17985 39.437 21.244 40.533 1.00 0.00 WAT +ATOM 60264 H1 TIP3 17985 40.148 20.630 40.810 1.00 0.00 WAT +ATOM 60265 H2 TIP3 17985 38.941 20.665 39.925 1.00 0.00 WAT +ATOM 60266 OH2 TIP3 17986 36.641 18.090 43.002 1.00 0.00 WAT +ATOM 60267 H1 TIP3 17986 36.460 19.015 42.802 1.00 0.00 WAT +ATOM 60268 H2 TIP3 17986 36.563 17.645 42.139 1.00 0.00 WAT +ATOM 60269 OH2 TIP3 17987 33.481 25.453 36.262 1.00 0.00 WAT +ATOM 60270 H1 TIP3 17987 33.253 25.963 35.471 1.00 0.00 WAT +ATOM 60271 H2 TIP3 17987 33.642 26.144 36.941 1.00 0.00 WAT +ATOM 60272 OH2 TIP3 17988 40.354 13.535 41.757 1.00 0.00 WAT +ATOM 60273 H1 TIP3 17988 40.250 12.573 41.816 1.00 0.00 WAT +ATOM 60274 H2 TIP3 17988 39.539 13.845 42.199 1.00 0.00 WAT +ATOM 60275 OH2 TIP3 17989 42.660 22.303 36.309 1.00 0.00 WAT +ATOM 60276 H1 TIP3 17989 41.978 22.984 36.168 1.00 0.00 WAT +ATOM 60277 H2 TIP3 17989 43.302 22.545 35.642 1.00 0.00 WAT +ATOM 60278 OH2 TIP3 17990 42.910 20.781 33.506 1.00 0.00 WAT +ATOM 60279 H1 TIP3 17990 43.663 20.717 34.113 1.00 0.00 WAT +ATOM 60280 H2 TIP3 17990 42.949 19.970 32.993 1.00 0.00 WAT +ATOM 60281 OH2 TIP3 17991 37.583 23.207 39.269 1.00 0.00 WAT +ATOM 60282 H1 TIP3 17991 37.237 22.767 38.469 1.00 0.00 WAT +ATOM 60283 H2 TIP3 17991 38.197 22.543 39.622 1.00 0.00 WAT +ATOM 60284 OH2 TIP3 17992 38.550 26.317 41.548 1.00 0.00 WAT +ATOM 60285 H1 TIP3 17992 38.927 25.923 40.753 1.00 0.00 WAT +ATOM 60286 H2 TIP3 17992 39.322 26.434 42.127 1.00 0.00 WAT +ATOM 60287 OH2 TIP3 17993 37.903 21.855 42.811 1.00 0.00 WAT +ATOM 60288 H1 TIP3 17993 38.494 21.963 42.043 1.00 0.00 WAT +ATOM 60289 H2 TIP3 17993 38.150 22.591 43.387 1.00 0.00 WAT +ATOM 60290 OH2 TIP3 17994 42.487 28.424 38.463 1.00 0.00 WAT +ATOM 60291 H1 TIP3 17994 42.998 28.866 39.165 1.00 0.00 WAT +ATOM 60292 H2 TIP3 17994 41.997 29.156 38.077 1.00 0.00 WAT +ATOM 60293 OH2 TIP3 17995 36.507 21.934 36.803 1.00 0.00 WAT +ATOM 60294 H1 TIP3 17995 36.291 22.687 36.227 1.00 0.00 WAT +ATOM 60295 H2 TIP3 17995 35.839 21.286 36.541 1.00 0.00 WAT +ATOM 60296 OH2 TIP3 17996 32.695 27.390 42.324 1.00 0.00 WAT +ATOM 60297 H1 TIP3 17996 33.652 27.306 42.449 1.00 0.00 WAT +ATOM 60298 H2 TIP3 17996 32.485 28.149 42.883 1.00 0.00 WAT +ATOM 60299 OH2 TIP3 17997 41.664 31.279 36.839 1.00 0.00 WAT +ATOM 60300 H1 TIP3 17997 42.172 31.242 36.019 1.00 0.00 WAT +ATOM 60301 H2 TIP3 17997 42.061 32.021 37.318 1.00 0.00 WAT +ATOM 60302 OH2 TIP3 17998 35.729 30.310 38.630 1.00 0.00 WAT +ATOM 60303 H1 TIP3 17998 35.917 29.875 39.488 1.00 0.00 WAT +ATOM 60304 H2 TIP3 17998 34.882 29.908 38.400 1.00 0.00 WAT +ATOM 60305 OH2 TIP3 17999 37.904 14.443 42.901 1.00 0.00 WAT +ATOM 60306 H1 TIP3 17999 37.056 14.345 42.430 1.00 0.00 WAT +ATOM 60307 H2 TIP3 17999 37.943 15.399 43.085 1.00 0.00 WAT +ATOM 60308 OH2 TIP3 18000 42.330 16.783 33.487 1.00 0.00 WAT +ATOM 60309 H1 TIP3 18000 41.727 16.637 34.230 1.00 0.00 WAT +ATOM 60310 H2 TIP3 18000 42.005 16.114 32.866 1.00 0.00 WAT +ATOM 60311 OH2 TIP3 18001 37.768 19.515 38.839 1.00 0.00 WAT +ATOM 60312 H1 TIP3 18001 36.807 19.424 38.691 1.00 0.00 WAT +ATOM 60313 H2 TIP3 18001 38.099 19.295 37.948 1.00 0.00 WAT +ATOM 60314 OH2 TIP3 18002 42.791 19.988 38.335 1.00 0.00 WAT +ATOM 60315 H1 TIP3 18002 42.706 20.932 38.112 1.00 0.00 WAT +ATOM 60316 H2 TIP3 18002 43.707 19.920 38.637 1.00 0.00 WAT +ATOM 60317 OH2 TIP3 18003 38.646 17.171 32.346 1.00 0.00 WAT +ATOM 60318 H1 TIP3 18003 38.233 16.835 33.166 1.00 0.00 WAT +ATOM 60319 H2 TIP3 18003 37.874 17.363 31.798 1.00 0.00 WAT +ATOM 60320 OH2 TIP3 18004 32.100 17.192 39.389 1.00 0.00 WAT +ATOM 60321 H1 TIP3 18004 32.569 16.988 40.216 1.00 0.00 WAT +ATOM 60322 H2 TIP3 18004 32.508 16.609 38.732 1.00 0.00 WAT +ATOM 60323 OH2 TIP3 18005 33.602 17.475 35.124 1.00 0.00 WAT +ATOM 60324 H1 TIP3 18005 34.134 17.972 34.471 1.00 0.00 WAT +ATOM 60325 H2 TIP3 18005 32.898 18.121 35.320 1.00 0.00 WAT +ATOM 60326 OH2 TIP3 18006 40.447 16.965 39.856 1.00 0.00 WAT +ATOM 60327 H1 TIP3 18006 39.503 16.972 40.089 1.00 0.00 WAT +ATOM 60328 H2 TIP3 18006 40.855 16.984 40.733 1.00 0.00 WAT +ATOM 60329 OH2 TIP3 18007 35.114 18.336 38.517 1.00 0.00 WAT +ATOM 60330 H1 TIP3 18007 34.259 18.587 38.120 1.00 0.00 WAT +ATOM 60331 H2 TIP3 18007 35.352 17.529 38.026 1.00 0.00 WAT +ATOM 60332 OH2 TIP3 18008 38.744 18.603 36.176 1.00 0.00 WAT +ATOM 60333 H1 TIP3 18008 39.692 18.796 36.239 1.00 0.00 WAT +ATOM 60334 H2 TIP3 18008 38.426 19.217 35.489 1.00 0.00 WAT +ATOM 60335 OH2 TIP3 18009 37.229 19.880 33.982 1.00 0.00 WAT +ATOM 60336 H1 TIP3 18009 36.606 19.634 33.278 1.00 0.00 WAT +ATOM 60337 H2 TIP3 18009 38.035 20.042 33.464 1.00 0.00 WAT +ATOM 60338 OH2 TIP3 18010 41.307 19.437 41.520 1.00 0.00 WAT +ATOM 60339 H1 TIP3 18010 41.975 19.005 40.967 1.00 0.00 WAT +ATOM 60340 H2 TIP3 18010 41.503 19.062 42.395 1.00 0.00 WAT +ATOM 60341 OH2 TIP3 18011 36.851 16.039 37.844 1.00 0.00 WAT +ATOM 60342 H1 TIP3 18011 36.258 15.284 38.001 1.00 0.00 WAT +ATOM 60343 H2 TIP3 18011 37.634 15.615 37.473 1.00 0.00 WAT +ATOM 60344 OH2 TIP3 18012 40.689 24.371 35.851 1.00 0.00 WAT +ATOM 60345 H1 TIP3 18012 39.927 23.871 35.488 1.00 0.00 WAT +ATOM 60346 H2 TIP3 18012 40.472 24.437 36.808 1.00 0.00 WAT +ATOM 60347 OH2 TIP3 18013 35.633 23.553 41.733 1.00 0.00 WAT +ATOM 60348 H1 TIP3 18013 36.245 23.688 40.993 1.00 0.00 WAT +ATOM 60349 H2 TIP3 18013 36.086 22.853 42.229 1.00 0.00 WAT +ATOM 60350 OH2 TIP3 18014 42.871 25.741 34.825 1.00 0.00 WAT +ATOM 60351 H1 TIP3 18014 42.625 26.637 35.132 1.00 0.00 WAT +ATOM 60352 H2 TIP3 18014 42.100 25.229 35.148 1.00 0.00 WAT +ATOM 60353 OH2 TIP3 18015 38.160 27.127 38.652 1.00 0.00 WAT +ATOM 60354 H1 TIP3 18015 38.584 27.988 38.764 1.00 0.00 WAT +ATOM 60355 H2 TIP3 18015 37.224 27.357 38.669 1.00 0.00 WAT +ATOM 60356 OH2 TIP3 18016 34.154 21.953 33.499 1.00 0.00 WAT +ATOM 60357 H1 TIP3 18016 34.729 22.622 33.914 1.00 0.00 WAT +ATOM 60358 H2 TIP3 18016 33.280 22.202 33.857 1.00 0.00 WAT +ATOM 60359 OH2 TIP3 18017 39.940 24.819 38.566 1.00 0.00 WAT +ATOM 60360 H1 TIP3 18017 39.651 25.746 38.601 1.00 0.00 WAT +ATOM 60361 H2 TIP3 18017 39.159 24.358 38.913 1.00 0.00 WAT +ATOM 60362 OH2 TIP3 18018 38.601 30.082 37.918 1.00 0.00 WAT +ATOM 60363 H1 TIP3 18018 37.664 30.182 38.153 1.00 0.00 WAT +ATOM 60364 H2 TIP3 18018 38.990 30.884 38.319 1.00 0.00 WAT +ATOM 60365 OH2 TIP3 18019 39.932 27.331 32.031 1.00 0.00 WAT +ATOM 60366 H1 TIP3 18019 40.225 26.715 31.331 1.00 0.00 WAT +ATOM 60367 H2 TIP3 18019 39.600 26.705 32.691 1.00 0.00 WAT +ATOM 60368 OH2 TIP3 18020 38.756 26.770 34.838 1.00 0.00 WAT +ATOM 60369 H1 TIP3 18020 39.301 26.175 35.373 1.00 0.00 WAT +ATOM 60370 H2 TIP3 18020 39.115 27.637 35.068 1.00 0.00 WAT +ATOM 60371 OH2 TIP3 18021 35.649 24.144 35.040 1.00 0.00 WAT +ATOM 60372 H1 TIP3 18021 34.943 24.546 35.586 1.00 0.00 WAT +ATOM 60373 H2 TIP3 18021 36.153 24.929 34.773 1.00 0.00 WAT +ATOM 60374 OH2 TIP3 18022 41.701 28.317 35.214 1.00 0.00 WAT +ATOM 60375 H1 TIP3 18022 41.006 28.937 35.454 1.00 0.00 WAT +ATOM 60376 H2 TIP3 18022 42.120 28.743 34.453 1.00 0.00 WAT +ATOM 60377 OH2 TIP3 18023 41.412 17.947 37.259 1.00 0.00 WAT +ATOM 60378 H1 TIP3 18023 42.018 18.654 37.579 1.00 0.00 WAT +ATOM 60379 H2 TIP3 18023 41.006 17.721 38.115 1.00 0.00 WAT +ATOM 60380 OH2 TIP3 18024 41.909 15.045 38.437 1.00 0.00 WAT +ATOM 60381 H1 TIP3 18024 41.654 15.825 38.977 1.00 0.00 WAT +ATOM 60382 H2 TIP3 18024 42.710 15.377 37.993 1.00 0.00 WAT +ATOM 60383 OH2 TIP3 18025 38.901 29.890 35.133 1.00 0.00 WAT +ATOM 60384 H1 TIP3 18025 39.650 30.481 35.067 1.00 0.00 WAT +ATOM 60385 H2 TIP3 18025 38.743 29.886 36.103 1.00 0.00 WAT +ATOM 60386 OH2 TIP3 18026 37.687 16.097 34.716 1.00 0.00 WAT +ATOM 60387 H1 TIP3 18026 37.680 16.846 35.338 1.00 0.00 WAT +ATOM 60388 H2 TIP3 18026 38.491 15.620 34.983 1.00 0.00 WAT +ATOM 60389 OH2 TIP3 18027 36.112 27.009 33.785 1.00 0.00 WAT +ATOM 60390 H1 TIP3 18027 36.890 27.361 34.257 1.00 0.00 WAT +ATOM 60391 H2 TIP3 18027 36.570 26.465 33.123 1.00 0.00 WAT +ATOM 60392 OH2 TIP3 18028 34.243 19.154 32.929 1.00 0.00 WAT +ATOM 60393 H1 TIP3 18028 34.350 20.096 33.157 1.00 0.00 WAT +ATOM 60394 H2 TIP3 18028 33.364 19.142 32.532 1.00 0.00 WAT +ATOM 60395 OH2 TIP3 18029 35.159 14.134 41.704 1.00 0.00 WAT +ATOM 60396 H1 TIP3 18029 34.976 14.189 40.744 1.00 0.00 WAT +ATOM 60397 H2 TIP3 18029 34.733 13.302 41.952 1.00 0.00 WAT +ATOM 60398 OH2 TIP3 18030 34.007 27.653 37.946 1.00 0.00 WAT +ATOM 60399 H1 TIP3 18030 33.284 28.216 38.254 1.00 0.00 WAT +ATOM 60400 H2 TIP3 18030 34.444 28.209 37.285 1.00 0.00 WAT +ATOM 60401 OH2 TIP3 18031 42.278 28.867 32.424 1.00 0.00 WAT +ATOM 60402 H1 TIP3 18031 41.466 28.339 32.258 1.00 0.00 WAT +ATOM 60403 H2 TIP3 18031 42.934 28.207 32.139 1.00 0.00 WAT +ATOM 60404 OH2 TIP3 18032 37.575 24.712 32.336 1.00 0.00 WAT +ATOM 60405 H1 TIP3 18032 37.776 24.046 33.013 1.00 0.00 WAT +ATOM 60406 H2 TIP3 18032 38.384 24.652 31.778 1.00 0.00 WAT +ATOM 60407 OH2 TIP3 18033 42.608 26.001 31.884 1.00 0.00 WAT +ATOM 60408 H1 TIP3 18033 42.757 26.010 32.845 1.00 0.00 WAT +ATOM 60409 H2 TIP3 18033 42.419 25.063 31.721 1.00 0.00 WAT +ATOM 60410 OH2 TIP3 18034 38.717 22.693 34.622 1.00 0.00 WAT +ATOM 60411 H1 TIP3 18034 38.082 22.185 35.149 1.00 0.00 WAT +ATOM 60412 H2 TIP3 18034 39.015 22.020 33.979 1.00 0.00 WAT +ATOM 60413 OH2 TIP3 18035 39.790 20.697 32.884 1.00 0.00 WAT +ATOM 60414 H1 TIP3 18035 39.692 20.795 31.915 1.00 0.00 WAT +ATOM 60415 H2 TIP3 18035 40.736 20.878 32.993 1.00 0.00 WAT +ATOM 60416 OH2 TIP3 18036 33.330 26.406 33.446 1.00 0.00 WAT +ATOM 60417 H1 TIP3 18036 34.284 26.542 33.633 1.00 0.00 WAT +ATOM 60418 H2 TIP3 18036 33.341 25.570 32.933 1.00 0.00 WAT +ATOM 60419 OH2 TIP3 18037 32.381 31.440 38.101 1.00 0.00 WAT +ATOM 60420 H1 TIP3 18037 31.510 31.185 37.748 1.00 0.00 WAT +ATOM 60421 H2 TIP3 18037 32.441 30.867 38.893 1.00 0.00 WAT +ATOM 60422 OH2 TIP3 18038 32.739 29.551 40.183 1.00 0.00 WAT +ATOM 60423 H1 TIP3 18038 32.478 28.668 40.494 1.00 0.00 WAT +ATOM 60424 H2 TIP3 18038 33.014 29.923 41.043 1.00 0.00 WAT +ATOM 60425 OH2 TIP3 18039 32.797 22.569 42.621 1.00 0.00 WAT +ATOM 60426 H1 TIP3 18039 33.162 22.865 41.771 1.00 0.00 WAT +ATOM 60427 H2 TIP3 18039 33.589 22.556 43.186 1.00 0.00 WAT +ATOM 60428 OH2 TIP3 18040 33.551 16.745 41.927 1.00 0.00 WAT +ATOM 60429 H1 TIP3 18040 33.808 15.816 42.041 1.00 0.00 WAT +ATOM 60430 H2 TIP3 18040 34.122 17.167 42.577 1.00 0.00 WAT +ATOM 60431 OH2 TIP3 18041 31.966 19.591 43.038 1.00 0.00 WAT +ATOM 60432 H1 TIP3 18041 32.354 19.222 42.230 1.00 0.00 WAT +ATOM 60433 H2 TIP3 18041 32.232 20.528 42.968 1.00 0.00 WAT +ATOM 60434 OH2 TIP3 18042 32.510 15.614 36.936 1.00 0.00 WAT +ATOM 60435 H1 TIP3 18042 31.557 15.651 36.739 1.00 0.00 WAT +ATOM 60436 H2 TIP3 18042 32.896 16.227 36.280 1.00 0.00 WAT +ATOM 60437 OH2 TIP3 18043 34.175 29.937 42.609 1.00 0.00 WAT +ATOM 60438 H1 TIP3 18043 34.510 29.980 43.533 1.00 0.00 WAT +ATOM 60439 H2 TIP3 18043 35.018 29.738 42.153 1.00 0.00 WAT +ATOM 60440 OH2 TIP3 18044 36.396 29.041 41.118 1.00 0.00 WAT +ATOM 60441 H1 TIP3 18044 36.267 28.119 41.419 1.00 0.00 WAT +ATOM 60442 H2 TIP3 18044 37.290 29.232 41.479 1.00 0.00 WAT +ATOM 60443 OH2 TIP3 18045 38.999 29.503 42.126 1.00 0.00 WAT +ATOM 60444 H1 TIP3 18045 39.418 28.667 41.881 1.00 0.00 WAT +ATOM 60445 H2 TIP3 18045 39.211 29.540 43.068 1.00 0.00 WAT +ATOM 60446 OH2 TIP3 18046 42.679 15.211 41.334 1.00 0.00 WAT +ATOM 60447 H1 TIP3 18046 41.905 14.676 41.581 1.00 0.00 WAT +ATOM 60448 H2 TIP3 18046 42.979 14.756 40.542 1.00 0.00 WAT +ATOM 60449 OH2 TIP3 18047 34.818 14.168 38.861 1.00 0.00 WAT +ATOM 60450 H1 TIP3 18047 33.945 14.034 38.437 1.00 0.00 WAT +ATOM 60451 H2 TIP3 18047 35.221 13.291 38.732 1.00 0.00 WAT +ATOM 60452 OH2 TIP3 18048 33.636 13.640 34.772 1.00 0.00 WAT +ATOM 60453 H1 TIP3 18048 34.113 14.317 34.258 1.00 0.00 WAT +ATOM 60454 H2 TIP3 18048 33.203 14.170 35.461 1.00 0.00 WAT +ATOM 60455 OH2 TIP3 18049 39.349 13.932 38.852 1.00 0.00 WAT +ATOM 60456 H1 TIP3 18049 40.259 14.267 38.744 1.00 0.00 WAT +ATOM 60457 H2 TIP3 18049 39.309 13.846 39.814 1.00 0.00 WAT +ATOM 60458 OH2 TIP3 18050 33.808 29.603 35.833 1.00 0.00 WAT +ATOM 60459 H1 TIP3 18050 33.105 29.470 35.192 1.00 0.00 WAT +ATOM 60460 H2 TIP3 18050 33.708 30.540 36.055 1.00 0.00 WAT +ATOM 60461 OH2 TIP3 18051 35.326 15.476 33.187 1.00 0.00 WAT +ATOM 60462 H1 TIP3 18051 35.940 14.911 32.688 1.00 0.00 WAT +ATOM 60463 H2 TIP3 18051 35.911 15.812 33.893 1.00 0.00 WAT +ATOM 60464 OH2 TIP3 18052 40.676 15.655 35.771 1.00 0.00 WAT +ATOM 60465 H1 TIP3 18052 40.676 15.057 36.533 1.00 0.00 WAT +ATOM 60466 H2 TIP3 18052 40.577 16.521 36.204 1.00 0.00 WAT +ATOM 60467 OH2 TIP3 18053 42.315 31.381 33.915 1.00 0.00 WAT +ATOM 60468 H1 TIP3 18053 43.225 31.734 33.907 1.00 0.00 WAT +ATOM 60469 H2 TIP3 18053 42.366 30.677 33.240 1.00 0.00 WAT +ATOM 60470 OH2 TIP3 18054 35.300 30.624 32.760 1.00 0.00 WAT +ATOM 60471 H1 TIP3 18054 35.008 30.772 33.670 1.00 0.00 WAT +ATOM 60472 H2 TIP3 18054 35.901 29.870 32.861 1.00 0.00 WAT +ATOM 60473 OH2 TIP3 18055 -31.621 41.925 38.950 1.00 0.00 WAT +ATOM 60474 H1 TIP3 18055 -31.800 42.862 39.143 1.00 0.00 WAT +ATOM 60475 H2 TIP3 18055 -32.389 41.676 38.418 1.00 0.00 WAT +ATOM 60476 OH2 TIP3 18056 -33.010 41.195 42.515 1.00 0.00 WAT +ATOM 60477 H1 TIP3 18056 -32.770 40.452 43.084 1.00 0.00 WAT +ATOM 60478 H2 TIP3 18056 -32.857 40.858 41.627 1.00 0.00 WAT +ATOM 60479 OH2 TIP3 18057 -42.162 39.045 36.645 1.00 0.00 WAT +ATOM 60480 H1 TIP3 18057 -42.447 39.901 36.986 1.00 0.00 WAT +ATOM 60481 H2 TIP3 18057 -43.004 38.583 36.556 1.00 0.00 WAT +ATOM 60482 OH2 TIP3 18058 -41.936 41.182 39.585 1.00 0.00 WAT +ATOM 60483 H1 TIP3 18058 -41.848 40.461 40.230 1.00 0.00 WAT +ATOM 60484 H2 TIP3 18058 -41.017 41.286 39.321 1.00 0.00 WAT +ATOM 60485 OH2 TIP3 18059 -31.186 38.169 43.225 1.00 0.00 WAT +ATOM 60486 H1 TIP3 18059 -30.746 37.324 43.419 1.00 0.00 WAT +ATOM 60487 H2 TIP3 18059 -31.109 38.228 42.255 1.00 0.00 WAT +ATOM 60488 OH2 TIP3 18060 -38.003 36.012 40.380 1.00 0.00 WAT +ATOM 60489 H1 TIP3 18060 -37.883 36.883 39.965 1.00 0.00 WAT +ATOM 60490 H2 TIP3 18060 -38.397 35.504 39.649 1.00 0.00 WAT +ATOM 60491 OH2 TIP3 18061 -30.173 36.227 38.645 1.00 0.00 WAT +ATOM 60492 H1 TIP3 18061 -29.648 35.833 39.385 1.00 0.00 WAT +ATOM 60493 H2 TIP3 18061 -29.466 36.683 38.168 1.00 0.00 WAT +ATOM 60494 OH2 TIP3 18062 -41.212 38.720 40.959 1.00 0.00 WAT +ATOM 60495 H1 TIP3 18062 -40.819 38.215 41.683 1.00 0.00 WAT +ATOM 60496 H2 TIP3 18062 -41.048 38.126 40.204 1.00 0.00 WAT +ATOM 60497 OH2 TIP3 18063 -36.007 40.128 40.584 1.00 0.00 WAT +ATOM 60498 H1 TIP3 18063 -35.283 39.536 40.862 1.00 0.00 WAT +ATOM 60499 H2 TIP3 18063 -36.497 39.553 39.966 1.00 0.00 WAT +ATOM 60500 OH2 TIP3 18064 -28.427 35.653 40.665 1.00 0.00 WAT +ATOM 60501 H1 TIP3 18064 -28.437 34.751 41.067 1.00 0.00 WAT +ATOM 60502 H2 TIP3 18064 -27.912 36.119 41.345 1.00 0.00 WAT +ATOM 60503 OH2 TIP3 18065 -38.626 37.107 42.963 1.00 0.00 WAT +ATOM 60504 H1 TIP3 18065 -39.091 37.928 42.780 1.00 0.00 WAT +ATOM 60505 H2 TIP3 18065 -38.932 36.505 42.262 1.00 0.00 WAT +ATOM 60506 OH2 TIP3 18066 -35.080 32.401 41.780 1.00 0.00 WAT +ATOM 60507 H1 TIP3 18066 -35.168 31.435 41.833 1.00 0.00 WAT +ATOM 60508 H2 TIP3 18066 -35.918 32.691 42.201 1.00 0.00 WAT +ATOM 60509 OH2 TIP3 18067 -33.088 41.436 36.365 1.00 0.00 WAT +ATOM 60510 H1 TIP3 18067 -33.722 41.799 35.734 1.00 0.00 WAT +ATOM 60511 H2 TIP3 18067 -32.305 41.333 35.797 1.00 0.00 WAT +ATOM 60512 OH2 TIP3 18068 -32.669 39.432 33.532 1.00 0.00 WAT +ATOM 60513 H1 TIP3 18068 -31.946 39.784 34.083 1.00 0.00 WAT +ATOM 60514 H2 TIP3 18068 -32.169 38.919 32.883 1.00 0.00 WAT +ATOM 60515 OH2 TIP3 18069 -29.366 41.411 37.377 1.00 0.00 WAT +ATOM 60516 H1 TIP3 18069 -30.026 41.622 38.070 1.00 0.00 WAT +ATOM 60517 H2 TIP3 18069 -28.707 40.904 37.886 1.00 0.00 WAT +ATOM 60518 OH2 TIP3 18070 -37.936 42.108 39.340 1.00 0.00 WAT +ATOM 60519 H1 TIP3 18070 -38.069 41.818 38.421 1.00 0.00 WAT +ATOM 60520 H2 TIP3 18070 -37.123 41.633 39.579 1.00 0.00 WAT +ATOM 60521 OH2 TIP3 18071 -37.658 41.036 42.814 1.00 0.00 WAT +ATOM 60522 H1 TIP3 18071 -36.965 40.798 42.171 1.00 0.00 WAT +ATOM 60523 H2 TIP3 18071 -37.151 41.360 43.569 1.00 0.00 WAT +ATOM 60524 OH2 TIP3 18072 -30.553 40.731 35.015 1.00 0.00 WAT +ATOM 60525 H1 TIP3 18072 -29.994 41.011 35.777 1.00 0.00 WAT +ATOM 60526 H2 TIP3 18072 -30.084 41.189 34.271 1.00 0.00 WAT +ATOM 60527 OH2 TIP3 18073 -27.057 32.463 34.430 1.00 0.00 WAT +ATOM 60528 H1 TIP3 18073 -27.928 32.562 34.860 1.00 0.00 WAT +ATOM 60529 H2 TIP3 18073 -26.700 33.363 34.502 1.00 0.00 WAT +ATOM 60530 OH2 TIP3 18074 -38.989 40.888 36.821 1.00 0.00 WAT +ATOM 60531 H1 TIP3 18074 -39.137 41.652 36.225 1.00 0.00 WAT +ATOM 60532 H2 TIP3 18074 -39.594 40.223 36.466 1.00 0.00 WAT +ATOM 60533 OH2 TIP3 18075 -37.472 33.304 42.843 1.00 0.00 WAT +ATOM 60534 H1 TIP3 18075 -38.341 33.076 42.458 1.00 0.00 WAT +ATOM 60535 H2 TIP3 18075 -37.644 34.207 43.154 1.00 0.00 WAT +ATOM 60536 OH2 TIP3 18076 -29.161 41.758 32.952 1.00 0.00 WAT +ATOM 60537 H1 TIP3 18076 -29.213 41.590 31.995 1.00 0.00 WAT +ATOM 60538 H2 TIP3 18076 -28.275 42.161 33.028 1.00 0.00 WAT +ATOM 60539 OH2 TIP3 18077 -33.286 35.569 33.447 1.00 0.00 WAT +ATOM 60540 H1 TIP3 18077 -33.783 35.461 34.272 1.00 0.00 WAT +ATOM 60541 H2 TIP3 18077 -33.709 34.890 32.894 1.00 0.00 WAT +ATOM 60542 OH2 TIP3 18078 -37.677 38.363 38.821 1.00 0.00 WAT +ATOM 60543 H1 TIP3 18078 -38.634 38.303 38.651 1.00 0.00 WAT +ATOM 60544 H2 TIP3 18078 -37.324 38.148 37.937 1.00 0.00 WAT +ATOM 60545 OH2 TIP3 18079 -32.065 38.977 37.639 1.00 0.00 WAT +ATOM 60546 H1 TIP3 18079 -32.514 39.748 37.247 1.00 0.00 WAT +ATOM 60547 H2 TIP3 18079 -31.387 38.782 36.971 1.00 0.00 WAT +ATOM 60548 OH2 TIP3 18080 -31.283 38.322 40.423 1.00 0.00 WAT +ATOM 60549 H1 TIP3 18080 -31.537 38.859 39.647 1.00 0.00 WAT +ATOM 60550 H2 TIP3 18080 -31.049 37.488 39.969 1.00 0.00 WAT +ATOM 60551 OH2 TIP3 18081 -36.851 35.980 32.358 1.00 0.00 WAT +ATOM 60552 H1 TIP3 18081 -37.230 35.647 33.195 1.00 0.00 WAT +ATOM 60553 H2 TIP3 18081 -37.639 36.210 31.851 1.00 0.00 WAT +ATOM 60554 OH2 TIP3 18082 -43.183 36.044 39.301 1.00 0.00 WAT +ATOM 60555 H1 TIP3 18082 -43.069 35.899 40.258 1.00 0.00 WAT +ATOM 60556 H2 TIP3 18082 -42.668 35.315 38.950 1.00 0.00 WAT +ATOM 60557 OH2 TIP3 18083 -42.117 36.418 35.185 1.00 0.00 WAT +ATOM 60558 H1 TIP3 18083 -41.481 36.735 34.516 1.00 0.00 WAT +ATOM 60559 H2 TIP3 18083 -42.830 37.048 35.053 1.00 0.00 WAT +ATOM 60560 OH2 TIP3 18084 -34.995 35.988 39.835 1.00 0.00 WAT +ATOM 60561 H1 TIP3 18084 -35.922 35.884 40.117 1.00 0.00 WAT +ATOM 60562 H2 TIP3 18084 -34.519 35.717 40.638 1.00 0.00 WAT +ATOM 60563 OH2 TIP3 18085 -40.404 37.215 38.474 1.00 0.00 WAT +ATOM 60564 H1 TIP3 18085 -41.142 37.359 37.863 1.00 0.00 WAT +ATOM 60565 H2 TIP3 18085 -40.026 36.379 38.140 1.00 0.00 WAT +ATOM 60566 OH2 TIP3 18086 -36.712 37.479 36.193 1.00 0.00 WAT +ATOM 60567 H1 TIP3 18086 -35.746 37.574 36.274 1.00 0.00 WAT +ATOM 60568 H2 TIP3 18086 -36.951 38.104 35.487 1.00 0.00 WAT +ATOM 60569 OH2 TIP3 18087 -30.571 34.602 42.822 1.00 0.00 WAT +ATOM 60570 H1 TIP3 18087 -30.931 34.947 43.651 1.00 0.00 WAT +ATOM 60571 H2 TIP3 18087 -31.305 34.678 42.198 1.00 0.00 WAT +ATOM 60572 OH2 TIP3 18088 -38.250 38.780 33.987 1.00 0.00 WAT +ATOM 60573 H1 TIP3 18088 -38.818 38.458 33.270 1.00 0.00 WAT +ATOM 60574 H2 TIP3 18088 -37.427 38.961 33.496 1.00 0.00 WAT +ATOM 60575 OH2 TIP3 18089 -34.035 38.333 41.890 1.00 0.00 WAT +ATOM 60576 H1 TIP3 18089 -33.284 38.035 41.354 1.00 0.00 WAT +ATOM 60577 H2 TIP3 18089 -33.992 37.716 42.635 1.00 0.00 WAT +ATOM 60578 OH2 TIP3 18090 -38.745 34.870 37.886 1.00 0.00 WAT +ATOM 60579 H1 TIP3 18090 -39.146 34.000 38.010 1.00 0.00 WAT +ATOM 60580 H2 TIP3 18090 -37.900 34.642 37.473 1.00 0.00 WAT +ATOM 60581 OH2 TIP3 18091 -35.230 43.657 36.051 1.00 0.00 WAT +ATOM 60582 H1 TIP3 18091 -35.596 42.981 35.451 1.00 0.00 WAT +ATOM 60583 H2 TIP3 18091 -34.688 43.172 36.679 1.00 0.00 WAT +ATOM 60584 OH2 TIP3 18092 -30.605 36.191 33.542 1.00 0.00 WAT +ATOM 60585 H1 TIP3 18092 -31.588 36.139 33.548 1.00 0.00 WAT +ATOM 60586 H2 TIP3 18092 -30.415 36.876 34.216 1.00 0.00 WAT +ATOM 60587 OH2 TIP3 18093 -29.934 37.963 35.634 1.00 0.00 WAT +ATOM 60588 H1 TIP3 18093 -29.070 37.806 36.064 1.00 0.00 WAT +ATOM 60589 H2 TIP3 18093 -29.822 38.854 35.259 1.00 0.00 WAT +ATOM 60590 OH2 TIP3 18094 -39.678 42.128 41.481 1.00 0.00 WAT +ATOM 60591 H1 TIP3 18094 -38.995 42.311 40.801 1.00 0.00 WAT +ATOM 60592 H2 TIP3 18094 -39.107 41.616 42.098 1.00 0.00 WAT +ATOM 60593 OH2 TIP3 18095 -25.343 37.962 35.370 1.00 0.00 WAT +ATOM 60594 H1 TIP3 18095 -25.913 37.791 34.594 1.00 0.00 WAT +ATOM 60595 H2 TIP3 18095 -25.219 38.923 35.255 1.00 0.00 WAT +ATOM 60596 OH2 TIP3 18096 -30.223 42.163 42.213 1.00 0.00 WAT +ATOM 60597 H1 TIP3 18096 -30.945 41.846 42.773 1.00 0.00 WAT +ATOM 60598 H2 TIP3 18096 -29.702 41.364 42.018 1.00 0.00 WAT +ATOM 60599 OH2 TIP3 18097 -41.659 40.932 33.705 1.00 0.00 WAT +ATOM 60600 H1 TIP3 18097 -40.877 41.434 33.988 1.00 0.00 WAT +ATOM 60601 H2 TIP3 18097 -42.316 41.646 33.709 1.00 0.00 WAT +ATOM 60602 OH2 TIP3 18098 -39.582 -43.912 35.249 1.00 0.00 WAT +ATOM 60603 H1 TIP3 18098 -40.506 -43.586 35.276 1.00 0.00 WAT +ATOM 60604 H2 TIP3 18098 -39.113 -43.098 35.014 1.00 0.00 WAT +ATOM 60605 OH2 TIP3 18099 -31.426 34.912 36.318 1.00 0.00 WAT +ATOM 60606 H1 TIP3 18099 -31.270 35.489 35.557 1.00 0.00 WAT +ATOM 60607 H2 TIP3 18099 -31.013 35.415 37.043 1.00 0.00 WAT +ATOM 60608 OH2 TIP3 18100 -34.052 36.944 37.267 1.00 0.00 WAT +ATOM 60609 H1 TIP3 18100 -33.276 37.508 37.452 1.00 0.00 WAT +ATOM 60610 H2 TIP3 18100 -34.356 36.725 38.171 1.00 0.00 WAT +ATOM 60611 OH2 TIP3 18101 -33.514 33.933 38.164 1.00 0.00 WAT +ATOM 60612 H1 TIP3 18101 -33.615 34.529 38.928 1.00 0.00 WAT +ATOM 60613 H2 TIP3 18101 -32.725 34.316 37.735 1.00 0.00 WAT +ATOM 60614 OH2 TIP3 18102 -37.737 34.955 34.787 1.00 0.00 WAT +ATOM 60615 H1 TIP3 18102 -37.672 35.748 35.347 1.00 0.00 WAT +ATOM 60616 H2 TIP3 18102 -36.925 34.476 35.051 1.00 0.00 WAT +ATOM 60617 OH2 TIP3 18103 -28.949 39.699 41.339 1.00 0.00 WAT +ATOM 60618 H1 TIP3 18103 -29.736 39.201 41.065 1.00 0.00 WAT +ATOM 60619 H2 TIP3 18103 -28.374 38.981 41.698 1.00 0.00 WAT +ATOM 60620 OH2 TIP3 18104 -41.175 37.971 32.979 1.00 0.00 WAT +ATOM 60621 H1 TIP3 18104 -41.054 38.908 33.187 1.00 0.00 WAT +ATOM 60622 H2 TIP3 18104 -41.987 37.943 32.467 1.00 0.00 WAT +ATOM 60623 OH2 TIP3 18105 -40.128 32.691 41.611 1.00 0.00 WAT +ATOM 60624 H1 TIP3 18105 -40.626 32.966 40.828 1.00 0.00 WAT +ATOM 60625 H2 TIP3 18105 -40.796 32.266 42.167 1.00 0.00 WAT +ATOM 60626 OH2 TIP3 18106 -36.594 41.605 34.587 1.00 0.00 WAT +ATOM 60627 H1 TIP3 18106 -37.275 41.200 35.137 1.00 0.00 WAT +ATOM 60628 H2 TIP3 18106 -36.459 40.927 33.897 1.00 0.00 WAT +ATOM 60629 OH2 TIP3 18107 -35.784 39.559 32.830 1.00 0.00 WAT +ATOM 60630 H1 TIP3 18107 -35.810 39.718 31.867 1.00 0.00 WAT +ATOM 60631 H2 TIP3 18107 -34.825 39.564 33.001 1.00 0.00 WAT +ATOM 60632 OH2 TIP3 18108 -26.476 41.891 32.057 1.00 0.00 WAT +ATOM 60633 H1 TIP3 18108 -26.583 41.847 31.094 1.00 0.00 WAT +ATOM 60634 H2 TIP3 18108 -26.460 42.850 32.248 1.00 0.00 WAT +ATOM 60635 OH2 TIP3 18109 -25.689 43.584 36.423 1.00 0.00 WAT +ATOM 60636 H1 TIP3 18109 -24.729 43.621 36.334 1.00 0.00 WAT +ATOM 60637 H2 TIP3 18109 -25.840 42.785 36.952 1.00 0.00 WAT +ATOM 60638 OH2 TIP3 18110 -25.283 41.320 38.118 1.00 0.00 WAT +ATOM 60639 H1 TIP3 18110 -26.078 40.910 38.511 1.00 0.00 WAT +ATOM 60640 H2 TIP3 18110 -24.733 41.507 38.903 1.00 0.00 WAT +ATOM 60641 OH2 TIP3 18111 -25.119 40.939 34.613 1.00 0.00 WAT +ATOM 60642 H1 TIP3 18111 -25.758 41.169 33.912 1.00 0.00 WAT +ATOM 60643 H2 TIP3 18111 -25.262 41.661 35.239 1.00 0.00 WAT +ATOM 60644 OH2 TIP3 18112 -26.857 38.427 32.952 1.00 0.00 WAT +ATOM 60645 H1 TIP3 18112 -26.663 39.069 32.255 1.00 0.00 WAT +ATOM 60646 H2 TIP3 18112 -27.094 37.623 32.451 1.00 0.00 WAT +ATOM 60647 OH2 TIP3 18113 -27.590 39.657 38.851 1.00 0.00 WAT +ATOM 60648 H1 TIP3 18113 -27.598 38.693 38.738 1.00 0.00 WAT +ATOM 60649 H2 TIP3 18113 -27.913 39.755 39.769 1.00 0.00 WAT +ATOM 60650 OH2 TIP3 18114 -42.353 41.709 42.802 1.00 0.00 WAT +ATOM 60651 H1 TIP3 18114 -42.196 41.880 41.864 1.00 0.00 WAT +ATOM 60652 H2 TIP3 18114 -41.458 41.516 43.111 1.00 0.00 WAT +ATOM 60653 OH2 TIP3 18115 -27.386 35.766 32.122 1.00 0.00 WAT +ATOM 60654 H1 TIP3 18115 -26.817 35.299 32.762 1.00 0.00 WAT +ATOM 60655 H2 TIP3 18115 -28.207 35.254 32.126 1.00 0.00 WAT +ATOM 60656 OH2 TIP3 18116 -27.585 37.070 37.088 1.00 0.00 WAT +ATOM 60657 H1 TIP3 18116 -27.350 36.122 37.172 1.00 0.00 WAT +ATOM 60658 H2 TIP3 18116 -26.767 37.420 36.694 1.00 0.00 WAT +ATOM 60659 OH2 TIP3 18117 -27.342 37.780 42.223 1.00 0.00 WAT +ATOM 60660 H1 TIP3 18117 -26.390 37.722 42.403 1.00 0.00 WAT +ATOM 60661 H2 TIP3 18117 -27.733 37.476 43.063 1.00 0.00 WAT +ATOM 60662 OH2 TIP3 18118 -27.113 34.262 37.064 1.00 0.00 WAT +ATOM 60663 H1 TIP3 18118 -27.026 33.960 37.987 1.00 0.00 WAT +ATOM 60664 H2 TIP3 18118 -27.923 33.788 36.784 1.00 0.00 WAT +ATOM 60665 OH2 TIP3 18119 -41.659 35.735 41.926 1.00 0.00 WAT +ATOM 60666 H1 TIP3 18119 -41.867 34.835 42.219 1.00 0.00 WAT +ATOM 60667 H2 TIP3 18119 -41.107 36.009 42.668 1.00 0.00 WAT +ATOM 60668 OH2 TIP3 18120 -43.520 38.251 43.150 1.00 0.00 WAT +ATOM 60669 H1 TIP3 18120 -43.057 37.833 42.413 1.00 0.00 WAT +ATOM 60670 H2 TIP3 18120 -43.081 39.108 43.215 1.00 0.00 WAT +ATOM 60671 OH2 TIP3 18121 -25.165 34.761 33.730 1.00 0.00 WAT +ATOM 60672 H1 TIP3 18121 -24.841 33.955 33.294 1.00 0.00 WAT +ATOM 60673 H2 TIP3 18121 -24.351 35.279 33.834 1.00 0.00 WAT +ATOM 60674 OH2 TIP3 18122 -43.116 34.249 36.427 1.00 0.00 WAT +ATOM 60675 H1 TIP3 18122 -43.968 34.682 36.292 1.00 0.00 WAT +ATOM 60676 H2 TIP3 18122 -42.521 34.967 36.109 1.00 0.00 WAT +ATOM 60677 OH2 TIP3 18123 -33.006 34.391 41.242 1.00 0.00 WAT +ATOM 60678 H1 TIP3 18123 -33.601 33.671 41.534 1.00 0.00 WAT +ATOM 60679 H2 TIP3 18123 -32.312 33.888 40.769 1.00 0.00 WAT +ATOM 60680 OH2 TIP3 18124 -28.057 33.129 41.471 1.00 0.00 WAT +ATOM 60681 H1 TIP3 18124 -27.220 32.682 41.304 1.00 0.00 WAT +ATOM 60682 H2 TIP3 18124 -28.744 32.494 41.251 1.00 0.00 WAT +ATOM 60683 OH2 TIP3 18125 -25.870 33.405 39.556 1.00 0.00 WAT +ATOM 60684 H1 TIP3 18125 -25.120 33.057 39.047 1.00 0.00 WAT +ATOM 60685 H2 TIP3 18125 -25.608 34.327 39.736 1.00 0.00 WAT +ATOM 60686 OH2 TIP3 18126 -41.119 32.913 38.805 1.00 0.00 WAT +ATOM 60687 H1 TIP3 18126 -41.796 32.488 38.270 1.00 0.00 WAT +ATOM 60688 H2 TIP3 18126 -40.435 32.222 38.829 1.00 0.00 WAT +ATOM 60689 OH2 TIP3 18127 -41.979 32.463 34.625 1.00 0.00 WAT +ATOM 60690 H1 TIP3 18127 -41.388 33.079 34.147 1.00 0.00 WAT +ATOM 60691 H2 TIP3 18127 -42.366 33.071 35.288 1.00 0.00 WAT +ATOM 60692 OH2 TIP3 18128 -36.120 32.765 38.903 1.00 0.00 WAT +ATOM 60693 H1 TIP3 18128 -35.235 33.128 38.737 1.00 0.00 WAT +ATOM 60694 H2 TIP3 18128 -36.116 32.701 39.870 1.00 0.00 WAT +ATOM 60695 OH2 TIP3 18129 -30.814 32.928 39.977 1.00 0.00 WAT +ATOM 60696 H1 TIP3 18129 -30.295 32.671 39.208 1.00 0.00 WAT +ATOM 60697 H2 TIP3 18129 -30.990 32.078 40.411 1.00 0.00 WAT +ATOM 60698 OH2 TIP3 18130 -29.438 32.869 36.140 1.00 0.00 WAT +ATOM 60699 H1 TIP3 18130 -30.252 33.405 36.054 1.00 0.00 WAT +ATOM 60700 H2 TIP3 18130 -29.814 31.987 36.307 1.00 0.00 WAT +ATOM 60701 OH2 TIP3 18131 -40.071 34.325 33.236 1.00 0.00 WAT +ATOM 60702 H1 TIP3 18131 -39.464 33.791 32.698 1.00 0.00 WAT +ATOM 60703 H2 TIP3 18131 -39.463 34.658 33.925 1.00 0.00 WAT +ATOM 60704 OH2 TIP3 18132 -35.002 34.500 35.829 1.00 0.00 WAT +ATOM 60705 H1 TIP3 18132 -34.625 33.948 36.536 1.00 0.00 WAT +ATOM 60706 H2 TIP3 18132 -34.804 35.377 36.194 1.00 0.00 WAT +ATOM 60707 OH2 TIP3 18133 -14.213 41.153 42.439 1.00 0.00 WAT +ATOM 60708 H1 TIP3 18133 -13.851 40.480 43.030 1.00 0.00 WAT +ATOM 60709 H2 TIP3 18133 -13.969 40.833 41.559 1.00 0.00 WAT +ATOM 60710 OH2 TIP3 18134 -23.750 38.877 37.761 1.00 0.00 WAT +ATOM 60711 H1 TIP3 18134 -24.209 39.729 37.875 1.00 0.00 WAT +ATOM 60712 H2 TIP3 18134 -24.465 38.314 37.445 1.00 0.00 WAT +ATOM 60713 OH2 TIP3 18135 -22.868 41.287 39.730 1.00 0.00 WAT +ATOM 60714 H1 TIP3 18135 -22.833 40.542 40.359 1.00 0.00 WAT +ATOM 60715 H2 TIP3 18135 -22.053 41.125 39.243 1.00 0.00 WAT +ATOM 60716 OH2 TIP3 18136 -12.522 38.122 42.987 1.00 0.00 WAT +ATOM 60717 H1 TIP3 18136 -11.960 37.381 43.272 1.00 0.00 WAT +ATOM 60718 H2 TIP3 18136 -12.212 38.308 42.084 1.00 0.00 WAT +ATOM 60719 OH2 TIP3 18137 -18.809 35.960 40.365 1.00 0.00 WAT +ATOM 60720 H1 TIP3 18137 -18.661 36.846 39.990 1.00 0.00 WAT +ATOM 60721 H2 TIP3 18137 -19.268 35.524 39.624 1.00 0.00 WAT +ATOM 60722 OH2 TIP3 18138 -11.303 35.928 38.505 1.00 0.00 WAT +ATOM 60723 H1 TIP3 18138 -10.818 35.788 39.344 1.00 0.00 WAT +ATOM 60724 H2 TIP3 18138 -11.128 36.869 38.364 1.00 0.00 WAT +ATOM 60725 OH2 TIP3 18139 -22.240 38.700 41.006 1.00 0.00 WAT +ATOM 60726 H1 TIP3 18139 -21.820 38.086 41.616 1.00 0.00 WAT +ATOM 60727 H2 TIP3 18139 -22.211 38.202 40.171 1.00 0.00 WAT +ATOM 60728 OH2 TIP3 18140 -17.168 40.124 40.635 1.00 0.00 WAT +ATOM 60729 H1 TIP3 18140 -16.379 39.579 40.814 1.00 0.00 WAT +ATOM 60730 H2 TIP3 18140 -17.633 39.576 39.977 1.00 0.00 WAT +ATOM 60731 OH2 TIP3 18141 -9.577 35.507 40.731 1.00 0.00 WAT +ATOM 60732 H1 TIP3 18141 -9.570 34.714 41.294 1.00 0.00 WAT +ATOM 60733 H2 TIP3 18141 -9.054 36.112 41.295 1.00 0.00 WAT +ATOM 60734 OH2 TIP3 18142 -20.014 36.874 42.820 1.00 0.00 WAT +ATOM 60735 H1 TIP3 18142 -20.011 37.828 42.685 1.00 0.00 WAT +ATOM 60736 H2 TIP3 18142 -19.915 36.508 41.922 1.00 0.00 WAT +ATOM 60737 OH2 TIP3 18143 -16.226 32.538 41.472 1.00 0.00 WAT +ATOM 60738 H1 TIP3 18143 -16.042 31.618 41.727 1.00 0.00 WAT +ATOM 60739 H2 TIP3 18143 -16.947 32.759 42.102 1.00 0.00 WAT +ATOM 60740 OH2 TIP3 18144 -14.446 40.953 35.963 1.00 0.00 WAT +ATOM 60741 H1 TIP3 18144 -14.825 41.858 35.966 1.00 0.00 WAT +ATOM 60742 H2 TIP3 18144 -13.516 41.111 36.145 1.00 0.00 WAT +ATOM 60743 OH2 TIP3 18145 -13.711 39.436 33.282 1.00 0.00 WAT +ATOM 60744 H1 TIP3 18145 -13.423 39.824 34.135 1.00 0.00 WAT +ATOM 60745 H2 TIP3 18145 -12.877 39.098 32.970 1.00 0.00 WAT +ATOM 60746 OH2 TIP3 18146 -10.599 41.561 37.405 1.00 0.00 WAT +ATOM 60747 H1 TIP3 18146 -11.233 41.719 38.116 1.00 0.00 WAT +ATOM 60748 H2 TIP3 18146 -9.939 41.017 37.869 1.00 0.00 WAT +ATOM 60749 OH2 TIP3 18147 -19.144 42.069 39.363 1.00 0.00 WAT +ATOM 60750 H1 TIP3 18147 -19.223 41.803 38.431 1.00 0.00 WAT +ATOM 60751 H2 TIP3 18147 -18.268 41.719 39.594 1.00 0.00 WAT +ATOM 60752 OH2 TIP3 18148 -18.775 40.846 42.858 1.00 0.00 WAT +ATOM 60753 H1 TIP3 18148 -18.114 40.808 42.139 1.00 0.00 WAT +ATOM 60754 H2 TIP3 18148 -18.375 41.451 43.496 1.00 0.00 WAT +ATOM 60755 OH2 TIP3 18149 -11.503 40.505 35.031 1.00 0.00 WAT +ATOM 60756 H1 TIP3 18149 -11.099 40.882 35.845 1.00 0.00 WAT +ATOM 60757 H2 TIP3 18149 -11.093 41.080 34.345 1.00 0.00 WAT +ATOM 60758 OH2 TIP3 18150 -8.215 32.476 34.427 1.00 0.00 WAT +ATOM 60759 H1 TIP3 18150 -9.063 32.578 34.898 1.00 0.00 WAT +ATOM 60760 H2 TIP3 18150 -7.838 33.368 34.503 1.00 0.00 WAT +ATOM 60761 OH2 TIP3 18151 -20.088 40.878 36.780 1.00 0.00 WAT +ATOM 60762 H1 TIP3 18151 -20.263 41.669 36.228 1.00 0.00 WAT +ATOM 60763 H2 TIP3 18151 -20.760 40.258 36.475 1.00 0.00 WAT +ATOM 60764 OH2 TIP3 18152 -18.597 33.297 42.856 1.00 0.00 WAT +ATOM 60765 H1 TIP3 18152 -19.474 33.190 42.450 1.00 0.00 WAT +ATOM 60766 H2 TIP3 18152 -18.579 34.243 43.097 1.00 0.00 WAT +ATOM 60767 OH2 TIP3 18153 -10.347 41.816 32.931 1.00 0.00 WAT +ATOM 60768 H1 TIP3 18153 -10.267 41.521 32.011 1.00 0.00 WAT +ATOM 60769 H2 TIP3 18153 -9.468 42.213 33.092 1.00 0.00 WAT +ATOM 60770 OH2 TIP3 18154 -14.275 35.556 33.326 1.00 0.00 WAT +ATOM 60771 H1 TIP3 18154 -14.627 35.567 34.228 1.00 0.00 WAT +ATOM 60772 H2 TIP3 18154 -14.777 34.812 32.938 1.00 0.00 WAT +ATOM 60773 OH2 TIP3 18155 -18.787 38.362 38.829 1.00 0.00 WAT +ATOM 60774 H1 TIP3 18155 -19.750 38.274 38.698 1.00 0.00 WAT +ATOM 60775 H2 TIP3 18155 -18.466 38.203 37.926 1.00 0.00 WAT +ATOM 60776 OH2 TIP3 18156 -17.866 36.003 32.337 1.00 0.00 WAT +ATOM 60777 H1 TIP3 18156 -18.292 35.686 33.156 1.00 0.00 WAT +ATOM 60778 H2 TIP3 18156 -18.628 36.231 31.788 1.00 0.00 WAT +ATOM 60779 OH2 TIP3 18157 -24.511 35.986 39.407 1.00 0.00 WAT +ATOM 60780 H1 TIP3 18157 -23.982 35.892 40.220 1.00 0.00 WAT +ATOM 60781 H2 TIP3 18157 -24.014 35.486 38.745 1.00 0.00 WAT +ATOM 60782 OH2 TIP3 18158 -22.976 36.332 35.132 1.00 0.00 WAT +ATOM 60783 H1 TIP3 18158 -22.438 36.822 34.477 1.00 0.00 WAT +ATOM 60784 H2 TIP3 18158 -23.674 36.985 35.320 1.00 0.00 WAT +ATOM 60785 OH2 TIP3 18159 -21.469 37.160 38.565 1.00 0.00 WAT +ATOM 60786 H1 TIP3 18159 -22.290 37.451 38.130 1.00 0.00 WAT +ATOM 60787 H2 TIP3 18159 -21.213 36.371 38.059 1.00 0.00 WAT +ATOM 60788 OH2 TIP3 18160 -17.718 37.454 36.166 1.00 0.00 WAT +ATOM 60789 H1 TIP3 18160 -16.799 37.734 36.294 1.00 0.00 WAT +ATOM 60790 H2 TIP3 18160 -18.057 38.086 35.509 1.00 0.00 WAT +ATOM 60791 OH2 TIP3 18161 -12.181 34.362 42.769 1.00 0.00 WAT +ATOM 60792 H1 TIP3 18161 -12.198 34.974 43.522 1.00 0.00 WAT +ATOM 60793 H2 TIP3 18161 -12.340 34.920 42.008 1.00 0.00 WAT +ATOM 60794 OH2 TIP3 18162 -19.387 38.680 33.999 1.00 0.00 WAT +ATOM 60795 H1 TIP3 18162 -19.952 38.453 33.244 1.00 0.00 WAT +ATOM 60796 H2 TIP3 18162 -18.574 38.963 33.545 1.00 0.00 WAT +ATOM 60797 OH2 TIP3 18163 -15.218 38.105 41.619 1.00 0.00 WAT +ATOM 60798 H1 TIP3 18163 -14.362 38.195 41.151 1.00 0.00 WAT +ATOM 60799 H2 TIP3 18163 -14.941 37.780 42.486 1.00 0.00 WAT +ATOM 60800 OH2 TIP3 18164 -19.654 34.836 37.892 1.00 0.00 WAT +ATOM 60801 H1 TIP3 18164 -20.325 34.134 37.974 1.00 0.00 WAT +ATOM 60802 H2 TIP3 18164 -19.126 34.554 37.135 1.00 0.00 WAT +ATOM 60803 OH2 TIP3 18165 -15.869 43.273 35.930 1.00 0.00 WAT +ATOM 60804 H1 TIP3 18165 -16.620 42.923 35.414 1.00 0.00 WAT +ATOM 60805 H2 TIP3 18165 -16.246 43.384 36.814 1.00 0.00 WAT +ATOM 60806 OH2 TIP3 18166 -11.297 37.606 35.142 1.00 0.00 WAT +ATOM 60807 H1 TIP3 18166 -10.567 37.473 35.773 1.00 0.00 WAT +ATOM 60808 H2 TIP3 18166 -11.363 38.581 35.151 1.00 0.00 WAT +ATOM 60809 OH2 TIP3 18167 -20.648 42.361 41.635 1.00 0.00 WAT +ATOM 60810 H1 TIP3 18167 -20.033 42.376 40.870 1.00 0.00 WAT +ATOM 60811 H2 TIP3 18167 -20.252 41.626 42.142 1.00 0.00 WAT +ATOM 60812 OH2 TIP3 18168 -6.469 37.963 35.385 1.00 0.00 WAT +ATOM 60813 H1 TIP3 18168 -7.053 37.791 34.618 1.00 0.00 WAT +ATOM 60814 H2 TIP3 18168 -6.354 38.924 35.270 1.00 0.00 WAT +ATOM 60815 OH2 TIP3 18169 -11.218 41.913 42.441 1.00 0.00 WAT +ATOM 60816 H1 TIP3 18169 -12.086 41.680 42.778 1.00 0.00 WAT +ATOM 60817 H2 TIP3 18169 -10.874 41.096 42.025 1.00 0.00 WAT +ATOM 60818 OH2 TIP3 18170 -22.485 40.946 33.422 1.00 0.00 WAT +ATOM 60819 H1 TIP3 18170 -21.893 41.545 33.904 1.00 0.00 WAT +ATOM 60820 H2 TIP3 18170 -23.335 41.109 33.883 1.00 0.00 WAT +ATOM 60821 OH2 TIP3 18171 -20.720 -43.858 35.288 1.00 0.00 WAT +ATOM 60822 H1 TIP3 18171 -21.627 -43.514 35.418 1.00 0.00 WAT +ATOM 60823 H2 TIP3 18171 -20.256 -43.050 35.026 1.00 0.00 WAT +ATOM 60824 OH2 TIP3 18172 -12.573 34.961 36.129 1.00 0.00 WAT +ATOM 60825 H1 TIP3 18172 -12.410 35.766 35.611 1.00 0.00 WAT +ATOM 60826 H2 TIP3 18172 -12.289 35.276 37.014 1.00 0.00 WAT +ATOM 60827 OH2 TIP3 18173 -14.969 36.976 37.613 1.00 0.00 WAT +ATOM 60828 H1 TIP3 18173 -14.187 37.557 37.576 1.00 0.00 WAT +ATOM 60829 H2 TIP3 18173 -15.301 37.244 38.476 1.00 0.00 WAT +ATOM 60830 OH2 TIP3 18174 -18.850 34.964 34.780 1.00 0.00 WAT +ATOM 60831 H1 TIP3 18174 -18.781 35.787 35.295 1.00 0.00 WAT +ATOM 60832 H2 TIP3 18174 -17.996 34.538 35.005 1.00 0.00 WAT +ATOM 60833 OH2 TIP3 18175 -10.229 39.579 41.318 1.00 0.00 WAT +ATOM 60834 H1 TIP3 18175 -10.939 39.220 40.743 1.00 0.00 WAT +ATOM 60835 H2 TIP3 18175 -9.695 38.793 41.568 1.00 0.00 WAT +ATOM 60836 OH2 TIP3 18176 -22.347 38.002 32.942 1.00 0.00 WAT +ATOM 60837 H1 TIP3 18176 -22.210 38.945 33.128 1.00 0.00 WAT +ATOM 60838 H2 TIP3 18176 -23.206 38.004 32.504 1.00 0.00 WAT +ATOM 60839 OH2 TIP3 18177 -21.412 32.994 41.708 1.00 0.00 WAT +ATOM 60840 H1 TIP3 18177 -21.609 33.028 40.752 1.00 0.00 WAT +ATOM 60841 H2 TIP3 18177 -21.792 32.149 41.980 1.00 0.00 WAT +ATOM 60842 OH2 TIP3 18178 -17.887 41.678 34.576 1.00 0.00 WAT +ATOM 60843 H1 TIP3 18178 -18.401 41.165 35.212 1.00 0.00 WAT +ATOM 60844 H2 TIP3 18178 -17.569 40.993 33.963 1.00 0.00 WAT +ATOM 60845 OH2 TIP3 18179 -16.886 39.554 32.882 1.00 0.00 WAT +ATOM 60846 H1 TIP3 18179 -16.902 39.691 31.917 1.00 0.00 WAT +ATOM 60847 H2 TIP3 18179 -15.935 39.642 33.070 1.00 0.00 WAT +ATOM 60848 OH2 TIP3 18180 -7.586 41.851 32.118 1.00 0.00 WAT +ATOM 60849 H1 TIP3 18180 -7.716 41.764 31.163 1.00 0.00 WAT +ATOM 60850 H2 TIP3 18180 -7.613 42.824 32.246 1.00 0.00 WAT +ATOM 60851 OH2 TIP3 18181 -6.748 43.488 36.322 1.00 0.00 WAT +ATOM 60852 H1 TIP3 18181 -5.798 43.561 36.454 1.00 0.00 WAT +ATOM 60853 H2 TIP3 18181 -7.003 42.799 36.956 1.00 0.00 WAT +ATOM 60854 OH2 TIP3 18182 -6.431 41.326 38.130 1.00 0.00 WAT +ATOM 60855 H1 TIP3 18182 -7.224 40.891 38.503 1.00 0.00 WAT +ATOM 60856 H2 TIP3 18182 -5.904 41.524 38.927 1.00 0.00 WAT +ATOM 60857 OH2 TIP3 18183 -6.238 40.965 34.614 1.00 0.00 WAT +ATOM 60858 H1 TIP3 18183 -6.873 41.174 33.901 1.00 0.00 WAT +ATOM 60859 H2 TIP3 18183 -6.440 41.670 35.249 1.00 0.00 WAT +ATOM 60860 OH2 TIP3 18184 -7.856 38.357 32.937 1.00 0.00 WAT +ATOM 60861 H1 TIP3 18184 -7.807 39.080 32.296 1.00 0.00 WAT +ATOM 60862 H2 TIP3 18184 -8.248 37.639 32.416 1.00 0.00 WAT +ATOM 60863 OH2 TIP3 18185 -8.678 39.650 38.851 1.00 0.00 WAT +ATOM 60864 H1 TIP3 18185 -8.869 38.717 38.663 1.00 0.00 WAT +ATOM 60865 H2 TIP3 18185 -9.102 39.772 39.721 1.00 0.00 WAT +ATOM 60866 OH2 TIP3 18186 -23.822 41.331 42.679 1.00 0.00 WAT +ATOM 60867 H1 TIP3 18186 -23.667 41.889 41.905 1.00 0.00 WAT +ATOM 60868 H2 TIP3 18186 -23.044 41.515 43.228 1.00 0.00 WAT +ATOM 60869 OH2 TIP3 18187 -8.587 35.614 32.007 1.00 0.00 WAT +ATOM 60870 H1 TIP3 18187 -7.977 35.291 32.697 1.00 0.00 WAT +ATOM 60871 H2 TIP3 18187 -9.433 35.223 32.247 1.00 0.00 WAT +ATOM 60872 OH2 TIP3 18188 -8.919 37.149 36.985 1.00 0.00 WAT +ATOM 60873 H1 TIP3 18188 -8.649 36.229 37.158 1.00 0.00 WAT +ATOM 60874 H2 TIP3 18188 -8.097 37.537 36.655 1.00 0.00 WAT +ATOM 60875 OH2 TIP3 18189 -8.536 37.694 42.188 1.00 0.00 WAT +ATOM 60876 H1 TIP3 18189 -7.583 37.793 42.348 1.00 0.00 WAT +ATOM 60877 H2 TIP3 18189 -8.899 37.667 43.090 1.00 0.00 WAT +ATOM 60878 OH2 TIP3 18190 -8.233 34.272 37.048 1.00 0.00 WAT +ATOM 60879 H1 TIP3 18190 -8.175 34.029 37.987 1.00 0.00 WAT +ATOM 60880 H2 TIP3 18190 -9.077 33.851 36.791 1.00 0.00 WAT +ATOM 60881 OH2 TIP3 18191 -22.986 35.611 41.918 1.00 0.00 WAT +ATOM 60882 H1 TIP3 18191 -22.739 34.683 42.058 1.00 0.00 WAT +ATOM 60883 H2 TIP3 18191 -22.431 36.034 42.586 1.00 0.00 WAT +ATOM 60884 OH2 TIP3 18192 -24.601 38.445 43.042 1.00 0.00 WAT +ATOM 60885 H1 TIP3 18192 -24.172 38.102 42.243 1.00 0.00 WAT +ATOM 60886 H2 TIP3 18192 -24.336 39.388 43.005 1.00 0.00 WAT +ATOM 60887 OH2 TIP3 18193 -6.338 34.787 33.685 1.00 0.00 WAT +ATOM 60888 H1 TIP3 18193 -5.993 33.970 33.287 1.00 0.00 WAT +ATOM 60889 H2 TIP3 18193 -5.523 35.290 33.854 1.00 0.00 WAT +ATOM 60890 OH2 TIP3 18194 -24.048 34.450 36.911 1.00 0.00 WAT +ATOM 60891 H1 TIP3 18194 -25.003 34.523 36.739 1.00 0.00 WAT +ATOM 60892 H2 TIP3 18194 -23.661 35.088 36.280 1.00 0.00 WAT +ATOM 60893 OH2 TIP3 18195 -9.263 32.781 41.533 1.00 0.00 WAT +ATOM 60894 H1 TIP3 18195 -8.435 32.929 41.045 1.00 0.00 WAT +ATOM 60895 H2 TIP3 18195 -9.911 32.597 40.851 1.00 0.00 WAT +ATOM 60896 OH2 TIP3 18196 -7.085 33.400 39.636 1.00 0.00 WAT +ATOM 60897 H1 TIP3 18196 -6.354 33.036 39.102 1.00 0.00 WAT +ATOM 60898 H2 TIP3 18196 -6.785 34.322 39.768 1.00 0.00 WAT +ATOM 60899 OH2 TIP3 18197 -21.750 33.009 38.824 1.00 0.00 WAT +ATOM 60900 H1 TIP3 18197 -22.626 32.864 38.414 1.00 0.00 WAT +ATOM 60901 H2 TIP3 18197 -21.358 32.121 38.746 1.00 0.00 WAT +ATOM 60902 OH2 TIP3 18198 -22.949 32.502 34.770 1.00 0.00 WAT +ATOM 60903 H1 TIP3 18198 -22.445 33.165 34.262 1.00 0.00 WAT +ATOM 60904 H2 TIP3 18198 -23.358 33.044 35.465 1.00 0.00 WAT +ATOM 60905 OH2 TIP3 18199 -12.278 32.981 39.846 1.00 0.00 WAT +ATOM 60906 H1 TIP3 18199 -11.470 32.881 39.332 1.00 0.00 WAT +ATOM 60907 H2 TIP3 18199 -12.167 32.343 40.568 1.00 0.00 WAT +ATOM 60908 OH2 TIP3 18200 -10.581 32.881 36.128 1.00 0.00 WAT +ATOM 60909 H1 TIP3 18200 -11.371 33.457 36.072 1.00 0.00 WAT +ATOM 60910 H2 TIP3 18200 -10.978 32.006 36.276 1.00 0.00 WAT +ATOM 60911 OH2 TIP3 18201 -21.227 34.322 33.210 1.00 0.00 WAT +ATOM 60912 H1 TIP3 18201 -20.618 33.767 32.694 1.00 0.00 WAT +ATOM 60913 H2 TIP3 18201 -20.632 34.662 33.904 1.00 0.00 WAT +ATOM 60914 OH2 TIP3 18202 -16.206 34.579 35.903 1.00 0.00 WAT +ATOM 60915 H1 TIP3 18202 -15.676 33.929 36.379 1.00 0.00 WAT +ATOM 60916 H2 TIP3 18202 -15.890 35.426 36.254 1.00 0.00 WAT +ATOM 60917 OH2 TIP3 18203 6.104 41.935 38.929 1.00 0.00 WAT +ATOM 60918 H1 TIP3 18203 5.906 42.862 39.148 1.00 0.00 WAT +ATOM 60919 H2 TIP3 18203 5.320 41.671 38.431 1.00 0.00 WAT +ATOM 60920 OH2 TIP3 18204 4.676 41.199 42.495 1.00 0.00 WAT +ATOM 60921 H1 TIP3 18204 4.923 40.506 43.128 1.00 0.00 WAT +ATOM 60922 H2 TIP3 18204 4.863 40.806 41.638 1.00 0.00 WAT +ATOM 60923 OH2 TIP3 18205 -4.911 38.878 37.766 1.00 0.00 WAT +ATOM 60924 H1 TIP3 18205 -5.371 39.730 37.885 1.00 0.00 WAT +ATOM 60925 H2 TIP3 18205 -5.624 38.326 37.424 1.00 0.00 WAT +ATOM 60926 OH2 TIP3 18206 -3.986 41.303 39.734 1.00 0.00 WAT +ATOM 60927 H1 TIP3 18206 -3.983 40.555 40.359 1.00 0.00 WAT +ATOM 60928 H2 TIP3 18206 -3.198 41.097 39.223 1.00 0.00 WAT +ATOM 60929 OH2 TIP3 18207 6.550 38.145 43.219 1.00 0.00 WAT +ATOM 60930 H1 TIP3 18207 6.964 37.289 43.421 1.00 0.00 WAT +ATOM 60931 H2 TIP3 18207 6.616 38.201 42.250 1.00 0.00 WAT +ATOM 60932 OH2 TIP3 18208 -0.369 36.031 40.424 1.00 0.00 WAT +ATOM 60933 H1 TIP3 18208 -0.174 36.880 39.987 1.00 0.00 WAT +ATOM 60934 H2 TIP3 18208 -0.676 35.518 39.651 1.00 0.00 WAT +ATOM 60935 OH2 TIP3 18209 7.543 36.225 38.650 1.00 0.00 WAT +ATOM 60936 H1 TIP3 18209 8.069 35.828 39.386 1.00 0.00 WAT +ATOM 60937 H2 TIP3 18209 8.247 36.683 38.171 1.00 0.00 WAT +ATOM 60938 OH2 TIP3 18210 -3.396 38.683 40.989 1.00 0.00 WAT +ATOM 60939 H1 TIP3 18210 -2.921 38.088 41.571 1.00 0.00 WAT +ATOM 60940 H2 TIP3 18210 -3.347 38.213 40.138 1.00 0.00 WAT +ATOM 60941 OH2 TIP3 18211 1.728 40.146 40.556 1.00 0.00 WAT +ATOM 60942 H1 TIP3 18211 2.434 39.546 40.860 1.00 0.00 WAT +ATOM 60943 H2 TIP3 18211 1.227 39.566 39.952 1.00 0.00 WAT +ATOM 60944 OH2 TIP3 18212 9.306 35.619 40.666 1.00 0.00 WAT +ATOM 60945 H1 TIP3 18212 9.268 34.741 41.110 1.00 0.00 WAT +ATOM 60946 H2 TIP3 18212 9.798 36.113 41.345 1.00 0.00 WAT +ATOM 60947 OH2 TIP3 18213 -1.130 36.934 42.973 1.00 0.00 WAT +ATOM 60948 H1 TIP3 18213 -1.224 37.873 42.780 1.00 0.00 WAT +ATOM 60949 H2 TIP3 18213 -1.121 36.515 42.090 1.00 0.00 WAT +ATOM 60950 OH2 TIP3 18214 2.602 32.411 41.763 1.00 0.00 WAT +ATOM 60951 H1 TIP3 18214 2.581 31.444 41.829 1.00 0.00 WAT +ATOM 60952 H2 TIP3 18214 1.785 32.659 42.236 1.00 0.00 WAT +ATOM 60953 OH2 TIP3 18215 4.623 41.426 36.359 1.00 0.00 WAT +ATOM 60954 H1 TIP3 18215 4.000 41.821 35.736 1.00 0.00 WAT +ATOM 60955 H2 TIP3 18215 5.408 41.327 35.795 1.00 0.00 WAT +ATOM 60956 OH2 TIP3 18216 5.034 39.447 33.522 1.00 0.00 WAT +ATOM 60957 H1 TIP3 18216 5.759 39.781 34.080 1.00 0.00 WAT +ATOM 60958 H2 TIP3 18216 5.528 38.919 32.880 1.00 0.00 WAT +ATOM 60959 OH2 TIP3 18217 8.351 41.418 37.374 1.00 0.00 WAT +ATOM 60960 H1 TIP3 18217 7.682 41.622 38.062 1.00 0.00 WAT +ATOM 60961 H2 TIP3 18217 9.001 40.904 37.888 1.00 0.00 WAT +ATOM 60962 OH2 TIP3 18218 -0.275 42.050 39.369 1.00 0.00 WAT +ATOM 60963 H1 TIP3 18218 -0.385 41.806 38.433 1.00 0.00 WAT +ATOM 60964 H2 TIP3 18218 0.581 41.648 39.581 1.00 0.00 WAT +ATOM 60965 OH2 TIP3 18219 0.076 40.827 42.842 1.00 0.00 WAT +ATOM 60966 H1 TIP3 18219 0.762 40.837 42.152 1.00 0.00 WAT +ATOM 60967 H2 TIP3 18219 0.453 41.378 43.544 1.00 0.00 WAT +ATOM 60968 OH2 TIP3 18220 7.169 40.739 35.002 1.00 0.00 WAT +ATOM 60969 H1 TIP3 18220 7.723 41.016 35.767 1.00 0.00 WAT +ATOM 60970 H2 TIP3 18220 7.632 41.205 34.260 1.00 0.00 WAT +ATOM 60971 OH2 TIP3 18221 10.660 32.467 34.438 1.00 0.00 WAT +ATOM 60972 H1 TIP3 18221 9.783 32.558 34.853 1.00 0.00 WAT +ATOM 60973 H2 TIP3 18221 11.008 33.370 34.506 1.00 0.00 WAT +ATOM 60974 OH2 TIP3 18222 -1.230 40.886 36.798 1.00 0.00 WAT +ATOM 60975 H1 TIP3 18222 -1.417 41.659 36.229 1.00 0.00 WAT +ATOM 60976 H2 TIP3 18222 -1.874 40.237 36.490 1.00 0.00 WAT +ATOM 60977 OH2 TIP3 18223 0.150 33.290 42.927 1.00 0.00 WAT +ATOM 60978 H1 TIP3 18223 -0.669 33.257 42.404 1.00 0.00 WAT +ATOM 60979 H2 TIP3 18223 0.276 34.246 43.085 1.00 0.00 WAT +ATOM 60980 OH2 TIP3 18224 8.526 41.778 32.901 1.00 0.00 WAT +ATOM 60981 H1 TIP3 18224 8.521 41.523 31.966 1.00 0.00 WAT +ATOM 60982 H2 TIP3 18224 9.420 42.159 32.995 1.00 0.00 WAT +ATOM 60983 OH2 TIP3 18225 4.410 35.582 33.439 1.00 0.00 WAT +ATOM 60984 H1 TIP3 18225 3.924 35.456 34.267 1.00 0.00 WAT +ATOM 60985 H2 TIP3 18225 4.004 34.893 32.885 1.00 0.00 WAT +ATOM 60986 OH2 TIP3 18226 0.053 38.348 38.834 1.00 0.00 WAT +ATOM 60987 H1 TIP3 18226 -0.904 38.277 38.668 1.00 0.00 WAT +ATOM 60988 H2 TIP3 18226 0.402 38.141 37.945 1.00 0.00 WAT +ATOM 60989 OH2 TIP3 18227 5.652 38.976 37.641 1.00 0.00 WAT +ATOM 60990 H1 TIP3 18227 5.197 39.744 37.249 1.00 0.00 WAT +ATOM 60991 H2 TIP3 18227 6.327 38.780 36.970 1.00 0.00 WAT +ATOM 60992 OH2 TIP3 18228 6.426 38.320 40.426 1.00 0.00 WAT +ATOM 60993 H1 TIP3 18228 6.172 38.861 39.652 1.00 0.00 WAT +ATOM 60994 H2 TIP3 18228 6.662 37.489 39.969 1.00 0.00 WAT +ATOM 60995 OH2 TIP3 18229 0.836 36.049 32.346 1.00 0.00 WAT +ATOM 60996 H1 TIP3 18229 0.494 35.682 33.187 1.00 0.00 WAT +ATOM 60997 H2 TIP3 18229 0.036 36.127 31.814 1.00 0.00 WAT +ATOM 60998 OH2 TIP3 18230 -5.689 35.908 39.424 1.00 0.00 WAT +ATOM 60999 H1 TIP3 18230 -5.121 35.894 40.216 1.00 0.00 WAT +ATOM 61000 H2 TIP3 18230 -5.142 35.494 38.742 1.00 0.00 WAT +ATOM 61001 OH2 TIP3 18231 -4.147 36.324 35.121 1.00 0.00 WAT +ATOM 61002 H1 TIP3 18231 -3.582 36.812 34.490 1.00 0.00 WAT +ATOM 61003 H2 TIP3 18231 -4.833 36.991 35.313 1.00 0.00 WAT +ATOM 61004 OH2 TIP3 18232 2.722 35.969 39.819 1.00 0.00 WAT +ATOM 61005 H1 TIP3 18232 1.801 35.886 40.113 1.00 0.00 WAT +ATOM 61006 H2 TIP3 18232 3.208 35.750 40.633 1.00 0.00 WAT +ATOM 61007 OH2 TIP3 18233 -2.639 37.170 38.539 1.00 0.00 WAT +ATOM 61008 H1 TIP3 18233 -3.446 37.453 38.073 1.00 0.00 WAT +ATOM 61009 H2 TIP3 18233 -2.343 36.392 38.031 1.00 0.00 WAT +ATOM 61010 OH2 TIP3 18234 1.009 37.484 36.190 1.00 0.00 WAT +ATOM 61011 H1 TIP3 18234 1.976 37.565 36.280 1.00 0.00 WAT +ATOM 61012 H2 TIP3 18234 0.783 38.120 35.491 1.00 0.00 WAT +ATOM 61013 OH2 TIP3 18235 7.139 34.613 42.802 1.00 0.00 WAT +ATOM 61014 H1 TIP3 18235 6.817 34.951 43.653 1.00 0.00 WAT +ATOM 61015 H2 TIP3 18235 6.380 34.703 42.212 1.00 0.00 WAT +ATOM 61016 OH2 TIP3 18236 -0.573 38.783 33.980 1.00 0.00 WAT +ATOM 61017 H1 TIP3 18236 -1.119 38.427 33.265 1.00 0.00 WAT +ATOM 61018 H2 TIP3 18236 0.262 38.963 33.514 1.00 0.00 WAT +ATOM 61019 OH2 TIP3 18237 3.664 38.304 41.840 1.00 0.00 WAT +ATOM 61020 H1 TIP3 18237 4.462 38.031 41.363 1.00 0.00 WAT +ATOM 61021 H2 TIP3 18237 3.734 37.776 42.649 1.00 0.00 WAT +ATOM 61022 OH2 TIP3 18238 -0.873 34.906 37.845 1.00 0.00 WAT +ATOM 61023 H1 TIP3 18238 -1.405 34.110 38.001 1.00 0.00 WAT +ATOM 61024 H2 TIP3 18238 -0.057 34.544 37.473 1.00 0.00 WAT +ATOM 61025 OH2 TIP3 18239 2.495 43.653 36.022 1.00 0.00 WAT +ATOM 61026 H1 TIP3 18239 2.118 42.967 35.441 1.00 0.00 WAT +ATOM 61027 H2 TIP3 18239 2.992 43.175 36.692 1.00 0.00 WAT +ATOM 61028 OH2 TIP3 18240 7.097 36.185 33.560 1.00 0.00 WAT +ATOM 61029 H1 TIP3 18240 6.114 36.140 33.552 1.00 0.00 WAT +ATOM 61030 H2 TIP3 18240 7.286 36.879 34.224 1.00 0.00 WAT +ATOM 61031 OH2 TIP3 18241 7.775 37.969 35.639 1.00 0.00 WAT +ATOM 61032 H1 TIP3 18241 8.640 37.803 36.065 1.00 0.00 WAT +ATOM 61033 H2 TIP3 18241 7.898 38.852 35.249 1.00 0.00 WAT +ATOM 61034 OH2 TIP3 18242 -1.777 42.384 41.635 1.00 0.00 WAT +ATOM 61035 H1 TIP3 18242 -1.175 42.379 40.860 1.00 0.00 WAT +ATOM 61036 H2 TIP3 18242 -1.403 41.633 42.134 1.00 0.00 WAT +ATOM 61037 OH2 TIP3 18243 12.369 37.961 35.373 1.00 0.00 WAT +ATOM 61038 H1 TIP3 18243 11.802 37.776 34.599 1.00 0.00 WAT +ATOM 61039 H2 TIP3 18243 12.489 38.921 35.247 1.00 0.00 WAT +ATOM 61040 OH2 TIP3 18244 7.494 42.162 42.207 1.00 0.00 WAT +ATOM 61041 H1 TIP3 18244 6.781 41.870 42.793 1.00 0.00 WAT +ATOM 61042 H2 TIP3 18244 8.007 41.353 42.035 1.00 0.00 WAT +ATOM 61043 OH2 TIP3 18245 -3.640 40.951 33.412 1.00 0.00 WAT +ATOM 61044 H1 TIP3 18245 -3.054 41.546 33.908 1.00 0.00 WAT +ATOM 61045 H2 TIP3 18245 -4.490 41.090 33.883 1.00 0.00 WAT +ATOM 61046 OH2 TIP3 18246 -1.880 -43.865 35.239 1.00 0.00 WAT +ATOM 61047 H1 TIP3 18246 -2.766 -43.512 35.439 1.00 0.00 WAT +ATOM 61048 H2 TIP3 18246 -1.379 -43.049 35.094 1.00 0.00 WAT +ATOM 61049 OH2 TIP3 18247 6.269 34.919 36.320 1.00 0.00 WAT +ATOM 61050 H1 TIP3 18247 6.448 35.480 35.552 1.00 0.00 WAT +ATOM 61051 H2 TIP3 18247 6.700 35.416 37.040 1.00 0.00 WAT +ATOM 61052 OH2 TIP3 18248 3.655 36.951 37.267 1.00 0.00 WAT +ATOM 61053 H1 TIP3 18248 4.437 37.506 37.453 1.00 0.00 WAT +ATOM 61054 H2 TIP3 18248 3.353 36.726 38.170 1.00 0.00 WAT +ATOM 61055 OH2 TIP3 18249 4.197 33.933 38.167 1.00 0.00 WAT +ATOM 61056 H1 TIP3 18249 4.093 34.537 38.925 1.00 0.00 WAT +ATOM 61057 H2 TIP3 18249 4.984 34.316 37.734 1.00 0.00 WAT +ATOM 61058 OH2 TIP3 18250 -0.018 34.947 34.739 1.00 0.00 WAT +ATOM 61059 H1 TIP3 18250 0.004 35.703 35.351 1.00 0.00 WAT +ATOM 61060 H2 TIP3 18250 0.790 34.468 35.014 1.00 0.00 WAT +ATOM 61061 OH2 TIP3 18251 8.780 39.689 41.313 1.00 0.00 WAT +ATOM 61062 H1 TIP3 18251 7.972 39.206 41.076 1.00 0.00 WAT +ATOM 61063 H2 TIP3 18251 9.338 38.969 41.694 1.00 0.00 WAT +ATOM 61064 OH2 TIP3 18252 -3.471 38.011 32.920 1.00 0.00 WAT +ATOM 61065 H1 TIP3 18252 -3.347 38.949 33.136 1.00 0.00 WAT +ATOM 61066 H2 TIP3 18252 -4.362 38.002 32.550 1.00 0.00 WAT +ATOM 61067 OH2 TIP3 18253 -2.604 33.021 41.715 1.00 0.00 WAT +ATOM 61068 H1 TIP3 18253 -2.731 33.056 40.744 1.00 0.00 WAT +ATOM 61069 H2 TIP3 18253 -2.915 32.136 41.939 1.00 0.00 WAT +ATOM 61070 OH2 TIP3 18254 1.081 41.617 34.564 1.00 0.00 WAT +ATOM 61071 H1 TIP3 18254 0.437 41.194 35.146 1.00 0.00 WAT +ATOM 61072 H2 TIP3 18254 1.246 40.922 33.899 1.00 0.00 WAT +ATOM 61073 OH2 TIP3 18255 1.931 39.567 32.845 1.00 0.00 WAT +ATOM 61074 H1 TIP3 18255 1.913 39.715 31.882 1.00 0.00 WAT +ATOM 61075 H2 TIP3 18255 2.891 39.552 33.017 1.00 0.00 WAT +ATOM 61076 OH2 TIP3 18256 11.233 41.887 32.067 1.00 0.00 WAT +ATOM 61077 H1 TIP3 18256 11.154 41.824 31.101 1.00 0.00 WAT +ATOM 61078 H2 TIP3 18256 11.241 42.849 32.243 1.00 0.00 WAT +ATOM 61079 OH2 TIP3 18257 12.046 43.594 36.429 1.00 0.00 WAT +ATOM 61080 H1 TIP3 18257 13.005 43.588 36.337 1.00 0.00 WAT +ATOM 61081 H2 TIP3 18257 11.861 42.793 36.945 1.00 0.00 WAT +ATOM 61082 OH2 TIP3 18258 12.427 41.324 38.125 1.00 0.00 WAT +ATOM 61083 H1 TIP3 18258 11.626 40.911 38.504 1.00 0.00 WAT +ATOM 61084 H2 TIP3 18258 12.956 41.520 38.920 1.00 0.00 WAT +ATOM 61085 OH2 TIP3 18259 12.602 40.950 34.609 1.00 0.00 WAT +ATOM 61086 H1 TIP3 18259 11.956 41.166 33.910 1.00 0.00 WAT +ATOM 61087 H2 TIP3 18259 12.438 41.662 35.241 1.00 0.00 WAT +ATOM 61088 OH2 TIP3 18260 10.847 38.442 32.951 1.00 0.00 WAT +ATOM 61089 H1 TIP3 18260 11.054 39.055 32.233 1.00 0.00 WAT +ATOM 61090 H2 TIP3 18260 10.607 37.622 32.476 1.00 0.00 WAT +ATOM 61091 OH2 TIP3 18261 10.133 39.661 38.848 1.00 0.00 WAT +ATOM 61092 H1 TIP3 18261 10.113 38.698 38.730 1.00 0.00 WAT +ATOM 61093 H2 TIP3 18261 9.794 39.757 39.763 1.00 0.00 WAT +ATOM 61094 OH2 TIP3 18262 -4.949 41.305 42.675 1.00 0.00 WAT +ATOM 61095 H1 TIP3 18262 -4.838 41.894 41.917 1.00 0.00 WAT +ATOM 61096 H2 TIP3 18262 -4.181 41.522 43.225 1.00 0.00 WAT +ATOM 61097 OH2 TIP3 18263 10.311 35.790 32.147 1.00 0.00 WAT +ATOM 61098 H1 TIP3 18263 10.889 35.290 32.751 1.00 0.00 WAT +ATOM 61099 H2 TIP3 18263 9.508 35.251 32.099 1.00 0.00 WAT +ATOM 61100 OH2 TIP3 18264 10.128 37.073 37.089 1.00 0.00 WAT +ATOM 61101 H1 TIP3 18264 10.356 36.123 37.170 1.00 0.00 WAT +ATOM 61102 H2 TIP3 18264 10.947 37.416 36.692 1.00 0.00 WAT +ATOM 61103 OH2 TIP3 18265 10.358 37.767 42.233 1.00 0.00 WAT +ATOM 61104 H1 TIP3 18265 11.310 37.727 42.420 1.00 0.00 WAT +ATOM 61105 H2 TIP3 18265 9.962 37.503 43.083 1.00 0.00 WAT +ATOM 61106 OH2 TIP3 18266 10.594 34.268 37.065 1.00 0.00 WAT +ATOM 61107 H1 TIP3 18266 10.683 33.960 37.984 1.00 0.00 WAT +ATOM 61108 H2 TIP3 18266 9.789 33.789 36.779 1.00 0.00 WAT +ATOM 61109 OH2 TIP3 18267 -4.159 35.577 41.912 1.00 0.00 WAT +ATOM 61110 H1 TIP3 18267 -3.828 34.671 42.033 1.00 0.00 WAT +ATOM 61111 H2 TIP3 18267 -3.624 36.049 42.559 1.00 0.00 WAT +ATOM 61112 OH2 TIP3 18268 -5.777 38.444 43.021 1.00 0.00 WAT +ATOM 61113 H1 TIP3 18268 -5.324 38.112 42.231 1.00 0.00 WAT +ATOM 61114 H2 TIP3 18268 -5.512 39.389 42.997 1.00 0.00 WAT +ATOM 61115 OH2 TIP3 18269 12.553 34.760 33.735 1.00 0.00 WAT +ATOM 61116 H1 TIP3 18269 12.860 33.951 33.292 1.00 0.00 WAT +ATOM 61117 H2 TIP3 18269 13.376 35.270 33.819 1.00 0.00 WAT +ATOM 61118 OH2 TIP3 18270 -5.194 34.426 36.879 1.00 0.00 WAT +ATOM 61119 H1 TIP3 18270 -6.151 34.546 36.740 1.00 0.00 WAT +ATOM 61120 H2 TIP3 18270 -4.800 35.091 36.280 1.00 0.00 WAT +ATOM 61121 OH2 TIP3 18271 4.710 34.392 41.239 1.00 0.00 WAT +ATOM 61122 H1 TIP3 18271 4.121 33.669 41.530 1.00 0.00 WAT +ATOM 61123 H2 TIP3 18271 5.412 33.895 40.770 1.00 0.00 WAT +ATOM 61124 OH2 TIP3 18272 9.664 33.071 41.542 1.00 0.00 WAT +ATOM 61125 H1 TIP3 18272 10.496 32.725 41.197 1.00 0.00 WAT +ATOM 61126 H2 TIP3 18272 8.966 32.535 41.155 1.00 0.00 WAT +ATOM 61127 OH2 TIP3 18273 11.832 33.396 39.576 1.00 0.00 WAT +ATOM 61128 H1 TIP3 18273 12.577 33.051 39.052 1.00 0.00 WAT +ATOM 61129 H2 TIP3 18273 12.091 34.321 39.739 1.00 0.00 WAT +ATOM 61130 OH2 TIP3 18274 -2.921 33.005 38.896 1.00 0.00 WAT +ATOM 61131 H1 TIP3 18274 -3.766 32.869 38.426 1.00 0.00 WAT +ATOM 61132 H2 TIP3 18274 -2.472 32.156 38.728 1.00 0.00 WAT +ATOM 61133 OH2 TIP3 18275 -4.113 32.509 34.766 1.00 0.00 WAT +ATOM 61134 H1 TIP3 18275 -3.587 33.163 34.268 1.00 0.00 WAT +ATOM 61135 H2 TIP3 18275 -4.495 33.054 35.475 1.00 0.00 WAT +ATOM 61136 OH2 TIP3 18276 1.594 32.760 38.912 1.00 0.00 WAT +ATOM 61137 H1 TIP3 18276 2.469 33.134 38.711 1.00 0.00 WAT +ATOM 61138 H2 TIP3 18276 1.647 32.681 39.875 1.00 0.00 WAT +ATOM 61139 OH2 TIP3 18277 6.926 32.925 39.982 1.00 0.00 WAT +ATOM 61140 H1 TIP3 18277 7.409 32.667 39.189 1.00 0.00 WAT +ATOM 61141 H2 TIP3 18277 6.732 32.073 40.405 1.00 0.00 WAT +ATOM 61142 OH2 TIP3 18278 8.272 32.874 36.159 1.00 0.00 WAT +ATOM 61143 H1 TIP3 18278 7.454 33.396 36.044 1.00 0.00 WAT +ATOM 61144 H2 TIP3 18278 7.906 31.981 36.285 1.00 0.00 WAT +ATOM 61145 OH2 TIP3 18279 -2.375 34.318 33.206 1.00 0.00 WAT +ATOM 61146 H1 TIP3 18279 -1.762 33.763 32.695 1.00 0.00 WAT +ATOM 61147 H2 TIP3 18279 -1.782 34.653 33.907 1.00 0.00 WAT +ATOM 61148 OH2 TIP3 18280 2.698 34.501 35.837 1.00 0.00 WAT +ATOM 61149 H1 TIP3 18280 3.098 33.954 36.535 1.00 0.00 WAT +ATOM 61150 H2 TIP3 18280 2.898 35.381 36.194 1.00 0.00 WAT +ATOM 61151 OH2 TIP3 18281 24.956 41.936 38.933 1.00 0.00 WAT +ATOM 61152 H1 TIP3 18281 24.754 42.865 39.136 1.00 0.00 WAT +ATOM 61153 H2 TIP3 18281 24.179 41.665 38.426 1.00 0.00 WAT +ATOM 61154 OH2 TIP3 18282 23.590 41.202 42.511 1.00 0.00 WAT +ATOM 61155 H1 TIP3 18282 23.790 40.466 43.106 1.00 0.00 WAT +ATOM 61156 H2 TIP3 18282 23.687 40.817 41.635 1.00 0.00 WAT +ATOM 61157 OH2 TIP3 18283 13.948 38.903 37.767 1.00 0.00 WAT +ATOM 61158 H1 TIP3 18283 13.460 39.742 37.862 1.00 0.00 WAT +ATOM 61159 H2 TIP3 18283 13.254 38.313 37.450 1.00 0.00 WAT +ATOM 61160 OH2 TIP3 18284 14.881 41.311 39.749 1.00 0.00 WAT +ATOM 61161 H1 TIP3 18284 14.873 40.545 40.353 1.00 0.00 WAT +ATOM 61162 H2 TIP3 18284 15.639 41.081 39.203 1.00 0.00 WAT +ATOM 61163 OH2 TIP3 18285 25.386 38.171 43.220 1.00 0.00 WAT +ATOM 61164 H1 TIP3 18285 25.825 37.329 43.429 1.00 0.00 WAT +ATOM 61165 H2 TIP3 18285 25.463 38.219 42.250 1.00 0.00 WAT +ATOM 61166 OH2 TIP3 18286 18.511 36.028 40.418 1.00 0.00 WAT +ATOM 61167 H1 TIP3 18286 18.672 36.880 39.975 1.00 0.00 WAT +ATOM 61168 H2 TIP3 18286 18.187 35.506 39.658 1.00 0.00 WAT +ATOM 61169 OH2 TIP3 18287 26.392 36.228 38.645 1.00 0.00 WAT +ATOM 61170 H1 TIP3 18287 26.916 35.835 39.386 1.00 0.00 WAT +ATOM 61171 H2 TIP3 18287 27.100 36.684 38.170 1.00 0.00 WAT +ATOM 61172 OH2 TIP3 18288 15.493 38.706 40.980 1.00 0.00 WAT +ATOM 61173 H1 TIP3 18288 15.903 38.075 41.576 1.00 0.00 WAT +ATOM 61174 H2 TIP3 18288 15.497 38.216 40.139 1.00 0.00 WAT +ATOM 61175 OH2 TIP3 18289 20.584 40.149 40.549 1.00 0.00 WAT +ATOM 61176 H1 TIP3 18289 21.282 39.543 40.858 1.00 0.00 WAT +ATOM 61177 H2 TIP3 18289 20.078 39.567 39.950 1.00 0.00 WAT +ATOM 61178 OH2 TIP3 18290 28.140 35.660 40.661 1.00 0.00 WAT +ATOM 61179 H1 TIP3 18290 28.130 34.756 41.061 1.00 0.00 WAT +ATOM 61180 H2 TIP3 18290 28.653 36.126 41.343 1.00 0.00 WAT +ATOM 61181 OH2 TIP3 18291 17.759 36.942 42.984 1.00 0.00 WAT +ATOM 61182 H1 TIP3 18291 17.591 37.871 42.790 1.00 0.00 WAT +ATOM 61183 H2 TIP3 18291 17.712 36.510 42.110 1.00 0.00 WAT +ATOM 61184 OH2 TIP3 18292 21.471 32.410 41.774 1.00 0.00 WAT +ATOM 61185 H1 TIP3 18292 21.425 31.443 41.829 1.00 0.00 WAT +ATOM 61186 H2 TIP3 18292 20.643 32.670 42.225 1.00 0.00 WAT +ATOM 61187 OH2 TIP3 18293 23.474 41.421 36.364 1.00 0.00 WAT +ATOM 61188 H1 TIP3 18293 22.855 41.878 35.775 1.00 0.00 WAT +ATOM 61189 H2 TIP3 18293 24.243 41.324 35.779 1.00 0.00 WAT +ATOM 61190 OH2 TIP3 18294 23.897 39.416 33.547 1.00 0.00 WAT +ATOM 61191 H1 TIP3 18294 24.623 39.783 34.082 1.00 0.00 WAT +ATOM 61192 H2 TIP3 18294 24.391 38.928 32.876 1.00 0.00 WAT +ATOM 61193 OH2 TIP3 18295 27.209 41.442 37.377 1.00 0.00 WAT +ATOM 61194 H1 TIP3 18295 26.532 41.618 38.064 1.00 0.00 WAT +ATOM 61195 H2 TIP3 18295 27.858 40.914 37.880 1.00 0.00 WAT +ATOM 61196 OH2 TIP3 18296 18.600 42.068 39.361 1.00 0.00 WAT +ATOM 61197 H1 TIP3 18296 18.452 41.790 38.439 1.00 0.00 WAT +ATOM 61198 H2 TIP3 18296 19.432 41.617 39.573 1.00 0.00 WAT +ATOM 61199 OH2 TIP3 18297 18.946 40.814 42.848 1.00 0.00 WAT +ATOM 61200 H1 TIP3 18297 19.608 40.833 42.135 1.00 0.00 WAT +ATOM 61201 H2 TIP3 18297 19.307 41.416 43.512 1.00 0.00 WAT +ATOM 61202 OH2 TIP3 18298 26.022 40.727 35.014 1.00 0.00 WAT +ATOM 61203 H1 TIP3 18298 26.577 41.013 35.775 1.00 0.00 WAT +ATOM 61204 H2 TIP3 18298 26.486 41.189 34.269 1.00 0.00 WAT +ATOM 61205 OH2 TIP3 18299 17.622 40.900 36.814 1.00 0.00 WAT +ATOM 61206 H1 TIP3 18299 17.426 41.668 36.239 1.00 0.00 WAT +ATOM 61207 H2 TIP3 18299 17.000 40.234 36.495 1.00 0.00 WAT +ATOM 61208 OH2 TIP3 18300 19.035 33.299 42.904 1.00 0.00 WAT +ATOM 61209 H1 TIP3 18300 18.193 33.215 42.421 1.00 0.00 WAT +ATOM 61210 H2 TIP3 18300 19.095 34.255 43.077 1.00 0.00 WAT +ATOM 61211 OH2 TIP3 18301 27.418 41.763 32.957 1.00 0.00 WAT +ATOM 61212 H1 TIP3 18301 27.342 41.597 32.001 1.00 0.00 WAT +ATOM 61213 H2 TIP3 18301 28.314 42.147 33.011 1.00 0.00 WAT +ATOM 61214 OH2 TIP3 18302 23.305 35.512 33.464 1.00 0.00 WAT +ATOM 61215 H1 TIP3 18302 22.759 35.452 34.264 1.00 0.00 WAT +ATOM 61216 H2 TIP3 18302 22.823 34.896 32.884 1.00 0.00 WAT +ATOM 61217 OH2 TIP3 18303 18.907 38.366 38.826 1.00 0.00 WAT +ATOM 61218 H1 TIP3 18303 17.949 38.270 38.673 1.00 0.00 WAT +ATOM 61219 H2 TIP3 18303 19.248 38.137 37.939 1.00 0.00 WAT +ATOM 61220 OH2 TIP3 18304 24.501 38.986 37.639 1.00 0.00 WAT +ATOM 61221 H1 TIP3 18304 24.046 39.751 37.241 1.00 0.00 WAT +ATOM 61222 H2 TIP3 18304 25.174 38.784 36.968 1.00 0.00 WAT +ATOM 61223 OH2 TIP3 18305 25.286 38.322 40.423 1.00 0.00 WAT +ATOM 61224 H1 TIP3 18305 25.029 38.860 39.649 1.00 0.00 WAT +ATOM 61225 H2 TIP3 18305 25.519 37.488 39.969 1.00 0.00 WAT +ATOM 61226 OH2 TIP3 18306 19.718 36.030 32.354 1.00 0.00 WAT +ATOM 61227 H1 TIP3 18306 19.341 35.666 33.181 1.00 0.00 WAT +ATOM 61228 H2 TIP3 18306 18.928 36.165 31.816 1.00 0.00 WAT +ATOM 61229 OH2 TIP3 18307 13.220 36.008 39.399 1.00 0.00 WAT +ATOM 61230 H1 TIP3 18307 13.735 35.878 40.215 1.00 0.00 WAT +ATOM 61231 H2 TIP3 18307 13.688 35.482 38.735 1.00 0.00 WAT +ATOM 61232 OH2 TIP3 18308 14.738 36.334 35.139 1.00 0.00 WAT +ATOM 61233 H1 TIP3 18308 15.273 36.818 34.477 1.00 0.00 WAT +ATOM 61234 H2 TIP3 18308 14.032 36.982 35.313 1.00 0.00 WAT +ATOM 61235 OH2 TIP3 18309 21.581 35.986 39.823 1.00 0.00 WAT +ATOM 61236 H1 TIP3 18309 20.653 35.885 40.094 1.00 0.00 WAT +ATOM 61237 H2 TIP3 18309 22.051 35.730 40.635 1.00 0.00 WAT +ATOM 61238 OH2 TIP3 18310 16.247 37.190 38.517 1.00 0.00 WAT +ATOM 61239 H1 TIP3 18310 15.406 37.434 38.092 1.00 0.00 WAT +ATOM 61240 H2 TIP3 18310 16.515 36.386 38.035 1.00 0.00 WAT +ATOM 61241 OH2 TIP3 18311 19.883 37.489 36.194 1.00 0.00 WAT +ATOM 61242 H1 TIP3 18311 20.846 37.608 36.248 1.00 0.00 WAT +ATOM 61243 H2 TIP3 18311 19.611 38.097 35.484 1.00 0.00 WAT +ATOM 61244 OH2 TIP3 18312 25.994 34.588 42.817 1.00 0.00 WAT +ATOM 61245 H1 TIP3 18312 25.665 34.956 43.651 1.00 0.00 WAT +ATOM 61246 H2 TIP3 18312 25.251 34.686 42.208 1.00 0.00 WAT +ATOM 61247 OH2 TIP3 18313 18.304 38.783 33.990 1.00 0.00 WAT +ATOM 61248 H1 TIP3 18313 17.735 38.448 33.280 1.00 0.00 WAT +ATOM 61249 H2 TIP3 18313 19.126 38.963 33.501 1.00 0.00 WAT +ATOM 61250 OH2 TIP3 18314 22.538 38.335 41.865 1.00 0.00 WAT +ATOM 61251 H1 TIP3 18314 23.303 38.022 41.357 1.00 0.00 WAT +ATOM 61252 H2 TIP3 18314 22.569 37.751 42.636 1.00 0.00 WAT +ATOM 61253 OH2 TIP3 18315 17.988 34.902 37.856 1.00 0.00 WAT +ATOM 61254 H1 TIP3 18315 17.422 34.126 38.005 1.00 0.00 WAT +ATOM 61255 H2 TIP3 18315 18.781 34.511 37.465 1.00 0.00 WAT +ATOM 61256 OH2 TIP3 18316 21.481 43.687 35.912 1.00 0.00 WAT +ATOM 61257 H1 TIP3 18316 20.940 43.030 35.430 1.00 0.00 WAT +ATOM 61258 H2 TIP3 18316 21.708 43.238 36.732 1.00 0.00 WAT +ATOM 61259 OH2 TIP3 18317 25.960 36.229 33.467 1.00 0.00 WAT +ATOM 61260 H1 TIP3 18317 24.982 36.132 33.542 1.00 0.00 WAT +ATOM 61261 H2 TIP3 18317 26.164 36.848 34.201 1.00 0.00 WAT +ATOM 61262 OH2 TIP3 18318 26.633 37.954 35.634 1.00 0.00 WAT +ATOM 61263 H1 TIP3 18318 27.495 37.800 36.068 1.00 0.00 WAT +ATOM 61264 H2 TIP3 18318 26.742 38.846 35.260 1.00 0.00 WAT +ATOM 61265 OH2 TIP3 18319 17.101 42.401 41.641 1.00 0.00 WAT +ATOM 61266 H1 TIP3 18319 17.689 42.382 40.857 1.00 0.00 WAT +ATOM 61267 H2 TIP3 18319 17.430 41.616 42.117 1.00 0.00 WAT +ATOM 61268 OH2 TIP3 18320 31.216 37.959 35.346 1.00 0.00 WAT +ATOM 61269 H1 TIP3 18320 30.626 37.835 34.575 1.00 0.00 WAT +ATOM 61270 H2 TIP3 18320 31.368 38.919 35.263 1.00 0.00 WAT +ATOM 61271 OH2 TIP3 18321 26.353 42.173 42.205 1.00 0.00 WAT +ATOM 61272 H1 TIP3 18321 25.614 41.860 42.748 1.00 0.00 WAT +ATOM 61273 H2 TIP3 18321 26.864 41.365 42.019 1.00 0.00 WAT +ATOM 61274 OH2 TIP3 18322 15.219 40.948 33.429 1.00 0.00 WAT +ATOM 61275 H1 TIP3 18322 15.805 41.547 33.916 1.00 0.00 WAT +ATOM 61276 H2 TIP3 18322 14.366 41.099 33.889 1.00 0.00 WAT +ATOM 61277 OH2 TIP3 18323 17.012 -43.858 35.282 1.00 0.00 WAT +ATOM 61278 H1 TIP3 18323 16.093 -43.540 35.408 1.00 0.00 WAT +ATOM 61279 H2 TIP3 18323 17.448 -43.033 35.025 1.00 0.00 WAT +ATOM 61280 OH2 TIP3 18324 25.329 34.781 36.343 1.00 0.00 WAT +ATOM 61281 H1 TIP3 18324 25.255 35.402 35.608 1.00 0.00 WAT +ATOM 61282 H2 TIP3 18324 25.625 35.357 37.073 1.00 0.00 WAT +ATOM 61283 OH2 TIP3 18325 22.580 36.911 37.268 1.00 0.00 WAT +ATOM 61284 H1 TIP3 18325 23.311 37.527 37.472 1.00 0.00 WAT +ATOM 61285 H2 TIP3 18325 22.233 36.713 38.160 1.00 0.00 WAT +ATOM 61286 OH2 TIP3 18326 23.060 33.936 38.171 1.00 0.00 WAT +ATOM 61287 H1 TIP3 18326 22.949 34.543 38.926 1.00 0.00 WAT +ATOM 61288 H2 TIP3 18326 23.870 34.297 37.766 1.00 0.00 WAT +ATOM 61289 OH2 TIP3 18327 18.832 34.946 34.738 1.00 0.00 WAT +ATOM 61290 H1 TIP3 18327 18.849 35.697 35.356 1.00 0.00 WAT +ATOM 61291 H2 TIP3 18327 19.635 34.460 35.008 1.00 0.00 WAT +ATOM 61292 OH2 TIP3 18328 27.623 39.707 41.326 1.00 0.00 WAT +ATOM 61293 H1 TIP3 18328 26.832 39.205 41.074 1.00 0.00 WAT +ATOM 61294 H2 TIP3 18328 28.199 38.997 41.701 1.00 0.00 WAT +ATOM 61295 OH2 TIP3 18329 15.370 38.001 32.957 1.00 0.00 WAT +ATOM 61296 H1 TIP3 18329 15.490 38.948 33.135 1.00 0.00 WAT +ATOM 61297 H2 TIP3 18329 14.524 37.985 32.493 1.00 0.00 WAT +ATOM 61298 OH2 TIP3 18330 16.285 33.001 41.713 1.00 0.00 WAT +ATOM 61299 H1 TIP3 18330 16.122 33.044 40.748 1.00 0.00 WAT +ATOM 61300 H2 TIP3 18330 15.915 32.141 41.952 1.00 0.00 WAT +ATOM 61301 OH2 TIP3 18331 19.979 41.615 34.655 1.00 0.00 WAT +ATOM 61302 H1 TIP3 18331 19.278 41.185 35.162 1.00 0.00 WAT +ATOM 61303 H2 TIP3 18331 20.119 40.977 33.929 1.00 0.00 WAT +ATOM 61304 OH2 TIP3 18332 20.778 39.580 32.840 1.00 0.00 WAT +ATOM 61305 H1 TIP3 18332 20.746 39.707 31.873 1.00 0.00 WAT +ATOM 61306 H2 TIP3 18332 21.738 39.574 33.005 1.00 0.00 WAT +ATOM 61307 OH2 TIP3 18333 30.087 41.886 32.068 1.00 0.00 WAT +ATOM 61308 H1 TIP3 18333 29.968 41.834 31.105 1.00 0.00 WAT +ATOM 61309 H2 TIP3 18333 30.142 42.848 32.238 1.00 0.00 WAT +ATOM 61310 OH2 TIP3 18334 30.812 43.652 36.457 1.00 0.00 WAT +ATOM 61311 H1 TIP3 18334 31.771 43.696 36.353 1.00 0.00 WAT +ATOM 61312 H2 TIP3 18334 30.675 42.827 36.947 1.00 0.00 WAT +ATOM 61313 OH2 TIP3 18335 31.281 41.330 38.121 1.00 0.00 WAT +ATOM 61314 H1 TIP3 18335 30.489 40.910 38.509 1.00 0.00 WAT +ATOM 61315 H2 TIP3 18335 31.833 41.504 38.907 1.00 0.00 WAT +ATOM 61316 OH2 TIP3 18336 31.446 40.927 34.614 1.00 0.00 WAT +ATOM 61317 H1 TIP3 18336 30.815 41.166 33.908 1.00 0.00 WAT +ATOM 61318 H2 TIP3 18336 31.313 41.648 35.241 1.00 0.00 WAT +ATOM 61319 OH2 TIP3 18337 29.723 38.421 32.948 1.00 0.00 WAT +ATOM 61320 H1 TIP3 18337 29.914 39.077 32.261 1.00 0.00 WAT +ATOM 61321 H2 TIP3 18337 29.493 37.625 32.431 1.00 0.00 WAT +ATOM 61322 OH2 TIP3 18338 28.975 39.655 38.845 1.00 0.00 WAT +ATOM 61323 H1 TIP3 18338 28.967 38.690 38.736 1.00 0.00 WAT +ATOM 61324 H2 TIP3 18338 28.651 39.754 39.764 1.00 0.00 WAT +ATOM 61325 OH2 TIP3 18339 13.896 41.327 42.668 1.00 0.00 WAT +ATOM 61326 H1 TIP3 18339 14.059 41.887 41.897 1.00 0.00 WAT +ATOM 61327 H2 TIP3 18339 14.655 41.518 43.239 1.00 0.00 WAT +ATOM 61328 OH2 TIP3 18340 29.206 35.745 32.158 1.00 0.00 WAT +ATOM 61329 H1 TIP3 18340 29.730 35.273 32.834 1.00 0.00 WAT +ATOM 61330 H2 TIP3 18340 28.356 35.286 32.176 1.00 0.00 WAT +ATOM 61331 OH2 TIP3 18341 28.985 37.062 37.092 1.00 0.00 WAT +ATOM 61332 H1 TIP3 18341 29.213 36.112 37.176 1.00 0.00 WAT +ATOM 61333 H2 TIP3 18341 29.805 37.402 36.695 1.00 0.00 WAT +ATOM 61334 OH2 TIP3 18342 29.223 37.782 42.223 1.00 0.00 WAT +ATOM 61335 H1 TIP3 18342 30.177 37.733 42.407 1.00 0.00 WAT +ATOM 61336 H2 TIP3 18342 28.835 37.430 43.046 1.00 0.00 WAT +ATOM 61337 OH2 TIP3 18343 29.531 34.278 37.083 1.00 0.00 WAT +ATOM 61338 H1 TIP3 18343 29.466 33.945 37.996 1.00 0.00 WAT +ATOM 61339 H2 TIP3 18343 28.799 33.795 36.640 1.00 0.00 WAT +ATOM 61340 OH2 TIP3 18344 14.711 35.595 41.907 1.00 0.00 WAT +ATOM 61341 H1 TIP3 18344 14.980 34.671 42.037 1.00 0.00 WAT +ATOM 61342 H2 TIP3 18344 15.250 36.030 42.577 1.00 0.00 WAT +ATOM 61343 OH2 TIP3 18345 13.102 38.438 43.026 1.00 0.00 WAT +ATOM 61344 H1 TIP3 18345 13.528 38.101 42.223 1.00 0.00 WAT +ATOM 61345 H2 TIP3 18345 13.358 39.384 42.993 1.00 0.00 WAT +ATOM 61346 OH2 TIP3 18346 31.231 34.553 33.763 1.00 0.00 WAT +ATOM 61347 H1 TIP3 18346 31.681 33.853 33.271 1.00 0.00 WAT +ATOM 61348 H2 TIP3 18346 31.951 35.174 33.947 1.00 0.00 WAT +ATOM 61349 OH2 TIP3 18347 13.656 34.467 36.933 1.00 0.00 WAT +ATOM 61350 H1 TIP3 18347 12.707 34.525 36.727 1.00 0.00 WAT +ATOM 61351 H2 TIP3 18347 14.059 35.082 36.288 1.00 0.00 WAT +ATOM 61352 OH2 TIP3 18348 23.563 34.394 41.241 1.00 0.00 WAT +ATOM 61353 H1 TIP3 18348 22.971 33.673 41.533 1.00 0.00 WAT +ATOM 61354 H2 TIP3 18348 24.260 33.892 40.768 1.00 0.00 WAT +ATOM 61355 OH2 TIP3 18349 28.530 33.141 41.447 1.00 0.00 WAT +ATOM 61356 H1 TIP3 18349 29.362 32.669 41.329 1.00 0.00 WAT +ATOM 61357 H2 TIP3 18349 27.838 32.492 41.299 1.00 0.00 WAT +ATOM 61358 OH2 TIP3 18350 30.732 33.367 39.555 1.00 0.00 WAT +ATOM 61359 H1 TIP3 18350 31.471 33.108 38.988 1.00 0.00 WAT +ATOM 61360 H2 TIP3 18350 30.928 34.299 39.758 1.00 0.00 WAT +ATOM 61361 OH2 TIP3 18351 15.950 33.013 38.877 1.00 0.00 WAT +ATOM 61362 H1 TIP3 18351 15.094 32.871 38.427 1.00 0.00 WAT +ATOM 61363 H2 TIP3 18351 16.380 32.150 38.733 1.00 0.00 WAT +ATOM 61364 OH2 TIP3 18352 14.774 32.498 34.776 1.00 0.00 WAT +ATOM 61365 H1 TIP3 18352 15.273 33.161 34.261 1.00 0.00 WAT +ATOM 61366 H2 TIP3 18352 14.356 33.043 35.461 1.00 0.00 WAT +ATOM 61367 OH2 TIP3 18353 20.463 32.766 38.899 1.00 0.00 WAT +ATOM 61368 H1 TIP3 18353 21.353 33.120 38.734 1.00 0.00 WAT +ATOM 61369 H2 TIP3 18353 20.471 32.687 39.863 1.00 0.00 WAT +ATOM 61370 OH2 TIP3 18354 25.742 32.925 39.989 1.00 0.00 WAT +ATOM 61371 H1 TIP3 18354 26.246 32.640 39.220 1.00 0.00 WAT +ATOM 61372 H2 TIP3 18354 25.570 32.088 40.450 1.00 0.00 WAT +ATOM 61373 OH2 TIP3 18355 27.392 32.909 35.902 1.00 0.00 WAT +ATOM 61374 H1 TIP3 18355 26.599 33.484 35.925 1.00 0.00 WAT +ATOM 61375 H2 TIP3 18355 27.019 32.067 36.200 1.00 0.00 WAT +ATOM 61376 OH2 TIP3 18356 16.473 34.324 33.209 1.00 0.00 WAT +ATOM 61377 H1 TIP3 18356 17.076 33.762 32.692 1.00 0.00 WAT +ATOM 61378 H2 TIP3 18356 17.074 34.649 33.907 1.00 0.00 WAT +ATOM 61379 OH2 TIP3 18357 21.604 34.505 35.813 1.00 0.00 WAT +ATOM 61380 H1 TIP3 18357 21.944 33.953 36.537 1.00 0.00 WAT +ATOM 61381 H2 TIP3 18357 21.737 35.382 36.205 1.00 0.00 WAT +ATOM 61382 OH2 TIP3 18358 41.947 41.015 42.430 1.00 0.00 WAT +ATOM 61383 H1 TIP3 18358 42.728 41.150 42.995 1.00 0.00 WAT +ATOM 61384 H2 TIP3 18358 42.358 40.865 41.574 1.00 0.00 WAT +ATOM 61385 OH2 TIP3 18359 32.811 38.886 37.737 1.00 0.00 WAT +ATOM 61386 H1 TIP3 18359 32.351 39.735 37.869 1.00 0.00 WAT +ATOM 61387 H2 TIP3 18359 32.084 38.311 37.478 1.00 0.00 WAT +ATOM 61388 OH2 TIP3 18360 33.707 41.288 39.736 1.00 0.00 WAT +ATOM 61389 H1 TIP3 18360 33.732 40.534 40.356 1.00 0.00 WAT +ATOM 61390 H2 TIP3 18360 34.517 41.115 39.245 1.00 0.00 WAT +ATOM 61391 OH2 TIP3 18361 37.350 36.036 40.414 1.00 0.00 WAT +ATOM 61392 H1 TIP3 18361 37.558 36.889 39.991 1.00 0.00 WAT +ATOM 61393 H2 TIP3 18361 36.999 35.543 39.655 1.00 0.00 WAT +ATOM 61394 OH2 TIP3 18362 34.326 38.705 40.983 1.00 0.00 WAT +ATOM 61395 H1 TIP3 18362 34.771 38.112 41.594 1.00 0.00 WAT +ATOM 61396 H2 TIP3 18362 34.360 38.197 40.154 1.00 0.00 WAT +ATOM 61397 OH2 TIP3 18363 39.416 40.135 40.563 1.00 0.00 WAT +ATOM 61398 H1 TIP3 18363 40.161 39.563 40.848 1.00 0.00 WAT +ATOM 61399 H2 TIP3 18363 38.940 39.523 39.974 1.00 0.00 WAT +ATOM 61400 OH2 TIP3 18364 36.586 36.938 42.988 1.00 0.00 WAT +ATOM 61401 H1 TIP3 18364 36.496 37.873 42.780 1.00 0.00 WAT +ATOM 61402 H2 TIP3 18364 36.587 36.500 42.116 1.00 0.00 WAT +ATOM 61403 OH2 TIP3 18365 40.306 32.390 41.651 1.00 0.00 WAT +ATOM 61404 H1 TIP3 18365 40.283 31.443 41.856 1.00 0.00 WAT +ATOM 61405 H2 TIP3 18365 39.563 32.723 42.189 1.00 0.00 WAT +ATOM 61406 OH2 TIP3 18366 42.685 41.248 36.301 1.00 0.00 WAT +ATOM 61407 H1 TIP3 18366 41.998 41.898 36.058 1.00 0.00 WAT +ATOM 61408 H2 TIP3 18366 43.325 41.405 35.606 1.00 0.00 WAT +ATOM 61409 OH2 TIP3 18367 42.851 39.414 33.635 1.00 0.00 WAT +ATOM 61410 H1 TIP3 18367 43.729 39.700 33.927 1.00 0.00 WAT +ATOM 61411 H2 TIP3 18367 42.998 39.131 32.728 1.00 0.00 WAT +ATOM 61412 OH2 TIP3 18368 37.425 42.037 39.374 1.00 0.00 WAT +ATOM 61413 H1 TIP3 18368 37.347 41.785 38.438 1.00 0.00 WAT +ATOM 61414 H2 TIP3 18368 38.285 41.650 39.609 1.00 0.00 WAT +ATOM 61415 OH2 TIP3 18369 37.841 40.820 42.866 1.00 0.00 WAT +ATOM 61416 H1 TIP3 18369 38.501 40.795 42.149 1.00 0.00 WAT +ATOM 61417 H2 TIP3 18369 38.216 41.448 43.497 1.00 0.00 WAT +ATOM 61418 OH2 TIP3 18370 36.496 40.870 36.769 1.00 0.00 WAT +ATOM 61419 H1 TIP3 18370 36.306 41.662 36.225 1.00 0.00 WAT +ATOM 61420 H2 TIP3 18370 35.805 40.255 36.497 1.00 0.00 WAT +ATOM 61421 OH2 TIP3 18371 37.890 33.298 42.919 1.00 0.00 WAT +ATOM 61422 H1 TIP3 18371 37.047 33.235 42.437 1.00 0.00 WAT +ATOM 61423 H2 TIP3 18371 37.975 34.254 43.101 1.00 0.00 WAT +ATOM 61424 OH2 TIP3 18372 42.159 35.511 33.260 1.00 0.00 WAT +ATOM 61425 H1 TIP3 18372 41.713 35.519 34.110 1.00 0.00 WAT +ATOM 61426 H2 TIP3 18372 41.894 34.673 32.880 1.00 0.00 WAT +ATOM 61427 OH2 TIP3 18373 37.752 38.354 38.835 1.00 0.00 WAT +ATOM 61428 H1 TIP3 18373 36.795 38.269 38.674 1.00 0.00 WAT +ATOM 61429 H2 TIP3 18373 38.104 38.160 37.949 1.00 0.00 WAT +ATOM 61430 OH2 TIP3 18374 42.710 38.874 38.334 1.00 0.00 WAT +ATOM 61431 H1 TIP3 18374 42.661 39.796 38.032 1.00 0.00 WAT +ATOM 61432 H2 TIP3 18374 43.644 38.749 38.554 1.00 0.00 WAT +ATOM 61433 OH2 TIP3 18375 38.724 35.656 32.271 1.00 0.00 WAT +ATOM 61434 H1 TIP3 18375 38.338 35.564 33.163 1.00 0.00 WAT +ATOM 61435 H2 TIP3 18375 38.092 36.239 31.838 1.00 0.00 WAT +ATOM 61436 OH2 TIP3 18376 32.084 36.012 39.395 1.00 0.00 WAT +ATOM 61437 H1 TIP3 18376 32.583 35.907 40.226 1.00 0.00 WAT +ATOM 61438 H2 TIP3 18376 32.569 35.465 38.765 1.00 0.00 WAT +ATOM 61439 OH2 TIP3 18377 33.517 36.285 35.083 1.00 0.00 WAT +ATOM 61440 H1 TIP3 18377 34.083 36.774 34.452 1.00 0.00 WAT +ATOM 61441 H2 TIP3 18377 32.862 36.973 35.306 1.00 0.00 WAT +ATOM 61442 OH2 TIP3 18378 40.412 35.790 39.834 1.00 0.00 WAT +ATOM 61443 H1 TIP3 18378 39.508 35.848 40.182 1.00 0.00 WAT +ATOM 61444 H2 TIP3 18378 40.920 35.825 40.662 1.00 0.00 WAT +ATOM 61445 OH2 TIP3 18379 35.108 37.169 38.506 1.00 0.00 WAT +ATOM 61446 H1 TIP3 18379 34.264 37.434 38.101 1.00 0.00 WAT +ATOM 61447 H2 TIP3 18379 35.361 36.372 38.007 1.00 0.00 WAT +ATOM 61448 OH2 TIP3 18380 38.760 37.436 36.150 1.00 0.00 WAT +ATOM 61449 H1 TIP3 18380 39.705 37.623 36.278 1.00 0.00 WAT +ATOM 61450 H2 TIP3 18380 38.479 38.091 35.489 1.00 0.00 WAT +ATOM 61451 OH2 TIP3 18381 37.196 38.660 33.917 1.00 0.00 WAT +ATOM 61452 H1 TIP3 18381 36.675 38.481 33.117 1.00 0.00 WAT +ATOM 61453 H2 TIP3 18381 38.025 38.981 33.522 1.00 0.00 WAT +ATOM 61454 OH2 TIP3 18382 41.219 38.148 41.486 1.00 0.00 WAT +ATOM 61455 H1 TIP3 18382 41.993 37.857 40.991 1.00 0.00 WAT +ATOM 61456 H2 TIP3 18382 41.501 37.959 42.398 1.00 0.00 WAT +ATOM 61457 OH2 TIP3 18383 36.812 34.870 37.720 1.00 0.00 WAT +ATOM 61458 H1 TIP3 18383 36.287 34.106 38.011 1.00 0.00 WAT +ATOM 61459 H2 TIP3 18383 37.695 34.492 37.617 1.00 0.00 WAT +ATOM 61460 OH2 TIP3 18384 40.675 43.335 35.926 1.00 0.00 WAT +ATOM 61461 H1 TIP3 18384 39.935 42.914 35.445 1.00 0.00 WAT +ATOM 61462 H2 TIP3 18384 40.435 43.213 36.852 1.00 0.00 WAT +ATOM 61463 OH2 TIP3 18385 35.946 42.365 41.652 1.00 0.00 WAT +ATOM 61464 H1 TIP3 18385 36.555 42.367 40.883 1.00 0.00 WAT +ATOM 61465 H2 TIP3 18385 36.302 41.596 42.135 1.00 0.00 WAT +ATOM 61466 OH2 TIP3 18386 34.095 40.929 33.433 1.00 0.00 WAT +ATOM 61467 H1 TIP3 18386 34.682 41.542 33.903 1.00 0.00 WAT +ATOM 61468 H2 TIP3 18386 33.241 41.105 33.880 1.00 0.00 WAT +ATOM 61469 OH2 TIP3 18387 35.835 -43.863 35.286 1.00 0.00 WAT +ATOM 61470 H1 TIP3 18387 34.933 -43.511 35.425 1.00 0.00 WAT +ATOM 61471 H2 TIP3 18387 36.305 -43.061 35.013 1.00 0.00 WAT +ATOM 61472 OH2 TIP3 18388 41.413 36.778 37.228 1.00 0.00 WAT +ATOM 61473 H1 TIP3 18388 41.996 37.500 37.556 1.00 0.00 WAT +ATOM 61474 H2 TIP3 18388 41.035 36.523 38.091 1.00 0.00 WAT +ATOM 61475 OH2 TIP3 18389 41.843 33.947 38.294 1.00 0.00 WAT +ATOM 61476 H1 TIP3 18389 41.622 34.600 38.998 1.00 0.00 WAT +ATOM 61477 H2 TIP3 18389 42.741 34.242 38.074 1.00 0.00 WAT +ATOM 61478 OH2 TIP3 18390 37.785 34.902 34.734 1.00 0.00 WAT +ATOM 61479 H1 TIP3 18390 37.536 35.659 35.294 1.00 0.00 WAT +ATOM 61480 H2 TIP3 18390 38.628 34.658 35.167 1.00 0.00 WAT +ATOM 61481 OH2 TIP3 18391 34.222 37.992 32.907 1.00 0.00 WAT +ATOM 61482 H1 TIP3 18391 34.378 38.928 33.117 1.00 0.00 WAT +ATOM 61483 H2 TIP3 18391 33.335 38.012 32.529 1.00 0.00 WAT +ATOM 61484 OH2 TIP3 18392 35.126 33.005 41.708 1.00 0.00 WAT +ATOM 61485 H1 TIP3 18392 34.939 33.020 40.750 1.00 0.00 WAT +ATOM 61486 H2 TIP3 18392 34.789 32.143 41.986 1.00 0.00 WAT +ATOM 61487 OH2 TIP3 18393 38.730 41.653 34.620 1.00 0.00 WAT +ATOM 61488 H1 TIP3 18393 38.148 41.123 35.179 1.00 0.00 WAT +ATOM 61489 H2 TIP3 18393 39.026 41.008 33.952 1.00 0.00 WAT +ATOM 61490 OH2 TIP3 18394 39.775 39.555 32.954 1.00 0.00 WAT +ATOM 61491 H1 TIP3 18394 39.759 39.610 31.976 1.00 0.00 WAT +ATOM 61492 H2 TIP3 18394 40.734 39.621 33.121 1.00 0.00 WAT +ATOM 61493 OH2 TIP3 18395 32.742 41.348 42.680 1.00 0.00 WAT +ATOM 61494 H1 TIP3 18395 32.923 41.889 41.901 1.00 0.00 WAT +ATOM 61495 H2 TIP3 18395 33.518 41.514 43.239 1.00 0.00 WAT +ATOM 61496 OH2 TIP3 18396 33.580 35.604 41.894 1.00 0.00 WAT +ATOM 61497 H1 TIP3 18396 33.835 34.679 42.049 1.00 0.00 WAT +ATOM 61498 H2 TIP3 18396 34.103 36.037 42.579 1.00 0.00 WAT +ATOM 61499 OH2 TIP3 18397 31.935 38.446 43.020 1.00 0.00 WAT +ATOM 61500 H1 TIP3 18397 32.398 38.086 42.249 1.00 0.00 WAT +ATOM 61501 H2 TIP3 18397 32.227 39.380 42.997 1.00 0.00 WAT +ATOM 61502 OH2 TIP3 18398 32.499 34.388 36.885 1.00 0.00 WAT +ATOM 61503 H1 TIP3 18398 31.537 34.509 36.765 1.00 0.00 WAT +ATOM 61504 H2 TIP3 18398 32.880 35.069 36.297 1.00 0.00 WAT +ATOM 61505 OH2 TIP3 18399 42.609 34.192 41.169 1.00 0.00 WAT +ATOM 61506 H1 TIP3 18399 41.967 33.647 41.654 1.00 0.00 WAT +ATOM 61507 H2 TIP3 18399 43.113 33.521 40.706 1.00 0.00 WAT +ATOM 61508 OH2 TIP3 18400 34.782 33.004 38.845 1.00 0.00 WAT +ATOM 61509 H1 TIP3 18400 33.935 32.837 38.391 1.00 0.00 WAT +ATOM 61510 H2 TIP3 18400 35.221 32.139 38.751 1.00 0.00 WAT +ATOM 61511 OH2 TIP3 18401 33.492 32.533 34.719 1.00 0.00 WAT +ATOM 61512 H1 TIP3 18401 34.086 33.151 34.251 1.00 0.00 WAT +ATOM 61513 H2 TIP3 18401 33.225 33.064 35.491 1.00 0.00 WAT +ATOM 61514 OH2 TIP3 18402 39.310 32.793 38.873 1.00 0.00 WAT +ATOM 61515 H1 TIP3 18402 40.203 33.158 38.725 1.00 0.00 WAT +ATOM 61516 H2 TIP3 18402 39.333 32.702 39.840 1.00 0.00 WAT +ATOM 61517 OH2 TIP3 18403 35.315 34.307 33.167 1.00 0.00 WAT +ATOM 61518 H1 TIP3 18403 35.968 33.799 32.660 1.00 0.00 WAT +ATOM 61519 H2 TIP3 18403 35.871 34.713 33.854 1.00 0.00 WAT +ATOM 61520 OH2 TIP3 18404 40.378 34.381 35.754 1.00 0.00 WAT +ATOM 61521 H1 TIP3 18404 40.687 33.844 36.507 1.00 0.00 WAT +ATOM 61522 H2 TIP3 18404 40.533 35.273 36.114 1.00 0.00 WAT +ATOM 61523 SOD SOD 1 20.361 26.540 1.534 1.00 0.00 SOD +ATOM 61524 SOD SOD 2 29.491 20.058 -18.991 1.00 0.00 SOD +ATOM 61525 SOD SOD 3 -28.219 -18.225 -16.801 1.00 0.00 SOD +ATOM 61526 SOD SOD 4 3.972 43.148 2.064 1.00 0.00 SOD +ATOM 61527 SOD SOD 5 10.164 -14.302 -19.212 1.00 0.00 SOD +ATOM 61528 SOD SOD 6 -28.564 -10.531 -7.537 1.00 0.00 SOD +ATOM 61529 SOD SOD 7 0.943 3.701 41.921 1.00 0.00 SOD +ATOM 61530 SOD SOD 8 29.081 -21.054 -29.327 1.00 0.00 SOD +ATOM 61531 SOD SOD 9 -1.462 -31.326 -18.460 1.00 0.00 SOD +ATOM 61532 SOD SOD 10 15.342 -4.981 18.906 1.00 0.00 SOD +ATOM 61533 SOD SOD 11 -15.976 -24.894 14.626 1.00 0.00 SOD +ATOM 61534 SOD SOD 12 -29.354 -10.849 -28.278 1.00 0.00 SOD +ATOM 61535 SOD SOD 13 35.117 -17.221 10.062 1.00 0.00 SOD +ATOM 61536 SOD SOD 14 -18.849 -37.239 10.310 1.00 0.00 SOD +ATOM 61537 SOD SOD 15 -22.247 3.396 20.265 1.00 0.00 SOD +ATOM 61538 SOD SOD 16 32.687 7.468 -9.484 1.00 0.00 SOD +ATOM 61539 SOD SOD 17 31.575 -9.505 18.511 1.00 0.00 SOD +ATOM 61540 SOD SOD 18 18.886 8.731 -19.236 1.00 0.00 SOD +ATOM 61541 SOD SOD 19 -5.582 -8.502 36.189 1.00 0.00 SOD +ATOM 61542 SOD SOD 20 8.582 13.054 -26.348 1.00 0.00 SOD +ATOM 61543 SOD SOD 21 -32.090 33.701 16.636 1.00 0.00 SOD +ATOM 61544 SOD SOD 22 -4.218 25.148 -42.717 1.00 0.00 SOD +ATOM 61545 SOD SOD 23 -18.787 40.141 4.092 1.00 0.00 SOD +ATOM 61546 SOD SOD 24 -33.579 -22.453 -38.111 1.00 0.00 SOD +ATOM 61547 SOD SOD 25 -32.989 -3.245 14.748 1.00 0.00 SOD +ATOM 61548 SOD SOD 26 -9.524 -23.032 -17.710 1.00 0.00 SOD +ATOM 61549 SOD SOD 27 29.109 -10.524 -27.579 1.00 0.00 SOD +ATOM 61550 SOD SOD 28 -2.673 -33.060 42.625 1.00 0.00 SOD +ATOM 61551 SOD SOD 29 9.179 36.953 -18.986 1.00 0.00 SOD +ATOM 61552 SOD SOD 30 -42.990 -4.306 -26.671 1.00 0.00 SOD +ATOM 61553 SOD SOD 31 -7.179 16.523 28.896 1.00 0.00 SOD +ATOM 61554 SOD SOD 32 -0.199 -21.699 1.309 1.00 0.00 SOD +ATOM 61555 SOD SOD 33 31.999 1.241 22.210 1.00 0.00 SOD +ATOM 61556 SOD SOD 34 34.265 19.300 -3.416 1.00 0.00 SOD +ATOM 61557 SOD SOD 35 25.971 10.857 25.276 1.00 0.00 SOD +ATOM 61558 SOD SOD 36 38.698 6.688 41.272 1.00 0.00 SOD +ATOM 61559 SOD SOD 37 -41.678 -34.290 -14.129 1.00 0.00 SOD +ATOM 61560 SOD SOD 38 5.508 -23.552 -1.709 1.00 0.00 SOD +ATOM 61561 SOD SOD 39 -28.037 7.738 10.278 1.00 0.00 SOD +ATOM 61562 SOD SOD 40 28.386 -34.869 30.612 1.00 0.00 SOD +ATOM 61563 SOD SOD 41 4.751 -22.681 14.542 1.00 0.00 SOD +ATOM 61564 SOD SOD 42 -0.466 27.949 -15.942 1.00 0.00 SOD +ATOM 61565 SOD SOD 43 -31.195 17.849 -1.745 1.00 0.00 SOD +ATOM 61566 SOD SOD 44 36.918 35.647 25.682 1.00 0.00 SOD +ATOM 61567 SOD SOD 45 11.596 -26.774 4.052 1.00 0.00 SOD +ATOM 61568 SOD SOD 46 21.816 20.976 -43.584 1.00 0.00 SOD +ATOM 61569 SOD SOD 47 24.994 -35.520 36.224 1.00 0.00 SOD +ATOM 61570 SOD SOD 48 -31.499 26.368 25.454 1.00 0.00 SOD +ATOM 61571 SOD SOD 49 -36.110 -13.693 -3.037 1.00 0.00 SOD +ATOM 61572 SOD SOD 50 31.787 42.168 -19.139 1.00 0.00 SOD +ATOM 61573 SOD SOD 51 -15.439 33.850 39.849 1.00 0.00 SOD +ATOM 61574 SOD SOD 52 39.059 32.261 32.862 1.00 0.00 SOD +ATOM 61575 SOD SOD 53 -14.003 12.584 -25.422 1.00 0.00 SOD +ATOM 61576 SOD SOD 54 6.242 40.435 24.212 1.00 0.00 SOD +ATOM 61577 SOD SOD 55 -5.725 -39.521 28.072 1.00 0.00 SOD +ATOM 61578 SOD SOD 56 -22.872 24.961 -14.858 1.00 0.00 SOD +ATOM 61579 SOD SOD 57 -42.958 -13.533 41.171 1.00 0.00 SOD +ATOM 61580 SOD SOD 58 40.091 23.331 -15.431 1.00 0.00 SOD +ATOM 61581 SOD SOD 59 39.812 37.813 -33.929 1.00 0.00 SOD +ATOM 61582 SOD SOD 60 -28.009 -9.017 21.311 1.00 0.00 SOD +ATOM 61583 SOD SOD 61 0.539 21.412 -31.234 1.00 0.00 SOD +ATOM 61584 SOD SOD 62 17.422 -16.946 -36.839 1.00 0.00 SOD +ATOM 61585 SOD SOD 63 -13.279 36.770 31.724 1.00 0.00 SOD +ATOM 61586 SOD SOD 64 20.225 -15.504 18.706 1.00 0.00 SOD +ATOM 61587 SOD SOD 65 -37.808 18.109 27.063 1.00 0.00 SOD +ATOM 61588 SOD SOD 66 -15.635 7.243 26.242 1.00 0.00 SOD +ATOM 61589 SOD SOD 67 -14.575 -14.376 19.163 1.00 0.00 SOD +ATOM 61590 SOD SOD 68 39.382 -14.954 -1.041 1.00 0.00 SOD +ATOM 61591 SOD SOD 69 -41.772 6.851 -31.564 1.00 0.00 SOD +ATOM 61592 SOD SOD 70 -34.752 -25.567 33.644 1.00 0.00 SOD +ATOM 61593 SOD SOD 71 38.435 -17.035 19.450 1.00 0.00 SOD +ATOM 61594 SOD SOD 72 -30.647 11.306 -31.417 1.00 0.00 SOD +ATOM 61595 SOD SOD 73 29.112 30.907 32.539 1.00 0.00 SOD +ATOM 61596 SOD SOD 74 -1.460 -34.465 -34.679 1.00 0.00 SOD +ATOM 61597 SOD SOD 75 41.422 11.502 21.285 1.00 0.00 SOD +ATOM 61598 CLA CLA 1 37.227 39.315 -4.320 1.00 0.00 CLA +ATOM 61599 CLA CLA 2 5.975 -34.097 -14.115 1.00 0.00 CLA +ATOM 61600 CLA CLA 3 3.049 -40.330 0.268 1.00 0.00 CLA +ATOM 61601 CLA CLA 4 -29.182 -19.908 -21.287 1.00 0.00 CLA +ATOM 61602 CLA CLA 5 32.119 26.809 -14.613 1.00 0.00 CLA +ATOM 61603 CLA CLA 6 -12.762 38.902 39.703 1.00 0.00 CLA +ATOM 61604 CLA CLA 7 -41.352 -6.310 -21.092 1.00 0.00 CLA +ATOM 61605 CLA CLA 8 -40.105 19.915 21.883 1.00 0.00 CLA +ATOM 61606 CLA CLA 9 -37.875 -10.640 -26.651 1.00 0.00 CLA +ATOM 61607 CLA CLA 10 -22.511 41.548 12.784 1.00 0.00 CLA +ATOM 61608 CLA CLA 11 35.216 33.731 -35.093 1.00 0.00 CLA +ATOM 61609 CLA CLA 12 -40.102 5.647 -2.397 1.00 0.00 CLA +ATOM 61610 CLA CLA 13 39.024 -12.398 -40.371 1.00 0.00 CLA +ATOM 61611 CLA CLA 14 18.261 -39.450 23.742 1.00 0.00 CLA +ATOM 61612 CLA CLA 15 6.178 41.435 -35.101 1.00 0.00 CLA +ATOM 61613 CLA CLA 16 24.358 15.109 39.388 1.00 0.00 CLA +ATOM 61614 CLA CLA 17 6.888 21.632 -18.643 1.00 0.00 CLA +ATOM 61615 CLA CLA 18 21.744 6.136 36.952 1.00 0.00 CLA +ATOM 61616 CLA CLA 19 37.313 -8.363 36.386 1.00 0.00 CLA +ATOM 61617 CLA CLA 20 -2.999 -20.832 23.104 1.00 0.00 CLA +ATOM 61618 CLA CLA 21 2.857 18.626 -27.815 1.00 0.00 CLA +ATOM 61619 CLA CLA 22 4.436 -15.917 42.798 1.00 0.00 CLA +ATOM 61620 CLA CLA 23 -36.824 -9.651 27.515 1.00 0.00 CLA +ATOM 61621 CLA CLA 24 30.595 -26.534 -13.854 1.00 0.00 CLA +ATOM 61622 CLA CLA 25 2.683 14.798 30.965 1.00 0.00 CLA +ATOM 61623 CLA CLA 26 29.848 -11.446 -12.895 1.00 0.00 CLA +ATOM 61624 CLA CLA 27 42.574 -16.385 39.148 1.00 0.00 CLA +ATOM 61625 CLA CLA 28 21.090 22.680 27.072 1.00 0.00 CLA +ATOM 61626 CLA CLA 29 31.477 21.841 -9.460 1.00 0.00 CLA +ATOM 61627 CLA CLA 30 -42.789 33.106 -42.003 1.00 0.00 CLA +ATOM 61628 CLA CLA 31 41.212 26.460 28.038 1.00 0.00 CLA +ATOM 61629 CLA CLA 32 31.330 -23.211 30.873 1.00 0.00 CLA +ATOM 61630 CLA CLA 33 -11.882 24.746 17.676 1.00 0.00 CLA +ATOM 61631 CLA CLA 34 42.509 41.966 29.673 1.00 0.00 CLA +ATOM 61632 CLA CLA 35 -21.155 -25.909 40.988 1.00 0.00 CLA +ATOM 61633 CLA CLA 36 -16.645 33.397 -20.493 1.00 0.00 CLA +ATOM 61634 CLA CLA 37 24.008 16.848 3.761 1.00 0.00 CLA +ATOM 61635 CLA CLA 38 -3.042 -26.229 -6.954 1.00 0.00 CLA +ATOM 61636 CLA CLA 39 -25.242 -29.525 -14.531 1.00 0.00 CLA +ATOM 61637 CLA CLA 40 34.942 -28.883 -36.691 1.00 0.00 CLA +ATOM 61638 CLA CLA 41 -35.913 -6.707 3.266 1.00 0.00 CLA +ATOM 61639 CLA CLA 42 -30.968 4.607 -32.953 1.00 0.00 CLA +ATOM 61640 CLA CLA 43 -5.809 15.242 42.418 1.00 0.00 CLA +ATOM 61641 CLA CLA 44 39.399 18.809 -13.827 1.00 0.00 CLA +ATOM 61642 CLA CLA 45 -15.805 29.210 -37.376 1.00 0.00 CLA +ATOM 61643 CLA CLA 46 0.091 -36.491 -34.859 1.00 0.00 CLA +ATOM 61644 CLA CLA 47 -12.875 -40.099 38.366 1.00 0.00 CLA +ATOM 61645 CLA CLA 48 -24.191 19.188 36.959 1.00 0.00 CLA +ATOM 61646 CLA CLA 49 16.215 -18.186 -29.406 1.00 0.00 CLA +ATOM 61647 CLA CLA 50 34.647 -7.708 -32.869 1.00 0.00 CLA +ATOM 61648 CLA CLA 51 -20.320 -38.996 6.847 1.00 0.00 CLA +ATOM 61649 CLA CLA 52 -28.453 0.614 -25.838 1.00 0.00 CLA +TER 61650 CLA 52 +END
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/test.yml Mon Aug 24 16:27:56 2020 -0400 @@ -0,0 +1,36 @@ +ramachandran1: + phi: + atom1: + segid: HET + resid: 3 + name: O5 + atom2: + segid: HET + resid: 3 + name: C1 + atom3: + segid: HET + resid: 2 + name: O4 + atom4: + segid: HET + resid: 2 + name: C4 + psi: + atom1: + segid: HET + resid: 3 + name: C1 + atom2: + segid: HET + resid: 2 + name: O4 + atom3: + segid: HET + resid: 2 + name: C4 + atom4: + segid: HET + resid: 2 + name: C5 + comment: pick visually using VMD using labels. Go to labels, dihedral to see the information about resname resid and atomname and then lookup the segname for ach atom.