changeset 0:79c856227ff1 draft

"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f6acbf6f5875904c5b0c69445da0bf44932611c6"
author chemteam
date Tue, 30 Nov 2021 10:00:44 +0000
parents
children 5b4ae74b7f0b
files acpype_Amber2Gromacs.xml macros.xml parmconv.py template_mmpbsa_mmgbsa.j2 template_parmconv.j2 test-data/1err_desolvated_mini.nc test-data/JZ4.mol2 test-data/LigA.mol2 test-data/LigA.pdb test-data/LigA_output.mol2 test-data/LigA_output.pdb test-data/LigA_output.top test-data/LigA_output.txt test-data/LigA_prmchk.mol2 test-data/base_GMX.gro test-data/base_GMX.itp test-data/cid1.inpcrd test-data/cid1.prmtop test-data/complex.prmtop test-data/ligand.prmtop test-data/receptor.prmtop test-data/solv_ions.gro test-data/topol_solv.top
diffstat 23 files changed, 97281 insertions(+), 0 deletions(-) [+]
line wrap: on
line diff
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/acpype_Amber2Gromacs.xml	Tue Nov 30 10:00:44 2021 +0000
@@ -0,0 +1,64 @@
+<tool id="acpype_Amber2Gromacs" name="Convert Amber topology and coordinate files to GROMACS format" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@">
+    <description>using acpype</description>
+    <macros>
+        <import>macros.xml</import>
+        <token name="@GALAXY_VERSION@">0</token>
+    </macros>
+    <expand macro="requirements">
+        <requirement type="package" version="2021.02.05.22.15">acpype</requirement>
+    </expand>
+    <command detect_errors="exit_code"><![CDATA[
+        ln -s '$input1' ./input1.${input1.ext} &&
+        ln -s '$input2' ./input2.${input2.ext} &&
+        acpype -p './input1.${input1.ext}' -x './input2.${input2.ext}' 
+        
+    ]]></command>
+    <inputs>
+        <param name="input1" type="data" format="txt" label="Amber Topology file" help="Topology file (prmtop) generated in Tleap"/>
+        <param name="input2" type="data" format="txt" label="Amber Coordinate file" help="Coordinate file (inpcrd) generated in Tleap"/>
+    </inputs>
+    <outputs>
+        <data format="top" name="top_output" label="GROMACS topology file" from_work_dir='*.top'/>
+        <data format="gro" name="gro_output" label="GROMACS coordinate file" from_work_dir="*.gro"/>
+    </outputs>
+    <tests>
+        <test>
+            <param name="input1" value="cid1.prmtop"/>
+            <param name="input2" value="cid1.inpcrd"/>
+            <output name="top_output">
+                <assert_contents>
+                    <has_line line="[ defaults ]"/>
+                    <has_text text="1               2               yes             0.5     0.8333"/>
+                    <has_text text=" ca       ca          0.00000  0.00000   A     3.39967e-01   3.59824e-01 ; 1.91  0.0860"/>
+                </assert_contents>
+            </output>
+            <output name="gro_output">
+                <assert_contents>
+                    <has_text text=" 42"/>
+                    <has_text text="    1  UNL   C1    1  41.372  -2.389   7.399"/>
+                    <has_text text="    1  UNL  H42   42  41.256  -2.276   7.041"/>
+                    <has_text text="   11.59200    12.19000    23.64000"/>
+                </assert_contents>
+            </output>
+        </test>
+    </tests>
+    <help><![CDATA[
+Tool to produce GROMACS topology and coordinate files from systems generated with AmberTools' Tleap.
+
+.. class:: infomark
+
+**Input**
+
+The input files are the standard topology (prmtop) and coordinate (inpcrd) files that are generally produced as outputs when processing a structure through Tleap.
+
+.. class:: infomark
+
+**Outputs**
+
+GROMACS topology (TOP) and coordinate (GRO) files.
+
+    ]]></help>
+    <expand macro="citations">
+        <citation type="doi">doi:10.1186/1756-0500-5-367</citation>
+    </expand>
+</tool>
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/macros.xml	Tue Nov 30 10:00:44 2021 +0000
@@ -0,0 +1,23 @@
+<macros>
+  <token name="@TOOL_VERSION@">21.10</token>
+  <xml name="requirements">
+    <requirements>
+      <requirement type="package" version="@TOOL_VERSION@">ambertools</requirement>
+      <yield/>
+    </requirements>
+  </xml>
+  <xml name="citations">
+    <citations>
+      <citation type="doi">10.1002/jcc.20290</citation>
+      <citation type="bibtex">
+        @misc{ambertools, author = {D.A. Case, I.Y. Ben-Shalom, S.R. Brozell, D.S. Cerutti, T.E. Cheatham, III, V.W.D. Cruzeiro, T.A. Darden, R.E. Duke, D. Ghoreishi, M.K. Gilson, H. Gohlke, A.W. Goetz, D. Greene, R Harris, N. Homeyer, S. Izadi, A.
+        Kovalenko, T. Kurtzman, T.S. Lee, S. LeGrand, P. Li, C. Lin, J. Liu, T. Luchko, R. Luo, D.J. Mermelstein, K.M. Merz, Y. Miao, G. Monard, C. Nguyen, H. Nguyen, I. Omelyan, A. Onufriev, F. Pan, R. Qi, D.R. Roe, A. Roitberg, C. Sagui, S. Schott-Verdugo,
+        J. Shen, C.L. Simmerling, J. Smith, R. Salomon-Ferrer, J. Swails, R.C. Walker, J. Wang, H. Wei, R.M. Wolf, X. Wu, L. Xiao, D.M. York and P.A. Kollman }, year = {2018}, title = {AMBER 2018}, publisher = {University of California, San Francisco}, url =
+        {http://ambermd.org/CiteAmber.php}, }</citation>
+      <yield/>
+    </citations>
+  </xml>
+  <xml name="mmpbsa_citation">
+     <citation type="doi">10.1021/ct300418h</citation>
+  </xml>
+</macros>
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/parmconv.py	Tue Nov 30 10:00:44 2021 +0000
@@ -0,0 +1,82 @@
+import argparse
+import io
+import sys
+from contextlib import redirect_stdout
+
+import parmed
+from parmed import amber, gromacs
+from parmed.tools.changeradii import ChRad
+
+
+def parse_command_line(argv):
+    parser = argparse.ArgumentParser()
+    parser.add_argument('--istr', help='input structure', required=True)
+    parser.add_argument('--itop', help='input topology file', required=True)
+    parser.add_argument('--istripmask', help='stripmask')
+    parser.add_argument('--iradii', required=True, help='parmed radii are \
+                        GB_RADII amber6,bondi, mbondi, mbondi2, mbondi3')
+    parser.add_argument('--removedihe', action='store_true',
+                        default=False, help='remove dihedrals with zero \
+                        periodicity')
+    parser.add_argument('--removebox', action='store_true',
+                        default=False, help='remove periodic box info')
+    parser.add_argument('--o_prmtop', help='AMBER output topology',
+                        required=True)
+    return parser.parse_args()
+
+
+def get_ids(dihedrals):
+    """
+    goes through dihedrals and looks for any with per=0.
+    returns a reverse sorted list of ids to be removed.
+    """
+    indices = []
+    for k, v in enumerate(dihedrals):
+        f = io.StringIO()
+        with redirect_stdout(f):
+            print(v)
+        if f.getvalue().find("per=0") != -1:
+            indices.append(k)
+    indices.sort(reverse=True)
+    return indices
+
+
+args = parse_command_line(sys.argv)
+
+gmx_top = gromacs.GromacsTopologyFile(args.itop)
+gmx_gro = gromacs.GromacsGroFile.parse(args.istr)
+
+if not args.removebox:
+    # keep box info
+    gmx_top.box = gmx_gro.box
+    gmx_top.positions = gmx_gro.positions
+
+
+if args.removedihe:
+    ids_to_remove = get_ids(gmx_top.dihedrals)
+    print("Original number of dihedrals %i" % len(gmx_top.dihedrals))
+    for i in ids_to_remove:
+        gmx_top.dihedrals.pop(i)
+    print("Update number of dihedrals %i" % len(gmx_top.dihedrals))
+
+if args.istripmask is not None:
+    if args.istripmask == "":
+        pass
+    else:
+        gmx_top.strip(args.istripmask)
+
+radii = str(args.iradii)
+parmed.tools.changeRadii(gmx_top, radii)
+amb_prm = amber.AmberParm.from_structure(gmx_top)
+parmed.tools.changeRadii(amb_prm, radii)
+
+if args.removebox:
+    amb_prm.pointers['IFBOX'] = 0
+
+ChRad(amb_prm, radii)
+for i, atom in enumerate(amb_prm.atoms):
+    amb_prm.parm_data['RADII'][i] = atom.solvent_radius
+    amb_prm.parm_data['SCREEN'][i] = atom.screen
+
+
+amb_prm.write_parm(args.o_prmtop)
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/template_mmpbsa_mmgbsa.j2	Tue Nov 30 10:00:44 2021 +0000
@@ -0,0 +1,21 @@
+# Template for mmpbsa in Galaxy
+#  
+&general
+startframe={{ allparams.startframe }}, endframe={{ allparams.endframe }}, interval={{ allparams.interval }},
+verbose=2, keep_files={{ allparams.keep_files | int }}, strip_mask={{ allparams.strip_mask }}, use_sander={{ allparams.use_sander | int }}, entropy={{ allparams.entropy | int }}, netcdf=1
+/
+{% if calcdetails.gb_pb_calc.calctype == 'gb' %}
+&gb
+igb={{ calcdetails.gb_pb_calc.igb }}, saltcon={{ calcdetails.gb_pb_calc.saltcon }}, surfoff={{ calcdetails.gb_pb_calc.surfoff }}, molsurf={{ calcdetails.gb_pb_calc.molsurf | int}}, probe={{ calcdetails.gb_pb_calc.probe }}, msoffset={{ calcdetails.gb_pb_calc.msoffset }}
+/
+{% elif calcdetails.gb_pb_calc.calctype == 'pb' %}
+&pb
+istrng={{ calcdetails.gb_pb_calc.istrng }}, fillratio={{ calcdetails.gb_pb_calc.fillratio }}, inp={{ calcdetails.gb_pb_calc.inp }}, radiopt={{ calcdetails.gb_pb_calc.radiopt }}, cavity_offset={{ calcdetails.gb_pb_calc.cavity_offset }}, scale={{ calcdetails.gb_pb_calc.scale }}, linit={{ calcdetails.gb_pb_calc.linit }}, prbrad={{ calcdetails.gb_pb_calc.prbrad }}
+/
+{% endif %}
+{% if calcdetails.decomposition.decomposition == 'yes' %}
+&decomp
+csv_format={{ calcdetails.decomposition.csv_format | int }}, dec_verbose={{ calcdetails.decomposition.dec_verbose }}, idecomp={{ calcdetails.decomposition.idecomp }}, 
+/
+{% endif %}
+
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/template_parmconv.j2	Tue Nov 30 10:00:44 2021 +0000
@@ -0,0 +1,14 @@
+# Template for parmconv in Galaxy
+{% if fmt == 'AMBER' %}
+parm {{ top_in }}
+{% elif fmt == 'GROMACS' %}
+gromber {{ top_in }} {{str_in}}
+{% elif fmt == 'CHARMM' %}
+chamber {{ top_in }} {{str_in}}
+{% else %}
+parm {{ top_in }}
+{% endif %}
+strip {{ stripmask }}
+summary
+outparm {{ prmtop_out }}
+quit
Binary file test-data/1err_desolvated_mini.nc has changed
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/JZ4.mol2	Tue Nov 30 10:00:44 2021 +0000
@@ -0,0 +1,52 @@
+@<TRIPOS>MOLECULE
+/data/dnb02/galaxy_db/files/009/501/dataset_9501918.dat
+ 22 22 0 0 0
+SMALL
+GASTEIGER
+
+@<TRIPOS>ATOM
+      1  C4         0.7939    1.3702    2.1983 C.3   167  JZ4167     -0.0650
+      2  C7         6.5984    0.4172    2.4451 C.ar  167  JZ4167     -0.0613
+      3  C8         7.3182    0.9119    1.3612 C.ar  167  JZ4167     -0.0583
+      4  C9         6.6461    1.3322    0.2147 C.ar  167  JZ4167     -0.0199
+      5  C10        5.2522    1.2617    0.1608 C.ar  167  JZ4167      0.1200
+      6  C11        5.2053    0.3427    2.3837 C.ar  167  JZ4167     -0.0551
+      7  C12        4.5084    0.7745    1.2426 C.ar  167  JZ4167     -0.0060
+      8  C13        3.0004    0.6682    1.1973 C.3   167  JZ4167     -0.0245
+      9  C14        2.3079    1.4796    2.2975 C.3   167  JZ4167     -0.0518
+     10  OAB        4.5987    1.6713   -0.9677 O.3   167  JZ4167     -0.5065
+     11 H           0.3197    1.9287    3.0114 H     167  JZ4167      0.0230
+     12 H           0.4705    0.3267    2.2700 H     167  JZ4167      0.0230
+     13 H           0.4322    1.7786    1.2494 H     167  JZ4167      0.0230
+     14 H           7.1195    0.0849    3.3395 H     167  JZ4167      0.0618
+     15 H           8.4028    0.9664    1.4088 H     167  JZ4167      0.0619
+     16 H           7.2222    1.7087   -0.6246 H     167  JZ4167      0.0654
+     17 H           4.6638   -0.0590    3.2368 H     167  JZ4167      0.0621
+     18 H           2.7296   -0.3918    1.2845 H     167  JZ4167      0.0314
+     19 H           2.6172    0.9976    0.2247 H     167  JZ4167      0.0314
+     20 H           2.6004    2.5342    2.2276 H     167  JZ4167      0.0266
+     21 H           2.6177    1.1288    3.2886 H     167  JZ4167      0.0266
+     22 H           5.2561    1.9626   -1.6199 H     167  JZ4167      0.2921
+@<TRIPOS>BOND
+     1     4     3   ar
+     2     4     5   ar
+     3     3     2   ar
+     4    10     5    1
+     5     5     7   ar
+     6     2     6   ar
+     7     7     6   ar
+     8     7     8    1
+     9     8     9    1
+    10     9     1    1
+    11     1    11    1
+    12     1    12    1
+    13     1    13    1
+    14     2    14    1
+    15     3    15    1
+    16     4    16    1
+    17     6    17    1
+    18     8    18    1
+    19     8    19    1
+    20     9    20    1
+    21     9    21    1
+    22    10    22    1
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/LigA.mol2	Tue Nov 30 10:00:44 2021 +0000
@@ -0,0 +1,61 @@
+@<TRIPOS>MOLECULE
+LigA
+24 24 1 0 0 
+SMALL
+USER_CHARGES
+
+
+@<TRIPOS>ATOM
+  1 C       49.2110    26.9920    85.5530 C.2   1 <1>  -0.3000 
+  2 H       49.1050    28.0330    85.7020 H     1 <1>   0.1500 
+  3 H       48.8320    26.6060    84.6410 H     1 <1>   0.1500 
+  4 C       49.8460    26.1960    86.4430 C.2   1 <1>  -0.1733 
+  5 C       50.0590    24.7460    86.2630 C.2   1 <1>   1.0500 
+  6 O       50.4810    24.0440    87.2160 O.co2 1 <1>  -0.9000 
+  7 O       49.8330    24.2110    85.1490 O.co2 1 <1>  -0.9000 
+  8 O       50.3730    26.8140    87.5890 O.3   1 <1>  -0.3567 
+  9 C       51.7280    27.3660    87.5930 C.3   1 <1>   0.3382 
+ 10 H       51.8840    27.9250    88.5040 H     1 <1>   0.0800 
+ 11 C       51.8170    28.2920    86.3980 C.2   1 <1>  -0.2882 
+ 12 H       51.3990    29.2560    86.5300 H     1 <1>   0.1500 
+ 13 C       52.1840    27.8630    85.1670 C.2   1 <1>  -0.2500 
+ 14 C       52.8190    26.5610    85.0450 C.2   1 <1>  -0.1500 
+ 15 H       53.0370    26.2220    84.0630 H     1 <1>   0.1500 
+ 16 C       53.1170    25.8090    86.1190 C.2   1 <1>  -0.2882 
+ 17 H       53.5700    24.8590    86.0130 H     1 <1>   0.1500 
+ 18 C       52.7610    26.1980    87.5410 C.3   1 <1>   0.3382 
+ 19 H       52.3530    25.3480    88.0710 H     1 <1>   0.0800 
+ 20 O       54.0020    26.6280    88.1730 O.3   1 <1>  -0.6800 
+ 21 H       54.4570    27.1880    87.5220 H     1 <1>   0.4000 
+ 22 C       51.9410    28.6780    83.9640 C.2   1 <1>   1.0500 
+ 23 O       51.9100    29.9280    84.0860 O.co2 1 <1>  -0.9000 
+ 24 O       51.8570    28.1570    82.8230 O.co2 1 <1>  -0.9000 
+@<TRIPOS>BOND
+  1   1   2  1   
+  2   1   3  1   
+  3   1   4  2   
+  4   4   5  1   
+  5   4   8  1   
+  6   5   6  ar  
+  7   5   7  ar  
+  8   8   9  1   
+  9   9  10  1   
+ 10   9  11  1   
+ 11   9  18  1   
+ 12  11  12  1   
+ 13  11  13  2   
+ 14  13  14  1   
+ 15  13  22  1   
+ 16  14  15  1   
+ 17  14  16  2   
+ 18  16  17  1   
+ 19  16  18  1   
+ 20  18  19  1   
+ 21  18  20  1   
+ 22  20  21  1   
+ 23  22  23  ar  
+ 24  22  24  ar  
+@<TRIPOS>SUBSTRUCTURE
+  1 ****  13 GROUP 4 **** **** 0
+
+# MOE 2016.08 (io_trps.svl 2016.04)
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/LigA.pdb	Tue Nov 30 10:00:44 2021 +0000
@@ -0,0 +1,26 @@
+CRYST1    0.000    0.000    0.000  90.00  90.00  90.00 P 1           1
+ATOM      1  C   <1> X   1      49.211  26.992  85.553  0.00  0.00            
+ATOM      2  H   <1> X   1      49.105  28.033  85.702  0.00  0.00            
+ATOM      3  H   <1> X   1      48.832  26.606  84.641  0.00  0.00            
+ATOM      4  C   <1> X   1      49.846  26.196  86.443  0.00  0.00            
+ATOM      5  C   <1> X   1      50.059  24.746  86.263  0.00  0.00            
+ATOM      6  O   <1> X   1      50.481  24.044  87.216  0.00  0.00            
+ATOM      7  O   <1> X   1      49.833  24.211  85.149  0.00  0.00            
+ATOM      8  O   <1> X   1      50.373  26.814  87.589  0.00  0.00            
+ATOM      9  C   <1> X   1      51.728  27.366  87.593  0.00  0.00            
+ATOM     10  H   <1> X   1      51.884  27.925  88.504  0.00  0.00            
+ATOM     11  C   <1> X   1      51.817  28.292  86.398  0.00  0.00            
+ATOM     12  H   <1> X   1      51.399  29.256  86.530  0.00  0.00            
+ATOM     13  C   <1> X   1      52.184  27.863  85.167  0.00  0.00            
+ATOM     14  C   <1> X   1      52.819  26.561  85.045  0.00  0.00            
+ATOM     15  H   <1> X   1      53.037  26.222  84.063  0.00  0.00            
+ATOM     16  C   <1> X   1      53.117  25.809  86.119  0.00  0.00            
+ATOM     17  H   <1> X   1      53.570  24.859  86.013  0.00  0.00            
+ATOM     18  C   <1> X   1      52.761  26.198  87.541  0.00  0.00            
+ATOM     19  H   <1> X   1      52.353  25.348  88.071  0.00  0.00            
+ATOM     20  O   <1> X   1      54.002  26.628  88.173  0.00  0.00            
+ATOM     21  H   <1> X   1      54.457  27.188  87.522  0.00  0.00            
+ATOM     22  C   <1> X   1      51.941  28.678  83.964  0.00  0.00            
+ATOM     23  O   <1> X   1      51.910  29.928  84.086  0.00  0.00            
+ATOM     24  O   <1> X   1      51.857  28.157  82.823  0.00  0.00            
+END
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/LigA_output.mol2	Tue Nov 30 10:00:44 2021 +0000
@@ -0,0 +1,59 @@
+@<TRIPOS>MOLECULE
+MOL
+   24    24     1     0     0
+SMALL
+bcc
+
+
+@<TRIPOS>ATOM
+      1 C           49.2110    26.9920    85.5530 c2         1 MOL      -0.311000
+      2 H           49.1050    28.0330    85.7020 ha         1 MOL       0.109500
+      3 H1          48.8320    26.6060    84.6410 ha         1 MOL       0.109500
+      4 C1          49.8460    26.1960    86.4430 ce         1 MOL       0.022900
+      5 C2          50.0590    24.7460    86.2630 ce         1 MOL       0.384200
+      6 O           50.4810    24.0440    87.2160 o          1 MOL      -0.575500
+      7 O1          49.8330    24.2110    85.1490 o          1 MOL      -0.575500
+      8 O2          50.3730    26.8140    87.5890 os         1 MOL      -0.351900
+      9 C3          51.7280    27.3660    87.5930 c3         1 MOL       0.157300
+     10 H2          51.8840    27.9250    88.5040 h1         1 MOL       0.051700
+     11 C4          51.8170    28.2920    86.3980 c2         1 MOL      -0.174200
+     12 H3          51.3990    29.2560    86.5300 ha         1 MOL       0.141000
+     13 C5          52.1840    27.8630    85.1670 ce         1 MOL      -0.149200
+     14 C6          52.8190    26.5610    85.0450 ce         1 MOL      -0.081000
+     15 H4          53.0370    26.2220    84.0630 ha         1 MOL       0.142000
+     16 C7          53.1170    25.8090    86.1190 c2         1 MOL      -0.248200
+     17 H5          53.5700    24.8590    86.0130 ha         1 MOL       0.104000
+     18 C8          52.7610    26.1980    87.5410 c3         1 MOL       0.131300
+     19 H6          52.3530    25.3480    88.0710 h1         1 MOL       0.151700
+     20 O3          54.0020    26.6280    88.1730 oh         1 MOL      -0.611800
+     21 H7          54.4570    27.1880    87.5220 ho         1 MOL       0.374000
+     22 C9          51.9410    28.6780    83.9640 ce         1 MOL       0.376200
+     23 O4          51.9100    29.9280    84.0860 o          1 MOL      -0.587000
+     24 O5          51.8570    28.1570    82.8230 o          1 MOL      -0.587000
+@<TRIPOS>BOND
+     1     1     2 1   
+     2     1     3 1   
+     3     1     4 2   
+     4     4     5 1   
+     5     4     8 1   
+     6     5     6 2   
+     7     5     7 1   
+     8     8     9 1   
+     9     9    10 1   
+    10     9    11 1   
+    11     9    18 1   
+    12    11    12 1   
+    13    11    13 2   
+    14    13    14 1   
+    15    13    22 1   
+    16    14    15 1   
+    17    14    16 2   
+    18    16    17 1   
+    19    16    18 1   
+    20    18    19 1   
+    21    18    20 1   
+    22    20    21 1   
+    23    22    23 2   
+    24    22    24 1   
+@<TRIPOS>SUBSTRUCTURE
+     1 MOL         1 TEMP              0 ****  ****    0 ROOT
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/LigA_output.pdb	Tue Nov 30 10:00:44 2021 +0000
@@ -0,0 +1,24 @@
+ATOM      1  C   MOL     1      49.211  26.992  85.553  1.00  0.00           C
+ATOM      2  H   MOL     1      49.105  28.033  85.702  1.00  0.00           H
+ATOM      3  H1  MOL     1      48.832  26.606  84.641  1.00  0.00           H
+ATOM      4  C1  MOL     1      49.846  26.196  86.443  1.00  0.00           C
+ATOM      5  C2  MOL     1      50.059  24.746  86.263  1.00  0.00           C
+ATOM      6  O   MOL     1      50.481  24.044  87.216  1.00  0.00           O
+ATOM      7  O1  MOL     1      49.833  24.211  85.149  1.00  0.00           O
+ATOM      8  O2  MOL     1      50.373  26.814  87.589  1.00  0.00           O
+ATOM      9  C3  MOL     1      51.728  27.366  87.593  1.00  0.00           C
+ATOM     10  H2  MOL     1      51.884  27.925  88.504  1.00  0.00           H
+ATOM     11  C4  MOL     1      51.817  28.292  86.398  1.00  0.00           C
+ATOM     12  H3  MOL     1      51.399  29.256  86.530  1.00  0.00           H
+ATOM     13  C5  MOL     1      52.184  27.863  85.167  1.00  0.00           C
+ATOM     14  C6  MOL     1      52.819  26.561  85.045  1.00  0.00           C
+ATOM     15  H4  MOL     1      53.037  26.222  84.063  1.00  0.00           H
+ATOM     16  C7  MOL     1      53.117  25.809  86.119  1.00  0.00           C
+ATOM     17  H5  MOL     1      53.570  24.859  86.013  1.00  0.00           H
+ATOM     18  C8  MOL     1      52.761  26.198  87.541  1.00  0.00           C
+ATOM     19  H6  MOL     1      52.353  25.348  88.071  1.00  0.00           H
+ATOM     20  O3  MOL     1      54.002  26.628  88.173  1.00  0.00           O
+ATOM     21  H7  MOL     1      54.457  27.188  87.522  1.00  0.00           H
+ATOM     22  C9  MOL     1      51.941  28.678  83.964  1.00  0.00           C
+ATOM     23  O4  MOL     1      51.910  29.928  84.086  1.00  0.00           O
+ATOM     24  O5  MOL     1      51.857  28.157  82.823  1.00  0.00           O
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/LigA_output.top	Tue Nov 30 10:00:44 2021 +0000
@@ -0,0 +1,239 @@
+; base_GMX.itp created by acpype (v: 2020-10-24T12:16:34CEST) on Tue Feb 16 21:55:09 2021
+
+[ atomtypes ]
+;name   bond_type     mass     charge   ptype   sigma         epsilon       Amb
+ c2       c2          0.00000  0.00000   A     3.39967e-01   3.59824e-01 ; 1.91  0.0860
+ ha       ha          0.00000  0.00000   A     2.59964e-01   6.27600e-02 ; 1.46  0.0150
+ ce       ce          0.00000  0.00000   A     3.39967e-01   3.59824e-01 ; 1.91  0.0860
+ c        c           0.00000  0.00000   A     3.39967e-01   3.59824e-01 ; 1.91  0.0860
+ o        o           0.00000  0.00000   A     2.95992e-01   8.78640e-01 ; 1.66  0.2100
+ os       os          0.00000  0.00000   A     3.00001e-01   7.11280e-01 ; 1.68  0.1700
+ c3       c3          0.00000  0.00000   A     3.39967e-01   4.57730e-01 ; 1.91  0.1094
+ h1       h1          0.00000  0.00000   A     2.47135e-01   6.56888e-02 ; 1.39  0.0157
+ oh       oh          0.00000  0.00000   A     3.06647e-01   8.80314e-01 ; 1.72  0.2104
+ ho       ho          0.00000  0.00000   A     0.00000e+00   0.00000e+00 ; 0.00  0.0000
+
+[ moleculetype ]
+;name            nrexcl
+ base             3
+
+[ atoms ]
+;   nr  type  resi  res  atom  cgnr     charge      mass       ; qtot   bond_type
+     1   c2     1   MOL     C    1    -0.311000     12.01000 ; qtot -0.311
+     2   ha     1   MOL     H    2     0.109500      1.00800 ; qtot -0.202
+     3   ha     1   MOL    H1    3     0.109500      1.00800 ; qtot -0.092
+     4   ce     1   MOL    C1    4     0.022900     12.01000 ; qtot -0.069
+     5    c     1   MOL    C2    5     0.384200     12.01000 ; qtot 0.315
+     6    o     1   MOL     O    6    -0.575500     16.00000 ; qtot -0.260
+     7    o     1   MOL    O1    7    -0.575500     16.00000 ; qtot -0.836
+     8   os     1   MOL    O2    8    -0.351900     16.00000 ; qtot -1.188
+     9   c3     1   MOL    C3    9     0.157300     12.01000 ; qtot -1.031
+    10   h1     1   MOL    H2   10     0.051700      1.00800 ; qtot -0.979
+    11   c2     1   MOL    C4   11    -0.174200     12.01000 ; qtot -1.153
+    12   ha     1   MOL    H3   12     0.141000      1.00800 ; qtot -1.012
+    13   ce     1   MOL    C5   13    -0.149200     12.01000 ; qtot -1.161
+    14   ce     1   MOL    C6   14    -0.081000     12.01000 ; qtot -1.242
+    15   ha     1   MOL    H4   15     0.142000      1.00800 ; qtot -1.100
+    16   c2     1   MOL    C7   16    -0.248200     12.01000 ; qtot -1.348
+    17   ha     1   MOL    H5   17     0.104000      1.00800 ; qtot -1.244
+    18   c3     1   MOL    C8   18     0.131300     12.01000 ; qtot -1.113
+    19   h1     1   MOL    H6   19     0.151700      1.00800 ; qtot -0.961
+    20   oh     1   MOL    O3   20    -0.614800     16.00000 ; qtot -1.576
+    21   ho     1   MOL    H7   21     0.374000      1.00800 ; qtot -1.202
+    22    c     1   MOL    C9   22     0.376200     12.01000 ; qtot -0.826
+    23    o     1   MOL    O4   23    -0.587000     16.00000 ; qtot -1.413
+    24    o     1   MOL    O5   24    -0.587000     16.00000 ; qtot -2.000
+
+[ bonds ]
+;   ai     aj funct   r             k
+     1      2   1    1.0879e-01    2.8711e+05 ;      C - H     
+     1      3   1    1.0879e-01    2.8711e+05 ;      C - H1    
+     1      4   1    1.3461e-01    4.5798e+05 ;      C - C1    
+     4      5   1    1.4825e-01    2.9665e+05 ;     C1 - C2    
+     4      8   1    1.3710e-01    3.1372e+05 ;     C1 - O2    
+     5      6   1    1.2183e-01    5.3363e+05 ;     C2 - O     
+     5      7   1    1.2183e-01    5.3363e+05 ;     C2 - O1    
+     8      9   1    1.4316e-01    2.5824e+05 ;     O2 - C3    
+     9     10   1    1.0969e-01    2.7665e+05 ;     C3 - H2    
+     9     11   1    1.5095e-01    2.7347e+05 ;     C3 - C4    
+     9     18   1    1.5375e-01    2.5179e+05 ;     C3 - C8    
+    11     12   1    1.0879e-01    2.8711e+05 ;     C4 - H3    
+    11     13   1    1.3461e-01    4.5798e+05 ;     C4 - C5    
+    13     14   1    1.4574e-01    3.2033e+05 ;     C5 - C6    
+    13     22   1    1.4825e-01    2.9665e+05 ;     C5 - C9    
+    14     15   1    1.0883e-01    2.8660e+05 ;     C6 - H4    
+    14     16   1    1.3461e-01    4.5798e+05 ;     C6 - C7    
+    16     17   1    1.0879e-01    2.8711e+05 ;     C7 - H5    
+    16     18   1    1.5095e-01    2.7347e+05 ;     C7 - C8    
+    18     19   1    1.0969e-01    2.7665e+05 ;     C8 - H6    
+    18     20   1    1.4233e-01    2.6501e+05 ;     C8 - O3    
+    20     21   1    9.7300e-02    3.1079e+05 ;     O3 - H7    
+    22     23   1    1.2183e-01    5.3363e+05 ;     C9 - O4    
+    22     24   1    1.2183e-01    5.3363e+05 ;     C9 - O5    
+
+[ pairs ]
+;   ai     aj    funct
+     1      6      1 ;      C - O     
+     1      7      1 ;      C - O1    
+     1      9      1 ;      C - C3    
+     2      5      1 ;      H - C2    
+     2      8      1 ;      H - O2    
+     3      5      1 ;     H1 - C2    
+     3      8      1 ;     H1 - O2    
+     4     10      1 ;     C1 - H2    
+     4     11      1 ;     C1 - C4    
+     4     18      1 ;     C1 - C8    
+     5      9      1 ;     C2 - C3    
+     6      8      1 ;      O - O2    
+     7      8      1 ;     O1 - O2    
+     8     12      1 ;     O2 - H3    
+     8     13      1 ;     O2 - C5    
+     8     16      1 ;     O2 - C7    
+     8     19      1 ;     O2 - H6    
+     8     20      1 ;     O2 - O3    
+     9     14      1 ;     C3 - C6    
+     9     17      1 ;     C3 - H5    
+     9     21      1 ;     C3 - H7    
+     9     22      1 ;     C3 - C9    
+    10     12      1 ;     H2 - H3    
+    10     13      1 ;     H2 - C5    
+    10     16      1 ;     H2 - C7    
+    10     19      1 ;     H2 - H6    
+    10     20      1 ;     H2 - O3    
+    11     15      1 ;     C4 - H4    
+    11     16      1 ;     C4 - C7    
+    11     19      1 ;     C4 - H6    
+    11     20      1 ;     C4 - O3    
+    11     23      1 ;     C4 - O4    
+    11     24      1 ;     C4 - O5    
+    12     14      1 ;     H3 - C6    
+    12     18      1 ;     H3 - C8    
+    12     22      1 ;     H3 - C9    
+    13     17      1 ;     C5 - H5    
+    13     18      1 ;     C5 - C8    
+    14     19      1 ;     C6 - H6    
+    14     20      1 ;     C6 - O3    
+    14     23      1 ;     C6 - O4    
+    14     24      1 ;     C6 - O5    
+    15     17      1 ;     H4 - H5    
+    15     18      1 ;     H4 - C8    
+    15     22      1 ;     H4 - C9    
+    16     21      1 ;     C7 - H7    
+    16     22      1 ;     C7 - C9    
+    17     19      1 ;     H5 - H6    
+    17     20      1 ;     H5 - O3    
+    19     21      1 ;     H6 - H7    
+
+[ angles ]
+;   ai     aj     ak    funct   theta         cth
+     1      4      5      1    1.2042e+02    5.4810e+02 ;      C - C1     - C2    
+     1      4      8      1    1.2370e+02    5.8660e+02 ;      C - C1     - O2    
+     2      1      3      1    1.1690e+02    3.1882e+02 ;      H - C      - H1    
+     2      1      4      1    1.2045e+02    4.1422e+02 ;      H - C      - C1    
+     3      1      4      1    1.2045e+02    4.1422e+02 ;     H1 - C      - C1    
+     4      5      6      1    1.2320e+02    5.7572e+02 ;     C1 - C2     - O     
+     4      5      7      1    1.2320e+02    5.7572e+02 ;     C1 - C2     - O1    
+     4      8      9      1    1.1609e+02    5.2718e+02 ;     C1 - O2     - C3    
+     5      4      8      1    1.1467e+02    5.7404e+02 ;     C2 - C1     - O2    
+     6      5      7      1    1.3025e+02    6.5187e+02 ;      O - C2     - O1    
+     8      9     10      1    1.0978e+02    4.2509e+02 ;     O2 - C3     - H2    
+     8      9     11      1    1.0856e+02    5.7321e+02 ;     O2 - C3     - C4    
+     8      9     18      1    1.0797e+02    5.6902e+02 ;     O2 - C3     - C8    
+     9     11     12      1    1.1568e+02    3.8409e+02 ;     C3 - C4     - H3    
+     9     11     13      1    1.2315e+02    5.3555e+02 ;     C3 - C4     - C5    
+     9     18     16      1    1.1156e+02    5.3053e+02 ;     C3 - C8     - C7    
+     9     18     19      1    1.0956e+02    3.8828e+02 ;     C3 - C8     - H6    
+     9     18     20      1    1.1019e+02    5.6484e+02 ;     C3 - C8     - O3    
+    10      9     11      1    1.0996e+02    3.9413e+02 ;     H2 - C3     - C4    
+    10      9     18      1    1.0956e+02    3.8828e+02 ;     H2 - C3     - C8    
+    11      9     18      1    1.1156e+02    5.3053e+02 ;     C4 - C3     - C8    
+    11     13     14      1    1.2326e+02    5.4727e+02 ;     C4 - C5     - C6    
+    11     13     22      1    1.2042e+02    5.4810e+02 ;     C4 - C5     - C9    
+    12     11     13      1    1.2045e+02    4.1422e+02 ;     H3 - C4     - C5    
+    13     14     15      1    1.1665e+02    3.9497e+02 ;     C5 - C6     - H4    
+    13     14     16      1    1.2326e+02    5.4727e+02 ;     C5 - C6     - C7    
+    13     22     23      1    1.2320e+02    5.7572e+02 ;     C5 - C9     - O4    
+    13     22     24      1    1.2320e+02    5.7572e+02 ;     C5 - C9     - O5    
+    14     13     22      1    1.2098e+02    5.2802e+02 ;     C6 - C5     - C9    
+    14     16     17      1    1.2045e+02    4.1422e+02 ;     C6 - C7     - H5    
+    14     16     18      1    1.2315e+02    5.3555e+02 ;     C6 - C7     - C8    
+    15     14     16      1    1.1994e+02    4.1505e+02 ;     H4 - C6     - C7    
+    16     18     19      1    1.0996e+02    3.9413e+02 ;     C7 - C8     - H6    
+    16     18     20      1    1.1035e+02    5.7070e+02 ;     C7 - C8     - O3    
+    17     16     18      1    1.1568e+02    3.8409e+02 ;     H5 - C7     - C8    
+    18     20     21      1    1.0726e+02    3.9664e+02 ;     C8 - O3     - H7    
+    19     18     20      1    1.1026e+02    4.2593e+02 ;     H6 - C8     - O3    
+    23     22     24      1    1.3025e+02    6.5187e+02 ;     O4 - C9     - O5    
+
+[ dihedrals ] ; propers
+; for gromacs 4.5 or higher, using funct 9
+;    i      j      k      l   func   phase     kd      pn
+     1      4      5      6      9   180.00   9.10020   2 ;      C-    C1-    C2-     O
+     1      4      5      7      9   180.00   9.10020   2 ;      C-    C1-    C2-    O1
+     1      4      8      9      9   180.00   4.39320   2 ;      C-    C1-    O2-    C3
+     2      1      4      5      9   180.00  27.82360   2 ;      H-     C-    C1-    C2
+     2      1      4      8      9   180.00  27.82360   2 ;      H-     C-    C1-    O2
+     3      1      4      5      9   180.00  27.82360   2 ;     H1-     C-    C1-    C2
+     3      1      4      8      9   180.00  27.82360   2 ;     H1-     C-    C1-    O2
+     4      8      9     10      9     0.00   1.60387   3 ;     C1-    O2-    C3-    H2
+     4      8      9     11      9     0.00   1.60387   3 ;     C1-    O2-    C3-    C4
+     4      8      9     18      9     0.00   1.60387   3 ;     C1-    O2-    C3-    C8
+     5      4      8      9      9   180.00   4.39320   2 ;     C2-    C1-    O2-    C3
+     6      5      4      8      9   180.00   9.10020   2 ;      O-    C2-    C1-    O2
+     7      5      4      8      9   180.00   9.10020   2 ;     O1-    C2-    C1-    O2
+     8      9     11     12      9     0.00   0.00000   0 ;     O2-    C3-    C4-    H3
+     8      9     11     13      9     0.00   0.00000   0 ;     O2-    C3-    C4-    C5
+     8      9     18     16      9     0.00   0.65084   3 ;     O2-    C3-    C8-    C7
+     8      9     18     19      9     0.00   0.00000   0 ;     O2-    C3-    C8-    H6
+     8      9     18     19      9     0.00   1.04600   1 ;     O2-    C3-    C8-    H6
+     8      9     18     20      9     0.00   0.60250   3 ;     O2-    C3-    C8-    O3
+     8      9     18     20      9     0.00   4.91620   2 ;     O2-    C3-    C8-    O3
+     9     11     13     14      9   180.00  27.82360   2 ;     C3-    C4-    C5-    C6
+     9     11     13     22      9   180.00  27.82360   2 ;     C3-    C4-    C5-    C9
+     9     18     16     14      9     0.00   0.00000   0 ;     C3-    C8-    C7-    C6
+     9     18     16     17      9     0.00   0.00000   0 ;     C3-    C8-    C7-    H5
+     9     18     20     21      9     0.00   0.66944   3 ;     C3-    C8-    O3-    H7
+     9     18     20     21      9     0.00   1.04600   1 ;     C3-    C8-    O3-    H7
+    10      9     11     12      9     0.00   0.00000   0 ;     H2-    C3-    C4-    H3
+    10      9     11     13      9     0.00   0.00000   0 ;     H2-    C3-    C4-    C5
+    10      9     18     16      9     0.00   0.65084   3 ;     H2-    C3-    C8-    C7
+    10      9     18     19      9     0.00   0.65084   3 ;     H2-    C3-    C8-    H6
+    10      9     18     20      9     0.00   0.00000   0 ;     H2-    C3-    C8-    O3
+    10      9     18     20      9     0.00   1.04600   1 ;     H2-    C3-    C8-    O3
+    11      9     18     16      9     0.00   0.65084   3 ;     C4-    C3-    C8-    C7
+    11      9     18     19      9     0.00   0.65084   3 ;     C4-    C3-    C8-    H6
+    11      9     18     20      9     0.00   0.65084   3 ;     C4-    C3-    C8-    O3
+    11     13     14     15      9   180.00   4.18400   2 ;     C4-    C5-    C6-    H4
+    11     13     14     16      9   180.00   4.18400   2 ;     C4-    C5-    C6-    C7
+    11     13     22     23      9   180.00   9.10020   2 ;     C4-    C5-    C9-    O4
+    11     13     22     24      9   180.00   9.10020   2 ;     C4-    C5-    C9-    O5
+    12     11      9     18      9     0.00   0.00000   0 ;     H3-    C4-    C3-    C8
+    12     11     13     14      9   180.00  27.82360   2 ;     H3-    C4-    C5-    C6
+    12     11     13     22      9   180.00  27.82360   2 ;     H3-    C4-    C5-    C9
+    13     11      9     18      9     0.00   0.00000   0 ;     C5-    C4-    C3-    C8
+    13     14     16     17      9   180.00  27.82360   2 ;     C5-    C6-    C7-    H5
+    13     14     16     18      9   180.00  27.82360   2 ;     C5-    C6-    C7-    C8
+    14     13     22     23      9   180.00   9.10020   2 ;     C6-    C5-    C9-    O4
+    14     13     22     24      9   180.00   9.10020   2 ;     C6-    C5-    C9-    O5
+    14     16     18     19      9     0.00   0.00000   0 ;     C6-    C7-    C8-    H6
+    14     16     18     20      9     0.00   0.00000   0 ;     C6-    C7-    C8-    O3
+    15     14     13     22      9   180.00   4.18400   2 ;     H4-    C6-    C5-    C9
+    15     14     16     17      9   180.00  27.82360   2 ;     H4-    C6-    C7-    H5
+    15     14     16     18      9   180.00  27.82360   2 ;     H4-    C6-    C7-    C8
+    16     14     13     22      9   180.00   4.18400   2 ;     C7-    C6-    C5-    C9
+    16     18     20     21      9     0.00   0.69733   3 ;     C7-    C8-    O3-    H7
+    17     16     18     19      9     0.00   0.00000   0 ;     H5-    C7-    C8-    H6
+    17     16     18     20      9     0.00   0.00000   0 ;     H5-    C7-    C8-    O3
+    19     18     20     21      9     0.00   0.69733   3 ;     H6-    C8-    O3-    H7
+
+[ dihedrals ] ; impropers
+; treated as propers in GROMACS to use correct AMBER analytical function
+;    i      j      k      l   func   phase     kd      pn
+     3      1      2      4      4   180.00   4.60240   2 ;     H1-     C-     H-    C1
+     4      6      5      7      4   180.00   4.60240   2 ;     C1-     O-    C2-    O1
+     5      1      4      8      4   180.00   4.60240   2 ;     C2-     C-    C1-    O2
+     9     13     11     12      4   180.00   4.60240   2 ;     C3-    C5-    C4-    H3
+    13     23     22     24      4   180.00   4.60240   2 ;     C5-    O4-    C9-    O5
+    16     13     14     15      4   180.00   4.60240   2 ;     C7-    C5-    C6-    H4
+    18     14     16     17      4   180.00   4.60240   2 ;     C8-    C6-    C7-    H5
+    22     11     13     14      4   180.00   4.60240   2 ;     C9-    C4-    C5-    C6
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/LigA_output.txt	Tue Nov 30 10:00:44 2021 +0000
@@ -0,0 +1,21 @@
+Remark line goes here
+MASS
+
+BOND
+
+ANGLE
+
+DIHE
+
+IMPROPER
+c2-ha-c2-ha         1.1          180.0         2.0          Using the default value
+c2-c2-c2-os         1.1          180.0         2.0          Using the default value
+c2-o -c2-o          1.1          180.0         2.0          Using the default value
+c2-c3-c2-ha         1.1          180.0         2.0          Using the default value
+c2-c2-c2-c2         1.1          180.0         2.0          Using the default value
+c2-c2-c2-ha         1.1          180.0         2.0          Using the default value
+
+NONBON
+
+
+
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/LigA_prmchk.mol2	Tue Nov 30 10:00:44 2021 +0000
@@ -0,0 +1,59 @@
+@<TRIPOS>MOLECULE
+MOL
+   24    24     1     0     0
+SMALL
+bcc
+
+
+@<TRIPOS>ATOM
+      1 C           49.2110    26.9920    85.5530 c2         1 MOL      -0.412000
+      2 H           49.1050    28.0330    85.7020 ha         1 MOL       0.190500
+      3 H1          48.8320    26.6060    84.6410 ha         1 MOL       0.190500
+      4 C1          49.8460    26.1960    86.4430 c2         1 MOL       0.290000
+      5 C2          50.0590    24.7460    86.2630 c2         1 MOL       0.448000
+      6 O           50.4810    24.0440    87.2160 o          1 MOL      -0.224000
+      7 O1          49.8330    24.2110    85.1490 o          1 MOL      -0.224000
+      8 O2          50.3730    26.8140    87.5890 os         1 MOL      -0.260000
+      9 C3          51.7280    27.3660    87.5930 c3         1 MOL      -0.040000
+     10 H2          51.8840    27.9250    88.5040 h1         1 MOL       0.169000
+     11 C4          51.8170    28.2920    86.3980 c2         1 MOL      -0.190000
+     12 H3          51.3990    29.2560    86.5300 ha         1 MOL       0.188000
+     13 C5          52.1840    27.8630    85.1670 c2         1 MOL       0.171000
+     14 C6          52.8190    26.5610    85.0450 c2         1 MOL      -0.190000
+     15 H4          53.0370    26.2220    84.0630 ha         1 MOL       0.188000
+     16 C7          53.1170    25.8090    86.1190 c2         1 MOL      -0.040000
+     17 H5          53.5700    24.8590    86.0130 ha         1 MOL       0.169000
+     18 C8          52.7610    26.1980    87.5410 c3         1 MOL      -0.003000
+     19 H6          52.3530    25.3480    88.0710 h1         1 MOL       0.221000
+     20 O3          54.0020    26.6280    88.1730 oh         1 MOL      -0.280000
+     21 H7          54.4570    27.1880    87.5220 ho         1 MOL       0.215000
+     22 C9          51.9410    28.6780    83.9640 c2         1 MOL       0.366000
+     23 O4          51.9100    29.9280    84.0860 o          1 MOL      -0.472500
+     24 O5          51.8570    28.1570    82.8230 o          1 MOL      -0.472500
+@<TRIPOS>BOND
+     1     1     2 1   
+     2     1     3 1   
+     3     1     4 1   
+     4     4     5 1   
+     5     4     8 1   
+     6     5     6 1   
+     7     5     7 1   
+     8     8     9 1   
+     9     9    10 1   
+    10     9    11 1   
+    11     9    18 1   
+    12    11    12 1   
+    13    11    13 1   
+    14    13    14 1   
+    15    13    22 1   
+    16    14    15 1   
+    17    14    16 1   
+    18    16    17 1   
+    19    16    18 1   
+    20    18    19 1   
+    21    18    20 1   
+    22    20    21 1   
+    23    22    23 1   
+    24    22    24 1   
+@<TRIPOS>SUBSTRUCTURE
+     1 MOL         1 TEMP              0 ****  ****    0 ROOT
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/base_GMX.gro	Tue Nov 30 10:00:44 2021 +0000
@@ -0,0 +1,25 @@
+base6_GMX.gro created by acpype (v: 2018-04-24T22:34:57UTC) on Tue Jun 11 14:15:01 2019
+ 22
+    1  JZ4   C4    1   0.079   0.137   0.220
+    1  JZ4   C7    2   0.660   0.042   0.244
+    1  JZ4   C8    3   0.732   0.091   0.136
+    1  JZ4   C9    4   0.665   0.133   0.022
+    1  JZ4  C10    5   0.525   0.126   0.016
+    1  JZ4  C11    6   0.521   0.034   0.238
+    1  JZ4  C12    7   0.451   0.077   0.124
+    1  JZ4  C13    8   0.300   0.067   0.120
+    1  JZ4  C14    9   0.231   0.148   0.230
+    1  JZ4  OAB   10   0.460   0.167  -0.097
+    1  JZ4    H   11   0.032   0.193   0.301
+    1  JZ4   H1   12   0.047   0.033   0.227
+    1  JZ4   H2   13   0.043   0.178   0.125
+    1  JZ4   H3   14   0.712   0.009   0.334
+    1  JZ4   H4   15   0.840   0.097   0.141
+    1  JZ4   H5   16   0.722   0.171  -0.062
+    1  JZ4   H6   17   0.466  -0.006   0.324
+    1  JZ4   H7   18   0.273  -0.039   0.128
+    1  JZ4   H8   19   0.262   0.100   0.023
+    1  JZ4   H9   20   0.260   0.253   0.223
+    1  JZ4  H10   21   0.262   0.113   0.329
+    1  JZ4  H11   22   0.526   0.196  -0.162
+   16.16600     5.85200     9.92000
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/base_GMX.itp	Tue Nov 30 10:00:44 2021 +0000
@@ -0,0 +1,218 @@
+; base_GMX.itp created by acpype (v: 2019-03-22T14:36:00UTC) on Fri May 31 15:21:44 2019
+
+[ atomtypes ]
+;name   bond_type     mass     charge   ptype   sigma         epsilon       Amb
+ c3       c3          0.00000  0.00000   A     3.39967e-01   4.57730e-01 ; 1.91  0.1094
+ ca       ca          0.00000  0.00000   A     3.39967e-01   3.59824e-01 ; 1.91  0.0860
+ oh       oh          0.00000  0.00000   A     3.06647e-01   8.80314e-01 ; 1.72  0.2104
+ hc       hc          0.00000  0.00000   A     2.64953e-01   6.56888e-02 ; 1.49  0.0157
+ ha       ha          0.00000  0.00000   A     2.59964e-01   6.27600e-02 ; 1.46  0.0150
+ ho       ho          0.00000  0.00000   A     0.00000e+00   0.00000e+00 ; 0.00  0.0000
+
+[ moleculetype ]
+;name            nrexcl
+ base             3
+
+[ atoms ]
+;   nr  type  resi  res  atom  cgnr     charge      mass       ; qtot   bond_type
+     1   c3     1   JZ4    C4    1    -0.093100     12.01000 ; qtot -0.093
+     2   ca     1   JZ4    C7    2    -0.162000     12.01000 ; qtot -0.255
+     3   ca     1   JZ4    C8    3    -0.095000     12.01000 ; qtot -0.350
+     4   ca     1   JZ4    C9    4    -0.211000     12.01000 ; qtot -0.561
+     5   ca     1   JZ4   C10    5     0.124100     12.01000 ; qtot -0.437
+     6   ca     1   JZ4   C11    6    -0.099000     12.01000 ; qtot -0.536
+     7   ca     1   JZ4   C12    7    -0.098300     12.01000 ; qtot -0.634
+     8   c3     1   JZ4   C13    8    -0.032100     12.01000 ; qtot -0.666
+     9   c3     1   JZ4   C14    9    -0.075400     12.01000 ; qtot -0.742
+    10   oh     1   JZ4   OAB   10    -0.500101     16.00000 ; qtot -1.242
+    11   hc     1   JZ4     H   11     0.032700      1.00800 ; qtot -1.209
+    12   hc     1   JZ4    H1   12     0.032700      1.00800 ; qtot -1.177
+    13   hc     1   JZ4    H2   13     0.032700      1.00800 ; qtot -1.144
+    14   ha     1   JZ4    H3   14     0.133000      1.00800 ; qtot -1.011
+    15   ha     1   JZ4    H4   15     0.132000      1.00800 ; qtot -0.879
+    16   ha     1   JZ4    H5   16     0.132000      1.00800 ; qtot -0.747
+    17   ha     1   JZ4    H6   17     0.134000      1.00800 ; qtot -0.613
+    18   hc     1   JZ4    H7   18     0.055700      1.00800 ; qtot -0.557
+    19   hc     1   JZ4    H8   19     0.055700      1.00800 ; qtot -0.501
+    20   hc     1   JZ4    H9   20     0.041700      1.00800 ; qtot -0.460
+    21   hc     1   JZ4   H10   21     0.041700      1.00800 ; qtot -0.418
+    22   ho     1   JZ4   H11   22     0.418000      1.00800 ; qtot -0.000
+
+[ bonds ]
+;   ai     aj funct   r             k
+     1      9   1    1.5375e-01    2.5179e+05 ;     C4 - C14   
+     1     11   1    1.0969e-01    2.7665e+05 ;     C4 - H     
+     1     12   1    1.0969e-01    2.7665e+05 ;     C4 - H1    
+     1     13   1    1.0969e-01    2.7665e+05 ;     C4 - H2    
+     2      3   1    1.3984e-01    3.8585e+05 ;     C7 - C8    
+     2      6   1    1.3984e-01    3.8585e+05 ;     C7 - C11   
+     2     14   1    1.0860e-01    2.8937e+05 ;     C7 - H3    
+     3      4   1    1.3984e-01    3.8585e+05 ;     C8 - C9    
+     3     15   1    1.0860e-01    2.8937e+05 ;     C8 - H4    
+     4      5   1    1.3984e-01    3.8585e+05 ;     C9 - C10   
+     4     16   1    1.0860e-01    2.8937e+05 ;     C9 - H5    
+     5      7   1    1.3984e-01    3.8585e+05 ;    C10 - C12   
+     5     10   1    1.3637e-01    3.2133e+05 ;    C10 - OAB   
+     6      7   1    1.3984e-01    3.8585e+05 ;    C11 - C12   
+     6     17   1    1.0860e-01    2.8937e+05 ;    C11 - H6    
+     7      8   1    1.5156e-01    2.6861e+05 ;    C12 - C13   
+     8      9   1    1.5375e-01    2.5179e+05 ;    C13 - C14   
+     8     18   1    1.0969e-01    2.7665e+05 ;    C13 - H7    
+     8     19   1    1.0969e-01    2.7665e+05 ;    C13 - H8    
+     9     20   1    1.0969e-01    2.7665e+05 ;    C14 - H9    
+     9     21   1    1.0969e-01    2.7665e+05 ;    C14 - H10   
+    10     22   1    9.7300e-02    3.1079e+05 ;    OAB - H11   
+
+[ pairs ]
+;   ai     aj    funct
+     1      7      1 ;     C4 - C12   
+     1     18      1 ;     C4 - H7    
+     1     19      1 ;     C4 - H8    
+     2      5      1 ;     C7 - C10   
+     2      8      1 ;     C7 - C13   
+     2     16      1 ;     C7 - H5    
+     3      7      1 ;     C8 - C12   
+     3     10      1 ;     C8 - OAB   
+     3     17      1 ;     C8 - H6    
+     4      6      1 ;     C9 - C11   
+     4      8      1 ;     C9 - C13   
+     4     14      1 ;     C9 - H3    
+     4     22      1 ;     C9 - H11   
+     5      9      1 ;    C10 - C14   
+     5     15      1 ;    C10 - H4    
+     5     17      1 ;    C10 - H6    
+     5     18      1 ;    C10 - H7    
+     5     19      1 ;    C10 - H8    
+     6      9      1 ;    C11 - C14   
+     6     10      1 ;    C11 - OAB   
+     6     15      1 ;    C11 - H4    
+     6     18      1 ;    C11 - H7    
+     6     19      1 ;    C11 - H8    
+     7     14      1 ;    C12 - H3    
+     7     16      1 ;    C12 - H5    
+     7     20      1 ;    C12 - H9    
+     7     21      1 ;    C12 - H10   
+     7     22      1 ;    C12 - H11   
+     8     10      1 ;    C13 - OAB   
+     8     17      1 ;    C13 - H6    
+    10     16      1 ;    OAB - H5    
+    11      8      1 ;      H - C13   
+    11     20      1 ;      H - H9    
+    11     21      1 ;      H - H10   
+    12      8      1 ;     H1 - C13   
+    12     20      1 ;     H1 - H9    
+    12     21      1 ;     H1 - H10   
+    13      8      1 ;     H2 - C13   
+    13     20      1 ;     H2 - H9    
+    13     21      1 ;     H2 - H10   
+    14     15      1 ;     H3 - H4    
+    14     17      1 ;     H3 - H6    
+    15     16      1 ;     H4 - H5    
+    18     20      1 ;     H7 - H9    
+    18     21      1 ;     H7 - H10   
+    19     20      1 ;     H8 - H9    
+    19     21      1 ;     H8 - H10   
+
+[ angles ]
+;   ai     aj     ak    funct   theta         cth
+     1      9      8      1    1.1151e+02    5.2635e+02 ;     C4 - C14    - C13   
+     1      9     20      1    1.0980e+02    3.8744e+02 ;     C4 - C14    - H9    
+     1      9     21      1    1.0980e+02    3.8744e+02 ;     C4 - C14    - H10   
+     2      3      4      1    1.2002e+02    5.5731e+02 ;     C7 - C8     - C9    
+     2      3     15      1    1.1988e+02    4.0334e+02 ;     C7 - C8     - H4    
+     2      6      7      1    1.2002e+02    5.5731e+02 ;     C7 - C11    - C12   
+     2      6     17      1    1.1988e+02    4.0334e+02 ;     C7 - C11    - H6    
+     3      2      6      1    1.2002e+02    5.5731e+02 ;     C8 - C7     - C11   
+     3      2     14      1    1.1988e+02    4.0334e+02 ;     C8 - C7     - H3    
+     3      4      5      1    1.2002e+02    5.5731e+02 ;     C8 - C9     - C10   
+     3      4     16      1    1.1988e+02    4.0334e+02 ;     C8 - C9     - H5    
+     4      3     15      1    1.1988e+02    4.0334e+02 ;     C9 - C8     - H4    
+     4      5      7      1    1.2002e+02    5.5731e+02 ;     C9 - C10    - C12   
+     4      5     10      1    1.1990e+02    5.8158e+02 ;     C9 - C10    - OAB   
+     5      4     16      1    1.1988e+02    4.0334e+02 ;    C10 - C9     - H5    
+     5      7      6      1    1.2002e+02    5.5731e+02 ;    C10 - C12    - C11   
+     5      7      8      1    1.2077e+02    5.3137e+02 ;    C10 - C12    - C13   
+     5     10     22      1    1.0858e+02    4.1003e+02 ;    C10 - OAB    - H11   
+     6      2     14      1    1.1988e+02    4.0334e+02 ;    C11 - C7     - H3    
+     6      7      8      1    1.2077e+02    5.3137e+02 ;    C11 - C12    - C13   
+     7      5     10      1    1.1990e+02    5.8158e+02 ;    C12 - C10    - OAB   
+     7      6     17      1    1.1988e+02    4.0334e+02 ;    C12 - C11    - H6    
+     7      8      9      1    1.1207e+02    5.2802e+02 ;    C12 - C13    - C14   
+     7      8     18      1    1.1047e+02    3.9162e+02 ;    C12 - C13    - H7    
+     7      8     19      1    1.1047e+02    3.9162e+02 ;    C12 - C13    - H8    
+     8      9     20      1    1.0980e+02    3.8744e+02 ;    C13 - C14    - H9    
+     8      9     21      1    1.0980e+02    3.8744e+02 ;    C13 - C14    - H10   
+     9      1     11      1    1.0980e+02    3.8744e+02 ;    C14 - C4     - H     
+     9      1     12      1    1.0980e+02    3.8744e+02 ;    C14 - C4     - H1    
+     9      1     13      1    1.0980e+02    3.8744e+02 ;    C14 - C4     - H2    
+     9      8     18      1    1.0980e+02    3.8744e+02 ;    C14 - C13    - H7    
+     9      8     19      1    1.0980e+02    3.8744e+02 ;    C14 - C13    - H8    
+    11      1     12      1    1.0758e+02    3.2970e+02 ;      H - C4     - H1    
+    11      1     13      1    1.0758e+02    3.2970e+02 ;      H - C4     - H2    
+    12      1     13      1    1.0758e+02    3.2970e+02 ;     H1 - C4     - H2    
+    18      8     19      1    1.0758e+02    3.2970e+02 ;     H7 - C13    - H8    
+    20      9     21      1    1.0758e+02    3.2970e+02 ;     H9 - C14    - H10   
+
+[ dihedrals ] ; propers
+; for gromacs 4.5 or higher, using funct 9
+;    i      j      k      l   func   phase     kd      pn
+     1      9      8      7      9     0.00   0.65084   3 ;     C4-   C14-   C13-   C12
+     1      9      8     18      9     0.00   0.66944   3 ;     C4-   C14-   C13-    H7
+     1      9      8     19      9     0.00   0.66944   3 ;     C4-   C14-   C13-    H8
+     2      3      4      5      9   180.00  15.16700   2 ;     C7-    C8-    C9-   C10
+     2      3      4     16      9   180.00  15.16700   2 ;     C7-    C8-    C9-    H5
+     2      6      7      5      9   180.00  15.16700   2 ;     C7-   C11-   C12-   C10
+     2      6      7      8      9   180.00  15.16700   2 ;     C7-   C11-   C12-   C13
+     3      2      6      7      9   180.00  15.16700   2 ;     C8-    C7-   C11-   C12
+     3      2      6     17      9   180.00  15.16700   2 ;     C8-    C7-   C11-    H6
+     3      4      5      7      9   180.00  15.16700   2 ;     C8-    C9-   C10-   C12
+     3      4      5     10      9   180.00  15.16700   2 ;     C8-    C9-   C10-   OAB
+     4      3      2      6      9   180.00  15.16700   2 ;     C9-    C8-    C7-   C11
+     4      3      2     14      9   180.00  15.16700   2 ;     C9-    C8-    C7-    H3
+     4      5      7      6      9   180.00  15.16700   2 ;     C9-   C10-   C12-   C11
+     4      5      7      8      9   180.00  15.16700   2 ;     C9-   C10-   C12-   C13
+     4      5     10     22      9   180.00   3.76560   2 ;     C9-   C10-   OAB-   H11
+     5      4      3     15      9   180.00  15.16700   2 ;    C10-    C9-    C8-    H4
+     5      7      6     17      9   180.00  15.16700   2 ;    C10-   C12-   C11-    H6
+     5      7      8      9      9     0.00   0.00000   0 ;    C10-   C12-   C13-   C14
+     5      7      8     18      9     0.00   0.00000   0 ;    C10-   C12-   C13-    H7
+     5      7      8     19      9     0.00   0.00000   0 ;    C10-   C12-   C13-    H8
+     6      2      3     15      9   180.00  15.16700   2 ;    C11-    C7-    C8-    H4
+     6      7      5     10      9   180.00  15.16700   2 ;    C11-   C12-   C10-   OAB
+     6      7      8      9      9     0.00   0.00000   0 ;    C11-   C12-   C13-   C14
+     6      7      8     18      9     0.00   0.00000   0 ;    C11-   C12-   C13-    H7
+     6      7      8     19      9     0.00   0.00000   0 ;    C11-   C12-   C13-    H8
+     7      5      4     16      9   180.00  15.16700   2 ;    C12-   C10-    C9-    H5
+     7      5     10     22      9   180.00   3.76560   2 ;    C12-   C10-   OAB-   H11
+     7      6      2     14      9   180.00  15.16700   2 ;    C12-   C11-    C7-    H3
+     7      8      9     20      9     0.00   0.65084   3 ;    C12-   C13-   C14-    H9
+     7      8      9     21      9     0.00   0.65084   3 ;    C12-   C13-   C14-   H10
+     8      7      5     10      9   180.00  15.16700   2 ;    C13-   C12-   C10-   OAB
+     8      7      6     17      9   180.00  15.16700   2 ;    C13-   C12-   C11-    H6
+    10      5      4     16      9   180.00  15.16700   2 ;    OAB-   C10-    C9-    H5
+    11      1      9      8      9     0.00   0.66944   3 ;      H-    C4-   C14-   C13
+    11      1      9     20      9     0.00   0.62760   3 ;      H-    C4-   C14-    H9
+    11      1      9     21      9     0.00   0.62760   3 ;      H-    C4-   C14-   H10
+    12      1      9      8      9     0.00   0.66944   3 ;     H1-    C4-   C14-   C13
+    12      1      9     20      9     0.00   0.62760   3 ;     H1-    C4-   C14-    H9
+    12      1      9     21      9     0.00   0.62760   3 ;     H1-    C4-   C14-   H10
+    13      1      9      8      9     0.00   0.66944   3 ;     H2-    C4-   C14-   C13
+    13      1      9     20      9     0.00   0.62760   3 ;     H2-    C4-   C14-    H9
+    13      1      9     21      9     0.00   0.62760   3 ;     H2-    C4-   C14-   H10
+    14      2      3     15      9   180.00  15.16700   2 ;     H3-    C7-    C8-    H4
+    14      2      6     17      9   180.00  15.16700   2 ;     H3-    C7-   C11-    H6
+    15      3      4     16      9   180.00  15.16700   2 ;     H4-    C8-    C9-    H5
+    18      8      9     20      9     0.00   0.62760   3 ;     H7-   C13-   C14-    H9
+    18      8      9     21      9     0.00   0.62760   3 ;     H7-   C13-   C14-   H10
+    19      8      9     20      9     0.00   0.62760   3 ;     H8-   C13-   C14-    H9
+    19      8      9     21      9     0.00   0.62760   3 ;     H8-   C13-   C14-   H10
+
+[ dihedrals ] ; impropers
+; treated as propers in GROMACS to use correct AMBER analytical function
+;    i      j      k      l   func   phase     kd      pn
+     2      4      3     15      4   180.00   4.60240   2 ;     C7-    C9-    C8-    H4
+     2      7      6     17      4   180.00   4.60240   2 ;     C7-   C12-   C11-    H6
+     3      5      4     16      4   180.00   4.60240   2 ;     C8-   C10-    C9-    H5
+     3      6      2     14      4   180.00   4.60240   2 ;     C8-   C11-    C7-    H3
+     4      7      5     10      4   180.00   4.60240   2 ;     C9-   C12-   C10-   OAB
+     5      6      7      8      4   180.00   4.60240   2 ;    C10-   C11-   C12-   C13
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/cid1.inpcrd	Tue Nov 30 10:00:44 2021 +0000
@@ -0,0 +1,23 @@
+default_name
+    42
+ 413.7160000 -23.8940000  73.9880000 413.0110000 -23.1360000  73.0600000
+ 410.4130000 -22.8270000  77.7640000 413.0830000 -24.9950000  74.5420000
+ 411.1680000 -24.6150000  73.3300000 412.1350000 -21.4560000  78.2360000
+ 411.7120000 -23.4970000  72.7190000 411.3590000 -22.4680000  78.7560000
+ 410.6390000 -22.0230000  76.6690000 409.9160000 -22.0060000  75.3710000
+ 410.3560000 -20.6120000  70.7060000 411.2760000 -21.2970000  69.7140000
+ 410.9200000 -22.6950000  71.7140000 410.7700000 -21.2020000  72.0480000
+ 411.0860000 -23.8010000  69.4340000 409.7500000 -20.9270000  73.1430000
+ 411.8220000 -25.3760000  74.2360000 411.6890000 -21.1940000  76.9670000
+ 410.3570000 -21.0800000  74.4240000 411.5380000 -22.6710000  70.3070000
+ 408.9730000 -22.7740000  75.2000000 411.4870000 -23.1760000  80.2920000
+ 414.7300000 -23.6320000  74.2690000 413.4810000 -22.2670000  72.6080000
+ 409.6480000 -23.5890000  77.8390000 413.5900000 -25.6180000  75.2710000
+ 410.1590000 -24.9450000  73.1040000 412.9630000 -20.8980000  78.6520000
+ 410.4620000 -19.5230000  70.6760000 409.3110000 -20.8540000  70.4760000
+ 410.8360000 -21.3960000  68.7180000 412.2480000 -20.7980000  69.6480000
+ 409.9150000 -23.1650000  71.6000000 411.7370000 -20.7780000  72.3500000
+ 410.0030000 -23.7210000  69.3180000 411.5930000 -23.7040000  68.4720000
+ 411.3590000 -24.7350000  69.9290000 408.9340000 -21.6350000  73.0500000
+ 409.3820000 -19.9130000  73.0430000 412.0760000 -20.4940000  76.3480000
+ 411.1120000 -20.4360000  74.6780000 412.5590000 -22.7580000  70.4090000
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/cid1.prmtop	Tue Nov 30 10:00:44 2021 +0000
@@ -0,0 +1,402 @@
+%VERSION  VERSION_STAMP = V0001.000  DATE = 11/24/21  10:22:01                  
+%FLAG TITLE                                                                     
+%FORMAT(20a4)                                                                   
+default_name                                                                    
+%FLAG POINTERS                                                                  
+%FORMAT(10I8)                                                                   
+      42      11      20      24      46      33      89      56       0       0
+     240       1      24      33      56      23      41      20      17       0
+       0       0       0       0       0       0       0       0      42       0
+       0
+%FLAG ATOM_NAME                                                                 
+%FORMAT(20a4)                                                                   
+C1  C2  C3  C4  C5  C6  C7  C8  C9  C10 C11 C12 C13 C14 C15 C16 N17 N18 N19 N20 
+O21 CL22H23 H24 H25 H26 H27 H28 H29 H30 H31 H32 H33 H34 H35 H36 H37 H38 H39 H40 
+H41 H42 
+%FLAG CHARGE                                                                    
+%FORMAT(5E16.8)                                                                 
+ -4.30592949E+00 -1.43956170E+00 -1.23911640E+00  8.03967876E+00  7.94856726E+00
+ -1.60902909E+00 -5.47762338E+00 -1.52338428E+00 -4.18930677E+00  1.31874785E+01
+ -1.81129662E+00  1.98258624E+00  3.58614864E+00 -1.83498561E+00  1.45960623E+00
+  1.80400770E+00 -1.16804943E+01 -2.82627873E+00 -1.06946679E+01 -1.25260090E+01
+ -1.19556510E+01 -3.71734920E-01  3.07956870E+00  2.51467740E+00  3.29823630E+00
+  9.49381830E-01  7.12491930E-01  3.55334850E+00  1.61631801E+00  1.61631801E+00
+  1.88965251E+00  1.88965251E+00  2.61854451E+00  1.88965251E+00  2.01114058E+00
+  2.01114058E+00  2.01114058E+00  1.27009431E+00  1.27009431E+00  5.51589021E+00
+  5.87669175E+00  8.14172364E+00
+%FLAG ATOMIC_NUMBER                                                             
+%FORMAT(10I8)                                                                   
+       6       6       6       6       6       6       6       6       6       6
+       6       6       6       6       6       6       7       7       7       7
+       8      17       1       1       1       1       1       1       1       1
+       1       1       1       1       1       1       1       1       1       1
+       1       1
+%FLAG MASS                                                                      
+%FORMAT(5E16.8)                                                                 
+  1.20100000E+01  1.20100000E+01  1.20100000E+01  1.20100000E+01  1.20100000E+01
+  1.20100000E+01  1.20100000E+01  1.20100000E+01  1.20100000E+01  1.20100000E+01
+  1.20100000E+01  1.20100000E+01  1.20100000E+01  1.20100000E+01  1.20100000E+01
+  1.20100000E+01  1.40100000E+01  1.40100000E+01  1.40100000E+01  1.40100000E+01
+  1.60000000E+01  3.54500000E+01  1.00800000E+00  1.00800000E+00  1.00800000E+00
+  1.00800000E+00  1.00800000E+00  1.00800000E+00  1.00800000E+00  1.00800000E+00
+  1.00800000E+00  1.00800000E+00  1.00800000E+00  1.00800000E+00  1.00800000E+00
+  1.00800000E+00  1.00800000E+00  1.00800000E+00  1.00800000E+00  1.00800000E+00
+  1.00800000E+00  1.00800000E+00
+%FLAG ATOM_TYPE_INDEX                                                           
+%FORMAT(10I8)                                                                   
+       1       1       1       1       1       1       1       1       1       1
+       2       2       2       2       2       2       3       3       3       3
+       4       5       6       6       6       7       7       7       8       8
+       9       9       9       8       9       9       9      10      10      11
+      11      11
+%FLAG NUMBER_EXCLUDED_ATOMS                                                     
+%FORMAT(10I8)                                                                   
+       9      12      11       7       9       8      14       7      10      10
+      16      15      20      14       8      10       3       6       5      10
+       1       2       2       1       1       1       1       1       4       3
+       2       1       2       2       3       2       1       2       1       1
+       1       1
+%FLAG NONBONDED_PARM_INDEX                                                      
+%FORMAT(10I8)                                                                   
+       1       2       4       7      11      16      22      29      37      46
+      56       2       3       5       8      12      17      23      30      38
+      47      57       4       5       6       9      13      18      24      31
+      39      48      58       7       8       9      10      14      19      25
+      32      40      49      59      11      12      13      14      15      20
+      26      33      41      50      60      16      17      18      19      20
+      21      27      34      42      51      61      22      23      24      25
+      26      27      28      35      43      52      62      29      30      31
+      32      33      34      35      36      44      53      63      37      38
+      39      40      41      42      43      44      45      54      64      46
+      47      48      49      50      51      52      53      54      55      65
+      56      57      58      59      60      61      62      63      64      65
+      66
+%FLAG RESIDUE_LABEL                                                             
+%FORMAT(20a4)                                                                   
+UNL 
+%FLAG RESIDUE_POINTER                                                           
+%FORMAT(10I8)                                                                   
+       1
+%FLAG BOND_FORCE_CONSTANT                                                       
+%FORMAT(5E16.8)                                                                 
+  3.73200000E+02  4.03200000E+02  4.08400000E+02  3.28700000E+02  3.30600000E+02
+  2.83300000E+02  3.38700000E+02  3.00900000E+02  3.30600000E+02  4.27600000E+02
+  6.37700000E+02  3.71000000E+02  4.25800000E+02  3.17500000E+02  3.21000000E+02
+  5.00900000E+02  3.52000000E+02  4.61100000E+02  4.88000000E+02  3.41500000E+02
+  4.19800000E+02  3.49100000E+02  3.45800000E+02
+%FLAG BOND_EQUIL_VALUE                                                          
+%FORMAT(5E16.8)                                                                 
+  1.03040000E+00  1.01290000E+00  1.01000000E+00  1.46190000E+00  1.09690000E+00
+  1.51100000E+00  1.09100000E+00  1.53750000E+00  1.09690000E+00  1.37890000E+00
+  1.21830000E+00  1.46760000E+00  1.38020000E+00  1.73540000E+00  1.51560000E+00
+  1.37290000E+00  1.08170000E+00  1.39840000E+00  1.33900000E+00  1.08900000E+00
+  1.42780000E+00  1.08370000E+00  1.08600000E+00
+%FLAG ANGLE_FORCE_CONSTANT                                                      
+%FORMAT(5E16.8)                                                                 
+  3.92000000E+01  3.92000000E+01  3.94000000E+01  4.86000000E+01  7.42000000E+01
+  4.98000000E+01  4.98000000E+01  5.19000000E+01  4.63000000E+01  4.58000000E+01
+  4.59000000E+01  6.42000000E+01  4.62000000E+01  6.59000000E+01  4.64000000E+01
+  6.29000000E+01  6.26000000E+01  6.86950000E+01  6.34000000E+01  4.83000000E+01
+  4.85000000E+01  6.91000000E+01  6.91000000E+01  4.68000000E+01  6.82000000E+01
+  4.71000000E+01  7.34000000E+01  4.73000000E+01  4.82000000E+01  6.88000000E+01
+  4.81000000E+01  6.31000000E+01  6.48000000E+01  4.66000000E+01  5.75000000E+01
+  6.85000000E+01  6.35000000E+01  6.83000000E+01  5.78000000E+01  6.51000000E+01
+  6.66000000E+01
+%FLAG ANGLE_EQUIL_VALUE                                                         
+%FORMAT(5E16.8)                                                                 
+  1.89298492E+00  1.91549968E+00  1.87762601E+00  1.88513093E+00  2.14762857E+00
+  1.90031530E+00  2.10364625E+00  2.02510640E+00  1.91637234E+00  2.05390434E+00
+  1.92178286E+00  1.99334139E+00  1.92963685E+00  1.94796281E+00  1.91218355E+00
+  1.94621748E+00  1.91392888E+00  1.98679641E+00  2.10643878E+00  2.05163542E+00
+  2.12511381E+00  1.96698691E+00  2.16298747E+00  2.19038915E+00  1.99299233E+00
+  2.11307103E+00  1.86732857E+00  2.24239998E+00  2.09230160E+00  2.14570870E+00
+  2.10033012E+00  1.95599133E+00  1.98618554E+00  1.94517029E+00  2.15391175E+00
+  1.91811767E+00  2.10783504E+00  2.04587583E+00  2.09422147E+00  2.11795796E+00
+  2.09474507E+00
+%FLAG DIHEDRAL_FORCE_CONSTANT                                                   
+%FORMAT(5E16.8)                                                                 
+  0.00000000E+00  1.55555556E-01  1.50000000E-01  1.70000000E+00  3.62500000E+00
+  4.00000000E+00  2.00000000E+00  2.50000000E+00  2.87500000E+00  1.60000000E-01
+  2.00000000E-01  2.50000000E-01  1.80000000E-01  5.30000000E-01  1.50000000E-01
+  5.00000000E-01  7.00000000E-01  4.80000000E+00  1.10000000E+00  1.05000000E+01
+%FLAG DIHEDRAL_PERIODICITY                                                      
+%FORMAT(5E16.8)                                                                 
+  2.00000000E+00  3.00000000E+00  3.00000000E+00  2.00000000E+00  2.00000000E+00
+  2.00000000E+00  1.00000000E+00  2.00000000E+00  2.00000000E+00  3.00000000E+00
+  1.00000000E+00  2.00000000E+00  3.00000000E+00  1.00000000E+00  3.00000000E+00
+  4.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
+%FLAG DIHEDRAL_PHASE                                                            
+%FORMAT(5E16.8)                                                                 
+  0.00000000E+00  0.00000000E+00  0.00000000E+00  3.14159400E+00  3.14159400E+00
+  3.14159400E+00  0.00000000E+00  3.14159400E+00  3.14159400E+00  0.00000000E+00
+  3.14159400E+00  3.14159400E+00  0.00000000E+00  0.00000000E+00  3.14159400E+00
+  3.14159400E+00  0.00000000E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00
+%FLAG SCEE_SCALE_FACTOR                                                         
+%FORMAT(5E16.8)                                                                 
+  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
+  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
+  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00  1.20000000E+00
+  1.20000000E+00  1.20000000E+00  1.20000000E+00  0.00000000E+00  0.00000000E+00
+%FLAG SCNB_SCALE_FACTOR                                                         
+%FORMAT(5E16.8)                                                                 
+  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
+  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
+  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
+  2.00000000E+00  2.00000000E+00  2.00000000E+00  0.00000000E+00  0.00000000E+00
+%FLAG SOLTY                                                                     
+%FORMAT(5E16.8)                                                                 
+  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00  0.00000000E+00
+%FLAG LENNARD_JONES_ACOEF                                                       
+%FORMAT(5E16.8)                                                                 
+  8.19971662E+05  9.24822270E+05  1.04308023E+06  8.82619071E+05  9.95480466E+05
+  9.44293233E+05  5.74393458E+05  6.47841731E+05  6.06829342E+05  3.79876399E+05
+  1.63123475E+06  1.83982239E+06  1.76079018E+06  1.15256113E+06  3.24095688E+06
+  7.62451550E+04  8.59947003E+04  7.91627154E+04  4.77908183E+04  1.54217681E+05
+  5.71629601E+03  6.37148278E+04  7.18621074E+04  6.58473870E+04  3.93690817E+04
+  1.29147101E+05  4.64559155E+03  3.76169105E+03  8.61541883E+04  9.71708117E+04
+  8.96776989E+04  5.44261042E+04  1.74057868E+05  6.55825601E+03  5.34045360E+03
+  7.51607703E+03  2.01619733E+04  2.27401052E+04  2.01791425E+04  1.12780457E+04
+  4.14717455E+04  1.21014911E+03  9.55000044E+02  1.41077189E+03  2.01823541E+02
+  6.01816484E+04  6.78771368E+04  6.20665997E+04  3.69471530E+04  1.22102013E+05
+  4.33325458E+03  3.50301067E+03  4.98586848E+03  8.79040886E+02  3.25969625E+03
+  2.27577561E+03  2.56678134E+03  2.12601181E+03  1.02595236E+03  4.83020816E+03
+  8.90987508E+01  6.63368273E+01  1.07193646E+02  9.14716912E+00  5.94667300E+01
+  1.39982777E-01
+%FLAG LENNARD_JONES_BCOEF                                                       
+%FORMAT(5E16.8)                                                                 
+  5.31102864E+02  5.99015525E+02  6.75612247E+02  6.53361429E+02  7.36907417E+02
+  8.01323529E+02  5.55666448E+02  6.26720080E+02  6.77220874E+02  5.64885984E+02
+  9.92485818E+02  1.11939599E+03  1.22266505E+03  1.04286543E+03  1.85348706E+03
+  1.04660679E+02  1.18043746E+02  1.26451907E+02  1.03580945E+02  1.97211104E+02
+  1.85196588E+01  9.56748258E+01  1.07908863E+02  1.15327881E+02  9.40124296E+01
+  1.80470661E+02  1.66953734E+01  1.50233639E+01  1.12529845E+02  1.26919150E+02
+  1.36131731E+02  1.11805549E+02  2.11915736E+02  2.00642027E+01  1.81057616E+01
+  2.17257828E+01  5.44372326E+01  6.13981767E+01  6.45756063E+01  5.08951803E+01
+  1.03440958E+02  8.61880722E+00  7.65648470E+00  9.41257003E+00  3.56012899E+00
+  9.40505980E+01  1.06076943E+02  1.13252061E+02  9.21192136E+01  1.77491593E+02
+  1.63092814E+01  1.46638650E+01  1.76949863E+01  7.42992380E+00  1.43076527E+01
+  1.82891803E+01  2.06278363E+01  2.09604198E+01  1.53505284E+01  3.53019992E+01
+  2.33864085E+00  2.01792524E+00  2.59456373E+00  7.57919667E-01  1.93248820E+00
+  9.37598976E-02
+%FLAG BONDS_INC_HYDROGEN                                                        
+%FORMAT(10I8)                                                                   
+      57     123       1      54     120       2      51     117       3      45
+     111       5      45     114       5      42     102       7      42     105
+       7      42     108       7      39      99       9      36      96       7
+      33      90       7      33      93       7      30      84       9      30
+      87       9      15      81      17      12      78      20       9      75
+      20       6      72      22       3      69      23       0      66      23
+%FLAG BONDS_WITHOUT_HYDROGEN                                                    
+%FORMAT(10I8)                                                                   
+      45      54       4      42      57       6      39      45       8      36
+      39       8      36      57       6      33      57       6      30      33
+       8      30      39       8      27      54      10      27      60      11
+      24      27      12      24      51      13      21      63      14      18
+      36      15      15      21      16      15      51      13      12      18
+      18      12      48      19       9      48      19       6      21      21
+       6      24      16       3      18      18       0       3      18       0
+       9      18
+%FLAG ANGLES_INC_HYDROGEN                                                       
+%FORMAT(10I8)                                                                   
+     111      45     114       1     105      42     108       2     102      42
+     105       2     102      42     108       2      90      33      93       2
+      84      30      87       3      57      33      90       4      57      33
+      93       4      57      36      96       4      57      42     102       4
+      57      42     105       4      57      42     108       4      54      45
+     111       6      54      45     114       6      51      15      81       7
+      48       9      75       8      48      12      78       8      45      39
+      99       9      45      54     120      10      42      57     123      11
+      39      30      84       9      39      30      87       9      39      36
+      96      13      39      45     111      15      39      45     114      15
+      36      39      99       9      36      57     123      11      33      30
+      84       9      33      30      87       9      33      57     123      11
+      30      33      90      13      30      33      93      13      30      39
+      99       9      27      54     120      20      24       6      72      21
+      24      51     117      24      21       6      72      26      21      15
+      81      28      18       3      69      29      18      12      78      31
+      18      36      96      34      15      51     117      24       9       0
+      66      29       3       0      66      29       0       3      69      29
+       0       9      75      31
+%FLAG ANGLES_WITHOUT_HYDROGEN                                                   
+%FORMAT(10I8)                                                                   
+      54      27      60       5      39      36      57      12      39      45
+      54      14      36      39      45      16      36      57      42      17
+      33      30      39      16      33      57      36      17      33      57
+      42      17      30      33      57      12      30      39      36      16
+      30      39      45      16      27      24      51      18      27      54
+      45      19      24      27      54      22      24      27      60      23
+      21       6      24      25      21      15      51      27      18      12
+      48      30      18      36      39      32      18      36      57      33
+      15      21      63      35      15      51      24      36      12      18
+      36      37       9      48      12      38       6      21      15      25
+       6      21      63      39       6      24      27      40       6      24
+      51      27       3       0       9      41       3      18      12      41
+       3      18      36      37       0       3      18      41       0       9
+      48      30
+%FLAG DIHEDRALS_INC_HYDROGEN                                                    
+%FORMAT(10I8)                                                                   
+     114      45      54     120       1     111      45      54     120       1
+     108      42      57     123       2     105      42      57     123       2
+     102      42      57     123       2      99      39      45     111       2
+      99      39      45     114       2      96      36      39      99       2
+      96      36      57     123       2      93      33      57     123       2
+      90      33      57     123       2      87      30      33      90       2
+      87      30      33      93       2      87      30      39      99       3
+      84      30      33      90       2      84      30      33      93       2
+      84      30      39      99       3      81      15      51     117       4
+      66       0       3      69       5      66       0       9      75       5
+      63      21       6      72       6      63      21      15      81       6
+      60      27      54     120       7      60      27     -54     120       8
+      57      33      30      84       2      57      33      30      87       2
+      57      36      39      99       2      54      45      39      99       2
+      51      24       6      72       6      66       0       9      48       5
+      45      39      30      84      10      45      39      30      87      10
+      45      39      36      96       2      42      57      33      90       2
+      42      57      33      93       2      42      57      36      96       2
+      39      30      33      90       2      39      30      33      93       2
+      39      36      57     123       2      39      45      54     120       1
+      36      18       3      69       5      36      18      12      78       5
+      36      39      30      84      10      36      39      30      87      10
+      36      39      45     111       2      36      39      45     114       2
+      36      57      33      90       2      36      57      33      93       2
+      36      57      42     102       2      36      57      42     105       2
+      36      57      42     108       2      33      30      39      99      10
+      33      57      36      96       2      33      57      42     102       2
+      33      57      42     105       2      33      57      42     108       2
+      30      33      57     123       2      30      39      36      96       2
+      30      39      45     111       2      30      39      45     114       2
+      27      24       6      72       6      27      24      51     117       4
+      27      54      45     111       1      27      54      45     114       1
+      24      27      54     120       8      24      51      15      81       4
+      21      15      51     117       4      66       0       3      18       5
+      18      36      39      99       2      18      36      57     123       2
+      15      21       6      72       6      12      18       3      69       5
+      12      18      36      96       1      12      48       9      75      18
+       9       0       3      69       5       9      48      12      78      18
+       6      21      15      81       6       6      24      51     117       4
+       3       0       9      75       5       3      18      12      78       5
+       3      18      36      96       1      27      45     -54    -120      19
+      15      24     -51    -117      19      21      81     -15     -51      19
+      18      78     -12     -48      19       0      75      -9     -48      19
+      21      24      -6     -72      19       0      18      -3     -69      19
+      66       0      -9      -3      19
+%FLAG DIHEDRALS_WITHOUT_HYDROGEN                                                
+%FORMAT(10I8)                                                                   
+      51      15      21      63       6      51      24      27      54       9
+      51      24      27      60       9      45      39      36      57       2
+      45      54      27      60       8      39      30     -33      57       2
+      39      36      57      42       2      36      18      12      48       5
+      36      39      45      54       2      33      30     -39      36      11
+      33      30     -39      36      12      33      30     -39      36      13
+      33      30      39      45      11      33      30     -39      45      12
+      33      30     -39      45      13      33      57     -36      39       2
+      30      33     -57      36       2      30      33      57      42       2
+      30      39     -36      57       2      30      39      45      54       2
+      27      54      45      39      14      27      54     -45      39       1
+      27      54     -45      39      15      27      54     -45      39      16
+      24       6      21      63       6      24      27      54      45       8
+      21       6      24      27       6      21       6     -24      51       6
+      21      15     -51      24       4      18      36      39      30       2
+      18      36      39      45       2      18      36      57      33      17
+      18      36     -57      33       2      18      36      57      42      17
+      18      36     -57      42       2      15      21      -6      24       6
+      15      51      24      27       4      12      18      36      39       1
+      12      18      36      57       1       9       0       3      18       5
+       9      48     -12      18      18       6      21     -15      51       6
+       6      24      27      54       9       6      24      27      60       9
+       6      24     -51      15       4       3       0       9      48       5
+       3      18     -12      48       5       3      18      36      39       1
+       3      18      36      57       1       0       3      18      12       5
+       0       3      18      36       5       0       9     -48      12      18
+      24      54     -27     -60      20      27       6     -24     -51      19
+       6      15     -21     -63      19       3      12     -18     -36      19
+%FLAG EXCLUDED_ATOMS_LIST                                                       
+%FORMAT(10I8)                                                                   
+       2       4       5       7      13      17      23      24      26       4
+       5       7      13      14      17      20      23      24      26      27
+      33       6       8       9      10      18      19      21      22      25
+      28      40       5       7      17      23      24      26      27       7
+      13      14      17      20      24      26      27      33       8       9
+      10      18      22      25      28      40      11      12      13      14
+      15      16      17      20      23      24      27      33      34      42
+       9      10      18      22      25      28      40      10      16      18
+      19      21      22      25      28      40      41      14      16      18
+      19      21      25      38      39      40      41      12      13      14
+      15      16      19      20      29      30      31      32      33      34
+      38      39      42      13      14      15      16      20      29      30
+      31      32      33      34      35      36      37      42      14      15
+      16      17      19      20      24      27      29      30      31      32
+      33      34      35      36      37      38      39      42      15      16
+      19      20      29      30      31      32      33      34      38      39
+      41      42      20      31      32      33      35      36      37      42
+      19      20      21      29      30      33      34      38      39      41
+      23      26      27      19      21      22      25      28      40      21
+      34      38      39      41      29      30      31      32      33      34
+      35      36      37      42      41      25      28      24      26       0
+       0       0       0      40      30      31      32      34      31      32
+      34      32      42      42      34      42      38      39      36      37
+      42      37      42      42      39      41      41       0       0       0
+%FLAG HBOND_ACOEF                                                               
+%FORMAT(5E16.8)                                                                 
+
+%FLAG HBOND_BCOEF                                                               
+%FORMAT(5E16.8)                                                                 
+
+%FLAG HBCUT                                                                     
+%FORMAT(5E16.8)                                                                 
+
+%FLAG AMBER_ATOM_TYPE                                                           
+%FORMAT(20a4)                                                                   
+ca  ca  cc  ca  ca  cd  ca  cc  cd  c   c3  c3  c3  c3  c3  c3  nb  na  n   n4  
+o   cl  ha  ha  ha  h4  h4  h4  hc  hc  hx  hx  hx  hc  hx  hx  hx  h1  h1  hn  
+hn  hn  
+%FLAG TREE_CHAIN_CLASSIFICATION                                                 
+%FORMAT(20a4)                                                                   
+BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA 
+BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA 
+BLA BLA 
+%FLAG JOIN_ARRAY                                                                
+%FORMAT(10I8)                                                                   
+       0       0       0       0       0       0       0       0       0       0
+       0       0       0       0       0       0       0       0       0       0
+       0       0       0       0       0       0       0       0       0       0
+       0       0       0       0       0       0       0       0       0       0
+       0       0
+%FLAG IROTAT                                                                    
+%FORMAT(10I8)                                                                   
+       0       0       0       0       0       0       0       0       0       0
+       0       0       0       0       0       0       0       0       0       0
+       0       0       0       0       0       0       0       0       0       0
+       0       0       0       0       0       0       0       0       0       0
+       0       0
+%FLAG RADIUS_SET                                                                
+%FORMAT(1a80)                                                                   
+modified Bondi radii (mbondi)                                                   
+%FLAG RADII                                                                     
+%FORMAT(5E16.8)                                                                 
+  1.70000000E+00  1.70000000E+00  1.70000000E+00  1.70000000E+00  1.70000000E+00
+  1.70000000E+00  1.70000000E+00  1.70000000E+00  1.70000000E+00  1.70000000E+00
+  1.70000000E+00  1.70000000E+00  1.70000000E+00  1.70000000E+00  1.70000000E+00
+  1.70000000E+00  1.55000000E+00  1.55000000E+00  1.55000000E+00  1.55000000E+00
+  1.50000000E+00  1.70000000E+00  1.30000000E+00  1.30000000E+00  1.30000000E+00
+  1.30000000E+00  1.30000000E+00  1.30000000E+00  1.30000000E+00  1.30000000E+00
+  1.30000000E+00  1.30000000E+00  1.30000000E+00  1.30000000E+00  1.30000000E+00
+  1.30000000E+00  1.30000000E+00  1.30000000E+00  1.30000000E+00  1.30000000E+00
+  1.30000000E+00  1.30000000E+00
+%FLAG SCREEN                                                                    
+%FORMAT(5E16.8)                                                                 
+  7.20000000E-01  7.20000000E-01  7.20000000E-01  7.20000000E-01  7.20000000E-01
+  7.20000000E-01  7.20000000E-01  7.20000000E-01  7.20000000E-01  7.20000000E-01
+  7.20000000E-01  7.20000000E-01  7.20000000E-01  7.20000000E-01  7.20000000E-01
+  7.20000000E-01  7.90000000E-01  7.90000000E-01  7.90000000E-01  7.90000000E-01
+  8.50000000E-01  8.00000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01
+  8.50000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01
+  8.50000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01
+  8.50000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01
+  8.50000000E-01  8.50000000E-01
+%FLAG IPOL                                                                      
+%FORMAT(1I8)                                                                    
+       0
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/complex.prmtop	Tue Nov 30 10:00:44 2021 +0000
@@ -0,0 +1,19476 @@
+%VERSION  VERSION_STAMP = V0001.000  DATE = 10/09/09  16:22:47                  
+%FLAG TITLE                                                                     
+%FORMAT(20a4)                                                                   
+                                                                                
+%FLAG POINTERS                                                                  
+%FORMAT(10I8)                                                                   
+    3941      15    1991    1991    4536    2694    8432    6711       0       0
+   21774     241    1991    2694    6711      59     119      51      42       0
+       0       0       0       0       0       0       0       0      61       0
+       0
+%FLAG ATOM_NAME                                                                 
+%FORMAT(20a4)                                                                   
+N   H1  H2  H3  CA  HA  CB  HB1 HB2 HB3 C   O   N   H   CA  HA  CB  HB2 HB3 CG  
+HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   O   N   H   CA  HA  CB  HB2 HB3 OG  HG  
+C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   
+O   N   H   CA  HA  CB  HB  CG2 HG21HG22HG23OG1 HG1 C   O   N   H   CA  HA  CB  
+HB1 HB2 HB3 C   O   N   H   CA  HA  CB  HB2 HB3 CG  OD1 OD2 C   O   N   H   CA  
+HA  CB  HB2 HB3 CG  HG2 HG3 CD  OE1 NE2 HE21HE22C   O   N   H   CA  HA  CB  HB2 
+HB3 CG  HG2 HG3 SD  CE  HE1 HE2 HE3 C   O   N   H   CA  HA  CB  HB  CG1 HG11HG12
+HG13CG2 HG21HG22HG23C   O   N   H   CA  HA  CB  HB2 HB3 OG  HG  C   O   N   H   
+CA  HA  CB  HB1 HB2 HB3 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12
+HD13CD2 HD21HD22HD23C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13
+CD2 HD21HD22HD23C   O   N   H   CA  HA  CB  HB2 HB3 CG  OD1 OD2 C   O   N   H   
+CA  HA  CB  HB1 HB2 HB3 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  OE1 
+OE2 C   O   N   CD  HD2 HD3 CG  HG2 HG3 CB  HB2 HB3 CA  HA  C   O   N   CD  HD2 
+HD3 CG  HG2 HG3 CB  HB2 HB3 CA  HA  C   O   N   H   CA  HA  CB  HB  CG2 HG21HG22
+HG23CG1 HG12HG13CD1 HD11HD12HD13C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 
+HD11HD12HD13CD2 HD21HD22HD23C   O   N   H   CA  HA  CB  HB2 HB3 CG  CD1 HD1 CE1 
+HE1 CZ  OH  HH  CE2 HE2 CD2 HD2 C   O   N   H   CA  HA  CB  HB2 HB3 OG  HG  C   
+O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  OE1 OE2 C   O   N   H   CA  HA  
+CB  HB2 HB3 CG  CD1 HD1 CE1 HE1 CZ  OH  HH  CE2 HE2 CD2 HD2 C   O   N   H   CA  
+HA  CB  HB2 HB3 CG  OD1 OD2 C   O   N   CD  HD2 HD3 CG  HG2 HG3 CB  HB2 HB3 CA  
+HA  C   O   N   H   CA  HA  CB  HB  CG2 HG21HG22HG23OG1 HG1 C   O   N   H   CA  
+HA  CB  HB2 HB3 CG  HG2 HG3 CD  HD2 HD3 NE  HE  CZ  NH1 HH11HH12NH2 HH21HH22C   
+O   N   CD  HD2 HD3 CG  HG2 HG3 CB  HB2 HB3 CA  HA  C   O   N   H   CA  HA  CB  
+HB2 HB3 CG  CD1 HD1 CE1 HE1 CZ  HZ  CE2 HE2 CD2 HD2 C   O   N   H   CA  HA  CB  
+HB2 HB3 OG  HG  C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  OE1 OE2 C   
+O   N   H   CA  HA  CB  HB1 HB2 HB3 C   O   N   H   CA  HA  CB  HB2 HB3 OG  HG  
+C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 SD  CE  HE1 HE2 HE3 C   O   N   
+H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 SD  CE  HE1 HE2 HE3 C   O   N   H   CA  HA2 
+HA3 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 HD21HD22HD23
+C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   
+O   N   H   CA  HA  CB  HB  CG2 HG21HG22HG23OG1 HG1 C   O   N   H   CA  HA  CB  
+HB2 HB3 CG  OD1 ND2 HD21HD22C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11
+HD12HD13CD2 HD21HD22HD23C   O   N   H   CA  HA  CB  HB1 HB2 HB3 C   O   N   H   
+CA  HA  CB  HB2 HB3 CG  OD1 OD2 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 
+CD  HD2 HD3 NE  HE  CZ  NH1 HH11HH12NH2 HH21HH22C   O   N   H   CA  HA  CB  HB2 
+HB3 CG  HG2 HG3 CD  OE1 OE2 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11
+HD12HD13CD2 HD21HD22HD23C   O   N   H   CA  HA  CB  HB  CG1 HG11HG12HG13CG2 HG21
+HG22HG23C   O   N   H   CA  HA  CB  HB2 HB3 CG  ND1 CE1 HE1 NE2 HE2 CD2 HD2 C   
+O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 SD  CE  HE1 HE2 HE3 C   O   N   H   
+CA  HA  CB  HB  CG2 HG21HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C   O   N   H   CA  
+HA  CB  HB2 HB3 CG  OD1 ND2 HD21HD22C   O   N   H   CA  HA  CB  HB2 HB3 CG  CD1 
+HD1 NE1 HE1 CE2 CZ2 HZ2 CH2 HH2 CZ3 HZ3 CE3 HE3 CD2 C   O   N   H   CA  HA  CB  
+HB1 HB2 HB3 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  HD2 HD3 CE  HE2 
+HE3 NZ  HZ1 HZ2 HZ3 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  HD2 HD3 
+NE  HE  CZ  NH1 HH11HH12NH2 HH21HH22C   O   N   H   CA  HA  CB  HB  CG1 HG11HG12
+HG13CG2 HG21HG22HG23C   O   N   CD  HD2 HD3 CG  HG2 HG3 CB  HB2 HB3 CA  HA  C   
+O   N   H   CA  HA2 HA3 C   O   N   H   CA  HA  CB  HB2 HB3 CG  CD1 HD1 CE1 HE1 
+CZ  HZ  CE2 HE2 CD2 HD2 C   O   N   H   CA  HA  CB  HB  CG1 HG11HG12HG13CG2 HG21
+HG22HG23C   O   N   H   CA  HA  CB  HB2 HB3 CG  OD1 OD2 C   O   N   H   CA  HA  
+CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   O   N   H   CA  HA  CB  
+HB  CG2 HG21HG22HG23OG1 HG1 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11
+HD12HD13CD2 HD21HD22HD23C   O   N   H   CA  HA  CB  HB2 HB3 CG  ND1 CE1 HE1 NE2 
+HE2 CD2 HD2 C   O   N   H   CA  HA  CB  HB2 HB3 CG  OD1 OD2 C   O   N   H   CA  
+HA  CB  HB2 HB3 CG  HG2 HG3 CD  OE1 NE2 HE21HE22C   O   N   H   CA  HA  CB  HB  
+CG1 HG11HG12HG13CG2 HG21HG22HG23C   O   N   H   CA  HA  CB  HB2 HB3 CG  ND1 CE1 
+HE1 NE2 HE2 CD2 HD2 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13
+CD2 HD21HD22HD23C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 
+HD21HD22HD23C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  OE1 OE2 C   O   
+N   H   CA  HA  CB  HB2 HB3 SG  HG  C   O   N   H   CA  HA  CB  HB1 HB2 HB3 C   
+O   N   H   CA  HA  CB  HB2 HB3 CG  CD1 HD1 NE1 HE1 CE2 CZ2 HZ2 CH2 HH2 CZ3 HZ3 
+CE3 HE3 CD2 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 HD21
+HD22HD23C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  OE1 OE2 C   O   N   
+H   CA  HA  CB  HB  CG2 HG21HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C   O   N   H   
+CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   O   N   H   CA  
+HA  CB  HB2 HB3 CG  HG2 HG3 SD  CE  HE1 HE2 HE3 C   O   N   H   CA  HA  CB  HB  
+CG2 HG21HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C   O   N   H   CA  HA2 HA3 C   O   
+N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   O   N   
+H   CA  HA  CB  HB  CG1 HG11HG12HG13CG2 HG21HG22HG23C   O   N   H   CA  HA  CB  
+HB2 HB3 CG  CD1 HD1 NE1 HE1 CE2 CZ2 HZ2 CH2 HH2 CZ3 HZ3 CE3 HE3 CD2 C   O   N   
+H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  HD2 HD3 NE  HE  CZ  NH1 HH11HH12NH2 HH21
+HH22C   O   N   H   CA  HA  CB  HB2 HB3 OG  HG  C   O   N   H   CA  HA  CB  HB2 
+HB3 CG  HG2 HG3 SD  CE  HE1 HE2 HE3 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 
+HG3 CD  OE1 OE2 C   O   N   H   CA  HA  CB  HB2 HB3 CG  ND1 CE1 HE1 NE2 HE2 CD2 
+HD2 C   O   N   CD  HD2 HD3 CG  HG2 HG3 CB  HB2 HB3 CA  HA  C   O   N   H   CA  
+HA2 HA3 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  HD2 HD3 CE  HE2 HE3 
+NZ  HZ1 HZ2 HZ3 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 
+HD21HD22HD23C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 HD21
+HD22HD23C   O   N   H   CA  HA  CB  HB2 HB3 CG  CD1 HD1 CE1 HE1 CZ  HZ  CE2 HE2 
+CD2 HD2 C   O   N   H   CA  HA  CB  HB1 HB2 HB3 C   O   N   CD  HD2 HD3 CG  HG2 
+HG3 CB  HB2 HB3 CA  HA  C   O   N   H   CA  HA  CB  HB2 HB3 CG  OD1 ND2 HD21HD22
+C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   
+O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   O   
+N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   O   N   
+H   CA  HA  CB  HB2 HB3 CG  OD1 OD2 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 
+HG3 CD  HD2 HD3 NE  HE  CZ  NH1 HH11HH12NH2 HH21HH22C   O   N   H   CA  HA  CB  
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+OE1 NE2 HE21HE22C   O   N   H   CA  HA2 HA3 C   O   N   H   CA  HA  CB  HB2 HB3 
+CG  HG2 HG3 CD  HD2 HD3 CE  HE2 HE3 NZ  HZ1 HZ2 HZ3 C   O   N   H   CA  HA  CB  
+HB2 HB3 SG  HG  C   O   N   H   CA  HA  CB  HB  CG1 HG11HG12HG13CG2 HG21HG22HG23
+C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  OE1 OE2 C   O   N   H   CA  
+HA2 HA3 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 SD  CE  HE1 HE2 HE3 C   
+O   N   H   CA  HA  CB  HB  CG1 HG11HG12HG13CG2 HG21HG22HG23C   O   N   H   CA  
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+N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   O   N   
+H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   O   N   H   
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+C   O   N   H   CA  HA  CB  HB2 HB3 OG  HG  C   O   N   H   CA  HA  CB  HB2 HB3 
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+N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   O   N   
+H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  OE1 NE2 HE21HE22C   O   N   H   CA  HA2 
+HA3 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  OE1 OE2 C   O   N   H   
+CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  OE1 OE2 C   O   N   H   CA  HA  CB  HB2 HB3 
+CG  CD1 HD1 CE1 HE1 CZ  HZ  CE2 HE2 CD2 HD2 C   O   N   H   CA  HA  CB  HB  CG1 
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+H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  HD2 HD3 CE  HE2 HE3 NZ  HZ1 HZ2 HZ3 C   
+O   N   H   CA  HA  CB  HB2 HB3 OG  HG  C   O   N   H   CA  HA  CB  HB  CG2 HG21
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+HD12HD13CD2 HD21HD22HD23C   O   N   H   CA  HA  CB  HB2 HB3 CG  OD1 ND2 HD21HD22
+C   O   N   H   CA  HA  CB  HB2 HB3 OG  HG  C   O   N   H   CA  HA2 HA3 C   O   
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+HA  CB  HB  CG2 HG21HG22HG23OG1 HG1 C   O   N   H   CA  HA  CB  HB2 HB3 CG  CD1 
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+HE3 NZ  HZ1 HZ2 HZ3 C   O   N   H   CA  HA  CB  HB2 HB3 OG  HG  C   O   N   H   
+CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   O   N   H   CA  
+HA  CB  HB2 HB3 CG  HG2 HG3 CD  OE1 OE2 C   O   N   H   CA  HA  CB  HB2 HB3 CG  
+HG2 HG3 CD  OE1 OE2 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  HD2 HD3 
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+O   N   H   CA  HA  CB  HB2 HB3 CG  ND1 CE1 HE1 NE2 HE2 CD2 HD2 C   O   N   H   
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+CG  OD1 OD2 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  HD2 HD3 CE  HE2 
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+O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   O   
+N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 SD  CE  HE1 HE2 HE3 C   O   N   H   CA  
+HA  CB  HB1 HB2 HB3 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  HD2 HD3 
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+HG2 HG3 CD  OE1 NE2 HE21HE22C   O   N   H   CA  HA  CB  HB2 HB3 CG  ND1 CE1 HE1 
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+H   CA  HA  CB  HB2 HB3 CG  ND1 CE1 HE1 NE2 HE2 CD2 HD2 C   O   N   H   CA  HA  
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+H   CA  HA  CB  HB2 HB3 CG  ND1 CE1 HE1 NE2 HE2 CD2 HD2 C   O   N   H   CA  HA  
+CB  HB2 HB3 CG  HG2 HG3 SD  CE  HE1 HE2 HE3 C   O   N   H   CA  HA  CB  HB2 HB3 
+OG  HG  C   O   N   H   CA  HA  CB  HB2 HB3 CG  OD1 ND2 HD21HD22C   O   N   H   
+CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  HD2 HD3 CE  HE2 HE3 NZ  HZ1 HZ2 HZ3 C   O   
+N   H   CA  HA2 HA3 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 SD  CE  HE1 
+HE2 HE3 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  OE1 OE2 C   O   N   
+H   CA  HA  CB  HB2 HB3 CG  ND1 CE1 HE1 NE2 HE2 CD2 HD2 C   O   N   H   CA  HA  
+CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   O   N   H   CA  HA  CB  
+HB2 HB3 CG  CD1 HD1 CE1 HE1 CZ  OH  HH  CE2 HE2 CD2 HD2 C   O   N   H   CA  HA  
+CB  HB2 HB3 OG  HG  C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 SD  CE  HE1 
+HE2 HE3 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  HD2 HD3 CE  HE2 HE3 
+NZ  HZ1 HZ2 HZ3 C   O   N   H   CA  HA  CB  HB2 HB3 SG  HG  C   O   N   H   CA  
+HA  CB  HB2 HB3 CG  HG2 HG3 CD  HD2 HD3 CE  HE2 HE3 NZ  HZ1 HZ2 HZ3 C   O   N   
+H   CA  HA  CB  HB2 HB3 CG  OD1 ND2 HD21HD22C   O   N   H   CA  HA  CB  HB  CG1 
+HG11HG12HG13CG2 HG21HG22HG23C   O   N   H   CA  HA  CB  HB  CG1 HG11HG12HG13CG2 
+HG21HG22HG23C   O   N   CD  HD2 HD3 CG  HG2 HG3 CB  HB2 HB3 CA  HA  C   O   N   
+H   CA  HA  CB  HB2 HB3 CG  CD1 HD1 CE1 HE1 CZ  OH  HH  CE2 HE2 CD2 HD2 C   O   
+N   H   CA  HA  CB  HB2 HB3 CG  OD1 OD2 C   O   N   H   CA  HA  CB  HB2 HB3 CG  
+HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  
+CD1 HD11HD12HD13CD2 HD21HD22HD23C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 
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+OE1 OE2 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 SD  CE  HE1 HE2 HE3 C   
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+N   H   CA  HA  CB  HB2 HB3 CG  OD1 OD2 C   O   N   H   CA  HA  CB  HB1 HB2 HB3 
+C   O   N   H   CA  HA  CB  HB2 HB3 CG  ND1 CE1 HE1 NE2 HE2 CD2 HD2 C   O   OXT 
+O11 H7  C11 C12 C13 H9  H8  C10 H6  C9  H5  C8  C7  S6  C5  C4  H4  C3  O3  H3  
+C2  H2  C1  H1  C14 C15 C16 O16 C17 C22 C21 H12 H13 C18 H10 C19 H11 C20 O23 C24 
+H14 H15 C25 H16 H17 N26 C27 H18 H19 C28 H20 H21 C29 H22 H23 C30 H24 H25 C31 H26 
+H27 
+%FLAG CHARGE                                                                    
+%FORMAT(5E16.8)                                                                 
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+%FLAG MASS                                                                      
+%FORMAT(5E16.8)                                                                 
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+%FLAG ATOM_TYPE_INDEX                                                           
+%FORMAT(10I8)                                                                   
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+       5       6       1       6      13       1       2       6      14       6
+       7       1       2       3       8       3       5       5       3       8
+       8      11       3       8       8       8       6       7       1       2
+       3       8       3       5       3       5       5       5       3       5
+       5       3       5       5       5       6       7       1       2       3
+       8       3       5       5       6       7       1       2       2       6
+       7       1       2       3       8       3       5       5       6       6
+      14       1       2       6       6      12       6      12       6      12
+       6      12       6       6       7       1       2       3       8       3
+       5       5       5       6       7       1       2       3       8       3
+       5       5       3       5       5       3       5       5       3       4
+       4       1       2       2       2       6       7       1       2       3
+       8       3       5       5       3       5       5       3       8       8
+       1       2       6       1       2       2       1       2       2       6
+       7       1       2       3       8       3       5       3       5       5
+       5       3       5       5       5       6       7       1       3       8
+       8       3       5       5       3       5       5       3       8       6
+       7       1       2       3       8       8       6       7       1       2
+       3       8       3       5       5       6       6      12       6      12
+       6      12       6      12       6      12       6       7       1       2
+       3       8       3       5       3       5       5       5       3       5
+       5       5       6       7       1       2       3       8       3       5
+       5       6       7       7       6       7       1       2       3       8
+       3       5       5       3       5       3       5       5       5       3
+       5       5       5       6       7       1       2       3       8       3
+       8       3       5       5       5       9      10       6       7       1
+       2       3       8       3       5       5       3       5       3       5
+       5       5       3       5       5       5       6       7       1       2
+       3       8       3       5       5       6       1       6      13       1
+       2       6      14       6       7       1       2       3       8       3
+       5       5       6       7       7       6       7       1       2       3
+       8       3       5       5       3       5       5       6       7       1
+       2       2       6       7       1       2       3       8       3       5
+       3       5       5       5       3       5       5       5       6       7
+       1       2       3       8       3       5       5       6       1       6
+      13       1       2       6      14       6       7       1       2       3
+       8       3       5       5       3       5       3       5       5       5
+       3       5       5       5       6       7       1       2       3       8
+       3       5       5       3       5       3       5       5       5       3
+       5       5       5       6       7       1       2       3       8       3
+       5       5       3       5       5       6       7       7       6       7
+       1       2       3       8       3       8       8      11       2       6
+       7       1       2       3       8       3       5       5       5       6
+       7       1       2       3       8       3       5       5       6       6
+      14       1       2       6       6      12       6      12       6      12
+       6      12       6       6       7       1       2       3       8       3
+       5       5       3       5       3       5       5       5       3       5
+       5       5       6       7       1       2       3       8       3       5
+       5       3       5       5       6       7       7       6       7       1
+       2       3       8       3       5       3       5       5       5       3
+       5       5       3       5       5       5       6       7       1       2
+       3       8       3       5       5       3       5       3       5       5
+       5       3       5       5       5       6       7       1       2       3
+       8       3       5       5       3       8       8      11       3       8
+       8       8       6       7       1       2       3       8       3       5
+       3       5       5       5       3       5       5       3       5       5
+       5       6       7       1       2       3       8       8       6       7
+       1       2       3       8       3       5       5       3       5       3
+       5       5       5       3       5       5       5       6       7       1
+       2       3       8       3       5       3       5       5       5       3
+       5       5       5       6       7       1       2       3       8       3
+       5       5       6       6      14       1       2       6       6      12
+       6      12       6      12       6      12       6       6       7       1
+       2       3       8       3       5       5       3       5       5       3
+       8       8       1       2       6       1       2       2       1       2
+       2       6       7       1       2       3       8       3       8       8
+       9      10       6       7       1       2       3       8       3       5
+       5       3       8       8      11       3       8       8       8       6
+       7       1       2       3       8       3       5       5       3       5
+       5       6       7       7       6       7       1       2       3       8
+       3       5       5       6       1       6      13       1       2       6
+      14       6       7       1       3       8       8       3       5       5
+       3       5       5       3       8       6       7       1       2       3
+       8       8       6       7       1       2       3       8       3       5
+       5       3       5       5       3       5       5       3       4       4
+       1       2       2       2       6       7       1       2       3       8
+       3       5       5       3       5       3       5       5       5       3
+       5       5       5       6       7       1       2       3       8       3
+       5       5       3       5       3       5       5       5       3       5
+       5       5       6       7       1       2       3       8       3       5
+       5       6       6      12       6      12       6      12       6      12
+       6      12       6       7       1       2       3       8       3       5
+       5       5       6       7       1       3       8       8       3       5
+       5       3       5       5       3       8       6       7       1       2
+       3       8       3       5       5       6       7       1       2       2
+       6       7       1       2       3       8       3       5       5       3
+       5       3       5       5       5       3       5       5       5       6
+       7       1       2       3       8       3       5       5       3       5
+       3       5       5       5       3       5       5       5       6       7
+       1       2       3       8       3       5       5       3       5       3
+       5       5       5       3       5       5       5       6       7       1
+       2       3       8       3       5       5       6       7       7       6
+       7       1       2       3       8       3       5       5       3       5
+       5       3       8       8       1       2       6       1       2       2
+       1       2       2       6       7       1       2       3       8       3
+       5       5       6       7       1       2       2       6       7       1
+       2       3       8       3       5       5       3       5       5       6
+       7       1       2       2       6       7       1       2       3       8
+       8       6       7       1       2       3       8       3       5       5
+       3       5       5       3       5       5       3       4       4       1
+       2       2       2       6       7       1       2       3       8       3
+       8       8      11       2       6       7       1       2       3       8
+       3       5       3       5       5       5       3       5       5       5
+       6       7       1       2       3       8       3       5       5       3
+       5       5       6       7       7       6       7       1       2       3
+       8       8       6       7       1       2       3       8       3       5
+       5       3       8       8      11       3       8       8       8       6
+       7       1       2       3       8       3       5       3       5       5
+       5       3       5       5       5       6       7       1       2       3
+       8       3       5       5       3       5       5       6       7       7
+       6       7       1       2       3       8       3       5       3       5
+       5       5       3       5       5       3       5       5       5       6
+       7       1       2       3       8       3       5       5       6       6
+      12       6      12       6      12       6      12       6      12       6
+       7       1       2       3       8       3       5       5       6       7
+       7       6       7       1       2       3       8       3       5       5
+       3       8       8      11       3       8       8       8       6       7
+       1       2       3       8       3       5       5       3       5       3
+       5       5       5       3       5       5       5       6       7       1
+       2       3       8       3       5       5       3       5       3       5
+       5       5       3       5       5       5       6       7       1       2
+       3       8       3       5       5       5       6       7       1       2
+       3       8       3       8       3       5       5       5       9      10
+       6       7       1       2       3       8       3       8       8       9
+      10       6       7       1       2       3       8       3       8       8
+       9      10       6       7       1       2       3       8       3       5
+       5       3       5       5       3       8       8       1       2       6
+       1       2       2       1       2       2       6       7       1       2
+       3       8       3       5       5       6       6      12       6      12
+       6      12       6      12       6      12       6       7       1       2
+       3       8       3       5       5       3       5       5       3       8
+       8       1       2       6       1       2       2       1       2       2
+       6       7       1       2       3       8       3       5       5       3
+       8       8      11       3       8       8       8       6       7       1
+       2       3       8       3       5       5       3       8       8      11
+       3       8       8       8       6       7       1       2       3       8
+       3       5       5       6       7       1       2       2       6       7
+       1       2       3       8       3       5       5       3       5       3
+       5       5       5       3       5       5       5       6       7       1
+       2       3       8       3       5       5       3       5       5       6
+       7       1       2       2       6       7       1       2       3       8
+       8       6       7       1       2       3       8       3       5       5
+       3       5       5       6       7       7       6       7       1       2
+       3       8       3       5       5       3       5       5       6       7
+       7       6       7       1       2       3       8       3       5       5
+       6       6      12       6      12       6      12       6      12       6
+      12       6       7       1       2       3       8       3       5       3
+       5       5       5       3       5       5       5       6       7       1
+       2       3       8       3       8       8      11       2       6       7
+       1       2       3       8       3       5       5       3       5       3
+       5       5       5       3       5       5       5       6       7       1
+       2       3       8       3       5       5       3       5       5       3
+       5       5       3       4       4       1       2       2       2       6
+       7       1       2       3       8       3       8       8       9      10
+       6       7       1       2       3       8       3       5       3       5
+       5       5       3       5       5       3       5       5       5       6
+       7       1       2       3       8       3       5       3       5       5
+       5       3       5       5       3       5       5       5       6       7
+       1       2       3       8       3       5       5       3       5       3
+       5       5       5       3       5       5       5       6       7       1
+       2       3       8       3       5       5       3       5       3       5
+       5       5       3       5       5       5       6       7       1       2
+       3       8       3       5       5       6       7       1       2       2
+       6       7       1       2       3       8       3       8       8       9
+      10       6       7       1       2       3       8       8       6       7
+       1       2       3       8       3       5       3       5       5       5
+       3       5       5       5       6       7       1       2       3       8
+       3       5       5       6       6      12       6      12       6       9
+      10       6      12       6      12       6       7       1       2       3
+       8       3       8       3       5       5       5       9      10       6
+       7       1       2       3       8       3       5       5       6       6
+      12       6      12       6      12       6      12       6      12       6
+       7       1       2       3       8       3       5       5       3       5
+       3       5       5       5       3       5       5       5       6       7
+       1       2       3       8       3       8       8       9      10       6
+       7       1       2       3       8       3       8       8       9      10
+       6       7       1       2       3       8       3       8       3       5
+       5       5       9      10       6       7       1       2       3       8
+       3       5       5       3       5       3       5       5       5       3
+       5       5       5       6       7       1       2       3       8       3
+       5       5       3       5       5       3       5       5       3       4
+       4       1       2       2       2       6       7       1       2       3
+       8       3       8       8       9      10       6       7       1       2
+       3       8       3       5       5       3       5       3       5       5
+       5       3       5       5       5       6       7       1       2       3
+       8       3       5       5       3       5       5       6       7       7
+       6       7       1       2       3       8       3       5       5       3
+       5       5       6       7       7       6       7       1       2       3
+       8       3       5       5       3       5       5       3       5       5
+       3       4       4       1       2       2       2       6       7       1
+       2       3       8       3       5       5       6       7       7       6
+       7       1       2       3       8       3       5       5       6       1
+       6      13       1       2       6      14       6       7       1       2
+       3       8       3       5       3       5       5       5       3       5
+       5       3       5       5       5       6       7       1       2       3
+       8       3       5       5       6       1       6      13       1       2
+       6      14       6       7       1       2       3       8       3       5
+       5       3       5       5       3       8       8       1       2       6
+       1       2       2       1       2       2       6       7       1       2
+       3       8       3       5       3       5       5       5       3       5
+       5       5       6       7       1       2       3       8       3       5
+       5       3       5       3       5       5       5       3       5       5
+       5       6       7       1       2       3       8       3       5       5
+       6       7       7       6       7       1       2       3       8       3
+       5       5       3       5       5       3       5       5       3       4
+       4       1       2       2       2       6       7       1       2       3
+       8       3       5       3       5       5       5       3       5       5
+       3       5       5       5       6       7       1       2       3       8
+       3       8       3       5       5       5       9      10       6       7
+       1       2       3       8       3       5       5       6       7       7
+       6       7       1       2       3       8       3       8       3       5
+       5       5       9      10       6       7       1       2       3       8
+       3       5       5       3       5       3       5       5       5       3
+       5       5       5       6       7       1       2       3       8       3
+       5       3       5       5       5       3       5       5       3       5
+       5       5       6       7       1       2       3       8       3       5
+       5       6       1       6      13       1       2       6      14       6
+       7       1       2       3       8       3       5       5       3       5
+       3       5       5       5       3       5       5       5       6       7
+       1       2       3       8       3       5       5       3       8       8
+      11       3       8       8       8       6       7       1       2       3
+       8       3       5       5       5       6       7       1       2       3
+       8       3       5       5       3       5       5       3       5       5
+       3       4       4       1       2       2       2       6       7       1
+       2       3       8       3       5       5       5       6       7       1
+       2       3       8       8       6       7       1       2       3       8
+       3       5       5       3       5       3       5       5       5       3
+       5       5       5       6       7       1       2       3       8       3
+       8       3       5       5       5       9      10       6       7       1
+       2       3       8       3       5       5       3       5       3       5
+       5       5       3       5       5       5       6       7       1       2
+       3       8       3       5       5       3       5       5       6       7
+       1       2       2       6       7       1       2       3       8       3
+       5       5       3       5       5       6       7       1       2       2
+       6       7       1       2       3       8       3       5       5       3
+       5       5       6       7       1       2       2       6       7       1
+       2       3       8       3       5       5       6       1       6      13
+       1       2       6      14       6       7       1       2       3       8
+       3       5       5       3       5       5       6       7       1       2
+       2       6       7       1       2       3       8       3       5       5
+       3       5       5       3       8       8       1       2       6       1
+       2       2       1       2       2       6       7       1       2       3
+       8       3       5       5       3       5       3       5       5       5
+       3       5       5       5       6       7       1       2       3       8
+       3       5       5       5       6       7       1       2       3       8
+       3       5       5       3       5       5       6       7       1       2
+       2       6       7       1       2       3       8       3       5       5
+       3       5       3       5       5       5       3       5       5       5
+       6       7       1       2       3       8       3       5       5       3
+       5       3       5       5       5       3       5       5       5       6
+       7       1       2       3       8       3       5       5       3       5
+       3       5       5       5       3       5       5       5       6       7
+       1       2       3       8       3       5       3       5       5       5
+       3       5       5       3       5       5       5       6       7       1
+       2       3       8       3       5       5       3       5       3       5
+       5       5       3       5       5       5       6       7       1       2
+       3       8       3       8       8       9      10       6       7       1
+       2       3       8       3       5       5       6       1       6      13
+       1       2       6      14       6       7       1       2       3       8
+       3       5       3       5       5       5       3       5       5       3
+       5       5       5       6       7       1       2       3       8       3
+       5       5       3       5       5       3       8       8       1       2
+       6       1       2       2       1       2       2       6       7       1
+       2       3       8       3       5       5       6       1       6      13
+       1       2       6      14       6       7       1       2       3       8
+       3       5       5       3       8       8      11       3       8       8
+       8       6       7       1       2       3       8       3       8       8
+       9      10       6       7       1       2       3       8       3       5
+       5       6       7       1       2       2       6       7       1       2
+       3       8       3       5       5       3       5       5       3       5
+       5       3       4       4       1       2       2       2       6       7
+       1       2       3       8       8       6       7       1       2       3
+       8       3       5       5       3       8       8      11       3       8
+       8       8       6       7       1       2       3       8       3       5
+       5       3       5       5       6       7       7       6       7       1
+       2       3       8       3       5       5       6       1       6      13
+       1       2       6      14       6       7       1       2       3       8
+       3       5       5       3       5       3       5       5       5       3
+       5       5       5       6       7       1       2       3       8       3
+       5       5       6       6      12       6      12       6       9      10
+       6      12       6      12       6       7       1       2       3       8
+       3       8       8       9      10       6       7       1       2       3
+       8       3       5       5       3       8       8      11       3       8
+       8       8       6       7       1       2       3       8       3       5
+       5       3       5       5       3       5       5       3       4       4
+       1       2       2       2       6       7       1       2       3       8
+       3       8       8      11       2       6       7       1       2       3
+       8       3       5       5       3       5       5       3       5       5
+       3       4       4       1       2       2       2       6       7       1
+       2       3       8       3       5       5       6       7       1       2
+       2       6       7       1       2       3       8       3       5       3
+       5       5       5       3       5       5       5       6       7       1
+       2       3       8       3       5       3       5       5       5       3
+       5       5       5       6       7       1       3       8       8       3
+       5       5       3       5       5       3       8       6       7       1
+       2       3       8       3       5       5       6       6      12       6
+      12       6       9      10       6      12       6      12       6       7
+       1       2       3       8       3       5       5       6       7       7
+       6       7       1       2       3       8       3       5       5       3
+       5       3       5       5       5       3       5       5       5       6
+       7       1       2       3       8       3       5       5       3       5
+       3       5       5       5       3       5       5       5       6       7
+       1       2       3       8       3       5       5       3       5       3
+       5       5       5       3       5       5       5       6       7       1
+       2       3       8       3       5       5       3       5       5       6
+       7       7       6       7       1       2       3       8       3       5
+       5       3       8       8      11       3       8       8       8       6
+       7       1       2       3       8       3       5       5       3       5
+       3       5       5       5       3       5       5       5       6       7
+       1       2       3       8       3       5       5       6       7       7
+       6       7       1       2       3       8       3       5       5       5
+       6       7       1       2       3       8       3       5       5       6
+       1       6      13       1       2       6      14       6       7       7
+       9      10       6       6       6      12      12       6      12       6
+      12       6       6      11       6       6      12       6       9      10
+       6      12       6      12       6       6       6       7       6       6
+       6      12      12       6      12       6      12       6      15       3
+       8       8       3       8       8       1       3       8       8       3
+       5       5       3       5       5       3       5       5       3       8
+       8
+%FLAG NUMBER_EXCLUDED_ATOMS                                                     
+%FORMAT(10I8)                                                                   
+      12       6       5       4      10       7       6       3       2       1
+       7       3      10       4      13       7      15       6       5      10
+       8       7       3       2       1       3       2       1       1       7
+       3      10       4      11       7       7       4       3       2       1
+       7       3      10       4      13       7      15       6       5      10
+       8       7       3       2       1       3       2       1       1       7
+       3      10       4      14       7      10       7       6       3       2
+       1       2       1       7       3      10       4      10       7       6
+       3       2       1       7       3      10       4      12       7       8
+       5       4       3       1       1       7       3      10       4      13
+       7      11       6       5       8       4       3       4       3       2
+       1       1       7       3      10       4      13       7      10       6
+       5       8       3       2       4       3       2       1       1       7
+       3      10       4      16       7      12       9       8       3       2
+       1       4       2       1       1       7       3      10       4      11
+       7       7       4       3       2       1       7       3      10       4
+      10       7       6       3       2       1       7       3      10       4
+      13       7      15       6       5      10       8       7       3       2
+       1       3       2       1       1       7       3      10       4      13
+       7      15       6       5      10       8       7       3       2       1
+       3       2       1       1       7       3      10       4      12       7
+       8       5       4       3       1       1       7       3      10       4
+      10       7       6       3       2       1       7       3      10       4
+      13       7      11       6       5       6       4       3       2       1
+       1      10       3      14      11       6       5       8       5       4
+       7       4       3       6       3      10       3      14      11       6
+       5       8       5       4       7       4       3       6       3       7
+       3      10       4      16       7      15       9       8       3       2
+       1       7       5       4       3       2       1       1       7       3
+      10       4      13       7      15       6       5      10       8       7
+       3       2       1       3       2       1       1       7       3      10
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+       6       5       3       3       2       1       1       2       1       1
+       8       3       9       8       9       4       2       5       3       5
+       2       6       9       8      10       9       4       7       4       1
+       5       3       4       2       4       5       8       3       9       8
+       8       4       2       5       3       4       2       5       7       8
+       5       4      11       4       3      13      12       6       5       9
+       5       4       8       5       4       5       4       3       2       1
+       1
+%FLAG NONBONDED_PARM_INDEX                                                      
+%FORMAT(10I8)                                                                   
+       1       2       4       7      11      16      22      29      37      46
+      56      67      79      92     106       2       3       5       8      12
+      17      23      30      38      47      57      68      80      93     107
+       4       5       6       9      13      18      24      31      39      48
+      58      69      81      94     108       7       8       9      10      14
+      19      25      32      40      49      59      70      82      95     109
+      11      12      13      14      15      20      26      33      41      50
+      60      71      83      96     110      16      17      18      19      20
+      21      27      34      42      51      61      72      84      97     111
+      22      23      24      25      26      27      28      35      43      52
+      62      73      85      98     112      29      30      31      32      33
+      34      35      36      44      53      63      74      86      99     113
+      37      38      39      40      41      42      43      44      45      54
+      64      75      87     100     114      46      47      48      49      50
+      51      52      53      54      55      65      76      88     101     115
+      56      57      58      59      60      61      62      63      64      65
+      66      77      89     102     116      67      68      69      70      71
+      72      73      74      75      76      77      78      90     103     117
+      79      80      81      82      83      84      85      86      87      88
+      89      90      91     104     118      92      93      94      95      96
+      97      98      99     100     101     102     103     104     105     119
+     106     107     108     109     110     111     112     113     114     115
+     116     117     118     119     120
+%FLAG RESIDUE_LABEL                                                             
+%FORMAT(20a4)                                                                   
+ALA LEU SER LEU THR ALA ASP GLN MET VAL SER ALA LEU LEU ASP ALA GLU PRO PRO ILE 
+LEU TYR SER GLU TYR ASP PRO THR ARG PRO PHE SER GLU ALA SER MET MET GLY LEU LEU 
+THR ASN LEU ALA ASP ARG GLU LEU VAL HIE MET ILE ASN TRP ALA LYS ARG VAL PRO GLY 
+PHE VAL ASP LEU THR LEU HIE ASP GLN VAL HIE LEU LEU GLU CYS ALA TRP LEU GLU ILE 
+LEU MET ILE GLY LEU VAL TRP ARG SER MET GLU HIE PRO GLY LYS LEU LEU PHE ALA PRO 
+ASN LEU LEU LEU ASP ARG ASN GLN GLY LYS CYS VAL GLU GLY MET VAL GLU ILE PHE ASP 
+MET LEU LEU ALA THR SER SER ARG PHE ARG MET MET ASN LEU GLN GLY GLU GLU PHE VAL 
+CYS LEU LYS SER ILE ILE LEU LEU ASN SER GLY VAL TYR THR PHE LEU SER SER THR LEU 
+LYS SER LEU GLU GLU LYS ASP HIE ILE HIE ARG VAL LEU ASP LYS ILE THR ASP THR LEU 
+ILE HIE LEU MET ALA LYS ALA GLY LEU THR LEU GLN GLN GLN HIE GLN ARG LEU ALA GLN 
+LEU LEU LEU ILE LEU SER HIE ILE ARG HIE MET SER ASN LYS GLY MET GLU HIE LEU TYR 
+SER MET LYS CYS LYS ASN VAL VAL PRO TYR ASP LEU LEU LEU GLU MET LEU ASP ALA HIE 
+RAL 
+%FLAG RESIDUE_POINTER                                                           
+%FORMAT(10I8)                                                                   
+       1      13      32      43      62      76      86      98     115     132
+     148     159     169     188     207     219     229     244     258     272
+     291     310     331     342     357     378     390     404     418     442
+     456     476     487     502     512     523     540     557     564     583
+     602     616     630     649     659     671     695     710     729     745
+     762     779     798     812     836     846     868     892     908     922
+     929     949     965     977     996    1010    1029    1046    1058    1075
+    1091    1108    1127    1146    1161    1172    1182    1206    1225    1240
+    1259    1278    1295    1314    1321    1340    1356    1380    1404    1415
+    1432    1447    1464    1478    1485    1507    1526    1545    1565    1575
+    1589    1603    1622    1641    1660    1672    1696    1710    1727    1734
+    1756    1767    1783    1798    1805    1822    1838    1853    1872    1892
+    1904    1921    1940    1959    1969    1983    1994    2005    2029    2049
+    2073    2090    2107    2121    2140    2157    2164    2179    2194    2214
+    2230    2241    2260    2282    2293    2312    2331    2350    2369    2383
+    2394    2401    2417    2438    2452    2472    2491    2502    2513    2527
+    2546    2568    2579    2598    2613    2628    2650    2662    2679    2698
+    2715    2739    2755    2774    2786    2808    2827    2841    2853    2867
+    2886    2905    2922    2941    2958    2968    2990    3000    3007    3026
+    3040    3059    3076    3093    3110    3127    3144    3168    3187    3197
+    3214    3233    3252    3271    3290    3309    3320    3337    3356    3380
+    3397    3414    3425    3439    3461    3468    3485    3500    3517    3536
+    3557    3568    3585    3607    3618    3640    3654    3670    3686    3700
+    3721    3733    3752    3771    3790    3805    3822    3841    3853    3863
+    3881
+%FLAG BOND_FORCE_CONSTANT                                                       
+%FORMAT(5E16.8)                                                                 
+  5.70000000E+02  4.90000000E+02  3.40000000E+02  3.40000000E+02  3.10000000E+02
+  3.17000000E+02  4.34000000E+02  3.67000000E+02  3.40000000E+02  4.34000000E+02
+  3.37000000E+02  5.53000000E+02  3.20000000E+02  6.56000000E+02  2.27000000E+02
+  3.67000000E+02  4.69000000E+02  4.50000000E+02  4.69000000E+02  3.17000000E+02
+  4.34000000E+02  4.81000000E+02  3.37000000E+02  3.67000000E+02  4.34000000E+02
+  4.27000000E+02  3.67000000E+02  4.77000000E+02  4.88000000E+02  4.10000000E+02
+  5.18000000E+02  3.17000000E+02  4.69000000E+02  4.69000000E+02  4.47000000E+02
+  4.28000000E+02  5.46000000E+02  3.88000000E+02  3.17000000E+02  2.74000000E+02
+  2.37000000E+02  3.35900000E+02  3.37300000E+02  3.03100000E+02  3.20600000E+02
+  3.01500000E+02  3.72400000E+02  3.44300000E+02  4.78400000E+02  6.48000000E+02
+  3.49700000E+02  3.77400000E+02  4.11700000E+02  3.69600000E+02  3.86100000E+02
+  2.56600000E+02  2.79300000E+02  5.04000000E+02  4.11700000E+02
+%FLAG BOND_EQUIL_VALUE                                                          
+%FORMAT(5E16.8)                                                                 
+  1.22900000E+00  1.33500000E+00  1.09000000E+00  1.09000000E+00  1.52600000E+00
+  1.52200000E+00  1.01000000E+00  1.47100000E+00  1.09000000E+00  1.01000000E+00
+  1.44900000E+00  9.60000000E-01  1.41000000E+00  1.25000000E+00  1.81000000E+00
+  1.08000000E+00  1.40000000E+00  1.36400000E+00  1.40900000E+00  1.51000000E+00
+  1.01000000E+00  1.34000000E+00  1.46300000E+00  1.08000000E+00  1.01000000E+00
+  1.38100000E+00  1.08000000E+00  1.34300000E+00  1.33500000E+00  1.39400000E+00
+  1.37100000E+00  1.50400000E+00  1.40400000E+00  1.40000000E+00  1.41900000E+00
+  1.38000000E+00  1.35200000E+00  1.45900000E+00  1.49500000E+00  1.33600000E+00
+  1.81000000E+00  1.09300000E+00  1.09200000E+00  1.53500000E+00  1.47000000E+00
+  1.43900000E+00  1.37300000E+00  1.08700000E+00  1.38700000E+00  1.21400000E+00
+  1.48700000E+00  1.46200000E+00  1.43400000E+00  9.74000000E-01  1.36200000E+00
+  1.77000000E+00  1.73700000E+00  1.37100000E+00  1.43400000E+00
+%FLAG ANGLE_FORCE_CONSTANT                                                      
+%FORMAT(5E16.8)                                                                 
+  8.00000000E+01  5.00000000E+01  5.00000000E+01  3.50000000E+01  6.30000000E+01
+  5.00000000E+01  5.00000000E+01  5.00000000E+01  8.00000000E+01  7.00000000E+01
+  5.00000000E+01  3.50000000E+01  5.00000000E+01  8.00000000E+01  8.00000000E+01
+  4.00000000E+01  5.00000000E+01  5.00000000E+01  5.00000000E+01  5.00000000E+01
+  8.00000000E+01  6.30000000E+01  5.00000000E+01  3.50000000E+01  5.50000000E+01
+  5.00000000E+01  8.00000000E+01  5.00000000E+01  7.00000000E+01  3.50000000E+01
+  5.00000000E+01  6.20000000E+01  5.00000000E+01  5.00000000E+01  5.00000000E+01
+  7.00000000E+01  5.00000000E+01  5.00000000E+01  6.30000000E+01  6.30000000E+01
+  6.30000000E+01  5.00000000E+01  7.00000000E+01  6.30000000E+01  3.50000000E+01
+  7.00000000E+01  5.00000000E+01  5.00000000E+01  5.00000000E+01  5.00000000E+01
+  8.00000000E+01  5.00000000E+01  5.00000000E+01  5.00000000E+01  5.00000000E+01
+  7.00000000E+01  7.00000000E+01  5.00000000E+01  7.00000000E+01  7.00000000E+01
+  7.00000000E+01  5.00000000E+01  5.00000000E+01  7.00000000E+01  7.00000000E+01
+  6.30000000E+01  5.00000000E+01  6.30000000E+01  6.30000000E+01  5.00000000E+01
+  6.30000000E+01  6.30000000E+01  5.00000000E+01  7.00000000E+01  7.00000000E+01
+  6.30000000E+01  7.00000000E+01  5.00000000E+01  7.00000000E+01  6.30000000E+01
+  6.30000000E+01  5.00000000E+01  7.00000000E+01  7.00000000E+01  6.30000000E+01
+  3.50000000E+01  5.00000000E+01  4.30000000E+01  5.00000000E+01  3.92000000E+01
+  4.64000000E+01  3.94000000E+01  4.64000000E+01  6.32000000E+01  6.40000000E+01
+  4.94000000E+01  6.62000000E+01  5.08000000E+01  6.78000000E+01  6.24000000E+01
+  4.85000000E+01  6.98000000E+01  6.72000000E+01  6.87000000E+01  6.46000000E+01
+  6.89000000E+01  6.48000000E+01  6.36000000E+01  6.60000000E+01  6.98000000E+01
+  4.89000000E+01  6.36000000E+01  6.20000000E+01  6.39000000E+01  6.82000000E+01
+  6.57000000E+01  6.49000000E+01  6.82000000E+01  6.60000000E+01
+%FLAG ANGLE_EQUIL_VALUE                                                         
+%FORMAT(5E16.8)                                                                 
+  2.14501057E+00  2.09439600E+00  2.12755727E+00  1.91113635E+00  1.93906163E+00
+  1.91113635E+00  1.91113635E+00  1.91113635E+00  2.10137732E+00  2.03505478E+00
+  1.91113635E+00  1.91113635E+00  1.91113635E+00  1.94080696E+00  1.94080696E+00
+  1.91113635E+00  1.91113635E+00  1.91113635E+00  2.06018753E+00  1.91113635E+00
+  1.91462701E+00  1.92160833E+00  1.91113635E+00  1.91113635E+00  1.89368305E+00
+  1.91113635E+00  2.19911580E+00  1.91113635E+00  2.04203610E+00  2.09439600E+00
+  1.91113635E+00  1.72613137E+00  2.00189351E+00  2.05948940E+00  2.09439600E+00
+  2.09439600E+00  1.97222290E+00  2.09439600E+00  2.09439600E+00  2.09439600E+00
+  2.09439600E+00  1.91113635E+00  2.09439600E+00  1.98967620E+00  2.09439600E+00
+  2.09439600E+00  2.09439600E+00  1.91113635E+00  2.06647072E+00  2.15024656E+00
+  1.94080696E+00  2.09439600E+00  2.09439600E+00  2.09439600E+00  2.09439600E+00
+  2.09439600E+00  2.09439600E+00  2.09439600E+00  2.09439600E+00  2.04203610E+00
+  2.09439600E+00  2.09439600E+00  1.91113635E+00  2.09439600E+00  2.09439600E+00
+  1.97396823E+00  2.09439600E+00  2.09439600E+00  2.14151991E+00  2.09439600E+00
+  2.09439600E+00  2.02807346E+00  2.14850123E+00  2.31779824E+00  1.82212452E+00
+  1.85703112E+00  1.94778828E+00  2.09439600E+00  1.89717371E+00  1.89891904E+00
+  2.35445017E+00  1.91113635E+00  2.18166250E+00  2.24449438E+00  2.01760148E+00
+  1.91113635E+00  1.91113635E+00  1.67551680E+00  1.89542838E+00  1.91200902E+00
+  1.92073567E+00  1.89106506E+00  1.92108473E+00  1.93085858E+00  1.93557097E+00
+  1.91846674E+00  1.92649525E+00  1.89926811E+00  1.89228679E+00  2.05250808E+00
+  2.09457053E+00  2.08043336E+00  2.09387240E+00  2.15443535E+00  2.09683946E+00
+  2.19405434E+00  1.99124700E+00  2.14588324E+00  2.09614133E+00  2.09334880E+00
+  1.91061275E+00  2.06245646E+00  2.09317427E+00  1.69262103E+00  1.98112408E+00
+  2.09299974E+00  1.93888710E+00  1.98112408E+00  2.09614133E+00
+%FLAG DIHEDRAL_FORCE_CONSTANT                                                   
+%FORMAT(5E16.8)                                                                 
+  2.00000000E+00  2.50000000E+00  0.00000000E+00  2.00000000E+00  4.00000000E-01
+  0.00000000E+00  0.00000000E+00  2.70000000E-01  4.20000000E-01  1.55555556E-01
+  2.00000000E-01  2.00000000E-01  1.60000000E-01  1.50000000E-01  8.00000000E-01
+  8.00000000E-02  2.00000000E-01  2.50000000E-01  1.80000000E-01  4.50000000E-01
+  1.58000000E+00  5.50000000E-01  1.66666667E-01  2.50000000E-01  0.00000000E+00
+  3.33333333E-01  3.62500000E+00  2.30000000E+00  2.40000000E+00  1.50000000E+00
+  2.32500000E+00  5.37500000E+00  5.00000000E+00  3.00000000E+00  3.50000000E+00
+  1.52500000E+00  6.52500000E+00  1.67500000E+00  2.50000000E-01  4.80000000E-01
+  3.00000000E-01  3.83333333E-01  9.00000000E-01  2.87500000E+00  2.55000000E+00
+  1.10000000E+00  4.00000000E+00  4.00000000E-01  1.05000000E+01  1.10000000E+00
+  1.00000000E+00
+%FLAG DIHEDRAL_PERIODICITY                                                      
+%FORMAT(5E16.8)                                                                 
+  1.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  3.00000000E+00
+  4.00000000E+00  1.00000000E+00  2.00000000E+00  3.00000000E+00  3.00000000E+00
+  1.00000000E+00  2.00000000E+00  3.00000000E+00  3.00000000E+00  1.00000000E+00
+  3.00000000E+00  1.00000000E+00  2.00000000E+00  3.00000000E+00  1.00000000E+00
+  2.00000000E+00  3.00000000E+00  3.00000000E+00  1.00000000E+00  3.00000000E+00
+  3.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
+  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
+  2.00000000E+00  2.00000000E+00  2.00000000E+00  3.00000000E+00  2.00000000E+00
+  3.00000000E+00  3.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
+  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
+  2.00000000E+00
+%FLAG DIHEDRAL_PHASE                                                            
+%FORMAT(5E16.8)                                                                 
+  0.00000000E+00  3.14159400E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  3.14159400E+00  3.14159400E+00  3.14159400E+00  0.00000000E+00  3.14159400E+00
+  3.14159400E+00  3.14159400E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00
+  3.14159400E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00
+  3.14159400E+00  3.14159400E+00  3.14159400E+00  0.00000000E+00  3.14159400E+00
+  0.00000000E+00  0.00000000E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00
+  3.14159400E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00
+  3.14159400E+00
+%FLAG SOLTY                                                                     
+%FORMAT(5E16.8)                                                                 
+  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00  0.00000000E+00
+%FLAG LENNARD_JONES_ACOEF                                                       
+%FORMAT(5E16.8)                                                                 
+  9.44293233E+05  2.12601181E+03  1.39982777E-01  9.95480466E+05  2.56678134E+03
+  1.04308023E+06  2.01791425E+04  9.14716912E+00  2.27401052E+04  2.01823541E+02
+  8.96776989E+04  1.07193646E+02  9.71708117E+04  1.41077189E+03  7.51607703E+03
+  8.82619071E+05  2.27577561E+03  9.24822270E+05  2.01619733E+04  8.61541883E+04
+  8.19971662E+05  6.06829342E+05  1.02595236E+03  6.47841731E+05  1.12780457E+04
+  5.44261042E+04  5.74393458E+05  3.79876399E+05  6.20665997E+04  5.94667300E+01
+  6.78771368E+04  8.79040886E+02  4.98586848E+03  6.01816484E+04  3.69471530E+04
+  3.25969625E+03  7.44975864E+05  1.40467023E+03  7.91544157E+05  1.45985502E+04
+  6.82786631E+04  7.01803794E+05  4.71003287E+05  4.66922514E+04  5.81803229E+05
+  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  2.01562190E+06  5.97860700E+03  2.09861767E+06  4.93469320E+04  2.02461849E+05
+  1.86068943E+06  1.32911052E+06  1.42791446E+05  1.61587928E+06  0.00000000E+00
+  4.19430400E+06  7.91627154E+04  8.90987508E+01  8.59947003E+04  1.21014911E+03
+  6.55825601E+03  7.62451550E+04  4.77908183E+04  4.33325458E+03  6.00750218E+04
+  0.00000000E+00  1.79647996E+05  5.71629601E+03  5.46147253E+04  4.90239937E+01
+  5.98885646E+04  7.50063100E+02  4.33325458E+03  5.30987710E+04  3.23283631E+04
+  2.82099197E+03  4.09427581E+04  0.00000000E+00  1.26338489E+05  3.76169105E+03
+  2.43828624E+03  6.58473870E+04  6.63368273E+01  7.18621074E+04  9.55000044E+02
+  5.34045360E+03  6.37148278E+04  3.93690817E+04  3.50301067E+03  4.96707306E+04
+  0.00000000E+00  1.50848032E+05  4.64559155E+03  3.03448006E+03  3.76169105E+03
+  5.89818288E+05  1.03954408E+03  6.28541240E+05  1.11851919E+04  5.33379252E+04
+  5.57281136E+05  3.70622491E+05  3.63097246E+04  4.58874091E+05  0.00000000E+00
+  1.28707992E+06  4.68711055E+04  3.17965283E+04  3.86654993E+04  3.61397723E+05
+%FLAG LENNARD_JONES_BCOEF                                                       
+%FORMAT(5E16.8)                                                                 
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+  1.03022002E+03  9.73010751E+01  8.01410250E+01  8.83744760E+01  4.95732238E+02
+%FLAG BONDS_INC_HYDROGEN                                                        
+%FORMAT(10I8)                                                                   
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+%FLAG BONDS_WITHOUT_HYDROGEN                                                    
+%FORMAT(10I8)                                                                   
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+    9399       5    9384    9390       5    9384    9423       6    9378    9384
+      11    9495    9498       1    9495    9501       2    9474    9477      22
+    9474    9486      22    9468    9474      22    9459    9468      23    9450
+    9459       5    9441    9450       5    9435    9441       5    9435    9495
+       6    9429    9435      11    9552    9555       1    9552    9558       2
+    9522    9528       5    9522    9540       5    9513    9522       5    9507
+    9513       5    9507    9552       6    9501    9507      11    9582    9585
+       1    9582    9588       2    9564    9570       5    9564    9582       6
+    9558    9564      11    9633    9636       1    9633    9639       2    9618
+    9621       1    9618    9624       2    9609    9618       6    9600    9609
+       5    9594    9600       5    9594    9633       6    9588    9594      11
+    9690    9693       1    9690    9696       2    9660    9666       5    9660
+    9678       5    9651    9660       5    9645    9651       5    9645    9690
+       6    9639    9645      11    9747    9750       1    9747    9753       2
+    9717    9723       5    9717    9735       5    9708    9717       5    9702
+    9708       5    9702    9747       6    9696    9702      11    9804    9807
+       1    9804    9810       2    9774    9780       5    9774    9792       5
+    9765    9774       5    9759    9765       5    9759    9804       6    9753
+    9759      11    9861    9864       1    9861    9867       2    9840    9849
+       5    9822    9828       5    9822    9840       5    9816    9822       5
+    9816    9861       6    9810    9816      11    9918    9921       1    9918
+    9924       2    9888    9894       5    9888    9906       5    9879    9888
+       5    9873    9879       5    9873    9918       6    9867    9873      11
+    9951    9954       1    9951    9957       2    9936    9945      13    9930
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+    9981    9984      29    9978    9981      30    9978    9996      31    9969
+    9978      32    9963    9969       5    9963   10002       6    9957    9963
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+   10020   10026       5   10020   10038       5   10014   10020       5   10014
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+   10095   10104      23   10086   10095       5   10077   10086       5   10071
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+   10491   10494       1   10491   10497       2   10482   10485      14   10482
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+   10542   10548       2   10530   10536      26   10524   10530      28   10521
+   10524      29   10518   10521      30   10518   10536      31   10509   10518
+      32   10503   10509       5   10503   10542       6   10497   10503      11
+   10599   10602       1   10599   10605       2   10569   10575       5   10569
+   10587       5   10560   10569       5   10554   10560       5   10554   10599
+       6   10548   10554      11   10662   10665       1   10662   10668       2
+   10650   10656      17   10641   10644      18   10641   10650      19   10635
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+      17   10617   10626      20   10611   10617       5   10611   10662       6
+   10605   10611      11   10695   10698       1   10695   10701       2   10680
+   10689      13   10674   10680       5   10674   10695       6   10668   10674
+      11   10746   10749       1   10746   10752       2   10731   10734      15
+   10722   10731      15   10713   10722       5   10707   10713       5   10707
+   10746       6   10701   10707      11   10812   10815       1   10812   10818
+       2   10791   10800       8   10782   10791       5   10773   10782       5
+   10764   10773       5   10758   10764       5   10758   10812       6   10752
+   10758      11   10845   10848       1   10845   10851       2   10830   10839
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+   10911   10914       1   10911   10917       2   10890   10899       8   10881
+   10890       5   10872   10881       5   10863   10872       5   10857   10863
+       5   10857   10911       6   10851   10857      11   10953   10956       1
+   10953   10959       2   10938   10941       1   10938   10944       2   10929
+   10938       6   10923   10929       5   10923   10953       6   10917   10923
+      11   11001   11004       1   11001   11007       2   10971   10977       5
+   10971   10989       5   10965   10971       5   10965   11001       6   10959
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+       5   11019   11037       5   11013   11019       5   11013   11049       6
+   11007   11013      11   11091   11094       1   11091   11097       2   11085
+   11091       6   11076   11085       5   11067   11076       5   11058   11067
+       5   11055   11058      11   11055   11085      11   11154   11157       1
+   11154   11160       2   11142   11148      17   11133   11136      18   11133
+   11142      19   11127   11133      19   11121   11127      17   11118   11121
+      17   11118   11148      17   11109   11118      20   11103   11109       5
+   11103   11154       6   11097   11103      11   11190   11193       1   11190
+   11196       2   11181   11184      14   11181   11187      14   11172   11181
+       6   11166   11172       5   11166   11190       6   11160   11166      11
+   11247   11250       1   11247   11253       2   11217   11223       5   11217
+   11235       5   11208   11217       5   11202   11208       5   11202   11247
+       6   11196   11202      11   11304   11307       1   11304   11310       2
+   11274   11280       5   11274   11292       5   11265   11274       5   11259
+   11265       5   11259   11304       6   11253   11259      11   11361   11364
+       1   11361   11367       2   11331   11337       5   11331   11349       5
+   11322   11331       5   11316   11322       5   11316   11361       6   11310
+   11316      11   11406   11409       1   11406   11412       2   11397   11400
+      14   11397   11403      14   11388   11397       6   11379   11388       5
+   11373   11379       5   11373   11406       6   11367   11373      11   11457
+   11460       1   11457   11463       2   11442   11445      15   11433   11442
+      15   11424   11433       5   11418   11424       5   11418   11457       6
+   11412   11418      11   11514   11517       1   11514   11520       2   11484
+   11490       5   11484   11502       5   11475   11484       5   11469   11475
+       5   11469   11514       6   11463   11469      11   11550   11553       1
+   11550   11556       2   11541   11544      14   11541   11547      14   11532
+   11541       6   11526   11532       5   11526   11550       6   11520   11526
+      11   11580   11583       1   11580   11586       2   11562   11568       5
+   11562   11580       6   11556   11562      11   11631   11634      14   11631
+   11637      14   11619   11625      26   11613   11619      28   11610   11613
+      29   11607   11610      30   11607   11625      31   11598   11607      32
+   11592   11598       5   11592   11631       6   11586   11592      11   11805
+   11814      44   11796   11805      44   11787   11796      44   11778   11787
+      44   11775   11778      45   11775   11814      45   11766   11775      45
+   11757   11766      44   11754   11757      46   11751   11754      47   11745
+   11751      49   11739   11745      49   11730   11751      49   11727   11730
+      49   11724   11727      49   11724   11739      49   11718   11721      50
+   11718   11724      51   11715   11718      52   11712   11715      53   11706
+   11712      49   11700   11706      49   11691   11694      55   11691   11700
+      49   11685   11691      49   11682   11685      49   11682   11712      49
+   11679   11682      56   11676   11679      57   11676   11715      58   11673
+   11676      59   11667   11673      49   11661   11667      49   11652   11673
+      49   11649   11652      49   11646   11649      49   11646   11661      49
+   11640   11646      55
+%FLAG ANGLES_INC_HYDROGEN                                                       
+%FORMAT(10I8)                                                                   
+      30      36      39       2      24      18      27       4      21      18
+      24       4      21      18      27       4      15      12      18       6
+      15      12      30       7      12      18      21       8      12      18
+      24       8      12      18      27       8       9       0      12      11
+       6       0       9      12       6       0      12      11       3       0
+       6      12       3       0       9      12       3       0      12      11
+       0      12      15      13      87      93      96       2      81      75
+      84       4      78      75      81       4      78      75      84       4
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+      72       4      60      57      63       8      60      57      75       8
+      57      63      66       8      57      63      69       8      57      63
+      72       8      57      75      78       8      57      75      81       8
+      57      75      84       8      54      48      57       8      51      48
+      54       4      51      48      57       8      48      57      60       8
+      45      42      48      17      45      42      87      18      42      48
+      51       8      42      48      54       8      39      36      42      19
+      36      42      45      20     120     126     129       2     111     105
+     114      23     108     105     111      24     108     105     114      23
+     105     114     117      25     102      99     105      17     102      99
+     120      18      99     105     108      17      99     105     111      17
+      96      93      99      19      93      99     102      20     177     183
+     186       2     171     165     174       4     168     165     171       4
+     168     165     174       4     159     153     162       4     156     153
+     159       4     156     153     162       4     150     147     153       8
+     150     147     165       8     147     153     156       8     147     153
+     159       8     147     153     162       8     147     165     168       8
+     147     165     171       8     147     165     174       8     144     138
+     147       8     141     138     144       4     141     138     147       8
+     138     147     150       8     135     132     138      17     135     132
+     177      18     132     138     141       8     132     138     144       8
+     129     126     132      19     126     132     135      20     219     225
+     228       2     207     201     210       4     204     201     207       4
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+     195     201     210       8     195     213     216      25     192     189
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+     186     183     189      19     183     189     192      20     249     255
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+     231     237     246       8     228     225     231      19     225     231
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+     270     267     273       4     270     267     276      28     264     261
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+     261     267     273       8     258     255     261      19     255     261
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+     321     327     330       2     321     327     333       2     318     312
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+     312       8     303     312     315       8     303     312     318       8
+     300     297     303      17     300     297     336      18     297     303
+     306       8     297     303     309       8     294     291     297      19
+     291     297     300      20     387     393     396       2     381     375
+     384      24     378     375     381      24     378     375     384      24
+     372     375     378      31     372     375     381      31     372     375
+     384      31     369     363     372      31     366     363     369      24
+     366     363     372      31     360     354     363       8     357     354
+     360       4     357     354     363       8     354     363     366      17
+     354     363     369      17     351     348     354      17     351     348
+     387      18     348     354     357       8     348     354     360       8
+     345     342     348      19     342     348     351      20     435     441
+     444       2     429     423     432       4     426     423     429       4
+     426     423     432       4     417     411     420       4     414     411
+     417       4     414     411     420       4     408     405     411       8
+     408     405     423       8     405     411     414       8     405     411
+     417       8     405     411     420       8     405     423     426       8
+     405     423     429       8     405     423     432       8     402     399
+     405      17     402     399     435      18     399     405     408       8
+     396     393     399      19     393     399     402      20     468     474
+     477       2     459     453     462      23     456     453     459      24
+     456     453     462      23     453     462     465      25     450     447
+     453      17     450     447     468      18     447     453     456      17
+     447     453     459      17     444     441     447      19     441     447
+     450      20     498     504     507       2     492     486     495       4
+     489     486     492       4     489     486     495       4     483     480
+     486      17     483     480     498      18     480     486     489       8
+     480     486     492       8     480     486     495       8     477     474
+     480      19     474     480     483      20     555     561     564       2
+     549     543     552       4     546     543     549       4     546     543
+     552       4     537     531     540       4     534     531     537       4
+     534     531     540       4     528     525     531       8     528     525
+     543       8     525     531     534       8     525     531     537       8
+     525     531     540       8     525     543     546       8     525     543
+     549       8     525     543     552       8     522     516     525       8
+     519     516     522       4     519     516     525       8     516     525
+     528       8     513     510     516      17     513     510     555      18
+     510     516     519       8     510     516     522       8     507     504
+     510      19     504     510     513      20     612     618     621       2
+     606     600     609       4     603     600     606       4     603     600
+     609       4     594     588     597       4     591     588     594       4
+     591     588     597       4     585     582     588       8     585     582
+     600       8     582     588     591       8     582     588     594       8
+     582     588     597       8     582     600     603       8     582     600
+     606       8     582     600     609       8     579     573     582       8
+     576     573     579       4     576     573     582       8     573     582
+     585       8     570     567     573      17     570     567     612      18
+     567     573     576       8     567     573     579       8     564     561
+     567      19     561     567     570      20     648     654     657       2
+     636     630     639      28     633     630     636       4     633     630
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+     624     630     633       8     624     630     636       8     621     618
+     624      19     618     624     627      20     678     684     687       2
+     672     666     675       4     669     666     672       4     669     666
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+     660     666     669       8     660     666     672       8     660     666
+     675       8     657     654     660      19     654     660     663      20
+     711     705     714      28     708     705     711       4     708     705
+     714      28     702     696     705       8     699     696     702       4
+     699     696     705       8     696     705     708       8     696     705
+     711       8     693     690     696      17     693     690     723      18
+     690     696     699       8     690     696     702       8     687     684
+     690      19     684     690     693      20     762     759     765      18
+     756     750     759       8     753     750     756       4     753     750
+     759       8     750     759     762      17     747     741     750       8
+     744     741     747       4     744     741     750       8     741     750
+     753       8     741     750     756       8     738     732     741      17
+     735     732     738      24     735     732     741      17     732     741
+     744       8     732     741     747       8     729     732     735      20
+     729     732     738      20     729     759     762      20     807     813
+     816       2     804     801     807      18     798     792     801       8
+     795     792     798       4     795     792     801       8     792     801
+     804      17     789     783     792       8     786     783     789       4
+     786     783     792       8     783     792     795       8     783     792
+     798       8     780     774     783      17     777     774     780      24
+     777     774     783      17     774     783     786       8     774     783
+     789       8     771     774     777      20     771     774     780      20
+     771     801     804      20     864     870     873       2     858     852
+     861       4     855     852     858       4     855     852     861       4
+     849     843     852       8     846     843     849       4     846     843
+     852       8     843     852     855       8     843     852     858       8
+     843     852     861       8     837     831     840       4     834     831
+     837       4     834     831     840       4     828     825     831       8
+     828     825     843       8     825     831     834       8     825     831
+     837       8     825     831     840       8     825     843     846       8
+     825     843     849       8     822     819     825      17     822     819
+     864      18     819     825     828       8     816     813     819      19
+     813     819     822      20     921     927     930       2     915     909
+     918       4     912     909     915       4     912     909     918       4
+     903     897     906       4     900     897     903       4     900     897
+     906       4     894     891     897       8     894     891     909       8
+     891     897     900       8     891     897     903       8     891     897
+     906       8     891     909     912       8     891     909     915       8
+     891     909     918       8     888     882     891       8     885     882
+     888       4     885     882     891       8     882     891     894       8
+     879     876     882      17     879     876     921      18     876     882
+     885       8     876     882     888       8     873     870     876      19
+     870     876     879      20     984     990     993       2     975     972
+     978      35     972     978     981      35     963     966     969      37
+     963     972     975      38     960     957     963      38     954     951
+     957      35     951     957     960      35     948     951     954      35
+     948     978     981      35     945     939     948      42     942     939
+     945       4     942     939     948      42     936     933     939      17
+     936     933     984      18     933     939     942       8     933     939
+     945       8     930     927     933      19     927     933     936      20
+    1017    1023    1026       2    1008    1002    1011      23    1005    1002
+    1008      24    1005    1002    1011      23    1002    1011    1014      25
+     999     996    1002      17     999     996    1017      18     996    1002
+    1005      17     996    1002    1008      17     993     990     996      19
+     990     996     999      20    1062    1068    1071       2    1050    1044
+    1053      28    1047    1044    1050       4    1047    1044    1053      28
+    1041    1035    1044       8    1038    1035    1041       4    1038    1035
+    1044       8    1035    1044    1047       8    1035    1044    1050       8
+    1032    1029    1035      17    1032    1029    1062      18    1029    1035
+    1038       8    1029    1035    1041       8    1026    1023    1029      19
+    1023    1029    1032      20    1125    1131    1134       2    1116    1113
+    1119      35    1113    1119    1122      35    1104    1107    1110      37
+    1104    1113    1116      38    1101    1098    1104      38    1095    1092
+    1098      35    1092    1098    1101      35    1089    1092    1095      35
+    1089    1119    1122      35    1086    1080    1089      42    1083    1080
+    1086       4    1083    1080    1089      42    1077    1074    1080      17
+    1077    1074    1125      18    1074    1080    1083       8    1074    1080
+    1086       8    1071    1068    1074      19    1068    1074    1077      20
+    1149    1143    1152      28    1146    1143    1149       4    1146    1143
+    1152      28    1140    1137    1143      17    1140    1137    1161      18
+    1137    1143    1146       8    1137    1143    1149       8    1134    1131
+    1137      19    1131    1137    1140      20    1203    1209    1212       2
+    1200    1197    1203      18    1194    1188    1197       8    1191    1188
+    1194       4    1191    1188    1197       8    1188    1197    1200      17
+    1185    1179    1188       8    1182    1179    1185       4    1182    1179
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+%FLAG ANGLES_WITHOUT_HYDROGEN                                                   
+%FORMAT(10I8)                                                                   
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+%FLAG DIHEDRALS_INC_HYDROGEN                                                    
+%FORMAT(10I8)                                                                   
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+%FLAG DIHEDRALS_WITHOUT_HYDROGEN                                                
+%FORMAT(10I8)                                                                   
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+%FLAG EXCLUDED_ATOMS_LIST                                                       
+%FORMAT(10I8)                                                                   
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+%FLAG HBOND_ACOEF                                                               
+%FORMAT(5E16.8)                                                                 
+
+%FLAG HBOND_BCOEF                                                               
+%FORMAT(5E16.8)                                                                 
+
+%FLAG HBCUT                                                                     
+%FORMAT(5E16.8)                                                                 
+
+%FLAG AMBER_ATOM_TYPE                                                           
+%FORMAT(20a4)                                                                   
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+%FLAG TREE_CHAIN_CLASSIFICATION                                                 
+%FORMAT(20a4)                                                                   
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+E   M   E   3   E   E   B   E   B   E   E   M   E   M   E   M   E   3   E   3   
+E   E   E   3   E   E   E   M   E   M   E   M   E   3   E   3   E   E   E   3   
+E   E   E   M   E   M   3   E   E   3   E   E   B   E   E   M   E   M   E   M   
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+M   E   M   E   3   E   E   B   E   E   M   E   M   E   M   E   3   E   E   E   
+M   E   BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA 
+M   E   M   M   M   E   E   B   E   S   E   M   M   S   B   S   E   S   S   E   
+B   E   B   E   S   M   M   E   M   B   S   E   E   M   E   M   E   M   M   M   
+E   E   M   E   E   M   3   E   E   3   E   E   3   E   E   B   E   E   M   E   
+E   
+%FLAG JOIN_ARRAY                                                                
+%FORMAT(10I8)                                                                   
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+%FLAG IROTAT                                                                    
+%FORMAT(10I8)                                                                   
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+%FLAG RADIUS_SET                                                                
+%FORMAT(1a80)                                                                   
+H(N)-modified Bondi radii (mbondi2)                                             
+%FLAG RADII                                                                     
+%FORMAT(5E16.8)                                                                 
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+%FLAG SCREEN                                                                    
+%FORMAT(5E16.8)                                                                 
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+  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01
+  7.90000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01
+  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01
+  7.20000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
+  8.50000000E-01
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/ligand.prmtop	Tue Nov 30 10:00:44 2021 +0000
@@ -0,0 +1,454 @@
+%VERSION  VERSION_STAMP = V0001.000  DATE = 10/09/09  16:30:00                  
+%FLAG TITLE                                                                     
+%FORMAT(20a4)                                                                   
+                                                                                
+%FLAG POINTERS                                                                  
+%FORMAT(10I8)                                                                   
+      61      11      27      38      59      53     108      91       0       0
+     329       1      38      53      91      18      30      19      14       0
+       0       0       0       0       0       0       0       0      61       0
+       0
+%FLAG ATOM_NAME                                                                 
+%FORMAT(20a4)                                                                   
+O11 H7  C11 C12 C13 H9  H8  C10 H6  C9  H5  C8  C7  S6  C5  C4  H4  C3  O3  H3  
+C2  H2  C1  H1  C14 C15 C16 O16 C17 C22 C21 H12 H13 C18 H10 C19 H11 C20 O23 C24 
+H14 H15 C25 H16 H17 N26 C27 H18 H19 C28 H20 H21 C29 H22 H23 C30 H24 H25 C31 H26 
+H27 
+%FLAG CHARGE                                                                    
+%FORMAT(5E16.8)                                                                 
+ -9.01274958E+00  7.67158830E+00  2.44725489E+00 -3.86312760E+00 -1.24093863E+00
+  2.64405573E+00  2.50374402E+00 -2.84450103E+00  2.80076751E+00 -1.48329522E+00
+  2.58938883E+00 -1.16622720E+00 -4.42619667E+00  5.00931027E+00 -7.96314510E-01
+ -3.48957045E+00  2.56023315E+00  2.52561078E+00 -9.00728289E+00  7.66247715E+00
+ -2.73881169E+00  2.81716758E+00 -1.05142671E+00  2.68414479E+00 -1.46142846E+00
+ -2.43996597E+00  1.08240462E+01 -9.42639579E+00 -4.00708377E+00 -9.62137440E-01
+ -3.25632501E+00  2.79894528E+00  2.72423385E+00 -6.70580640E-01  2.86090110E+00
+ -4.11459534E+00  2.62218897E+00  2.91556800E+00 -6.04798137E+00  2.25227628E+00
+  7.61692140E-01  1.15347159E+00  3.11419107E+00  6.65113950E-01  1.03867110E+00
+ -1.33769904E+01  3.13970229E+00  2.05911990E-01  8.18181270E-01 -1.39400595E+00
+  7.61692140E-01  9.38448450E-01 -1.42862832E+00  6.86980710E-01  7.67158830E-01
+ -1.40676156E+00  7.92670050E-01  9.25692840E-01  3.03947964E+00  1.12249368E+00
+  2.75156730E-01
+%FLAG MASS                                                                      
+%FORMAT(5E16.8)                                                                 
+  1.60000000E+01  1.00800000E+00  1.20100000E+01  1.20100000E+01  1.20100000E+01
+  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.20100000E+01
+  1.00800000E+00  1.20100000E+01  1.20100000E+01  3.20600000E+01  1.20100000E+01
+  1.20100000E+01  1.00800000E+00  1.20100000E+01  1.60000000E+01  1.00800000E+00
+  1.20100000E+01  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.20100000E+01
+  1.20100000E+01  1.20100000E+01  1.60000000E+01  1.20100000E+01  1.20100000E+01
+  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.00800000E+00
+  1.20100000E+01  1.00800000E+00  1.20100000E+01  1.60000000E+01  1.20100000E+01
+  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00
+  1.40100000E+01  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.20100000E+01
+  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.00800000E+00  1.00800000E+00
+  1.20100000E+01  1.00800000E+00  1.00800000E+00  1.20100000E+01  1.00800000E+00
+  1.00800000E+00
+%FLAG ATOM_TYPE_INDEX                                                           
+%FORMAT(10I8)                                                                   
+       1       2       3       3       3       4       4       3       4       3
+       4       3       3       5       3       3       4       3       1       2
+       3       4       3       4       3       3       3       6       3       3
+       3       4       4       3       4       3       4       3       7       8
+       9       9       8       9       9      10       8       9       9       8
+      11      11       8      11      11       8      11      11       8       9
+       9
+%FLAG NUMBER_EXCLUDED_ATOMS                                                     
+%FORMAT(10I8)                                                                   
+       8       3       9       8       9       4       2       5       3       5
+       2       6       9       8      10       9       4       7       4       1
+       5       3       4       2       4       5       8       3       9       8
+       8       4       2       5       3       4       2       5       7       8
+       5       4      11       4       3      13      12       6       5       9
+       5       4       8       5       4       5       4       3       2       1
+       1
+%FLAG NONBONDED_PARM_INDEX                                                      
+%FORMAT(10I8)                                                                   
+       1       2       4       7      11      16      22      29      37      46
+      56       2       3       5       8      12      17      23      30      38
+      47      57       4       5       6       9      13      18      24      31
+      39      48      58       7       8       9      10      14      19      25
+      32      40      49      59      11      12      13      14      15      20
+      26      33      41      50      60      16      17      18      19      20
+      21      27      34      42      51      61      22      23      24      25
+      26      27      28      35      43      52      62      29      30      31
+      32      33      34      35      36      44      53      63      37      38
+      39      40      41      42      43      44      45      54      64      46
+      47      48      49      50      51      52      53      54      55      65
+      56      57      58      59      60      61      62      63      64      65
+      66
+%FLAG RESIDUE_LABEL                                                             
+%FORMAT(20a4)                                                                   
+RAL 
+%FLAG RESIDUE_POINTER                                                           
+%FORMAT(10I8)                                                                   
+       1
+%FLAG BOND_FORCE_CONSTANT                                                       
+%FORMAT(5E16.8)                                                                 
+  3.35900000E+02  3.37300000E+02  3.03100000E+02  3.20600000E+02  3.01500000E+02
+  3.72400000E+02  3.44300000E+02  4.78400000E+02  6.48000000E+02  3.49700000E+02
+  3.77400000E+02  4.11700000E+02  3.69600000E+02  3.86100000E+02  2.56600000E+02
+  2.79300000E+02  5.04000000E+02  4.11700000E+02
+%FLAG BOND_EQUIL_VALUE                                                          
+%FORMAT(5E16.8)                                                                 
+  1.09300000E+00  1.09200000E+00  1.53500000E+00  1.47000000E+00  1.43900000E+00
+  1.37300000E+00  1.08700000E+00  1.38700000E+00  1.21400000E+00  1.48700000E+00
+  1.46200000E+00  1.43400000E+00  9.74000000E-01  1.36200000E+00  1.77000000E+00
+  1.73700000E+00  1.37100000E+00  1.43400000E+00
+%FLAG ANGLE_FORCE_CONSTANT                                                      
+%FORMAT(5E16.8)                                                                 
+  3.92000000E+01  4.64000000E+01  3.94000000E+01  4.64000000E+01  6.32000000E+01
+  6.40000000E+01  4.94000000E+01  6.62000000E+01  5.08000000E+01  6.78000000E+01
+  6.24000000E+01  4.85000000E+01  6.98000000E+01  6.72000000E+01  6.87000000E+01
+  6.46000000E+01  6.89000000E+01  6.48000000E+01  6.36000000E+01  6.60000000E+01
+  6.98000000E+01  4.89000000E+01  6.36000000E+01  6.20000000E+01  6.39000000E+01
+  6.82000000E+01  6.57000000E+01  6.49000000E+01  6.82000000E+01  6.60000000E+01
+%FLAG ANGLE_EQUIL_VALUE                                                         
+%FORMAT(5E16.8)                                                                 
+  1.91200902E+00  1.92073567E+00  1.89106506E+00  1.92108473E+00  1.93085858E+00
+  1.93557097E+00  1.91846674E+00  1.92649525E+00  1.89926811E+00  1.89228679E+00
+  2.05250808E+00  2.09457053E+00  2.08043336E+00  2.09387240E+00  2.15443535E+00
+  2.09683946E+00  2.19405434E+00  1.99124700E+00  2.14588324E+00  2.09614133E+00
+  2.09334880E+00  1.91061275E+00  2.06245646E+00  2.09317427E+00  1.69262103E+00
+  1.98112408E+00  2.09299974E+00  1.93888710E+00  1.98112408E+00  2.09614133E+00
+%FLAG DIHEDRAL_FORCE_CONSTANT                                                   
+%FORMAT(5E16.8)                                                                 
+  1.55555556E-01  1.50000000E-01  1.60000000E-01  4.80000000E-01  3.00000000E-01
+  2.00000000E-01  2.50000000E-01  1.80000000E-01  2.50000000E-01  3.83333333E-01
+  3.62500000E+00  9.00000000E-01  2.87500000E+00  2.55000000E+00  1.10000000E+00
+  4.00000000E+00  4.00000000E-01  1.10000000E+00  1.05000000E+01
+%FLAG DIHEDRAL_PERIODICITY                                                      
+%FORMAT(5E16.8)                                                                 
+  3.00000000E+00  3.00000000E+00  3.00000000E+00  2.00000000E+00  3.00000000E+00
+  1.00000000E+00  2.00000000E+00  3.00000000E+00  1.00000000E+00  3.00000000E+00
+  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
+  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
+%FLAG DIHEDRAL_PHASE                                                            
+%FORMAT(5E16.8)                                                                 
+  0.00000000E+00  0.00000000E+00  0.00000000E+00  3.14159400E+00  0.00000000E+00
+  3.14159400E+00  3.14159400E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  3.14159400E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00
+  3.14159400E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00
+%FLAG SOLTY                                                                     
+%FORMAT(5E16.8)                                                                 
+  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
+%FLAG LENNARD_JONES_ACOEF                                                       
+%FORMAT(5E16.8)                                                                 
+  5.81803229E+05  0.00000000E+00  0.00000000E+00  7.01803794E+05  0.00000000E+00
+  8.19971662E+05  6.00750218E+04  0.00000000E+00  7.62451550E+04  5.71629601E+03
+  1.61587928E+06  0.00000000E+00  1.86068943E+06  1.79647996E+05  4.19430400E+06
+  4.71003287E+05  0.00000000E+00  5.74393458E+05  4.77908183E+04  1.32911052E+06
+  3.79876399E+05  4.58874091E+05  0.00000000E+00  5.57281136E+05  4.68711055E+04
+  1.28707992E+06  3.70622491E+05  3.61397723E+05  7.91544157E+05  0.00000000E+00
+  9.24822270E+05  8.59947003E+04  2.09861767E+06  6.47841731E+05  6.28541240E+05
+  1.04308023E+06  4.66922514E+04  0.00000000E+00  6.01816484E+04  4.33325458E+03
+  1.42791446E+05  3.69471530E+04  3.63097246E+04  6.78771368E+04  3.25969625E+03
+  7.44975864E+05  0.00000000E+00  8.82619071E+05  7.91627154E+04  2.01562190E+06
+  6.06829342E+05  5.89818288E+05  9.95480466E+05  6.20665997E+04  9.44293233E+05
+  6.82786631E+04  0.00000000E+00  8.61541883E+04  6.55825601E+03  2.02461849E+05
+  5.44261042E+04  5.33379252E+04  9.71708117E+04  4.98586848E+03  8.96776989E+04
+  7.51607703E+03
+%FLAG LENNARD_JONES_BCOEF                                                       
+%FORMAT(5E16.8)                                                                 
+  6.99746810E+02  0.00000000E+00  0.00000000E+00  6.14502845E+02  0.00000000E+00
+  5.31102864E+02  1.16187983E+02  0.00000000E+00  1.04660679E+02  1.85196588E+01
+  1.21753341E+03  0.00000000E+00  1.04466382E+03  2.09772716E+02  2.04800000E+03
+  6.29300710E+02  0.00000000E+00  5.55666448E+02  1.03580945E+02  1.10369829E+03
+  5.64885984E+02  5.89183300E+02  0.00000000E+00  5.19163331E+02  9.73010751E+01
+  1.03022002E+03  5.29252520E+02  4.95732238E+02  6.93079947E+02  0.00000000E+00
+  5.99015525E+02  1.18043746E+02  1.17824605E+03  6.26720080E+02  5.85549272E+02
+  6.75612247E+02  1.03606917E+02  0.00000000E+00  9.40505980E+01  1.63092814E+01
+  1.89165096E+02  9.21192136E+01  8.66220817E+01  1.06076943E+02  1.43076527E+01
+  7.50714425E+02  0.00000000E+00  6.53361429E+02  1.26451907E+02  1.28923404E+03
+  6.77220874E+02  6.33305958E+02  7.36907417E+02  1.13252061E+02  8.01323529E+02
+  1.25287818E+02  0.00000000E+00  1.12529845E+02  2.00642027E+01  2.25248294E+02
+  1.11805549E+02  1.04986921E+02  1.26919150E+02  1.76949863E+01  1.36131731E+02
+  2.17257828E+01
+%FLAG BONDS_INC_HYDROGEN                                                        
+%FORMAT(10I8)                                                                   
+     174     177       1     174     180       1     165     168       2     165
+     171       2     156     159       2     156     162       2     147     150
+       2     147     153       2     138     141       1     138     144       1
+     126     129       1     126     132       1     117     120       1     117
+     123       1     105     108       7      99     102       7      90      93
+       7      87      96       7      66      69       7      60      63       7
+      54      57      13      45      48       7      27      30       7      21
+      24       7      12      15       7       9      18       7       0       3
+      13
+%FLAG BONDS_WITHOUT_HYDROGEN                                                    
+%FORMAT(10I8)                                                                   
+     165     174       3     156     165       3     147     156       3     138
+     147       3     135     138       4     135     174       4     126     135
+       4     117     126       3     114     117       5     111     114       6
+     105     111       8      99     105       8      90     111       8      87
+      90       8      84      87       8      84      99       8      78      81
+       9      78      84      10      75      78      11      72      75      12
+      66      72       8      60      66       8      51      54      14      51
+      60       8      45      51       8      42      45       8      42      72
+       8      39      42      15      36      39      16      36      75      17
+      33      36      18      27      33       8      21      27       8      12
+      33       8       9      12       8       6       9       8       6      21
+       8       0       6      14
+%FLAG ANGLES_INC_HYDROGEN                                                       
+%FORMAT(10I8)                                                                   
+     177     174     180       1     171     165     174       2     168     165
+     171       3     168     165     174       2     165     174     177       4
+     165     174     180       4     162     156     165       2     159     156
+     162       3     159     156     165       2     156     165     168       2
+     156     165     171       2     153     147     156       2     150     147
+     153       3     150     147     156       2     147     156     159       2
+     147     156     162       2     144     138     147       4     141     138
+     144       1     141     138     147       4     138     147     150       2
+     138     147     153       2     135     138     141       7     135     138
+     144       7     135     174     177       7     135     174     180       7
+     132     126     135       7     129     126     132       1     129     126
+     135       7     123     117     126       4     120     117     123       1
+     120     117     126       4     117     126     129       4     117     126
+     132       4     114     117     120       9     114     117     123       9
+     108     105     111      12     102      99     105      12      99     105
+     108      12      93      90     111      12      90      87      96      12
+      87      90      93      12      84      87      96      12      84      99
+     102      12      69      66      72      12      63      60      66      12
+      60      66      69      12      51      54      57      22      51      60
+      63      12      48      45      51      12      42      45      48      12
+      30      27      33      12      24      21      27      12      21      27
+      30      12      15      12      33      12      12       9      18      12
+       9      12      15      12       6       9      18      12       6      21
+      24      12       3       0       6      22
+%FLAG ANGLES_WITHOUT_HYDROGEN                                                   
+%FORMAT(10I8)                                                                   
+     156     165     174       5     147     156     165       5     138     135
+     174       6     138     147     156       5     135     138     147       8
+     135     174     165       8     126     135     138       6     126     135
+     174       6     117     126     135       8     114     117     126      10
+     111     114     117      11     105     111     114      13      99     105
+     111      14      90     111     105      14      90     111     114      13
+      87      84      99      14      87      90     111      14      84      87
+      90      14      84      99     105      14      81      78      84      15
+      78      84      87      16      78      84      99      16      75      78
+      81      17      75      78      84      18      72      75      78      19
+      66      72      75      20      60      66      72      14      54      51
+      60      21      51      60      66      14      45      42      72      14
+      45      51      54      21      45      51      60      14      42      45
+      51      14      42      72      66      14      42      72      75      20
+      39      36      75      23      39      42      45      24      39      42
+      72      24      36      39      42      25      36      75      72      26
+      36      75      78      27      33      36      39      28      33      36
+      75      29      27      33      36      30      21      27      33      14
+      12      33      27      14      12      33      36      30       9       6
+      21      14       9      12      33      14       6       9      12      14
+       6      21      27      14       0       6       9      21       0       6
+      21      21
+%FLAG DIHEDRALS_INC_HYDROGEN                                                    
+%FORMAT(10I8)                                                                   
+     171     165     174     177       1     171     165     174     180       1
+     168     165     174     177       1     168     165     174     180       1
+     162     156     165     168       2     162     156     165     171       2
+     162     156     165     174       3     159     156     165     168       2
+     159     156     165     171       2     159     156     165     174       3
+     156     165     174     177       1     156     165     174     180       1
+     153     147     156     159       2     153     147     156     162       2
+     153     147     156     165       3     150     147     156     159       2
+     150     147     156     162       2     150     147     156     165       3
+     147     156     165     168       3     147     156     165     171       3
+     144     138     135     174       5     144     138     147     150       1
+     144     138     147     153       1     144     138     147     156       1
+     141     138     135     174       5     141     138     147     150       1
+     141     138     147     153       1     141     138     147     156       1
+     138     135     174     177       5     138     135     174     180       5
+     138     147     156     159       3     138     147     156     162       3
+     135     138     147     150       1     135     138     147     153       1
+     135     174     165     168       1     135     174     165     171       1
+     132     126     135     138       5     132     126     135     174       5
+     129     126     135     138       5     129     126     135     174       5
+     126     135     138     141       5     126     135     138     144       5
+     126     135     174     177       5     126     135     174     180       5
+     123     117     126     129       1     123     117     126     132       1
+     123     117     126     135       1     120     117     126     129       1
+     120     117     126     132       1     120     117     126     135       1
+     114     117     126     129       9     114     117     126     132       9
+     111     114     117     120      10     111     114     117     123      10
+     108     105     111     114      11     102      99     105     108      11
+     102      99     105     111      11      96      87      84      99      11
+      96      87      90     111      11      93      90      87      96      11
+      93      90     111     105      11      93      90     111     114      11
+      90     111     105     108      11      87      84      99     102      11
+      84      87      90      93      11      84      99     105     108      11
+      78      84      87      96      11      78      84      99     102      11
+      69      66      72      75      11      63      60      66      69      11
+      63      60      66      72      11      57      54      51      60      12
+      54      51      60      63      11      51      60      66      69      11
+      48      45      42      72      11      48      45      51      54      11
+      48      45      51      60      11      45      51      54      57      12
+      45      51      60      63      11      42      72      66      69      11
+      39      42      45      48      11      30      27      33      36      11
+      24      21      27      30      11      24      21      27      33      11
+      18       9       6      21      11      18       9      12      33      11
+      15      12       9      18      11      15      12      33      27      11
+      15      12      33      36      11      12      33      27      30      11
+       9       6      21      24      11       6       9      12      15      11
+       6      21      27      30      11       3       0       6       9      12
+       3       0       6      21      12       0       6       9      18      11
+       0       6      21      24      11      99     111    -105    -108      18
+      84     105     -99    -102      18      87     111     -90     -93      18
+      84      90     -87     -96      18      60      72     -66     -69      18
+      51      66     -60     -63      18      42      51     -45     -48      18
+      21      33     -27     -30      18       6      27     -21     -24      18
+       9      33     -12     -15      18       6      12      -9     -18      18
+%FLAG DIHEDRALS_WITHOUT_HYDROGEN                                                
+%FORMAT(10I8)                                                                   
+     147     138     135     174       4     147     138    -135     174       5
+     147     156    -165     174       6     147     156    -165     174       7
+     147     156    -165     174       8     138     135     174     165       4
+     138     135    -174     165       5     138     147    -156     165       6
+     138     147    -156     165       7     138     147    -156     165       8
+     135     138     147     156       1     135     174    -165     156       1
+     126     135     138     147       4     126     135    -138     147       5
+     126     135     174     165       4     126     135    -174     165       5
+     117     126     135     138       4     117     126    -135     138       5
+     117     126     135     174       4     117     126    -135     174       5
+     114     117     126     135       1     111     114     117     126      10
+     105     111     114     117      12      99     105     111     114      11
+      90      87      84      99      11      90     111    -105      99      11
+      90     111     114     117      12      87      84      99     105      11
+      87      90    -111     105      11      87      90     111     114      11
+      84      87      90     111      11      84      99    -105     111      11
+      81      78      84      87      11      81      78      84      99      11
+      78      84      87      90      11      78      84      99     105      11
+      75      78      84      87      11      75      78      84      99      11
+      72      75      78      81      13      72      75      78      84      13
+      66      72      75      78      14      60      66      72      75      11
+      54      51      60      66      11      51      45      42      72      11
+      51      60     -66      72      11      45      42      72      66      11
+      45      42      72      75      11      45      51     -60      66      11
+      42      39     -36      75      15      42      45      51      54      11
+      42      45      51      60      11      42      72     -66      60      11
+      42      72      75      78      14      39      36     -75      72      16
+      39      36      75      78      16      39      42      45      51      11
+      39      42      72      66      11      39      42     -72      75      11
+      36      39      42      45      17      36      39     -42      72      17
+      36      75      72      66      14      36      75     -72      42      14
+      36      75      78      81      13      36      75      78      84      13
+      33      36      39      42      15      33      36      75      72      16
+      33      36      75      78      16      27      33      36      39      14
+      27      33      36      75      14      21      27      33      36      11
+      12       9       6      21      11      12      33     -27      21      11
+      12      33      36      39      14      12      33      36      75      14
+       9       6      21      27      11       9      12     -33      27      11
+       9      12      33      36      11       6       9      12      33      11
+       6      21     -27      33      11       0       6       9      12      11
+       0       6      21      27      11      90     105    -111    -114      18
+      78      87     -84     -99      18      84      75     -78     -81      19
+      78      72     -75     -36      18      42      66     -72     -75      18
+      45      60     -51     -54      18      45      72     -42     -39      18
+      33      75     -36     -39      18      12      27     -33     -36      18
+       0       6     -21      -9      18
+%FLAG EXCLUDED_ATOMS_LIST                                                       
+%FORMAT(10I8)                                                                   
+       2       3       4       5       7       8       9      10       3       4
+       8       4       5       6       7       8       9      10      11      12
+       5       6       7       8       9      10      12      13       6       7
+       8      10      11      12      13      14      26       7      10      12
+      13       8      12       9      10      11      12      13      10      11
+      12      11      12      13      14      26      12      13      13      14
+      15      25      26      27      14      15      16      23      25      26
+      27      28      29      15      16      17      18      23      25      26
+      27      16      17      18      19      21      23      24      25      26
+      27      17      18      19      20      21      22      23      25      26
+      18      19      21      25      19      20      21      22      23      24
+      25      20      21      22      23      21      22      23      24      25
+      26      23      24      25      24      25      26      27      25      26
+      26      27      28      29      27      28      29      30      34      28
+      29      30      31      33      34      35      36      29      30      34
+      30      31      32      33      34      35      36      37      38      31
+      32      33      34      35      36      38      39      32      33      34
+      36      37      38      39      40      33      36      38      39      34
+      38      35      36      37      38      39      36      37      38      37
+      38      39      40      38      39      39      40      41      42      43
+      40      41      42      43      44      45      46      41      42      43
+      44      45      46      47      59      42      43      44      45      46
+      43      44      45      46      44      45      46      47      48      49
+      50      56      59      60      61      45      46      47      59      46
+      47      59      47      48      49      50      51      52      53      56
+      57      58      59      60      61      48      49      50      51      52
+      53      54      55      56      59      60      61      49      50      51
+      52      53      59      50      51      52      53      59      51      52
+      53      54      55      56      57      58      59      52      53      54
+      55      56      53      54      55      56      54      55      56      57
+      58      59      60      61      55      56      57      58      59      56
+      57      58      59      57      58      59      60      61      58      59
+      60      61      59      60      61      60      61      61       0
+%FLAG HBOND_ACOEF                                                               
+%FORMAT(5E16.8)                                                                 
+
+%FLAG HBOND_BCOEF                                                               
+%FORMAT(5E16.8)                                                                 
+
+%FLAG HBCUT                                                                     
+%FORMAT(5E16.8)                                                                 
+
+%FLAG AMBER_ATOM_TYPE                                                           
+%FORMAT(20a4)                                                                   
+oh  ho  ca  ca  ca  ha  ha  ca  ha  ca  ha  ca  cc  ss  ca  ca  ha  ca  oh  ho  
+ca  ha  ca  ha  ca  cd  c   o   ca  ca  ca  ha  ha  ca  ha  ca  ha  ca  os  c3  
+h1  h1  c3  h1  h1  n3  c3  h1  h1  c3  hc  hc  c3  hc  hc  c3  hc  hc  c3  h1  
+h1  
+%FLAG TREE_CHAIN_CLASSIFICATION                                                 
+%FORMAT(20a4)                                                                   
+M   E   M   M   M   E   E   B   E   S   E   M   M   S   B   S   E   S   S   E   
+B   E   B   E   S   M   M   E   M   B   S   E   E   M   E   M   E   M   M   M   
+E   E   M   E   E   M   3   E   E   3   E   E   3   E   E   B   E   E   M   E   
+E   
+%FLAG JOIN_ARRAY                                                                
+%FORMAT(10I8)                                                                   
+       0       0       0       0       0       0       0       0       0       0
+       0       0       0       0       0       0       0       0       0       0
+       0       0       0       0       0       0       0       0       0       0
+       0       0       0       0       0       0       0       0       0       0
+       0       0       0       0       0       0       0       0       0       0
+       0       0       0       0       0       0       0       0       0       0
+       0
+%FLAG IROTAT                                                                    
+%FORMAT(10I8)                                                                   
+       0       0       0       0       0       0       0       0       0       0
+       0       0       0       0       0       0       0       0       0       0
+       0       0       0       0       0       0       0       0       0       0
+       0       0       0       0       0       0       0       0       0       0
+       0       0       0       0       0       0       0       0       0       0
+       0       0       0       0       0       0       0       0       0       0
+       0
+%FLAG RADIUS_SET                                                                
+%FORMAT(1a80)                                                                   
+H(N)-modified Bondi radii (mbondi2)                                             
+%FLAG RADII                                                                     
+%FORMAT(5E16.8)                                                                 
+  1.50000000E+00  1.20000000E+00  1.70000000E+00  1.70000000E+00  1.70000000E+00
+  1.20000000E+00  1.20000000E+00  1.70000000E+00  1.20000000E+00  1.70000000E+00
+  1.20000000E+00  1.70000000E+00  1.70000000E+00  1.80000000E+00  1.70000000E+00
+  1.70000000E+00  1.20000000E+00  1.70000000E+00  1.50000000E+00  1.20000000E+00
+  1.70000000E+00  1.20000000E+00  1.70000000E+00  1.20000000E+00  1.70000000E+00
+  1.70000000E+00  1.70000000E+00  1.50000000E+00  1.70000000E+00  1.70000000E+00
+  1.70000000E+00  1.20000000E+00  1.20000000E+00  1.70000000E+00  1.20000000E+00
+  1.70000000E+00  1.20000000E+00  1.70000000E+00  1.50000000E+00  1.70000000E+00
+  1.20000000E+00  1.20000000E+00  1.70000000E+00  1.20000000E+00  1.20000000E+00
+  1.55000000E+00  1.70000000E+00  1.20000000E+00  1.20000000E+00  1.70000000E+00
+  1.20000000E+00  1.20000000E+00  1.70000000E+00  1.20000000E+00  1.20000000E+00
+  1.70000000E+00  1.20000000E+00  1.20000000E+00  1.70000000E+00  1.20000000E+00
+  1.20000000E+00
+%FLAG SCREEN                                                                    
+%FORMAT(5E16.8)                                                                 
+  8.50000000E-01  8.50000000E-01  7.20000000E-01  7.20000000E-01  7.20000000E-01
+  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.20000000E-01
+  8.50000000E-01  7.20000000E-01  7.20000000E-01  9.60000000E-01  7.20000000E-01
+  7.20000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01
+  7.20000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.20000000E-01
+  7.20000000E-01  7.20000000E-01  8.50000000E-01  7.20000000E-01  7.20000000E-01
+  7.20000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
+  7.20000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.20000000E-01
+  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01
+  7.90000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01
+  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01
+  7.20000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
+  8.50000000E-01
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/receptor.prmtop	Tue Nov 30 10:00:44 2021 +0000
@@ -0,0 +1,19148 @@
+%VERSION  VERSION_STAMP = V0001.000  DATE = 10/09/09  16:29:33                  
+%FLAG TITLE                                                                     
+%FORMAT(20a4)                                                                   
+                                                                                
+%FLAG POINTERS                                                                  
+%FORMAT(10I8)                                                                   
+    3880      14    1964    1953    4477    2641    8324    6620       0       0
+   21445     240    1953    2641    6620      41      89      42      28       0
+       0       0       0       0       0       0       0       0      24       0
+       0
+%FLAG ATOM_NAME                                                                 
+%FORMAT(20a4)                                                                   
+N   H1  H2  H3  CA  HA  CB  HB1 HB2 HB3 C   O   N   H   CA  HA  CB  HB2 HB3 CG  
+HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   O   N   H   CA  HA  CB  HB2 HB3 OG  HG  
+C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   
+O   N   H   CA  HA  CB  HB  CG2 HG21HG22HG23OG1 HG1 C   O   N   H   CA  HA  CB  
+HB1 HB2 HB3 C   O   N   H   CA  HA  CB  HB2 HB3 CG  OD1 OD2 C   O   N   H   CA  
+HA  CB  HB2 HB3 CG  HG2 HG3 CD  OE1 NE2 HE21HE22C   O   N   H   CA  HA  CB  HB2 
+HB3 CG  HG2 HG3 SD  CE  HE1 HE2 HE3 C   O   N   H   CA  HA  CB  HB  CG1 HG11HG12
+HG13CG2 HG21HG22HG23C   O   N   H   CA  HA  CB  HB2 HB3 OG  HG  C   O   N   H   
+CA  HA  CB  HB1 HB2 HB3 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12
+HD13CD2 HD21HD22HD23C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13
+CD2 HD21HD22HD23C   O   N   H   CA  HA  CB  HB2 HB3 CG  OD1 OD2 C   O   N   H   
+CA  HA  CB  HB1 HB2 HB3 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  OE1 
+OE2 C   O   N   CD  HD2 HD3 CG  HG2 HG3 CB  HB2 HB3 CA  HA  C   O   N   CD  HD2 
+HD3 CG  HG2 HG3 CB  HB2 HB3 CA  HA  C   O   N   H   CA  HA  CB  HB  CG2 HG21HG22
+HG23CG1 HG12HG13CD1 HD11HD12HD13C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 
+HD11HD12HD13CD2 HD21HD22HD23C   O   N   H   CA  HA  CB  HB2 HB3 CG  CD1 HD1 CE1 
+HE1 CZ  OH  HH  CE2 HE2 CD2 HD2 C   O   N   H   CA  HA  CB  HB2 HB3 OG  HG  C   
+O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  OE1 OE2 C   O   N   H   CA  HA  
+CB  HB2 HB3 CG  CD1 HD1 CE1 HE1 CZ  OH  HH  CE2 HE2 CD2 HD2 C   O   N   H   CA  
+HA  CB  HB2 HB3 CG  OD1 OD2 C   O   N   CD  HD2 HD3 CG  HG2 HG3 CB  HB2 HB3 CA  
+HA  C   O   N   H   CA  HA  CB  HB  CG2 HG21HG22HG23OG1 HG1 C   O   N   H   CA  
+HA  CB  HB2 HB3 CG  HG2 HG3 CD  HD2 HD3 NE  HE  CZ  NH1 HH11HH12NH2 HH21HH22C   
+O   N   CD  HD2 HD3 CG  HG2 HG3 CB  HB2 HB3 CA  HA  C   O   N   H   CA  HA  CB  
+HB2 HB3 CG  CD1 HD1 CE1 HE1 CZ  HZ  CE2 HE2 CD2 HD2 C   O   N   H   CA  HA  CB  
+HB2 HB3 OG  HG  C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  OE1 OE2 C   
+O   N   H   CA  HA  CB  HB1 HB2 HB3 C   O   N   H   CA  HA  CB  HB2 HB3 OG  HG  
+C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 SD  CE  HE1 HE2 HE3 C   O   N   
+H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 SD  CE  HE1 HE2 HE3 C   O   N   H   CA  HA2 
+HA3 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 HD21HD22HD23
+C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   
+O   N   H   CA  HA  CB  HB  CG2 HG21HG22HG23OG1 HG1 C   O   N   H   CA  HA  CB  
+HB2 HB3 CG  OD1 ND2 HD21HD22C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11
+HD12HD13CD2 HD21HD22HD23C   O   N   H   CA  HA  CB  HB1 HB2 HB3 C   O   N   H   
+CA  HA  CB  HB2 HB3 CG  OD1 OD2 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 
+CD  HD2 HD3 NE  HE  CZ  NH1 HH11HH12NH2 HH21HH22C   O   N   H   CA  HA  CB  HB2 
+HB3 CG  HG2 HG3 CD  OE1 OE2 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11
+HD12HD13CD2 HD21HD22HD23C   O   N   H   CA  HA  CB  HB  CG1 HG11HG12HG13CG2 HG21
+HG22HG23C   O   N   H   CA  HA  CB  HB2 HB3 CG  ND1 CE1 HE1 NE2 HE2 CD2 HD2 C   
+O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 SD  CE  HE1 HE2 HE3 C   O   N   H   
+CA  HA  CB  HB  CG2 HG21HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C   O   N   H   CA  
+HA  CB  HB2 HB3 CG  OD1 ND2 HD21HD22C   O   N   H   CA  HA  CB  HB2 HB3 CG  CD1 
+HD1 NE1 HE1 CE2 CZ2 HZ2 CH2 HH2 CZ3 HZ3 CE3 HE3 CD2 C   O   N   H   CA  HA  CB  
+HB1 HB2 HB3 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  HD2 HD3 CE  HE2 
+HE3 NZ  HZ1 HZ2 HZ3 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  HD2 HD3 
+NE  HE  CZ  NH1 HH11HH12NH2 HH21HH22C   O   N   H   CA  HA  CB  HB  CG1 HG11HG12
+HG13CG2 HG21HG22HG23C   O   N   CD  HD2 HD3 CG  HG2 HG3 CB  HB2 HB3 CA  HA  C   
+O   N   H   CA  HA2 HA3 C   O   N   H   CA  HA  CB  HB2 HB3 CG  CD1 HD1 CE1 HE1 
+CZ  HZ  CE2 HE2 CD2 HD2 C   O   N   H   CA  HA  CB  HB  CG1 HG11HG12HG13CG2 HG21
+HG22HG23C   O   N   H   CA  HA  CB  HB2 HB3 CG  OD1 OD2 C   O   N   H   CA  HA  
+CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   O   N   H   CA  HA  CB  
+HB  CG2 HG21HG22HG23OG1 HG1 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11
+HD12HD13CD2 HD21HD22HD23C   O   N   H   CA  HA  CB  HB2 HB3 CG  ND1 CE1 HE1 NE2 
+HE2 CD2 HD2 C   O   N   H   CA  HA  CB  HB2 HB3 CG  OD1 OD2 C   O   N   H   CA  
+HA  CB  HB2 HB3 CG  HG2 HG3 CD  OE1 NE2 HE21HE22C   O   N   H   CA  HA  CB  HB  
+CG1 HG11HG12HG13CG2 HG21HG22HG23C   O   N   H   CA  HA  CB  HB2 HB3 CG  ND1 CE1 
+HE1 NE2 HE2 CD2 HD2 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13
+CD2 HD21HD22HD23C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 
+HD21HD22HD23C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  OE1 OE2 C   O   
+N   H   CA  HA  CB  HB2 HB3 SG  HG  C   O   N   H   CA  HA  CB  HB1 HB2 HB3 C   
+O   N   H   CA  HA  CB  HB2 HB3 CG  CD1 HD1 NE1 HE1 CE2 CZ2 HZ2 CH2 HH2 CZ3 HZ3 
+CE3 HE3 CD2 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 HD21
+HD22HD23C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  OE1 OE2 C   O   N   
+H   CA  HA  CB  HB  CG2 HG21HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C   O   N   H   
+CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   O   N   H   CA  
+HA  CB  HB2 HB3 CG  HG2 HG3 SD  CE  HE1 HE2 HE3 C   O   N   H   CA  HA  CB  HB  
+CG2 HG21HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C   O   N   H   CA  HA2 HA3 C   O   
+N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   O   N   
+H   CA  HA  CB  HB  CG1 HG11HG12HG13CG2 HG21HG22HG23C   O   N   H   CA  HA  CB  
+HB2 HB3 CG  CD1 HD1 NE1 HE1 CE2 CZ2 HZ2 CH2 HH2 CZ3 HZ3 CE3 HE3 CD2 C   O   N   
+H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  HD2 HD3 NE  HE  CZ  NH1 HH11HH12NH2 HH21
+HH22C   O   N   H   CA  HA  CB  HB2 HB3 OG  HG  C   O   N   H   CA  HA  CB  HB2 
+HB3 CG  HG2 HG3 SD  CE  HE1 HE2 HE3 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 
+HG3 CD  OE1 OE2 C   O   N   H   CA  HA  CB  HB2 HB3 CG  ND1 CE1 HE1 NE2 HE2 CD2 
+HD2 C   O   N   CD  HD2 HD3 CG  HG2 HG3 CB  HB2 HB3 CA  HA  C   O   N   H   CA  
+HA2 HA3 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  HD2 HD3 CE  HE2 HE3 
+NZ  HZ1 HZ2 HZ3 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 
+HD21HD22HD23C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 HD21
+HD22HD23C   O   N   H   CA  HA  CB  HB2 HB3 CG  CD1 HD1 CE1 HE1 CZ  HZ  CE2 HE2 
+CD2 HD2 C   O   N   H   CA  HA  CB  HB1 HB2 HB3 C   O   N   CD  HD2 HD3 CG  HG2 
+HG3 CB  HB2 HB3 CA  HA  C   O   N   H   CA  HA  CB  HB2 HB3 CG  OD1 ND2 HD21HD22
+C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   
+O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   O   
+N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   O   N   
+H   CA  HA  CB  HB2 HB3 CG  OD1 OD2 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 
+HG3 CD  HD2 HD3 NE  HE  CZ  NH1 HH11HH12NH2 HH21HH22C   O   N   H   CA  HA  CB  
+HB2 HB3 CG  OD1 ND2 HD21HD22C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  
+OE1 NE2 HE21HE22C   O   N   H   CA  HA2 HA3 C   O   N   H   CA  HA  CB  HB2 HB3 
+CG  HG2 HG3 CD  HD2 HD3 CE  HE2 HE3 NZ  HZ1 HZ2 HZ3 C   O   N   H   CA  HA  CB  
+HB2 HB3 SG  HG  C   O   N   H   CA  HA  CB  HB  CG1 HG11HG12HG13CG2 HG21HG22HG23
+C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  OE1 OE2 C   O   N   H   CA  
+HA2 HA3 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 SD  CE  HE1 HE2 HE3 C   
+O   N   H   CA  HA  CB  HB  CG1 HG11HG12HG13CG2 HG21HG22HG23C   O   N   H   CA  
+HA  CB  HB2 HB3 CG  HG2 HG3 CD  OE1 OE2 C   O   N   H   CA  HA  CB  HB  CG2 HG21
+HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C   O   N   H   CA  HA  CB  HB2 HB3 CG  CD1 
+HD1 CE1 HE1 CZ  HZ  CE2 HE2 CD2 HD2 C   O   N   H   CA  HA  CB  HB2 HB3 CG  OD1 
+OD2 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 SD  CE  HE1 HE2 HE3 C   O   
+N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   O   N   
+H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   O   N   H   
+CA  HA  CB  HB1 HB2 HB3 C   O   N   H   CA  HA  CB  HB  CG2 HG21HG22HG23OG1 HG1 
+C   O   N   H   CA  HA  CB  HB2 HB3 OG  HG  C   O   N   H   CA  HA  CB  HB2 HB3 
+OG  HG  C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  HD2 HD3 NE  HE  CZ  
+NH1 HH11HH12NH2 HH21HH22C   O   N   H   CA  HA  CB  HB2 HB3 CG  CD1 HD1 CE1 HE1 
+CZ  HZ  CE2 HE2 CD2 HD2 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  HD2 
+HD3 NE  HE  CZ  NH1 HH11HH12NH2 HH21HH22C   O   N   H   CA  HA  CB  HB2 HB3 CG  
+HG2 HG3 SD  CE  HE1 HE2 HE3 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 SD  
+CE  HE1 HE2 HE3 C   O   N   H   CA  HA  CB  HB2 HB3 CG  OD1 ND2 HD21HD22C   O   
+N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   O   N   
+H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  OE1 NE2 HE21HE22C   O   N   H   CA  HA2 
+HA3 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  OE1 OE2 C   O   N   H   
+CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  OE1 OE2 C   O   N   H   CA  HA  CB  HB2 HB3 
+CG  CD1 HD1 CE1 HE1 CZ  HZ  CE2 HE2 CD2 HD2 C   O   N   H   CA  HA  CB  HB  CG1 
+HG11HG12HG13CG2 HG21HG22HG23C   O   N   H   CA  HA  CB  HB2 HB3 SG  HG  C   O   
+N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   O   N   
+H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  HD2 HD3 CE  HE2 HE3 NZ  HZ1 HZ2 HZ3 C   
+O   N   H   CA  HA  CB  HB2 HB3 OG  HG  C   O   N   H   CA  HA  CB  HB  CG2 HG21
+HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C   O   N   H   CA  HA  CB  HB  CG2 HG21HG22
+HG23CG1 HG12HG13CD1 HD11HD12HD13C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 
+HD11HD12HD13CD2 HD21HD22HD23C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11
+HD12HD13CD2 HD21HD22HD23C   O   N   H   CA  HA  CB  HB2 HB3 CG  OD1 ND2 HD21HD22
+C   O   N   H   CA  HA  CB  HB2 HB3 OG  HG  C   O   N   H   CA  HA2 HA3 C   O   
+N   H   CA  HA  CB  HB  CG1 HG11HG12HG13CG2 HG21HG22HG23C   O   N   H   CA  HA  
+CB  HB2 HB3 CG  CD1 HD1 CE1 HE1 CZ  OH  HH  CE2 HE2 CD2 HD2 C   O   N   H   CA  
+HA  CB  HB  CG2 HG21HG22HG23OG1 HG1 C   O   N   H   CA  HA  CB  HB2 HB3 CG  CD1 
+HD1 CE1 HE1 CZ  HZ  CE2 HE2 CD2 HD2 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  
+CD1 HD11HD12HD13CD2 HD21HD22HD23C   O   N   H   CA  HA  CB  HB2 HB3 OG  HG  C   
+O   N   H   CA  HA  CB  HB2 HB3 OG  HG  C   O   N   H   CA  HA  CB  HB  CG2 HG21
+HG22HG23OG1 HG1 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 
+HD21HD22HD23C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  HD2 HD3 CE  HE2 
+HE3 NZ  HZ1 HZ2 HZ3 C   O   N   H   CA  HA  CB  HB2 HB3 OG  HG  C   O   N   H   
+CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   O   N   H   CA  
+HA  CB  HB2 HB3 CG  HG2 HG3 CD  OE1 OE2 C   O   N   H   CA  HA  CB  HB2 HB3 CG  
+HG2 HG3 CD  OE1 OE2 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  HD2 HD3 
+CE  HE2 HE3 NZ  HZ1 HZ2 HZ3 C   O   N   H   CA  HA  CB  HB2 HB3 CG  OD1 OD2 C   
+O   N   H   CA  HA  CB  HB2 HB3 CG  ND1 CE1 HE1 NE2 HE2 CD2 HD2 C   O   N   H   
+CA  HA  CB  HB  CG2 HG21HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C   O   N   H   CA  
+HA  CB  HB2 HB3 CG  ND1 CE1 HE1 NE2 HE2 CD2 HD2 C   O   N   H   CA  HA  CB  HB2 
+HB3 CG  HG2 HG3 CD  HD2 HD3 NE  HE  CZ  NH1 HH11HH12NH2 HH21HH22C   O   N   H   
+CA  HA  CB  HB  CG1 HG11HG12HG13CG2 HG21HG22HG23C   O   N   H   CA  HA  CB  HB2 
+HB3 CG  HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   O   N   H   CA  HA  CB  HB2 HB3 
+CG  OD1 OD2 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  HD2 HD3 CE  HE2 
+HE3 NZ  HZ1 HZ2 HZ3 C   O   N   H   CA  HA  CB  HB  CG2 HG21HG22HG23CG1 HG12HG13
+CD1 HD11HD12HD13C   O   N   H   CA  HA  CB  HB  CG2 HG21HG22HG23OG1 HG1 C   O   
+N   H   CA  HA  CB  HB2 HB3 CG  OD1 OD2 C   O   N   H   CA  HA  CB  HB  CG2 HG21
+HG22HG23OG1 HG1 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 
+HD21HD22HD23C   O   N   H   CA  HA  CB  HB  CG2 HG21HG22HG23CG1 HG12HG13CD1 HD11
+HD12HD13C   O   N   H   CA  HA  CB  HB2 HB3 CG  ND1 CE1 HE1 NE2 HE2 CD2 HD2 C   
+O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   O   
+N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 SD  CE  HE1 HE2 HE3 C   O   N   H   CA  
+HA  CB  HB1 HB2 HB3 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  HD2 HD3 
+CE  HE2 HE3 NZ  HZ1 HZ2 HZ3 C   O   N   H   CA  HA  CB  HB1 HB2 HB3 C   O   N   
+H   CA  HA2 HA3 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 
+HD21HD22HD23C   O   N   H   CA  HA  CB  HB  CG2 HG21HG22HG23OG1 HG1 C   O   N   
+H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   O   N   H   
+CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  OE1 NE2 HE21HE22C   O   N   H   CA  HA  CB  
+HB2 HB3 CG  HG2 HG3 CD  OE1 NE2 HE21HE22C   O   N   H   CA  HA  CB  HB2 HB3 CG  
+HG2 HG3 CD  OE1 NE2 HE21HE22C   O   N   H   CA  HA  CB  HB2 HB3 CG  ND1 CE1 HE1 
+NE2 HE2 CD2 HD2 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  OE1 NE2 HE21
+HE22C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  HD2 HD3 NE  HE  CZ  NH1 
+HH11HH12NH2 HH21HH22C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13
+CD2 HD21HD22HD23C   O   N   H   CA  HA  CB  HB1 HB2 HB3 C   O   N   H   CA  HA  
+CB  HB2 HB3 CG  HG2 HG3 CD  OE1 NE2 HE21HE22C   O   N   H   CA  HA  CB  HB2 HB3 
+CG  HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   O   N   H   CA  HA  CB  HB2 HB3 CG  
+HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  
+CD1 HD11HD12HD13CD2 HD21HD22HD23C   O   N   H   CA  HA  CB  HB  CG2 HG21HG22HG23
+CG1 HG12HG13CD1 HD11HD12HD13C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11
+HD12HD13CD2 HD21HD22HD23C   O   N   H   CA  HA  CB  HB2 HB3 OG  HG  C   O   N   
+H   CA  HA  CB  HB2 HB3 CG  ND1 CE1 HE1 NE2 HE2 CD2 HD2 C   O   N   H   CA  HA  
+CB  HB  CG2 HG21HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C   O   N   H   CA  HA  CB  
+HB2 HB3 CG  HG2 HG3 CD  HD2 HD3 NE  HE  CZ  NH1 HH11HH12NH2 HH21HH22C   O   N   
+H   CA  HA  CB  HB2 HB3 CG  ND1 CE1 HE1 NE2 HE2 CD2 HD2 C   O   N   H   CA  HA  
+CB  HB2 HB3 CG  HG2 HG3 SD  CE  HE1 HE2 HE3 C   O   N   H   CA  HA  CB  HB2 HB3 
+OG  HG  C   O   N   H   CA  HA  CB  HB2 HB3 CG  OD1 ND2 HD21HD22C   O   N   H   
+CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  HD2 HD3 CE  HE2 HE3 NZ  HZ1 HZ2 HZ3 C   O   
+N   H   CA  HA2 HA3 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 SD  CE  HE1 
+HE2 HE3 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  OE1 OE2 C   O   N   
+H   CA  HA  CB  HB2 HB3 CG  ND1 CE1 HE1 NE2 HE2 CD2 HD2 C   O   N   H   CA  HA  
+CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   O   N   H   CA  HA  CB  
+HB2 HB3 CG  CD1 HD1 CE1 HE1 CZ  OH  HH  CE2 HE2 CD2 HD2 C   O   N   H   CA  HA  
+CB  HB2 HB3 OG  HG  C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 SD  CE  HE1 
+HE2 HE3 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  HD2 HD3 CE  HE2 HE3 
+NZ  HZ1 HZ2 HZ3 C   O   N   H   CA  HA  CB  HB2 HB3 SG  HG  C   O   N   H   CA  
+HA  CB  HB2 HB3 CG  HG2 HG3 CD  HD2 HD3 CE  HE2 HE3 NZ  HZ1 HZ2 HZ3 C   O   N   
+H   CA  HA  CB  HB2 HB3 CG  OD1 ND2 HD21HD22C   O   N   H   CA  HA  CB  HB  CG1 
+HG11HG12HG13CG2 HG21HG22HG23C   O   N   H   CA  HA  CB  HB  CG1 HG11HG12HG13CG2 
+HG21HG22HG23C   O   N   CD  HD2 HD3 CG  HG2 HG3 CB  HB2 HB3 CA  HA  C   O   N   
+H   CA  HA  CB  HB2 HB3 CG  CD1 HD1 CE1 HE1 CZ  OH  HH  CE2 HE2 CD2 HD2 C   O   
+N   H   CA  HA  CB  HB2 HB3 CG  OD1 OD2 C   O   N   H   CA  HA  CB  HB2 HB3 CG  
+HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  
+CD1 HD11HD12HD13CD2 HD21HD22HD23C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 
+HD11HD12HD13CD2 HD21HD22HD23C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 CD  
+OE1 OE2 C   O   N   H   CA  HA  CB  HB2 HB3 CG  HG2 HG3 SD  CE  HE1 HE2 HE3 C   
+O   N   H   CA  HA  CB  HB2 HB3 CG  HG  CD1 HD11HD12HD13CD2 HD21HD22HD23C   O   
+N   H   CA  HA  CB  HB2 HB3 CG  OD1 OD2 C   O   N   H   CA  HA  CB  HB1 HB2 HB3 
+C   O   N   H   CA  HA  CB  HB2 HB3 CG  ND1 CE1 HE1 NE2 HE2 CD2 HD2 C   O   OXT 
+%FLAG CHARGE                                                                    
+%FORMAT(5E16.8)                                                                 
+  2.57663322E+00  3.63899331E+00  3.63899331E+00  3.63899331E+00  1.75298526E+00
+  1.61996247E+00 -1.08787131E+00  5.46669000E-01  5.46669000E-01  5.46669000E-01
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+ -6.57825030E-01 -7.50940983E+00  1.82223000E+00  1.82223000E+00  1.82223000E+00
+ -7.50940983E+00  1.82223000E+00  1.82223000E+00  1.82223000E+00  1.08841798E+01
+ -1.03484442E+01 -7.57501011E+00  4.95464337E+00 -4.53735270E-01  1.53613989E+00
+  3.85766091E+00  6.41424960E-01  6.41424960E-01 -1.19283176E+01  7.79003325E+00
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+ -7.50940983E+00  1.82223000E+00  1.82223000E+00  1.82223000E+00  1.08841798E+01
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+ -9.76715280E-01  1.24640532E+00  1.24640532E+00  1.24640532E+00  1.08841798E+01
+ -1.03484442E+01 -7.57501011E+00  4.95464337E+00 -1.59445125E+00  1.76574087E+00
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+  1.53613989E+00  3.85766091E+00  6.41424960E-01  6.41424960E-01 -1.19283176E+01
+  7.79003325E+00  1.08841798E+01 -1.03484442E+01 -7.57501011E+00  4.95464337E+00
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+ -9.43915140E-01  1.68009606E+00 -2.00809746E+00  8.32759110E-01  8.32759110E-01
+  6.43429413E+00 -6.57825030E-01 -7.50940983E+00  1.82223000E+00  1.82223000E+00
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+ -6.57825030E-01 -7.50940983E+00  1.82223000E+00  1.82223000E+00  1.82223000E+00
+ -7.50940983E+00  1.82223000E+00  1.82223000E+00  1.82223000E+00  1.08841798E+01
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+ -5.52135690E-01 -2.22312060E-01 -2.22312060E-01  1.45669066E+01 -1.46033512E+01
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+ -1.49204192E+01  9.77808618E+00 -1.06035564E+01 -4.64304204E+00  3.49868160E-01
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+  7.12491930E-01  3.44401470E-01  3.88134990E-01  3.88134990E-01 -1.27556100E-01
+  4.61024190E-01  4.61024190E-01 -4.84713180E-01  1.16804943E+00  1.07438681E+01
+ -1.04741780E+01 -7.57501011E+00  4.95464337E+00 -1.08787131E+00  1.58351787E+00
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+  3.38934780E-01  3.38934780E-01  3.38934780E-01  1.08841798E+01 -1.03484442E+01
+ -7.57501011E+00  4.95464337E+00 -9.43915140E-01  1.68009606E+00 -2.00809746E+00
+  8.32759110E-01  8.32759110E-01  6.43429413E+00 -6.57825030E-01 -7.50940983E+00
+  1.82223000E+00  1.82223000E+00  1.82223000E+00 -7.50940983E+00  1.82223000E+00
+  1.82223000E+00  1.82223000E+00  1.08841798E+01 -1.03484442E+01 -7.57501011E+00
+  4.95464337E+00 -2.55112200E-02  1.59627348E+00 -2.76978960E-01  5.37557850E-01
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+%FLAG MASS                                                                      
+%FORMAT(5E16.8)                                                                 
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+  1.20100000E+01  1.00800000E+00  1.20100000E+01  1.60000000E+01  1.60000000E+01
+%FLAG ATOM_TYPE_INDEX                                                           
+%FORMAT(10I8)                                                                   
+       1       2       2       2       3       4       3       5       5       5
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+       5       3       5       5       5       3       5       5       5       6
+       7       1       2       3       8       3       8       8       9      10
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+       5       5       5       6       7       1       2       3       8       3
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+       7       1       2       3       8       3       5       3       5       5
+       5       3       5       5       5       6       7       1       2       3
+       8       3       8       8       9      10       6       7       1       2
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+       5       3       5       5       5       6       7       1       2       3
+       8       3       5       5       3       5       3       5       5       5
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+       5       5       3       5       5       6       7       7       6       7
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+       8       8       6       7       1       2       3       8       3       5
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+       5       6       7       1       2       3       8       8       6       7
+       1       2       3       8       3       5       5       3       5       3
+       5       5       5       3       5       5       5       6       7       1
+       2       3       8       3       5       3       5       5       5       3
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+       5       5       6       6      14       1       2       6       6      12
+       6      12       6      12       6      12       6       6       7       1
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+       5       6       7       7       6       7       1       2       3       8
+       3       5       5       6       1       6      13       1       2       6
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+       8       8       6       7       1       2       3       8       3       5
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+       1       2       2       2       6       7       1       2       3       8
+       3       5       5       3       5       3       5       5       5       3
+       5       5       5       6       7       1       2       3       8       3
+       5       5       3       5       3       5       5       5       3       5
+       5       5       6       7       1       2       3       8       3       5
+       5       6       6      12       6      12       6      12       6      12
+       6      12       6       7       1       2       3       8       3       5
+       5       5       6       7       1       3       8       8       3       5
+       5       3       5       5       3       8       6       7       1       2
+       3       8       3       5       5       6       7       1       2       2
+       6       7       1       2       3       8       3       5       5       3
+       5       3       5       5       5       3       5       5       5       6
+       7       1       2       3       8       3       5       5       3       5
+       3       5       5       5       3       5       5       5       6       7
+       1       2       3       8       3       5       5       3       5       3
+       5       5       5       3       5       5       5       6       7       1
+       2       3       8       3       5       5       6       7       7       6
+       7       1       2       3       8       3       5       5       3       5
+       5       3       8       8       1       2       6       1       2       2
+       1       2       2       6       7       1       2       3       8       3
+       5       5       6       7       1       2       2       6       7       1
+       2       3       8       3       5       5       3       5       5       6
+       7       1       2       2       6       7       1       2       3       8
+       8       6       7       1       2       3       8       3       5       5
+       3       5       5       3       5       5       3       4       4       1
+       2       2       2       6       7       1       2       3       8       3
+       8       8      11       2       6       7       1       2       3       8
+       3       5       3       5       5       5       3       5       5       5
+       6       7       1       2       3       8       3       5       5       3
+       5       5       6       7       7       6       7       1       2       3
+       8       8       6       7       1       2       3       8       3       5
+       5       3       8       8      11       3       8       8       8       6
+       7       1       2       3       8       3       5       3       5       5
+       5       3       5       5       5       6       7       1       2       3
+       8       3       5       5       3       5       5       6       7       7
+       6       7       1       2       3       8       3       5       3       5
+       5       5       3       5       5       3       5       5       5       6
+       7       1       2       3       8       3       5       5       6       6
+      12       6      12       6      12       6      12       6      12       6
+       7       1       2       3       8       3       5       5       6       7
+       7       6       7       1       2       3       8       3       5       5
+       3       8       8      11       3       8       8       8       6       7
+       1       2       3       8       3       5       5       3       5       3
+       5       5       5       3       5       5       5       6       7       1
+       2       3       8       3       5       5       3       5       3       5
+       5       5       3       5       5       5       6       7       1       2
+       3       8       3       5       5       5       6       7       1       2
+       3       8       3       8       3       5       5       5       9      10
+       6       7       1       2       3       8       3       8       8       9
+      10       6       7       1       2       3       8       3       8       8
+       9      10       6       7       1       2       3       8       3       5
+       5       3       5       5       3       8       8       1       2       6
+       1       2       2       1       2       2       6       7       1       2
+       3       8       3       5       5       6       6      12       6      12
+       6      12       6      12       6      12       6       7       1       2
+       3       8       3       5       5       3       5       5       3       8
+       8       1       2       6       1       2       2       1       2       2
+       6       7       1       2       3       8       3       5       5       3
+       8       8      11       3       8       8       8       6       7       1
+       2       3       8       3       5       5       3       8       8      11
+       3       8       8       8       6       7       1       2       3       8
+       3       5       5       6       7       1       2       2       6       7
+       1       2       3       8       3       5       5       3       5       3
+       5       5       5       3       5       5       5       6       7       1
+       2       3       8       3       5       5       3       5       5       6
+       7       1       2       2       6       7       1       2       3       8
+       8       6       7       1       2       3       8       3       5       5
+       3       5       5       6       7       7       6       7       1       2
+       3       8       3       5       5       3       5       5       6       7
+       7       6       7       1       2       3       8       3       5       5
+       6       6      12       6      12       6      12       6      12       6
+      12       6       7       1       2       3       8       3       5       3
+       5       5       5       3       5       5       5       6       7       1
+       2       3       8       3       8       8      11       2       6       7
+       1       2       3       8       3       5       5       3       5       3
+       5       5       5       3       5       5       5       6       7       1
+       2       3       8       3       5       5       3       5       5       3
+       5       5       3       4       4       1       2       2       2       6
+       7       1       2       3       8       3       8       8       9      10
+       6       7       1       2       3       8       3       5       3       5
+       5       5       3       5       5       3       5       5       5       6
+       7       1       2       3       8       3       5       3       5       5
+       5       3       5       5       3       5       5       5       6       7
+       1       2       3       8       3       5       5       3       5       3
+       5       5       5       3       5       5       5       6       7       1
+       2       3       8       3       5       5       3       5       3       5
+       5       5       3       5       5       5       6       7       1       2
+       3       8       3       5       5       6       7       1       2       2
+       6       7       1       2       3       8       3       8       8       9
+      10       6       7       1       2       3       8       8       6       7
+       1       2       3       8       3       5       3       5       5       5
+       3       5       5       5       6       7       1       2       3       8
+       3       5       5       6       6      12       6      12       6       9
+      10       6      12       6      12       6       7       1       2       3
+       8       3       8       3       5       5       5       9      10       6
+       7       1       2       3       8       3       5       5       6       6
+      12       6      12       6      12       6      12       6      12       6
+       7       1       2       3       8       3       5       5       3       5
+       3       5       5       5       3       5       5       5       6       7
+       1       2       3       8       3       8       8       9      10       6
+       7       1       2       3       8       3       8       8       9      10
+       6       7       1       2       3       8       3       8       3       5
+       5       5       9      10       6       7       1       2       3       8
+       3       5       5       3       5       3       5       5       5       3
+       5       5       5       6       7       1       2       3       8       3
+       5       5       3       5       5       3       5       5       3       4
+       4       1       2       2       2       6       7       1       2       3
+       8       3       8       8       9      10       6       7       1       2
+       3       8       3       5       5       3       5       3       5       5
+       5       3       5       5       5       6       7       1       2       3
+       8       3       5       5       3       5       5       6       7       7
+       6       7       1       2       3       8       3       5       5       3
+       5       5       6       7       7       6       7       1       2       3
+       8       3       5       5       3       5       5       3       5       5
+       3       4       4       1       2       2       2       6       7       1
+       2       3       8       3       5       5       6       7       7       6
+       7       1       2       3       8       3       5       5       6       1
+       6      13       1       2       6      14       6       7       1       2
+       3       8       3       5       3       5       5       5       3       5
+       5       3       5       5       5       6       7       1       2       3
+       8       3       5       5       6       1       6      13       1       2
+       6      14       6       7       1       2       3       8       3       5
+       5       3       5       5       3       8       8       1       2       6
+       1       2       2       1       2       2       6       7       1       2
+       3       8       3       5       3       5       5       5       3       5
+       5       5       6       7       1       2       3       8       3       5
+       5       3       5       3       5       5       5       3       5       5
+       5       6       7       1       2       3       8       3       5       5
+       6       7       7       6       7       1       2       3       8       3
+       5       5       3       5       5       3       5       5       3       4
+       4       1       2       2       2       6       7       1       2       3
+       8       3       5       3       5       5       5       3       5       5
+       3       5       5       5       6       7       1       2       3       8
+       3       8       3       5       5       5       9      10       6       7
+       1       2       3       8       3       5       5       6       7       7
+       6       7       1       2       3       8       3       8       3       5
+       5       5       9      10       6       7       1       2       3       8
+       3       5       5       3       5       3       5       5       5       3
+       5       5       5       6       7       1       2       3       8       3
+       5       3       5       5       5       3       5       5       3       5
+       5       5       6       7       1       2       3       8       3       5
+       5       6       1       6      13       1       2       6      14       6
+       7       1       2       3       8       3       5       5       3       5
+       3       5       5       5       3       5       5       5       6       7
+       1       2       3       8       3       5       5       3       8       8
+      11       3       8       8       8       6       7       1       2       3
+       8       3       5       5       5       6       7       1       2       3
+       8       3       5       5       3       5       5       3       5       5
+       3       4       4       1       2       2       2       6       7       1
+       2       3       8       3       5       5       5       6       7       1
+       2       3       8       8       6       7       1       2       3       8
+       3       5       5       3       5       3       5       5       5       3
+       5       5       5       6       7       1       2       3       8       3
+       8       3       5       5       5       9      10       6       7       1
+       2       3       8       3       5       5       3       5       3       5
+       5       5       3       5       5       5       6       7       1       2
+       3       8       3       5       5       3       5       5       6       7
+       1       2       2       6       7       1       2       3       8       3
+       5       5       3       5       5       6       7       1       2       2
+       6       7       1       2       3       8       3       5       5       3
+       5       5       6       7       1       2       2       6       7       1
+       2       3       8       3       5       5       6       1       6      13
+       1       2       6      14       6       7       1       2       3       8
+       3       5       5       3       5       5       6       7       1       2
+       2       6       7       1       2       3       8       3       5       5
+       3       5       5       3       8       8       1       2       6       1
+       2       2       1       2       2       6       7       1       2       3
+       8       3       5       5       3       5       3       5       5       5
+       3       5       5       5       6       7       1       2       3       8
+       3       5       5       5       6       7       1       2       3       8
+       3       5       5       3       5       5       6       7       1       2
+       2       6       7       1       2       3       8       3       5       5
+       3       5       3       5       5       5       3       5       5       5
+       6       7       1       2       3       8       3       5       5       3
+       5       3       5       5       5       3       5       5       5       6
+       7       1       2       3       8       3       5       5       3       5
+       3       5       5       5       3       5       5       5       6       7
+       1       2       3       8       3       5       3       5       5       5
+       3       5       5       3       5       5       5       6       7       1
+       2       3       8       3       5       5       3       5       3       5
+       5       5       3       5       5       5       6       7       1       2
+       3       8       3       8       8       9      10       6       7       1
+       2       3       8       3       5       5       6       1       6      13
+       1       2       6      14       6       7       1       2       3       8
+       3       5       3       5       5       5       3       5       5       3
+       5       5       5       6       7       1       2       3       8       3
+       5       5       3       5       5       3       8       8       1       2
+       6       1       2       2       1       2       2       6       7       1
+       2       3       8       3       5       5       6       1       6      13
+       1       2       6      14       6       7       1       2       3       8
+       3       5       5       3       8       8      11       3       8       8
+       8       6       7       1       2       3       8       3       8       8
+       9      10       6       7       1       2       3       8       3       5
+       5       6       7       1       2       2       6       7       1       2
+       3       8       3       5       5       3       5       5       3       5
+       5       3       4       4       1       2       2       2       6       7
+       1       2       3       8       8       6       7       1       2       3
+       8       3       5       5       3       8       8      11       3       8
+       8       8       6       7       1       2       3       8       3       5
+       5       3       5       5       6       7       7       6       7       1
+       2       3       8       3       5       5       6       1       6      13
+       1       2       6      14       6       7       1       2       3       8
+       3       5       5       3       5       3       5       5       5       3
+       5       5       5       6       7       1       2       3       8       3
+       5       5       6       6      12       6      12       6       9      10
+       6      12       6      12       6       7       1       2       3       8
+       3       8       8       9      10       6       7       1       2       3
+       8       3       5       5       3       8       8      11       3       8
+       8       8       6       7       1       2       3       8       3       5
+       5       3       5       5       3       5       5       3       4       4
+       1       2       2       2       6       7       1       2       3       8
+       3       8       8      11       2       6       7       1       2       3
+       8       3       5       5       3       5       5       3       5       5
+       3       4       4       1       2       2       2       6       7       1
+       2       3       8       3       5       5       6       7       1       2
+       2       6       7       1       2       3       8       3       5       3
+       5       5       5       3       5       5       5       6       7       1
+       2       3       8       3       5       3       5       5       5       3
+       5       5       5       6       7       1       3       8       8       3
+       5       5       3       5       5       3       8       6       7       1
+       2       3       8       3       5       5       6       6      12       6
+      12       6       9      10       6      12       6      12       6       7
+       1       2       3       8       3       5       5       6       7       7
+       6       7       1       2       3       8       3       5       5       3
+       5       3       5       5       5       3       5       5       5       6
+       7       1       2       3       8       3       5       5       3       5
+       3       5       5       5       3       5       5       5       6       7
+       1       2       3       8       3       5       5       3       5       3
+       5       5       5       3       5       5       5       6       7       1
+       2       3       8       3       5       5       3       5       5       6
+       7       7       6       7       1       2       3       8       3       5
+       5       3       8       8      11       3       8       8       8       6
+       7       1       2       3       8       3       5       5       3       5
+       3       5       5       5       3       5       5       5       6       7
+       1       2       3       8       3       5       5       6       7       7
+       6       7       1       2       3       8       3       5       5       5
+       6       7       1       2       3       8       3       5       5       6
+       1       6      13       1       2       6      14       6       7       7
+%FLAG NUMBER_EXCLUDED_ATOMS                                                     
+%FORMAT(10I8)                                                                   
+      12       6       5       4      10       7       6       3       2       1
+       7       3      10       4      13       7      15       6       5      10
+       8       7       3       2       1       3       2       1       1       7
+       3      10       4      11       7       7       4       3       2       1
+       7       3      10       4      13       7      15       6       5      10
+       8       7       3       2       1       3       2       1       1       7
+       3      10       4      14       7      10       7       6       3       2
+       1       2       1       7       3      10       4      10       7       6
+       3       2       1       7       3      10       4      12       7       8
+       5       4       3       1       1       7       3      10       4      13
+       7      11       6       5       8       4       3       4       3       2
+       1       1       7       3      10       4      13       7      10       6
+       5       8       3       2       4       3       2       1       1       7
+       3      10       4      16       7      12       9       8       3       2
+       1       4       2       1       1       7       3      10       4      11
+       7       7       4       3       2       1       7       3      10       4
+      10       7       6       3       2       1       7       3      10       4
+      13       7      15       6       5      10       8       7       3       2
+       1       3       2       1       1       7       3      10       4      13
+       7      15       6       5      10       8       7       3       2       1
+       3       2       1       1       7       3      10       4      12       7
+       8       5       4       3       1       1       7       3      10       4
+      10       7       6       3       2       1       7       3      10       4
+      13       7      11       6       5       6       4       3       2       1
+       1      10       3      14      11       6       5       8       5       4
+       7       4       3       6       3      10       3      14      11       6
+       5       8       5       4       7       4       3       6       3       7
+       3      10       4      16       7      15       9       8       3       2
+       1       7       5       4       3       2       1       1       7       3
+      10       4      13       7      15       6       5      10       8       7
+       3       2       1       3       2       1       1       7       3      10
+       4      12       7      12       5       4      10       8       4       7
+       3       6       4       1       3       2       1       1       7       3
+      10       4      11       7       7       4       3       2       1       7
+       3      10       4      13       7      11       6       5       6       4
+       3       2       1       1       7       3      10       4      12       7
+      12       5       4      10       8       4       7       3       6       4
+       1       3       2       1       1       7       3      10       4      12
+       7       8       5       4       3       1       1      10       3      14
+      11       6       5       8       5       4       7       4       3       6
+       3       7       3      10       4      14       7      10       7       6
+       3       2       1       2       1       7       3      10       4      13
+       7      12       6       5       9       5       4       7       4       3
+       8       3       6       5       2       1       2       1       1      10
+       3      14      11       6       5       8       5       4       7       4
+       3       6       3       7       3      10       4      12       7      12
+       5       4      10       8       4       6       3       5       3       3
+       2       1       1       7       3      10       4      11       7       7
+       4       3       2       1       7       3      10       4      13       7
+      11       6       5       6       4       3       2       1       1       7
+       3      10       4      10       7       6       3       2       1       7
+       3      10       4      11       7       7       4       3       2       1
+       7       3      10       4      13       7      10       6       5       8
+       3       2       4       3       2       1       1       7       3      10
+       4      13       7      10       6       5       8       3       2       4
+       3       2       1       1       7       3       7       4       7       4
+       3       7       3      10       4      13       7      15       6       5
+      10       8       7       3       2       1       3       2       1       1
+       7       3      10       4      13       7      15       6       5      10
+       8       7       3       2       1       3       2       1       1       7
+       3      10       4      14       7      10       7       6       3       2
+       1       2       1       7       3      10       4      12       7      10
+       5       4       5       3       2       1       1       7       3      10
+       4      13       7      15       6       5      10       8       7       3
+       2       1       3       2       1       1       7       3      10       4
+      10       7       6       3       2       1       7       3      10       4
+      12       7       8       5       4       3       1       1       7       3
+      10       4      13       7      12       6       5       9       5       4
+       7       4       3       8       3       6       5       2       1       2
+       1       1       7       3      10       4      13       7      11       6
+       5       6       4       3       2       1       1       7       3      10
+       4      13       7      15       6       5      10       8       7       3
+       2       1       3       2       1       1       7       3      10       4
+      16       7      12       9       8       3       2       1       4       2
+       1       1       7       3      10       4      12       7      11       5
+       4       8       6       5       3       3       2       1       1       7
+       3      10       4      13       7      10       6       5       8       3
+       2       4       3       2       1       1       7       3      10       4
+      16       7      15       9       8       3       2       1       7       5
+       4       3       2       1       1       7       3      10       4      12
+       7      10       5       4       5       3       2       1       1       7
+       3      10       4      12       7      12       5       4      11       7
+       4       7       3       8       7       4       6       3       4       3
+       2       1       1       7       3      10       4      10       7       6
+       3       2       1       7       3      10       4      13       7      12
+       6       5      10       5       4       9       5       4       6       5
+       4       3       2       1       1       7       3      10       4      13
+       7      12       6       5       9       5       4       7       4       3
+       8       3       6       5       2       1       2       1       1       7
+       3      10       4      16       7      12       9       8       3       2
+       1       4       2       1       1      10       3      14      11       6
+       5       8       5       4       7       4       3       6       3       7
+       3       7       4       7       4       3       7       3      10       4
+      12       7      12       5       4      10       8       4       6       3
+       5       3       3       2       1       1       7       3      10       4
+      16       7      12       9       8       3       2       1       4       2
+       1       1       7       3      10       4      12       7       8       5
+       4       3       1       1       7       3      10       4      13       7
+      15       6       5      10       8       7       3       2       1       3
+       2       1       1       7       3      10       4      14       7      10
+       7       6       3       2       1       2       1       7       3      10
+       4      13       7      15       6       5      10       8       7       3
+       2       1       3       2       1       1       7       3      10       4
+      12       7      11       5       4       8       6       5       3       3
+       2       1       1       7       3      10       4      12       7       8
+       5       4       3       1       1       7       3      10       4      13
+       7      11       6       5       8       4       3       4       3       2
+       1       1       7       3      10       4      16       7      12       9
+       8       3       2       1       4       2       1       1       7       3
+      10       4      12       7      11       5       4       8       6       5
+       3       3       2       1       1       7       3      10       4      13
+       7      15       6       5      10       8       7       3       2       1
+       3       2       1       1       7       3      10       4      13       7
+      15       6       5      10       8       7       3       2       1       3
+       2       1       1       7       3      10       4      13       7      11
+       6       5       6       4       3       2       1       1       7       3
+      10       4      11       7       7       4       3       2       1       7
+       3      10       4      10       7       6       3       2       1       7
+       3      10       4      12       7      12       5       4      11       7
+       4       7       3       8       7       4       6       3       4       3
+       2       1       1       7       3      10       4      13       7      15
+       6       5      10       8       7       3       2       1       3       2
+       1       1       7       3      10       4      13       7      11       6
+       5       6       4       3       2       1       1       7       3      10
+       4      16       7      15       9       8       3       2       1       7
+       5       4       3       2       1       1       7       3      10       4
+      13       7      15       6       5      10       8       7       3       2
+       1       3       2       1       1       7       3      10       4      13
+       7      10       6       5       8       3       2       4       3       2
+       1       1       7       3      10       4      16       7      15       9
+       8       3       2       1       7       5       4       3       2       1
+       1       7       3       7       4       7       4       3       7       3
+      10       4      13       7      15       6       5      10       8       7
+       3       2       1       3       2       1       1       7       3      10
+       4      16       7      12       9       8       3       2       1       4
+       2       1       1       7       3      10       4      12       7      12
+       5       4      11       7       4       7       3       8       7       4
+       6       3       4       3       2       1       1       7       3      10
+       4      13       7      12       6       5       9       5       4       7
+       4       3       8       3       6       5       2       1       2       1
+       1       7       3      10       4      11       7       7       4       3
+       2       1       7       3      10       4      13       7      10       6
+       5       8       3       2       4       3       2       1       1       7
+       3      10       4      13       7      11       6       5       6       4
+       3       2       1       1       7       3      10       4      12       7
+      11       5       4       8       6       5       3       3       2       1
+       1      10       3      14      11       6       5       8       5       4
+       7       4       3       6       3       7       3       7       4       7
+       4       3       7       3      10       4      13       7      12       6
+       5      10       5       4       9       5       4       6       5       4
+       3       2       1       1       7       3      10       4      13       7
+      15       6       5      10       8       7       3       2       1       3
+       2       1       1       7       3      10       4      13       7      15
+       6       5      10       8       7       3       2       1       3       2
+       1       1       7       3      10       4      12       7      12       5
+       4      10       8       4       6       3       5       3       3       2
+       1       1       7       3      10       4      10       7       6       3
+       2       1      10       3      14      11       6       5       8       5
+       4       7       4       3       6       3       7       3      10       4
+      12       7      10       5       4       5       3       2       1       1
+       7       3      10       4      13       7      15       6       5      10
+       8       7       3       2       1       3       2       1       1       7
+       3      10       4      13       7      15       6       5      10       8
+       7       3       2       1       3       2       1       1       7       3
+      10       4      13       7      15       6       5      10       8       7
+       3       2       1       3       2       1       1       7       3      10
+       4      12       7       8       5       4       3       1       1       7
+       3      10       4      13       7      12       6       5       9       5
+       4       7       4       3       8       3       6       5       2       1
+       2       1       1       7       3      10       4      12       7      10
+       5       4       5       3       2       1       1       7       3      10
+       4      13       7      11       6       5       8       4       3       4
+       3       2       1       1       7       3       7       4       7       4
+       3       7       3      10       4      13       7      12       6       5
+      10       5       4       9       5       4       6       5       4       3
+       2       1       1       7       3      10       4      11       7       7
+       4       3       2       1       7       3      10       4      16       7
+      12       9       8       3       2       1       4       2       1       1
+       7       3      10       4      13       7      11       6       5       6
+       4       3       2       1       1       7       3       7       4       7
+       4       3       7       3      10       4      13       7      10       6
+       5       8       3       2       4       3       2       1       1       7
+       3      10       4      16       7      12       9       8       3       2
+       1       4       2       1       1       7       3      10       4      13
+       7      11       6       5       6       4       3       2       1       1
+       7       3      10       4      16       7      15       9       8       3
+       2       1       7       5       4       3       2       1       1       7
+       3      10       4      12       7      12       5       4      10       8
+       4       6       3       5       3       3       2       1       1       7
+       3      10       4      12       7       8       5       4       3       1
+       1       7       3      10       4      13       7      10       6       5
+       8       3       2       4       3       2       1       1       7       3
+      10       4      13       7      15       6       5      10       8       7
+       3       2       1       3       2       1       1       7       3      10
+       4      13       7      15       6       5      10       8       7       3
+       2       1       3       2       1       1       7       3      10       4
+      10       7       6       3       2       1       7       3      10       4
+      14       7      10       7       6       3       2       1       2       1
+       7       3      10       4      11       7       7       4       3       2
+       1       7       3      10       4      11       7       7       4       3
+       2       1       7       3      10       4      13       7      12       6
+       5       9       5       4       7       4       3       8       3       6
+       5       2       1       2       1       1       7       3      10       4
+      12       7      12       5       4      10       8       4       6       3
+       5       3       3       2       1       1       7       3      10       4
+      13       7      12       6       5       9       5       4       7       4
+       3       8       3       6       5       2       1       2       1       1
+       7       3      10       4      13       7      10       6       5       8
+       3       2       4       3       2       1       1       7       3      10
+       4      13       7      10       6       5       8       3       2       4
+       3       2       1       1       7       3      10       4      12       7
+      10       5       4       5       3       2       1       1       7       3
+      10       4      13       7      15       6       5      10       8       7
+       3       2       1       3       2       1       1       7       3      10
+       4      13       7      11       6       5       8       4       3       4
+       3       2       1       1       7       3       7       4       7       4
+       3       7       3      10       4      13       7      11       6       5
+       6       4       3       2       1       1       7       3      10       4
+      13       7      11       6       5       6       4       3       2       1
+       1       7       3      10       4      12       7      12       5       4
+      10       8       4       6       3       5       3       3       2       1
+       1       7       3      10       4      16       7      12       9       8
+       3       2       1       4       2       1       1       7       3      10
+       4      11       7       7       4       3       2       1       7       3
+      10       4      13       7      15       6       5      10       8       7
+       3       2       1       3       2       1       1       7       3      10
+       4      13       7      12       6       5      10       5       4       9
+       5       4       6       5       4       3       2       1       1       7
+       3      10       4      11       7       7       4       3       2       1
+       7       3      10       4      16       7      15       9       8       3
+       2       1       7       5       4       3       2       1       1       7
+       3      10       4      16       7      15       9       8       3       2
+       1       7       5       4       3       2       1       1       7       3
+      10       4      13       7      15       6       5      10       8       7
+       3       2       1       3       2       1       1       7       3      10
+       4      13       7      15       6       5      10       8       7       3
+       2       1       3       2       1       1       7       3      10       4
+      12       7      10       5       4       5       3       2       1       1
+       7       3      10       4      11       7       7       4       3       2
+       1       7       3       7       4       7       4       3       7       3
+      10       4      16       7      12       9       8       3       2       1
+       4       2       1       1       7       3      10       4      12       7
+      12       5       4      10       8       4       7       3       6       4
+       1       3       2       1       1       7       3      10       4      14
+       7      10       7       6       3       2       1       2       1       7
+       3      10       4      12       7      12       5       4      10       8
+       4       6       3       5       3       3       2       1       1       7
+       3      10       4      13       7      15       6       5      10       8
+       7       3       2       1       3       2       1       1       7       3
+      10       4      11       7       7       4       3       2       1       7
+       3      10       4      11       7       7       4       3       2       1
+       7       3      10       4      14       7      10       7       6       3
+       2       1       2       1       7       3      10       4      13       7
+      15       6       5      10       8       7       3       2       1       3
+       2       1       1       7       3      10       4      13       7      12
+       6       5      10       5       4       9       5       4       6       5
+       4       3       2       1       1       7       3      10       4      11
+       7       7       4       3       2       1       7       3      10       4
+      13       7      15       6       5      10       8       7       3       2
+       1       3       2       1       1       7       3      10       4      13
+       7      11       6       5       6       4       3       2       1       1
+       7       3      10       4      13       7      11       6       5       6
+       4       3       2       1       1       7       3      10       4      13
+       7      12       6       5      10       5       4       9       5       4
+       6       5       4       3       2       1       1       7       3      10
+       4      12       7       8       5       4       3       1       1       7
+       3      10       4      12       7      11       5       4       8       6
+       5       3       3       2       1       1       7       3      10       4
+      16       7      15       9       8       3       2       1       7       5
+       4       3       2       1       1       7       3      10       4      12
+       7      11       5       4       8       6       5       3       3       2
+       1       1       7       3      10       4      13       7      12       6
+       5       9       5       4       7       4       3       8       3       6
+       5       2       1       2       1       1       7       3      10       4
+      16       7      12       9       8       3       2       1       4       2
+       1       1       7       3      10       4      13       7      15       6
+       5      10       8       7       3       2       1       3       2       1
+       1       7       3      10       4      12       7       8       5       4
+       3       1       1       7       3      10       4      13       7      12
+       6       5      10       5       4       9       5       4       6       5
+       4       3       2       1       1       7       3      10       4      16
+       7      15       9       8       3       2       1       7       5       4
+       3       2       1       1       7       3      10       4      14       7
+      10       7       6       3       2       1       2       1       7       3
+      10       4      12       7       8       5       4       3       1       1
+       7       3      10       4      14       7      10       7       6       3
+       2       1       2       1       7       3      10       4      13       7
+      15       6       5      10       8       7       3       2       1       3
+       2       1       1       7       3      10       4      16       7      15
+       9       8       3       2       1       7       5       4       3       2
+       1       1       7       3      10       4      12       7      11       5
+       4       8       6       5       3       3       2       1       1       7
+       3      10       4      13       7      15       6       5      10       8
+       7       3       2       1       3       2       1       1       7       3
+      10       4      13       7      10       6       5       8       3       2
+       4       3       2       1       1       7       3      10       4      10
+       7       6       3       2       1       7       3      10       4      13
+       7      12       6       5      10       5       4       9       5       4
+       6       5       4       3       2       1       1       7       3      10
+       4      10       7       6       3       2       1       7       3       7
+       4       7       4       3       7       3      10       4      13       7
+      15       6       5      10       8       7       3       2       1       3
+       2       1       1       7       3      10       4      14       7      10
+       7       6       3       2       1       2       1       7       3      10
+       4      13       7      15       6       5      10       8       7       3
+       2       1       3       2       1       1       7       3      10       4
+      13       7      11       6       5       8       4       3       4       3
+       2       1       1       7       3      10       4      13       7      11
+       6       5       8       4       3       4       3       2       1       1
+       7       3      10       4      13       7      11       6       5       8
+       4       3       4       3       2       1       1       7       3      10
+       4      12       7      11       5       4       8       6       5       3
+       3       2       1       1       7       3      10       4      13       7
+      11       6       5       8       4       3       4       3       2       1
+       1       7       3      10       4      13       7      12       6       5
+       9       5       4       7       4       3       8       3       6       5
+       2       1       2       1       1       7       3      10       4      13
+       7      15       6       5      10       8       7       3       2       1
+       3       2       1       1       7       3      10       4      10       7
+       6       3       2       1       7       3      10       4      13       7
+      11       6       5       8       4       3       4       3       2       1
+       1       7       3      10       4      13       7      15       6       5
+      10       8       7       3       2       1       3       2       1       1
+       7       3      10       4      13       7      15       6       5      10
+       8       7       3       2       1       3       2       1       1       7
+       3      10       4      13       7      15       6       5      10       8
+       7       3       2       1       3       2       1       1       7       3
+      10       4      16       7      15       9       8       3       2       1
+       7       5       4       3       2       1       1       7       3      10
+       4      13       7      15       6       5      10       8       7       3
+       2       1       3       2       1       1       7       3      10       4
+      11       7       7       4       3       2       1       7       3      10
+       4      12       7      11       5       4       8       6       5       3
+       3       2       1       1       7       3      10       4      16       7
+      15       9       8       3       2       1       7       5       4       3
+       2       1       1       7       3      10       4      13       7      12
+       6       5       9       5       4       7       4       3       8       3
+       6       5       2       1       2       1       1       7       3      10
+       4      12       7      11       5       4       8       6       5       3
+       3       2       1       1       7       3      10       4      13       7
+      10       6       5       8       3       2       4       3       2       1
+       1       7       3      10       4      11       7       7       4       3
+       2       1       7       3      10       4      12       7      10       5
+       4       5       3       2       1       1       7       3      10       4
+      13       7      12       6       5      10       5       4       9       5
+       4       6       5       4       3       2       1       1       7       3
+       7       4       7       4       3       7       3      10       4      13
+       7      10       6       5       8       3       2       4       3       2
+       1       1       7       3      10       4      13       7      11       6
+       5       6       4       3       2       1       1       7       3      10
+       4      12       7      11       5       4       8       6       5       3
+       3       2       1       1       7       3      10       4      13       7
+      15       6       5      10       8       7       3       2       1       3
+       2       1       1       7       3      10       4      12       7      12
+       5       4      10       8       4       7       3       6       4       1
+       3       2       1       1       7       3      10       4      11       7
+       7       4       3       2       1       7       3      10       4      13
+       7      10       6       5       8       3       2       4       3       2
+       1       1       7       3      10       4      13       7      12       6
+       5      10       5       4       9       5       4       6       5       4
+       3       2       1       1       7       3      10       4      11       7
+       7       4       3       2       1       7       3      10       4      13
+       7      12       6       5      10       5       4       9       5       4
+       6       5       4       3       2       1       1       7       3      10
+       4      12       7      10       5       4       5       3       2       1
+       1       7       3      10       4      16       7      12       9       8
+       3       2       1       4       2       1       1       7       3      10
+       4      16       7      12       9       8       3       2       1       4
+       2       1       1      10       3      14      11       6       5       8
+       5       4       7       4       3       6       3       7       3      10
+       4      12       7      12       5       4      10       8       4       7
+       3       6       4       1       3       2       1       1       7       3
+      10       4      12       7       8       5       4       3       1       1
+       7       3      10       4      13       7      15       6       5      10
+       8       7       3       2       1       3       2       1       1       7
+       3      10       4      13       7      15       6       5      10       8
+       7       3       2       1       3       2       1       1       7       3
+      10       4      13       7      15       6       5      10       8       7
+       3       2       1       3       2       1       1       7       3      10
+       4      13       7      11       6       5       6       4       3       2
+       1       1       7       3      10       4      13       7      10       6
+       5       8       3       2       4       3       2       1       1       7
+       3      10       4      13       7      15       6       5      10       8
+       7       3       2       1       3       2       1       1       7       3
+      10       4      12       7       8       5       4       3       1       1
+       7       3      10       4      10       7       6       3       2       1
+       7       3      10       4      10       7      11       5       4       8
+       6       5       3       3       2       1       1       2       1       1
+%FLAG NONBONDED_PARM_INDEX                                                      
+%FORMAT(10I8)                                                                   
+       1       2       4       7      11      16      22      29      37      46
+      56      67      79      92       2       3       5       8      12      17
+      23      30      38      47      57      68      80      93       4       5
+       6       9      13      18      24      31      39      48      58      69
+      81      94       7       8       9      10      14      19      25      32
+      40      49      59      70      82      95      11      12      13      14
+      15      20      26      33      41      50      60      71      83      96
+      16      17      18      19      20      21      27      34      42      51
+      61      72      84      97      22      23      24      25      26      27
+      28      35      43      52      62      73      85      98      29      30
+      31      32      33      34      35      36      44      53      63      74
+      86      99      37      38      39      40      41      42      43      44
+      45      54      64      75      87     100      46      47      48      49
+      50      51      52      53      54      55      65      76      88     101
+      56      57      58      59      60      61      62      63      64      65
+      66      77      89     102      67      68      69      70      71      72
+      73      74      75      76      77      78      90     103      79      80
+      81      82      83      84      85      86      87      88      89      90
+      91     104      92      93      94      95      96      97      98      99
+     100     101     102     103     104     105
+%FLAG RESIDUE_LABEL                                                             
+%FORMAT(20a4)                                                                   
+ALA LEU SER LEU THR ALA ASP GLN MET VAL SER ALA LEU LEU ASP ALA GLU PRO PRO ILE 
+LEU TYR SER GLU TYR ASP PRO THR ARG PRO PHE SER GLU ALA SER MET MET GLY LEU LEU 
+THR ASN LEU ALA ASP ARG GLU LEU VAL HIE MET ILE ASN TRP ALA LYS ARG VAL PRO GLY 
+PHE VAL ASP LEU THR LEU HIE ASP GLN VAL HIE LEU LEU GLU CYS ALA TRP LEU GLU ILE 
+LEU MET ILE GLY LEU VAL TRP ARG SER MET GLU HIE PRO GLY LYS LEU LEU PHE ALA PRO 
+ASN LEU LEU LEU ASP ARG ASN GLN GLY LYS CYS VAL GLU GLY MET VAL GLU ILE PHE ASP 
+MET LEU LEU ALA THR SER SER ARG PHE ARG MET MET ASN LEU GLN GLY GLU GLU PHE VAL 
+CYS LEU LYS SER ILE ILE LEU LEU ASN SER GLY VAL TYR THR PHE LEU SER SER THR LEU 
+LYS SER LEU GLU GLU LYS ASP HIE ILE HIE ARG VAL LEU ASP LYS ILE THR ASP THR LEU 
+ILE HIE LEU MET ALA LYS ALA GLY LEU THR LEU GLN GLN GLN HIE GLN ARG LEU ALA GLN 
+LEU LEU LEU ILE LEU SER HIE ILE ARG HIE MET SER ASN LYS GLY MET GLU HIE LEU TYR 
+SER MET LYS CYS LYS ASN VAL VAL PRO TYR ASP LEU LEU LEU GLU MET LEU ASP ALA HIE 
+%FLAG RESIDUE_POINTER                                                           
+%FORMAT(10I8)                                                                   
+       1      13      32      43      62      76      86      98     115     132
+     148     159     169     188     207     219     229     244     258     272
+     291     310     331     342     357     378     390     404     418     442
+     456     476     487     502     512     523     540     557     564     583
+     602     616     630     649     659     671     695     710     729     745
+     762     779     798     812     836     846     868     892     908     922
+     929     949     965     977     996    1010    1029    1046    1058    1075
+    1091    1108    1127    1146    1161    1172    1182    1206    1225    1240
+    1259    1278    1295    1314    1321    1340    1356    1380    1404    1415
+    1432    1447    1464    1478    1485    1507    1526    1545    1565    1575
+    1589    1603    1622    1641    1660    1672    1696    1710    1727    1734
+    1756    1767    1783    1798    1805    1822    1838    1853    1872    1892
+    1904    1921    1940    1959    1969    1983    1994    2005    2029    2049
+    2073    2090    2107    2121    2140    2157    2164    2179    2194    2214
+    2230    2241    2260    2282    2293    2312    2331    2350    2369    2383
+    2394    2401    2417    2438    2452    2472    2491    2502    2513    2527
+    2546    2568    2579    2598    2613    2628    2650    2662    2679    2698
+    2715    2739    2755    2774    2786    2808    2827    2841    2853    2867
+    2886    2905    2922    2941    2958    2968    2990    3000    3007    3026
+    3040    3059    3076    3093    3110    3127    3144    3168    3187    3197
+    3214    3233    3252    3271    3290    3309    3320    3337    3356    3380
+    3397    3414    3425    3439    3461    3468    3485    3500    3517    3536
+    3557    3568    3585    3607    3618    3640    3654    3670    3686    3700
+    3721    3733    3752    3771    3790    3805    3822    3841    3853    3863
+%FLAG BOND_FORCE_CONSTANT                                                       
+%FORMAT(5E16.8)                                                                 
+  5.70000000E+02  4.90000000E+02  3.40000000E+02  3.40000000E+02  3.10000000E+02
+  3.17000000E+02  4.34000000E+02  3.67000000E+02  3.40000000E+02  4.34000000E+02
+  3.37000000E+02  5.53000000E+02  3.20000000E+02  6.56000000E+02  2.27000000E+02
+  3.67000000E+02  4.69000000E+02  4.50000000E+02  4.69000000E+02  3.17000000E+02
+  4.34000000E+02  4.81000000E+02  3.37000000E+02  3.67000000E+02  4.34000000E+02
+  4.27000000E+02  3.67000000E+02  4.77000000E+02  4.88000000E+02  4.10000000E+02
+  5.18000000E+02  3.17000000E+02  4.69000000E+02  4.69000000E+02  4.47000000E+02
+  4.28000000E+02  5.46000000E+02  3.88000000E+02  3.17000000E+02  2.74000000E+02
+  2.37000000E+02
+%FLAG BOND_EQUIL_VALUE                                                          
+%FORMAT(5E16.8)                                                                 
+  1.22900000E+00  1.33500000E+00  1.09000000E+00  1.09000000E+00  1.52600000E+00
+  1.52200000E+00  1.01000000E+00  1.47100000E+00  1.09000000E+00  1.01000000E+00
+  1.44900000E+00  9.60000000E-01  1.41000000E+00  1.25000000E+00  1.81000000E+00
+  1.08000000E+00  1.40000000E+00  1.36400000E+00  1.40900000E+00  1.51000000E+00
+  1.01000000E+00  1.34000000E+00  1.46300000E+00  1.08000000E+00  1.01000000E+00
+  1.38100000E+00  1.08000000E+00  1.34300000E+00  1.33500000E+00  1.39400000E+00
+  1.37100000E+00  1.50400000E+00  1.40400000E+00  1.40000000E+00  1.41900000E+00
+  1.38000000E+00  1.35200000E+00  1.45900000E+00  1.49500000E+00  1.33600000E+00
+  1.81000000E+00
+%FLAG ANGLE_FORCE_CONSTANT                                                      
+%FORMAT(5E16.8)                                                                 
+  8.00000000E+01  5.00000000E+01  5.00000000E+01  3.50000000E+01  6.30000000E+01
+  5.00000000E+01  5.00000000E+01  5.00000000E+01  8.00000000E+01  7.00000000E+01
+  5.00000000E+01  3.50000000E+01  5.00000000E+01  8.00000000E+01  8.00000000E+01
+  4.00000000E+01  5.00000000E+01  5.00000000E+01  5.00000000E+01  5.00000000E+01
+  8.00000000E+01  6.30000000E+01  5.00000000E+01  3.50000000E+01  5.50000000E+01
+  5.00000000E+01  8.00000000E+01  5.00000000E+01  7.00000000E+01  3.50000000E+01
+  5.00000000E+01  6.20000000E+01  5.00000000E+01  5.00000000E+01  5.00000000E+01
+  7.00000000E+01  5.00000000E+01  5.00000000E+01  6.30000000E+01  6.30000000E+01
+  6.30000000E+01  5.00000000E+01  7.00000000E+01  6.30000000E+01  3.50000000E+01
+  7.00000000E+01  5.00000000E+01  5.00000000E+01  5.00000000E+01  5.00000000E+01
+  8.00000000E+01  5.00000000E+01  5.00000000E+01  5.00000000E+01  5.00000000E+01
+  7.00000000E+01  7.00000000E+01  5.00000000E+01  7.00000000E+01  7.00000000E+01
+  7.00000000E+01  5.00000000E+01  5.00000000E+01  7.00000000E+01  7.00000000E+01
+  6.30000000E+01  5.00000000E+01  6.30000000E+01  6.30000000E+01  5.00000000E+01
+  6.30000000E+01  6.30000000E+01  5.00000000E+01  7.00000000E+01  7.00000000E+01
+  6.30000000E+01  7.00000000E+01  5.00000000E+01  7.00000000E+01  6.30000000E+01
+  6.30000000E+01  5.00000000E+01  7.00000000E+01  7.00000000E+01  6.30000000E+01
+  3.50000000E+01  5.00000000E+01  4.30000000E+01  5.00000000E+01
+%FLAG ANGLE_EQUIL_VALUE                                                         
+%FORMAT(5E16.8)                                                                 
+  2.14501057E+00  2.09439600E+00  2.12755727E+00  1.91113635E+00  1.93906163E+00
+  1.91113635E+00  1.91113635E+00  1.91113635E+00  2.10137732E+00  2.03505478E+00
+  1.91113635E+00  1.91113635E+00  1.91113635E+00  1.94080696E+00  1.94080696E+00
+  1.91113635E+00  1.91113635E+00  1.91113635E+00  2.06018753E+00  1.91113635E+00
+  1.91462701E+00  1.92160833E+00  1.91113635E+00  1.91113635E+00  1.89368305E+00
+  1.91113635E+00  2.19911580E+00  1.91113635E+00  2.04203610E+00  2.09439600E+00
+  1.91113635E+00  1.72613137E+00  2.00189351E+00  2.05948940E+00  2.09439600E+00
+  2.09439600E+00  1.97222290E+00  2.09439600E+00  2.09439600E+00  2.09439600E+00
+  2.09439600E+00  1.91113635E+00  2.09439600E+00  1.98967620E+00  2.09439600E+00
+  2.09439600E+00  2.09439600E+00  1.91113635E+00  2.06647072E+00  2.15024656E+00
+  1.94080696E+00  2.09439600E+00  2.09439600E+00  2.09439600E+00  2.09439600E+00
+  2.09439600E+00  2.09439600E+00  2.09439600E+00  2.09439600E+00  2.04203610E+00
+  2.09439600E+00  2.09439600E+00  1.91113635E+00  2.09439600E+00  2.09439600E+00
+  1.97396823E+00  2.09439600E+00  2.09439600E+00  2.14151991E+00  2.09439600E+00
+  2.09439600E+00  2.02807346E+00  2.14850123E+00  2.31779824E+00  1.82212452E+00
+  1.85703112E+00  1.94778828E+00  2.09439600E+00  1.89717371E+00  1.89891904E+00
+  2.35445017E+00  1.91113635E+00  2.18166250E+00  2.24449438E+00  2.01760148E+00
+  1.91113635E+00  1.91113635E+00  1.67551680E+00  1.89542838E+00
+%FLAG DIHEDRAL_FORCE_CONSTANT                                                   
+%FORMAT(5E16.8)                                                                 
+  2.00000000E+00  2.50000000E+00  0.00000000E+00  2.00000000E+00  4.00000000E-01
+  0.00000000E+00  0.00000000E+00  2.70000000E-01  4.20000000E-01  1.55555556E-01
+  2.00000000E-01  2.00000000E-01  1.60000000E-01  1.50000000E-01  8.00000000E-01
+  8.00000000E-02  2.00000000E-01  2.50000000E-01  1.80000000E-01  4.50000000E-01
+  1.58000000E+00  5.50000000E-01  1.66666667E-01  2.50000000E-01  0.00000000E+00
+  3.33333333E-01  3.62500000E+00  2.30000000E+00  2.40000000E+00  1.50000000E+00
+  2.32500000E+00  5.37500000E+00  5.00000000E+00  3.00000000E+00  3.50000000E+00
+  1.52500000E+00  6.52500000E+00  1.67500000E+00  2.50000000E-01  1.05000000E+01
+  1.10000000E+00  1.00000000E+00
+%FLAG DIHEDRAL_PERIODICITY                                                      
+%FORMAT(5E16.8)                                                                 
+  1.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  3.00000000E+00
+  4.00000000E+00  1.00000000E+00  2.00000000E+00  3.00000000E+00  3.00000000E+00
+  1.00000000E+00  2.00000000E+00  3.00000000E+00  3.00000000E+00  1.00000000E+00
+  3.00000000E+00  1.00000000E+00  2.00000000E+00  3.00000000E+00  1.00000000E+00
+  2.00000000E+00  3.00000000E+00  3.00000000E+00  1.00000000E+00  3.00000000E+00
+  3.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
+  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00  2.00000000E+00
+  2.00000000E+00  2.00000000E+00  2.00000000E+00  3.00000000E+00  2.00000000E+00
+  2.00000000E+00  2.00000000E+00
+%FLAG DIHEDRAL_PHASE                                                            
+%FORMAT(5E16.8)                                                                 
+  0.00000000E+00  3.14159400E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  3.14159400E+00  3.14159400E+00  3.14159400E+00  0.00000000E+00  3.14159400E+00
+  3.14159400E+00  3.14159400E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00
+  3.14159400E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00  3.14159400E+00
+  3.14159400E+00  3.14159400E+00  3.14159400E+00  0.00000000E+00  3.14159400E+00
+  3.14159400E+00  3.14159400E+00
+%FLAG SOLTY                                                                     
+%FORMAT(5E16.8)                                                                 
+  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00  0.00000000E+00  0.00000000E+00
+%FLAG LENNARD_JONES_ACOEF                                                       
+%FORMAT(5E16.8)                                                                 
+  9.44293233E+05  2.12601181E+03  1.39982777E-01  9.95480466E+05  2.56678134E+03
+  1.04308023E+06  2.01791425E+04  9.14716912E+00  2.27401052E+04  2.01823541E+02
+  8.96776989E+04  1.07193646E+02  9.71708117E+04  1.41077189E+03  7.51607703E+03
+  8.82619071E+05  2.27577561E+03  9.24822270E+05  2.01619733E+04  8.61541883E+04
+  8.19971662E+05  6.06829342E+05  1.02595236E+03  6.47841731E+05  1.12780457E+04
+  5.44261042E+04  5.74393458E+05  3.79876399E+05  6.20665997E+04  5.94667300E+01
+  6.78771368E+04  8.79040886E+02  4.98586848E+03  6.01816484E+04  3.69471530E+04
+  3.25969625E+03  7.44975864E+05  1.40467023E+03  7.91544157E+05  1.45985502E+04
+  6.82786631E+04  7.01803794E+05  4.71003287E+05  4.66922514E+04  5.81803229E+05
+  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  2.01562190E+06  5.97860700E+03  2.09861767E+06  4.93469320E+04  2.02461849E+05
+  1.86068943E+06  1.32911052E+06  1.42791446E+05  1.61587928E+06  0.00000000E+00
+  4.19430400E+06  7.91627154E+04  8.90987508E+01  8.59947003E+04  1.21014911E+03
+  6.55825601E+03  7.62451550E+04  4.77908183E+04  4.33325458E+03  6.00750218E+04
+  0.00000000E+00  1.79647996E+05  5.71629601E+03  5.46147253E+04  4.90239937E+01
+  5.98885646E+04  7.50063100E+02  4.33325458E+03  5.30987710E+04  3.23283631E+04
+  2.82099197E+03  4.09427581E+04  0.00000000E+00  1.26338489E+05  3.76169105E+03
+  2.43828624E+03  6.58473870E+04  6.63368273E+01  7.18621074E+04  9.55000044E+02
+  5.34045360E+03  6.37148278E+04  3.93690817E+04  3.50301067E+03  4.96707306E+04
+  0.00000000E+00  1.50848032E+05  4.64559155E+03  3.03448006E+03  3.76169105E+03
+%FLAG LENNARD_JONES_BCOEF                                                       
+%FORMAT(5E16.8)                                                                 
+  8.01323529E+02  2.09604198E+01  9.37598976E-02  7.36907417E+02  2.06278363E+01
+  6.75612247E+02  6.45756063E+01  7.57919667E-01  6.13981767E+01  3.56012899E+00
+  1.36131731E+02  2.59456373E+00  1.26919150E+02  9.41257003E+00  2.17257828E+01
+  6.53361429E+02  1.82891803E+01  5.99015525E+02  5.44372326E+01  1.12529845E+02
+  5.31102864E+02  6.77220874E+02  1.53505284E+01  6.26720080E+02  5.08951803E+01
+  1.11805549E+02  5.55666448E+02  5.64885984E+02  1.13252061E+02  1.93248820E+00
+  1.06076943E+02  7.42992380E+00  1.76949863E+01  9.40505980E+01  9.21192136E+01
+  1.43076527E+01  7.50714425E+02  1.79702257E+01  6.93079947E+02  5.79323581E+01
+  1.25287818E+02  6.14502845E+02  6.29300710E+02  1.03606917E+02  6.99746810E+02
+  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
+  1.28923404E+03  3.87070358E+01  1.17824605E+03  1.11203892E+02  2.25248294E+02
+  1.04466382E+03  1.10369829E+03  1.89165096E+02  1.21753341E+03  0.00000000E+00
+  2.04800000E+03  1.26451907E+02  2.33864085E+00  1.18043746E+02  8.61880722E+00
+  2.00642027E+01  1.04660679E+02  1.03580945E+02  1.63092814E+01  1.16187983E+02
+  0.00000000E+00  2.09772716E+02  1.85196588E+01  1.05031585E+02  1.73473071E+00
+  9.85097219E+01  6.78541827E+00  1.63092814E+01  8.73413012E+01  8.51921330E+01
+  1.31591746E+01  9.59185913E+01  0.00000000E+00  1.75916126E+02  1.50233639E+01
+  1.20953369E+01  1.15327881E+02  2.01792524E+00  1.07908863E+02  7.65648470E+00
+  1.81057616E+01  9.56748258E+01  9.40124296E+01  1.46638650E+01  1.05648788E+02
+  0.00000000E+00  1.92224012E+02  1.66953734E+01  1.34932874E+01  1.50233639E+01
+%FLAG BONDS_INC_HYDROGEN                                                        
+%FORMAT(10I8)                                                                   
+      18      21       3      18      24       3      18      27       3      12
+      15       4       0       3       7       0       6       7       0       9
+       7      75      78       3      75      81       3      75      84       3
+      63      66       3      63      69       3      63      72       3      57
+      60       3      48      51       3      48      54       3      42      45
+       9      36      39      10     114     117      12     105     108       9
+     105     111       9      99     102       9      93      96      10     165
+     168       3     165     171       3     165     174       3     153     156
+       3     153     159       3     153     162       3     147     150       3
+     138     141       3     138     144       3     132     135       9     126
+     129      10     213     216      12     201     204       3     201     207
+       3     201     210       3     195     198       9     189     192       9
+     183     186      10     237     240       3     237     243       3     237
+     246       3     231     234       9     225     228      10     267     270
+       3     267     273       3     261     264       9     255     258      10
+     327     330      10     327     333      10     312     315       3     312
+     318       3     303     306       3     303     309       3     297     300
+       9     291     294      10     375     378       9     375     381       9
+     375     384       9     363     366       9     363     369       9     354
+     357       3     354     360       3     348     351       9     342     345
+      10     423     426       3     423     429       3     423     432       3
+     411     414       3     411     417       3     411     420       3     405
+     408       3     399     402       9     393     396      10     462     465
+      12     453     456       9     453     459       9     447     450       9
+     441     444      10     486     489       3     486     492       3     486
+     495       3     480     483       9     474     477      10     543     546
+       3     543     549       3     543     552       3     531     534       3
+     531     537       3     531     540       3     525     528       3     516
+     519       3     516     522       3     510     513       9     504     507
+      10     600     603       3     600     606       3     600     609       3
+     588     591       3     588     594       3     588     597       3     582
+     585       3     573     576       3     573     579       3     567     570
+       9     561     564      10     630     633       3     630     636       3
+     624     627       9     618     621      10     666     669       3     666
+     672       3     666     675       3     660     663       9     654     657
+      10     705     708       3     705     711       3     696     699       3
+     696     702       3     690     693       9     684     687      10     759
+     762       9     750     753       3     750     756       3     741     744
+       3     741     747       3     732     735       9     732     738       9
+     801     804       9     792     795       3     792     798       3     783
+     786       3     783     789       3     774     777       9     774     780
+       9     852     855       3     852     858       3     852     861       3
+     843     846       3     843     849       3     831     834       3     831
+     837       3     831     840       3     825     828       3     819     822
+       9     813     816      10     909     912       3     909     915       3
+     909     918       3     897     900       3     897     903       3     897
+     906       3     891     894       3     882     885       3     882     888
+       3     876     879       9     870     873      10     978     981      16
+     972     975      16     966     969      12     957     960      16     951
+     954      16     939     942       3     939     945       3     933     936
+       9     927     930      10    1011    1014      12    1002    1005       9
+    1002    1008       9     996     999       9     990     993      10    1044
+    1047       3    1044    1050       3    1035    1038       3    1035    1041
+       3    1029    1032       9    1023    1026      10    1119    1122      16
+    1113    1116      16    1107    1110      12    1098    1101      16    1092
+    1095      16    1080    1083       3    1080    1086       3    1074    1077
+       9    1068    1071      10    1143    1146       3    1143    1149       3
+    1137    1140       9    1131    1134      10    1197    1200       9    1188
+    1191       3    1188    1194       3    1179    1182       3    1179    1185
+       3    1170    1173       9    1170    1176       9    1239    1242      12
+    1227    1230       3    1227    1233       3    1227    1236       3    1221
+    1224       9    1215    1218       9    1209    1212      10    1308    1311
+      21    1308    1314      21    1299    1302      21    1299    1305      21
+    1290    1293      21    1281    1284       9    1281    1287       9    1272
+    1275       3    1272    1278       3    1263    1266       3    1263    1269
+       3    1257    1260       9    1251    1254      10    1353    1356       9
+    1344    1347       3    1344    1350       3    1335    1338       3    1335
+    1341       3    1326    1329       9    1326    1332       9    1413    1416
+      16    1407    1410      16    1401    1404      16    1395    1398      16
+    1389    1392      16    1377    1380       3    1377    1383       3    1371
+    1374       9    1365    1368      10    1446    1449      12    1437    1440
+       9    1437    1443       9    1431    1434       9    1425    1428      10
+    1479    1482       3    1479    1485       3    1470    1473       3    1470
+    1476       3    1464    1467       9    1458    1461      10    1515    1518
+       3    1515    1521       3    1515    1524       3    1509    1512       9
+    1503    1506      10    1554    1557      12    1545    1548       9    1545
+    1551       9    1539    1542       9    1533    1536      10    1599    1602
+       9    1599    1605       9    1599    1608       9    1587    1590       9
+    1587    1593       9    1578    1581       3    1578    1584       3    1572
+    1575       9    1566    1569      10    1650    1653       9    1650    1656
+       9    1650    1659       9    1638    1641       9    1638    1644       9
+    1629    1632       3    1629    1635       3    1623    1626       9    1617
+    1620      10    1674    1677       9    1674    1680       9    1668    1671
+      10    1728    1731       3    1728    1734       3    1728    1737       3
+    1716    1719       3    1716    1722       3    1716    1725       3    1710
+    1713       3    1701    1704       3    1701    1707       3    1695    1698
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+%FLAG BONDS_WITHOUT_HYDROGEN                                                    
+%FORMAT(10I8)                                                                   
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+    7695    7698       1    7695    7701       2    7674    7683       8    7665
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+    7740    7746       5    7740    7785       6    7734    7740      11    7830
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+    7977    7980       1    7977    7983       2    7968    7971      14    7968
+    7974      14    7959    7968       6    7953    7959       5    7953    7977
+       6    7947    7953      11    8028    8031       1    8028    8034       2
+    8016    8022      26    8010    8016      28    8007    8010      29    8004
+    8007      30    8004    8022      31    7995    8004      32    7989    7995
+       5    7989    8028       6    7983    7989      11    8085    8088       1
+    8085    8091       2    8064    8073       5    8046    8052       5    8046
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+    8118    8124      28    8115    8118      29    8112    8115      30    8112
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+   10020   10026       5   10020   10038       5   10014   10020       5   10014
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+   10374   10380       2   10353   10362       8   10344   10353       5   10335
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+       6   10314   10320      11   10395   10398       1   10395   10401       2
+   10386   10395       6   10380   10386      11   10446   10449       1   10446
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+   10491   10494       1   10491   10497       2   10482   10485      14   10482
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+   10542   10548       2   10530   10536      26   10524   10530      28   10521
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+   10599   10602       1   10599   10605       2   10569   10575       5   10569
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+   10605   10611      11   10695   10698       1   10695   10701       2   10680
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+   10722   10731      15   10713   10722       5   10707   10713       5   10707
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+   10911   10914       1   10911   10917       2   10890   10899       8   10881
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+   10971   10989       5   10965   10971       5   10965   11001       6   10959
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+   11007   11013      11   11091   11094       1   11091   11097       2   11085
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+       5   11055   11058      11   11055   11085      11   11154   11157       1
+   11154   11160       2   11142   11148      17   11133   11136      18   11133
+   11142      19   11127   11133      19   11121   11127      17   11118   11121
+      17   11118   11148      17   11109   11118      20   11103   11109       5
+   11103   11154       6   11097   11103      11   11190   11193       1   11190
+   11196       2   11181   11184      14   11181   11187      14   11172   11181
+       6   11166   11172       5   11166   11190       6   11160   11166      11
+   11247   11250       1   11247   11253       2   11217   11223       5   11217
+   11235       5   11208   11217       5   11202   11208       5   11202   11247
+       6   11196   11202      11   11304   11307       1   11304   11310       2
+   11274   11280       5   11274   11292       5   11265   11274       5   11259
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+       1   11361   11367       2   11331   11337       5   11331   11349       5
+   11322   11331       5   11316   11322       5   11316   11361       6   11310
+   11316      11   11406   11409       1   11406   11412       2   11397   11400
+      14   11397   11403      14   11388   11397       6   11379   11388       5
+   11373   11379       5   11373   11406       6   11367   11373      11   11457
+   11460       1   11457   11463       2   11442   11445      15   11433   11442
+      15   11424   11433       5   11418   11424       5   11418   11457       6
+   11412   11418      11   11514   11517       1   11514   11520       2   11484
+   11490       5   11484   11502       5   11475   11484       5   11469   11475
+       5   11469   11514       6   11463   11469      11   11550   11553       1
+   11550   11556       2   11541   11544      14   11541   11547      14   11532
+   11541       6   11526   11532       5   11526   11550       6   11520   11526
+      11   11580   11583       1   11580   11586       2   11562   11568       5
+   11562   11580       6   11556   11562      11   11631   11634      14   11631
+   11637      14   11619   11625      26   11613   11619      28   11610   11613
+      29   11607   11610      30   11607   11625      31   11598   11607      32
+   11592   11598       5   11592   11631       6   11586   11592      11
+%FLAG ANGLES_INC_HYDROGEN                                                       
+%FORMAT(10I8)                                                                   
+      30      36      39       2      24      18      27       4      21      18
+      24       4      21      18      27       4      15      12      18       6
+      15      12      30       7      12      18      21       8      12      18
+      24       8      12      18      27       8       9       0      12      11
+       6       0       9      12       6       0      12      11       3       0
+       6      12       3       0       9      12       3       0      12      11
+       0      12      15      13      87      93      96       2      81      75
+      84       4      78      75      81       4      78      75      84       4
+      69      63      72       4      66      63      69       4      66      63
+      72       4      60      57      63       8      60      57      75       8
+      57      63      66       8      57      63      69       8      57      63
+      72       8      57      75      78       8      57      75      81       8
+      57      75      84       8      54      48      57       8      51      48
+      54       4      51      48      57       8      48      57      60       8
+      45      42      48      17      45      42      87      18      42      48
+      51       8      42      48      54       8      39      36      42      19
+      36      42      45      20     120     126     129       2     111     105
+     114      23     108     105     111      24     108     105     114      23
+     105     114     117      25     102      99     105      17     102      99
+     120      18      99     105     108      17      99     105     111      17
+      96      93      99      19      93      99     102      20     177     183
+     186       2     171     165     174       4     168     165     171       4
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+   10803   10800   10809      12   10797   10791   10800      13   10794   10791
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+   10791   10800   10806      11   10791   10800   10809      11   10788   10782
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+   10782   10791   10794       6   10782   10791   10797       6   10779   10773
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+   10833   10830   10836      24   10833   10830   10839      87   10830   10839
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+   10824   10830   10833      17   10824   10830   10836      17   10821   10818
+   10824      19   10818   10824   10827      20   10911   10917   10920       2
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+   10893       6   10881   10890   10896       6   10878   10872   10881       8
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+   10929      17   10926   10923   10953      18   10923   10929   10932       8
+   10923   10929   10935       8   10920   10917   10923      19   10917   10923
+   10926      20   11001   11007   11010       2   10995   10989   10998       4
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+   11070   11067   11076       8   11067   11076   11079       8   11067   11076
+   11082       8   11064   11058   11067      17   11061   11058   11064      24
+   11061   11058   11067      17   11058   11067   11070       8   11058   11067
+   11073       8   11055   11058   11061      20   11055   11058   11064      20
+   11055   11085   11088      20   11154   11160   11163       2   11145   11142
+   11148      35   11142   11148   11151      35   11133   11136   11139      37
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+   11241       4   11238   11235   11244       4   11229   11223   11232       4
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+   11217   11223   11229       8   11217   11223   11232       8   11217   11235
+   11238       8   11217   11235   11241       8   11217   11235   11244       8
+   11214   11208   11217       8   11211   11208   11214       4   11211   11208
+   11217       8   11208   11217   11220       8   11205   11202   11208      17
+   11205   11202   11247      18   11202   11208   11211       8   11202   11208
+   11214       8   11199   11196   11202      19   11196   11202   11205      20
+   11304   11310   11313       2   11298   11292   11301       4   11295   11292
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+   11283   11280   11286       4   11283   11280   11289       4   11277   11274
+   11280       8   11277   11274   11292       8   11274   11280   11283       8
+   11274   11280   11286       8   11274   11280   11289       8   11274   11292
+   11295       8   11274   11292   11298       8   11274   11292   11301       8
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+   11262   11259   11304      18   11259   11265   11268       8   11259   11265
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+   11352       8   11331   11349   11355       8   11331   11349   11358       8
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+   11319   11316   11361      18   11316   11322   11325       8   11316   11322
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+   11451      24   11448   11445   11454      24   11442   11445   11448      31
+   11442   11445   11451      31   11442   11445   11454      31   11439   11433
+   11442      31   11436   11433   11439      24   11436   11433   11442      31
+   11430   11424   11433       8   11427   11424   11430       4   11427   11424
+   11433       8   11424   11433   11436      17   11424   11433   11439      17
+   11421   11418   11424      17   11421   11418   11457      18   11418   11424
+   11427       8   11418   11424   11430       8   11415   11412   11418      19
+   11412   11418   11421      20   11514   11520   11523       2   11508   11502
+   11511       4   11505   11502   11508       4   11505   11502   11511       4
+   11496   11490   11499       4   11493   11490   11496       4   11493   11490
+   11499       4   11487   11484   11490       8   11487   11484   11502       8
+   11484   11490   11493       8   11484   11490   11496       8   11484   11490
+   11499       8   11484   11502   11505       8   11484   11502   11508       8
+   11484   11502   11511       8   11481   11475   11484       8   11478   11475
+   11481       4   11478   11475   11484       8   11475   11484   11487       8
+   11472   11469   11475      17   11472   11469   11514      18   11469   11475
+   11478       8   11469   11475   11481       8   11466   11463   11469      19
+   11463   11469   11472      20   11550   11556   11559       2   11538   11532
+   11541      28   11535   11532   11538       4   11535   11532   11541      28
+   11529   11526   11532      17   11529   11526   11550      18   11526   11532
+   11535       8   11526   11532   11538       8   11523   11520   11526      19
+   11520   11526   11529      20   11580   11586   11589       2   11574   11568
+   11577       4   11571   11568   11574       4   11571   11568   11577       4
+   11565   11562   11568      17   11565   11562   11580      18   11562   11568
+   11571       8   11562   11568   11574       8   11562   11568   11577       8
+   11559   11556   11562      19   11556   11562   11565      20   11622   11619
+   11625      52   11619   11625   11628      53   11616   11613   11619      54
+   11613   11619   11622      55   11610   11613   11616      58   11607   11625
+   11628      62   11604   11598   11607      63   11601   11598   11604       4
+   11601   11598   11607      63   11595   11592   11598      17   11595   11592
+   11631      18   11592   11598   11601       8   11592   11598   11604       8
+   11589   11586   11592      19   11586   11592   11595      20
+%FLAG ANGLES_WITHOUT_HYDROGEN                                                   
+%FORMAT(10I8)                                                                   
+      33      30      36       1      30      36      42       3      18      12
+      30       5      12      30      33       9      12      30      36      10
+       0      12      18      14       0      12      30      15      90      87
+      93       1      87      93      99       3      63      57      75      16
+      48      42      87       5      48      57      63      16      48      57
+      75      16      42      48      57      16      42      87      90       9
+      42      87      93      10      36      42      48      21      36      42
+      87      22     123     120     126       1     120     126     132       3
+     105      99     120       5      99     105     114      26      99     120
+     123       9      99     120     126      10      93      99     105      21
+      93      99     120      22     180     177     183       1     177     183
+     189       3     153     147     165      16     138     132     177       5
+     138     147     153      16     138     147     165      16     132     138
+     147      16     132     177     180       9     132     177     183      10
+     126     132     138      21     126     132     177      22     222     219
+     225       1     219     225     231       3     201     195     213      26
+     195     189     219       5     189     195     201      16     189     195
+     213      26     189     219     222       9     189     219     225      10
+     183     189     195      21     183     189     219      22     252     249
+     255       1     249     255     261       3     237     231     249       5
+     231     249     252       9     231     249     255      10     225     231
+     237      21     225     231     249      22     288     285     291       1
+     285     291     297       3     279     276     282      27     267     261
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+     261     267     276       5     261     285     288       9     261     285
+     291      10     255     261     267      21     255     261     285      22
+     339     336     342       1     336     342     348       3     324     321
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+     303     297     336       5     303     312     321       5     297     303
+     312      16     297     336     339       9     297     336     342      10
+     291     297     303      21     291     297     336      22     390     387
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+     501     498     504       1     498     504     510       3     486     480
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+     567     612     615       9     567     612     618      10     561     567
+     573      21     561     567     612      22     651     648     654       1
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+     624     630     639       5     624     648     651       9     624     648
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+     681     678     684       1     678     684     690       3     666     660
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+     717     714     720      27     705     714     717      29     705     714
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+     768     765     771       1     765     771     774       3     765     771
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+     729     759     750      21     729     759     765      22     810     807
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+     801     807     813      10     792     801     807       5     783     792
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+     771     774     783      21     771     801     792      21     771     801
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+     939     933     984       5     939     948     951      43     939     948
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+     933     984     990      10     927     933     939      21     927     933
+     984      22    1020    1017    1023       1    1017    1023    1029       3
+    1002     996    1017       5     996    1002    1011      26     996    1017
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+     990     996    1017      22    1065    1062    1068       1    1062    1068
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+    1107    1104    1113      36    1104    1113    1119      39    1098    1104
+    1107      36    1098    1104    1113      40    1092    1089    1119      41
+    1092    1098    1104      39    1089    1092    1098      41    1089    1119
+    1113      41    1080    1074    1125       5    1080    1089    1092      43
+    1080    1089    1119      43    1074    1080    1089      44    1074    1125
+    1128       9    1074    1125    1131      10    1068    1074    1080      21
+    1068    1074    1125      22    1164    1161    1167       1    1161    1167
+    1170       3    1161    1167    1197       3    1155    1152    1158      27
+    1143    1137    1161       5    1143    1152    1155      29    1143    1152
+    1158      29    1137    1143    1152       5    1137    1161    1164       9
+    1137    1161    1167      10    1131    1137    1143      21    1131    1137
+    1161      22    1206    1203    1209       1    1203    1209    1215       3
+    1197    1203    1206       9    1197    1203    1209      10    1188    1197
+    1203       5    1179    1188    1197      16    1170    1167    1197      34
+    1170    1179    1188      16    1167    1170    1179      21    1167    1197
+    1188      21    1167    1197    1203      22    1248    1245    1251       1
+    1245    1251    1257       3    1227    1221    1239      26    1221    1215
+    1245       5    1215    1221    1227      16    1215    1221    1239      26
+    1215    1245    1248       9    1215    1245    1251      10    1209    1215
+    1221      21    1209    1215    1245      22    1320    1317    1323       1
+    1317    1323    1326       3    1317    1323    1353       3    1299    1296
+    1308      46    1290    1296    1299      46    1290    1296    1308      46
+    1281    1290    1296      50    1272    1281    1290      51    1263    1257
+    1317       5    1263    1272    1281      16    1257    1263    1272      16
+    1257    1317    1320       9    1257    1317    1323      10    1251    1257
+    1263      21    1251    1257    1317      22    1362    1359    1365       1
+    1359    1365    1371       3    1353    1359    1362       9    1353    1359
+    1365      10    1344    1353    1359       5    1335    1344    1353      16
+    1326    1323    1353      34    1326    1335    1344      16    1323    1326
+    1335      21    1323    1353    1344      21    1323    1353    1359      22
+    1422    1419    1425       1    1419    1425    1431       3    1401    1407
+    1413      41    1395    1401    1407      41    1389    1386    1413      41
+    1389    1395    1401      41    1386    1389    1395      41    1386    1413
+    1407      41    1377    1371    1419       5    1377    1386    1389      43
+    1377    1386    1413      43    1371    1377    1386      44    1371    1419
+    1422       9    1371    1419    1425      10    1365    1371    1377      21
+    1365    1371    1419      22    1455    1452    1458       1    1452    1458
+    1464       3    1437    1431    1452       5    1431    1437    1446      26
+    1431    1452    1455       9    1431    1452    1458      10    1425    1431
+    1437      21    1425    1431    1452      22    1500    1497    1503       1
+    1497    1503    1509       3    1491    1488    1494      27    1479    1488
+    1491      29    1479    1488    1494      29    1470    1464    1497       5
+    1470    1479    1488       5    1464    1470    1479      16    1464    1497
+    1500       9    1464    1497    1503      10    1458    1464    1470      21
+    1458    1464    1497      22    1530    1527    1533       1    1527    1533
+    1539       3    1515    1509    1527       5    1509    1527    1530       9
+    1509    1527    1533      10    1503    1509    1515      21    1503    1509
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+%FLAG DIHEDRALS_INC_HYDROGEN                                                    
+%FORMAT(10I8)                                                                   
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+%FLAG DIHEDRALS_WITHOUT_HYDROGEN                                                
+%FORMAT(10I8)                                                                   
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+%FLAG EXCLUDED_ATOMS_LIST                                                       
+%FORMAT(10I8)                                                                   
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+%FLAG HBOND_ACOEF                                                               
+%FORMAT(5E16.8)                                                                 
+
+%FLAG HBOND_BCOEF                                                               
+%FORMAT(5E16.8)                                                                 
+
+%FLAG HBCUT                                                                     
+%FORMAT(5E16.8)                                                                 
+
+%FLAG AMBER_ATOM_TYPE                                                           
+%FORMAT(20a4)                                                                   
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+H1  H1  C   O   N   H   CT  H1  CT  HC  HC  CT  HC  HC  CT  HC  HC  CT  HP  HP  
+N3  H   H   H   C   O   N   H   CT  H1  CT  H1  H1  SH  HS  C   O   N   H   CT  
+H1  CT  HC  HC  CT  HC  HC  CT  HC  HC  CT  HP  HP  N3  H   H   H   C   O   N   
+H   CT  H1  CT  HC  HC  C   O   N   H   H   C   O   N   H   CT  H1  CT  HC  CT  
+HC  HC  HC  CT  HC  HC  HC  C   O   N   H   CT  H1  CT  HC  CT  HC  HC  HC  CT  
+HC  HC  HC  C   O   N   CT  H1  H1  CT  HC  HC  CT  HC  HC  CT  H1  C   O   N   
+H   CT  H1  CT  HC  HC  CA  CA  HA  CA  HA  C   OH  HO  CA  HA  CA  HA  C   O   
+N   H   CT  H1  CT  HC  HC  C   O2  O2  C   O   N   H   CT  H1  CT  HC  HC  CT  
+HC  CT  HC  HC  HC  CT  HC  HC  HC  C   O   N   H   CT  H1  CT  HC  HC  CT  HC  
+CT  HC  HC  HC  CT  HC  HC  HC  C   O   N   H   CT  H1  CT  HC  HC  CT  HC  CT  
+HC  HC  HC  CT  HC  HC  HC  C   O   N   H   CT  H1  CT  HC  HC  CT  HC  HC  C   
+O2  O2  C   O   N   H   CT  H1  CT  HC  HC  CT  H1  H1  S   CT  H1  H1  H1  C   
+O   N   H   CT  H1  CT  HC  HC  CT  HC  CT  HC  HC  HC  CT  HC  HC  HC  C   O   
+N   H   CT  H1  CT  HC  HC  C   O2  O2  C   O   N   H   CT  H1  CT  HC  HC  HC  
+C   O   N   H   CT  H1  CT  HC  HC  CC  NB  CR  H5  NA  H   CW  H4  C   O2  O2  
+%FLAG TREE_CHAIN_CLASSIFICATION                                                 
+%FORMAT(20a4)                                                                   
+BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA M   E   M   E   3   E   E   3   
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+3   E   E   E   M   E   M   E   M   E   3   E   E   S   E   M   E   M   E   M   
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+E   E   M   E   M   E   M   E   3   E   E   3   E   E   S   3   E   E   E   M   
+E   M   E   M   E   3   E   E   3   E   3   E   E   E   3   E   E   E   M   E   
+M   E   M   E   3   E   E   B   E   E   M   E   M   E   M   E   3   E   E   E   
+M   E   BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA 
+%FLAG JOIN_ARRAY                                                                
+%FORMAT(10I8)                                                                   
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+%FLAG IROTAT                                                                    
+%FORMAT(10I8)                                                                   
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+%FLAG RADIUS_SET                                                                
+%FORMAT(1a80)                                                                   
+H(N)-modified Bondi radii (mbondi2)                                             
+%FLAG RADII                                                                     
+%FORMAT(5E16.8)                                                                 
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+%FORMAT(5E16.8)                                                                 
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+  8.50000000E-01  7.20000000E-01  7.90000000E-01  7.20000000E-01  8.50000000E-01
+  7.90000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.20000000E-01
+  8.50000000E-01  7.90000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
+  7.20000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01
+  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01
+  8.50000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
+  7.90000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.20000000E-01
+  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01
+  7.20000000E-01  8.50000000E-01  8.50000000E-01  7.90000000E-01  8.50000000E-01
+  7.20000000E-01  7.90000000E-01  8.50000000E-01  8.50000000E-01  7.90000000E-01
+  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.90000000E-01
+  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
+  8.50000000E-01  7.20000000E-01  7.90000000E-01  7.20000000E-01  8.50000000E-01
+  7.90000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.20000000E-01
+  8.50000000E-01  7.90000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
+  7.20000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
+  8.50000000E-01  9.60000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01
+  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.90000000E-01  8.50000000E-01
+  7.20000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01
+  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.90000000E-01
+  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
+  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.90000000E-01  8.50000000E-01
+  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.90000000E-01  8.50000000E-01
+  7.20000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01
+  7.20000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
+  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01  7.90000000E-01
+  8.50000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
+  7.90000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01
+  7.20000000E-01  8.50000000E-01  7.90000000E-01  8.50000000E-01  7.20000000E-01
+  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01
+  8.50000000E-01  8.50000000E-01  9.60000000E-01  7.20000000E-01  8.50000000E-01
+  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.90000000E-01
+  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
+  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01
+  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.90000000E-01
+  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
+  8.50000000E-01  7.20000000E-01  7.90000000E-01  7.20000000E-01  8.50000000E-01
+  7.90000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.20000000E-01
+  8.50000000E-01  7.90000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
+  7.20000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
+  7.20000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01
+  8.50000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
+  7.90000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.20000000E-01
+  8.50000000E-01  8.50000000E-01  7.20000000E-01  7.20000000E-01  8.50000000E-01
+  7.20000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01
+  7.20000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.20000000E-01
+  8.50000000E-01  7.90000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
+  7.20000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01
+  7.20000000E-01  8.50000000E-01  7.90000000E-01  8.50000000E-01  7.20000000E-01
+  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01
+  8.50000000E-01  8.50000000E-01  9.60000000E-01  7.20000000E-01  8.50000000E-01
+  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.90000000E-01
+  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
+  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01
+  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01
+  7.90000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01
+  8.50000000E-01  7.90000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
+  7.20000000E-01  8.50000000E-01  8.50000000E-01  9.60000000E-01  8.50000000E-01
+  7.20000000E-01  8.50000000E-01  7.90000000E-01  8.50000000E-01  7.20000000E-01
+  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01
+  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01
+  7.20000000E-01  8.50000000E-01  8.50000000E-01  7.90000000E-01  8.50000000E-01
+  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.90000000E-01
+  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
+  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.90000000E-01  8.50000000E-01
+  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.90000000E-01  8.50000000E-01
+  7.20000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.20000000E-01
+  8.50000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
+  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.90000000E-01
+  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
+  7.20000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01
+  8.50000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
+  7.90000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01
+  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01
+  7.20000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.90000000E-01
+  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
+  8.50000000E-01  7.20000000E-01  7.20000000E-01  8.50000000E-01  7.20000000E-01
+  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01
+  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
+  7.90000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.20000000E-01
+  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01
+  7.20000000E-01  8.50000000E-01  7.90000000E-01  8.50000000E-01  7.20000000E-01
+  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01
+  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01
+  7.20000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01
+  8.50000000E-01  7.90000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
+  7.20000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
+  7.20000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01
+  8.50000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
+  7.90000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.20000000E-01
+  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.20000000E-01
+  8.50000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
+  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.90000000E-01
+  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
+  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01
+  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.90000000E-01
+  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
+  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01  9.60000000E-01
+  7.20000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01
+  8.50000000E-01  7.90000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
+  7.20000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
+  7.20000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01
+  8.50000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01
+  7.90000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  7.20000000E-01
+  8.50000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01
+  7.20000000E-01  8.50000000E-01  7.90000000E-01  8.50000000E-01  7.20000000E-01
+  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01  8.50000000E-01
+  7.20000000E-01  8.50000000E-01  7.90000000E-01  8.50000000E-01  7.20000000E-01
+  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01  7.20000000E-01
+  7.90000000E-01  7.20000000E-01  8.50000000E-01  7.90000000E-01  8.50000000E-01
+  7.20000000E-01  8.50000000E-01  7.20000000E-01  8.50000000E-01  8.50000000E-01
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/solv_ions.gro	Tue Nov 30 10:00:44 2021 +0000
@@ -0,0 +1,38379 @@
+LYSOZYME in water
+38376
+    1LYS      N    1   4.434   3.396   2.469
+    1LYS     H1    2   4.510   3.450   2.431
+    1LYS     H2    3   4.368   3.376   2.397
+    1LYS     H3    4   4.390   3.448   2.542
+    1LYS     CA    5   4.487   3.269   2.524
+    1LYS     HA    6   4.531   3.217   2.451
+    1LYS     CB    7   4.585   3.306   2.636
+    1LYS    HB1    8   4.661   3.357   2.597
+    1LYS    HB2    9   4.537   3.363   2.703
+    1LYS     CG   10   4.643   3.187   2.711
+    1LYS    HG1   11   4.574   3.151   2.773
+    1LYS    HG2   12   4.668   3.116   2.644
+    1LYS     CD   13   4.767   3.227   2.790
+    1LYS    HD1   14   4.843   3.245   2.727
+    1LYS    HD2   15   4.747   3.309   2.843
+    1LYS     CE   16   4.804   3.113   2.883
+    1LYS    HE1   17   4.739   3.108   2.959
+    1LYS    HE2   18   4.804   3.026   2.834
+    1LYS     NZ   19   4.940   3.139   2.937
+    1LYS    HZ1   20   4.967   3.065   2.999
+    1LYS    HZ2   21   5.006   3.144   2.861
+    1LYS    HZ3   22   4.940   3.226   2.987
+    1LYS      C   23   4.372   3.188   2.583
+    1LYS      O   24   4.293   3.243   2.659
+    2VAL      N   25   4.372   3.058   2.563
+    2VAL      H   26   4.434   3.022   2.493
+    2VAL     CA   27   4.288   2.962   2.634
+    2VAL     HA   28   4.215   3.014   2.677
+    2VAL     CB   29   4.212   2.865   2.544
+    2VAL     HB   30   4.284   2.814   2.497
+    2VAL    CG1   31   4.123   2.770   2.624
+    2VAL   HG11   32   4.075   2.709   2.561
+    2VAL   HG12   33   4.180   2.717   2.686
+    2VAL   HG13   34   4.056   2.823   2.676
+    2VAL    CG2   35   4.127   2.933   2.438
+    2VAL   HG21   36   4.081   2.864   2.383
+    2VAL   HG22   37   4.060   2.992   2.482
+    2VAL   HG23   38   4.186   2.989   2.379
+    2VAL      C   39   4.378   2.893   2.738
+    2VAL      O   40   4.474   2.823   2.701
+    3PHE      N   41   4.347   2.917   2.863
+    3PHE      H   42   4.273   2.981   2.883
+    3PHE     CA   43   4.417   2.852   2.975
+    3PHE     HA   44   4.513   2.859   2.950
+    3PHE     CB   45   4.395   2.925   3.108
+    3PHE    HB1   46   4.303   2.964   3.109
+    3PHE    HB2   47   4.404   2.860   3.183
+    3PHE     CG   48   4.492   3.036   3.129
+    3PHE    CD1   49   4.465   3.167   3.087
+    3PHE    HD1   50   4.379   3.187   3.040
+    3PHE    CD2   51   4.598   3.018   3.220
+    3PHE    HD2   52   4.611   2.928   3.262
+    3PHE    CE1   53   4.556   3.270   3.110
+    3PHE    HE1   54   4.546   3.357   3.063
+    3PHE    CE2   55   4.685   3.121   3.251
+    3PHE    HE2   56   4.764   3.104   3.310
+    3PHE     CZ   57   4.662   3.249   3.200
+    3PHE     HZ   58   4.720   3.326   3.228
+    3PHE      C   59   4.372   2.706   2.990
+    3PHE      O   60   4.250   2.678   2.981
+    4GLY      N   61   4.470   2.626   3.034
+    4GLY      H   62   4.565   2.657   3.035
+    4GLY     CA   63   4.435   2.490   3.080
+    4GLY    HA1   64   4.360   2.454   3.024
+    4GLY    HA2   65   4.514   2.430   3.073
+    4GLY      C   66   4.390   2.504   3.225
+    4GLY      O   67   4.428   2.602   3.289
+    5ARG      N   68   4.303   2.416   3.270
+    5ARG      H   69   4.269   2.346   3.207
+    5ARG     CA   70   4.254   2.416   3.408
+    5ARG     HA   71   4.196   2.496   3.415
+    5ARG     CB   72   4.174   2.288   3.434
+    5ARG    HB1   73   4.098   2.284   3.370
+    5ARG    HB2   74   4.234   2.209   3.420
+    5ARG     CG   75   4.119   2.282   3.575
+    5ARG    HG1   76   4.195   2.279   3.640
+    5ARG    HG2   77   4.063   2.363   3.592
+    5ARG     CD   78   4.036   2.162   3.595
+    5ARG    HD1   79   4.002   2.161   3.689
+    5ARG    HD2   80   3.958   2.167   3.532
+    5ARG     NE   81   4.104   2.037   3.571
+    5ARG     HE   82   4.100   2.002   3.478
+    5ARG     CZ   83   4.171   1.963   3.657
+    5ARG    NH1   84   4.182   1.995   3.786
+    5ARG   HH11   85   4.137   2.078   3.820
+    5ARG   HH12   86   4.234   1.937   3.848
+    5ARG    NH2   87   4.223   1.846   3.614
+    5ARG   HH21   88   4.209   1.817   3.520
+    5ARG   HH22   89   4.274   1.788   3.677
+    5ARG      C   90   4.365   2.435   3.511
+    5ARG      O   91   4.365   2.527   3.597
+    6CYS      N   92   4.465   2.347   3.506
+    6CYS      H   93   4.465   2.278   3.434
+    6CYS     CA   94   4.576   2.349   3.602
+    6CYS     HA   95   4.529   2.364   3.689
+    6CYS     CB   96   4.647   2.215   3.605
+    6CYS    HB1   97   4.668   2.196   3.509
+    6CYS    HB2   98   4.732   2.234   3.654
+    6CYS     SG   99   4.552   2.082   3.681
+    6CYS      C  100   4.673   2.467   3.589
+    6CYS      O  101   4.713   2.523   3.693
+    7GLU      N  102   4.684   2.510   3.465
+    7GLU      H  103   4.638   2.462   3.391
+    7GLU     CA  104   4.766   2.631   3.436
+    7GLU     HA  105   4.858   2.617   3.474
+    7GLU     CB  106   4.776   2.647   3.285
+    7GLU    HB1  107   4.821   2.564   3.250
+    7GLU    HB2  108   4.683   2.651   3.250
+    7GLU     CG  109   4.852   2.767   3.229
+    7GLU    HG1  110   4.811   2.849   3.268
+    7GLU    HG2  111   4.947   2.760   3.260
+    7GLU     CD  112   4.856   2.786   3.080
+    7GLU    OE1  113   4.765   2.726   3.018
+    7GLU    OE2  114   4.940   2.857   3.029
+    7GLU      C  115   4.703   2.755   3.501
+    7GLU      O  116   4.772   2.835   3.566
+    8LEU      N  117   4.572   2.767   3.485
+    8LEU      H  118   4.524   2.697   3.432
+    8LEU     CA  119   4.494   2.878   3.542
+    8LEU     HA  120   4.538   2.963   3.511
+    8LEU     CB  121   4.351   2.879   3.486
+    8LEU    HB1  122   4.355   2.884   3.386
+    8LEU    HB2  123   4.304   2.795   3.514
+    8LEU     CG  124   4.270   2.997   3.536
+    8LEU     HG  125   4.276   3.004   3.636
+    8LEU    CD1  126   4.328   3.128   3.483
+    8LEU   HD11  127   4.274   3.205   3.517
+    8LEU   HD12  128   4.422   3.137   3.514
+    8LEU   HD13  129   4.325   3.127   3.383
+    8LEU    CD2  130   4.123   2.976   3.507
+    8LEU   HD21  131   4.070   3.055   3.541
+    8LEU   HD22  132   4.109   2.967   3.409
+    8LEU   HD23  133   4.091   2.893   3.553
+    8LEU      C  134   4.503   2.875   3.694
+    8LEU      O  135   4.514   2.979   3.759
+    9ALA      N  136   4.473   2.760   3.750
+    9ALA      H  137   4.444   2.684   3.691
+    9ALA     CA  138   4.482   2.738   3.895
+    9ALA     HA  139   4.406   2.788   3.936
+    9ALA     CB  140   4.464   2.591   3.929
+    9ALA    HB1  141   4.470   2.578   4.028
+    9ALA    HB2  142   4.374   2.560   3.897
+    9ALA    HB3  143   4.535   2.537   3.885
+    9ALA      C  144   4.612   2.793   3.951
+    9ALA      O  145   4.613   2.860   4.057
+   10ALA      N  146   4.725   2.760   3.887
+   10ALA      H  147   4.718   2.701   3.807
+   10ALA     CA  148   4.859   2.805   3.929
+   10ALA     HA  149   4.867   2.781   4.025
+   10ALA     CB  150   4.969   2.733   3.851
+   10ALA    HB1  151   5.058   2.765   3.882
+   10ALA    HB2  152   4.962   2.634   3.868
+   10ALA    HB3  153   4.958   2.751   3.753
+   10ALA      C  154   4.872   2.956   3.913
+   10ALA      O  155   4.917   3.012   4.014
+   11ALA      N  156   4.821   3.014   3.806
+   11ALA      H  157   4.779   2.957   3.734
+   11ALA     CA  158   4.824   3.160   3.789
+   11ALA     HA  159   4.921   3.185   3.800
+   11ALA     CB  160   4.785   3.204   3.649
+   11ALA    HB1  161   4.789   3.304   3.643
+   11ALA    HB2  162   4.848   3.164   3.583
+   11ALA    HB3  163   4.692   3.173   3.630
+   11ALA      C  164   4.747   3.232   3.899
+   11ALA      O  165   4.793   3.328   3.962
+   12MET      N  166   4.627   3.183   3.926
+   12MET      H  167   4.595   3.104   3.874
+   12MET     CA  168   4.538   3.240   4.028
+   12MET     HA  169   4.532   3.337   4.006
+   12MET     CB  170   4.397   3.183   4.019
+   12MET    HB1  171   4.402   3.083   4.015
+   12MET    HB2  172   4.344   3.212   4.098
+   12MET     CG  173   4.330   3.234   3.894
+   12MET    HG1  174   4.330   3.334   3.900
+   12MET    HG2  175   4.388   3.206   3.817
+   12MET     SD  176   4.161   3.161   3.890
+   12MET     CE  177   4.077   3.276   3.781
+   12MET    HE1  178   3.982   3.247   3.770
+   12MET    HE2  179   4.080   3.367   3.820
+   12MET    HE3  180   4.122   3.276   3.692
+   12MET      C  181   4.597   3.234   4.168
+   12MET      O  182   4.589   3.326   4.251
+   13LYS      N  183   4.667   3.125   4.198
+   13LYS      H  184   4.672   3.053   4.129
+   13LYS     CA  185   4.737   3.101   4.325
+   13LYS     HA  186   4.673   3.108   4.402
+   13LYS     CB  187   4.791   2.957   4.324
+   13LYS    HB1  188   4.714   2.894   4.317
+   13LYS    HB2  189   4.850   2.947   4.244
+   13LYS     CG  190   4.872   2.917   4.447
+   13LYS    HG1  191   4.949   2.861   4.417
+   13LYS    HG2  192   4.907   3.001   4.490
+   13LYS     CD  193   4.795   2.840   4.550
+   13LYS    HD1  194   4.820   2.873   4.641
+   13LYS    HD2  195   4.697   2.853   4.535
+   13LYS     CE  196   4.827   2.693   4.542
+   13LYS    HE1  197   4.866   2.672   4.452
+   13LYS    HE2  198   4.894   2.669   4.613
+   13LYS     NZ  199   4.706   2.608   4.562
+   13LYS    HZ1  200   4.731   2.512   4.555
+   13LYS    HZ2  201   4.666   2.627   4.652
+   13LYS    HZ3  202   4.638   2.630   4.491
+   13LYS      C  203   4.844   3.209   4.340
+   13LYS      O  204   4.849   3.276   4.445
+   14ARG      N  205   4.925   3.225   4.236
+   14ARG      H  206   4.909   3.171   4.153
+   14ARG     CA  207   5.037   3.320   4.238
+   14ARG     HA  208   5.087   3.297   4.322
+   14ARG     CB  209   5.137   3.297   4.127
+   14ARG    HB1  210   5.226   3.324   4.162
+   14ARG    HB2  211   5.137   3.199   4.107
+   14ARG     CG  212   5.115   3.370   3.996
+   14ARG    HG1  213   5.043   3.324   3.944
+   14ARG    HG2  214   5.088   3.464   4.014
+   14ARG     CD  215   5.242   3.369   3.916
+   14ARG    HD1  216   5.234   3.431   3.838
+   14ARG    HD2  217   5.319   3.399   3.973
+   14ARG     NE  218   5.267   3.233   3.868
+   14ARG     HE  219   5.328   3.173   3.920
+   14ARG     CZ  220   5.208   3.188   3.756
+   14ARG    NH1  221   5.167   3.281   3.669
+   14ARG   HH11  222   5.182   3.378   3.689
+   14ARG   HH12  223   5.123   3.253   3.584
+   14ARG    NH2  224   5.193   3.058   3.736
+   14ARG   HH21  225   5.226   2.992   3.804
+   14ARG   HH22  226   5.149   3.025   3.652
+   14ARG      C  227   4.991   3.464   4.255
+   14ARG      O  228   5.054   3.545   4.325
+   15HIS      N  229   4.866   3.487   4.213
+   15HIS      H  230   4.812   3.411   4.177
+   15HIS     CA  231   4.806   3.621   4.220
+   15HIS     HA  232   4.886   3.681   4.221
+   15HIS     CB  233   4.720   3.654   4.095
+   15HIS    HB1  234   4.671   3.572   4.065
+   15HIS    HB2  235   4.655   3.726   4.117
+   15HIS     CG  236   4.806   3.701   3.984
+   15HIS    ND1  237   4.844   3.626   3.876
+   15HIS    CD2  238   4.872   3.819   3.966
+   15HIS    HD2  239   4.864   3.901   4.023
+   15HIS    CE1  240   4.919   3.693   3.793
+   15HIS    HE1  241   4.947   3.666   3.701
+   15HIS    NE2  242   4.950   3.804   3.856
+   15HIS    HE2  243   5.022   3.868   3.827
+   15HIS      C  244   4.729   3.648   4.348
+   15HIS      O  245   4.659   3.750   4.362
+   16GLY      N  246   4.728   3.555   4.439
+   16GLY      H  247   4.767   3.467   4.413
+   16GLY     CA  248   4.674   3.564   4.574
+   16GLY    HA1  249   4.723   3.496   4.629
+   16GLY    HA2  250   4.697   3.656   4.607
+   16GLY      C  251   4.524   3.542   4.588
+   16GLY      O  252   4.463   3.602   4.680
+   17LEU      N  253   4.464   3.469   4.494
+   17LEU      H  254   4.520   3.432   4.420
+   17LEU     CA  255   4.322   3.442   4.497
+   17LEU     HA  256   4.284   3.526   4.536
+   17LEU     CB  257   4.263   3.427   4.357
+   17LEU    HB1  258   4.323   3.366   4.306
+   17LEU    HB2  259   4.173   3.384   4.367
+   17LEU     CG  260   4.243   3.551   4.273
+   17LEU     HG  261   4.331   3.598   4.265
+   17LEU    CD1  262   4.191   3.504   4.137
+   17LEU   HD11  263   4.177   3.583   4.078
+   17LEU   HD12  264   4.258   3.443   4.096
+   17LEU   HD13  265   4.105   3.455   4.150
+   17LEU    CD2  266   4.154   3.657   4.335
+   17LEU   HD21  267   4.146   3.735   4.273
+   17LEU   HD22  268   4.063   3.618   4.351
+   17LEU   HD23  269   4.193   3.687   4.422
+   17LEU      C  270   4.283   3.330   4.594
+   17LEU      O  271   4.162   3.321   4.622
+   18ASP      N  272   4.376   3.243   4.628
+   18ASP      H  273   4.469   3.253   4.590
+   18ASP     CA  274   4.347   3.134   4.720
+   18ASP     HA  275   4.270   3.090   4.674
+   18ASP     CB  276   4.454   3.025   4.727
+   18ASP    HB1  277   4.481   3.000   4.634
+   18ASP    HB2  278   4.533   3.060   4.777
+   18ASP     CG  279   4.400   2.903   4.798
+   18ASP    OD1  280   4.279   2.877   4.812
+   18ASP    OD2  281   4.490   2.822   4.833
+   18ASP      C  282   4.299   3.184   4.857
+   18ASP      O  283   4.381   3.240   4.933
+   19ASN      N  284   4.173   3.161   4.887
+   19ASN      H  285   4.117   3.111   4.822
+   19ASN     CA  286   4.110   3.205   5.012
+   19ASN     HA  287   4.027   3.151   5.001
+   19ASN     CB  288   4.175   3.162   5.144
+   19ASN    HB1  289   4.172   3.063   5.148
+   19ASN    HB2  290   4.270   3.193   5.142
+   19ASN     CG  291   4.114   3.213   5.273
+   19ASN    OD1  292   3.995   3.189   5.302
+   19ASN    ND2  293   4.183   3.298   5.352
+   19ASN   HD21  294   4.274   3.328   5.326
+   19ASN   HD22  295   4.142   3.331   5.437
+   19ASN      C  296   4.083   3.356   5.017
+   19ASN      O  297   4.041   3.402   5.124
+   20TYR      N  298   4.095   3.427   4.908
+   20TYR      H  299   4.122   3.382   4.822
+   20TYR     CA  300   4.069   3.572   4.908
+   20TYR     HA  301   4.128   3.612   4.978
+   20TYR     CB  302   4.105   3.636   4.774
+   20TYR    HB1  303   4.196   3.605   4.747
+   20TYR    HB2  304   4.039   3.607   4.705
+   20TYR     CG  305   4.104   3.787   4.781
+   20TYR    CD1  306   4.212   3.851   4.843
+   20TYR    HD1  307   4.285   3.796   4.885
+   20TYR    CD2  308   3.996   3.862   4.736
+   20TYR    HD2  309   3.916   3.817   4.697
+   20TYR    CE1  310   4.219   3.990   4.846
+   20TYR    HE1  311   4.302   4.036   4.878
+   20TYR    CE2  312   4.000   4.002   4.745
+   20TYR    HE2  313   3.925   4.057   4.708
+   20TYR     CZ  314   4.108   4.064   4.805
+   20TYR     OH  315   4.112   4.199   4.820
+   20TYR     HH  316   4.026   4.238   4.786
+   20TYR      C  317   3.921   3.596   4.943
+   20TYR      O  318   3.827   3.549   4.879
+   21ARG      N  319   3.907   3.676   5.047
+   21ARG      H  320   3.989   3.710   5.093
+   21ARG     CA  321   3.775   3.717   5.099
+   21ARG     HA  322   3.795   3.767   5.183
+   21ARG     CB  323   3.699   3.819   5.012
+   21ARG    HB1  324   3.706   3.789   4.917
+   21ARG    HB2  325   3.603   3.818   5.040
+   21ARG     CG  326   3.749   3.961   5.021
+   21ARG    HG1  327   3.849   3.960   5.017
+   21ARG    HG2  328   3.713   4.011   4.941
+   21ARG     CD  329   3.709   4.037   5.144
+   21ARG    HD1  330   3.645   4.111   5.121
+   21ARG    HD2  331   3.667   3.977   5.211
+   21ARG     NE  332   3.830   4.094   5.199
+   21ARG     HE  333   3.852   4.053   5.288
+   21ARG     CZ  334   3.920   4.185   5.165
+   21ARG    NH1  335   4.048   4.148   5.152
+   21ARG   HH11  336   4.074   4.052   5.168
+   21ARG   HH12  337   4.118   4.215   5.126
+   21ARG    NH2  338   3.892   4.306   5.116
+   21ARG   HH21  339   3.797   4.334   5.104
+   21ARG   HH22  340   3.966   4.368   5.093
+   21ARG      C  341   3.694   3.593   5.129
+   21ARG      O  342   3.571   3.595   5.128
+   22GLY      N  343   3.767   3.487   5.167
+   22GLY      H  344   3.866   3.492   5.159
+   22GLY     CA  345   3.708   3.364   5.219
+   22GLY    HA1  346   3.775   3.323   5.282
+   22GLY    HA2  347   3.626   3.389   5.269
+   22GLY      C  348   3.673   3.264   5.111
+   22GLY      O  349   3.606   3.164   5.145
+   23TYR      N  350   3.719   3.285   4.989
+   23TYR      H  351   3.777   3.365   4.971
+   23TYR     CA  352   3.687   3.194   4.878
+   23TYR     HA  353   3.618   3.132   4.917
+   23TYR     CB  354   3.633   3.273   4.758
+   23TYR    HB1  355   3.698   3.345   4.737
+   23TYR    HB2  356   3.625   3.211   4.680
+   23TYR     CG  357   3.498   3.336   4.780
+   23TYR    CD1  358   3.383   3.258   4.781
+   23TYR    HD1  359   3.389   3.160   4.761
+   23TYR    CD2  360   3.488   3.472   4.813
+   23TYR    HD2  361   3.570   3.528   4.817
+   23TYR    CE1  362   3.258   3.314   4.809
+   23TYR    HE1  363   3.176   3.257   4.809
+   23TYR    CE2  364   3.363   3.529   4.840
+   23TYR    HE2  365   3.356   3.627   4.860
+   23TYR     CZ  366   3.250   3.450   4.837
+   23TYR     OH  367   3.127   3.506   4.858
+   23TYR     HH  368   3.137   3.603   4.877
+   23TYR      C  369   3.810   3.115   4.830
+   23TYR      O  370   3.902   3.181   4.781
+   24SER      N  371   3.801   2.984   4.848
+   24SER      H  372   3.718   2.945   4.889
+   24SER     CA  373   3.912   2.897   4.808
+   24SER     HA  374   3.993   2.933   4.854
+   24SER     CB  375   3.890   2.755   4.858
+   24SER    HB1  376   3.969   2.698   4.836
+   24SER    HB2  377   3.875   2.755   4.957
+   24SER     OG  378   3.778   2.696   4.798
+   24SER     HG  379   3.767   2.603   4.833
+   24SER      C  380   3.934   2.900   4.656
+   24SER      O  381   3.842   2.931   4.581
+   25LEU      N  382   4.057   2.865   4.621
+   25LEU      H  383   4.121   2.833   4.691
+   25LEU     CA  384   4.102   2.871   4.481
+   25LEU     HA  385   4.106   2.967   4.454
+   25LEU     CB  386   4.239   2.803   4.475
+   25LEU    HB1  387   4.301   2.848   4.539
+   25LEU    HB2  388   4.229   2.707   4.501
+   25LEU     CG  389   4.299   2.810   4.336
+   25LEU     HG  390   4.240   2.764   4.269
+   25LEU    CD1  391   4.315   2.955   4.296
+   25LEU   HD11  392   4.355   2.960   4.204
+   25LEU   HD12  393   4.226   2.999   4.296
+   25LEU   HD13  394   4.376   3.001   4.361
+   25LEU    CD2  395   4.438   2.743   4.342
+   25LEU   HD21  396   4.480   2.746   4.252
+   25LEU   HD22  397   4.495   2.792   4.408
+   25LEU   HD23  398   4.428   2.648   4.371
+   25LEU      C  399   4.001   2.806   4.385
+   25LEU      O  400   3.985   2.854   4.273
+   26GLY      N  401   3.948   2.690   4.425
+   26GLY      H  402   3.975   2.652   4.513
+   26GLY     CA  403   3.852   2.618   4.343
+   26GLY    HA1  404   3.902   2.584   4.263
+   26GLY    HA2  405   3.819   2.541   4.397
+   26GLY      C  406   3.732   2.700   4.295
+   26GLY      O  407   3.687   2.687   4.179
+   27ASN      N  408   3.688   2.790   4.383
+   27ASN      H  409   3.731   2.793   4.473
+   27ASN     CA  410   3.581   2.885   4.353
+   27ASN     HA  411   3.500   2.829   4.335
+   27ASN     CB  412   3.546   2.975   4.472
+   27ASN    HB1  413   3.630   3.008   4.516
+   27ASN    HB2  414   3.492   3.053   4.442
+   27ASN     CG  415   3.466   2.889   4.572
+   27ASN    OD1  416   3.349   2.855   4.549
+   27ASN    ND2  417   3.533   2.867   4.684
+   27ASN   HD21  418   3.624   2.905   4.696
+   27ASN   HD22  419   3.492   2.813   4.757
+   27ASN      C  420   3.614   2.963   4.227
+   27ASN      O  421   3.530   2.983   4.139
+   28TRP      N  422   3.732   3.021   4.225
+   28TRP      H  423   3.794   3.004   4.302
+   28TRP     CA  424   3.781   3.109   4.118
+   28TRP     HA  425   3.714   3.181   4.099
+   28TRP     CB  426   3.908   3.176   4.169
+   28TRP    HB1  427   3.976   3.105   4.190
+   28TRP    HB2  428   3.944   3.236   4.097
+   28TRP     CG  429   3.892   3.260   4.292
+   28TRP    CD1  430   3.916   3.224   4.422
+   28TRP    HD1  431   3.947   3.134   4.452
+   28TRP    CD2  432   3.830   3.390   4.296
+   28TRP    NE1  433   3.890   3.331   4.503
+   28TRP    HE1  434   3.912   3.335   4.601
+   28TRP    CE2  435   3.832   3.430   4.431
+   28TRP    CE3  436   3.787   3.479   4.197
+   28TRP    HE3  437   3.793   3.454   4.100
+   28TRP    CZ2  438   3.789   3.556   4.471
+   28TRP    HZ2  439   3.793   3.586   4.566
+   28TRP    CZ3  440   3.738   3.602   4.235
+   28TRP    HZ3  441   3.700   3.665   4.167
+   28TRP    CH2  442   3.741   3.639   4.369
+   28TRP    HH2  443   3.707   3.729   4.395
+   28TRP      C  444   3.792   3.036   3.985
+   28TRP      O  445   3.772   3.094   3.876
+   29VAL      N  446   3.855   2.916   3.993
+   29VAL      H  447   3.891   2.884   4.081
+   29VAL     CA  448   3.871   2.833   3.872
+   29VAL     HA  449   3.915   2.891   3.803
+   29VAL     CB  450   3.963   2.711   3.903
+   29VAL     HB  451   3.926   2.654   3.976
+   29VAL    CG1  452   3.976   2.622   3.781
+   29VAL   HG11  453   4.035   2.544   3.802
+   29VAL   HG12  454   3.886   2.588   3.754
+   29VAL   HG13  455   4.016   2.674   3.705
+   29VAL    CG2  456   4.099   2.767   3.944
+   29VAL   HG21  457   4.161   2.691   3.965
+   29VAL   HG22  458   4.137   2.821   3.869
+   29VAL   HG23  459   4.088   2.825   4.025
+   29VAL      C  460   3.736   2.796   3.810
+   29VAL      O  461   3.715   2.812   3.690
+   30CYS      N  462   3.648   2.753   3.897
+   30CYS      H  463   3.678   2.742   3.992
+   30CYS     CA  464   3.510   2.719   3.866
+   30CYS     HA  465   3.518   2.642   3.803
+   30CYS     CB  466   3.432   2.667   3.984
+   30CYS    HB1  467   3.492   2.598   4.025
+   30CYS    HB2  468   3.425   2.745   4.046
+   30CYS     SG  469   3.270   2.600   3.936
+   30CYS      C  470   3.437   2.834   3.797
+   30CYS      O  471   3.387   2.814   3.684
+   31ALA      N  472   3.451   2.953   3.854
+   31ALA      H  473   3.504   2.960   3.939
+   31ALA     CA  474   3.393   3.075   3.798
+   31ALA     HA  475   3.294   3.059   3.795
+   31ALA     CB  476   3.415   3.195   3.887
+   31ALA    HB1  477   3.373   3.276   3.845
+   31ALA    HB2  478   3.372   3.179   3.976
+   31ALA    HB3  479   3.513   3.211   3.899
+   31ALA      C  480   3.447   3.097   3.655
+   31ALA      O  481   3.365   3.131   3.567
+   32ALA      N  482   3.579   3.097   3.638
+   32ALA      H  483   3.637   3.084   3.719
+   32ALA     CA  484   3.644   3.116   3.509
+   32ALA     HA  485   3.618   3.207   3.477
+   32ALA     CB  486   3.796   3.110   3.527
+   32ALA    HB1  487   3.841   3.122   3.439
+   32ALA    HB2  488   3.825   3.182   3.590
+   32ALA    HB3  489   3.822   3.021   3.565
+   32ALA      C  490   3.592   3.016   3.405
+   32ALA      O  491   3.575   3.048   3.288
+   33LYS      N  492   3.571   2.892   3.448
+   33LYS      H  493   3.589   2.872   3.544
+   33LYS     CA  494   3.524   2.784   3.363
+   33LYS     HA  495   3.595   2.778   3.293
+   33LYS     CB  496   3.520   2.648   3.432
+   33LYS    HB1  497   3.613   2.626   3.460
+   33LYS    HB2  498   3.462   2.657   3.513
+   33LYS     CG  499   3.468   2.532   3.348
+   33LYS    HG1  500   3.468   2.450   3.406
+   33LYS    HG2  501   3.374   2.553   3.321
+   33LYS     CD  502   3.548   2.502   3.222
+   33LYS    HD1  503   3.566   2.587   3.173
+   33LYS    HD2  504   3.634   2.458   3.247
+   33LYS     CE  505   3.467   2.408   3.134
+   33LYS    HE1  506   3.439   2.329   3.188
+   33LYS    HE2  507   3.385   2.457   3.102
+   33LYS     NZ  508   3.540   2.360   3.015
+   33LYS    HZ1  509   3.481   2.299   2.961
+   33LYS    HZ2  510   3.567   2.438   2.958
+   33LYS    HZ3  511   3.622   2.310   3.044
+   33LYS      C  512   3.388   2.818   3.301
+   33LYS      O  513   3.379   2.813   3.178
+   34PHE      N  514   3.295   2.857   3.385
+   34PHE      H  515   3.320   2.875   3.481
+   34PHE     CA  516   3.155   2.874   3.342
+   34PHE     HA  517   3.136   2.814   3.265
+   34PHE     CB  518   3.061   2.829   3.454
+   34PHE    HB1  519   3.089   2.871   3.540
+   34PHE    HB2  520   2.967   2.858   3.432
+   34PHE     CG  521   3.062   2.679   3.470
+   34PHE    CD1  522   3.019   2.597   3.366
+   34PHE    HD1  523   2.976   2.637   3.285
+   34PHE    CD2  524   3.125   2.625   3.582
+   34PHE    HD2  525   3.158   2.685   3.655
+   34PHE    CE1  526   3.035   2.458   3.376
+   34PHE    HE1  527   3.008   2.399   3.300
+   34PHE    CE2  528   3.142   2.486   3.593
+   34PHE    HE2  529   3.191   2.448   3.671
+   34PHE     CZ  530   3.090   2.403   3.493
+   34PHE     HZ  531   3.092   2.303   3.506
+   34PHE      C  532   3.133   3.013   3.283
+   34PHE      O  533   3.048   3.031   3.191
+   35GLU      N  534   3.223   3.103   3.322
+   35GLU      H  535   3.295   3.079   3.387
+   35GLU     CA  536   3.216   3.241   3.267
+   35GLU     HA  537   3.116   3.252   3.267
+   35GLU     CB  538   3.268   3.351   3.356
+   35GLU    HB1  539   3.362   3.327   3.380
+   35GLU    HB2  540   3.267   3.435   3.302
+   35GLU     CG  541   3.197   3.383   3.486
+   35GLU    HG1  542   3.188   3.297   3.536
+   35GLU    HG2  543   3.257   3.445   3.537
+   35GLU     CD  544   3.061   3.447   3.481
+   35GLU    OE1  545   3.039   3.498   3.369
+   35GLU    OE2  546   2.993   3.465   3.580
+   35GLU      C  547   3.264   3.256   3.125
+   35GLU      O  548   3.199   3.313   3.036
+   36SER      N  549   3.385   3.210   3.100
+   36SER      H  550   3.429   3.160   3.174
+   36SER     CA  551   3.461   3.224   2.977
+   36SER     HA  552   3.390   3.260   2.917
+   36SER     CB  553   3.581   3.315   3.002
+   36SER    HB1  554   3.630   3.332   2.916
+   36SER    HB2  555   3.552   3.402   3.041
+   36SER     OG  556   3.673   3.257   3.092
+   36SER     HG  557   3.750   3.319   3.106
+   36SER      C  558   3.512   3.096   2.910
+   36SER      O  559   3.573   3.108   2.803
+   37ASN      N  560   3.494   2.984   2.974
+   37ASN      H  561   3.431   2.984   3.052
+   37ASN     CA  562   3.561   2.859   2.937
+   37ASN     HA  563   3.542   2.791   3.009
+   37ASN     CB  564   3.501   2.811   2.805
+   37ASN    HB1  565   3.404   2.836   2.803
+   37ASN    HB2  566   3.549   2.856   2.730
+   37ASN     CG  567   3.514   2.660   2.789
+   37ASN    OD1  568   3.562   2.589   2.878
+   37ASN    ND2  569   3.485   2.613   2.668
+   37ASN   HD21  570   3.457   2.675   2.595
+   37ASN   HD22  571   3.491   2.514   2.650
+   37ASN      C  572   3.713   2.871   2.937
+   37ASN      O  573   3.779   2.825   2.842
+   38PHE      N  574   3.767   2.950   3.029
+   38PHE      H  575   3.707   2.996   3.094
+   38PHE     CA  576   3.911   2.973   3.039
+   38PHE     HA  577   3.916   3.031   3.121
+   38PHE     CB  578   3.989   2.844   3.062
+   38PHE    HB1  579   3.980   2.787   2.981
+   38PHE    HB2  580   4.086   2.868   3.075
+   38PHE     CG  581   3.947   2.763   3.181
+   38PHE    CD1  582   3.908   2.819   3.301
+   38PHE    HD1  583   3.904   2.919   3.309
+   38PHE    CD2  584   3.949   2.622   3.168
+   38PHE    HD2  585   3.976   2.580   3.082
+   38PHE    CE1  586   3.875   2.743   3.411
+   38PHE    HE1  587   3.846   2.787   3.496
+   38PHE    CE2  588   3.912   2.543   3.278
+   38PHE    HE2  589   3.906   2.444   3.268
+   38PHE     CZ  590   3.882   2.603   3.402
+   38PHE     HZ  591   3.865   2.546   3.483
+   38PHE      C  592   3.970   3.052   2.922
+   38PHE      O  593   4.090   3.041   2.897
+   39ASN      N  594   3.892   3.141   2.864
+   39ASN      H  595   3.800   3.156   2.901
+   39ASN     CA  596   3.932   3.219   2.747
+   39ASN     HA  597   4.022   3.187   2.717
+   39ASN     CB  598   3.839   3.192   2.630
+   39ASN    HB1  599   3.824   3.093   2.625
+   39ASN    HB2  600   3.751   3.237   2.649
+   39ASN     CG  601   3.886   3.239   2.495
+   39ASN    OD1  602   3.956   3.337   2.471
+   39ASN    ND2  603   3.856   3.148   2.402
+   39ASN   HD21  604   3.809   3.064   2.427
+   39ASN   HD22  605   3.881   3.165   2.306
+   39ASN      C  606   3.952   3.365   2.785
+   39ASN      O  607   3.852   3.427   2.825
+   40THR      N  608   4.075   3.411   2.774
+   40THR      H  609   4.146   3.348   2.746
+   40THR     CA  610   4.112   3.549   2.801
+   40THR     HA  611   4.064   3.560   2.888
+   40THR     CB  612   4.266   3.572   2.825
+   40THR     HB  613   4.283   3.658   2.873
+   40THR    OG1  614   4.325   3.578   2.689
+   40THR    HG1  615   4.424   3.592   2.696
+   40THR    CG2  616   4.339   3.474   2.918
+   40THR   HG21  617   4.436   3.499   2.924
+   40THR   HG22  618   4.298   3.477   3.009
+   40THR   HG23  619   4.332   3.381   2.881
+   40THR      C  620   4.048   3.651   2.708
+   40THR      O  621   4.030   3.767   2.746
+   41GLN      N  622   3.998   3.605   2.596
+   41GLN      H  623   3.991   3.506   2.585
+   41GLN     CA  624   3.950   3.691   2.486
+   41GLN     HA  625   3.989   3.781   2.508
+   41GLN     CB  626   4.003   3.644   2.350
+   41GLN    HB1  627   3.981   3.547   2.339
+   41GLN    HB2  628   3.958   3.696   2.278
+   41GLN     CG  629   4.153   3.662   2.339
+   41GLN    HG1  630   4.193   3.676   2.430
+   41GLN    HG2  631   4.195   3.583   2.295
+   41GLN     CD  632   4.174   3.786   2.254
+   41GLN    OE1  633   4.134   3.793   2.138
+   41GLN    NE2  634   4.226   3.885   2.325
+   41GLN   HE21  635   4.245   3.872   2.422
+   41GLN   HE22  636   4.245   3.973   2.281
+   41GLN      C  637   3.797   3.700   2.480
+   41GLN      O  638   3.748   3.764   2.383
+   42ALA      N  639   3.731   3.626   2.566
+   42ALA      H  640   3.781   3.574   2.635
+   42ALA     CA  641   3.584   3.620   2.561
+   42ALA     HA  642   3.559   3.588   2.469
+   42ALA     CB  643   3.533   3.522   2.667
+   42ALA    HB1  644   3.434   3.518   2.664
+   42ALA    HB2  645   3.571   3.431   2.650
+   42ALA    HB3  646   3.563   3.554   2.758
+   42ALA      C  647   3.524   3.759   2.586
+   42ALA      O  648   3.562   3.831   2.679
+   43THR      N  649   3.426   3.791   2.503
+   43THR      H  650   3.408   3.731   2.425
+   43THR     CA  651   3.342   3.911   2.519
+   43THR     HA  652   3.361   3.936   2.615
+   43THR     CB  653   3.379   4.035   2.430
+   43THR     HB  654   3.324   4.115   2.450
+   43THR    OG1  655   3.353   3.994   2.291
+   43THR    HG1  656   3.376   4.070   2.230
+   43THR    CG2  657   3.523   4.083   2.449
+   43THR   HG21  658   3.540   4.162   2.389
+   43THR   HG22  659   3.536   4.110   2.544
+   43THR   HG23  660   3.586   4.010   2.426
+   43THR      C  661   3.196   3.873   2.496
+   43THR      O  662   3.170   3.789   2.408
+   44ASN      N  663   3.107   3.936   2.570
+   44ASN      H  664   3.139   4.003   2.638
+   44ASN     CA  665   2.962   3.912   2.556
+   44ASN     HA  666   2.946   3.872   2.466
+   44ASN     CB  667   2.914   3.810   2.659
+   44ASN    HB1  668   2.956   3.722   2.640
+   44ASN    HB2  669   2.940   3.841   2.750
+   44ASN     CG  670   2.763   3.794   2.655
+   44ASN    OD1  671   2.711   3.734   2.559
+   44ASN    ND2  672   2.689   3.855   2.748
+   44ASN   HD21  673   2.733   3.910   2.819
+   44ASN   HD22  674   2.589   3.845   2.747
+   44ASN      C  675   2.888   4.046   2.571
+   44ASN      O  676   2.915   4.122   2.664
+   45ARG      N  677   2.804   4.074   2.475
+   45ARG      H  678   2.790   4.005   2.403
+   45ARG     CA  679   2.728   4.198   2.465
+   45ARG     HA  680   2.782   4.268   2.513
+   45ARG     CB  681   2.712   4.246   2.321
+   45ARG    HB1  682   2.798   4.288   2.290
+   45ARG    HB2  683   2.691   4.167   2.262
+   45ARG     CG  684   2.599   4.348   2.311
+   45ARG    HG1  685   2.575   4.364   2.216
+   45ARG    HG2  686   2.519   4.315   2.360
+   45ARG     CD  687   2.648   4.475   2.374
+   45ARG    HD1  688   2.572   4.535   2.399
+   45ARG    HD2  689   2.704   4.457   2.455
+   45ARG     NE  690   2.729   4.538   2.269
+   45ARG     HE  691   2.829   4.542   2.274
+   45ARG     CZ  692   2.660   4.589   2.165
+   45ARG    NH1  693   2.527   4.595   2.157
+   45ARG   HH11  694   2.471   4.560   2.232
+   45ARG   HH12  695   2.483   4.635   2.076
+   45ARG    NH2  696   2.735   4.632   2.064
+   45ARG   HH21  697   2.835   4.624   2.069
+   45ARG   HH22  698   2.692   4.671   1.983
+   45ARG      C  699   2.594   4.178   2.534
+   45ARG      O  700   2.538   4.068   2.524
+   46ASN      N  701   2.553   4.279   2.612
+   46ASN      H  702   2.608   4.362   2.617
+   46ASN     CA  703   2.428   4.269   2.689
+   46ASN     HA  704   2.393   4.177   2.675
+   46ASN     CB  705   2.456   4.285   2.837
+   46ASN    HB1  706   2.493   4.377   2.852
+   46ASN    HB2  707   2.368   4.276   2.886
+   46ASN     CG  708   2.552   4.186   2.899
+   46ASN    OD1  709   2.664   4.228   2.932
+   46ASN    ND2  710   2.510   4.060   2.907
+   46ASN   HD21  711   2.420   4.035   2.873
+   46ASN   HD22  712   2.570   3.990   2.947
+   46ASN      C  713   2.324   4.368   2.636
+   46ASN      O  714   2.360   4.472   2.579
+   47THR      N  715   2.201   4.345   2.678
+   47THR      H  716   2.186   4.267   2.739
+   47THR     CA  717   2.085   4.427   2.642
+   47THR     HA  718   2.092   4.428   2.543
+   47THR     CB  719   1.948   4.364   2.688
+   47THR     HB  720   1.867   4.407   2.649
+   47THR    OG1  721   1.949   4.382   2.833
+   47THR    HG1  722   1.865   4.344   2.871
+   47THR    CG2  723   1.931   4.217   2.648
+   47THR   HG21  724   1.842   4.184   2.680
+   47THR   HG22  725   1.936   4.209   2.549
+   47THR   HG23  726   2.004   4.163   2.690
+   47THR      C  727   2.098   4.573   2.686
+   47THR      O  728   2.058   4.659   2.606
+   48ASP      N  729   2.161   4.600   2.799
+   48ASP      H  730   2.193   4.522   2.853
+   48ASP     CA  731   2.186   4.734   2.850
+   48ASP     HA  732   2.102   4.778   2.820
+   48ASP     CB  733   2.200   4.735   3.003
+   48ASP    HB1  734   2.192   4.830   3.035
+   48ASP    HB2  735   2.127   4.680   3.043
+   48ASP     CG  736   2.335   4.679   3.050
+   48ASP    OD1  737   2.408   4.622   2.968
+   48ASP    OD2  738   2.373   4.706   3.166
+   48ASP      C  739   2.299   4.813   2.785
+   48ASP      O  740   2.323   4.924   2.836
+   49GLY      N  741   2.363   4.764   2.681
+   49GLY      H  742   2.335   4.674   2.646
+   49GLY     CA  743   2.472   4.832   2.612
+   49GLY    HA1  744   2.463   4.812   2.515
+   49GLY    HA2  745   2.459   4.930   2.628
+   49GLY      C  746   2.613   4.794   2.657
+   49GLY      O  747   2.715   4.831   2.598
+   50SER      N  748   2.615   4.728   2.774
+   50SER      H  749   2.529   4.708   2.819
+   50SER     CA  750   2.742   4.685   2.839
+   50SER     HA  751   2.808   4.757   2.825
+   50SER     CB  752   2.725   4.671   2.989
+   50SER    HB1  753   2.814   4.663   3.033
+   50SER    HB2  754   2.676   4.750   3.026
+   50SER     OG  755   2.651   4.555   3.021
+   50SER     HG  756   2.641   4.548   3.120
+   50SER      C  757   2.796   4.558   2.773
+   50SER      O  758   2.725   4.488   2.697
+   51THR      N  759   2.925   4.539   2.794
+   51THR      H  760   2.977   4.608   2.843
+   51THR     CA  761   2.995   4.418   2.747
+   51THR     HA  762   2.927   4.351   2.716
+   51THR     CB  763   3.088   4.453   2.625
+   51THR     HB  764   3.160   4.519   2.648
+   51THR    OG1  765   3.008   4.520   2.526
+   51THR    HG1  766   3.065   4.543   2.447
+   51THR    CG2  767   3.167   4.332   2.572
+   51THR   HG21  768   3.224   4.360   2.495
+   51THR   HG22  769   3.224   4.295   2.645
+   51THR   HG23  770   3.102   4.262   2.541
+   51THR      C  771   3.070   4.359   2.867
+   51THR      O  772   3.114   4.433   2.955
+   52ASP      N  773   3.069   4.227   2.874
+   52ASP      H  774   3.010   4.176   2.812
+   52ASP     CA  775   3.151   4.152   2.971
+   52ASP     HA  776   3.168   4.210   3.050
+   52ASP     CB  777   3.075   4.027   3.012
+   52ASP    HB1  778   3.063   3.968   2.932
+   52ASP    HB2  779   3.127   3.978   3.082
+   52ASP     CG  780   2.938   4.061   3.067
+   52ASP    OD1  781   2.920   4.155   3.143
+   52ASP    OD2  782   2.850   3.976   3.045
+   52ASP      C  783   3.282   4.111   2.904
+   52ASP      O  784   3.283   4.069   2.786
+   53TYR      N  785   3.390   4.135   2.976
+   53TYR      H  786   3.379   4.164   3.072
+   53TYR     CA  787   3.526   4.122   2.922
+   53TYR     HA  788   3.508   4.087   2.830
+   53TYR     CB  789   3.597   4.259   2.918
+   53TYR    HB1  790   3.591   4.301   3.009
+   53TYR    HB2  791   3.693   4.244   2.895
+   53TYR     CG  792   3.542   4.358   2.818
+   53TYR    CD1  793   3.582   4.362   2.685
+   53TYR    HD1  794   3.652   4.298   2.653
+   53TYR    CD2  795   3.449   4.453   2.862
+   53TYR    HD2  796   3.425   4.456   2.959
+   53TYR    CE1  797   3.527   4.454   2.595
+   53TYR    HE1  798   3.554   4.454   2.499
+   53TYR    CE2  799   3.389   4.542   2.774
+   53TYR    HE2  800   3.315   4.602   2.805
+   53TYR     CZ  801   3.434   4.547   2.642
+   53TYR     OH  802   3.384   4.642   2.558
+   53TYR     HH  803   3.319   4.700   2.607
+   53TYR      C  804   3.614   4.021   2.996
+   53TYR      O  805   3.627   4.023   3.118
+   54GLY      N  806   3.673   3.934   2.918
+   54GLY      H  807   3.640   3.928   2.824
+   54GLY     CA  808   3.783   3.845   2.955
+   54GLY    HA1  809   3.825   3.815   2.869
+   54GLY    HA2  810   3.848   3.901   3.006
+   54GLY      C  811   3.748   3.722   3.038
+   54GLY      O  812   3.632   3.678   3.041
+   55ILE      N  813   3.854   3.671   3.099
+   55ILE      H  814   3.941   3.720   3.097
+   55ILE     CA  815   3.843   3.541   3.168
+   55ILE     HA  816   3.803   3.480   3.100
+   55ILE     CB  817   3.987   3.496   3.211
+   55ILE     HB  818   4.059   3.510   3.143
+   55ILE    CG1  819   3.977   3.343   3.235
+   55ILE   HG11  820   3.934   3.329   3.325
+   55ILE   HG12  821   3.917   3.305   3.164
+   55ILE    CG2  822   4.038   3.583   3.328
+   55ILE   HG21  823   4.129   3.553   3.355
+   55ILE   HG22  824   4.041   3.679   3.300
+   55ILE   HG23  825   3.976   3.573   3.406
+   55ILE     CD  826   4.108   3.264   3.233
+   55ILE    HD1  827   4.089   3.167   3.250
+   55ILE    HD2  828   4.152   3.274   3.144
+   55ILE    HD3  829   4.169   3.299   3.304
+   55ILE      C  830   3.740   3.537   3.280
+   55ILE      O  831   3.675   3.432   3.298
+   56LEU      N  832   3.720   3.650   3.343
+   56LEU      H  833   3.776   3.730   3.321
+   56LEU     CA  834   3.615   3.662   3.447
+   56LEU     HA  835   3.576   3.571   3.460
+   56LEU     CB  836   3.680   3.704   3.579
+   56LEU    HB1  837   3.737   3.785   3.562
+   56LEU    HB2  838   3.606   3.729   3.643
+   56LEU     CG  839   3.767   3.597   3.647
+   56LEU     HG  840   3.839   3.561   3.587
+   56LEU    CD1  841   3.831   3.662   3.768
+   56LEU   HD11  842   3.889   3.595   3.815
+   56LEU   HD12  843   3.887   3.739   3.739
+   56LEU   HD13  844   3.760   3.693   3.830
+   56LEU    CD2  845   3.679   3.480   3.686
+   56LEU   HD21  846   3.735   3.409   3.730
+   56LEU   HD22  847   3.609   3.511   3.750
+   56LEU   HD23  848   3.635   3.442   3.605
+   56LEU      C  849   3.496   3.746   3.401
+   56LEU      O  850   3.414   3.773   3.490
+   57GLN      N  851   3.484   3.772   3.272
+   57GLN      H  852   3.558   3.746   3.210
+   57GLN     CA  853   3.365   3.840   3.220
+   57GLN     HA  854   3.388   3.877   3.130
+   57GLN     CB  855   3.250   3.738   3.212
+   57GLN    HB1  856   3.246   3.687   3.298
+   57GLN    HB2  857   3.164   3.787   3.198
+   57GLN     CG  858   3.271   3.641   3.097
+   57GLN    HG1  859   3.361   3.598   3.108
+   57GLN    HG2  860   3.200   3.571   3.101
+   57GLN     CD  861   3.266   3.706   2.960
+   57GLN    OE1  862   3.155   3.722   2.908
+   57GLN    NE2  863   3.379   3.742   2.902
+   57GLN   HE21  864   3.467   3.727   2.948
+   57GLN   HE22  865   3.377   3.785   2.812
+   57GLN      C  866   3.326   3.956   3.311
+   57GLN      O  867   3.210   3.965   3.358
+   58ILE      N  868   3.414   4.053   3.324
+   58ILE      H  869   3.503   4.043   3.278
+   58ILE     CA  870   3.391   4.174   3.402
+   58ILE     HA  871   3.331   4.148   3.478
+   58ILE     CB  872   3.528   4.228   3.454
+   58ILE     HB  873   3.598   4.230   3.382
+   58ILE    CG1  874   3.573   4.134   3.569
+   58ILE   HG11  875   3.518   4.153   3.650
+   58ILE   HG12  876   3.560   4.039   3.540
+   58ILE    CG2  877   3.516   4.376   3.498
+   58ILE   HG21  878   3.605   4.408   3.530
+   58ILE   HG22  879   3.486   4.431   3.420
+   58ILE   HG23  880   3.449   4.383   3.571
+   58ILE     CD  881   3.723   4.157   3.603
+   58ILE    HD1  882   3.750   4.096   3.677
+   58ILE    HD2  883   3.779   4.139   3.522
+   58ILE    HD3  884   3.736   4.252   3.632
+   58ILE      C  885   3.318   4.278   3.317
+   58ILE      O  886   3.353   4.303   3.200
+   59ASN      N  887   3.213   4.329   3.377
+   59ASN      H  888   3.199   4.310   3.474
+   59ASN     CA  889   3.113   4.413   3.308
+   59ASN     HA  890   3.108   4.381   3.213
+   59ASN     CB  891   2.978   4.393   3.379
+   59ASN    HB1  892   2.959   4.295   3.383
+   59ASN    HB2  893   2.985   4.430   3.471
+   59ASN     CG  894   2.863   4.461   3.308
+   59ASN    OD1  895   2.844   4.579   3.343
+   59ASN    ND2  896   2.814   4.394   3.206
+   59ASN   HD21  897   2.852   4.306   3.180
+   59ASN   HD22  898   2.737   4.432   3.154
+   59ASN      C  899   3.153   4.559   3.294
+   59ASN      O  900   3.190   4.623   3.393
+   60SER      N  901   3.125   4.610   3.173
+   60SER      H  902   3.083   4.552   3.103
+   60SER     CA  903   3.155   4.753   3.142
+   60SER     HA  904   3.244   4.762   3.187
+   60SER     CB  905   3.162   4.776   2.992
+   60SER    HB1  906   3.195   4.869   2.974
+   60SER    HB2  907   3.225   4.710   2.951
+   60SER     OG  908   3.041   4.763   2.923
+   60SER     HG  909   3.057   4.780   2.825
+   60SER      C  910   3.067   4.861   3.203
+   60SER      O  911   3.103   4.980   3.190
+   61ARG      N  912   2.951   4.828   3.253
+   61ARG      H  913   2.918   4.734   3.244
+   61ARG     CA  914   2.867   4.927   3.324
+   61ARG     HA  915   2.867   5.005   3.261
+   61ARG     CB  916   2.725   4.882   3.342
+   61ARG    HB1  917   2.695   4.835   3.258
+   61ARG    HB2  918   2.722   4.817   3.418
+   61ARG     CG  919   2.630   4.997   3.371
+   61ARG    HG1  920   2.665   5.056   3.443
+   61ARG    HG2  921   2.612   5.051   3.289
+   61ARG     CD  922   2.504   4.928   3.417
+   61ARG    HD1  923   2.464   4.875   3.341
+   61ARG    HD2  924   2.525   4.866   3.493
+   61ARG     NE  925   2.408   5.027   3.461
+   61ARG     HE  926   2.439   5.117   3.494
+   61ARG     CZ  927   2.277   4.997   3.456
+   61ARG    NH1  928   2.242   4.888   3.389
+   61ARG   HH11  929   2.312   4.832   3.344
+   61ARG   HH12  930   2.146   4.862   3.383
+   61ARG    NH2  931   2.191   5.087   3.502
+   61ARG   HH21  932   2.223   5.174   3.539
+   61ARG   HH22  933   2.092   5.067   3.500
+   61ARG      C  934   2.926   4.973   3.456
+   61ARG      O  935   2.926   5.095   3.479
+   62TRP      N  936   2.975   4.882   3.540
+   62TRP      H  937   2.975   4.786   3.512
+   62TRP     CA  938   3.030   4.918   3.670
+   62TRP     HA  939   2.993   5.011   3.680
+   62TRP     CB  940   2.981   4.823   3.780
+   62TRP    HB1  941   3.028   4.735   3.770
+   62TRP    HB2  942   3.003   4.862   3.870
+   62TRP     CG  943   2.834   4.798   3.777
+   62TRP    CD1  944   2.770   4.687   3.731
+   62TRP    HD1  945   2.815   4.602   3.704
+   62TRP    CD2  946   2.731   4.892   3.810
+   62TRP    NE1  947   2.634   4.708   3.728
+   62TRP    HE1  948   2.566   4.642   3.695
+   62TRP    CE2  949   2.607   4.832   3.777
+   62TRP    CE3  950   2.731   5.020   3.864
+   62TRP    HE3  951   2.817   5.066   3.886
+   62TRP    CZ2  952   2.485   4.895   3.798
+   62TRP    HZ2  953   2.399   4.849   3.777
+   62TRP    CZ3  954   2.610   5.083   3.886
+   62TRP    HZ3  955   2.608   5.173   3.929
+   62TRP    CH2  956   2.489   5.023   3.848
+   62TRP    HH2  957   2.403   5.074   3.859
+   62TRP      C  958   3.183   4.926   3.677
+   62TRP      O  959   3.230   5.002   3.764
+   63TRP      N  960   3.252   4.835   3.609
+   63TRP      H  961   3.207   4.788   3.533
+   63TRP     CA  962   3.389   4.802   3.639
+   63TRP     HA  963   3.391   4.868   3.714
+   63TRP     CB  964   3.405   4.654   3.678
+   63TRP    HB1  965   3.399   4.598   3.596
+   63TRP    HB2  966   3.494   4.641   3.721
+   63TRP     CG  967   3.302   4.605   3.774
+   63TRP    CD1  968   3.194   4.524   3.745
+   63TRP    HD1  969   3.171   4.490   3.653
+   63TRP    CD2  970   3.290   4.635   3.912
+   63TRP    NE1  971   3.122   4.496   3.857
+   63TRP    HE1  972   3.045   4.434   3.863
+   63TRP    CE2  973   3.174   4.569   3.960
+   63TRP    CE3  974   3.367   4.710   3.999
+   63TRP    HE3  975   3.450   4.756   3.967
+   63TRP    CZ2  976   3.137   4.575   4.095
+   63TRP    HZ2  977   3.057   4.526   4.129
+   63TRP    CZ3  978   3.328   4.721   4.132
+   63TRP    HZ3  979   3.381   4.778   4.195
+   63TRP    CH2  980   3.216   4.653   4.179
+   63TRP    HH2  981   3.191   4.661   4.275
+   63TRP      C  982   3.507   4.854   3.562
+   63TRP      O  983   3.612   4.880   3.624
+   64CYS      N  984   3.494   4.853   3.432
+   64CYS      H  985   3.410   4.815   3.393
+   64CYS     CA  986   3.596   4.905   3.340
+   64CYS     HA  987   3.664   4.956   3.393
+   64CYS     CB  988   3.662   4.788   3.268
+   64CYS    HB1  989   3.734   4.832   3.214
+   64CYS    HB2  990   3.703   4.736   3.342
+   64CYS     SG  991   3.554   4.685   3.166
+   64CYS      C  992   3.530   4.998   3.238
+   64CYS      O  993   3.408   4.993   3.220
+   65ASN      N  994   3.614   5.079   3.176
+   65ASN      H  995   3.711   5.074   3.198
+   65ASN     CA  996   3.568   5.175   3.075
+   65ASN     HA  997   3.469   5.182   3.089
+   65ASN     CB  998   3.636   5.311   3.096
+   65ASN    HB1  999   3.611   5.349   3.185
+   65ASN    HB2 1000   3.735   5.301   3.091
+   65ASN     CG 1001   3.589   5.404   2.985
+   65ASN    OD1 1002   3.472   5.418   2.953
+   65ASN    ND2 1003   3.689   5.456   2.914
+   65ASN   HD21 1004   3.784   5.432   2.937
+   65ASN   HD22 1005   3.671   5.518   2.839
+   65ASN      C 1006   3.596   5.127   2.933
+   65ASN      O 1007   3.711   5.094   2.902
+   66ASP      N 1008   3.490   5.110   2.855
+   66ASP      H 1009   3.398   5.119   2.894
+   66ASP     CA 1010   3.508   5.080   2.712
+   66ASP     HA 1011   3.607   5.071   2.700
+   66ASP     CB 1012   3.444   4.948   2.678
+   66ASP    HB1 1013   3.472   4.923   2.585
+   66ASP    HB2 1014   3.477   4.879   2.742
+   66ASP     CG 1015   3.293   4.952   2.684
+   66ASP    OD1 1016   3.227   5.052   2.713
+   66ASP    OD2 1017   3.243   4.839   2.662
+   66ASP      C 1018   3.464   5.194   2.621
+   66ASP      O 1019   3.470   5.176   2.500
+   67GLY      N 1020   3.421   5.303   2.681
+   67GLY      H 1021   3.417   5.303   2.781
+   67GLY     CA 1022   3.380   5.423   2.609
+   67GLY    HA1 1023   3.369   5.494   2.678
+   67GLY    HA2 1024   3.455   5.446   2.548
+   67GLY      C 1025   3.252   5.417   2.527
+   67GLY      O 1026   3.217   5.516   2.461
+   68ARG      N 1027   3.180   5.306   2.532
+   68ARG      H 1028   3.212   5.230   2.588
+   68ARG     CA 1029   3.054   5.293   2.458
+   68ARG     HA 1030   3.031   5.387   2.432
+   68ARG     CB 1031   3.073   5.207   2.333
+   68ARG    HB1 1032   2.986   5.202   2.284
+   68ARG    HB2 1033   3.142   5.249   2.274
+   68ARG     CG 1034   3.118   5.067   2.372
+   68ARG    HG1 1035   3.201   5.073   2.427
+   68ARG    HG2 1036   3.046   5.023   2.426
+   68ARG     CD 1037   3.146   4.981   2.255
+   68ARG    HD1 1038   3.150   5.037   2.172
+   68ARG    HD2 1039   3.233   4.933   2.267
+   68ARG     NE 1040   3.042   4.882   2.239
+   68ARG     HE 1041   3.064   4.793   2.278
+   68ARG     CZ 1042   2.922   4.888   2.182
+   68ARG    NH1 1043   2.848   4.993   2.152
+   68ARG   HH11 1044   2.882   5.085   2.174
+   68ARG   HH12 1045   2.759   4.981   2.109
+   68ARG    NH2 1046   2.888   4.775   2.117
+   68ARG   HH21 1047   2.950   4.697   2.116
+   68ARG   HH22 1048   2.799   4.769   2.071
+   68ARG      C 1049   2.940   5.238   2.543
+   68ARG      O 1050   2.837   5.200   2.488
+   69THR      N 1051   2.957   5.252   2.672
+   69THR      H 1052   3.040   5.297   2.705
+   69THR     CA 1053   2.859   5.203   2.770
+   69THR     HA 1054   2.791   5.157   2.712
+   69THR     CB 1055   2.919   5.100   2.876
+   69THR     HB 1056   2.989   5.137   2.937
+   69THR    OG1 1057   2.983   4.995   2.795
+   69THR    HG1 1058   3.023   4.927   2.856
+   69THR    CG2 1059   2.810   5.048   2.971
+   69THR   HG21 1060   2.851   4.984   3.037
+   69THR   HG22 1061   2.770   5.125   3.021
+   69THR   HG23 1062   2.739   5.001   2.919
+   69THR      C 1063   2.797   5.322   2.845
+   69THR      O 1064   2.866   5.386   2.924
+   70PRO      N 1065   2.667   5.336   2.825
+   70PRO     CA 1066   2.593   5.444   2.894
+   70PRO     HA 1067   2.634   5.535   2.881
+   70PRO     CB 1068   2.454   5.437   2.834
+   70PRO    HB1 1069   2.393   5.382   2.891
+   70PRO    HB2 1070   2.415   5.528   2.822
+   70PRO     CG 1071   2.474   5.371   2.700
+   70PRO    HG1 1072   2.390   5.324   2.671
+   70PRO    HG2 1073   2.499   5.439   2.631
+   70PRO     CD 1074   2.587   5.271   2.721
+   70PRO    HD1 1075   2.553   5.183   2.752
+   70PRO    HD2 1076   2.641   5.259   2.638
+   70PRO      C 1077   2.594   5.414   3.043
+   70PRO      O 1078   2.572   5.298   3.078
+   71GLY      N 1079   2.614   5.511   3.127
+   71GLY      H 1080   2.634   5.601   3.088
+   71GLY     CA 1081   2.612   5.500   3.272
+   71GLY    HA1 1082   2.604   5.593   3.308
+   71GLY    HA2 1083   2.529   5.449   3.295
+   71GLY      C 1084   2.731   5.433   3.338
+   71GLY      O 1085   2.724   5.388   3.454
+   72SER      N 1086   2.840   5.425   3.265
+   72SER      H 1087   2.838   5.466   3.174
+   72SER     CA 1088   2.964   5.360   3.308
+   72SER     HA 1089   2.948   5.263   3.328
+   72SER     CB 1090   3.064   5.362   3.193
+   72SER    HB1 1091   3.043   5.288   3.129
+   72SER    HB2 1092   3.058   5.450   3.146
+   72SER     OG 1093   3.200   5.345   3.233
+   72SER     HG 1094   3.258   5.348   3.152
+   72SER      C 1095   3.012   5.420   3.439
+   72SER      O 1096   3.003   5.544   3.454
+   73ARG      N 1097   3.063   5.339   3.530
+   73ARG      H 1098   3.059   5.241   3.511
+   73ARG     CA 1099   3.123   5.382   3.656
+   73ARG     HA 1100   3.101   5.479   3.646
+   73ARG     CB 1101   3.059   5.317   3.780
+   73ARG    HB1 1102   3.059   5.218   3.767
+   73ARG    HB2 1103   3.116   5.340   3.859
+   73ARG     CG 1104   2.917   5.360   3.811
+   73ARG    HG1 1105   2.864   5.369   3.726
+   73ARG    HG2 1106   2.873   5.293   3.871
+   73ARG     CD 1107   2.919   5.492   3.879
+   73ARG    HD1 1108   2.981   5.486   3.958
+   73ARG    HD2 1109   2.953   5.560   3.815
+   73ARG     NE 1110   2.791   5.539   3.929
+   73ARG     HE 1111   2.772   5.532   4.027
+   73ARG     CZ 1112   2.696   5.592   3.849
+   73ARG    NH1 1113   2.682   5.555   3.721
+   73ARG   HH11 1114   2.743   5.487   3.682
+   73ARG   HH12 1115   2.611   5.597   3.665
+   73ARG    NH2 1116   2.655   5.717   3.882
+   73ARG   HH21 1117   2.695   5.763   3.960
+   73ARG   HH22 1118   2.585   5.762   3.827
+   73ARG      C 1119   3.275   5.368   3.670
+   73ARG      O 1120   3.341   5.437   3.752
+   74ASN      N 1121   3.333   5.276   3.596
+   74ASN      H 1122   3.274   5.223   3.535
+   74ASN     CA 1123   3.476   5.245   3.598
+   74ASN     HA 1124   3.485   5.155   3.556
+   74ASN     CB 1125   3.555   5.341   3.508
+   74ASN    HB1 1126   3.505   5.351   3.422
+   74ASN    HB2 1127   3.560   5.429   3.554
+   74ASN     CG 1128   3.696   5.295   3.476
+   74ASN    OD1 1129   3.730   5.179   3.502
+   74ASN    ND2 1130   3.782   5.381   3.423
+   74ASN   HD21 1131   3.753   5.475   3.405
+   74ASN   HD22 1132   3.875   5.352   3.402
+   74ASN      C 1133   3.530   5.234   3.740
+   74ASN      O 1134   3.624   5.309   3.773
+   75LEU      N 1135   3.470   5.148   3.821
+   75LEU      H 1136   3.394   5.093   3.787
+   75LEU     CA 1137   3.513   5.131   3.960
+   75LEU     HA 1138   3.530   5.223   3.995
+   75LEU     CB 1139   3.399   5.067   4.040
+   75LEU    HB1 1140   3.366   4.987   3.990
+   75LEU    HB2 1141   3.435   5.039   4.129
+   75LEU     CG 1142   3.280   5.162   4.065
+   75LEU     HG 1143   3.260   5.214   3.982
+   75LEU    CD1 1144   3.155   5.081   4.101
+   75LEU   HD11 1145   3.079   5.144   4.116
+   75LEU   HD12 1146   3.133   5.019   4.025
+   75LEU   HD13 1147   3.173   5.028   4.184
+   75LEU    CD2 1148   3.314   5.259   4.178
+   75LEU   HD21 1149   3.236   5.320   4.194
+   75LEU   HD22 1150   3.333   5.207   4.261
+   75LEU   HD23 1151   3.394   5.313   4.153
+   75LEU      C 1152   3.650   5.063   3.975
+   75LEU      O 1153   3.715   5.082   4.081
+   76CYS      N 1154   3.695   4.993   3.873
+   76CYS      H 1155   3.639   4.983   3.791
+   76CYS     CA 1156   3.828   4.930   3.878
+   76CYS     HA 1157   3.839   4.916   3.976
+   76CYS     CB 1158   3.838   4.792   3.815
+   76CYS    HB1 1159   3.798   4.805   3.724
+   76CYS    HB2 1160   3.936   4.777   3.806
+   76CYS     SG 1161   3.757   4.658   3.903
+   76CYS      C 1162   3.937   5.022   3.826
+   76CYS      O 1163   4.055   4.985   3.824
+   77ASN      N 1164   3.894   5.130   3.764
+   77ASN      H 1165   3.796   5.142   3.756
+   77ASN     CA 1166   3.981   5.235   3.707
+   77ASN     HA 1167   3.920   5.300   3.662
+   77ASN     CB 1168   4.057   5.311   3.815
+   77ASN    HB1 1169   3.995   5.329   3.892
+   77ASN    HB2 1170   4.134   5.255   3.847
+   77ASN     CG 1171   4.111   5.443   3.763
+   77ASN    OD1 1172   4.033   5.521   3.707
+   77ASN    ND2 1173   4.241   5.463   3.772
+   77ASN   HD21 1174   4.300   5.393   3.812
+   77ASN   HD22 1175   4.281   5.549   3.738
+   77ASN      C 1176   4.069   5.178   3.597
+   77ASN      O 1177   4.193   5.195   3.598
+   78ILE      N 1178   4.013   5.103   3.505
+   78ILE      H 1179   3.914   5.087   3.510
+   78ILE     CA 1180   4.088   5.040   3.396
+   78ILE     HA 1181   4.172   5.094   3.387
+   78ILE     CB 1182   4.116   4.888   3.429
+   78ILE     HB 1183   4.142   4.837   3.346
+   78ILE    CG1 1184   3.986   4.826   3.482
+   78ILE   HG11 1185   3.962   4.874   3.566
+   78ILE   HG12 1186   3.915   4.841   3.413
+   78ILE    CG2 1187   4.242   4.862   3.515
+   78ILE   HG21 1188   4.252   4.764   3.531
+   78ILE   HG22 1189   4.322   4.897   3.467
+   78ILE   HG23 1190   4.232   4.910   3.602
+   78ILE     CD 1191   3.992   4.674   3.512
+   78ILE    HD1 1192   3.903   4.644   3.546
+   78ILE    HD2 1193   4.014   4.624   3.429
+   78ILE    HD3 1194   4.062   4.656   3.582
+   78ILE      C 1195   4.008   5.047   3.266
+   78ILE      O 1196   3.884   5.031   3.270
+   79PRO      N 1197   4.081   5.041   3.156
+   79PRO     CA 1198   4.017   5.025   3.025
+   79PRO     HA 1199   3.939   5.085   3.009
+   79PRO     CB 1200   4.124   5.059   2.923
+   79PRO    HB1 1201   4.128   4.988   2.852
+   79PRO    HB2 1202   4.105   5.147   2.880
+   79PRO     CG 1203   4.253   5.065   2.996
+   79PRO    HG1 1204   4.309   4.986   2.971
+   79PRO    HG2 1205   4.302   5.149   2.971
+   79PRO     CD 1206   4.226   5.064   3.146
+   79PRO    HD1 1207   4.275   4.991   3.191
+   79PRO    HD2 1208   4.250   5.152   3.187
+   79PRO      C 1209   3.977   4.877   3.022
+   79PRO      O 1210   4.056   4.789   3.067
+   80CYS      N 1211   3.861   4.853   2.964
+   80CYS      H 1212   3.804   4.929   2.933
+   80CYS     CA 1213   3.815   4.714   2.943
+   80CYS     HA 1214   3.812   4.682   3.038
+   80CYS     CB 1215   3.673   4.696   2.892
+   80CYS    HB1 1216   3.676   4.731   2.799
+   80CYS    HB2 1217   3.661   4.597   2.890
+   80CYS     SG 1218   3.545   4.778   2.991
+   80CYS      C 1219   3.913   4.634   2.860
+   80CYS      O 1220   3.919   4.510   2.879
+   81SER      N 1221   3.975   4.691   2.759
+   81SER      H 1222   3.951   4.786   2.739
+   81SER     CA 1223   4.076   4.629   2.674
+   81SER     HA 1224   4.022   4.560   2.626
+   81SER     CB 1225   4.136   4.726   2.572
+   81SER    HB1 1226   4.204   4.681   2.514
+   81SER    HB2 1227   4.065   4.768   2.514
+   81SER     OG 1228   4.201   4.830   2.644
+   81SER     HG 1229   4.242   4.895   2.579
+   81SER      C 1230   4.189   4.565   2.756
+   81SER      O 1231   4.232   4.456   2.711
+   82ALA      N 1232   4.221   4.619   2.872
+   82ALA      H 1233   4.174   4.702   2.903
+   82ALA     CA 1234   4.325   4.558   2.956
+   82ALA     HA 1235   4.402   4.542   2.894
+   82ALA     CB 1236   4.370   4.655   3.065
+   82ALA    HB1 1237   4.441   4.612   3.121
+   82ALA    HB2 1238   4.407   4.738   3.023
+   82ALA    HB3 1239   4.292   4.679   3.123
+   82ALA      C 1240   4.285   4.422   3.013
+   82ALA      O 1241   4.368   4.342   3.059
+   83LEU      N 1242   4.155   4.396   3.015
+   83LEU      H 1243   4.093   4.467   2.981
+   83LEU     CA 1244   4.095   4.271   3.063
+   83LEU     HA 1245   4.152   4.234   3.136
+   83LEU     CB 1246   3.960   4.304   3.124
+   83LEU    HB1 1247   3.904   4.344   3.051
+   83LEU    HB2 1248   3.919   4.218   3.153
+   83LEU     CG 1249   3.949   4.398   3.243
+   83LEU     HG 1250   3.991   4.484   3.213
+   83LEU    CD1 1251   3.802   4.419   3.281
+   83LEU   HD11 1252   3.797   4.481   3.360
+   83LEU   HD12 1253   3.752   4.459   3.204
+   83LEU   HD13 1254   3.761   4.331   3.306
+   83LEU    CD2 1255   4.026   4.349   3.365
+   83LEU   HD21 1256   4.015   4.415   3.440
+   83LEU   HD22 1257   3.990   4.260   3.393
+   83LEU   HD23 1258   4.123   4.340   3.342
+   83LEU      C 1259   4.104   4.158   2.962
+   83LEU      O 1260   4.065   4.044   2.993
+   84LEU      N 1261   4.145   4.189   2.840
+   84LEU      H 1262   4.168   4.284   2.821
+   84LEU     CA 1263   4.159   4.092   2.732
+   84LEU     HA 1264   4.111   4.010   2.765
+   84LEU     CB 1265   4.089   4.141   2.606
+   84LEU    HB1 1266   4.140   4.222   2.575
+   84LEU    HB2 1267   4.098   4.069   2.537
+   84LEU     CG 1268   3.943   4.180   2.610
+   84LEU     HG 1269   3.931   4.247   2.683
+   84LEU    CD1 1270   3.899   4.239   2.475
+   84LEU   HD11 1271   3.803   4.264   2.480
+   84LEU   HD12 1272   3.954   4.320   2.455
+   84LEU   HD13 1273   3.913   4.171   2.403
+   84LEU    CD2 1274   3.858   4.056   2.634
+   84LEU   HD21 1275   3.761   4.082   2.637
+   84LEU   HD22 1276   3.873   3.991   2.560
+   84LEU   HD23 1277   3.884   4.015   2.721
+   84LEU      C 1278   4.303   4.046   2.710
+   84LEU      O 1279   4.331   3.986   2.605
+   85SER      N 1280   4.392   4.082   2.799
+   85SER      H 1281   4.364   4.142   2.874
+   85SER     CA 1282   4.532   4.037   2.794
+   85SER     HA 1283   4.565   4.060   2.703
+   85SER     CB 1284   4.609   4.110   2.904
+   85SER    HB1 1285   4.595   4.209   2.899
+   85SER    HB2 1286   4.583   4.077   2.995
+   85SER     OG 1287   4.746   4.083   2.884
+   85SER     HG 1288   4.800   4.130   2.954
+   85SER      C 1289   4.545   3.886   2.817
+   85SER      O 1290   4.474   3.826   2.899
+   86SER      N 1291   4.660   3.836   2.773
+   86SER      H 1292   4.722   3.895   2.721
+   86SER     CA 1293   4.699   3.696   2.797
+   86SER     HA 1294   4.618   3.642   2.777
+   86SER     CB 1295   4.809   3.649   2.702
+   86SER    HB1 1296   4.861   3.725   2.664
+   86SER    HB2 1297   4.871   3.584   2.746
+   86SER     OG 1298   4.738   3.583   2.598
+   86SER     HG 1299   4.803   3.549   2.530
+   86SER      C 1300   4.737   3.677   2.944
+   86SER      O 1301   4.729   3.567   3.000
+   87ASP      N 1302   4.783   3.786   3.000
+   87ASP      H 1303   4.788   3.868   2.942
+   87ASP     CA 1304   4.826   3.801   3.140
+   87ASP     HA 1305   4.874   3.720   3.173
+   87ASP     CB 1306   4.920   3.923   3.146
+   87ASP    HB1 1307   4.999   3.902   3.088
+   87ASP    HB2 1308   4.871   4.001   3.108
+   87ASP     CG 1309   4.974   3.966   3.280
+   87ASP    OD1 1310   4.932   3.932   3.393
+   87ASP    OD2 1311   5.077   4.042   3.274
+   87ASP      C 1312   4.698   3.828   3.220
+   87ASP      O 1313   4.647   3.938   3.196
+   88ILE      N 1314   4.671   3.747   3.321
+   88ILE      H 1315   4.732   3.671   3.343
+   88ILE     CA 1316   4.549   3.771   3.401
+   88ILE     HA 1317   4.491   3.812   3.332
+   88ILE     CB 1318   4.497   3.636   3.462
+   88ILE     HB 1319   4.412   3.650   3.513
+   88ILE    CG1 1320   4.590   3.582   3.574
+   88ILE   HG11 1321   4.665   3.535   3.528
+   88ILE   HG12 1322   4.625   3.662   3.622
+   88ILE    CG2 1323   4.457   3.536   3.351
+   88ILE   HG21 1324   4.424   3.451   3.392
+   88ILE   HG22 1325   4.384   3.577   3.295
+   88ILE   HG23 1326   4.536   3.517   3.293
+   88ILE     CD 1327   4.534   3.485   3.681
+   88ILE    HD1 1328   4.607   3.460   3.745
+   88ILE    HD2 1329   4.460   3.529   3.731
+   88ILE    HD3 1330   4.500   3.402   3.636
+   88ILE      C 1331   4.556   3.876   3.511
+   88ILE      O 1332   4.458   3.893   3.587
+   89THR      N 1333   4.672   3.941   3.530
+   89THR      H 1334   4.749   3.920   3.470
+   89THR     CA 1335   4.689   4.039   3.636
+   89THR     HA 1336   4.689   3.977   3.715
+   89THR     CB 1337   4.825   4.121   3.625
+   89THR     HB 1338   4.833   4.178   3.543
+   89THR    OG1 1339   4.932   4.021   3.616
+   89THR    HG1 1340   5.020   4.068   3.608
+   89THR    CG2 1341   4.840   4.217   3.744
+   89THR   HG21 1342   4.926   4.268   3.735
+   89THR   HG22 1343   4.763   4.281   3.745
+   89THR   HG23 1344   4.841   4.165   3.829
+   89THR      C 1345   4.572   4.138   3.651
+   89THR      O 1346   4.532   4.160   3.767
+   90ALA      N 1347   4.549   4.210   3.543
+   90ALA      H 1348   4.601   4.192   3.460
+   90ALA     CA 1349   4.446   4.317   3.543
+   90ALA     HA 1350   4.479   4.386   3.608
+   90ALA     CB 1351   4.435   4.383   3.405
+   90ALA    HB1 1352   4.365   4.455   3.408
+   90ALA    HB2 1353   4.523   4.423   3.380
+   90ALA    HB3 1354   4.409   4.314   3.337
+   90ALA      C 1355   4.310   4.269   3.594
+   90ALA      O 1356   4.235   4.329   3.674
+   91SER      N 1357   4.273   4.154   3.537
+   91SER      H 1358   4.335   4.112   3.471
+   91SER     CA 1359   4.147   4.084   3.565
+   91SER     HA 1360   4.076   4.149   3.541
+   91SER     CB 1361   4.126   3.965   3.475
+   91SER    HB1 1362   4.208   3.908   3.476
+   91SER    HB2 1363   4.048   3.912   3.508
+   91SER     OG 1364   4.100   3.995   3.341
+   91SER     HG 1365   4.087   3.911   3.290
+   91SER      C 1366   4.141   4.044   3.714
+   91SER      O 1367   4.039   4.068   3.778
+   92VAL      N 1368   4.248   3.983   3.762
+   92VAL      H 1369   4.324   3.962   3.701
+   92VAL     CA 1370   4.257   3.947   3.905
+   92VAL     HA 1371   4.179   3.888   3.925
+   92VAL     CB 1372   4.387   3.866   3.932
+   92VAL     HB 1373   4.468   3.908   3.891
+   92VAL    CG1 1374   4.411   3.861   4.082
+   92VAL   HG11 1375   4.494   3.809   4.101
+   92VAL   HG12 1376   4.420   3.954   4.117
+   92VAL   HG13 1377   4.333   3.816   4.127
+   92VAL    CG2 1378   4.376   3.729   3.868
+   92VAL   HG21 1379   4.459   3.677   3.886
+   92VAL   HG22 1380   4.297   3.681   3.907
+   92VAL   HG23 1381   4.363   3.739   3.770
+   92VAL      C 1382   4.246   4.073   3.993
+   92VAL      O 1383   4.170   4.064   4.091
+   93ASN      N 1384   4.318   4.178   3.958
+   93ASN      H 1385   4.376   4.173   3.877
+   93ASN     CA 1386   4.314   4.303   4.035
+   93ASN     HA 1387   4.344   4.268   4.124
+   93ASN     CB 1388   4.415   4.409   3.992
+   93ASN    HB1 1389   4.411   4.419   3.892
+   93ASN    HB2 1390   4.392   4.496   4.035
+   93ASN     CG 1391   4.556   4.370   4.031
+   93ASN    OD1 1392   4.653   4.429   3.979
+   93ASN    ND2 1393   4.569   4.281   4.130
+   93ASN   HD21 1394   4.488   4.243   4.174
+   93ASN   HD22 1395   4.660   4.252   4.160
+   93ASN      C 1396   4.173   4.365   4.047
+   93ASN      O 1397   4.134   4.401   4.158
+   94CYS      N 1398   4.108   4.362   3.934
+   94CYS      H 1399   4.152   4.328   3.851
+   94CYS     CA 1400   3.967   4.407   3.930
+   94CYS     HA 1401   3.961   4.494   3.979
+   94CYS     CB 1402   3.927   4.432   3.786
+   94CYS    HB1 1403   3.998   4.493   3.749
+   94CYS    HB2 1404   3.933   4.343   3.741
+   94CYS     SG 1405   3.762   4.505   3.772
+   94CYS      C 1406   3.876   4.315   4.009
+   94CYS      O 1407   3.795   4.365   4.091
+   95ALA      N 1408   3.892   4.185   3.993
+   95ALA      H 1409   3.963   4.153   3.930
+   95ALA     CA 1410   3.811   4.085   4.064
+   95ALA     HA 1411   3.720   4.109   4.031
+   95ALA     CB 1412   3.848   3.941   4.028
+   95ALA    HB1 1413   3.789   3.879   4.079
+   95ALA    HB2 1414   3.834   3.927   3.930
+   95ALA    HB3 1415   3.943   3.924   4.052
+   95ALA      C 1416   3.822   4.095   4.216
+   95ALA      O 1417   3.720   4.080   4.285
+   96LYS      N 1418   3.940   4.125   4.266
+   96LYS      H 1419   4.019   4.128   4.204
+   96LYS     CA 1420   3.961   4.153   4.409
+   96LYS     HA 1421   3.928   4.070   4.453
+   96LYS     CB 1422   4.108   4.173   4.444
+   96LYS    HB1 1423   4.148   4.239   4.380
+   96LYS    HB2 1424   4.114   4.209   4.538
+   96LYS     CG 1425   4.185   4.041   4.437
+   96LYS    HG1 1426   4.154   3.979   4.509
+   96LYS    HG2 1427   4.170   3.999   4.348
+   96LYS     CD 1428   4.334   4.069   4.455
+   96LYS    HD1 1429   4.365   4.125   4.378
+   96LYS    HD2 1430   4.346   4.120   4.540
+   96LYS     CE 1431   4.418   3.944   4.461
+   96LYS    HE1 1432   4.388   3.885   4.536
+   96LYS    HE2 1433   4.412   3.893   4.375
+   96LYS     NZ 1434   4.559   3.986   4.484
+   96LYS    HZ1 1435   4.618   3.906   4.488
+   96LYS    HZ2 1436   4.589   4.045   4.409
+   96LYS    HZ3 1437   4.565   4.037   4.570
+   96LYS      C 1438   3.878   4.274   4.458
+   96LYS      O 1439   3.828   4.263   4.570
+   97LYS      N 1440   3.864   4.372   4.372
+   97LYS      H 1441   3.911   4.368   4.284
+   97LYS     CA 1442   3.779   4.488   4.405
+   97LYS     HA 1443   3.806   4.513   4.498
+   97LYS     CB 1444   3.807   4.608   4.314
+   97LYS    HB1 1445   3.787   4.581   4.220
+   97LYS    HB2 1446   3.747   4.683   4.341
+   97LYS     CG 1447   3.952   4.655   4.323
+   97LYS    HG1 1448   3.970   4.685   4.417
+   97LYS    HG2 1449   4.012   4.578   4.301
+   97LYS     CD 1450   3.982   4.769   4.228
+   97LYS    HD1 1451   3.946   4.747   4.137
+   97LYS    HD2 1452   3.939   4.853   4.262
+   97LYS     CE 1453   4.132   4.791   4.218
+   97LYS    HE1 1454   4.171   4.803   4.309
+   97LYS    HE2 1455   4.175   4.713   4.173
+   97LYS     NZ 1456   4.155   4.914   4.138
+   97LYS    HZ1 1457   4.253   4.931   4.130
+   97LYS    HZ2 1458   4.115   4.903   4.047
+   97LYS    HZ3 1459   4.111   4.992   4.183
+   97LYS      C 1460   3.631   4.452   4.406
+   97LYS      O 1461   3.555   4.494   4.494
+   98ILE      N 1462   3.588   4.375   4.309
+   98ILE      H 1463   3.654   4.343   4.241
+   98ILE     CA 1464   3.450   4.331   4.294
+   98ILE     HA 1465   3.397   4.416   4.296
+   98ILE     CB 1466   3.429   4.262   4.157
+   98ILE     HB 1467   3.494   4.187   4.149
+   98ILE    CG1 1468   3.462   4.353   4.037
+   98ILE   HG11 1469   3.396   4.427   4.036
+   98ILE   HG12 1470   3.554   4.391   4.052
+   98ILE    CG2 1471   3.287   4.201   4.149
+   98ILE   HG21 1472   3.274   4.156   4.060
+   98ILE   HG22 1473   3.275   4.133   4.222
+   98ILE   HG23 1474   3.219   4.273   4.159
+   98ILE     CD 1475   3.460   4.282   3.899
+   98ILE    HD1 1476   3.483   4.348   3.828
+   98ILE    HD2 1477   3.527   4.208   3.899
+   98ILE    HD3 1478   3.369   4.245   3.882
+   98ILE      C 1479   3.401   4.249   4.412
+   98ILE      O 1480   3.304   4.287   4.480
+   99VAL      N 1481   3.486   4.159   4.458
+   99VAL      H 1482   3.578   4.155   4.421
+   99VAL     CA 1483   3.447   4.063   4.563
+   99VAL     HA 1484   3.353   4.032   4.546
+   99VAL     CB 1485   3.538   3.939   4.553
+   99VAL     HB 1486   3.542   3.909   4.458
+   99VAL    CG1 1487   3.679   3.976   4.595
+   99VAL   HG11 1488   3.738   3.895   4.588
+   99VAL   HG12 1489   3.714   4.047   4.535
+   99VAL   HG13 1490   3.678   4.009   4.689
+   99VAL    CG2 1491   3.481   3.821   4.630
+   99VAL   HG21 1492   3.543   3.743   4.622
+   99VAL   HG22 1493   3.472   3.846   4.727
+   99VAL   HG23 1494   3.392   3.797   4.593
+   99VAL      C 1495   3.441   4.132   4.699
+   99VAL      O 1496   3.372   4.083   4.790
+  100SER      N 1497   3.519   4.237   4.708
+  100SER      H 1498   3.572   4.265   4.629
+  100SER     CA 1499   3.528   4.315   4.832
+  100SER     HA 1500   3.521   4.252   4.910
+  100SER     CB 1501   3.663   4.381   4.839
+  100SER    HB1 1502   3.678   4.436   4.757
+  100SER    HB2 1503   3.667   4.440   4.920
+  100SER     OG 1504   3.769   4.288   4.849
+  100SER     HG 1505   3.856   4.338   4.853
+  100SER      C 1506   3.410   4.412   4.843
+  100SER      O 1507   3.398   4.475   4.949
+  101ASP      N 1508   3.329   4.422   4.742
+  101ASP      H 1509   3.347   4.363   4.664
+  101ASP     CA 1510   3.214   4.511   4.732
+  101ASP     HA 1511   3.255   4.590   4.779
+  101ASP     CB 1512   3.179   4.547   4.588
+  101ASP    HB1 1513   3.258   4.527   4.530
+  101ASP    HB2 1514   3.101   4.491   4.559
+  101ASP     CG 1515   3.141   4.694   4.568
+  101ASP    OD1 1516   3.223   4.784   4.594
+  101ASP    OD2 1517   3.026   4.714   4.522
+  101ASP      C 1518   3.090   4.480   4.815
+  101ASP      O 1519   3.011   4.576   4.835
+  102GLY      N 1520   3.070   4.356   4.856
+  102GLY      H 1521   3.129   4.282   4.823
+  102GLY     CA 1522   2.960   4.328   4.949
+  102GLY    HA1 1523   3.000   4.317   5.040
+  102GLY    HA2 1524   2.899   4.407   4.949
+  102GLY      C 1525   2.879   4.203   4.917
+  102GLY      O 1526   2.817   4.152   5.013
+  103ASN      N 1527   2.878   4.162   4.791
+  103ASN      H 1528   2.928   4.215   4.722
+  103ASN     CA 1529   2.806   4.042   4.752
+  103ASN     HA 1530   2.755   4.018   4.834
+  103ASN     CB 1531   2.696   4.067   4.649
+  103ASN    HB1 1532   2.672   4.164   4.651
+  103ASN    HB2 1533   2.731   4.043   4.559
+  103ASN     CG 1534   2.569   3.987   4.673
+  103ASN    OD1 1535   2.549   3.920   4.777
+  103ASN    ND2 1536   2.465   4.005   4.591
+  103ASN   HD21 1537   2.472   4.070   4.516
+  103ASN   HD22 1538   2.381   3.953   4.605
+  103ASN      C 1539   2.897   3.922   4.727
+  103ASN      O 1540   2.845   3.820   4.679
+  104GLY      N 1541   3.022   3.933   4.767
+  104GLY      H 1542   3.054   4.019   4.807
+  104GLY     CA 1543   3.116   3.819   4.753
+  104GLY    HA1 1544   3.207   3.847   4.781
+  104GLY    HA2 1545   3.085   3.744   4.811
+  104GLY      C 1546   3.115   3.776   4.606
+  104GLY      O 1547   3.113   3.866   4.521
+  105MET      N 1548   3.116   3.647   4.578
+  105MET      H 1549   3.111   3.580   4.653
+  105MET     CA 1550   3.126   3.599   4.439
+  105MET     HA 1551   3.179   3.668   4.391
+  105MET     CB 1552   3.202   3.467   4.430
+  105MET    HB1 1553   3.165   3.404   4.499
+  105MET    HB2 1554   3.188   3.428   4.339
+  105MET     CG 1555   3.350   3.484   4.454
+  105MET    HG1 1556   3.378   3.560   4.395
+  105MET    HG2 1557   3.359   3.511   4.550
+  105MET     SD 1558   3.436   3.328   4.416
+  105MET     CE 1559   3.435   3.333   4.237
+  105MET    HE1 1560   3.480   3.251   4.202
+  105MET    HE2 1561   3.340   3.335   4.205
+  105MET    HE3 1562   3.484   3.414   4.206
+  105MET      C 1563   2.990   3.593   4.373
+  105MET      O 1564   2.988   3.554   4.254
+  106ASN      N 1565   2.888   3.646   4.441
+  106ASN      H 1566   2.901   3.681   4.533
+  106ASN     CA 1567   2.754   3.652   4.377
+  106ASN     HA 1568   2.736   3.559   4.344
+  106ASN     CB 1569   2.640   3.677   4.475
+  106ASN    HB1 1570   2.663   3.756   4.533
+  106ASN    HB2 1571   2.556   3.696   4.425
+  106ASN     CG 1572   2.619   3.556   4.564
+  106ASN    OD1 1573   2.582   3.449   4.511
+  106ASN    ND2 1574   2.652   3.567   4.693
+  106ASN   HD21 1575   2.690   3.653   4.727
+  106ASN   HD22 1576   2.640   3.489   4.754
+  106ASN      C 1577   2.755   3.745   4.256
+  106ASN      O 1578   2.666   3.737   4.169
+  107ALA      N 1579   2.860   3.827   4.247
+  107ALA      H 1580   2.926   3.829   4.322
+  107ALA     CA 1581   2.880   3.913   4.130
+  107ALA     HA 1582   2.796   3.967   4.123
+  107ALA     CB 1583   3.004   3.999   4.155
+  107ALA    HB1 1584   3.019   4.059   4.076
+  107ALA    HB2 1585   2.990   4.055   4.237
+  107ALA    HB3 1586   3.084   3.940   4.168
+  107ALA      C 1587   2.899   3.836   4.000
+  107ALA      O 1588   2.871   3.891   3.893
+  108TRP      N 1589   2.935   3.708   4.010
+  108TRP      H 1590   2.952   3.669   4.101
+  108TRP     CA 1591   2.951   3.624   3.891
+  108TRP     HA 1592   2.956   3.685   3.812
+  108TRP     CB 1593   3.082   3.545   3.901
+  108TRP    HB1 1594   3.093   3.508   3.993
+  108TRP    HB2 1595   3.081   3.469   3.835
+  108TRP     CG 1596   3.198   3.636   3.870
+  108TRP    CD1 1597   3.234   3.685   3.747
+  108TRP    HD1 1598   3.190   3.662   3.660
+  108TRP    CD2 1599   3.278   3.706   3.966
+  108TRP    NE1 1600   3.339   3.772   3.762
+  108TRP    HE1 1601   3.387   3.818   3.687
+  108TRP    CE2 1602   3.369   3.786   3.894
+  108TRP    CE3 1603   3.281   3.705   4.105
+  108TRP    HE3 1604   3.217   3.649   4.157
+  108TRP    CZ2 1605   3.466   3.860   3.959
+  108TRP    HZ2 1606   3.533   3.914   3.907
+  108TRP    CZ3 1607   3.375   3.782   4.170
+  108TRP    HZ3 1608   3.378   3.784   4.270
+  108TRP    CH2 1609   3.467   3.858   4.097
+  108TRP    HH2 1610   3.535   3.912   4.146
+  108TRP      C 1611   2.830   3.531   3.878
+  108TRP      O 1612   2.822   3.444   3.966
+  109VAL      N 1613   2.747   3.554   3.777
+  109VAL      H 1614   2.766   3.625   3.709
+  109VAL     CA 1615   2.625   3.472   3.769
+  109VAL     HA 1616   2.585   3.480   3.861
+  109VAL     CB 1617   2.513   3.528   3.681
+  109VAL     HB 1618   2.488   3.616   3.723
+  109VAL    CG1 1619   2.559   3.553   3.539
+  109VAL   HG11 1620   2.483   3.589   3.485
+  109VAL   HG12 1621   2.634   3.618   3.539
+  109VAL   HG13 1622   2.589   3.466   3.498
+  109VAL    CG2 1623   2.388   3.440   3.681
+  109VAL   HG21 1624   2.319   3.482   3.622
+  109VAL   HG22 1625   2.412   3.350   3.646
+  109VAL   HG23 1626   2.352   3.432   3.774
+  109VAL      C 1627   2.655   3.323   3.755
+  109VAL      O 1628   2.590   3.243   3.826
+  110ALA      N 1629   2.754   3.293   3.674
+  110ALA      H 1630   2.805   3.368   3.632
+  110ALA     CA 1631   2.795   3.155   3.643
+  110ALA     HA 1632   2.710   3.111   3.615
+  110ALA     CB 1633   2.884   3.140   3.521
+  110ALA    HB1 1634   2.906   3.043   3.509
+  110ALA    HB2 1635   2.836   3.174   3.441
+  110ALA    HB3 1636   2.968   3.192   3.535
+  110ALA      C 1637   2.848   3.086   3.768
+  110ALA      O 1638   2.818   2.967   3.784
+  111TRP      N 1639   2.910   3.160   3.856
+  111TRP      H 1640   2.929   3.256   3.833
+  111TRP     CA 1641   2.953   3.112   3.987
+  111TRP     HA 1642   3.009   3.031   3.967
+  111TRP     CB 1643   3.047   3.207   4.060
+  111TRP    HB1 1644   3.130   3.220   4.006
+  111TRP    HB2 1645   3.001   3.295   4.073
+  111TRP     CG 1646   3.084   3.152   4.192
+  111TRP    CD1 1647   3.184   3.060   4.216
+  111TRP    HD1 1648   3.247   3.025   4.146
+  111TRP    CD2 1649   3.018   3.171   4.317
+  111TRP    NE1 1650   3.183   3.021   4.348
+  111TRP    HE1 1651   3.248   2.958   4.391
+  111TRP    CE2 1652   3.078   3.084   4.410
+  111TRP    CE3 1653   2.916   3.258   4.358
+  111TRP    HE3 1654   2.871   3.318   4.292
+  111TRP    CZ2 1655   3.047   3.090   4.545
+  111TRP    HZ2 1656   3.099   3.038   4.613
+  111TRP    CZ3 1657   2.880   3.257   4.491
+  111TRP    HZ3 1658   2.807   3.319   4.522
+  111TRP    CH2 1659   2.942   3.173   4.583
+  111TRP    HH2 1660   2.911   3.172   4.678
+  111TRP      C 1661   2.832   3.070   4.072
+  111TRP      O 1662   2.826   2.961   4.131
+  112ARG      N 1663   2.742   3.166   4.090
+  112ARG      H 1664   2.760   3.256   4.052
+  112ARG     CA 1665   2.617   3.145   4.162
+  112ARG     HA 1666   2.648   3.135   4.257
+  112ARG     CB 1667   2.519   3.261   4.161
+  112ARG    HB1 1668   2.471   3.255   4.074
+  112ARG    HB2 1669   2.455   3.243   4.236
+  112ARG     CG 1670   2.557   3.406   4.176
+  112ARG    HG1 1671   2.609   3.418   4.261
+  112ARG    HG2 1672   2.614   3.433   4.098
+  112ARG     CD 1673   2.435   3.492   4.180
+  112ARG    HD1 1674   2.366   3.447   4.237
+  112ARG    HD2 1675   2.458   3.580   4.221
+  112ARG     NE 1676   2.376   3.517   4.051
+  112ARG     HE 1677   2.328   3.440   4.008
+  112ARG     CZ 1678   2.377   3.632   3.981
+  112ARG    NH1 1679   2.458   3.734   4.005
+  112ARG   HH11 1680   2.524   3.729   4.080
+  112ARG   HH12 1681   2.452   3.816   3.949
+  112ARG    NH2 1682   2.270   3.663   3.907
+  112ARG   HH21 1683   2.191   3.601   3.904
+  112ARG   HH22 1684   2.269   3.748   3.854
+  112ARG      C 1685   2.545   3.021   4.106
+  112ARG      O 1686   2.498   2.941   4.189
+  113ASN      N 1687   2.529   3.014   3.974
+  113ASN      H 1688   2.574   3.081   3.915
+  113ASN     CA 1689   2.444   2.908   3.916
+  113ASN     HA 1690   2.364   2.909   3.975
+  113ASN     CB 1691   2.395   2.940   3.775
+  113ASN    HB1 1692   2.474   2.961   3.718
+  113ASN    HB2 1693   2.348   2.859   3.740
+  113ASN     CG 1694   2.298   3.058   3.769
+  113ASN    OD1 1695   2.243   3.096   3.873
+  113ASN    ND2 1696   2.282   3.118   3.651
+  113ASN   HD21 1697   2.332   3.084   3.571
+  113ASN   HD22 1698   2.220   3.195   3.643
+  113ASN      C 1699   2.509   2.770   3.926
+  113ASN      O 1700   2.443   2.667   3.948
+  114ARG      N 1701   2.638   2.766   3.902
+  114ARG      H 1702   2.689   2.852   3.907
+  114ARG     CA 1703   2.714   2.646   3.871
+  114ARG     HA 1704   2.647   2.573   3.888
+  114ARG     CB 1705   2.760   2.653   3.725
+  114ARG    HB1 1706   2.796   2.744   3.704
+  114ARG    HB2 1707   2.832   2.585   3.708
+  114ARG     CG 1708   2.638   2.623   3.637
+  114ARG    HG1 1709   2.592   2.541   3.670
+  114ARG    HG2 1710   2.574   2.700   3.642
+  114ARG     CD 1711   2.671   2.602   3.494
+  114ARG    HD1 1712   2.745   2.535   3.486
+  114ARG    HD2 1713   2.591   2.568   3.445
+  114ARG     NE 1714   2.713   2.730   3.437
+  114ARG     HE 1715   2.770   2.790   3.493
+  114ARG     CZ 1716   2.681   2.770   3.313
+  114ARG    NH1 1717   2.636   2.685   3.221
+  114ARG   HH11 1718   2.626   2.588   3.244
+  114ARG   HH12 1719   2.612   2.717   3.130
+  114ARG    NH2 1720   2.671   2.901   3.287
+  114ARG   HH21 1721   2.689   2.968   3.360
+  114ARG   HH22 1722   2.647   2.932   3.196
+  114ARG      C 1723   2.824   2.606   3.966
+  114ARG      O 1724   2.849   2.484   3.977
+  115CYS      N 1725   2.872   2.699   4.044
+  115CYS      H 1726   2.835   2.792   4.041
+  115CYS     CA 1727   2.982   2.666   4.138
+  115CYS     HA 1728   3.010   2.572   4.119
+  115CYS     CB 1729   3.097   2.764   4.110
+  115CYS    HB1 1730   3.061   2.853   4.136
+  115CYS    HB2 1731   3.170   2.737   4.173
+  115CYS     SG 1732   3.154   2.763   3.941
+  115CYS      C 1733   2.943   2.655   4.283
+  115CYS      O 1734   2.995   2.574   4.361
+  116LYS      N 1735   2.869   2.754   4.329
+  116LYS      H 1736   2.837   2.822   4.264
+  116LYS     CA 1737   2.831   2.771   4.470
+  116LYS     HA 1738   2.913   2.781   4.527
+  116LYS     CB 1739   2.747   2.898   4.480
+  116LYS    HB1 1740   2.805   2.977   4.458
+  116LYS    HB2 1741   2.672   2.893   4.414
+  116LYS     CG 1742   2.691   2.913   4.622
+  116LYS    HG1 1743   2.661   2.824   4.655
+  116LYS    HG2 1744   2.763   2.948   4.682
+  116LYS     CD 1745   2.572   3.010   4.622
+  116LYS    HD1 1746   2.586   3.080   4.552
+  116LYS    HD2 1747   2.488   2.960   4.604
+  116LYS     CE 1748   2.564   3.077   4.759
+  116LYS    HE1 1749   2.560   3.006   4.830
+  116LYS    HE2 1750   2.645   3.134   4.773
+  116LYS     NZ 1751   2.443   3.163   4.772
+  116LYS    HZ1 1752   2.442   3.205   4.863
+  116LYS    HZ2 1753   2.446   3.235   4.702
+  116LYS    HZ3 1754   2.361   3.108   4.759
+  116LYS      C 1755   2.761   2.644   4.519
+  116LYS      O 1756   2.680   2.585   4.446
+  117GLY      N 1757   2.813   2.594   4.631
+  117GLY      H 1758   2.893   2.637   4.672
+  117GLY     CA 1759   2.754   2.475   4.694
+  117GLY    HA1 1760   2.776   2.479   4.791
+  117GLY    HA2 1761   2.655   2.481   4.682
+  117GLY      C 1762   2.800   2.340   4.640
+  117GLY      O 1763   2.748   2.235   4.683
+  118THR      N 1764   2.887   2.342   4.541
+  118THR      H 1765   2.915   2.431   4.503
+  118THR     CA 1766   2.945   2.220   4.484
+  118THR     HA 1767   2.887   2.144   4.515
+  118THR     CB 1768   2.942   2.219   4.327
+  118THR     HB 1769   2.955   2.128   4.286
+  118THR    OG1 1770   3.054   2.302   4.283
+  118THR    HG1 1771   3.056   2.305   4.183
+  118THR    CG2 1772   2.808   2.272   4.274
+  118THR   HG21 1773   2.808   2.271   4.174
+  118THR   HG22 1774   2.733   2.215   4.308
+  118THR   HG23 1775   2.794   2.366   4.306
+  118THR      C 1776   3.085   2.200   4.543
+  118THR      O 1777   3.130   2.274   4.632
+  119ASP      N 1778   3.137   2.083   4.510
+  119ASP      H 1779   3.080   2.018   4.460
+  119ASP     CA 1780   3.275   2.045   4.543
+  119ASP     HA 1781   3.294   2.075   4.636
+  119ASP     CB 1782   3.291   1.893   4.541
+  119ASP    HB1 1783   3.227   1.853   4.606
+  119ASP    HB2 1784   3.272   1.859   4.449
+  119ASP     CG 1785   3.433   1.852   4.579
+  119ASP    OD1 1786   3.503   1.925   4.650
+  119ASP    OD2 1787   3.470   1.737   4.547
+  119ASP      C 1788   3.369   2.116   4.445
+  119ASP      O 1789   3.416   2.057   4.345
+  120VAL      N 1790   3.397   2.241   4.476
+  120VAL      H 1791   3.354   2.280   4.558
+  120VAL     CA 1792   3.487   2.326   4.398
+  120VAL     HA 1793   3.454   2.308   4.305
+  120VAL     CB 1794   3.470   2.475   4.430
+  120VAL     HB 1795   3.538   2.527   4.377
+  120VAL    CG1 1796   3.334   2.527   4.385
+  120VAL   HG11 1797   3.326   2.625   4.408
+  120VAL   HG12 1798   3.324   2.515   4.287
+  120VAL   HG13 1799   3.261   2.477   4.432
+  120VAL    CG2 1800   3.507   2.510   4.572
+  120VAL   HG21 1801   3.494   2.608   4.587
+  120VAL   HG22 1802   3.448   2.459   4.635
+  120VAL   HG23 1803   3.602   2.486   4.589
+  120VAL      C 1804   3.632   2.282   4.397
+  120VAL      O 1805   3.708   2.322   4.308
+  121GLN      N 1806   3.668   2.205   4.498
+  121GLN      H 1807   3.603   2.190   4.572
+  121GLN     CA 1808   3.800   2.140   4.506
+  121GLN     HA 1809   3.869   2.213   4.501
+  121GLN     CB 1810   3.807   2.067   4.640
+  121GLN    HB1 1811   3.754   2.117   4.709
+  121GLN    HB2 1812   3.770   1.974   4.630
+  121GLN     CG 1813   3.951   2.058   4.684
+  121GLN    HG1 1814   3.993   1.977   4.643
+  121GLN    HG2 1815   4.000   2.140   4.653
+  121GLN     CD 1816   3.960   2.050   4.834
+  121GLN    OE1 1817   4.035   2.125   4.895
+  121GLN    NE2 1818   3.886   1.949   4.882
+  121GLN   HE21 1819   3.835   1.891   4.819
+  121GLN   HE22 1820   3.883   1.932   4.981
+  121GLN      C 1821   3.830   2.048   4.388
+  121GLN      O 1822   3.946   2.029   4.349
+  122ALA      N 1823   3.728   1.989   4.325
+  122ALA      H 1824   3.638   1.995   4.368
+  122ALA     CA 1825   3.737   1.917   4.198
+  122ALA     HA 1826   3.786   1.833   4.223
+  122ALA     CB 1827   3.598   1.886   4.145
+  122ALA    HB1 1828   3.605   1.837   4.059
+  122ALA    HB2 1829   3.549   1.830   4.212
+  122ALA    HB3 1830   3.548   1.972   4.131
+  122ALA      C 1831   3.817   1.991   4.090
+  122ALA      O 1832   3.901   1.933   4.019
+  123TRP      N 1833   3.800   2.124   4.091
+  123TRP      H 1834   3.739   2.164   4.159
+  123TRP     CA 1835   3.868   2.212   3.995
+  123TRP     HA 1836   3.856   2.168   3.906
+  123TRP     CB 1837   3.801   2.349   4.002
+  123TRP    HB1 1838   3.799   2.382   4.096
+  123TRP    HB2 1839   3.850   2.414   3.944
+  123TRP     CG 1840   3.660   2.335   3.952
+  123TRP    CD1 1841   3.546   2.323   4.026
+  123TRP    HD1 1842   3.543   2.324   4.126
+  123TRP    CD2 1843   3.622   2.317   3.815
+  123TRP    NE1 1844   3.438   2.308   3.944
+  123TRP    HE1 1845   3.343   2.303   3.975
+  123TRP    CE2 1846   3.481   2.301   3.815
+  123TRP    CE3 1847   3.693   2.309   3.695
+  123TRP    HE3 1848   3.793   2.313   3.694
+  123TRP    CZ2 1849   3.409   2.280   3.698
+  123TRP    HZ2 1850   3.310   2.270   3.699
+  123TRP    CZ3 1851   3.620   2.295   3.578
+  123TRP    HZ3 1852   3.668   2.299   3.491
+  123TRP    CH2 1853   3.481   2.275   3.580
+  123TRP    HH2 1854   3.434   2.256   3.494
+  123TRP      C 1855   4.020   2.220   4.006
+  123TRP      O 1856   4.089   2.256   3.908
+  124ILE      N 1857   4.072   2.189   4.122
+  124ILE      H 1858   4.011   2.163   4.197
+  124ILE     CA 1859   4.217   2.191   4.147
+  124ILE     HA 1860   4.255   2.213   4.057
+  124ILE     CB 1861   4.248   2.302   4.253
+  124ILE     HB 1862   4.347   2.312   4.266
+  124ILE    CG1 1863   4.194   2.260   4.390
+  124ILE   HG11 1864   4.101   2.297   4.398
+  124ILE   HG12 1865   4.190   2.160   4.392
+  124ILE    CG2 1866   4.200   2.442   4.206
+  124ILE   HG21 1867   4.222   2.511   4.276
+  124ILE   HG22 1868   4.247   2.466   4.120
+  124ILE   HG23 1869   4.102   2.440   4.191
+  124ILE     CD 1870   4.271   2.306   4.516
+  124ILE    HD1 1871   4.225   2.272   4.598
+  124ILE    HD2 1872   4.364   2.269   4.513
+  124ILE    HD3 1873   4.274   2.406   4.519
+  124ILE      C 1874   4.284   2.058   4.169
+  124ILE      O 1875   4.408   2.051   4.180
+  125ARG      N 1876   4.206   1.952   4.180
+  125ARG      H 1877   4.107   1.965   4.175
+  125ARG     CA 1878   4.257   1.815   4.199
+  125ARG     HA 1879   4.320   1.818   4.277
+  125ARG     CB 1880   4.146   1.717   4.232
+  125ARG    HB1 1881   4.065   1.741   4.178
+  125ARG    HB2 1882   4.176   1.625   4.208
+  125ARG     CG 1883   4.110   1.722   4.382
+  125ARG    HG1 1884   4.193   1.720   4.437
+  125ARG    HG2 1885   4.058   1.805   4.402
+  125ARG     CD 1886   4.026   1.601   4.415
+  125ARG    HD1 1887   3.979   1.568   4.333
+  125ARG    HD2 1888   4.083   1.529   4.453
+  125ARG     NE 1889   3.926   1.637   4.514
+  125ARG     HE 1890   3.961   1.646   4.607
+  125ARG     CZ 1891   3.796   1.661   4.500
+  125ARG    NH1 1892   3.731   1.631   4.388
+  125ARG   HH11 1893   3.781   1.589   4.311
+  125ARG   HH12 1894   3.634   1.650   4.380
+  125ARG    NH2 1895   3.737   1.717   4.606
+  125ARG   HH21 1896   3.791   1.737   4.688
+  125ARG   HH22 1897   3.639   1.738   4.604
+  125ARG      C 1898   4.329   1.773   4.071
+  125ARG      O 1899   4.282   1.796   3.958
+  126GLY      N 1900   4.448   1.719   4.091
+  126GLY      H 1901   4.484   1.712   4.184
+  126GLY     CA 1902   4.527   1.668   3.977
+  126GLY    HA1 1903   4.572   1.583   4.005
+  126GLY    HA2 1904   4.465   1.649   3.901
+  126GLY      C 1905   4.631   1.769   3.933
+  126GLY      O 1906   4.720   1.735   3.852
+  127CYS      N 1907   4.632   1.884   3.997
+  127CYS      H 1908   4.567   1.897   4.072
+  127CYS     CA 1909   4.721   1.995   3.963
+  127CYS     HA 1910   4.756   1.979   3.871
+  127CYS     CB 1911   4.643   2.125   3.966
+  127CYS    HB1 1912   4.619   2.133   4.063
+  127CYS    HB2 1913   4.713   2.193   3.944
+  127CYS     SG 1914   4.499   2.144   3.861
+  127CYS      C 1915   4.840   2.000   4.060
+  127CYS      O 1916   4.819   1.989   4.181
+  128ARG      N 1917   4.957   2.031   4.006
+  128ARG      H 1918   4.964   2.037   3.907
+  128ARG     CA 1919   5.075   2.058   4.089
+  128ARG     HA 1920   5.064   2.009   4.175
+  128ARG     CB 1921   5.203   1.992   4.038
+  128ARG    HB1 1922   5.198   1.987   3.938
+  128ARG    HB2 1923   5.281   2.049   4.065
+  128ARG     CG 1924   5.221   1.851   4.095
+  128ARG    HG1 1925   5.132   1.805   4.101
+  128ARG    HG2 1926   5.282   1.798   4.035
+  128ARG     CD 1927   5.281   1.853   4.232
+  128ARG    HD1 1928   5.233   1.921   4.288
+  128ARG    HD2 1929   5.272   1.763   4.274
+  128ARG     NE 1930   5.423   1.888   4.231
+  128ARG     HE 1931   5.481   1.830   4.174
+  128ARG     CZ 1932   5.484   1.988   4.295
+  128ARG    NH1 1933   5.422   2.069   4.382
+  128ARG   HH11 1934   5.325   2.056   4.401
+  128ARG   HH12 1935   5.473   2.142   4.428
+  128ARG    NH2 1936   5.611   2.017   4.264
+  128ARG   HH21 1937   5.659   1.965   4.194
+  128ARG   HH22 1938   5.658   2.092   4.312
+  128ARG      C 1939   5.080   2.206   4.125
+  128ARG      O 1940   5.096   2.291   4.036
+  129LEU      N 1941   5.027   2.233   4.244
+  129LEU      H 1942   4.999   2.157   4.302
+  129LEU     CA 1943   5.007   2.370   4.294
+  129LEU     HA 1944   5.026   2.434   4.219
+  129LEU     CB 1945   4.862   2.396   4.332
+  129LEU    HB1 1946   4.823   2.308   4.360
+  129LEU    HB2 1947   4.861   2.458   4.409
+  129LEU     CG 1948   4.767   2.454   4.229
+  129LEU     HG 1949   4.768   2.553   4.239
+  129LEU    CD1 1950   4.809   2.428   4.086
+  129LEU   HD11 1951   4.743   2.469   4.024
+  129LEU   HD12 1952   4.899   2.468   4.070
+  129LEU   HD13 1953   4.814   2.329   4.070
+  129LEU    CD2 1954   4.629   2.394   4.256
+  129LEU   HD21 1955   4.564   2.431   4.189
+  129LEU   HD22 1956   4.633   2.295   4.247
+  129LEU   HD23 1957   4.600   2.419   4.348
+  129LEU      C 1958   5.110   2.400   4.404
+  129LEU     O1 1959   5.071   2.390   4.523
+  129LEU     O2 1960   5.221   2.430   4.358
+  130SOL     OW 1961   3.241   5.168   3.001
+  130SOL    HW1 1962   3.323   5.168   3.059
+  130SOL    HW2 1963   3.160   5.168   3.059
+  131SOL     OW 1964   4.097   3.804   3.062
+  131SOL    HW1 1965   4.179   3.804   3.120
+  131SOL    HW2 1966   4.097   3.885   3.005
+  132SOL     OW 1967   3.923   2.496   4.646
+  132SOL    HW1 1968   4.005   2.496   4.703
+  132SOL    HW2 1969   3.923   2.414   4.588
+  133SOL     OW 1970   3.136   5.395   2.850
+  133SOL    HW1 1971   3.055   5.395   2.908
+  133SOL    HW2 1972   3.136   5.477   2.793
+  134SOL     OW 1973   3.822   3.924   3.300
+  134SOL    HW1 1974   3.740   3.924   3.358
+  134SOL    HW2 1975   3.822   3.842   3.242
+  135SOL     OW 1976   3.844   4.938   2.618
+  135SOL    HW1 1977   3.844   5.020   2.560
+  135SOL    HW2 1978   3.844   4.856   2.560
+  136SOL     OW 1979   2.979   4.793   2.559
+  136SOL    HW1 1980   3.060   4.793   2.617
+  136SOL    HW2 1981   2.897   4.793   2.617
+  137SOL     OW 1982   5.030   2.947   3.529
+  137SOL    HW1 1983   5.111   2.947   3.587
+  137SOL    HW2 1984   5.030   3.029   3.471
+  138SOL     OW 1985   4.368   4.068   3.263
+  138SOL    HW1 1986   4.449   4.068   3.321
+  138SOL    HW2 1987   4.368   3.986   3.205
+  139SOL     OW 1988   3.585   2.892   5.017
+  139SOL    HW1 1989   3.503   2.892   5.074
+  139SOL    HW2 1990   3.585   2.973   4.959
+  140SOL     OW 1991   4.111   2.267   3.085
+  140SOL    HW1 1992   4.029   2.267   3.143
+  140SOL    HW2 1993   4.111   2.185   3.028
+  141SOL     OW 1994   3.245   5.166   3.430
+  141SOL    HW1 1995   3.245   5.248   3.372
+  141SOL    HW2 1996   3.245   5.084   3.372
+  142SOL     OW 1997   3.037   5.714   2.563
+  142SOL    HW1 1998   3.119   5.714   2.621
+  142SOL    HW2 1999   2.955   5.714   2.621
+  143SOL     OW 2000   4.347   3.820   3.093
+  143SOL    HW1 2001   4.429   3.820   3.151
+  143SOL    HW2 2002   4.347   3.901   3.035
+  144SOL     OW 2003   2.540   4.576   3.314
+  144SOL    HW1 2004   2.622   4.576   3.372
+  144SOL    HW2 2005   2.540   4.494   3.257
+  145SOL     OW 2006   3.035   4.155   4.562
+  145SOL    HW1 2007   2.954   4.155   4.619
+  145SOL    HW2 2008   3.035   4.236   4.504
+  146SOL     OW 2009   5.003   2.416   3.666
+  146SOL    HW1 2010   4.921   2.416   3.724
+  146SOL    HW2 2011   5.003   2.334   3.608
+  147SOL     OW 2012   4.177   4.731   3.923
+  147SOL    HW1 2013   4.177   4.812   3.865
+  147SOL    HW2 2014   4.177   4.649   3.865
+  148SOL     OW 2015   5.863   2.058   4.301
+  148SOL    HW1 2016   5.944   2.058   4.359
+  148SOL    HW2 2017   5.781   2.058   4.359
+  149SOL     OW 2018   2.343   4.652   2.333
+  149SOL    HW1 2019   2.425   4.652   2.391
+  149SOL    HW2 2020   2.343   4.734   2.275
+  150SOL     OW 2021   3.191   2.246   4.071
+  150SOL    HW1 2022   3.273   2.246   4.129
+  150SOL    HW2 2023   3.191   2.164   4.014
+  151SOL     OW 2024   2.499   3.011   3.447
+  151SOL    HW1 2025   2.418   3.011   3.505
+  151SOL    HW2 2026   2.499   3.093   3.389
+  152SOL     OW 2027   2.111   3.321   3.971
+  152SOL    HW1 2028   2.029   3.321   4.029
+  152SOL    HW2 2029   2.111   3.239   3.914
+  153SOL     OW 2030   2.466   5.054   3.086
+  153SOL    HW1 2031   2.466   5.136   3.028
+  153SOL    HW2 2032   2.466   4.973   3.028
+  154SOL     OW 2033   1.963   3.585   4.010
+  154SOL    HW1 2034   2.045   3.585   4.068
+  154SOL    HW2 2035   1.882   3.585   4.068
+  155SOL     OW 2036   5.305   2.960   3.952
+  155SOL    HW1 2037   5.387   2.960   4.010
+  155SOL    HW2 2038   5.305   3.041   3.894
+  156SOL     OW 2039   4.101   2.470   2.856
+  156SOL    HW1 2040   4.183   2.470   2.914
+  156SOL    HW2 2041   4.101   2.388   2.798
+  157SOL     OW 2042   4.540   3.123   5.184
+  157SOL    HW1 2043   4.459   3.123   5.242
+  157SOL    HW2 2044   4.540   3.205   5.127
+  158SOL     OW 2045   4.692   4.212   3.298
+  158SOL    HW1 2046   4.610   4.212   3.356
+  158SOL    HW2 2047   4.692   4.131   3.241
+  159SOL     OW 2048   3.969   5.436   3.038
+  159SOL    HW1 2049   3.969   5.518   2.980
+  159SOL    HW2 2050   3.969   5.354   2.980
+  160SOL     OW 2051   3.290   5.599   2.902
+  160SOL    HW1 2052   3.372   5.599   2.959
+  160SOL    HW2 2053   3.209   5.599   2.959
+  161SOL     OW 2054   4.281   4.587   3.730
+  161SOL    HW1 2055   4.363   4.587   3.787
+  161SOL    HW2 2056   4.281   4.669   3.672
+  162SOL     OW 2057   3.859   5.235   2.707
+  162SOL    HW1 2058   3.941   5.235   2.765
+  162SOL    HW2 2059   3.859   5.153   2.649
+  163SOL     OW 2060   3.254   1.961   4.108
+  163SOL    HW1 2061   3.173   1.961   4.165
+  163SOL    HW2 2062   3.254   2.043   4.050
+  164SOL     OW 2063   4.049   5.398   3.249
+  164SOL    HW1 2064   3.967   5.398   3.306
+  164SOL    HW2 2065   4.049   5.317   3.191
+  165SOL     OW 2066   3.086   4.116   2.166
+  165SOL    HW1 2067   3.086   4.197   2.108
+  165SOL    HW2 2068   3.086   4.034   2.108
+  166SOL     OW 2069   4.674   3.253   4.645
+  166SOL    HW1 2070   4.756   3.253   4.703
+  166SOL    HW2 2071   4.593   3.253   4.703
+  167SOL     OW 2072   5.132   2.910   4.183
+  167SOL    HW1 2073   5.213   2.910   4.241
+  167SOL    HW2 2074   5.132   2.992   4.126
+  168SOL     OW 2075   3.232   5.136   3.231
+  168SOL    HW1 2076   3.314   5.136   3.289
+  168SOL    HW2 2077   3.232   5.054   3.173
+  169SOL     OW 2078   3.196   4.084   4.979
+  169SOL    HW1 2079   3.115   4.084   5.037
+  169SOL    HW2 2080   3.196   4.166   4.922
+  170SOL     OW 2081   3.976   1.941   3.316
+  170SOL    HW1 2082   3.894   1.941   3.373
+  170SOL    HW2 2083   3.976   1.860   3.258
+  171SOL     OW 2084   5.195   2.628   4.166
+  171SOL    HW1 2085   5.195   2.709   4.108
+  171SOL    HW2 2086   5.195   2.546   4.108
+  172SOL     OW 2087   4.591   2.957   2.358
+  172SOL    HW1 2088   4.672   2.957   2.415
+  172SOL    HW2 2089   4.509   2.957   2.415
+  173SOL     OW 2090   4.439   3.747   2.509
+  173SOL    HW1 2091   4.521   3.747   2.567
+  173SOL    HW2 2092   4.439   3.829   2.452
+  174SOL     OW 2093   4.641   4.416   3.088
+  174SOL    HW1 2094   4.722   4.416   3.146
+  174SOL    HW2 2095   4.641   4.334   3.031
+  175SOL     OW 2096   4.630   2.021   4.413
+  175SOL    HW1 2097   4.548   2.021   4.470
+  175SOL    HW2 2098   4.630   2.103   4.355
+  176SOL     OW 2099   1.829   4.833   2.512
+  176SOL    HW1 2100   1.748   4.833   2.570
+  176SOL    HW2 2101   1.829   4.751   2.455
+  177SOL     OW 2102   4.895   3.538   3.401
+  177SOL    HW1 2103   4.895   3.620   3.344
+  177SOL    HW2 2104   4.895   3.456   3.344
+  178SOL     OW 2105   3.111   4.189   3.613
+  178SOL    HW1 2106   3.192   4.189   3.670
+  178SOL    HW2 2107   3.029   4.189   3.670
+  179SOL     OW 2108   3.122   2.743   4.667
+  179SOL    HW1 2109   3.204   2.743   4.725
+  179SOL    HW2 2110   3.122   2.825   4.609
+  180SOL     OW 2111   4.971   2.084   3.696
+  180SOL    HW1 2112   5.053   2.084   3.754
+  180SOL    HW2 2113   4.971   2.003   3.638
+  181SOL     OW 2114   2.148   2.689   4.077
+  181SOL    HW1 2115   2.066   2.689   4.134
+  181SOL    HW2 2116   2.148   2.770   4.019
+  182SOL     OW 2117   2.935   4.024   3.432
+  182SOL    HW1 2118   2.854   4.024   3.489
+  182SOL    HW2 2119   2.935   3.942   3.374
+  183SOL     OW 2120   3.177   2.708   3.000
+  183SOL    HW1 2121   3.177   2.790   2.942
+  183SOL    HW2 2122   3.177   2.627   2.942
+  184SOL     OW 2123   3.212   4.343   5.179
+  184SOL    HW1 2124   3.293   4.343   5.237
+  184SOL    HW2 2125   3.130   4.343   5.237
+  185SOL     OW 2126   3.165   5.031   4.492
+  185SOL    HW1 2127   3.247   5.031   4.549
+  185SOL    HW2 2128   3.165   5.113   4.434
+  186SOL     OW 2129   4.295   4.473   4.351
+  186SOL    HW1 2130   4.376   4.473   4.408
+  186SOL    HW2 2131   4.295   4.392   4.293
+  187SOL     OW 2132   2.855   3.704   3.525
+  187SOL    HW1 2133   2.774   3.704   3.583
+  187SOL    HW2 2134   2.855   3.786   3.467
+  188SOL     OW 2135   2.377   2.729   4.393
+  188SOL    HW1 2136   2.295   2.729   4.451
+  188SOL    HW2 2137   2.377   2.648   4.335
+  189SOL     OW 2138   2.809   3.964   2.202
+  189SOL    HW1 2139   2.809   4.046   2.145
+  189SOL    HW2 2140   2.809   3.883   2.145
+  190SOL     OW 2141   2.628   5.068   2.422
+  190SOL    HW1 2142   2.710   5.068   2.479
+  190SOL    HW2 2143   2.547   5.068   2.479
+  191SOL     OW 2144   2.518   2.612   4.225
+  191SOL    HW1 2145   2.599   2.612   4.282
+  191SOL    HW2 2146   2.518   2.694   4.167
+  192SOL     OW 2147   2.633   5.797   2.959
+  192SOL    HW1 2148   2.714   5.797   3.017
+  192SOL    HW2 2149   2.633   5.715   2.901
+  193SOL     OW 2150   2.397   4.292   3.243
+  193SOL    HW1 2151   2.316   4.292   3.301
+  193SOL    HW2 2152   2.397   4.374   3.185
+  194SOL     OW 2153   3.718   5.639   3.352
+  194SOL    HW1 2154   3.636   5.639   3.410
+  194SOL    HW2 2155   3.718   5.558   3.294
+  195SOL     OW 2156   3.846   2.548   2.756
+  195SOL    HW1 2157   3.846   2.630   2.699
+  195SOL    HW2 2158   3.846   2.467   2.699
+  196SOL     OW 2159   3.259   5.643   3.928
+  196SOL    HW1 2160   3.341   5.643   3.986
+  196SOL    HW2 2161   3.178   5.643   3.986
+  197SOL     OW 2162   4.955   3.380   3.031
+  197SOL    HW1 2163   5.037   3.380   3.089
+  197SOL    HW2 2164   4.955   3.462   2.973
+  198SOL     OW 2165   2.145   4.348   3.044
+  198SOL    HW1 2166   2.227   4.348   3.102
+  198SOL    HW2 2167   2.145   4.266   2.987
+  199SOL     OW 2168   2.566   2.521   3.084
+  199SOL    HW1 2169   2.485   2.521   3.142
+  199SOL    HW2 2170   2.566   2.603   3.026
+  200SOL     OW 2171   3.651   4.968   2.381
+  200SOL    HW1 2172   3.570   4.968   2.439
+  200SOL    HW2 2173   3.651   4.886   2.323
+  201SOL     OW 2174   3.487   4.759   4.823
+  201SOL    HW1 2175   3.487   4.841   4.766
+  201SOL    HW2 2176   3.487   4.678   4.766
+  202SOL     OW 2177   3.377   3.680   5.273
+  202SOL    HW1 2178   3.459   3.680   5.331
+  202SOL    HW2 2179   3.295   3.680   5.331
+  203SOL     OW 2180   2.156   3.283   4.168
+  203SOL    HW1 2181   2.238   3.283   4.225
+  203SOL    HW2 2182   2.156   3.365   4.110
+  204SOL     OW 2183   2.867   3.537   3.182
+  204SOL    HW1 2184   2.948   3.537   3.240
+  204SOL    HW2 2185   2.867   3.455   3.124
+  205SOL     OW 2186   3.608   4.758   2.431
+  205SOL    HW1 2187   3.526   4.758   2.489
+  205SOL    HW2 2188   3.608   4.839   2.373
+  206SOL     OW 2189   4.624   2.125   4.667
+  206SOL    HW1 2190   4.542   2.125   4.725
+  206SOL    HW2 2191   4.624   2.044   4.609
+  207SOL     OW 2192   5.274   3.546   4.471
+  207SOL    HW1 2193   5.274   3.628   4.413
+  207SOL    HW2 2194   5.274   3.465   4.413
+  208SOL     OW 2195   0.230   0.628   0.113
+  208SOL    HW1 2196   0.137   0.626   0.150
+  208SOL    HW2 2197   0.231   0.589   0.021
+  209SOL     OW 2198   0.225   0.275   0.996
+  209SOL    HW1 2199   0.260   0.258   1.088
+  209SOL    HW2 2200   0.137   0.230   0.984
+  210SOL     OW 2201   0.019   0.368   0.647
+  210SOL    HW1 2202  -0.063   0.411   0.686
+  210SOL    HW2 2203  -0.009   0.295   0.584
+  211SOL     OW 2204   0.569   1.275   1.165
+  211SOL    HW1 2205   0.476   1.268   1.128
+  211SOL    HW2 2206   0.580   1.364   1.209
+  212SOL     OW 2207   1.555   1.511   0.703
+  212SOL    HW1 2208   1.498   1.495   0.784
+  212SOL    HW2 2209   1.496   1.521   0.623
+  213SOL     OW 2210   1.135   0.703   0.717
+  213SOL    HW1 2211   1.192   0.781   0.692
+  213SOL    HW2 2212   1.075   0.729   0.793
+  214SOL     OW 2213   1.755   0.607   0.231
+  214SOL    HW1 2214   1.743   0.594   0.132
+  214SOL    HW2 2215   1.725   0.526   0.280
+  215SOL     OW 2216   0.768   1.144   1.023
+  215SOL    HW1 2217   0.690   1.161   1.083
+  215SOL    HW2 2218   0.802   1.231   0.987
+  216SOL     OW 2219   0.850   0.798   1.823
+  216SOL    HW1 2220   0.846   0.874   1.888
+  216SOL    HW2 2221   0.872   0.834   1.732
+  217SOL     OW 2222   0.685   1.012   0.665
+  217SOL    HW1 2223   0.754   0.996   0.735
+  217SOL    HW2 2224   0.612   1.069   0.703
+  218SOL     OW 2225   0.686   1.161   1.803
+  218SOL    HW1 2226   0.746   1.240   1.817
+  218SOL    HW2 2227   0.600   1.192   1.762
+  219SOL     OW 2228   0.335   1.435   1.061
+  219SOL    HW1 2229   0.257   1.404   1.008
+  219SOL    HW2 2230   0.393   1.493   1.004
+  220SOL     OW 2231   1.460   1.505   1.339
+  220SOL    HW1 2232   1.484   1.599   1.365
+  220SOL    HW2 2233   1.444   1.451   1.421
+  221SOL     OW 2234   0.438   0.392   1.499
+  221SOL    HW1 2235   0.520   0.336   1.508
+  221SOL    HW2 2236   0.357   0.334   1.503
+  222SOL     OW 2237   1.603   0.447   0.737
+  222SOL    HW1 2238   1.529   0.493   0.687
+  222SOL    HW2 2239   1.654   0.515   0.790
+  223SOL     OW 2240   0.231   1.713   0.483
+  223SOL    HW1 2241   0.265   1.790   0.537
+  223SOL    HW2 2242   0.275   1.713   0.393
+  224SOL     OW 2243   1.127   1.341   1.690
+  224SOL    HW1 2244   1.174   1.341   1.778
+  224SOL    HW2 2245   1.079   1.254   1.679
+  225SOL     OW 2246   0.230   1.434   0.538
+  225SOL    HW1 2247   0.204   1.530   0.538
+  225SOL    HW2 2248   0.159   1.380   0.583
+  226SOL     OW 2249   0.240   1.091   0.886
+  226SOL    HW1 2250   0.254   1.007   0.938
+  226SOL    HW2 2251   0.185   1.155   0.941
+  227SOL     OW 2252   0.620   1.786   1.439
+  227SOL    HW1 2253   0.528   1.769   1.474
+  227SOL    HW2 2254   0.648   1.878   1.465
+  228SOL     OW 2255   0.606   0.964   0.123
+  228SOL    HW1 2256   0.613   1.048   0.069
+  228SOL    HW2 2257   0.652   0.977   0.211
+  229SOL     OW 2258   1.594   0.114   1.480
+  229SOL    HW1 2259   1.576   0.181   1.408
+  229SOL    HW2 2260   1.591   0.160   1.569
+  230SOL     OW 2261   0.122   0.643   0.563
+  230SOL    HW1 2262   0.077   0.555   0.580
+  230SOL    HW2 2263   0.121   0.697   0.647
+  231SOL     OW 2264   1.842   1.767   0.359
+  231SOL    HW1 2265   1.896   1.738   0.439
+  231SOL    HW2 2266   1.872   1.857   0.330
+  232SOL     OW 2267   0.027   1.596   0.117
+  232SOL    HW1 2268   0.008   1.500   0.138
+  232SOL    HW2 2269  -0.006   1.654   0.192
+  233SOL     OW 2270   1.689   0.922   0.612
+  233SOL    HW1 2271   1.784   0.893   0.620
+  233SOL    HW2 2272   1.681   0.987   0.537
+  234SOL     OW 2273   1.641   1.108   0.432
+  234SOL    HW1 2274   1.727   1.110   0.380
+  234SOL    HW2 2275   1.655   1.155   0.520
+  235SOL     OW 2276   0.113   0.737   1.597
+  235SOL    HW1 2277   0.201   0.724   1.642
+  235SOL    HW2 2278   0.100   0.834   1.575
+  236SOL     OW 2279   0.613   1.365   0.726
+  236SOL    HW1 2280   0.564   1.278   0.735
+  236SOL    HW2 2281   0.590   1.408   0.639
+  237SOL     OW 2282   1.293   1.228   1.423
+  237SOL    HW1 2283   1.330   1.155   1.365
+  237SOL    HW2 2284   1.345   1.233   1.508
+  238SOL     OW 2285   0.809   0.004   0.502
+  238SOL    HW1 2286   0.849   0.095   0.493
+  238SOL    HW2 2287   0.709   0.012   0.508
+  239SOL     OW 2288   0.197   0.976   1.264
+  239SOL    HW1 2289   0.286   0.931   1.250
+  239SOL    HW2 2290   0.124   0.911   1.245
+  240SOL     OW 2291   1.525   0.999   0.190
+  240SOL    HW1 2292   1.462   0.923   0.203
+  240SOL    HW2 2293   1.573   1.017   0.276
+  241SOL     OW 2294   1.187   1.792   1.616
+  241SOL    HW1 2295   1.211   1.852   1.540
+  241SOL    HW2 2296   1.194   1.697   1.586
+  242SOL     OW 2297   0.317   0.251   1.801
+  242SOL    HW1 2298   0.388   0.322   1.807
+  242SOL    HW2 2299   0.229   0.290   1.829
+  243SOL     OW 2300   1.466   1.417   0.953
+  243SOL    HW1 2301   1.407   1.423   1.033
+  243SOL    HW2 2302   1.451   1.329   0.907
+  244SOL     OW 2303   1.667   1.714   0.572
+  244SOL    HW1 2304   1.626   1.691   0.484
+  244SOL    HW2 2305   1.649   1.640   0.637
+  245SOL     OW 2306   0.598   0.729   0.270
+  245SOL    HW1 2307   0.622   0.798   0.202
+  245SOL    HW2 2308   0.520   0.762   0.324
+  246SOL     OW 2309   1.281   0.345   0.944
+  246SOL    HW1 2310   1.195   0.295   0.931
+  246SOL    HW2 2311   1.343   0.291   1.000
+  247SOL     OW 2312   1.576   1.662   0.307
+  247SOL    HW1 2313   1.665   1.708   0.310
+  247SOL    HW2 2314   1.555   1.638   0.212
+  248SOL     OW 2315   0.807   0.605   1.465
+  248SOL    HW1 2316   0.760   0.602   1.554
+  248SOL    HW2 2317   0.756   0.550   1.399
+  249SOL     OW 2318   1.394   0.469   1.674
+  249SOL    HW1 2319   1.374   0.512   1.762
+  249SOL    HW2 2320   1.472   0.407   1.683
+  250SOL     OW 2321   0.973   0.890   1.572
+  250SOL    HW1 2322   1.019   0.806   1.543
+  250SOL    HW2 2323   0.917   0.924   1.497
+  251SOL     OW 2324   0.991   0.410   1.242
+  251SOL    HW1 2325   0.914   0.444   1.296
+  251SOL    HW2 2326   0.957   0.359   1.163
+  252SOL     OW 2327   1.041   0.701   0.429
+  252SOL    HW1 2328   1.067   0.697   0.525
+  252SOL    HW2 2329   0.956   0.650   0.415
+  253SOL     OW 2330   0.076   0.811   0.789
+  253SOL    HW1 2331   0.175   0.799   0.798
+  253SOL    HW2 2332   0.052   0.906   0.810
+  254SOL     OW 2333   0.130   1.821   1.571
+  254SOL    HW1 2334   0.120   1.806   1.670
+  254SOL    HW2 2335   0.044   1.857   1.535
+  255SOL     OW 2336   0.865   0.348   0.195
+  255SOL    HW1 2337   0.924   0.411   0.146
+  255SOL    HW2 2338   0.884   0.254   0.166
+  256SOL     OW 2339   1.719   0.585   1.831
+  256SOL    HW1 2340   1.693   0.674   1.795
+  256SOL    HW2 2341   1.717   0.517   1.758
+  257SOL     OW 2342   1.362   1.144   0.545
+  257SOL    HW1 2343   1.445   1.115   0.497
+  257SOL    HW2 2344   1.313   1.211   0.489
+  258SOL     OW 2345   0.550   0.196   0.885
+  258SOL    HW1 2346   0.545   0.191   0.985
+  258SOL    HW2 2347   0.552   0.292   0.856
+  259SOL     OW 2348   1.008   1.456   0.477
+  259SOL    HW1 2349   0.962   1.528   0.425
+  259SOL    HW2 2350   1.004   1.476   0.575
+  260SOL     OW 2351   0.351   1.801   0.853
+  260SOL    HW1 2352   0.401   1.715   0.859
+  260SOL    HW2 2353   0.416   1.878   0.850
+  261SOL     OW 2354   1.795   1.066   0.873
+  261SOL    HW1 2355   1.733   1.051   0.797
+  261SOL    HW2 2356   1.743   1.077   0.958
+  262SOL     OW 2357   1.227   1.550   1.506
+  262SOL    HW1 2358   1.233   1.473   1.570
+  262SOL    HW2 2359   1.175   1.524   1.426
+  263SOL     OW 2360   0.321   0.943   0.242
+  263SOL    HW1 2361   0.403   0.982   0.200
+  263SOL    HW2 2362   0.294   0.861   0.193
+  264SOL     OW 2363   1.458   0.735   0.728
+  264SOL    HW1 2364   1.453   0.670   0.803
+  264SOL    HW2 2365   1.538   0.794   0.741
+  265SOL     OW 2366   0.461   1.266   1.727
+  265SOL    HW1 2367   0.411   1.267   1.641
+  265SOL    HW2 2368   0.398   1.248   1.803
+  266SOL     OW 2369   1.111   1.776   0.237
+  266SOL    HW1 2370   1.051   1.714   0.287
+  266SOL    HW2 2371   1.142   1.732   0.152
+  267SOL     OW 2372   0.202   0.285   1.498
+  267SOL    HW1 2373   0.122   0.345   1.485
+  267SOL    HW2 2374   0.192   0.236   1.584
+  268SOL     OW 2375   1.632   1.377   0.081
+  268SOL    HW1 2376   1.600   1.471   0.071
+  268SOL    HW2 2377   1.556   1.314   0.069
+  269SOL     OW 2378   0.464   1.743   0.323
+  269SOL    HW1 2379   0.497   1.782   0.409
+  269SOL    HW2 2380   0.540   1.736   0.258
+  270SOL     OW 2381   1.400   0.107   0.426
+  270SOL    HW1 2382   1.376   0.070   0.336
+  270SOL    HW2 2383   1.499   0.123   0.430
+  271SOL     OW 2384   0.249   1.785   1.241
+  271SOL    HW1 2385   0.306   1.720   1.291
+  271SOL    HW2 2386   0.233   1.752   1.148
+  272SOL     OW 2387   0.940   1.698   0.904
+  272SOL    HW1 2388   1.020   1.641   0.925
+  272SOL    HW2 2389   0.891   1.658   0.827
+  273SOL     OW 2390   0.382   0.700   0.480
+  273SOL    HW1 2391   0.427   0.610   0.477
+  273SOL    HW2 2392   0.288   0.689   0.513
+  274SOL     OW 2393   1.547   0.222   1.729
+  274SOL    HW1 2394   1.542   0.259   1.821
+  274SOL    HW2 2395   1.475   0.153   1.717
+  275SOL     OW 2396   0.614   0.122   0.117
+  275SOL    HW1 2397   0.712   0.100   0.124
+  275SOL    HW2 2398   0.583   0.105   0.024
+  276SOL     OW 2399   0.781   0.264   1.749
+  276SOL    HW1 2400   0.848   0.203   1.792
+  276SOL    HW2 2401   0.708   0.283   1.814
+  277SOL     OW 2402   0.888   1.514   1.195
+  277SOL    HW1 2403   0.865   1.489   1.101
+  277SOL    HW2 2404   0.949   1.445   1.234
+  278SOL     OW 2405   1.351   0.590   1.433
+  278SOL    HW1 2406   1.379   0.547   1.518
+  278SOL    HW2 2407   1.376   0.686   1.434
+  279SOL     OW 2408   0.803   1.402   0.924
+  279SOL    HW1 2409   0.893   1.416   0.882
+  279SOL    HW2 2410   0.732   1.404   0.853
+  280SOL     OW 2411   0.922   0.503   0.899
+  280SOL    HW1 2412   0.897   0.494   0.803
+  280SOL    HW2 2413   0.970   0.421   0.930
+  281SOL     OW 2414   0.539   0.064   0.512
+  281SOL    HW1 2415   0.458   0.065   0.570
+  281SOL    HW2 2416   0.542   0.147   0.457
+  282SOL     OW 2417   1.434   1.188   0.041
+  282SOL    HW1 2418   1.466   1.112   0.098
+  282SOL    HW2 2419   1.342   1.215   0.071
+  283SOL     OW 2420   0.297   0.035   0.171
+  283SOL    HW1 2421   0.346   0.119   0.150
+  283SOL    HW2 2422   0.359  -0.030   0.216
+  284SOL     OW 2423   0.935   0.236   0.480
+  284SOL    HW1 2424   0.887   0.277   0.402
+  284SOL    HW2 2425   1.034   0.234   0.461
+  285SOL     OW 2426   1.076   0.683   1.464
+  285SOL    HW1 2427   0.996   0.622   1.467
+  285SOL    HW2 2428   1.157   0.630   1.440
+  286SOL     OW 2429   1.227   1.570   0.793
+  286SOL    HW1 2430   1.248   1.644   0.728
+  286SOL    HW2 2431   1.295   1.570   0.866
+  287SOL     OW 2432   0.459   1.152   0.741
+  287SOL    HW1 2433   0.388   1.125   0.806
+  287SOL    HW2 2434   0.433   1.124   0.648
+  288SOL     OW 2435   1.271   1.797   0.591
+  288SOL    HW1 2436   1.315   1.861   0.527
+  288SOL    HW2 2437   1.221   1.849   0.661
+  289SOL     OW 2438   1.032   0.549   0.016
+  289SOL    HW1 2439   0.991   0.631  -0.023
+  289SOL    HW2 2440   1.096   0.575   0.089
+  290SOL     OW 2441   0.078   0.556   1.386
+  290SOL    HW1 2442   0.170   0.555   1.345
+  290SOL    HW2 2443   0.072   0.630   1.453
+  291SOL     OW 2444   0.561   0.222   1.147
+  291SOL    HW1 2445   0.599   0.138   1.184
+  291SOL    HW2 2446   0.473   0.241   1.191
+  292SOL     OW 2447   0.866   0.454   0.642
+  292SOL    HW1 2448   0.834   0.526   0.580
+  292SOL    HW2 2449   0.890   0.373   0.589
+  293SOL     OW 2450   1.017   0.039   0.753
+  293SOL    HW1 2451   0.945   0.044   0.684
+  293SOL    HW2 2452   0.993  -0.030   0.822
+  294SOL     OW 2453   1.429   1.173   0.867
+  294SOL    HW1 2454   1.374   1.089   0.860
+  294SOL    HW2 2455   1.455   1.202   0.775
+  295SOL     OW 2456   1.466   0.590   0.992
+  295SOL    HW1 2457   1.436   0.495   0.999
+  295SOL    HW2 2458   1.539   0.606   1.058
+  296SOL     OW 2459   1.857   0.833   0.377
+  296SOL    HW1 2460   1.899   0.769   0.441
+  296SOL    HW2 2461   1.819   0.782   0.299
+  297SOL     OW 2462   0.488   1.385   0.174
+  297SOL    HW1 2463   0.401   1.370   0.221
+  297SOL    HW2 2464   0.471   1.411   0.079
+  298SOL     OW 2465   1.664   1.280   0.657
+  298SOL    HW1 2466   1.763   1.288   0.671
+  298SOL    HW2 2467   1.619   1.364   0.688
+  299SOL     OW 2468   1.390   0.575   0.078
+  299SOL    HW1 2469   1.336   0.554   0.159
+  299SOL    HW2 2470   1.481   0.534   0.087
+  300SOL     OW 2471   0.527   0.256   0.328
+  300SOL    HW1 2472   0.554   0.197   0.253
+  300SOL    HW2 2473   0.527   0.351   0.297
+  301SOL     OW 2474   1.754   1.223   1.588
+  301SOL    HW1 2475   1.845   1.184   1.575
+  301SOL    HW2 2476   1.762   1.319   1.612
+  302SOL     OW 2477   1.064   1.347   1.340
+  302SOL    HW1 2478   0.984   1.324   1.395
+  302SOL    HW2 2479   1.147   1.321   1.389
+  303SOL     OW 2480   1.592   1.629   1.625
+  303SOL    HW1 2481   1.619   1.663   1.535
+  303SOL    HW2 2482   1.671   1.591   1.671
+  304SOL     OW 2483   1.111   1.195   1.100
+  304SOL    HW1 2484   1.071   1.239   1.181
+  304SOL    HW2 2485   1.070   1.232   1.017
+  305SOL     OW 2486   1.638   1.099   1.079
+  305SOL    HW1 2487   1.643   1.180   1.138
+  305SOL    HW2 2488   1.552   1.101   1.028
+  306SOL     OW 2489   0.915   0.089   1.402
+  306SOL    HW1 2490   0.940   0.069   1.307
+  306SOL    HW2 2491   0.987   0.145   1.444
+  307SOL     OW 2492   0.980   1.116   1.719
+  307SOL    HW1 2493   0.881   1.122   1.729
+  307SOL    HW2 2494   1.003   1.036   1.663
+  308SOL     OW 2495   0.705   1.050   0.368
+  308SOL    HW1 2496   0.691   1.057   0.467
+  308SOL    HW2 2497   0.789   0.999   0.350
+  309SOL     OW 2498   0.410   0.813   1.251
+  309SOL    HW1 2499   0.496   0.825   1.301
+  309SOL    HW2 2500   0.368   0.726   1.278
+  310SOL     OW 2501   1.274   0.386   1.262
+  310SOL    HW1 2502   1.295   0.460   1.326
+  310SOL    HW2 2503   1.185   0.403   1.219
+  311SOL     OW 2504   0.064   1.564   1.331
+  311SOL    HW1 2505   0.018   1.646   1.297
+  311SOL    HW2 2506   0.162   1.583   1.340
+  312SOL     OW 2507   0.367   1.100   0.501
+  312SOL    HW1 2508   0.360   1.183   0.445
+  312SOL    HW2 2509   0.371   1.020   0.441
+  313SOL     OW 2510   0.566   0.537   0.865
+  313SOL    HW1 2511   0.578   0.603   0.791
+  313SOL    HW2 2512   0.612   0.571   0.948
+  314SOL     OW 2513   1.252   1.348   0.388
+  314SOL    HW1 2514   1.302   1.425   0.428
+  314SOL    HW2 2515   1.157   1.350   0.420
+  315SOL     OW 2516   1.272   1.445   1.142
+  315SOL    HW1 2517   1.319   1.458   1.229
+  315SOL    HW2 2518   1.206   1.371   1.151
+  316SOL     OW 2519   1.582   0.639   0.472
+  316SOL    HW1 2520   1.551   0.700   0.545
+  316SOL    HW2 2521   1.632   0.691   0.403
+  317SOL     OW 2522   0.354   1.510   1.329
+  317SOL    HW1 2523   0.333   1.466   1.242
+  317SOL    HW2 2524   0.451   1.536   1.332
+  318SOL     OW 2525   0.402   0.751   1.598
+  318SOL    HW1 2526   0.470   0.806   1.551
+  318SOL    HW2 2527   0.442   0.663   1.625
+  319SOL     OW 2528   1.587   0.779   1.670
+  319SOL    HW1 2529   1.495   0.817   1.665
+  319SOL    HW2 2530   1.647   0.826   1.605
+  320SOL     OW 2531   1.013   0.105   1.770
+  320SOL    HW1 2532   1.019   0.190   1.718
+  320SOL    HW2 2533   1.045   0.029   1.713
+  321SOL     OW 2534   0.504   0.050   1.740
+  321SOL    HW1 2535   0.462  -0.007   1.670
+  321SOL    HW2 2536   0.438   0.119   1.772
+  322SOL     OW 2537   0.573   0.870   1.029
+  322SOL    HW1 2538   0.617   0.959   1.020
+  322SOL    HW2 2539   0.510   0.870   1.106
+  323SOL     OW 2540   1.360   0.862   1.045
+  323SOL    HW1 2541   1.285   0.862   0.979
+  323SOL    HW2 2542   1.397   0.770   1.054
+  324SOL     OW 2543   1.209   0.525   0.275
+  324SOL    HW1 2544   1.222   0.441   0.329
+  324SOL    HW2 2545   1.180   0.599   0.335
+  325SOL     OW 2546   0.307   0.213   1.231
+  325SOL    HW1 2547   0.284   0.250   1.321
+  325SOL    HW2 2548   0.277   0.118   1.225
+  326SOL     OW 2549   0.037   1.310   1.282
+  326SOL    HW1 2550   0.090   1.261   1.350
+  326SOL    HW2 2551   0.059   1.408   1.287
+  327SOL     OW 2552   0.732   0.634   1.064
+  327SOL    HW1 2553   0.791   0.608   0.988
+  327SOL    HW2 2554   0.704   0.730   1.053
+  328SOL     OW 2555   1.728   0.935   1.854
+  328SOL    HW1 2556   1.682   0.928   1.765
+  328SOL    HW2 2557   1.666   0.979   1.920
+  329SOL     OW 2558   0.307   0.063   0.618
+  329SOL    HW1 2559   0.296   0.157   0.651
+  329SOL    HW2 2560   0.302   0.000   0.695
+  330SOL     OW 2561   1.622   0.367   0.374
+  330SOL    HW1 2562   1.624   0.291   0.438
+  330SOL    HW2 2563   1.574   0.444   0.414
+  331SOL     OW 2564   1.023   0.766   0.966
+  331SOL    HW1 2565   1.038   0.787   1.062
+  331SOL    HW2 2566   0.993   0.671   0.957
+  332SOL     OW 2567   0.980   1.573   1.700
+  332SOL    HW1 2568   0.960   1.617   1.612
+  332SOL    HW2 2569   1.019   1.482   1.684
+  333SOL     OW 2570   1.859   1.518   1.605
+  333SOL    HW1 2571   1.873   1.545   1.510
+  333SOL    HW2 2572   1.942   1.540   1.658
+  334SOL     OW 2573   0.350   0.898   1.804
+  334SOL    HW1 2574   0.426   0.942   1.852
+  334SOL    HW2 2575   0.385   0.851   1.722
+  335SOL     OW 2576   1.540   0.274   0.125
+  335SOL    HW1 2577   1.479   0.199   0.148
+  335SOL    HW2 2578   1.562   0.326   0.208
+  336SOL     OW 2579   1.303   0.838   0.042
+  336SOL    HW1 2580   1.337   0.745   0.057
+  336SOL    HW2 2581   1.321   0.865  -0.053
+  337SOL     OW 2582   1.068   1.333   0.849
+  337SOL    HW1 2583   1.075   1.249   0.794
+  337SOL    HW2 2584   1.130   1.402   0.813
+  338SOL     OW 2585   0.319   0.810   0.949
+  338SOL    HW1 2586   0.412   0.846   0.954
+  338SOL    HW2 2587   0.313   0.725   1.001
+  339SOL     OW 2588   0.339   0.509   1.006
+  339SOL    HW1 2589   0.287   0.426   0.989
+  339SOL    HW2 2590   0.416   0.514   0.942
+  340SOL     OW 2591   1.138   0.380   1.678
+  340SOL    HW1 2592   1.093   0.443   1.742
+  340SOL    HW2 2593   1.231   0.411   1.661
+  341SOL     OW 2594   1.160   0.207   1.477
+  341SOL    HW1 2595   1.160   0.271   1.554
+  341SOL    HW2 2596   1.188   0.255   1.394
+  342SOL     OW 2597   0.008   1.326   0.200
+  342SOL    HW1 2598  -0.085   1.347   0.169
+  342SOL    HW2 2599   0.018   1.227   0.213
+  343SOL     OW 2600   0.088   1.801   0.927
+  343SOL    HW1 2601   0.046   1.715   0.900
+  343SOL    HW2 2602   0.182   1.804   0.893
+  344SOL     OW 2603   0.504   1.568   0.910
+  344SOL    HW1 2604   0.570   1.642   0.919
+  344SOL    HW2 2605   0.548   1.489   0.868
+  345SOL     OW 2606   1.002   0.796   1.238
+  345SOL    HW1 2607   1.043   0.764   1.324
+  345SOL    HW2 2608   0.906   0.769   1.235
+  346SOL     OW 2609   0.040   0.544   1.114
+  346SOL    HW1 2610   0.125   0.511   1.073
+  346SOL    HW2 2611   0.053   0.559   1.212
+  347SOL     OW 2612   0.189   0.520   1.722
+  347SOL    HW1 2613   0.248   0.480   1.652
+  347SOL    HW2 2614   0.131   0.591   1.681
+  348SOL     OW 2615   1.369   0.950   1.660
+  348SOL    HW1 2616   1.408   1.039   1.680
+  348SOL    HW2 2617   1.379   0.930   1.563
+  349SOL     OW 2618   0.815   0.572   0.325
+  349SOL    HW1 2619   0.822   0.483   0.279
+  349SOL    HW2 2620   0.721   0.606   0.317
+  350SOL     OW 2621   1.657   0.604   1.206
+  350SOL    HW1 2622   1.619   0.535   1.268
+  350SOL    HW2 2623   1.739   0.568   1.162
+  351SOL     OW 2624   0.252   1.564   1.744
+  351SOL    HW1 2625   0.222   1.621   1.820
+  351SOL    HW2 2626   0.245   1.467   1.770
+  352SOL     OW 2627   0.671   0.464   1.269
+  352SOL    HW1 2628   0.637   0.375   1.239
+  352SOL    HW2 2629   0.697   0.518   1.189
+  353SOL     OW 2630   0.930   1.678   1.465
+  353SOL    HW1 2631   0.906   1.660   1.370
+  353SOL    HW2 2632   0.960   1.772   1.475
+  354SOL     OW 2633   0.473   0.500   0.191
+  354SOL    HW1 2634   0.534   0.580   0.195
+  354SOL    HW2 2635   0.378   0.531   0.198
+  355SOL     OW 2636   0.159   1.137   1.466
+  355SOL    HW1 2637   0.181   1.076   1.542
+  355SOL    HW2 2638   0.169   1.088   1.380
+  356SOL     OW 2639   1.347   1.059   1.234
+  356SOL    HW1 2640   1.371   0.996   1.160
+  356SOL    HW2 2641   1.257   1.099   1.216
+  357SOL     OW 2642   1.302   0.855   0.309
+  357SOL    HW1 2643   1.216   0.824   0.351
+  357SOL    HW2 2644   1.298   0.841   0.210
+  358SOL     OW 2645   1.759   1.747   1.154
+  358SOL    HW1 2646   1.820   1.777   1.081
+  358SOL    HW2 2647   1.721   1.658   1.132
+  359SOL     OW 2648   1.252   1.731   1.128
+  359SOL    HW1 2649   1.336   1.736   1.074
+  359SOL    HW2 2650   1.229   1.635   1.146
+  360SOL     OW 2651   0.083   1.258   1.022
+  360SOL    HW1 2652   0.078   1.257   1.122
+  360SOL    HW2 2653   0.000   1.217   0.984
+  361SOL     OW 2654   0.688   1.662   1.716
+  361SOL    HW1 2655   0.632   1.743   1.725
+  361SOL    HW2 2656   0.740   1.666   1.630
+  362SOL     OW 2657   0.903   0.086   0.133
+  362SOL    HW1 2658   0.954   0.087   0.047
+  362SOL    HW2 2659   0.959   0.044   0.204
+  363SOL     OW 2660   1.726   0.135   0.523
+  363SOL    HW1 2661   1.799   0.118   0.456
+  363SOL    HW2 2662   1.695   0.048   0.561
+  364SOL     OW 2663   1.388   1.573   0.477
+  364SOL    HW1 2664   1.455   1.585   0.403
+  364SOL    HW2 2665   1.348   1.662   0.500
+  365SOL     OW 2666   0.130   1.794   1.851
+  365SOL    HW1 2667   0.089   1.720   1.904
+  365SOL    HW2 2668   0.194   1.845   1.909
+  366SOL     OW 2669   1.280   0.927   0.672
+  366SOL    HW1 2670   1.340   0.846   0.674
+  366SOL    HW2 2671   1.320   0.996   0.612
+  367SOL     OW 2672   0.830   1.273   1.422
+  367SOL    HW1 2673   0.825   1.306   1.517
+  367SOL    HW2 2674   0.744   1.292   1.376
+  368SOL     OW 2675   0.672   1.616   0.154
+  368SOL    HW1 2676   0.681   1.626   0.055
+  368SOL    HW2 2677   0.632   1.527   0.175
+  369SOL     OW 2678   1.650   1.720   1.394
+  369SOL    HW1 2679   1.703   1.730   1.310
+  369SOL    HW2 2680   1.623   1.810   1.428
+  370SOL     OW 2681   1.841   0.175   0.963
+  370SOL    HW1 2682   1.880   0.090   0.927
+  370SOL    HW2 2683   1.743   0.177   0.944
+  371SOL     OW 2684   0.263   0.326   0.720
+  371SOL    HW1 2685   0.184   0.377   0.686
+  371SOL    HW2 2686   0.254   0.311   0.818
+  372SOL     OW 2687   1.194   1.612   0.031
+  372SOL    HW1 2688   1.200   1.519   0.068
+  372SOL    HW2 2689   1.135   1.612  -0.049
+  373SOL     OW 2690   0.822   1.002   1.372
+  373SOL    HW1 2691   0.862   1.001   1.280
+  373SOL    HW2 2692   0.832   1.094   1.412
+  374SOL     OW 2693   0.916   0.910   0.291
+  374SOL    HW1 2694   0.979   0.948   0.223
+  374SOL    HW2 2695   0.956   0.827   0.330
+  375SOL     OW 2696   1.504   1.607   0.044
+  375SOL    HW1 2697   1.412   1.644   0.051
+  375SOL    HW2 2698   1.542   1.627  -0.046
+  376SOL     OW 2699   0.372   1.288   1.490
+  376SOL    HW1 2700   0.359   1.381   1.456
+  376SOL    HW2 2701   0.288   1.236   1.477
+  377SOL     OW 2702   1.614   1.292   1.289
+  377SOL    HW1 2703   1.674   1.295   1.369
+  377SOL    HW2 2704   1.539   1.356   1.302
+  378SOL     OW 2705   1.039   1.098   0.696
+  378SOL    HW1 2706   0.969   1.051   0.750
+  378SOL    HW2 2707   1.098   1.030   0.653
+  379SOL     OW 2708   1.014   0.236   0.971
+  379SOL    HW1 2709   1.006   0.200   0.878
+  379SOL    HW2 2710   1.012   0.160   1.036
+  380SOL     OW 2711   0.590   1.487   0.491
+  380SOL    HW1 2712   0.632   1.429   0.421
+  380SOL    HW2 2713   0.546   1.566   0.447
+  381SOL     OW 2714   1.709   0.385   1.381
+  381SOL    HW1 2715   1.782   0.454   1.385
+  381SOL    HW2 2716   1.737   0.310   1.322
+  382SOL     OW 2717   0.255   1.348   0.290
+  382SOL    HW1 2718   0.159   1.349   0.263
+  382SOL    HW2 2719   0.267   1.401   0.374
+  383SOL     OW 2720   0.105   1.013   1.726
+  383SOL    HW1 2721   0.028   0.980   1.780
+  383SOL    HW2 2722   0.190   0.983   1.768
+  384SOL     OW 2723   0.672   0.203   1.489
+  384SOL    HW1 2724   0.762   0.187   1.449
+  384SOL    HW2 2725   0.680   0.208   1.588
+  385SOL     OW 2726   0.075   0.345   0.033
+  385SOL    HW1 2727  -0.017   0.317   0.004
+  385SOL    HW2 2728   0.106   0.422  -0.023
+  386SOL     OW 2729   1.440   0.856   1.398
+  386SOL    HW1 2730   1.383   0.908   1.335
+  386SOL    HW2 2731   1.536   0.868   1.374
+  387SOL     OW 2732   0.072   0.166   0.318
+  387SOL    HW1 2733   0.055   0.249   0.264
+  387SOL    HW2 2734   0.162   0.129   0.296
+  388SOL     OW 2735   1.183   1.335   0.119
+  388SOL    HW1 2736   1.084   1.324   0.121
+  388SOL    HW2 2737   1.217   1.350   0.212
+  389SOL     OW 2738   0.613   0.842   1.431
+  389SOL    HW1 2739   0.669   0.923   1.414
+  389SOL    HW2 2740   0.672   0.762   1.434
+  390SOL     OW 2741   1.493   1.767   0.959
+  390SOL    HW1 2742   1.526   1.831   0.890
+  390SOL    HW2 2743   1.559   1.761   1.034
+  391SOL     OW 2744   0.716   0.565   1.708
+  391SOL    HW1 2745   0.735   0.630   1.782
+  391SOL    HW2 2746   0.776   0.485   1.717
+  392SOL     OW 2747   1.450   1.220   1.633
+  392SOL    HW1 2748   1.441   1.210   1.732
+  392SOL    HW2 2749   1.546   1.213   1.607
+  393SOL     OW 2750   0.390   1.741   1.560
+  393SOL    HW1 2751   0.299   1.782   1.558
+  393SOL    HW2 2752   0.383   1.647   1.592
+  394SOL     OW 2753   1.674   0.883   1.254
+  394SOL    HW1 2754   1.647   0.794   1.217
+  394SOL    HW2 2755   1.675   0.951   1.181
+  395SOL     OW 2756   1.225   0.325   0.449
+  395SOL    HW1 2757   1.290   0.251   0.438
+  395SOL    HW2 2758   1.245   0.375   0.533
+  396SOL     OW 2759   0.594   0.745   0.652
+  396SOL    HW1 2760   0.644   0.830   0.633
+  396SOL    HW2 2761   0.506   0.747   0.604
+  397SOL     OW 2762   1.777   0.342   1.642
+  397SOL    HW1 2763   1.760   0.373   1.548
+  397SOL    HW2 2764   1.693   0.305   1.680
+  398SOL     OW 2765   1.730   0.934   1.517
+  398SOL    HW1 2766   1.768   1.025   1.532
+  398SOL    HW2 2767   1.722   0.917   1.418
+  399SOL     OW 2768   0.859   1.374   0.016
+  399SOL    HW1 2769   0.813   1.389   0.104
+  399SOL    HW2 2770   0.903   1.459  -0.014
+  400SOL     OW 2771   0.661   1.790   0.953
+  400SOL    HW1 2772   0.615   1.878   0.940
+  400SOL    HW2 2773   0.760   1.802   0.946
+  401SOL     OW 2774   0.859   0.956   0.861
+  401SOL    HW1 2775   0.913   0.887   0.909
+  401SOL    HW2 2776   0.827   1.025   0.927
+  402SOL     OW 2777   1.083   0.984   0.087
+  402SOL    HW1 2778   1.060   1.037   0.005
+  402SOL    HW2 2779   1.164   0.928   0.068
+  403SOL     OW 2780   1.861   1.569   0.851
+  403SOL    HW1 2781   1.790   1.557   0.781
+  403SOL    HW2 2782   1.862   1.490   0.911
+  404SOL     OW 2783   0.221   1.314   1.844
+  404SOL    HW1 2784   0.156   1.241   1.823
+  404SOL    HW2 2785   0.225   1.328   1.942
+  405SOL     OW 2786   0.079   1.240   0.653
+  405SOL    HW1 2787   0.078   1.193   0.741
+  405SOL    HW2 2788   0.161   1.212   0.602
+  406SOL     OW 2789   0.672   1.391   1.624
+  406SOL    HW1 2790   0.594   1.341   1.662
+  406SOL    HW2 2791   0.669   1.486   1.655
+  407SOL     OW 2792   1.824   0.192   1.227
+  407SOL    HW1 2793   1.820   0.102   1.271
+  407SOL    HW2 2794   1.827   0.181   1.128
+  408SOL     OW 2795   0.428   0.424   0.520
+  408SOL    HW1 2796   0.458   0.352   0.458
+  408SOL    HW2 2797   0.389   0.384   0.603
+  409SOL     OW 2798   1.705   1.487   1.104
+  409SOL    HW1 2799   1.612   1.462   1.077
+  409SOL    HW2 2800   1.731   1.437   1.186
+  410SOL     OW 2801   0.317   0.547   1.280
+  410SOL    HW1 2802   0.355   0.488   1.352
+  410SOL    HW2 2803   0.357   0.521   1.192
+  411SOL     OW 2804   0.812   1.586   0.687
+  411SOL    HW1 2805   0.844   1.596   0.593
+  411SOL    HW2 2806   0.733   1.524   0.689
+  412SOL     OW 2807   1.424   0.214   1.112
+  412SOL    HW1 2808   1.476   0.149   1.167
+  412SOL    HW2 2809   1.375   0.277   1.173
+  413SOL     OW 2810   1.001   0.034   1.154
+  413SOL    HW1 2811   0.938  -0.038   1.123
+  413SOL    HW2 2812   1.094  -0.002   1.154
+  414SOL     OW 2813   0.770   1.330   0.301
+  414SOL    HW1 2814   0.724   1.243   0.318
+  414SOL    HW2 2815   0.861   1.327   0.342
+  415SOL     OW 2816   0.618   1.567   1.284
+  415SOL    HW1 2817   0.613   1.649   1.341
+  415SOL    HW2 2818   0.707   1.564   1.239
+  416SOL     OW 2819   1.352   0.052   0.168
+  416SOL    HW1 2820   1.387   0.011   0.084
+  416SOL    HW2 2821   1.262   0.014   0.188
+  417SOL     OW 2822   1.300   0.453   0.691
+  417SOL    HW1 2823   1.241   0.533   0.695
+  417SOL    HW2 2824   1.315   0.418   0.784
+  418SOL     OW 2825   1.593   0.221   0.882
+  418SOL    HW1 2826   1.509   0.220   0.936
+  418SOL    HW2 2827   1.595   0.304   0.826
+  419SOL     OW 2828   0.039   1.077   0.300
+  419SOL    HW1 2829   0.138   1.066   0.291
+  419SOL    HW2 2830  -0.001   0.991   0.332
+  420SOL     OW 2831   0.875   1.646   0.337
+  420SOL    HW1 2832   0.798   1.611   0.283
+  420SOL    HW2 2833   0.843   1.717   0.399
+  421SOL     OW 2834   0.230   0.628   1.975
+  421SOL    HW1 2835   0.137   0.626   2.012
+  421SOL    HW2 2836   0.231   0.589   1.883
+  422SOL     OW 2837   0.225   0.275   2.858
+  422SOL    HW1 2838   0.260   0.258   2.950
+  422SOL    HW2 2839   0.137   0.230   2.846
+  423SOL     OW 2840   0.019   0.368   2.509
+  423SOL    HW1 2841  -0.063   0.411   2.548
+  423SOL    HW2 2842  -0.009   0.295   2.446
+  424SOL     OW 2843   0.569   1.275   3.027
+  424SOL    HW1 2844   0.476   1.268   2.990
+  424SOL    HW2 2845   0.580   1.364   3.071
+  425SOL     OW 2846   1.555   1.511   2.565
+  425SOL    HW1 2847   1.498   1.495   2.646
+  425SOL    HW2 2848   1.496   1.521   2.485
+  426SOL     OW 2849   1.135   0.703   2.579
+  426SOL    HW1 2850   1.192   0.781   2.554
+  426SOL    HW2 2851   1.075   0.729   2.655
+  427SOL     OW 2852   1.755   0.607   2.093
+  427SOL    HW1 2853   1.743   0.594   1.994
+  427SOL    HW2 2854   1.725   0.526   2.142
+  428SOL     OW 2855   0.768   1.144   2.885
+  428SOL    HW1 2856   0.690   1.161   2.945
+  428SOL    HW2 2857   0.802   1.231   2.849
+  429SOL     OW 2858   0.850   0.798   3.685
+  429SOL    HW1 2859   0.846   0.874   3.750
+  429SOL    HW2 2860   0.872   0.834   3.594
+  430SOL     OW 2861   0.685   1.012   2.527
+  430SOL    HW1 2862   0.754   0.996   2.597
+  430SOL    HW2 2863   0.612   1.069   2.565
+  431SOL     OW 2864   0.686   1.161   3.665
+  431SOL    HW1 2865   0.746   1.240   3.679
+  431SOL    HW2 2866   0.600   1.192   3.624
+  432SOL     OW 2867   0.335   1.435   2.923
+  432SOL    HW1 2868   0.257   1.404   2.870
+  432SOL    HW2 2869   0.393   1.493   2.866
+  433SOL     OW 2870   1.460   1.505   3.201
+  433SOL    HW1 2871   1.484   1.599   3.227
+  433SOL    HW2 2872   1.444   1.451   3.283
+  434SOL     OW 2873   0.438   0.392   3.361
+  434SOL    HW1 2874   0.520   0.336   3.370
+  434SOL    HW2 2875   0.357   0.334   3.365
+  435SOL     OW 2876   1.603   0.447   2.599
+  435SOL    HW1 2877   1.529   0.493   2.549
+  435SOL    HW2 2878   1.654   0.515   2.652
+  436SOL     OW 2879   0.231   1.713   2.345
+  436SOL    HW1 2880   0.265   1.790   2.399
+  436SOL    HW2 2881   0.275   1.713   2.255
+  437SOL     OW 2882   1.127   1.341   3.552
+  437SOL    HW1 2883   1.174   1.341   3.640
+  437SOL    HW2 2884   1.079   1.254   3.541
+  438SOL     OW 2885   0.230   1.434   2.400
+  438SOL    HW1 2886   0.204   1.530   2.400
+  438SOL    HW2 2887   0.159   1.380   2.445
+  439SOL     OW 2888   0.240   1.091   2.748
+  439SOL    HW1 2889   0.254   1.007   2.800
+  439SOL    HW2 2890   0.185   1.155   2.803
+  440SOL     OW 2891   0.620   1.786   3.301
+  440SOL    HW1 2892   0.528   1.769   3.336
+  440SOL    HW2 2893   0.648   1.878   3.327
+  441SOL     OW 2894   0.606   0.964   1.985
+  441SOL    HW1 2895   0.613   1.048   1.931
+  441SOL    HW2 2896   0.652   0.977   2.073
+  442SOL     OW 2897   1.594   0.114   3.342
+  442SOL    HW1 2898   1.576   0.181   3.270
+  442SOL    HW2 2899   1.591   0.160   3.431
+  443SOL     OW 2900   0.122   0.643   2.425
+  443SOL    HW1 2901   0.077   0.555   2.442
+  443SOL    HW2 2902   0.121   0.697   2.509
+  444SOL     OW 2903   1.842   1.767   2.221
+  444SOL    HW1 2904   1.896   1.738   2.301
+  444SOL    HW2 2905   1.872   1.857   2.192
+  445SOL     OW 2906   0.027   1.596   1.979
+  445SOL    HW1 2907   0.008   1.500   2.000
+  445SOL    HW2 2908  -0.006   1.654   2.054
+  446SOL     OW 2909   1.689   0.922   2.474
+  446SOL    HW1 2910   1.784   0.893   2.482
+  446SOL    HW2 2911   1.681   0.987   2.399
+  447SOL     OW 2912   1.641   1.108   2.294
+  447SOL    HW1 2913   1.727   1.110   2.242
+  447SOL    HW2 2914   1.655   1.155   2.382
+  448SOL     OW 2915   0.113   0.737   3.459
+  448SOL    HW1 2916   0.201   0.724   3.504
+  448SOL    HW2 2917   0.100   0.834   3.437
+  449SOL     OW 2918   0.613   1.365   2.588
+  449SOL    HW1 2919   0.564   1.278   2.597
+  449SOL    HW2 2920   0.590   1.408   2.501
+  450SOL     OW 2921   1.293   1.228   3.285
+  450SOL    HW1 2922   1.330   1.155   3.227
+  450SOL    HW2 2923   1.345   1.233   3.370
+  451SOL     OW 2924   0.809   0.004   2.364
+  451SOL    HW1 2925   0.849   0.095   2.355
+  451SOL    HW2 2926   0.709   0.012   2.370
+  452SOL     OW 2927   0.197   0.976   3.126
+  452SOL    HW1 2928   0.286   0.931   3.112
+  452SOL    HW2 2929   0.124   0.911   3.107
+  453SOL     OW 2930   1.525   0.999   2.052
+  453SOL    HW1 2931   1.462   0.923   2.065
+  453SOL    HW2 2932   1.573   1.017   2.138
+  454SOL     OW 2933   1.187   1.792   3.478
+  454SOL    HW1 2934   1.211   1.852   3.402
+  454SOL    HW2 2935   1.194   1.697   3.448
+  455SOL     OW 2936   0.317   0.251   3.663
+  455SOL    HW1 2937   0.388   0.322   3.669
+  455SOL    HW2 2938   0.229   0.290   3.691
+  456SOL     OW 2939   1.466   1.417   2.815
+  456SOL    HW1 2940   1.407   1.423   2.895
+  456SOL    HW2 2941   1.451   1.329   2.769
+  457SOL     OW 2942   1.667   1.714   2.434
+  457SOL    HW1 2943   1.626   1.691   2.346
+  457SOL    HW2 2944   1.649   1.640   2.499
+  458SOL     OW 2945   0.598   0.729   2.132
+  458SOL    HW1 2946   0.622   0.798   2.064
+  458SOL    HW2 2947   0.520   0.762   2.186
+  459SOL     OW 2948   1.281   0.345   2.806
+  459SOL    HW1 2949   1.195   0.295   2.793
+  459SOL    HW2 2950   1.343   0.291   2.862
+  460SOL     OW 2951   1.576   1.662   2.169
+  460SOL    HW1 2952   1.665   1.708   2.172
+  460SOL    HW2 2953   1.555   1.638   2.074
+  461SOL     OW 2954   0.807   0.605   3.327
+  461SOL    HW1 2955   0.760   0.602   3.416
+  461SOL    HW2 2956   0.756   0.550   3.261
+  462SOL     OW 2957   1.394   0.469   3.536
+  462SOL    HW1 2958   1.374   0.512   3.624
+  462SOL    HW2 2959   1.472   0.407   3.545
+  463SOL     OW 2960   0.973   0.890   3.434
+  463SOL    HW1 2961   1.019   0.806   3.405
+  463SOL    HW2 2962   0.917   0.924   3.359
+  464SOL     OW 2963   0.991   0.410   3.104
+  464SOL    HW1 2964   0.914   0.444   3.158
+  464SOL    HW2 2965   0.957   0.359   3.025
+  465SOL     OW 2966   1.041   0.701   2.291
+  465SOL    HW1 2967   1.067   0.697   2.387
+  465SOL    HW2 2968   0.956   0.650   2.277
+  466SOL     OW 2969   0.076   0.811   2.651
+  466SOL    HW1 2970   0.175   0.799   2.660
+  466SOL    HW2 2971   0.052   0.906   2.672
+  467SOL     OW 2972   0.130   1.821   3.433
+  467SOL    HW1 2973   0.120   1.806   3.532
+  467SOL    HW2 2974   0.044   1.857   3.397
+  468SOL     OW 2975   0.865   0.348   2.057
+  468SOL    HW1 2976   0.924   0.411   2.008
+  468SOL    HW2 2977   0.884   0.254   2.028
+  469SOL     OW 2978   1.719   0.585   3.693
+  469SOL    HW1 2979   1.693   0.674   3.657
+  469SOL    HW2 2980   1.717   0.517   3.620
+  470SOL     OW 2981   1.362   1.144   2.407
+  470SOL    HW1 2982   1.445   1.115   2.359
+  470SOL    HW2 2983   1.313   1.211   2.351
+  471SOL     OW 2984   0.550   0.196   2.747
+  471SOL    HW1 2985   0.545   0.191   2.847
+  471SOL    HW2 2986   0.552   0.292   2.718
+  472SOL     OW 2987   1.008   1.456   2.339
+  472SOL    HW1 2988   0.962   1.528   2.287
+  472SOL    HW2 2989   1.004   1.476   2.437
+  473SOL     OW 2990   0.351   1.801   2.715
+  473SOL    HW1 2991   0.401   1.715   2.721
+  473SOL    HW2 2992   0.416   1.878   2.712
+  474SOL     OW 2993   1.795   1.066   2.735
+  474SOL    HW1 2994   1.733   1.051   2.659
+  474SOL    HW2 2995   1.743   1.077   2.820
+  475SOL     OW 2996   1.227   1.550   3.368
+  475SOL    HW1 2997   1.233   1.473   3.432
+  475SOL    HW2 2998   1.175   1.524   3.288
+  476SOL     OW 2999   0.321   0.943   2.104
+  476SOL    HW1 3000   0.403   0.982   2.062
+  476SOL    HW2 3001   0.294   0.861   2.055
+  477SOL     OW 3002   1.458   0.735   2.590
+  477SOL    HW1 3003   1.453   0.670   2.665
+  477SOL    HW2 3004   1.538   0.794   2.603
+  478SOL     OW 3005   0.461   1.266   3.589
+  478SOL    HW1 3006   0.411   1.267   3.503
+  478SOL    HW2 3007   0.398   1.248   3.665
+  479SOL     OW 3008   1.111   1.776   2.099
+  479SOL    HW1 3009   1.051   1.714   2.149
+  479SOL    HW2 3010   1.142   1.732   2.014
+  480SOL     OW 3011   0.202   0.285   3.360
+  480SOL    HW1 3012   0.122   0.345   3.347
+  480SOL    HW2 3013   0.192   0.236   3.446
+  481SOL     OW 3014   1.632   1.377   1.943
+  481SOL    HW1 3015   1.600   1.471   1.933
+  481SOL    HW2 3016   1.556   1.314   1.931
+  482SOL     OW 3017   0.464   1.743   2.185
+  482SOL    HW1 3018   0.497   1.782   2.271
+  482SOL    HW2 3019   0.540   1.736   2.120
+  483SOL     OW 3020   1.400   0.107   2.288
+  483SOL    HW1 3021   1.376   0.070   2.198
+  483SOL    HW2 3022   1.499   0.123   2.292
+  484SOL     OW 3023   0.249   1.785   3.103
+  484SOL    HW1 3024   0.306   1.720   3.153
+  484SOL    HW2 3025   0.233   1.752   3.010
+  485SOL     OW 3026   0.940   1.698   2.766
+  485SOL    HW1 3027   1.020   1.641   2.787
+  485SOL    HW2 3028   0.891   1.658   2.689
+  486SOL     OW 3029   0.382   0.700   2.342
+  486SOL    HW1 3030   0.427   0.610   2.339
+  486SOL    HW2 3031   0.288   0.689   2.375
+  487SOL     OW 3032   1.547   0.222   3.591
+  487SOL    HW1 3033   1.542   0.259   3.683
+  487SOL    HW2 3034   1.475   0.153   3.579
+  488SOL     OW 3035   0.614   0.122   1.979
+  488SOL    HW1 3036   0.712   0.100   1.986
+  488SOL    HW2 3037   0.583   0.105   1.886
+  489SOL     OW 3038   0.781   0.264   3.611
+  489SOL    HW1 3039   0.848   0.203   3.654
+  489SOL    HW2 3040   0.708   0.283   3.676
+  490SOL     OW 3041   0.888   1.514   3.057
+  490SOL    HW1 3042   0.865   1.489   2.963
+  490SOL    HW2 3043   0.949   1.445   3.096
+  491SOL     OW 3044   1.351   0.590   3.295
+  491SOL    HW1 3045   1.379   0.547   3.380
+  491SOL    HW2 3046   1.376   0.686   3.296
+  492SOL     OW 3047   0.803   1.402   2.786
+  492SOL    HW1 3048   0.893   1.416   2.744
+  492SOL    HW2 3049   0.732   1.404   2.715
+  493SOL     OW 3050   0.922   0.503   2.761
+  493SOL    HW1 3051   0.897   0.494   2.665
+  493SOL    HW2 3052   0.970   0.421   2.792
+  494SOL     OW 3053   0.539   0.064   2.374
+  494SOL    HW1 3054   0.458   0.065   2.432
+  494SOL    HW2 3055   0.542   0.147   2.319
+  495SOL     OW 3056   1.434   1.188   1.903
+  495SOL    HW1 3057   1.466   1.112   1.960
+  495SOL    HW2 3058   1.342   1.215   1.933
+  496SOL     OW 3059   0.297   0.035   2.033
+  496SOL    HW1 3060   0.346   0.119   2.012
+  496SOL    HW2 3061   0.359  -0.030   2.078
+  497SOL     OW 3062   0.935   0.236   2.342
+  497SOL    HW1 3063   0.887   0.277   2.264
+  497SOL    HW2 3064   1.034   0.234   2.323
+  498SOL     OW 3065   1.076   0.683   3.326
+  498SOL    HW1 3066   0.996   0.622   3.329
+  498SOL    HW2 3067   1.157   0.630   3.302
+  499SOL     OW 3068   1.227   1.570   2.655
+  499SOL    HW1 3069   1.248   1.644   2.590
+  499SOL    HW2 3070   1.295   1.570   2.728
+  500SOL     OW 3071   0.459   1.152   2.603
+  500SOL    HW1 3072   0.388   1.125   2.668
+  500SOL    HW2 3073   0.433   1.124   2.510
+  501SOL     OW 3074   1.271   1.797   2.453
+  501SOL    HW1 3075   1.315   1.861   2.389
+  501SOL    HW2 3076   1.221   1.849   2.523
+  502SOL     OW 3077   1.032   0.549   1.878
+  502SOL    HW1 3078   0.991   0.631   1.839
+  502SOL    HW2 3079   1.096   0.575   1.951
+  503SOL     OW 3080   0.078   0.556   3.248
+  503SOL    HW1 3081   0.170   0.555   3.207
+  503SOL    HW2 3082   0.072   0.630   3.315
+  504SOL     OW 3083   0.561   0.222   3.009
+  504SOL    HW1 3084   0.599   0.138   3.046
+  504SOL    HW2 3085   0.473   0.241   3.053
+  505SOL     OW 3086   0.866   0.454   2.504
+  505SOL    HW1 3087   0.834   0.526   2.442
+  505SOL    HW2 3088   0.890   0.373   2.451
+  506SOL     OW 3089   1.017   0.039   2.615
+  506SOL    HW1 3090   0.945   0.044   2.546
+  506SOL    HW2 3091   0.993  -0.030   2.684
+  507SOL     OW 3092   1.429   1.173   2.729
+  507SOL    HW1 3093   1.374   1.089   2.722
+  507SOL    HW2 3094   1.455   1.202   2.637
+  508SOL     OW 3095   1.466   0.590   2.854
+  508SOL    HW1 3096   1.436   0.495   2.861
+  508SOL    HW2 3097   1.539   0.606   2.920
+  509SOL     OW 3098   1.857   0.833   2.239
+  509SOL    HW1 3099   1.899   0.769   2.303
+  509SOL    HW2 3100   1.819   0.782   2.161
+  510SOL     OW 3101   0.488   1.385   2.036
+  510SOL    HW1 3102   0.401   1.370   2.083
+  510SOL    HW2 3103   0.471   1.411   1.941
+  511SOL     OW 3104   1.664   1.280   2.519
+  511SOL    HW1 3105   1.763   1.288   2.533
+  511SOL    HW2 3106   1.619   1.364   2.550
+  512SOL     OW 3107   1.390   0.575   1.940
+  512SOL    HW1 3108   1.336   0.554   2.021
+  512SOL    HW2 3109   1.481   0.534   1.949
+  513SOL     OW 3110   0.527   0.256   2.190
+  513SOL    HW1 3111   0.554   0.197   2.115
+  513SOL    HW2 3112   0.527   0.351   2.159
+  514SOL     OW 3113   1.754   1.223   3.450
+  514SOL    HW1 3114   1.845   1.184   3.437
+  514SOL    HW2 3115   1.762   1.319   3.474
+  515SOL     OW 3116   1.064   1.347   3.202
+  515SOL    HW1 3117   0.984   1.324   3.257
+  515SOL    HW2 3118   1.147   1.321   3.251
+  516SOL     OW 3119   1.592   1.629   3.487
+  516SOL    HW1 3120   1.619   1.663   3.397
+  516SOL    HW2 3121   1.671   1.591   3.533
+  517SOL     OW 3122   1.111   1.195   2.962
+  517SOL    HW1 3123   1.071   1.239   3.043
+  517SOL    HW2 3124   1.070   1.232   2.879
+  518SOL     OW 3125   1.638   1.099   2.941
+  518SOL    HW1 3126   1.643   1.180   3.000
+  518SOL    HW2 3127   1.552   1.101   2.890
+  519SOL     OW 3128   0.915   0.089   3.264
+  519SOL    HW1 3129   0.940   0.069   3.169
+  519SOL    HW2 3130   0.987   0.145   3.306
+  520SOL     OW 3131   0.980   1.116   3.581
+  520SOL    HW1 3132   0.881   1.122   3.591
+  520SOL    HW2 3133   1.003   1.036   3.525
+  521SOL     OW 3134   0.705   1.050   2.230
+  521SOL    HW1 3135   0.691   1.057   2.329
+  521SOL    HW2 3136   0.789   0.999   2.212
+  522SOL     OW 3137   0.410   0.813   3.113
+  522SOL    HW1 3138   0.496   0.825   3.163
+  522SOL    HW2 3139   0.368   0.726   3.140
+  523SOL     OW 3140   1.274   0.386   3.124
+  523SOL    HW1 3141   1.295   0.460   3.188
+  523SOL    HW2 3142   1.185   0.403   3.081
+  524SOL     OW 3143   0.064   1.564   3.193
+  524SOL    HW1 3144   0.018   1.646   3.159
+  524SOL    HW2 3145   0.162   1.583   3.202
+  525SOL     OW 3146   0.367   1.100   2.363
+  525SOL    HW1 3147   0.360   1.183   2.307
+  525SOL    HW2 3148   0.371   1.020   2.303
+  526SOL     OW 3149   0.566   0.537   2.727
+  526SOL    HW1 3150   0.578   0.603   2.653
+  526SOL    HW2 3151   0.612   0.571   2.810
+  527SOL     OW 3152   1.252   1.348   2.250
+  527SOL    HW1 3153   1.302   1.425   2.290
+  527SOL    HW2 3154   1.157   1.350   2.282
+  528SOL     OW 3155   1.272   1.445   3.004
+  528SOL    HW1 3156   1.319   1.458   3.091
+  528SOL    HW2 3157   1.206   1.371   3.013
+  529SOL     OW 3158   1.582   0.639   2.334
+  529SOL    HW1 3159   1.551   0.700   2.407
+  529SOL    HW2 3160   1.632   0.691   2.265
+  530SOL     OW 3161   0.354   1.510   3.191
+  530SOL    HW1 3162   0.333   1.466   3.104
+  530SOL    HW2 3163   0.451   1.536   3.194
+  531SOL     OW 3164   0.402   0.751   3.460
+  531SOL    HW1 3165   0.470   0.806   3.413
+  531SOL    HW2 3166   0.442   0.663   3.487
+  532SOL     OW 3167   1.587   0.779   3.532
+  532SOL    HW1 3168   1.495   0.817   3.527
+  532SOL    HW2 3169   1.647   0.826   3.467
+  533SOL     OW 3170   1.013   0.105   3.632
+  533SOL    HW1 3171   1.019   0.190   3.580
+  533SOL    HW2 3172   1.045   0.029   3.575
+  534SOL     OW 3173   0.504   0.050   3.602
+  534SOL    HW1 3174   0.462  -0.007   3.532
+  534SOL    HW2 3175   0.438   0.119   3.634
+  535SOL     OW 3176   0.573   0.870   2.891
+  535SOL    HW1 3177   0.617   0.959   2.882
+  535SOL    HW2 3178   0.510   0.870   2.968
+  536SOL     OW 3179   1.360   0.862   2.907
+  536SOL    HW1 3180   1.285   0.862   2.841
+  536SOL    HW2 3181   1.397   0.770   2.916
+  537SOL     OW 3182   1.209   0.525   2.137
+  537SOL    HW1 3183   1.222   0.441   2.191
+  537SOL    HW2 3184   1.180   0.599   2.197
+  538SOL     OW 3185   0.307   0.213   3.093
+  538SOL    HW1 3186   0.284   0.250   3.183
+  538SOL    HW2 3187   0.277   0.118   3.087
+  539SOL     OW 3188   0.037   1.310   3.144
+  539SOL    HW1 3189   0.090   1.261   3.212
+  539SOL    HW2 3190   0.059   1.408   3.149
+  540SOL     OW 3191   0.732   0.634   2.926
+  540SOL    HW1 3192   0.791   0.608   2.850
+  540SOL    HW2 3193   0.704   0.730   2.915
+  541SOL     OW 3194   1.728   0.935   3.716
+  541SOL    HW1 3195   1.682   0.928   3.627
+  541SOL    HW2 3196   1.666   0.979   3.782
+  542SOL     OW 3197   0.307   0.063   2.480
+  542SOL    HW1 3198   0.296   0.157   2.513
+  542SOL    HW2 3199   0.302   0.000   2.557
+  543SOL     OW 3200   1.622   0.367   2.236
+  543SOL    HW1 3201   1.624   0.291   2.300
+  543SOL    HW2 3202   1.574   0.444   2.276
+  544SOL     OW 3203   1.023   0.766   2.828
+  544SOL    HW1 3204   1.038   0.787   2.924
+  544SOL    HW2 3205   0.993   0.671   2.819
+  545SOL     OW 3206   0.980   1.573   3.562
+  545SOL    HW1 3207   0.960   1.617   3.474
+  545SOL    HW2 3208   1.019   1.482   3.546
+  546SOL     OW 3209   1.859   1.518   3.467
+  546SOL    HW1 3210   1.873   1.545   3.372
+  546SOL    HW2 3211   1.942   1.540   3.520
+  547SOL     OW 3212   0.350   0.898   3.666
+  547SOL    HW1 3213   0.426   0.942   3.714
+  547SOL    HW2 3214   0.385   0.851   3.584
+  548SOL     OW 3215   1.540   0.274   1.987
+  548SOL    HW1 3216   1.479   0.199   2.010
+  548SOL    HW2 3217   1.562   0.326   2.070
+  549SOL     OW 3218   1.303   0.838   1.904
+  549SOL    HW1 3219   1.337   0.745   1.919
+  549SOL    HW2 3220   1.321   0.865   1.809
+  550SOL     OW 3221   1.068   1.333   2.711
+  550SOL    HW1 3222   1.075   1.249   2.656
+  550SOL    HW2 3223   1.130   1.402   2.675
+  551SOL     OW 3224   0.319   0.810   2.811
+  551SOL    HW1 3225   0.412   0.846   2.816
+  551SOL    HW2 3226   0.313   0.725   2.863
+  552SOL     OW 3227   0.339   0.509   2.868
+  552SOL    HW1 3228   0.287   0.426   2.851
+  552SOL    HW2 3229   0.416   0.514   2.804
+  553SOL     OW 3230   1.138   0.380   3.540
+  553SOL    HW1 3231   1.093   0.443   3.604
+  553SOL    HW2 3232   1.231   0.411   3.523
+  554SOL     OW 3233   1.160   0.207   3.339
+  554SOL    HW1 3234   1.160   0.271   3.416
+  554SOL    HW2 3235   1.188   0.255   3.256
+  555SOL     OW 3236   0.008   1.326   2.062
+  555SOL    HW1 3237  -0.085   1.347   2.031
+  555SOL    HW2 3238   0.018   1.227   2.075
+  556SOL     OW 3239   0.088   1.801   2.789
+  556SOL    HW1 3240   0.046   1.715   2.762
+  556SOL    HW2 3241   0.182   1.804   2.755
+  557SOL     OW 3242   0.504   1.568   2.772
+  557SOL    HW1 3243   0.570   1.642   2.781
+  557SOL    HW2 3244   0.548   1.489   2.730
+  558SOL     OW 3245   1.002   0.796   3.100
+  558SOL    HW1 3246   1.043   0.764   3.186
+  558SOL    HW2 3247   0.906   0.769   3.097
+  559SOL     OW 3248   0.040   0.544   2.976
+  559SOL    HW1 3249   0.125   0.511   2.935
+  559SOL    HW2 3250   0.053   0.559   3.074
+  560SOL     OW 3251   0.189   0.520   3.584
+  560SOL    HW1 3252   0.248   0.480   3.514
+  560SOL    HW2 3253   0.131   0.591   3.543
+  561SOL     OW 3254   1.369   0.950   3.522
+  561SOL    HW1 3255   1.408   1.039   3.542
+  561SOL    HW2 3256   1.379   0.930   3.425
+  562SOL     OW 3257   0.815   0.572   2.187
+  562SOL    HW1 3258   0.822   0.483   2.141
+  562SOL    HW2 3259   0.721   0.606   2.179
+  563SOL     OW 3260   1.657   0.604   3.068
+  563SOL    HW1 3261   1.619   0.535   3.130
+  563SOL    HW2 3262   1.739   0.568   3.024
+  564SOL     OW 3263   0.252   1.564   3.606
+  564SOL    HW1 3264   0.222   1.621   3.682
+  564SOL    HW2 3265   0.245   1.467   3.632
+  565SOL     OW 3266   0.671   0.464   3.131
+  565SOL    HW1 3267   0.637   0.375   3.101
+  565SOL    HW2 3268   0.697   0.518   3.051
+  566SOL     OW 3269   0.930   1.678   3.327
+  566SOL    HW1 3270   0.906   1.660   3.232
+  566SOL    HW2 3271   0.960   1.772   3.337
+  567SOL     OW 3272   0.473   0.500   2.053
+  567SOL    HW1 3273   0.534   0.580   2.057
+  567SOL    HW2 3274   0.378   0.531   2.060
+  568SOL     OW 3275   0.159   1.137   3.328
+  568SOL    HW1 3276   0.181   1.076   3.404
+  568SOL    HW2 3277   0.169   1.088   3.242
+  569SOL     OW 3278   1.347   1.059   3.096
+  569SOL    HW1 3279   1.371   0.996   3.022
+  569SOL    HW2 3280   1.257   1.099   3.078
+  570SOL     OW 3281   1.302   0.855   2.171
+  570SOL    HW1 3282   1.216   0.824   2.213
+  570SOL    HW2 3283   1.298   0.841   2.072
+  571SOL     OW 3284   1.759   1.747   3.016
+  571SOL    HW1 3285   1.820   1.777   2.943
+  571SOL    HW2 3286   1.721   1.658   2.994
+  572SOL     OW 3287   1.252   1.731   2.990
+  572SOL    HW1 3288   1.336   1.736   2.936
+  572SOL    HW2 3289   1.229   1.635   3.008
+  573SOL     OW 3290   0.083   1.258   2.884
+  573SOL    HW1 3291   0.078   1.257   2.984
+  573SOL    HW2 3292   0.000   1.217   2.846
+  574SOL     OW 3293   0.688   1.662   3.578
+  574SOL    HW1 3294   0.632   1.743   3.587
+  574SOL    HW2 3295   0.740   1.666   3.492
+  575SOL     OW 3296   1.726   0.135   2.385
+  575SOL    HW1 3297   1.799   0.118   2.318
+  575SOL    HW2 3298   1.695   0.048   2.423
+  576SOL     OW 3299   1.388   1.573   2.339
+  576SOL    HW1 3300   1.455   1.585   2.265
+  576SOL    HW2 3301   1.348   1.662   2.362
+  577SOL     OW 3302   0.130   1.794   3.713
+  577SOL    HW1 3303   0.089   1.720   3.766
+  577SOL    HW2 3304   0.194   1.845   3.771
+  578SOL     OW 3305   1.280   0.927   2.534
+  578SOL    HW1 3306   1.340   0.846   2.536
+  578SOL    HW2 3307   1.320   0.996   2.474
+  579SOL     OW 3308   0.830   1.273   3.284
+  579SOL    HW1 3309   0.825   1.306   3.379
+  579SOL    HW2 3310   0.744   1.292   3.238
+  580SOL     OW 3311   0.672   1.616   2.016
+  580SOL    HW1 3312   0.681   1.626   1.917
+  580SOL    HW2 3313   0.632   1.527   2.037
+  581SOL     OW 3314   1.650   1.720   3.256
+  581SOL    HW1 3315   1.703   1.730   3.172
+  581SOL    HW2 3316   1.623   1.810   3.290
+  582SOL     OW 3317   1.841   0.175   2.825
+  582SOL    HW1 3318   1.880   0.090   2.789
+  582SOL    HW2 3319   1.743   0.177   2.806
+  583SOL     OW 3320   0.263   0.326   2.582
+  583SOL    HW1 3321   0.184   0.377   2.548
+  583SOL    HW2 3322   0.254   0.311   2.680
+  584SOL     OW 3323   1.194   1.612   1.893
+  584SOL    HW1 3324   1.200   1.519   1.930
+  584SOL    HW2 3325   1.135   1.612   1.813
+  585SOL     OW 3326   0.822   1.002   3.234
+  585SOL    HW1 3327   0.862   1.001   3.142
+  585SOL    HW2 3328   0.832   1.094   3.274
+  586SOL     OW 3329   0.916   0.910   2.153
+  586SOL    HW1 3330   0.979   0.948   2.085
+  586SOL    HW2 3331   0.956   0.827   2.192
+  587SOL     OW 3332   1.504   1.607   1.906
+  587SOL    HW1 3333   1.412   1.644   1.913
+  587SOL    HW2 3334   1.542   1.627   1.816
+  588SOL     OW 3335   0.372   1.288   3.352
+  588SOL    HW1 3336   0.359   1.381   3.318
+  588SOL    HW2 3337   0.288   1.236   3.339
+  589SOL     OW 3338   1.614   1.292   3.151
+  589SOL    HW1 3339   1.674   1.295   3.231
+  589SOL    HW2 3340   1.539   1.356   3.164
+  590SOL     OW 3341   1.039   1.098   2.558
+  590SOL    HW1 3342   0.969   1.051   2.612
+  590SOL    HW2 3343   1.098   1.030   2.515
+  591SOL     OW 3344   1.014   0.236   2.833
+  591SOL    HW1 3345   1.006   0.200   2.740
+  591SOL    HW2 3346   1.012   0.160   2.898
+  592SOL     OW 3347   0.590   1.487   2.353
+  592SOL    HW1 3348   0.632   1.429   2.283
+  592SOL    HW2 3349   0.546   1.566   2.309
+  593SOL     OW 3350   1.709   0.385   3.243
+  593SOL    HW1 3351   1.782   0.454   3.247
+  593SOL    HW2 3352   1.737   0.310   3.184
+  594SOL     OW 3353   0.255   1.348   2.152
+  594SOL    HW1 3354   0.159   1.349   2.125
+  594SOL    HW2 3355   0.267   1.401   2.236
+  595SOL     OW 3356   0.105   1.013   3.588
+  595SOL    HW1 3357   0.028   0.980   3.642
+  595SOL    HW2 3358   0.190   0.983   3.630
+  596SOL     OW 3359   0.672   0.203   3.351
+  596SOL    HW1 3360   0.762   0.187   3.311
+  596SOL    HW2 3361   0.680   0.208   3.450
+  597SOL     OW 3362   0.075   0.345   1.895
+  597SOL    HW1 3363  -0.017   0.317   1.866
+  597SOL    HW2 3364   0.106   0.422   1.839
+  598SOL     OW 3365   1.440   0.856   3.260
+  598SOL    HW1 3366   1.383   0.908   3.197
+  598SOL    HW2 3367   1.536   0.868   3.236
+  599SOL     OW 3368   0.072   0.166   2.180
+  599SOL    HW1 3369   0.055   0.249   2.126
+  599SOL    HW2 3370   0.162   0.129   2.158
+  600SOL     OW 3371   1.183   1.335   1.981
+  600SOL    HW1 3372   1.084   1.324   1.983
+  600SOL    HW2 3373   1.217   1.350   2.074
+  601SOL     OW 3374   0.613   0.842   3.293
+  601SOL    HW1 3375   0.669   0.923   3.276
+  601SOL    HW2 3376   0.672   0.762   3.296
+  602SOL     OW 3377   1.493   1.767   2.821
+  602SOL    HW1 3378   1.526   1.831   2.752
+  602SOL    HW2 3379   1.559   1.761   2.896
+  603SOL     OW 3380   0.716   0.565   3.570
+  603SOL    HW1 3381   0.735   0.630   3.644
+  603SOL    HW2 3382   0.776   0.485   3.579
+  604SOL     OW 3383   1.450   1.220   3.495
+  604SOL    HW1 3384   1.441   1.210   3.594
+  604SOL    HW2 3385   1.546   1.213   3.469
+  605SOL     OW 3386   0.390   1.741   3.422
+  605SOL    HW1 3387   0.299   1.782   3.420
+  605SOL    HW2 3388   0.383   1.647   3.454
+  606SOL     OW 3389   1.674   0.883   3.116
+  606SOL    HW1 3390   1.647   0.794   3.079
+  606SOL    HW2 3391   1.675   0.951   3.043
+  607SOL     OW 3392   1.225   0.325   2.311
+  607SOL    HW1 3393   1.290   0.251   2.300
+  607SOL    HW2 3394   1.245   0.375   2.395
+  608SOL     OW 3395   0.594   0.745   2.514
+  608SOL    HW1 3396   0.644   0.830   2.495
+  608SOL    HW2 3397   0.506   0.747   2.466
+  609SOL     OW 3398   1.777   0.342   3.504
+  609SOL    HW1 3399   1.760   0.373   3.410
+  609SOL    HW2 3400   1.693   0.305   3.542
+  610SOL     OW 3401   1.730   0.934   3.379
+  610SOL    HW1 3402   1.768   1.025   3.394
+  610SOL    HW2 3403   1.722   0.917   3.280
+  611SOL     OW 3404   0.859   1.374   1.878
+  611SOL    HW1 3405   0.813   1.389   1.966
+  611SOL    HW2 3406   0.903   1.459   1.848
+  612SOL     OW 3407   0.661   1.790   2.815
+  612SOL    HW1 3408   0.615   1.878   2.802
+  612SOL    HW2 3409   0.760   1.802   2.808
+  613SOL     OW 3410   0.859   0.956   2.723
+  613SOL    HW1 3411   0.913   0.887   2.771
+  613SOL    HW2 3412   0.827   1.025   2.789
+  614SOL     OW 3413   1.083   0.984   1.949
+  614SOL    HW1 3414   1.060   1.037   1.867
+  614SOL    HW2 3415   1.164   0.928   1.930
+  615SOL     OW 3416   1.861   1.569   2.713
+  615SOL    HW1 3417   1.790   1.557   2.643
+  615SOL    HW2 3418   1.862   1.490   2.773
+  616SOL     OW 3419   0.221   1.314   3.706
+  616SOL    HW1 3420   0.156   1.241   3.685
+  616SOL    HW2 3421   0.225   1.328   3.804
+  617SOL     OW 3422   0.079   1.240   2.515
+  617SOL    HW1 3423   0.078   1.193   2.603
+  617SOL    HW2 3424   0.161   1.212   2.464
+  618SOL     OW 3425   0.672   1.391   3.486
+  618SOL    HW1 3426   0.594   1.341   3.524
+  618SOL    HW2 3427   0.669   1.486   3.517
+  619SOL     OW 3428   1.824   0.192   3.089
+  619SOL    HW1 3429   1.820   0.102   3.133
+  619SOL    HW2 3430   1.827   0.181   2.990
+  620SOL     OW 3431   0.428   0.424   2.382
+  620SOL    HW1 3432   0.458   0.352   2.320
+  620SOL    HW2 3433   0.389   0.384   2.465
+  621SOL     OW 3434   1.705   1.487   2.966
+  621SOL    HW1 3435   1.612   1.462   2.939
+  621SOL    HW2 3436   1.731   1.437   3.048
+  622SOL     OW 3437   0.317   0.547   3.142
+  622SOL    HW1 3438   0.355   0.488   3.214
+  622SOL    HW2 3439   0.357   0.521   3.054
+  623SOL     OW 3440   0.812   1.586   2.549
+  623SOL    HW1 3441   0.844   1.596   2.455
+  623SOL    HW2 3442   0.733   1.524   2.551
+  624SOL     OW 3443   1.424   0.214   2.974
+  624SOL    HW1 3444   1.476   0.149   3.029
+  624SOL    HW2 3445   1.375   0.277   3.035
+  625SOL     OW 3446   1.001   0.034   3.016
+  625SOL    HW1 3447   0.938  -0.038   2.985
+  625SOL    HW2 3448   1.094  -0.002   3.016
+  626SOL     OW 3449   0.770   1.330   2.163
+  626SOL    HW1 3450   0.724   1.243   2.180
+  626SOL    HW2 3451   0.861   1.327   2.204
+  627SOL     OW 3452   0.618   1.567   3.146
+  627SOL    HW1 3453   0.613   1.649   3.203
+  627SOL    HW2 3454   0.707   1.564   3.101
+  628SOL     OW 3455   1.352   0.052   2.030
+  628SOL    HW1 3456   1.387   0.011   1.946
+  628SOL    HW2 3457   1.262   0.014   2.050
+  629SOL     OW 3458   1.300   0.453   2.553
+  629SOL    HW1 3459   1.241   0.533   2.557
+  629SOL    HW2 3460   1.315   0.418   2.646
+  630SOL     OW 3461   1.593   0.221   2.744
+  630SOL    HW1 3462   1.509   0.220   2.798
+  630SOL    HW2 3463   1.595   0.304   2.688
+  631SOL     OW 3464   0.039   1.077   2.162
+  631SOL    HW1 3465   0.138   1.066   2.153
+  631SOL    HW2 3466  -0.001   0.991   2.194
+  632SOL     OW 3467   0.875   1.646   2.199
+  632SOL    HW1 3468   0.798   1.611   2.145
+  632SOL    HW2 3469   0.843   1.717   2.261
+  633SOL     OW 3470   0.230   0.628   3.837
+  633SOL    HW1 3471   0.137   0.626   3.874
+  633SOL    HW2 3472   0.231   0.589   3.745
+  634SOL     OW 3473   0.225   0.275   4.720
+  634SOL    HW1 3474   0.260   0.258   4.812
+  634SOL    HW2 3475   0.137   0.230   4.708
+  635SOL     OW 3476   0.019   0.368   4.371
+  635SOL    HW1 3477  -0.063   0.411   4.410
+  635SOL    HW2 3478  -0.009   0.295   4.308
+  636SOL     OW 3479   0.569   1.275   4.889
+  636SOL    HW1 3480   0.476   1.268   4.852
+  636SOL    HW2 3481   0.580   1.364   4.933
+  637SOL     OW 3482   1.555   1.511   4.427
+  637SOL    HW1 3483   1.498   1.495   4.508
+  637SOL    HW2 3484   1.496   1.521   4.347
+  638SOL     OW 3485   1.135   0.703   4.441
+  638SOL    HW1 3486   1.192   0.781   4.416
+  638SOL    HW2 3487   1.075   0.729   4.517
+  639SOL     OW 3488   1.755   0.607   3.955
+  639SOL    HW1 3489   1.743   0.594   3.856
+  639SOL    HW2 3490   1.725   0.526   4.004
+  640SOL     OW 3491   0.768   1.144   4.747
+  640SOL    HW1 3492   0.690   1.161   4.807
+  640SOL    HW2 3493   0.802   1.231   4.711
+  641SOL     OW 3494   0.850   0.798   5.547
+  641SOL    HW1 3495   0.846   0.874   5.612
+  641SOL    HW2 3496   0.872   0.834   5.456
+  642SOL     OW 3497   0.685   1.012   4.389
+  642SOL    HW1 3498   0.754   0.996   4.459
+  642SOL    HW2 3499   0.612   1.069   4.427
+  643SOL     OW 3500   0.686   1.161   5.527
+  643SOL    HW1 3501   0.746   1.240   5.541
+  643SOL    HW2 3502   0.600   1.192   5.486
+  644SOL     OW 3503   0.335   1.435   4.785
+  644SOL    HW1 3504   0.257   1.404   4.732
+  644SOL    HW2 3505   0.393   1.493   4.728
+  645SOL     OW 3506   1.460   1.505   5.063
+  645SOL    HW1 3507   1.484   1.599   5.089
+  645SOL    HW2 3508   1.444   1.451   5.145
+  646SOL     OW 3509   0.438   0.392   5.223
+  646SOL    HW1 3510   0.520   0.336   5.232
+  646SOL    HW2 3511   0.357   0.334   5.227
+  647SOL     OW 3512   1.603   0.447   4.461
+  647SOL    HW1 3513   1.529   0.493   4.411
+  647SOL    HW2 3514   1.654   0.515   4.514
+  648SOL     OW 3515   0.231   1.713   4.207
+  648SOL    HW1 3516   0.265   1.790   4.261
+  648SOL    HW2 3517   0.275   1.713   4.117
+  649SOL     OW 3518   1.127   1.341   5.414
+  649SOL    HW1 3519   1.174   1.341   5.502
+  649SOL    HW2 3520   1.079   1.254   5.403
+  650SOL     OW 3521   0.230   1.434   4.262
+  650SOL    HW1 3522   0.204   1.530   4.262
+  650SOL    HW2 3523   0.159   1.380   4.307
+  651SOL     OW 3524   0.240   1.091   4.610
+  651SOL    HW1 3525   0.254   1.007   4.662
+  651SOL    HW2 3526   0.185   1.155   4.665
+  652SOL     OW 3527   0.620   1.786   5.163
+  652SOL    HW1 3528   0.528   1.769   5.198
+  652SOL    HW2 3529   0.648   1.878   5.189
+  653SOL     OW 3530   0.606   0.964   3.847
+  653SOL    HW1 3531   0.613   1.048   3.793
+  653SOL    HW2 3532   0.652   0.977   3.935
+  654SOL     OW 3533   1.594   0.114   5.204
+  654SOL    HW1 3534   1.576   0.181   5.132
+  654SOL    HW2 3535   1.591   0.160   5.293
+  655SOL     OW 3536   0.122   0.643   4.287
+  655SOL    HW1 3537   0.077   0.555   4.304
+  655SOL    HW2 3538   0.121   0.697   4.371
+  656SOL     OW 3539   1.842   1.767   4.083
+  656SOL    HW1 3540   1.896   1.738   4.163
+  656SOL    HW2 3541   1.872   1.857   4.054
+  657SOL     OW 3542   0.027   1.596   3.841
+  657SOL    HW1 3543   0.008   1.500   3.862
+  657SOL    HW2 3544  -0.006   1.654   3.916
+  658SOL     OW 3545   1.689   0.922   4.336
+  658SOL    HW1 3546   1.784   0.893   4.344
+  658SOL    HW2 3547   1.681   0.987   4.261
+  659SOL     OW 3548   1.641   1.108   4.156
+  659SOL    HW1 3549   1.727   1.110   4.104
+  659SOL    HW2 3550   1.655   1.155   4.244
+  660SOL     OW 3551   0.113   0.737   5.321
+  660SOL    HW1 3552   0.201   0.724   5.366
+  660SOL    HW2 3553   0.100   0.834   5.299
+  661SOL     OW 3554   0.613   1.365   4.450
+  661SOL    HW1 3555   0.564   1.278   4.459
+  661SOL    HW2 3556   0.590   1.408   4.363
+  662SOL     OW 3557   1.293   1.228   5.147
+  662SOL    HW1 3558   1.330   1.155   5.089
+  662SOL    HW2 3559   1.345   1.233   5.232
+  663SOL     OW 3560   0.809   0.004   4.226
+  663SOL    HW1 3561   0.849   0.095   4.217
+  663SOL    HW2 3562   0.709   0.012   4.232
+  664SOL     OW 3563   0.197   0.976   4.988
+  664SOL    HW1 3564   0.286   0.931   4.974
+  664SOL    HW2 3565   0.124   0.911   4.969
+  665SOL     OW 3566   1.525   0.999   3.914
+  665SOL    HW1 3567   1.462   0.923   3.927
+  665SOL    HW2 3568   1.573   1.017   4.000
+  666SOL     OW 3569   1.187   1.792   5.340
+  666SOL    HW1 3570   1.211   1.852   5.264
+  666SOL    HW2 3571   1.194   1.697   5.310
+  667SOL     OW 3572   0.317   0.251   5.525
+  667SOL    HW1 3573   0.388   0.322   5.531
+  667SOL    HW2 3574   0.229   0.290   5.553
+  668SOL     OW 3575   1.466   1.417   4.677
+  668SOL    HW1 3576   1.407   1.423   4.757
+  668SOL    HW2 3577   1.451   1.329   4.631
+  669SOL     OW 3578   1.667   1.714   4.296
+  669SOL    HW1 3579   1.626   1.691   4.208
+  669SOL    HW2 3580   1.649   1.640   4.361
+  670SOL     OW 3581   0.598   0.729   3.994
+  670SOL    HW1 3582   0.622   0.798   3.926
+  670SOL    HW2 3583   0.520   0.762   4.048
+  671SOL     OW 3584   1.281   0.345   4.668
+  671SOL    HW1 3585   1.195   0.295   4.655
+  671SOL    HW2 3586   1.343   0.291   4.724
+  672SOL     OW 3587   1.576   1.662   4.031
+  672SOL    HW1 3588   1.665   1.708   4.034
+  672SOL    HW2 3589   1.555   1.638   3.936
+  673SOL     OW 3590   0.807   0.605   5.189
+  673SOL    HW1 3591   0.760   0.602   5.278
+  673SOL    HW2 3592   0.756   0.550   5.123
+  674SOL     OW 3593   1.394   0.469   5.398
+  674SOL    HW1 3594   1.374   0.512   5.486
+  674SOL    HW2 3595   1.472   0.407   5.407
+  675SOL     OW 3596   0.973   0.890   5.296
+  675SOL    HW1 3597   1.019   0.806   5.267
+  675SOL    HW2 3598   0.917   0.924   5.221
+  676SOL     OW 3599   0.991   0.410   4.966
+  676SOL    HW1 3600   0.914   0.444   5.020
+  676SOL    HW2 3601   0.957   0.359   4.887
+  677SOL     OW 3602   1.041   0.701   4.153
+  677SOL    HW1 3603   1.067   0.697   4.249
+  677SOL    HW2 3604   0.956   0.650   4.139
+  678SOL     OW 3605   0.076   0.811   4.513
+  678SOL    HW1 3606   0.175   0.799   4.522
+  678SOL    HW2 3607   0.052   0.906   4.534
+  679SOL     OW 3608   0.130   1.821   5.295
+  679SOL    HW1 3609   0.120   1.806   5.394
+  679SOL    HW2 3610   0.044   1.857   5.259
+  680SOL     OW 3611   0.865   0.348   3.919
+  680SOL    HW1 3612   0.924   0.411   3.870
+  680SOL    HW2 3613   0.884   0.254   3.890
+  681SOL     OW 3614   1.719   0.585   5.555
+  681SOL    HW1 3615   1.693   0.674   5.519
+  681SOL    HW2 3616   1.717   0.517   5.482
+  682SOL     OW 3617   1.362   1.144   4.269
+  682SOL    HW1 3618   1.445   1.115   4.221
+  682SOL    HW2 3619   1.313   1.211   4.213
+  683SOL     OW 3620   0.550   0.196   4.609
+  683SOL    HW1 3621   0.545   0.191   4.709
+  683SOL    HW2 3622   0.552   0.292   4.580
+  684SOL     OW 3623   1.008   1.456   4.201
+  684SOL    HW1 3624   0.962   1.528   4.149
+  684SOL    HW2 3625   1.004   1.476   4.299
+  685SOL     OW 3626   0.351   1.801   4.577
+  685SOL    HW1 3627   0.401   1.715   4.583
+  685SOL    HW2 3628   0.416   1.878   4.574
+  686SOL     OW 3629   1.795   1.066   4.597
+  686SOL    HW1 3630   1.733   1.051   4.521
+  686SOL    HW2 3631   1.743   1.077   4.682
+  687SOL     OW 3632   1.227   1.550   5.230
+  687SOL    HW1 3633   1.233   1.473   5.294
+  687SOL    HW2 3634   1.175   1.524   5.150
+  688SOL     OW 3635   0.321   0.943   3.966
+  688SOL    HW1 3636   0.403   0.982   3.924
+  688SOL    HW2 3637   0.294   0.861   3.917
+  689SOL     OW 3638   1.458   0.735   4.452
+  689SOL    HW1 3639   1.453   0.670   4.527
+  689SOL    HW2 3640   1.538   0.794   4.465
+  690SOL     OW 3641   0.461   1.266   5.451
+  690SOL    HW1 3642   0.411   1.267   5.365
+  690SOL    HW2 3643   0.398   1.248   5.527
+  691SOL     OW 3644   1.111   1.776   3.961
+  691SOL    HW1 3645   1.051   1.714   4.011
+  691SOL    HW2 3646   1.142   1.732   3.876
+  692SOL     OW 3647   0.202   0.285   5.222
+  692SOL    HW1 3648   0.122   0.345   5.209
+  692SOL    HW2 3649   0.192   0.236   5.308
+  693SOL     OW 3650   1.632   1.377   3.805
+  693SOL    HW1 3651   1.600   1.471   3.795
+  693SOL    HW2 3652   1.556   1.314   3.793
+  694SOL     OW 3653   0.464   1.743   4.047
+  694SOL    HW1 3654   0.497   1.782   4.133
+  694SOL    HW2 3655   0.540   1.736   3.982
+  695SOL     OW 3656   1.400   0.107   4.150
+  695SOL    HW1 3657   1.376   0.070   4.060
+  695SOL    HW2 3658   1.499   0.123   4.154
+  696SOL     OW 3659   0.249   1.785   4.965
+  696SOL    HW1 3660   0.306   1.720   5.015
+  696SOL    HW2 3661   0.233   1.752   4.872
+  697SOL     OW 3662   0.940   1.698   4.628
+  697SOL    HW1 3663   1.020   1.641   4.649
+  697SOL    HW2 3664   0.891   1.658   4.551
+  698SOL     OW 3665   0.382   0.700   4.204
+  698SOL    HW1 3666   0.427   0.610   4.201
+  698SOL    HW2 3667   0.288   0.689   4.237
+  699SOL     OW 3668   1.547   0.222   5.453
+  699SOL    HW1 3669   1.542   0.259   5.545
+  699SOL    HW2 3670   1.475   0.153   5.441
+  700SOL     OW 3671   0.614   0.122   3.841
+  700SOL    HW1 3672   0.712   0.100   3.848
+  700SOL    HW2 3673   0.583   0.105   3.748
+  701SOL     OW 3674   0.781   0.264   5.473
+  701SOL    HW1 3675   0.848   0.203   5.516
+  701SOL    HW2 3676   0.708   0.283   5.538
+  702SOL     OW 3677   0.888   1.514   4.919
+  702SOL    HW1 3678   0.865   1.489   4.825
+  702SOL    HW2 3679   0.949   1.445   4.958
+  703SOL     OW 3680   1.351   0.590   5.157
+  703SOL    HW1 3681   1.379   0.547   5.242
+  703SOL    HW2 3682   1.376   0.686   5.158
+  704SOL     OW 3683   0.803   1.402   4.648
+  704SOL    HW1 3684   0.893   1.416   4.606
+  704SOL    HW2 3685   0.732   1.404   4.577
+  705SOL     OW 3686   0.922   0.503   4.623
+  705SOL    HW1 3687   0.897   0.494   4.527
+  705SOL    HW2 3688   0.970   0.421   4.654
+  706SOL     OW 3689   0.539   0.064   4.236
+  706SOL    HW1 3690   0.458   0.065   4.294
+  706SOL    HW2 3691   0.542   0.147   4.181
+  707SOL     OW 3692   1.434   1.188   3.765
+  707SOL    HW1 3693   1.466   1.112   3.822
+  707SOL    HW2 3694   1.342   1.215   3.795
+  708SOL     OW 3695   0.297   0.035   3.895
+  708SOL    HW1 3696   0.346   0.119   3.874
+  708SOL    HW2 3697   0.359  -0.030   3.940
+  709SOL     OW 3698   0.935   0.236   4.204
+  709SOL    HW1 3699   0.887   0.277   4.126
+  709SOL    HW2 3700   1.034   0.234   4.185
+  710SOL     OW 3701   1.076   0.683   5.188
+  710SOL    HW1 3702   0.996   0.622   5.191
+  710SOL    HW2 3703   1.157   0.630   5.164
+  711SOL     OW 3704   1.227   1.570   4.517
+  711SOL    HW1 3705   1.248   1.644   4.452
+  711SOL    HW2 3706   1.295   1.570   4.590
+  712SOL     OW 3707   0.459   1.152   4.465
+  712SOL    HW1 3708   0.388   1.125   4.530
+  712SOL    HW2 3709   0.433   1.124   4.372
+  713SOL     OW 3710   1.271   1.797   4.315
+  713SOL    HW1 3711   1.315   1.861   4.251
+  713SOL    HW2 3712   1.221   1.849   4.385
+  714SOL     OW 3713   1.032   0.549   3.740
+  714SOL    HW1 3714   0.991   0.631   3.701
+  714SOL    HW2 3715   1.096   0.575   3.813
+  715SOL     OW 3716   0.078   0.556   5.110
+  715SOL    HW1 3717   0.170   0.555   5.069
+  715SOL    HW2 3718   0.072   0.630   5.177
+  716SOL     OW 3719   0.561   0.222   4.871
+  716SOL    HW1 3720   0.599   0.138   4.908
+  716SOL    HW2 3721   0.473   0.241   4.915
+  717SOL     OW 3722   0.866   0.454   4.366
+  717SOL    HW1 3723   0.834   0.526   4.304
+  717SOL    HW2 3724   0.890   0.373   4.313
+  718SOL     OW 3725   1.017   0.039   4.477
+  718SOL    HW1 3726   0.945   0.044   4.408
+  718SOL    HW2 3727   0.993  -0.030   4.546
+  719SOL     OW 3728   1.429   1.173   4.591
+  719SOL    HW1 3729   1.374   1.089   4.584
+  719SOL    HW2 3730   1.455   1.202   4.499
+  720SOL     OW 3731   1.466   0.590   4.716
+  720SOL    HW1 3732   1.436   0.495   4.723
+  720SOL    HW2 3733   1.539   0.606   4.782
+  721SOL     OW 3734   1.857   0.833   4.101
+  721SOL    HW1 3735   1.899   0.769   4.165
+  721SOL    HW2 3736   1.819   0.782   4.023
+  722SOL     OW 3737   0.488   1.385   3.898
+  722SOL    HW1 3738   0.401   1.370   3.945
+  722SOL    HW2 3739   0.471   1.411   3.803
+  723SOL     OW 3740   1.664   1.280   4.381
+  723SOL    HW1 3741   1.763   1.288   4.395
+  723SOL    HW2 3742   1.619   1.364   4.412
+  724SOL     OW 3743   1.390   0.575   3.802
+  724SOL    HW1 3744   1.336   0.554   3.883
+  724SOL    HW2 3745   1.481   0.534   3.811
+  725SOL     OW 3746   0.527   0.256   4.052
+  725SOL    HW1 3747   0.554   0.197   3.977
+  725SOL    HW2 3748   0.527   0.351   4.021
+  726SOL     OW 3749   1.754   1.223   5.312
+  726SOL    HW1 3750   1.845   1.184   5.299
+  726SOL    HW2 3751   1.762   1.319   5.336
+  727SOL     OW 3752   1.064   1.347   5.064
+  727SOL    HW1 3753   0.984   1.324   5.119
+  727SOL    HW2 3754   1.147   1.321   5.113
+  728SOL     OW 3755   1.592   1.629   5.349
+  728SOL    HW1 3756   1.619   1.663   5.259
+  728SOL    HW2 3757   1.671   1.591   5.395
+  729SOL     OW 3758   1.111   1.195   4.824
+  729SOL    HW1 3759   1.071   1.239   4.905
+  729SOL    HW2 3760   1.070   1.232   4.741
+  730SOL     OW 3761   1.638   1.099   4.803
+  730SOL    HW1 3762   1.643   1.180   4.862
+  730SOL    HW2 3763   1.552   1.101   4.752
+  731SOL     OW 3764   0.915   0.089   5.126
+  731SOL    HW1 3765   0.940   0.069   5.031
+  731SOL    HW2 3766   0.987   0.145   5.168
+  732SOL     OW 3767   0.980   1.116   5.443
+  732SOL    HW1 3768   0.881   1.122   5.453
+  732SOL    HW2 3769   1.003   1.036   5.387
+  733SOL     OW 3770   0.705   1.050   4.092
+  733SOL    HW1 3771   0.691   1.057   4.191
+  733SOL    HW2 3772   0.789   0.999   4.074
+  734SOL     OW 3773   0.410   0.813   4.975
+  734SOL    HW1 3774   0.496   0.825   5.025
+  734SOL    HW2 3775   0.368   0.726   5.002
+  735SOL     OW 3776   1.274   0.386   4.986
+  735SOL    HW1 3777   1.295   0.460   5.050
+  735SOL    HW2 3778   1.185   0.403   4.943
+  736SOL     OW 3779   0.064   1.564   5.055
+  736SOL    HW1 3780   0.018   1.646   5.021
+  736SOL    HW2 3781   0.162   1.583   5.064
+  737SOL     OW 3782   0.367   1.100   4.225
+  737SOL    HW1 3783   0.360   1.183   4.169
+  737SOL    HW2 3784   0.371   1.020   4.165
+  738SOL     OW 3785   0.566   0.537   4.589
+  738SOL    HW1 3786   0.578   0.603   4.515
+  738SOL    HW2 3787   0.612   0.571   4.672
+  739SOL     OW 3788   1.252   1.348   4.112
+  739SOL    HW1 3789   1.302   1.425   4.152
+  739SOL    HW2 3790   1.157   1.350   4.144
+  740SOL     OW 3791   1.272   1.445   4.866
+  740SOL    HW1 3792   1.319   1.458   4.953
+  740SOL    HW2 3793   1.206   1.371   4.875
+  741SOL     OW 3794   1.582   0.639   4.196
+  741SOL    HW1 3795   1.551   0.700   4.269
+  741SOL    HW2 3796   1.632   0.691   4.127
+  742SOL     OW 3797   0.354   1.510   5.053
+  742SOL    HW1 3798   0.333   1.466   4.966
+  742SOL    HW2 3799   0.451   1.536   5.056
+  743SOL     OW 3800   0.402   0.751   5.322
+  743SOL    HW1 3801   0.470   0.806   5.275
+  743SOL    HW2 3802   0.442   0.663   5.349
+  744SOL     OW 3803   1.587   0.779   5.394
+  744SOL    HW1 3804   1.495   0.817   5.389
+  744SOL    HW2 3805   1.647   0.826   5.329
+  745SOL     OW 3806   1.013   0.105   5.494
+  745SOL    HW1 3807   1.019   0.190   5.442
+  745SOL    HW2 3808   1.045   0.029   5.437
+  746SOL     OW 3809   0.504   0.050   5.464
+  746SOL    HW1 3810   0.462  -0.007   5.394
+  746SOL    HW2 3811   0.438   0.119   5.496
+  747SOL     OW 3812   0.573   0.870   4.753
+  747SOL    HW1 3813   0.617   0.959   4.744
+  747SOL    HW2 3814   0.510   0.870   4.830
+  748SOL     OW 3815   1.360   0.862   4.769
+  748SOL    HW1 3816   1.285   0.862   4.703
+  748SOL    HW2 3817   1.397   0.770   4.778
+  749SOL     OW 3818   1.209   0.525   3.999
+  749SOL    HW1 3819   1.222   0.441   4.053
+  749SOL    HW2 3820   1.180   0.599   4.059
+  750SOL     OW 3821   0.307   0.213   4.955
+  750SOL    HW1 3822   0.284   0.250   5.045
+  750SOL    HW2 3823   0.277   0.118   4.949
+  751SOL     OW 3824   0.037   1.310   5.006
+  751SOL    HW1 3825   0.090   1.261   5.074
+  751SOL    HW2 3826   0.059   1.408   5.011
+  752SOL     OW 3827   0.732   0.634   4.788
+  752SOL    HW1 3828   0.791   0.608   4.712
+  752SOL    HW2 3829   0.704   0.730   4.777
+  753SOL     OW 3830   1.728   0.935   5.578
+  753SOL    HW1 3831   1.682   0.928   5.489
+  753SOL    HW2 3832   1.666   0.979   5.644
+  754SOL     OW 3833   0.307   0.063   4.342
+  754SOL    HW1 3834   0.296   0.157   4.375
+  754SOL    HW2 3835   0.302   0.000   4.419
+  755SOL     OW 3836   1.622   0.367   4.098
+  755SOL    HW1 3837   1.624   0.291   4.162
+  755SOL    HW2 3838   1.574   0.444   4.138
+  756SOL     OW 3839   1.023   0.766   4.690
+  756SOL    HW1 3840   1.038   0.787   4.786
+  756SOL    HW2 3841   0.993   0.671   4.681
+  757SOL     OW 3842   0.980   1.573   5.424
+  757SOL    HW1 3843   0.960   1.617   5.336
+  757SOL    HW2 3844   1.019   1.482   5.408
+  758SOL     OW 3845   1.859   1.518   5.329
+  758SOL    HW1 3846   1.873   1.545   5.234
+  758SOL    HW2 3847   1.942   1.540   5.382
+  759SOL     OW 3848   0.350   0.898   5.528
+  759SOL    HW1 3849   0.426   0.942   5.576
+  759SOL    HW2 3850   0.385   0.851   5.446
+  760SOL     OW 3851   1.540   0.274   3.849
+  760SOL    HW1 3852   1.479   0.199   3.872
+  760SOL    HW2 3853   1.562   0.326   3.932
+  761SOL     OW 3854   1.303   0.838   3.766
+  761SOL    HW1 3855   1.337   0.745   3.781
+  761SOL    HW2 3856   1.321   0.865   3.671
+  762SOL     OW 3857   1.068   1.333   4.573
+  762SOL    HW1 3858   1.075   1.249   4.518
+  762SOL    HW2 3859   1.130   1.402   4.537
+  763SOL     OW 3860   0.319   0.810   4.673
+  763SOL    HW1 3861   0.412   0.846   4.678
+  763SOL    HW2 3862   0.313   0.725   4.725
+  764SOL     OW 3863   0.339   0.509   4.730
+  764SOL    HW1 3864   0.287   0.426   4.713
+  764SOL    HW2 3865   0.416   0.514   4.666
+  765SOL     OW 3866   1.138   0.380   5.402
+  765SOL    HW1 3867   1.093   0.443   5.466
+  765SOL    HW2 3868   1.231   0.411   5.385
+  766SOL     OW 3869   1.160   0.207   5.201
+  766SOL    HW1 3870   1.160   0.271   5.278
+  766SOL    HW2 3871   1.188   0.255   5.118
+  767SOL     OW 3872   0.008   1.326   3.924
+  767SOL    HW1 3873  -0.085   1.347   3.893
+  767SOL    HW2 3874   0.018   1.227   3.937
+  768SOL     OW 3875   0.088   1.801   4.651
+  768SOL    HW1 3876   0.046   1.715   4.624
+  768SOL    HW2 3877   0.182   1.804   4.617
+  769SOL     OW 3878   0.504   1.568   4.634
+  769SOL    HW1 3879   0.570   1.642   4.643
+  769SOL    HW2 3880   0.548   1.489   4.592
+  770SOL     OW 3881   1.002   0.796   4.962
+  770SOL    HW1 3882   1.043   0.764   5.048
+  770SOL    HW2 3883   0.906   0.769   4.959
+  771SOL     OW 3884   0.040   0.544   4.838
+  771SOL    HW1 3885   0.125   0.511   4.797
+  771SOL    HW2 3886   0.053   0.559   4.936
+  772SOL     OW 3887   0.189   0.520   5.446
+  772SOL    HW1 3888   0.248   0.480   5.376
+  772SOL    HW2 3889   0.131   0.591   5.405
+  773SOL     OW 3890   1.369   0.950   5.384
+  773SOL    HW1 3891   1.408   1.039   5.404
+  773SOL    HW2 3892   1.379   0.930   5.287
+  774SOL     OW 3893   0.815   0.572   4.049
+  774SOL    HW1 3894   0.822   0.483   4.003
+  774SOL    HW2 3895   0.721   0.606   4.041
+  775SOL     OW 3896   1.657   0.604   4.930
+  775SOL    HW1 3897   1.619   0.535   4.992
+  775SOL    HW2 3898   1.739   0.568   4.886
+  776SOL     OW 3899   0.252   1.564   5.468
+  776SOL    HW1 3900   0.222   1.621   5.544
+  776SOL    HW2 3901   0.245   1.467   5.494
+  777SOL     OW 3902   0.671   0.464   4.993
+  777SOL    HW1 3903   0.637   0.375   4.963
+  777SOL    HW2 3904   0.697   0.518   4.913
+  778SOL     OW 3905   0.930   1.678   5.189
+  778SOL    HW1 3906   0.906   1.660   5.094
+  778SOL    HW2 3907   0.960   1.772   5.199
+  779SOL     OW 3908   0.473   0.500   3.915
+  779SOL    HW1 3909   0.534   0.580   3.919
+  779SOL    HW2 3910   0.378   0.531   3.922
+  780SOL     OW 3911   0.159   1.137   5.190
+  780SOL    HW1 3912   0.181   1.076   5.266
+  780SOL    HW2 3913   0.169   1.088   5.104
+  781SOL     OW 3914   1.347   1.059   4.958
+  781SOL    HW1 3915   1.371   0.996   4.884
+  781SOL    HW2 3916   1.257   1.099   4.940
+  782SOL     OW 3917   1.302   0.855   4.033
+  782SOL    HW1 3918   1.216   0.824   4.075
+  782SOL    HW2 3919   1.298   0.841   3.934
+  783SOL     OW 3920   1.759   1.747   4.878
+  783SOL    HW1 3921   1.820   1.777   4.805
+  783SOL    HW2 3922   1.721   1.658   4.856
+  784SOL     OW 3923   1.252   1.731   4.852
+  784SOL    HW1 3924   1.336   1.736   4.798
+  784SOL    HW2 3925   1.229   1.635   4.870
+  785SOL     OW 3926   0.083   1.258   4.746
+  785SOL    HW1 3927   0.078   1.257   4.846
+  785SOL    HW2 3928   0.000   1.217   4.708
+  786SOL     OW 3929   0.688   1.662   5.440
+  786SOL    HW1 3930   0.632   1.743   5.449
+  786SOL    HW2 3931   0.740   1.666   5.354
+  787SOL     OW 3932   1.726   0.135   4.247
+  787SOL    HW1 3933   1.799   0.118   4.180
+  787SOL    HW2 3934   1.695   0.048   4.285
+  788SOL     OW 3935   1.388   1.573   4.201
+  788SOL    HW1 3936   1.455   1.585   4.127
+  788SOL    HW2 3937   1.348   1.662   4.224
+  789SOL     OW 3938   0.130   1.794   5.575
+  789SOL    HW1 3939   0.089   1.720   5.628
+  789SOL    HW2 3940   0.194   1.845   5.633
+  790SOL     OW 3941   1.280   0.927   4.396
+  790SOL    HW1 3942   1.340   0.846   4.398
+  790SOL    HW2 3943   1.320   0.996   4.336
+  791SOL     OW 3944   0.830   1.273   5.146
+  791SOL    HW1 3945   0.825   1.306   5.241
+  791SOL    HW2 3946   0.744   1.292   5.100
+  792SOL     OW 3947   0.672   1.616   3.878
+  792SOL    HW1 3948   0.681   1.626   3.779
+  792SOL    HW2 3949   0.632   1.527   3.899
+  793SOL     OW 3950   1.650   1.720   5.118
+  793SOL    HW1 3951   1.703   1.730   5.034
+  793SOL    HW2 3952   1.623   1.810   5.152
+  794SOL     OW 3953   1.841   0.175   4.687
+  794SOL    HW1 3954   1.880   0.090   4.651
+  794SOL    HW2 3955   1.743   0.177   4.668
+  795SOL     OW 3956   0.263   0.326   4.444
+  795SOL    HW1 3957   0.184   0.377   4.410
+  795SOL    HW2 3958   0.254   0.311   4.542
+  796SOL     OW 3959   1.194   1.612   3.755
+  796SOL    HW1 3960   1.200   1.519   3.792
+  796SOL    HW2 3961   1.135   1.612   3.675
+  797SOL     OW 3962   0.822   1.002   5.096
+  797SOL    HW1 3963   0.862   1.001   5.004
+  797SOL    HW2 3964   0.832   1.094   5.136
+  798SOL     OW 3965   0.916   0.910   4.015
+  798SOL    HW1 3966   0.979   0.948   3.947
+  798SOL    HW2 3967   0.956   0.827   4.054
+  799SOL     OW 3968   1.504   1.607   3.768
+  799SOL    HW1 3969   1.412   1.644   3.775
+  799SOL    HW2 3970   1.542   1.627   3.678
+  800SOL     OW 3971   0.372   1.288   5.214
+  800SOL    HW1 3972   0.359   1.381   5.180
+  800SOL    HW2 3973   0.288   1.236   5.201
+  801SOL     OW 3974   1.614   1.292   5.013
+  801SOL    HW1 3975   1.674   1.295   5.093
+  801SOL    HW2 3976   1.539   1.356   5.026
+  802SOL     OW 3977   1.039   1.098   4.420
+  802SOL    HW1 3978   0.969   1.051   4.474
+  802SOL    HW2 3979   1.098   1.030   4.377
+  803SOL     OW 3980   1.014   0.236   4.695
+  803SOL    HW1 3981   1.006   0.200   4.602
+  803SOL    HW2 3982   1.012   0.160   4.760
+  804SOL     OW 3983   0.590   1.487   4.215
+  804SOL    HW1 3984   0.632   1.429   4.145
+  804SOL    HW2 3985   0.546   1.566   4.171
+  805SOL     OW 3986   1.709   0.385   5.105
+  805SOL    HW1 3987   1.782   0.454   5.109
+  805SOL    HW2 3988   1.737   0.310   5.046
+  806SOL     OW 3989   0.255   1.348   4.014
+  806SOL    HW1 3990   0.159   1.349   3.987
+  806SOL    HW2 3991   0.267   1.401   4.098
+  807SOL     OW 3992   0.105   1.013   5.450
+  807SOL    HW1 3993   0.028   0.980   5.504
+  807SOL    HW2 3994   0.190   0.983   5.492
+  808SOL     OW 3995   0.672   0.203   5.213
+  808SOL    HW1 3996   0.762   0.187   5.173
+  808SOL    HW2 3997   0.680   0.208   5.312
+  809SOL     OW 3998   0.075   0.345   3.757
+  809SOL    HW1 3999  -0.017   0.317   3.728
+  809SOL    HW2 4000   0.106   0.422   3.701
+  810SOL     OW 4001   1.440   0.856   5.122
+  810SOL    HW1 4002   1.383   0.908   5.059
+  810SOL    HW2 4003   1.536   0.868   5.098
+  811SOL     OW 4004   0.072   0.166   4.042
+  811SOL    HW1 4005   0.055   0.249   3.988
+  811SOL    HW2 4006   0.162   0.129   4.020
+  812SOL     OW 4007   1.183   1.335   3.843
+  812SOL    HW1 4008   1.084   1.324   3.845
+  812SOL    HW2 4009   1.217   1.350   3.936
+  813SOL     OW 4010   0.613   0.842   5.155
+  813SOL    HW1 4011   0.669   0.923   5.138
+  813SOL    HW2 4012   0.672   0.762   5.158
+  814SOL     OW 4013   1.493   1.767   4.683
+  814SOL    HW1 4014   1.526   1.831   4.614
+  814SOL    HW2 4015   1.559   1.761   4.758
+  815SOL     OW 4016   0.716   0.565   5.432
+  815SOL    HW1 4017   0.735   0.630   5.506
+  815SOL    HW2 4018   0.776   0.485   5.441
+  816SOL     OW 4019   1.450   1.220   5.357
+  816SOL    HW1 4020   1.441   1.210   5.456
+  816SOL    HW2 4021   1.546   1.213   5.331
+  817SOL     OW 4022   0.390   1.741   5.284
+  817SOL    HW1 4023   0.299   1.782   5.282
+  817SOL    HW2 4024   0.383   1.647   5.316
+  818SOL     OW 4025   1.674   0.883   4.978
+  818SOL    HW1 4026   1.647   0.794   4.941
+  818SOL    HW2 4027   1.675   0.951   4.905
+  819SOL     OW 4028   1.225   0.325   4.173
+  819SOL    HW1 4029   1.290   0.251   4.162
+  819SOL    HW2 4030   1.245   0.375   4.257
+  820SOL     OW 4031   0.594   0.745   4.376
+  820SOL    HW1 4032   0.644   0.830   4.357
+  820SOL    HW2 4033   0.506   0.747   4.328
+  821SOL     OW 4034   1.777   0.342   5.366
+  821SOL    HW1 4035   1.760   0.373   5.272
+  821SOL    HW2 4036   1.693   0.305   5.404
+  822SOL     OW 4037   1.730   0.934   5.241
+  822SOL    HW1 4038   1.768   1.025   5.256
+  822SOL    HW2 4039   1.722   0.917   5.142
+  823SOL     OW 4040   0.859   1.374   3.740
+  823SOL    HW1 4041   0.813   1.389   3.828
+  823SOL    HW2 4042   0.903   1.459   3.710
+  824SOL     OW 4043   0.661   1.790   4.677
+  824SOL    HW1 4044   0.615   1.878   4.664
+  824SOL    HW2 4045   0.760   1.802   4.670
+  825SOL     OW 4046   0.859   0.956   4.585
+  825SOL    HW1 4047   0.913   0.887   4.633
+  825SOL    HW2 4048   0.827   1.025   4.651
+  826SOL     OW 4049   1.083   0.984   3.811
+  826SOL    HW1 4050   1.060   1.037   3.729
+  826SOL    HW2 4051   1.164   0.928   3.792
+  827SOL     OW 4052   1.861   1.569   4.575
+  827SOL    HW1 4053   1.790   1.557   4.505
+  827SOL    HW2 4054   1.862   1.490   4.635
+  828SOL     OW 4055   0.221   1.314   5.568
+  828SOL    HW1 4056   0.156   1.241   5.547
+  828SOL    HW2 4057   0.225   1.328   5.666
+  829SOL     OW 4058   0.079   1.240   4.377
+  829SOL    HW1 4059   0.078   1.193   4.465
+  829SOL    HW2 4060   0.161   1.212   4.326
+  830SOL     OW 4061   0.672   1.391   5.348
+  830SOL    HW1 4062   0.594   1.341   5.386
+  830SOL    HW2 4063   0.669   1.486   5.379
+  831SOL     OW 4064   1.824   0.192   4.951
+  831SOL    HW1 4065   1.820   0.102   4.995
+  831SOL    HW2 4066   1.827   0.181   4.852
+  832SOL     OW 4067   0.428   0.424   4.244
+  832SOL    HW1 4068   0.458   0.352   4.182
+  832SOL    HW2 4069   0.389   0.384   4.327
+  833SOL     OW 4070   1.705   1.487   4.828
+  833SOL    HW1 4071   1.612   1.462   4.801
+  833SOL    HW2 4072   1.731   1.437   4.910
+  834SOL     OW 4073   0.317   0.547   5.004
+  834SOL    HW1 4074   0.355   0.488   5.076
+  834SOL    HW2 4075   0.357   0.521   4.916
+  835SOL     OW 4076   0.812   1.586   4.411
+  835SOL    HW1 4077   0.844   1.596   4.317
+  835SOL    HW2 4078   0.733   1.524   4.413
+  836SOL     OW 4079   1.424   0.214   4.836
+  836SOL    HW1 4080   1.476   0.149   4.891
+  836SOL    HW2 4081   1.375   0.277   4.897
+  837SOL     OW 4082   1.001   0.034   4.878
+  837SOL    HW1 4083   0.938  -0.038   4.847
+  837SOL    HW2 4084   1.094  -0.002   4.878
+  838SOL     OW 4085   0.770   1.330   4.025
+  838SOL    HW1 4086   0.724   1.243   4.042
+  838SOL    HW2 4087   0.861   1.327   4.066
+  839SOL     OW 4088   0.618   1.567   5.008
+  839SOL    HW1 4089   0.613   1.649   5.065
+  839SOL    HW2 4090   0.707   1.564   4.963
+  840SOL     OW 4091   1.352   0.052   3.892
+  840SOL    HW1 4092   1.387   0.011   3.808
+  840SOL    HW2 4093   1.262   0.014   3.912
+  841SOL     OW 4094   1.300   0.453   4.415
+  841SOL    HW1 4095   1.241   0.533   4.419
+  841SOL    HW2 4096   1.315   0.418   4.508
+  842SOL     OW 4097   1.593   0.221   4.606
+  842SOL    HW1 4098   1.509   0.220   4.660
+  842SOL    HW2 4099   1.595   0.304   4.550
+  843SOL     OW 4100   0.039   1.077   4.024
+  843SOL    HW1 4101   0.138   1.066   4.015
+  843SOL    HW2 4102  -0.001   0.991   4.056
+  844SOL     OW 4103   0.875   1.646   4.061
+  844SOL    HW1 4104   0.798   1.611   4.007
+  844SOL    HW2 4105   0.843   1.717   4.123
+  845SOL     OW 4106   0.230   0.628   5.699
+  845SOL    HW1 4107   0.137   0.626   5.736
+  845SOL    HW2 4108   0.231   0.589   5.607
+  846SOL     OW 4109   0.225   0.275   6.582
+  846SOL    HW1 4110   0.260   0.258   6.674
+  846SOL    HW2 4111   0.137   0.230   6.570
+  847SOL     OW 4112   0.019   0.368   6.233
+  847SOL    HW1 4113  -0.063   0.411   6.272
+  847SOL    HW2 4114  -0.009   0.295   6.170
+  848SOL     OW 4115   0.569   1.275   6.751
+  848SOL    HW1 4116   0.476   1.268   6.714
+  848SOL    HW2 4117   0.580   1.364   6.795
+  849SOL     OW 4118   1.555   1.511   6.289
+  849SOL    HW1 4119   1.498   1.495   6.370
+  849SOL    HW2 4120   1.496   1.521   6.209
+  850SOL     OW 4121   1.135   0.703   6.303
+  850SOL    HW1 4122   1.192   0.781   6.278
+  850SOL    HW2 4123   1.075   0.729   6.379
+  851SOL     OW 4124   1.755   0.607   5.817
+  851SOL    HW1 4125   1.743   0.594   5.718
+  851SOL    HW2 4126   1.725   0.526   5.866
+  852SOL     OW 4127   0.768   1.144   6.609
+  852SOL    HW1 4128   0.690   1.161   6.669
+  852SOL    HW2 4129   0.802   1.231   6.573
+  853SOL     OW 4130   0.850   0.798   7.409
+  853SOL    HW1 4131   0.846   0.874   7.474
+  853SOL    HW2 4132   0.872   0.834   7.318
+  854SOL     OW 4133   0.685   1.012   6.251
+  854SOL    HW1 4134   0.754   0.996   6.321
+  854SOL    HW2 4135   0.612   1.069   6.289
+  855SOL     OW 4136   0.335   1.435   6.647
+  855SOL    HW1 4137   0.257   1.404   6.594
+  855SOL    HW2 4138   0.393   1.493   6.590
+  856SOL     OW 4139   1.460   1.505   6.925
+  856SOL    HW1 4140   1.484   1.599   6.951
+  856SOL    HW2 4141   1.444   1.451   7.007
+  857SOL     OW 4142   0.438   0.392   7.085
+  857SOL    HW1 4143   0.520   0.336   7.094
+  857SOL    HW2 4144   0.357   0.334   7.089
+  858SOL     OW 4145   1.603   0.447   6.323
+  858SOL    HW1 4146   1.529   0.493   6.273
+  858SOL    HW2 4147   1.654   0.515   6.376
+  859SOL     OW 4148   0.231   1.713   6.069
+  859SOL    HW1 4149   0.265   1.790   6.123
+  859SOL    HW2 4150   0.275   1.713   5.979
+  860SOL     OW 4151   0.230   1.434   6.124
+  860SOL    HW1 4152   0.204   1.530   6.124
+  860SOL    HW2 4153   0.159   1.380   6.169
+  861SOL     OW 4154   0.240   1.091   6.472
+  861SOL    HW1 4155   0.254   1.007   6.524
+  861SOL    HW2 4156   0.185   1.155   6.527
+  862SOL     OW 4157   0.620   1.786   7.025
+  862SOL    HW1 4158   0.528   1.769   7.060
+  862SOL    HW2 4159   0.648   1.878   7.051
+  863SOL     OW 4160   0.606   0.964   5.709
+  863SOL    HW1 4161   0.613   1.048   5.655
+  863SOL    HW2 4162   0.652   0.977   5.797
+  864SOL     OW 4163   1.594   0.114   7.066
+  864SOL    HW1 4164   1.576   0.181   6.994
+  864SOL    HW2 4165   1.591   0.160   7.155
+  865SOL     OW 4166   0.122   0.643   6.149
+  865SOL    HW1 4167   0.077   0.555   6.166
+  865SOL    HW2 4168   0.121   0.697   6.233
+  866SOL     OW 4169   1.842   1.767   5.945
+  866SOL    HW1 4170   1.896   1.738   6.025
+  866SOL    HW2 4171   1.872   1.857   5.916
+  867SOL     OW 4172   0.027   1.596   5.703
+  867SOL    HW1 4173   0.008   1.500   5.724
+  867SOL    HW2 4174  -0.006   1.654   5.778
+  868SOL     OW 4175   1.689   0.922   6.198
+  868SOL    HW1 4176   1.784   0.893   6.206
+  868SOL    HW2 4177   1.681   0.987   6.123
+  869SOL     OW 4178   1.641   1.108   6.018
+  869SOL    HW1 4179   1.727   1.110   5.966
+  869SOL    HW2 4180   1.655   1.155   6.106
+  870SOL     OW 4181   0.113   0.737   7.183
+  870SOL    HW1 4182   0.201   0.724   7.228
+  870SOL    HW2 4183   0.100   0.834   7.161
+  871SOL     OW 4184   0.613   1.365   6.312
+  871SOL    HW1 4185   0.564   1.278   6.321
+  871SOL    HW2 4186   0.590   1.408   6.225
+  872SOL     OW 4187   1.293   1.228   7.009
+  872SOL    HW1 4188   1.330   1.155   6.951
+  872SOL    HW2 4189   1.345   1.233   7.094
+  873SOL     OW 4190   0.809   0.004   6.088
+  873SOL    HW1 4191   0.849   0.095   6.079
+  873SOL    HW2 4192   0.709   0.012   6.094
+  874SOL     OW 4193   0.197   0.976   6.850
+  874SOL    HW1 4194   0.286   0.931   6.836
+  874SOL    HW2 4195   0.124   0.911   6.831
+  875SOL     OW 4196   1.525   0.999   5.776
+  875SOL    HW1 4197   1.462   0.923   5.789
+  875SOL    HW2 4198   1.573   1.017   5.862
+  876SOL     OW 4199   1.187   1.792   7.202
+  876SOL    HW1 4200   1.211   1.852   7.126
+  876SOL    HW2 4201   1.194   1.697   7.172
+  877SOL     OW 4202   0.317   0.251   7.387
+  877SOL    HW1 4203   0.388   0.322   7.393
+  877SOL    HW2 4204   0.229   0.290   7.415
+  878SOL     OW 4205   1.466   1.417   6.539
+  878SOL    HW1 4206   1.407   1.423   6.619
+  878SOL    HW2 4207   1.451   1.329   6.493
+  879SOL     OW 4208   1.667   1.714   6.158
+  879SOL    HW1 4209   1.626   1.691   6.070
+  879SOL    HW2 4210   1.649   1.640   6.223
+  880SOL     OW 4211   0.598   0.729   5.856
+  880SOL    HW1 4212   0.622   0.798   5.788
+  880SOL    HW2 4213   0.520   0.762   5.910
+  881SOL     OW 4214   1.281   0.345   6.530
+  881SOL    HW1 4215   1.195   0.295   6.517
+  881SOL    HW2 4216   1.343   0.291   6.586
+  882SOL     OW 4217   1.576   1.662   5.893
+  882SOL    HW1 4218   1.665   1.708   5.896
+  882SOL    HW2 4219   1.555   1.638   5.798
+  883SOL     OW 4220   0.807   0.605   7.051
+  883SOL    HW1 4221   0.760   0.602   7.140
+  883SOL    HW2 4222   0.756   0.550   6.985
+  884SOL     OW 4223   0.973   0.890   7.158
+  884SOL    HW1 4224   1.019   0.806   7.129
+  884SOL    HW2 4225   0.917   0.924   7.083
+  885SOL     OW 4226   0.991   0.410   6.828
+  885SOL    HW1 4227   0.914   0.444   6.882
+  885SOL    HW2 4228   0.957   0.359   6.749
+  886SOL     OW 4229   1.041   0.701   6.015
+  886SOL    HW1 4230   1.067   0.697   6.111
+  886SOL    HW2 4231   0.956   0.650   6.001
+  887SOL     OW 4232   0.076   0.811   6.375
+  887SOL    HW1 4233   0.175   0.799   6.384
+  887SOL    HW2 4234   0.052   0.906   6.396
+  888SOL     OW 4235   0.130   1.821   7.157
+  888SOL    HW1 4236   0.120   1.806   7.256
+  888SOL    HW2 4237   0.044   1.857   7.121
+  889SOL     OW 4238   0.865   0.348   5.781
+  889SOL    HW1 4239   0.924   0.411   5.732
+  889SOL    HW2 4240   0.884   0.254   5.752
+  890SOL     OW 4241   1.362   1.144   6.131
+  890SOL    HW1 4242   1.445   1.115   6.083
+  890SOL    HW2 4243   1.313   1.211   6.075
+  891SOL     OW 4244   0.550   0.196   6.471
+  891SOL    HW1 4245   0.545   0.191   6.571
+  891SOL    HW2 4246   0.552   0.292   6.442
+  892SOL     OW 4247   1.008   1.456   6.063
+  892SOL    HW1 4248   0.962   1.528   6.011
+  892SOL    HW2 4249   1.004   1.476   6.161
+  893SOL     OW 4250   0.351   1.801   6.439
+  893SOL    HW1 4251   0.401   1.715   6.445
+  893SOL    HW2 4252   0.416   1.878   6.436
+  894SOL     OW 4253   1.795   1.066   6.459
+  894SOL    HW1 4254   1.733   1.051   6.383
+  894SOL    HW2 4255   1.743   1.077   6.544
+  895SOL     OW 4256   1.227   1.550   7.092
+  895SOL    HW1 4257   1.233   1.473   7.156
+  895SOL    HW2 4258   1.175   1.524   7.012
+  896SOL     OW 4259   0.321   0.943   5.828
+  896SOL    HW1 4260   0.403   0.982   5.786
+  896SOL    HW2 4261   0.294   0.861   5.779
+  897SOL     OW 4262   1.458   0.735   6.314
+  897SOL    HW1 4263   1.453   0.670   6.389
+  897SOL    HW2 4264   1.538   0.794   6.327
+  898SOL     OW 4265   0.461   1.266   7.313
+  898SOL    HW1 4266   0.411   1.267   7.227
+  898SOL    HW2 4267   0.398   1.248   7.389
+  899SOL     OW 4268   1.111   1.776   5.823
+  899SOL    HW1 4269   1.051   1.714   5.873
+  899SOL    HW2 4270   1.142   1.732   5.738
+  900SOL     OW 4271   0.202   0.285   7.084
+  900SOL    HW1 4272   0.122   0.345   7.071
+  900SOL    HW2 4273   0.192   0.236   7.170
+  901SOL     OW 4274   1.632   1.377   5.667
+  901SOL    HW1 4275   1.600   1.471   5.657
+  901SOL    HW2 4276   1.556   1.314   5.655
+  902SOL     OW 4277   0.464   1.743   5.909
+  902SOL    HW1 4278   0.497   1.782   5.995
+  902SOL    HW2 4279   0.540   1.736   5.844
+  903SOL     OW 4280   1.400   0.107   6.012
+  903SOL    HW1 4281   1.376   0.070   5.922
+  903SOL    HW2 4282   1.499   0.123   6.016
+  904SOL     OW 4283   0.249   1.785   6.827
+  904SOL    HW1 4284   0.306   1.720   6.877
+  904SOL    HW2 4285   0.233   1.752   6.734
+  905SOL     OW 4286   0.940   1.698   6.490
+  905SOL    HW1 4287   1.020   1.641   6.511
+  905SOL    HW2 4288   0.891   1.658   6.413
+  906SOL     OW 4289   0.382   0.700   6.066
+  906SOL    HW1 4290   0.427   0.610   6.063
+  906SOL    HW2 4291   0.288   0.689   6.099
+  907SOL     OW 4292   0.614   0.122   5.703
+  907SOL    HW1 4293   0.712   0.100   5.710
+  907SOL    HW2 4294   0.583   0.105   5.610
+  908SOL     OW 4295   0.781   0.264   7.335
+  908SOL    HW1 4296   0.848   0.203   7.378
+  908SOL    HW2 4297   0.708   0.283   7.400
+  909SOL     OW 4298   0.888   1.514   6.781
+  909SOL    HW1 4299   0.865   1.489   6.687
+  909SOL    HW2 4300   0.949   1.445   6.820
+  910SOL     OW 4301   1.351   0.590   7.019
+  910SOL    HW1 4302   1.379   0.547   7.104
+  910SOL    HW2 4303   1.376   0.686   7.020
+  911SOL     OW 4304   0.803   1.402   6.510
+  911SOL    HW1 4305   0.893   1.416   6.468
+  911SOL    HW2 4306   0.732   1.404   6.439
+  912SOL     OW 4307   0.922   0.503   6.485
+  912SOL    HW1 4308   0.897   0.494   6.389
+  912SOL    HW2 4309   0.970   0.421   6.516
+  913SOL     OW 4310   0.539   0.064   6.098
+  913SOL    HW1 4311   0.458   0.065   6.156
+  913SOL    HW2 4312   0.542   0.147   6.043
+  914SOL     OW 4313   1.434   1.188   5.627
+  914SOL    HW1 4314   1.466   1.112   5.684
+  914SOL    HW2 4315   1.342   1.215   5.657
+  915SOL     OW 4316   0.297   0.035   5.757
+  915SOL    HW1 4317   0.346   0.119   5.736
+  915SOL    HW2 4318   0.359  -0.030   5.802
+  916SOL     OW 4319   0.935   0.236   6.066
+  916SOL    HW1 4320   0.887   0.277   5.988
+  916SOL    HW2 4321   1.034   0.234   6.047
+  917SOL     OW 4322   1.076   0.683   7.050
+  917SOL    HW1 4323   0.996   0.622   7.053
+  917SOL    HW2 4324   1.157   0.630   7.026
+  918SOL     OW 4325   1.227   1.570   6.379
+  918SOL    HW1 4326   1.248   1.644   6.314
+  918SOL    HW2 4327   1.295   1.570   6.452
+  919SOL     OW 4328   0.459   1.152   6.327
+  919SOL    HW1 4329   0.388   1.125   6.392
+  919SOL    HW2 4330   0.433   1.124   6.234
+  920SOL     OW 4331   1.271   1.797   6.177
+  920SOL    HW1 4332   1.315   1.861   6.113
+  920SOL    HW2 4333   1.221   1.849   6.247
+  921SOL     OW 4334   1.032   0.549   5.602
+  921SOL    HW1 4335   0.991   0.631   5.563
+  921SOL    HW2 4336   1.096   0.575   5.675
+  922SOL     OW 4337   0.078   0.556   6.972
+  922SOL    HW1 4338   0.170   0.555   6.931
+  922SOL    HW2 4339   0.072   0.630   7.039
+  923SOL     OW 4340   0.561   0.222   6.733
+  923SOL    HW1 4341   0.599   0.138   6.770
+  923SOL    HW2 4342   0.473   0.241   6.777
+  924SOL     OW 4343   0.866   0.454   6.228
+  924SOL    HW1 4344   0.834   0.526   6.166
+  924SOL    HW2 4345   0.890   0.373   6.175
+  925SOL     OW 4346   1.017   0.039   6.339
+  925SOL    HW1 4347   0.945   0.044   6.270
+  925SOL    HW2 4348   0.993  -0.030   6.408
+  926SOL     OW 4349   1.429   1.173   6.453
+  926SOL    HW1 4350   1.374   1.089   6.446
+  926SOL    HW2 4351   1.455   1.202   6.361
+  927SOL     OW 4352   1.466   0.590   6.578
+  927SOL    HW1 4353   1.436   0.495   6.585
+  927SOL    HW2 4354   1.539   0.606   6.644
+  928SOL     OW 4355   1.857   0.833   5.963
+  928SOL    HW1 4356   1.899   0.769   6.027
+  928SOL    HW2 4357   1.819   0.782   5.885
+  929SOL     OW 4358   0.488   1.385   5.760
+  929SOL    HW1 4359   0.401   1.370   5.807
+  929SOL    HW2 4360   0.471   1.411   5.665
+  930SOL     OW 4361   1.664   1.280   6.243
+  930SOL    HW1 4362   1.763   1.288   6.257
+  930SOL    HW2 4363   1.619   1.364   6.274
+  931SOL     OW 4364   1.390   0.575   5.664
+  931SOL    HW1 4365   1.336   0.554   5.745
+  931SOL    HW2 4366   1.481   0.534   5.673
+  932SOL     OW 4367   0.527   0.256   5.914
+  932SOL    HW1 4368   0.554   0.197   5.839
+  932SOL    HW2 4369   0.527   0.351   5.883
+  933SOL     OW 4370   1.754   1.223   7.174
+  933SOL    HW1 4371   1.845   1.184   7.161
+  933SOL    HW2 4372   1.762   1.319   7.198
+  934SOL     OW 4373   1.064   1.347   6.926
+  934SOL    HW1 4374   0.984   1.324   6.981
+  934SOL    HW2 4375   1.147   1.321   6.975
+  935SOL     OW 4376   1.111   1.195   6.686
+  935SOL    HW1 4377   1.071   1.239   6.767
+  935SOL    HW2 4378   1.070   1.232   6.603
+  936SOL     OW 4379   1.638   1.099   6.665
+  936SOL    HW1 4380   1.643   1.180   6.724
+  936SOL    HW2 4381   1.552   1.101   6.614
+  937SOL     OW 4382   0.915   0.089   6.988
+  937SOL    HW1 4383   0.940   0.069   6.893
+  937SOL    HW2 4384   0.987   0.145   7.030
+  938SOL     OW 4385   0.705   1.050   5.954
+  938SOL    HW1 4386   0.691   1.057   6.053
+  938SOL    HW2 4387   0.789   0.999   5.936
+  939SOL     OW 4388   0.410   0.813   6.837
+  939SOL    HW1 4389   0.496   0.825   6.887
+  939SOL    HW2 4390   0.368   0.726   6.864
+  940SOL     OW 4391   1.274   0.386   6.848
+  940SOL    HW1 4392   1.295   0.460   6.912
+  940SOL    HW2 4393   1.185   0.403   6.805
+  941SOL     OW 4394   0.064   1.564   6.917
+  941SOL    HW1 4395   0.018   1.646   6.883
+  941SOL    HW2 4396   0.162   1.583   6.926
+  942SOL     OW 4397   0.367   1.100   6.087
+  942SOL    HW1 4398   0.360   1.183   6.031
+  942SOL    HW2 4399   0.371   1.020   6.027
+  943SOL     OW 4400   0.566   0.537   6.451
+  943SOL    HW1 4401   0.578   0.603   6.377
+  943SOL    HW2 4402   0.612   0.571   6.534
+  944SOL     OW 4403   1.252   1.348   5.974
+  944SOL    HW1 4404   1.302   1.425   6.014
+  944SOL    HW2 4405   1.157   1.350   6.006
+  945SOL     OW 4406   1.272   1.445   6.728
+  945SOL    HW1 4407   1.319   1.458   6.815
+  945SOL    HW2 4408   1.206   1.371   6.737
+  946SOL     OW 4409   1.582   0.639   6.058
+  946SOL    HW1 4410   1.551   0.700   6.131
+  946SOL    HW2 4411   1.632   0.691   5.989
+  947SOL     OW 4412   0.354   1.510   6.915
+  947SOL    HW1 4413   0.333   1.466   6.828
+  947SOL    HW2 4414   0.451   1.536   6.918
+  948SOL     OW 4415   0.402   0.751   7.184
+  948SOL    HW1 4416   0.470   0.806   7.137
+  948SOL    HW2 4417   0.442   0.663   7.211
+  949SOL     OW 4418   1.587   0.779   7.256
+  949SOL    HW1 4419   1.495   0.817   7.251
+  949SOL    HW2 4420   1.647   0.826   7.191
+  950SOL     OW 4421   0.573   0.870   6.615
+  950SOL    HW1 4422   0.617   0.959   6.606
+  950SOL    HW2 4423   0.510   0.870   6.692
+  951SOL     OW 4424   1.360   0.862   6.631
+  951SOL    HW1 4425   1.285   0.862   6.565
+  951SOL    HW2 4426   1.397   0.770   6.640
+  952SOL     OW 4427   1.209   0.525   5.861
+  952SOL    HW1 4428   1.222   0.441   5.915
+  952SOL    HW2 4429   1.180   0.599   5.921
+  953SOL     OW 4430   0.307   0.213   6.817
+  953SOL    HW1 4431   0.284   0.250   6.907
+  953SOL    HW2 4432   0.277   0.118   6.811
+  954SOL     OW 4433   0.037   1.310   6.868
+  954SOL    HW1 4434   0.090   1.261   6.936
+  954SOL    HW2 4435   0.059   1.408   6.873
+  955SOL     OW 4436   0.732   0.634   6.650
+  955SOL    HW1 4437   0.791   0.608   6.574
+  955SOL    HW2 4438   0.704   0.730   6.639
+  956SOL     OW 4439   0.307   0.063   6.204
+  956SOL    HW1 4440   0.296   0.157   6.237
+  956SOL    HW2 4441   0.302   0.000   6.281
+  957SOL     OW 4442   1.622   0.367   5.960
+  957SOL    HW1 4443   1.624   0.291   6.024
+  957SOL    HW2 4444   1.574   0.444   6.000
+  958SOL     OW 4445   1.023   0.766   6.552
+  958SOL    HW1 4446   1.038   0.787   6.648
+  958SOL    HW2 4447   0.993   0.671   6.543
+  959SOL     OW 4448   1.859   1.518   7.191
+  959SOL    HW1 4449   1.873   1.545   7.096
+  959SOL    HW2 4450   1.942   1.540   7.244
+  960SOL     OW 4451   1.540   0.274   5.711
+  960SOL    HW1 4452   1.479   0.199   5.734
+  960SOL    HW2 4453   1.562   0.326   5.794
+  961SOL     OW 4454   1.303   0.838   5.628
+  961SOL    HW1 4455   1.337   0.745   5.643
+  961SOL    HW2 4456   1.321   0.865   5.533
+  962SOL     OW 4457   1.068   1.333   6.435
+  962SOL    HW1 4458   1.075   1.249   6.380
+  962SOL    HW2 4459   1.130   1.402   6.399
+  963SOL     OW 4460   0.319   0.810   6.535
+  963SOL    HW1 4461   0.412   0.846   6.540
+  963SOL    HW2 4462   0.313   0.725   6.587
+  964SOL     OW 4463   0.339   0.509   6.592
+  964SOL    HW1 4464   0.287   0.426   6.575
+  964SOL    HW2 4465   0.416   0.514   6.528
+  965SOL     OW 4466   1.160   0.207   7.063
+  965SOL    HW1 4467   1.160   0.271   7.140
+  965SOL    HW2 4468   1.188   0.255   6.980
+  966SOL     OW 4469   0.008   1.326   5.786
+  966SOL    HW1 4470  -0.085   1.347   5.755
+  966SOL    HW2 4471   0.018   1.227   5.799
+  967SOL     OW 4472   0.088   1.801   6.513
+  967SOL    HW1 4473   0.046   1.715   6.486
+  967SOL    HW2 4474   0.182   1.804   6.479
+  968SOL     OW 4475   0.504   1.568   6.496
+  968SOL    HW1 4476   0.570   1.642   6.505
+  968SOL    HW2 4477   0.548   1.489   6.454
+  969SOL     OW 4478   1.002   0.796   6.824
+  969SOL    HW1 4479   1.043   0.764   6.910
+  969SOL    HW2 4480   0.906   0.769   6.821
+  970SOL     OW 4481   0.040   0.544   6.700
+  970SOL    HW1 4482   0.125   0.511   6.659
+  970SOL    HW2 4483   0.053   0.559   6.798
+  971SOL     OW 4484   0.815   0.572   5.911
+  971SOL    HW1 4485   0.822   0.483   5.865
+  971SOL    HW2 4486   0.721   0.606   5.903
+  972SOL     OW 4487   1.657   0.604   6.792
+  972SOL    HW1 4488   1.619   0.535   6.854
+  972SOL    HW2 4489   1.739   0.568   6.748
+  973SOL     OW 4490   0.252   1.564   7.330
+  973SOL    HW1 4491   0.222   1.621   7.406
+  973SOL    HW2 4492   0.245   1.467   7.356
+  974SOL     OW 4493   0.671   0.464   6.855
+  974SOL    HW1 4494   0.637   0.375   6.825
+  974SOL    HW2 4495   0.697   0.518   6.775
+  975SOL     OW 4496   0.930   1.678   7.051
+  975SOL    HW1 4497   0.906   1.660   6.956
+  975SOL    HW2 4498   0.960   1.772   7.061
+  976SOL     OW 4499   0.473   0.500   5.777
+  976SOL    HW1 4500   0.534   0.580   5.781
+  976SOL    HW2 4501   0.378   0.531   5.784
+  977SOL     OW 4502   0.159   1.137   7.052
+  977SOL    HW1 4503   0.181   1.076   7.128
+  977SOL    HW2 4504   0.169   1.088   6.966
+  978SOL     OW 4505   1.347   1.059   6.820
+  978SOL    HW1 4506   1.371   0.996   6.746
+  978SOL    HW2 4507   1.257   1.099   6.802
+  979SOL     OW 4508   1.302   0.855   5.895
+  979SOL    HW1 4509   1.216   0.824   5.937
+  979SOL    HW2 4510   1.298   0.841   5.796
+  980SOL     OW 4511   1.759   1.747   6.740
+  980SOL    HW1 4512   1.820   1.777   6.667
+  980SOL    HW2 4513   1.721   1.658   6.718
+  981SOL     OW 4514   1.252   1.731   6.714
+  981SOL    HW1 4515   1.336   1.736   6.660
+  981SOL    HW2 4516   1.229   1.635   6.732
+  982SOL     OW 4517   0.083   1.258   6.608
+  982SOL    HW1 4518   0.078   1.257   6.708
+  982SOL    HW2 4519   0.000   1.217   6.570
+  983SOL     OW 4520   1.726   0.135   6.109
+  983SOL    HW1 4521   1.799   0.118   6.042
+  983SOL    HW2 4522   1.695   0.048   6.147
+  984SOL     OW 4523   1.388   1.573   6.063
+  984SOL    HW1 4524   1.455   1.585   5.989
+  984SOL    HW2 4525   1.348   1.662   6.086
+  985SOL     OW 4526   1.280   0.927   6.258
+  985SOL    HW1 4527   1.340   0.846   6.260
+  985SOL    HW2 4528   1.320   0.996   6.198
+  986SOL     OW 4529   0.830   1.273   7.008
+  986SOL    HW1 4530   0.825   1.306   7.103
+  986SOL    HW2 4531   0.744   1.292   6.962
+  987SOL     OW 4532   0.672   1.616   5.740
+  987SOL    HW1 4533   0.681   1.626   5.641
+  987SOL    HW2 4534   0.632   1.527   5.761
+  988SOL     OW 4535   1.650   1.720   6.980
+  988SOL    HW1 4536   1.703   1.730   6.896
+  988SOL    HW2 4537   1.623   1.810   7.014
+  989SOL     OW 4538   1.841   0.175   6.549
+  989SOL    HW1 4539   1.880   0.090   6.513
+  989SOL    HW2 4540   1.743   0.177   6.530
+  990SOL     OW 4541   0.263   0.326   6.306
+  990SOL    HW1 4542   0.184   0.377   6.272
+  990SOL    HW2 4543   0.254   0.311   6.404
+  991SOL     OW 4544   1.194   1.612   5.617
+  991SOL    HW1 4545   1.200   1.519   5.654
+  991SOL    HW2 4546   1.135   1.612   5.537
+  992SOL     OW 4547   0.822   1.002   6.958
+  992SOL    HW1 4548   0.862   1.001   6.866
+  992SOL    HW2 4549   0.832   1.094   6.998
+  993SOL     OW 4550   0.916   0.910   5.877
+  993SOL    HW1 4551   0.979   0.948   5.809
+  993SOL    HW2 4552   0.956   0.827   5.916
+  994SOL     OW 4553   1.504   1.607   5.630
+  994SOL    HW1 4554   1.412   1.644   5.637
+  994SOL    HW2 4555   1.542   1.627   5.540
+  995SOL     OW 4556   0.372   1.288   7.076
+  995SOL    HW1 4557   0.359   1.381   7.042
+  995SOL    HW2 4558   0.288   1.236   7.063
+  996SOL     OW 4559   1.614   1.292   6.875
+  996SOL    HW1 4560   1.674   1.295   6.955
+  996SOL    HW2 4561   1.539   1.356   6.888
+  997SOL     OW 4562   1.039   1.098   6.282
+  997SOL    HW1 4563   0.969   1.051   6.336
+  997SOL    HW2 4564   1.098   1.030   6.239
+  998SOL     OW 4565   1.014   0.236   6.557
+  998SOL    HW1 4566   1.006   0.200   6.464
+  998SOL    HW2 4567   1.012   0.160   6.622
+  999SOL     OW 4568   0.590   1.487   6.077
+  999SOL    HW1 4569   0.632   1.429   6.007
+  999SOL    HW2 4570   0.546   1.566   6.033
+ 1000SOL     OW 4571   1.709   0.385   6.967
+ 1000SOL    HW1 4572   1.782   0.454   6.971
+ 1000SOL    HW2 4573   1.737   0.310   6.908
+ 1001SOL     OW 4574   0.255   1.348   5.876
+ 1001SOL    HW1 4575   0.159   1.349   5.849
+ 1001SOL    HW2 4576   0.267   1.401   5.960
+ 1002SOL     OW 4577   0.105   1.013   7.312
+ 1002SOL    HW1 4578   0.028   0.980   7.366
+ 1002SOL    HW2 4579   0.190   0.983   7.354
+ 1003SOL     OW 4580   0.672   0.203   7.075
+ 1003SOL    HW1 4581   0.762   0.187   7.035
+ 1003SOL    HW2 4582   0.680   0.208   7.174
+ 1004SOL     OW 4583   0.075   0.345   5.619
+ 1004SOL    HW1 4584  -0.017   0.317   5.590
+ 1004SOL    HW2 4585   0.106   0.422   5.563
+ 1005SOL     OW 4586   1.440   0.856   6.984
+ 1005SOL    HW1 4587   1.383   0.908   6.921
+ 1005SOL    HW2 4588   1.536   0.868   6.960
+ 1006SOL     OW 4589   0.072   0.166   5.904
+ 1006SOL    HW1 4590   0.055   0.249   5.850
+ 1006SOL    HW2 4591   0.162   0.129   5.882
+ 1007SOL     OW 4592   1.183   1.335   5.705
+ 1007SOL    HW1 4593   1.084   1.324   5.707
+ 1007SOL    HW2 4594   1.217   1.350   5.798
+ 1008SOL     OW 4595   0.613   0.842   7.017
+ 1008SOL    HW1 4596   0.669   0.923   7.000
+ 1008SOL    HW2 4597   0.672   0.762   7.020
+ 1009SOL     OW 4598   1.493   1.767   6.545
+ 1009SOL    HW1 4599   1.526   1.831   6.476
+ 1009SOL    HW2 4600   1.559   1.761   6.620
+ 1010SOL     OW 4601   0.716   0.565   7.294
+ 1010SOL    HW1 4602   0.735   0.630   7.368
+ 1010SOL    HW2 4603   0.776   0.485   7.303
+ 1011SOL     OW 4604   0.390   1.741   7.146
+ 1011SOL    HW1 4605   0.299   1.782   7.144
+ 1011SOL    HW2 4606   0.383   1.647   7.178
+ 1012SOL     OW 4607   1.674   0.883   6.840
+ 1012SOL    HW1 4608   1.647   0.794   6.803
+ 1012SOL    HW2 4609   1.675   0.951   6.767
+ 1013SOL     OW 4610   1.225   0.325   6.035
+ 1013SOL    HW1 4611   1.290   0.251   6.024
+ 1013SOL    HW2 4612   1.245   0.375   6.119
+ 1014SOL     OW 4613   0.594   0.745   6.238
+ 1014SOL    HW1 4614   0.644   0.830   6.219
+ 1014SOL    HW2 4615   0.506   0.747   6.190
+ 1015SOL     OW 4616   1.730   0.934   7.103
+ 1015SOL    HW1 4617   1.768   1.025   7.118
+ 1015SOL    HW2 4618   1.722   0.917   7.004
+ 1016SOL     OW 4619   0.859   1.374   5.602
+ 1016SOL    HW1 4620   0.813   1.389   5.690
+ 1016SOL    HW2 4621   0.903   1.459   5.572
+ 1017SOL     OW 4622   0.661   1.790   6.539
+ 1017SOL    HW1 4623   0.615   1.878   6.526
+ 1017SOL    HW2 4624   0.760   1.802   6.532
+ 1018SOL     OW 4625   0.859   0.956   6.447
+ 1018SOL    HW1 4626   0.913   0.887   6.495
+ 1018SOL    HW2 4627   0.827   1.025   6.513
+ 1019SOL     OW 4628   1.083   0.984   5.673
+ 1019SOL    HW1 4629   1.060   1.037   5.591
+ 1019SOL    HW2 4630   1.164   0.928   5.654
+ 1020SOL     OW 4631   1.861   1.569   6.437
+ 1020SOL    HW1 4632   1.790   1.557   6.367
+ 1020SOL    HW2 4633   1.862   1.490   6.497
+ 1021SOL     OW 4634   0.079   1.240   6.239
+ 1021SOL    HW1 4635   0.078   1.193   6.327
+ 1021SOL    HW2 4636   0.161   1.212   6.188
+ 1022SOL     OW 4637   0.672   1.391   7.210
+ 1022SOL    HW1 4638   0.594   1.341   7.248
+ 1022SOL    HW2 4639   0.669   1.486   7.241
+ 1023SOL     OW 4640   1.824   0.192   6.813
+ 1023SOL    HW1 4641   1.820   0.102   6.857
+ 1023SOL    HW2 4642   1.827   0.181   6.714
+ 1024SOL     OW 4643   0.428   0.424   6.106
+ 1024SOL    HW1 4644   0.458   0.352   6.044
+ 1024SOL    HW2 4645   0.389   0.384   6.189
+ 1025SOL     OW 4646   1.705   1.487   6.690
+ 1025SOL    HW1 4647   1.612   1.462   6.663
+ 1025SOL    HW2 4648   1.731   1.437   6.772
+ 1026SOL     OW 4649   0.317   0.547   6.866
+ 1026SOL    HW1 4650   0.355   0.488   6.938
+ 1026SOL    HW2 4651   0.357   0.521   6.778
+ 1027SOL     OW 4652   0.812   1.586   6.273
+ 1027SOL    HW1 4653   0.844   1.596   6.179
+ 1027SOL    HW2 4654   0.733   1.524   6.275
+ 1028SOL     OW 4655   1.424   0.214   6.698
+ 1028SOL    HW1 4656   1.476   0.149   6.753
+ 1028SOL    HW2 4657   1.375   0.277   6.759
+ 1029SOL     OW 4658   1.001   0.034   6.740
+ 1029SOL    HW1 4659   0.938  -0.038   6.709
+ 1029SOL    HW2 4660   1.094  -0.002   6.740
+ 1030SOL     OW 4661   0.770   1.330   5.887
+ 1030SOL    HW1 4662   0.724   1.243   5.904
+ 1030SOL    HW2 4663   0.861   1.327   5.928
+ 1031SOL     OW 4664   0.618   1.567   6.870
+ 1031SOL    HW1 4665   0.613   1.649   6.927
+ 1031SOL    HW2 4666   0.707   1.564   6.825
+ 1032SOL     OW 4667   1.352   0.052   5.754
+ 1032SOL    HW1 4668   1.387   0.011   5.670
+ 1032SOL    HW2 4669   1.262   0.014   5.774
+ 1033SOL     OW 4670   1.300   0.453   6.277
+ 1033SOL    HW1 4671   1.241   0.533   6.281
+ 1033SOL    HW2 4672   1.315   0.418   6.370
+ 1034SOL     OW 4673   1.593   0.221   6.468
+ 1034SOL    HW1 4674   1.509   0.220   6.522
+ 1034SOL    HW2 4675   1.595   0.304   6.412
+ 1035SOL     OW 4676   0.039   1.077   5.886
+ 1035SOL    HW1 4677   0.138   1.066   5.877
+ 1035SOL    HW2 4678  -0.001   0.991   5.918
+ 1036SOL     OW 4679   0.875   1.646   5.923
+ 1036SOL    HW1 4680   0.798   1.611   5.869
+ 1036SOL    HW2 4681   0.843   1.717   5.985
+ 1037SOL     OW 4682   0.230   2.490   0.113
+ 1037SOL    HW1 4683   0.137   2.488   0.150
+ 1037SOL    HW2 4684   0.231   2.451   0.021
+ 1038SOL     OW 4685   0.225   2.137   0.996
+ 1038SOL    HW1 4686   0.260   2.120   1.088
+ 1038SOL    HW2 4687   0.137   2.092   0.984
+ 1039SOL     OW 4688   0.019   2.230   0.647
+ 1039SOL    HW1 4689  -0.063   2.273   0.686
+ 1039SOL    HW2 4690  -0.009   2.157   0.584
+ 1040SOL     OW 4691   0.569   3.137   1.165
+ 1040SOL    HW1 4692   0.476   3.130   1.128
+ 1040SOL    HW2 4693   0.580   3.226   1.209
+ 1041SOL     OW 4694   1.555   3.373   0.703
+ 1041SOL    HW1 4695   1.498   3.357   0.784
+ 1041SOL    HW2 4696   1.496   3.383   0.623
+ 1042SOL     OW 4697   1.135   2.565   0.717
+ 1042SOL    HW1 4698   1.192   2.643   0.692
+ 1042SOL    HW2 4699   1.075   2.591   0.793
+ 1043SOL     OW 4700   1.755   2.469   0.231
+ 1043SOL    HW1 4701   1.743   2.456   0.132
+ 1043SOL    HW2 4702   1.725   2.388   0.280
+ 1044SOL     OW 4703   0.768   3.006   1.023
+ 1044SOL    HW1 4704   0.690   3.023   1.083
+ 1044SOL    HW2 4705   0.802   3.093   0.987
+ 1045SOL     OW 4706   0.850   2.660   1.823
+ 1045SOL    HW1 4707   0.846   2.736   1.888
+ 1045SOL    HW2 4708   0.872   2.696   1.732
+ 1046SOL     OW 4709   0.685   2.874   0.665
+ 1046SOL    HW1 4710   0.754   2.858   0.735
+ 1046SOL    HW2 4711   0.612   2.931   0.703
+ 1047SOL     OW 4712   0.686   3.023   1.803
+ 1047SOL    HW1 4713   0.746   3.102   1.817
+ 1047SOL    HW2 4714   0.600   3.054   1.762
+ 1048SOL     OW 4715   0.335   3.297   1.061
+ 1048SOL    HW1 4716   0.257   3.266   1.008
+ 1048SOL    HW2 4717   0.393   3.355   1.004
+ 1049SOL     OW 4718   1.460   3.367   1.339
+ 1049SOL    HW1 4719   1.484   3.461   1.365
+ 1049SOL    HW2 4720   1.444   3.313   1.421
+ 1050SOL     OW 4721   0.438   2.254   1.499
+ 1050SOL    HW1 4722   0.520   2.198   1.508
+ 1050SOL    HW2 4723   0.357   2.196   1.503
+ 1051SOL     OW 4724   1.603   2.309   0.737
+ 1051SOL    HW1 4725   1.529   2.355   0.687
+ 1051SOL    HW2 4726   1.654   2.377   0.790
+ 1052SOL     OW 4727   0.231   3.575   0.483
+ 1052SOL    HW1 4728   0.265   3.652   0.537
+ 1052SOL    HW2 4729   0.275   3.575   0.393
+ 1053SOL     OW 4730   1.127   3.203   1.690
+ 1053SOL    HW1 4731   1.174   3.203   1.778
+ 1053SOL    HW2 4732   1.079   3.116   1.679
+ 1054SOL     OW 4733   0.230   3.296   0.538
+ 1054SOL    HW1 4734   0.204   3.392   0.538
+ 1054SOL    HW2 4735   0.159   3.242   0.583
+ 1055SOL     OW 4736   0.240   2.953   0.886
+ 1055SOL    HW1 4737   0.254   2.869   0.938
+ 1055SOL    HW2 4738   0.185   3.017   0.941
+ 1056SOL     OW 4739   0.620   3.648   1.439
+ 1056SOL    HW1 4740   0.528   3.631   1.474
+ 1056SOL    HW2 4741   0.648   3.740   1.465
+ 1057SOL     OW 4742   0.606   2.826   0.123
+ 1057SOL    HW1 4743   0.613   2.910   0.069
+ 1057SOL    HW2 4744   0.652   2.839   0.211
+ 1058SOL     OW 4745   1.594   1.976   1.480
+ 1058SOL    HW1 4746   1.576   2.043   1.408
+ 1058SOL    HW2 4747   1.591   2.022   1.569
+ 1059SOL     OW 4748   0.122   2.505   0.563
+ 1059SOL    HW1 4749   0.077   2.417   0.580
+ 1059SOL    HW2 4750   0.121   2.559   0.647
+ 1060SOL     OW 4751   1.842   3.629   0.359
+ 1060SOL    HW1 4752   1.896   3.600   0.439
+ 1060SOL    HW2 4753   1.872   3.719   0.330
+ 1061SOL     OW 4754   0.027   3.458   0.117
+ 1061SOL    HW1 4755   0.008   3.362   0.138
+ 1061SOL    HW2 4756  -0.006   3.516   0.192
+ 1062SOL     OW 4757   1.689   2.784   0.612
+ 1062SOL    HW1 4758   1.784   2.755   0.620
+ 1062SOL    HW2 4759   1.681   2.849   0.537
+ 1063SOL     OW 4760   1.641   2.970   0.432
+ 1063SOL    HW1 4761   1.727   2.972   0.380
+ 1063SOL    HW2 4762   1.655   3.017   0.520
+ 1064SOL     OW 4763   0.113   2.599   1.597
+ 1064SOL    HW1 4764   0.201   2.586   1.642
+ 1064SOL    HW2 4765   0.100   2.696   1.575
+ 1065SOL     OW 4766   0.613   3.227   0.726
+ 1065SOL    HW1 4767   0.564   3.140   0.735
+ 1065SOL    HW2 4768   0.590   3.270   0.639
+ 1066SOL     OW 4769   1.293   3.090   1.423
+ 1066SOL    HW1 4770   1.330   3.017   1.365
+ 1066SOL    HW2 4771   1.345   3.095   1.508
+ 1067SOL     OW 4772   0.809   1.866   0.502
+ 1067SOL    HW1 4773   0.849   1.957   0.493
+ 1067SOL    HW2 4774   0.709   1.874   0.508
+ 1068SOL     OW 4775   0.197   2.838   1.264
+ 1068SOL    HW1 4776   0.286   2.793   1.250
+ 1068SOL    HW2 4777   0.124   2.773   1.245
+ 1069SOL     OW 4778   1.525   2.861   0.190
+ 1069SOL    HW1 4779   1.462   2.785   0.203
+ 1069SOL    HW2 4780   1.573   2.879   0.276
+ 1070SOL     OW 4781   1.187   3.654   1.616
+ 1070SOL    HW1 4782   1.211   3.714   1.540
+ 1070SOL    HW2 4783   1.194   3.559   1.586
+ 1071SOL     OW 4784   0.317   2.113   1.801
+ 1071SOL    HW1 4785   0.388   2.184   1.807
+ 1071SOL    HW2 4786   0.229   2.152   1.829
+ 1072SOL     OW 4787   1.466   3.279   0.953
+ 1072SOL    HW1 4788   1.407   3.285   1.033
+ 1072SOL    HW2 4789   1.451   3.191   0.907
+ 1073SOL     OW 4790   1.667   3.576   0.572
+ 1073SOL    HW1 4791   1.626   3.553   0.484
+ 1073SOL    HW2 4792   1.649   3.502   0.637
+ 1074SOL     OW 4793   0.598   2.591   0.270
+ 1074SOL    HW1 4794   0.622   2.660   0.202
+ 1074SOL    HW2 4795   0.520   2.624   0.324
+ 1075SOL     OW 4796   1.281   2.207   0.944
+ 1075SOL    HW1 4797   1.195   2.157   0.931
+ 1075SOL    HW2 4798   1.343   2.153   1.000
+ 1076SOL     OW 4799   1.576   3.524   0.307
+ 1076SOL    HW1 4800   1.665   3.570   0.310
+ 1076SOL    HW2 4801   1.555   3.500   0.212
+ 1077SOL     OW 4802   0.807   2.467   1.465
+ 1077SOL    HW1 4803   0.760   2.464   1.554
+ 1077SOL    HW2 4804   0.756   2.412   1.399
+ 1078SOL     OW 4805   1.394   2.331   1.674
+ 1078SOL    HW1 4806   1.374   2.374   1.762
+ 1078SOL    HW2 4807   1.472   2.269   1.683
+ 1079SOL     OW 4808   0.973   2.752   1.572
+ 1079SOL    HW1 4809   1.019   2.668   1.543
+ 1079SOL    HW2 4810   0.917   2.786   1.497
+ 1080SOL     OW 4811   0.991   2.272   1.242
+ 1080SOL    HW1 4812   0.914   2.306   1.296
+ 1080SOL    HW2 4813   0.957   2.221   1.163
+ 1081SOL     OW 4814   1.041   2.563   0.429
+ 1081SOL    HW1 4815   1.067   2.559   0.525
+ 1081SOL    HW2 4816   0.956   2.512   0.415
+ 1082SOL     OW 4817   0.076   2.673   0.789
+ 1082SOL    HW1 4818   0.175   2.661   0.798
+ 1082SOL    HW2 4819   0.052   2.768   0.810
+ 1083SOL     OW 4820   0.130   3.683   1.571
+ 1083SOL    HW1 4821   0.120   3.668   1.670
+ 1083SOL    HW2 4822   0.044   3.719   1.535
+ 1084SOL     OW 4823   0.865   2.210   0.195
+ 1084SOL    HW1 4824   0.924   2.273   0.146
+ 1084SOL    HW2 4825   0.884   2.116   0.166
+ 1085SOL     OW 4826   1.719   2.447   1.831
+ 1085SOL    HW1 4827   1.693   2.536   1.795
+ 1085SOL    HW2 4828   1.717   2.379   1.758
+ 1086SOL     OW 4829   1.362   3.006   0.545
+ 1086SOL    HW1 4830   1.445   2.977   0.497
+ 1086SOL    HW2 4831   1.313   3.073   0.489
+ 1087SOL     OW 4832   0.550   2.058   0.885
+ 1087SOL    HW1 4833   0.545   2.053   0.985
+ 1087SOL    HW2 4834   0.552   2.154   0.856
+ 1088SOL     OW 4835   1.008   3.318   0.477
+ 1088SOL    HW1 4836   0.962   3.390   0.425
+ 1088SOL    HW2 4837   1.004   3.338   0.575
+ 1089SOL     OW 4838   0.351   3.663   0.853
+ 1089SOL    HW1 4839   0.401   3.577   0.859
+ 1089SOL    HW2 4840   0.416   3.740   0.850
+ 1090SOL     OW 4841   1.795   2.928   0.873
+ 1090SOL    HW1 4842   1.733   2.913   0.797
+ 1090SOL    HW2 4843   1.743   2.939   0.958
+ 1091SOL     OW 4844   1.227   3.412   1.506
+ 1091SOL    HW1 4845   1.233   3.335   1.570
+ 1091SOL    HW2 4846   1.175   3.386   1.426
+ 1092SOL     OW 4847   0.321   2.805   0.242
+ 1092SOL    HW1 4848   0.403   2.844   0.200
+ 1092SOL    HW2 4849   0.294   2.723   0.193
+ 1093SOL     OW 4850   1.458   2.597   0.728
+ 1093SOL    HW1 4851   1.453   2.532   0.803
+ 1093SOL    HW2 4852   1.538   2.656   0.741
+ 1094SOL     OW 4853   0.461   3.128   1.727
+ 1094SOL    HW1 4854   0.411   3.129   1.641
+ 1094SOL    HW2 4855   0.398   3.110   1.803
+ 1095SOL     OW 4856   1.111   3.638   0.237
+ 1095SOL    HW1 4857   1.051   3.576   0.287
+ 1095SOL    HW2 4858   1.142   3.594   0.152
+ 1096SOL     OW 4859   0.202   2.147   1.498
+ 1096SOL    HW1 4860   0.122   2.207   1.485
+ 1096SOL    HW2 4861   0.192   2.098   1.584
+ 1097SOL     OW 4862   1.632   3.239   0.081
+ 1097SOL    HW1 4863   1.600   3.333   0.071
+ 1097SOL    HW2 4864   1.556   3.176   0.069
+ 1098SOL     OW 4865   0.464   3.605   0.323
+ 1098SOL    HW1 4866   0.497   3.644   0.409
+ 1098SOL    HW2 4867   0.540   3.598   0.258
+ 1099SOL     OW 4868   1.400   1.969   0.426
+ 1099SOL    HW1 4869   1.376   1.932   0.336
+ 1099SOL    HW2 4870   1.499   1.985   0.430
+ 1100SOL     OW 4871   0.249   3.647   1.241
+ 1100SOL    HW1 4872   0.306   3.582   1.291
+ 1100SOL    HW2 4873   0.233   3.614   1.148
+ 1101SOL     OW 4874   0.940   3.560   0.904
+ 1101SOL    HW1 4875   1.020   3.503   0.925
+ 1101SOL    HW2 4876   0.891   3.520   0.827
+ 1102SOL     OW 4877   0.382   2.562   0.480
+ 1102SOL    HW1 4878   0.427   2.472   0.477
+ 1102SOL    HW2 4879   0.288   2.551   0.513
+ 1103SOL     OW 4880   1.547   2.084   1.729
+ 1103SOL    HW1 4881   1.542   2.121   1.821
+ 1103SOL    HW2 4882   1.475   2.015   1.717
+ 1104SOL     OW 4883   0.614   1.984   0.117
+ 1104SOL    HW1 4884   0.712   1.962   0.124
+ 1104SOL    HW2 4885   0.583   1.967   0.024
+ 1105SOL     OW 4886   0.781   2.126   1.749
+ 1105SOL    HW1 4887   0.848   2.065   1.792
+ 1105SOL    HW2 4888   0.708   2.145   1.814
+ 1106SOL     OW 4889   0.888   3.376   1.195
+ 1106SOL    HW1 4890   0.865   3.351   1.101
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+ 1107SOL     OW 4892   1.351   2.452   1.433
+ 1107SOL    HW1 4893   1.379   2.409   1.518
+ 1107SOL    HW2 4894   1.376   2.548   1.434
+ 1108SOL     OW 4895   0.803   3.264   0.924
+ 1108SOL    HW1 4896   0.893   3.278   0.882
+ 1108SOL    HW2 4897   0.732   3.266   0.853
+ 1109SOL     OW 4898   0.922   2.365   0.899
+ 1109SOL    HW1 4899   0.897   2.356   0.803
+ 1109SOL    HW2 4900   0.970   2.283   0.930
+ 1110SOL     OW 4901   0.539   1.926   0.512
+ 1110SOL    HW1 4902   0.458   1.927   0.570
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+ 1111SOL     OW 4904   1.434   3.050   0.041
+ 1111SOL    HW1 4905   1.466   2.974   0.098
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+ 1112SOL     OW 4907   0.297   1.897   0.171
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+ 1113SOL     OW 4910   0.935   2.098   0.480
+ 1113SOL    HW1 4911   0.887   2.139   0.402
+ 1113SOL    HW2 4912   1.034   2.096   0.461
+ 1114SOL     OW 4913   1.076   2.545   1.464
+ 1114SOL    HW1 4914   0.996   2.484   1.467
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+ 1115SOL     OW 4916   1.227   3.432   0.793
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+ 1116SOL    HW1 4920   0.388   2.987   0.806
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+ 1117SOL     OW 4922   1.271   3.659   0.591
+ 1117SOL    HW1 4923   1.315   3.723   0.527
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+ 1118SOL     OW 4925   1.032   2.411   0.016
+ 1118SOL    HW1 4926   0.991   2.493  -0.023
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+ 1120SOL     OW 4931   0.561   2.084   1.147
+ 1120SOL    HW1 4932   0.599   2.000   1.184
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+ 1121SOL     OW 4934   0.866   2.316   0.642
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+ 1122SOL     OW 4937   1.017   1.901   0.753
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+ 1155SOL     OW 5036   0.037   3.172   1.282
+ 1155SOL    HW1 5037   0.090   3.123   1.350
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+ 1156SOL     OW 5039   0.732   2.496   1.064
+ 1156SOL    HW1 5040   0.791   2.470   0.988
+ 1156SOL    HW2 5041   0.704   2.592   1.053
+ 1157SOL     OW 5042   1.728   2.797   1.854
+ 1157SOL    HW1 5043   1.682   2.790   1.765
+ 1157SOL    HW2 5044   1.666   2.841   1.920
+ 1158SOL     OW 5045   0.307   1.925   0.618
+ 1158SOL    HW1 5046   0.296   2.019   0.651
+ 1158SOL    HW2 5047   0.302   1.862   0.695
+ 1159SOL     OW 5048   1.622   2.229   0.374
+ 1159SOL    HW1 5049   1.624   2.153   0.438
+ 1159SOL    HW2 5050   1.574   2.306   0.414
+ 1160SOL     OW 5051   1.023   2.628   0.966
+ 1160SOL    HW1 5052   1.038   2.649   1.062
+ 1160SOL    HW2 5053   0.993   2.533   0.957
+ 1161SOL     OW 5054   0.980   3.435   1.700
+ 1161SOL    HW1 5055   0.960   3.479   1.612
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+ 1162SOL     OW 5057   1.859   3.380   1.605
+ 1162SOL    HW1 5058   1.873   3.407   1.510
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+ 1163SOL     OW 5060   0.350   2.760   1.804
+ 1163SOL    HW1 5061   0.426   2.804   1.852
+ 1163SOL    HW2 5062   0.385   2.713   1.722
+ 1164SOL     OW 5063   1.540   2.136   0.125
+ 1164SOL    HW1 5064   1.479   2.061   0.148
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+ 1165SOL     OW 5066   1.303   2.700   0.042
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+ 1165SOL    HW2 5068   1.321   2.727  -0.053
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+ 1167SOL    HW1 5073   0.412   2.708   0.954
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+ 1171SOL     OW 5084   0.008   3.188   0.200
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+ 1174SOL     OW 5093   1.002   2.658   1.238
+ 1174SOL    HW1 5094   1.043   2.626   1.324
+ 1174SOL    HW2 5095   0.906   2.631   1.235
+ 1175SOL     OW 5096   0.040   2.406   1.114
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+ 1176SOL    HW1 5100   0.248   2.342   1.652
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+ 1177SOL     OW 5102   1.369   2.812   1.660
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+ 1179SOL     OW 5108   1.657   2.466   1.206
+ 1179SOL    HW1 5109   1.619   2.397   1.268
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+ 1180SOL     OW 5111   0.252   3.426   1.744
+ 1180SOL    HW1 5112   0.222   3.483   1.820
+ 1180SOL    HW2 5113   0.245   3.329   1.770
+ 1181SOL     OW 5114   0.671   2.326   1.269
+ 1181SOL    HW1 5115   0.637   2.237   1.239
+ 1181SOL    HW2 5116   0.697   2.380   1.189
+ 1182SOL     OW 5117   0.930   3.540   1.465
+ 1182SOL    HW1 5118   0.906   3.522   1.370
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+ 1183SOL    HW1 5121   0.534   2.442   0.195
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+ 1184SOL     OW 5123   0.159   2.999   1.466
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+ 1185SOL     OW 5126   1.347   2.921   1.234
+ 1185SOL    HW1 5127   1.371   2.858   1.160
+ 1185SOL    HW2 5128   1.257   2.961   1.216
+ 1186SOL     OW 5129   1.302   2.717   0.309
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+ 1187SOL     OW 5132   1.759   3.609   1.154
+ 1187SOL    HW1 5133   1.820   3.639   1.081
+ 1187SOL    HW2 5134   1.721   3.520   1.132
+ 1188SOL     OW 5135   1.252   3.593   1.128
+ 1188SOL    HW1 5136   1.336   3.598   1.074
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+ 1189SOL     OW 5138   0.083   3.120   1.022
+ 1189SOL    HW1 5139   0.078   3.119   1.122
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+ 1190SOL     OW 5141   0.688   3.524   1.716
+ 1190SOL    HW1 5142   0.632   3.605   1.725
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+ 1191SOL     OW 5144   0.903   1.948   0.133
+ 1191SOL    HW1 5145   0.954   1.949   0.047
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+ 1192SOL     OW 5147   1.726   1.997   0.523
+ 1192SOL    HW1 5148   1.799   1.980   0.456
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+ 1193SOL     OW 5150   1.388   3.435   0.477
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+ 1194SOL    HW1 5154   0.089   3.582   1.904
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+ 1195SOL     OW 5156   1.280   2.789   0.672
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+ 1196SOL     OW 5159   0.830   3.135   1.422
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+ 1197SOL     OW 5162   0.672   3.478   0.154
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+ 1198SOL    HW1 5166   1.703   3.592   1.310
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+ 1199SOL     OW 5168   1.841   2.037   0.963
+ 1199SOL    HW1 5169   1.880   1.952   0.927
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+ 1204SOL     OW 5183   1.504   3.469   0.044
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+ 1211SOL     OW 5204   0.255   3.210   0.290
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+ 1213SOL     OW 5210   0.672   2.065   1.489
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+ 1214SOL     OW 5213   0.075   2.207   0.033
+ 1214SOL    HW1 5214  -0.017   2.179   0.004
+ 1214SOL    HW2 5215   0.106   2.284  -0.023
+ 1215SOL     OW 5216   1.440   2.718   1.398
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+ 1216SOL     OW 5219   0.072   2.028   0.318
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+ 1218SOL     OW 5225   0.613   2.704   1.431
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+ 1272SOL    HW2 5389   0.121   2.559   2.509
+ 1273SOL     OW 5390   1.842   3.629   2.221
+ 1273SOL    HW1 5391   1.896   3.600   2.301
+ 1273SOL    HW2 5392   1.872   3.719   2.192
+ 1274SOL     OW 5393   0.027   3.458   1.979
+ 1274SOL    HW1 5394   0.008   3.362   2.000
+ 1274SOL    HW2 5395  -0.006   3.516   2.054
+ 1275SOL     OW 5396   1.689   2.784   2.474
+ 1275SOL    HW1 5397   1.784   2.755   2.482
+ 1275SOL    HW2 5398   1.681   2.849   2.399
+ 1276SOL     OW 5399   1.641   2.970   2.294
+ 1276SOL    HW1 5400   1.727   2.972   2.242
+ 1276SOL    HW2 5401   1.655   3.017   2.382
+ 1277SOL     OW 5402   0.113   2.599   3.459
+ 1277SOL    HW1 5403   0.201   2.586   3.504
+ 1277SOL    HW2 5404   0.100   2.696   3.437
+ 1278SOL     OW 5405   0.613   3.227   2.588
+ 1278SOL    HW1 5406   0.564   3.140   2.597
+ 1278SOL    HW2 5407   0.590   3.270   2.501
+ 1279SOL     OW 5408   1.293   3.090   3.285
+ 1279SOL    HW1 5409   1.330   3.017   3.227
+ 1279SOL    HW2 5410   1.345   3.095   3.370
+ 1280SOL     OW 5411   0.809   1.866   2.364
+ 1280SOL    HW1 5412   0.849   1.957   2.355
+ 1280SOL    HW2 5413   0.709   1.874   2.370
+ 1281SOL     OW 5414   0.197   2.838   3.126
+ 1281SOL    HW1 5415   0.286   2.793   3.112
+ 1281SOL    HW2 5416   0.124   2.773   3.107
+ 1282SOL     OW 5417   1.525   2.861   2.052
+ 1282SOL    HW1 5418   1.462   2.785   2.065
+ 1282SOL    HW2 5419   1.573   2.879   2.138
+ 1283SOL     OW 5420   1.187   3.654   3.478
+ 1283SOL    HW1 5421   1.211   3.714   3.402
+ 1283SOL    HW2 5422   1.194   3.559   3.448
+ 1284SOL     OW 5423   0.317   2.113   3.663
+ 1284SOL    HW1 5424   0.388   2.184   3.669
+ 1284SOL    HW2 5425   0.229   2.152   3.691
+ 1285SOL     OW 5426   1.466   3.279   2.815
+ 1285SOL    HW1 5427   1.407   3.285   2.895
+ 1285SOL    HW2 5428   1.451   3.191   2.769
+ 1286SOL     OW 5429   1.667   3.576   2.434
+ 1286SOL    HW1 5430   1.626   3.553   2.346
+ 1286SOL    HW2 5431   1.649   3.502   2.499
+ 1287SOL     OW 5432   0.598   2.591   2.132
+ 1287SOL    HW1 5433   0.622   2.660   2.064
+ 1287SOL    HW2 5434   0.520   2.624   2.186
+ 1288SOL     OW 5435   1.281   2.207   2.806
+ 1288SOL    HW1 5436   1.195   2.157   2.793
+ 1288SOL    HW2 5437   1.343   2.153   2.862
+ 1289SOL     OW 5438   1.576   3.524   2.169
+ 1289SOL    HW1 5439   1.665   3.570   2.172
+ 1289SOL    HW2 5440   1.555   3.500   2.074
+ 1290SOL     OW 5441   0.807   2.467   3.327
+ 1290SOL    HW1 5442   0.760   2.464   3.416
+ 1290SOL    HW2 5443   0.756   2.412   3.261
+ 1291SOL     OW 5444   1.394   2.331   3.536
+ 1291SOL    HW1 5445   1.374   2.374   3.624
+ 1291SOL    HW2 5446   1.472   2.269   3.545
+ 1292SOL     OW 5447   0.973   2.752   3.434
+ 1292SOL    HW1 5448   1.019   2.668   3.405
+ 1292SOL    HW2 5449   0.917   2.786   3.359
+ 1293SOL     OW 5450   0.991   2.272   3.104
+ 1293SOL    HW1 5451   0.914   2.306   3.158
+ 1293SOL    HW2 5452   0.957   2.221   3.025
+ 1294SOL     OW 5453   1.041   2.563   2.291
+ 1294SOL    HW1 5454   1.067   2.559   2.387
+ 1294SOL    HW2 5455   0.956   2.512   2.277
+ 1295SOL     OW 5456   0.076   2.673   2.651
+ 1295SOL    HW1 5457   0.175   2.661   2.660
+ 1295SOL    HW2 5458   0.052   2.768   2.672
+ 1296SOL     OW 5459   0.130   3.683   3.433
+ 1296SOL    HW1 5460   0.120   3.668   3.532
+ 1296SOL    HW2 5461   0.044   3.719   3.397
+ 1297SOL     OW 5462   0.865   2.210   2.057
+ 1297SOL    HW1 5463   0.924   2.273   2.008
+ 1297SOL    HW2 5464   0.884   2.116   2.028
+ 1298SOL     OW 5465   1.719   2.447   3.693
+ 1298SOL    HW1 5466   1.693   2.536   3.657
+ 1298SOL    HW2 5467   1.717   2.379   3.620
+ 1299SOL     OW 5468   1.362   3.006   2.407
+ 1299SOL    HW1 5469   1.445   2.977   2.359
+ 1299SOL    HW2 5470   1.313   3.073   2.351
+ 1300SOL     OW 5471   0.550   2.058   2.747
+ 1300SOL    HW1 5472   0.545   2.053   2.847
+ 1300SOL    HW2 5473   0.552   2.154   2.718
+ 1301SOL     OW 5474   1.008   3.318   2.339
+ 1301SOL    HW1 5475   0.962   3.390   2.287
+ 1301SOL    HW2 5476   1.004   3.338   2.437
+ 1302SOL     OW 5477   0.351   3.663   2.715
+ 1302SOL    HW1 5478   0.401   3.577   2.721
+ 1302SOL    HW2 5479   0.416   3.740   2.712
+ 1303SOL     OW 5480   1.795   2.928   2.735
+ 1303SOL    HW1 5481   1.733   2.913   2.659
+ 1303SOL    HW2 5482   1.743   2.939   2.820
+ 1304SOL     OW 5483   1.227   3.412   3.368
+ 1304SOL    HW1 5484   1.233   3.335   3.432
+ 1304SOL    HW2 5485   1.175   3.386   3.288
+ 1305SOL     OW 5486   0.321   2.805   2.104
+ 1305SOL    HW1 5487   0.403   2.844   2.062
+ 1305SOL    HW2 5488   0.294   2.723   2.055
+ 1306SOL     OW 5489   1.458   2.597   2.590
+ 1306SOL    HW1 5490   1.453   2.532   2.665
+ 1306SOL    HW2 5491   1.538   2.656   2.603
+ 1307SOL     OW 5492   0.461   3.128   3.589
+ 1307SOL    HW1 5493   0.411   3.129   3.503
+ 1307SOL    HW2 5494   0.398   3.110   3.665
+ 1308SOL     OW 5495   1.111   3.638   2.099
+ 1308SOL    HW1 5496   1.051   3.576   2.149
+ 1308SOL    HW2 5497   1.142   3.594   2.014
+ 1309SOL     OW 5498   0.202   2.147   3.360
+ 1309SOL    HW1 5499   0.122   2.207   3.347
+ 1309SOL    HW2 5500   0.192   2.098   3.446
+ 1310SOL     OW 5501   1.632   3.239   1.943
+ 1310SOL    HW1 5502   1.600   3.333   1.933
+ 1310SOL    HW2 5503   1.556   3.176   1.931
+ 1311SOL     OW 5504   0.464   3.605   2.185
+ 1311SOL    HW1 5505   0.497   3.644   2.271
+ 1311SOL    HW2 5506   0.540   3.598   2.120
+ 1312SOL     OW 5507   1.400   1.969   2.288
+ 1312SOL    HW1 5508   1.376   1.932   2.198
+ 1312SOL    HW2 5509   1.499   1.985   2.292
+ 1313SOL     OW 5510   0.249   3.647   3.103
+ 1313SOL    HW1 5511   0.306   3.582   3.153
+ 1313SOL    HW2 5512   0.233   3.614   3.010
+ 1314SOL     OW 5513   0.940   3.560   2.766
+ 1314SOL    HW1 5514   1.020   3.503   2.787
+ 1314SOL    HW2 5515   0.891   3.520   2.689
+ 1315SOL     OW 5516   0.382   2.562   2.342
+ 1315SOL    HW1 5517   0.427   2.472   2.339
+ 1315SOL    HW2 5518   0.288   2.551   2.375
+ 1316SOL     OW 5519   1.547   2.084   3.591
+ 1316SOL    HW1 5520   1.542   2.121   3.683
+ 1316SOL    HW2 5521   1.475   2.015   3.579
+ 1317SOL     OW 5522   0.614   1.984   1.979
+ 1317SOL    HW1 5523   0.712   1.962   1.986
+ 1317SOL    HW2 5524   0.583   1.967   1.886
+ 1318SOL     OW 5525   0.781   2.126   3.611
+ 1318SOL    HW1 5526   0.848   2.065   3.654
+ 1318SOL    HW2 5527   0.708   2.145   3.676
+ 1319SOL     OW 5528   0.888   3.376   3.057
+ 1319SOL    HW1 5529   0.865   3.351   2.963
+ 1319SOL    HW2 5530   0.949   3.307   3.096
+ 1320SOL     OW 5531   1.351   2.452   3.295
+ 1320SOL    HW1 5532   1.379   2.409   3.380
+ 1320SOL    HW2 5533   1.376   2.548   3.296
+ 1321SOL     OW 5534   0.803   3.264   2.786
+ 1321SOL    HW1 5535   0.893   3.278   2.744
+ 1321SOL    HW2 5536   0.732   3.266   2.715
+ 1322SOL     OW 5537   0.922   2.365   2.761
+ 1322SOL    HW1 5538   0.897   2.356   2.665
+ 1322SOL    HW2 5539   0.970   2.283   2.792
+ 1323SOL     OW 5540   0.539   1.926   2.374
+ 1323SOL    HW1 5541   0.458   1.927   2.432
+ 1323SOL    HW2 5542   0.542   2.009   2.319
+ 1324SOL     OW 5543   1.434   3.050   1.903
+ 1324SOL    HW1 5544   1.466   2.974   1.960
+ 1324SOL    HW2 5545   1.342   3.077   1.933
+ 1325SOL     OW 5546   0.297   1.897   2.033
+ 1325SOL    HW1 5547   0.346   1.981   2.012
+ 1325SOL    HW2 5548   0.359   1.832   2.078
+ 1326SOL     OW 5549   0.935   2.098   2.342
+ 1326SOL    HW1 5550   0.887   2.139   2.264
+ 1326SOL    HW2 5551   1.034   2.096   2.323
+ 1327SOL     OW 5552   1.076   2.545   3.326
+ 1327SOL    HW1 5553   0.996   2.484   3.329
+ 1327SOL    HW2 5554   1.157   2.492   3.302
+ 1328SOL     OW 5555   1.227   3.432   2.655
+ 1328SOL    HW1 5556   1.248   3.506   2.590
+ 1328SOL    HW2 5557   1.295   3.432   2.728
+ 1329SOL     OW 5558   0.459   3.014   2.603
+ 1329SOL    HW1 5559   0.388   2.987   2.668
+ 1329SOL    HW2 5560   0.433   2.986   2.510
+ 1330SOL     OW 5561   1.271   3.659   2.453
+ 1330SOL    HW1 5562   1.315   3.723   2.389
+ 1330SOL    HW2 5563   1.221   3.711   2.523
+ 1331SOL     OW 5564   1.032   2.411   1.878
+ 1331SOL    HW1 5565   0.991   2.493   1.839
+ 1331SOL    HW2 5566   1.096   2.437   1.951
+ 1332SOL     OW 5567   0.078   2.418   3.248
+ 1332SOL    HW1 5568   0.170   2.417   3.207
+ 1332SOL    HW2 5569   0.072   2.492   3.315
+ 1333SOL     OW 5570   0.561   2.084   3.009
+ 1333SOL    HW1 5571   0.599   2.000   3.046
+ 1333SOL    HW2 5572   0.473   2.103   3.053
+ 1334SOL     OW 5573   0.866   2.316   2.504
+ 1334SOL    HW1 5574   0.834   2.388   2.442
+ 1334SOL    HW2 5575   0.890   2.235   2.451
+ 1335SOL     OW 5576   1.017   1.901   2.615
+ 1335SOL    HW1 5577   0.945   1.906   2.546
+ 1335SOL    HW2 5578   0.993   1.832   2.684
+ 1336SOL     OW 5579   1.429   3.035   2.729
+ 1336SOL    HW1 5580   1.374   2.951   2.722
+ 1336SOL    HW2 5581   1.455   3.064   2.637
+ 1337SOL     OW 5582   1.466   2.452   2.854
+ 1337SOL    HW1 5583   1.436   2.357   2.861
+ 1337SOL    HW2 5584   1.539   2.468   2.920
+ 1338SOL     OW 5585   1.857   2.695   2.239
+ 1338SOL    HW1 5586   1.899   2.631   2.303
+ 1338SOL    HW2 5587   1.819   2.644   2.161
+ 1339SOL     OW 5588   0.488   3.247   2.036
+ 1339SOL    HW1 5589   0.401   3.232   2.083
+ 1339SOL    HW2 5590   0.471   3.273   1.941
+ 1340SOL     OW 5591   1.664   3.142   2.519
+ 1340SOL    HW1 5592   1.763   3.150   2.533
+ 1340SOL    HW2 5593   1.619   3.226   2.550
+ 1341SOL     OW 5594   1.390   2.437   1.940
+ 1341SOL    HW1 5595   1.336   2.416   2.021
+ 1341SOL    HW2 5596   1.481   2.396   1.949
+ 1342SOL     OW 5597   0.527   2.118   2.190
+ 1342SOL    HW1 5598   0.554   2.059   2.115
+ 1342SOL    HW2 5599   0.527   2.213   2.159
+ 1343SOL     OW 5600   1.754   3.085   3.450
+ 1343SOL    HW1 5601   1.845   3.046   3.437
+ 1343SOL    HW2 5602   1.762   3.181   3.474
+ 1344SOL     OW 5603   1.064   3.209   3.202
+ 1344SOL    HW1 5604   0.984   3.186   3.257
+ 1344SOL    HW2 5605   1.147   3.183   3.251
+ 1345SOL     OW 5606   1.592   3.491   3.487
+ 1345SOL    HW1 5607   1.619   3.525   3.397
+ 1345SOL    HW2 5608   1.671   3.453   3.533
+ 1346SOL     OW 5609   1.111   3.057   2.962
+ 1346SOL    HW1 5610   1.071   3.101   3.043
+ 1346SOL    HW2 5611   1.070   3.094   2.879
+ 1347SOL     OW 5612   1.638   2.961   2.941
+ 1347SOL    HW1 5613   1.643   3.042   3.000
+ 1347SOL    HW2 5614   1.552   2.963   2.890
+ 1348SOL     OW 5615   0.915   1.951   3.264
+ 1348SOL    HW1 5616   0.940   1.931   3.169
+ 1348SOL    HW2 5617   0.987   2.007   3.306
+ 1349SOL     OW 5618   0.980   2.978   3.581
+ 1349SOL    HW1 5619   0.881   2.984   3.591
+ 1349SOL    HW2 5620   1.003   2.898   3.525
+ 1350SOL     OW 5621   0.705   2.912   2.230
+ 1350SOL    HW1 5622   0.691   2.919   2.329
+ 1350SOL    HW2 5623   0.789   2.861   2.212
+ 1351SOL     OW 5624   0.410   2.675   3.113
+ 1351SOL    HW1 5625   0.496   2.687   3.163
+ 1351SOL    HW2 5626   0.368   2.588   3.140
+ 1352SOL     OW 5627   1.274   2.248   3.124
+ 1352SOL    HW1 5628   1.295   2.322   3.188
+ 1352SOL    HW2 5629   1.185   2.265   3.081
+ 1353SOL     OW 5630   0.064   3.426   3.193
+ 1353SOL    HW1 5631   0.018   3.508   3.159
+ 1353SOL    HW2 5632   0.162   3.445   3.202
+ 1354SOL     OW 5633   0.367   2.962   2.363
+ 1354SOL    HW1 5634   0.360   3.045   2.307
+ 1354SOL    HW2 5635   0.371   2.882   2.303
+ 1355SOL     OW 5636   0.566   2.399   2.727
+ 1355SOL    HW1 5637   0.578   2.465   2.653
+ 1355SOL    HW2 5638   0.612   2.433   2.810
+ 1356SOL     OW 5639   1.252   3.210   2.250
+ 1356SOL    HW1 5640   1.302   3.287   2.290
+ 1356SOL    HW2 5641   1.157   3.212   2.282
+ 1357SOL     OW 5642   1.272   3.307   3.004
+ 1357SOL    HW1 5643   1.319   3.320   3.091
+ 1357SOL    HW2 5644   1.206   3.233   3.013
+ 1358SOL     OW 5645   1.582   2.501   2.334
+ 1358SOL    HW1 5646   1.551   2.562   2.407
+ 1358SOL    HW2 5647   1.632   2.553   2.265
+ 1359SOL     OW 5648   0.354   3.372   3.191
+ 1359SOL    HW1 5649   0.333   3.328   3.104
+ 1359SOL    HW2 5650   0.451   3.398   3.194
+ 1360SOL     OW 5651   0.402   2.613   3.460
+ 1360SOL    HW1 5652   0.470   2.668   3.413
+ 1360SOL    HW2 5653   0.442   2.525   3.487
+ 1361SOL     OW 5654   1.587   2.641   3.532
+ 1361SOL    HW1 5655   1.495   2.679   3.527
+ 1361SOL    HW2 5656   1.647   2.688   3.467
+ 1362SOL     OW 5657   1.013   1.967   3.632
+ 1362SOL    HW1 5658   1.019   2.052   3.580
+ 1362SOL    HW2 5659   1.045   1.891   3.575
+ 1363SOL     OW 5660   0.504   1.912   3.602
+ 1363SOL    HW1 5661   0.462   1.855   3.532
+ 1363SOL    HW2 5662   0.438   1.981   3.634
+ 1364SOL     OW 5663   0.573   2.732   2.891
+ 1364SOL    HW1 5664   0.617   2.821   2.882
+ 1364SOL    HW2 5665   0.510   2.732   2.968
+ 1365SOL     OW 5666   1.360   2.724   2.907
+ 1365SOL    HW1 5667   1.285   2.724   2.841
+ 1365SOL    HW2 5668   1.397   2.632   2.916
+ 1366SOL     OW 5669   1.209   2.387   2.137
+ 1366SOL    HW1 5670   1.222   2.303   2.191
+ 1366SOL    HW2 5671   1.180   2.461   2.197
+ 1367SOL     OW 5672   0.307   2.075   3.093
+ 1367SOL    HW1 5673   0.284   2.112   3.183
+ 1367SOL    HW2 5674   0.277   1.980   3.087
+ 1368SOL     OW 5675   0.037   3.172   3.144
+ 1368SOL    HW1 5676   0.090   3.123   3.212
+ 1368SOL    HW2 5677   0.059   3.270   3.149
+ 1369SOL     OW 5678   0.732   2.496   2.926
+ 1369SOL    HW1 5679   0.791   2.470   2.850
+ 1369SOL    HW2 5680   0.704   2.592   2.915
+ 1370SOL     OW 5681   1.728   2.797   3.716
+ 1370SOL    HW1 5682   1.682   2.790   3.627
+ 1370SOL    HW2 5683   1.666   2.841   3.782
+ 1371SOL     OW 5684   0.307   1.925   2.480
+ 1371SOL    HW1 5685   0.296   2.019   2.513
+ 1371SOL    HW2 5686   0.302   1.862   2.557
+ 1372SOL     OW 5687   1.622   2.229   2.236
+ 1372SOL    HW1 5688   1.624   2.153   2.300
+ 1372SOL    HW2 5689   1.574   2.306   2.276
+ 1373SOL     OW 5690   1.023   2.628   2.828
+ 1373SOL    HW1 5691   1.038   2.649   2.924
+ 1373SOL    HW2 5692   0.993   2.533   2.819
+ 1374SOL     OW 5693   0.980   3.435   3.562
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+ 1374SOL    HW2 5695   1.019   3.344   3.546
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+ 1376SOL     OW 5699   0.350   2.760   3.666
+ 1376SOL    HW1 5700   0.426   2.804   3.714
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+ 1377SOL     OW 5702   1.540   2.136   1.987
+ 1377SOL    HW1 5703   1.479   2.061   2.010
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+ 1378SOL     OW 5705   1.303   2.700   1.904
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+ 1379SOL     OW 5708   1.068   3.195   2.711
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+ 1379SOL    HW2 5710   1.130   3.264   2.675
+ 1380SOL     OW 5711   0.319   2.672   2.811
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+ 1381SOL    HW1 5715   0.287   2.288   2.851
+ 1381SOL    HW2 5716   0.416   2.376   2.804
+ 1382SOL     OW 5717   1.138   2.242   3.540
+ 1382SOL    HW1 5718   1.093   2.305   3.604
+ 1382SOL    HW2 5719   1.231   2.273   3.523
+ 1383SOL     OW 5720   1.160   2.069   3.339
+ 1383SOL    HW1 5721   1.160   2.133   3.416
+ 1383SOL    HW2 5722   1.188   2.117   3.256
+ 1384SOL     OW 5723   0.008   3.188   2.062
+ 1384SOL    HW1 5724  -0.085   3.209   2.031
+ 1384SOL    HW2 5725   0.018   3.089   2.075
+ 1385SOL     OW 5726   0.088   3.663   2.789
+ 1385SOL    HW1 5727   0.046   3.577   2.762
+ 1385SOL    HW2 5728   0.182   3.666   2.755
+ 1386SOL     OW 5729   0.504   3.430   2.772
+ 1386SOL    HW1 5730   0.570   3.504   2.781
+ 1386SOL    HW2 5731   0.548   3.351   2.730
+ 1387SOL     OW 5732   1.002   2.658   3.100
+ 1387SOL    HW1 5733   1.043   2.626   3.186
+ 1387SOL    HW2 5734   0.906   2.631   3.097
+ 1388SOL     OW 5735   0.040   2.406   2.976
+ 1388SOL    HW1 5736   0.125   2.373   2.935
+ 1388SOL    HW2 5737   0.053   2.421   3.074
+ 1389SOL     OW 5738   0.189   2.382   3.584
+ 1389SOL    HW1 5739   0.248   2.342   3.514
+ 1389SOL    HW2 5740   0.131   2.453   3.543
+ 1390SOL     OW 5741   1.369   2.812   3.522
+ 1390SOL    HW1 5742   1.408   2.901   3.542
+ 1390SOL    HW2 5743   1.379   2.792   3.425
+ 1391SOL     OW 5744   0.815   2.434   2.187
+ 1391SOL    HW1 5745   0.822   2.345   2.141
+ 1391SOL    HW2 5746   0.721   2.468   2.179
+ 1392SOL     OW 5747   1.657   2.466   3.068
+ 1392SOL    HW1 5748   1.619   2.397   3.130
+ 1392SOL    HW2 5749   1.739   2.430   3.024
+ 1393SOL     OW 5750   0.252   3.426   3.606
+ 1393SOL    HW1 5751   0.222   3.483   3.682
+ 1393SOL    HW2 5752   0.245   3.329   3.632
+ 1394SOL     OW 5753   0.671   2.326   3.131
+ 1394SOL    HW1 5754   0.637   2.237   3.101
+ 1394SOL    HW2 5755   0.697   2.380   3.051
+ 1395SOL     OW 5756   0.930   3.540   3.327
+ 1395SOL    HW1 5757   0.906   3.522   3.232
+ 1395SOL    HW2 5758   0.960   3.634   3.337
+ 1396SOL     OW 5759   0.473   2.362   2.053
+ 1396SOL    HW1 5760   0.534   2.442   2.057
+ 1396SOL    HW2 5761   0.378   2.393   2.060
+ 1397SOL     OW 5762   0.159   2.999   3.328
+ 1397SOL    HW1 5763   0.181   2.938   3.404
+ 1397SOL    HW2 5764   0.169   2.950   3.242
+ 1398SOL     OW 5765   1.347   2.921   3.096
+ 1398SOL    HW1 5766   1.371   2.858   3.022
+ 1398SOL    HW2 5767   1.257   2.961   3.078
+ 1399SOL     OW 5768   1.302   2.717   2.171
+ 1399SOL    HW1 5769   1.216   2.686   2.213
+ 1399SOL    HW2 5770   1.298   2.703   2.072
+ 1400SOL     OW 5771   1.759   3.609   3.016
+ 1400SOL    HW1 5772   1.820   3.639   2.943
+ 1400SOL    HW2 5773   1.721   3.520   2.994
+ 1401SOL     OW 5774   1.252   3.593   2.990
+ 1401SOL    HW1 5775   1.336   3.598   2.936
+ 1401SOL    HW2 5776   1.229   3.497   3.008
+ 1402SOL     OW 5777   0.083   3.120   2.884
+ 1402SOL    HW1 5778   0.078   3.119   2.984
+ 1402SOL    HW2 5779   0.000   3.079   2.846
+ 1403SOL     OW 5780   0.688   3.524   3.578
+ 1403SOL    HW1 5781   0.632   3.605   3.587
+ 1403SOL    HW2 5782   0.740   3.528   3.492
+ 1404SOL     OW 5783   1.726   1.997   2.385
+ 1404SOL    HW1 5784   1.799   1.980   2.318
+ 1404SOL    HW2 5785   1.695   1.910   2.423
+ 1405SOL     OW 5786   1.388   3.435   2.339
+ 1405SOL    HW1 5787   1.455   3.447   2.265
+ 1405SOL    HW2 5788   1.348   3.524   2.362
+ 1406SOL     OW 5789   0.130   3.656   3.713
+ 1406SOL    HW1 5790   0.089   3.582   3.766
+ 1406SOL    HW2 5791   0.194   3.707   3.771
+ 1407SOL     OW 5792   1.280   2.789   2.534
+ 1407SOL    HW1 5793   1.340   2.708   2.536
+ 1407SOL    HW2 5794   1.320   2.858   2.474
+ 1408SOL     OW 5795   0.830   3.135   3.284
+ 1408SOL    HW1 5796   0.825   3.168   3.379
+ 1408SOL    HW2 5797   0.744   3.154   3.238
+ 1409SOL     OW 5798   0.672   3.478   2.016
+ 1409SOL    HW1 5799   0.681   3.488   1.917
+ 1409SOL    HW2 5800   0.632   3.389   2.037
+ 1410SOL     OW 5801   1.650   3.582   3.256
+ 1410SOL    HW1 5802   1.703   3.592   3.172
+ 1410SOL    HW2 5803   1.623   3.672   3.290
+ 1411SOL     OW 5804   1.841   2.037   2.825
+ 1411SOL    HW1 5805   1.880   1.952   2.789
+ 1411SOL    HW2 5806   1.743   2.039   2.806
+ 1412SOL     OW 5807   0.263   2.188   2.582
+ 1412SOL    HW1 5808   0.184   2.239   2.548
+ 1412SOL    HW2 5809   0.254   2.173   2.680
+ 1413SOL     OW 5810   1.194   3.474   1.893
+ 1413SOL    HW1 5811   1.200   3.381   1.930
+ 1413SOL    HW2 5812   1.135   3.474   1.813
+ 1414SOL     OW 5813   0.822   2.864   3.234
+ 1414SOL    HW1 5814   0.862   2.863   3.142
+ 1414SOL    HW2 5815   0.832   2.956   3.274
+ 1415SOL     OW 5816   0.916   2.772   2.153
+ 1415SOL    HW1 5817   0.979   2.810   2.085
+ 1415SOL    HW2 5818   0.956   2.689   2.192
+ 1416SOL     OW 5819   1.504   3.469   1.906
+ 1416SOL    HW1 5820   1.412   3.506   1.913
+ 1416SOL    HW2 5821   1.542   3.489   1.816
+ 1417SOL     OW 5822   0.372   3.150   3.352
+ 1417SOL    HW1 5823   0.359   3.243   3.318
+ 1417SOL    HW2 5824   0.288   3.098   3.339
+ 1418SOL     OW 5825   1.614   3.154   3.151
+ 1418SOL    HW1 5826   1.674   3.157   3.231
+ 1418SOL    HW2 5827   1.539   3.218   3.164
+ 1419SOL     OW 5828   1.039   2.960   2.558
+ 1419SOL    HW1 5829   0.969   2.913   2.612
+ 1419SOL    HW2 5830   1.098   2.892   2.515
+ 1420SOL     OW 5831   1.014   2.098   2.833
+ 1420SOL    HW1 5832   1.006   2.062   2.740
+ 1420SOL    HW2 5833   1.012   2.022   2.898
+ 1421SOL     OW 5834   0.590   3.349   2.353
+ 1421SOL    HW1 5835   0.632   3.291   2.283
+ 1421SOL    HW2 5836   0.546   3.428   2.309
+ 1422SOL     OW 5837   1.709   2.247   3.243
+ 1422SOL    HW1 5838   1.782   2.316   3.247
+ 1422SOL    HW2 5839   1.737   2.172   3.184
+ 1423SOL     OW 5840   0.255   3.210   2.152
+ 1423SOL    HW1 5841   0.159   3.211   2.125
+ 1423SOL    HW2 5842   0.267   3.263   2.236
+ 1424SOL     OW 5843   0.105   2.875   3.588
+ 1424SOL    HW1 5844   0.028   2.842   3.642
+ 1424SOL    HW2 5845   0.190   2.845   3.630
+ 1425SOL     OW 5846   0.672   2.065   3.351
+ 1425SOL    HW1 5847   0.762   2.049   3.311
+ 1425SOL    HW2 5848   0.680   2.070   3.450
+ 1426SOL     OW 5849   0.075   2.207   1.895
+ 1426SOL    HW1 5850  -0.017   2.179   1.866
+ 1426SOL    HW2 5851   0.106   2.284   1.839
+ 1427SOL     OW 5852   1.440   2.718   3.260
+ 1427SOL    HW1 5853   1.383   2.770   3.197
+ 1427SOL    HW2 5854   1.536   2.730   3.236
+ 1428SOL     OW 5855   0.072   2.028   2.180
+ 1428SOL    HW1 5856   0.055   2.111   2.126
+ 1428SOL    HW2 5857   0.162   1.991   2.158
+ 1429SOL     OW 5858   1.183   3.197   1.981
+ 1429SOL    HW1 5859   1.084   3.186   1.983
+ 1429SOL    HW2 5860   1.217   3.212   2.074
+ 1430SOL     OW 5861   0.613   2.704   3.293
+ 1430SOL    HW1 5862   0.669   2.785   3.276
+ 1430SOL    HW2 5863   0.672   2.624   3.296
+ 1431SOL     OW 5864   1.493   3.629   2.821
+ 1431SOL    HW1 5865   1.526   3.693   2.752
+ 1431SOL    HW2 5866   1.559   3.623   2.896
+ 1432SOL     OW 5867   0.716   2.427   3.570
+ 1432SOL    HW1 5868   0.735   2.492   3.644
+ 1432SOL    HW2 5869   0.776   2.347   3.579
+ 1433SOL     OW 5870   1.450   3.082   3.495
+ 1433SOL    HW1 5871   1.441   3.072   3.594
+ 1433SOL    HW2 5872   1.546   3.075   3.469
+ 1434SOL     OW 5873   0.390   3.603   3.422
+ 1434SOL    HW1 5874   0.299   3.644   3.420
+ 1434SOL    HW2 5875   0.383   3.509   3.454
+ 1435SOL     OW 5876   1.674   2.745   3.116
+ 1435SOL    HW1 5877   1.647   2.656   3.079
+ 1435SOL    HW2 5878   1.675   2.813   3.043
+ 1436SOL     OW 5879   1.225   2.187   2.311
+ 1436SOL    HW1 5880   1.290   2.113   2.300
+ 1436SOL    HW2 5881   1.245   2.237   2.395
+ 1437SOL     OW 5882   0.594   2.607   2.514
+ 1437SOL    HW1 5883   0.644   2.692   2.495
+ 1437SOL    HW2 5884   0.506   2.609   2.466
+ 1438SOL     OW 5885   1.777   2.204   3.504
+ 1438SOL    HW1 5886   1.760   2.235   3.410
+ 1438SOL    HW2 5887   1.693   2.167   3.542
+ 1439SOL     OW 5888   1.730   2.796   3.379
+ 1439SOL    HW1 5889   1.768   2.887   3.394
+ 1439SOL    HW2 5890   1.722   2.779   3.280
+ 1440SOL     OW 5891   0.859   3.236   1.878
+ 1440SOL    HW1 5892   0.813   3.251   1.966
+ 1440SOL    HW2 5893   0.903   3.321   1.848
+ 1441SOL     OW 5894   0.661   3.652   2.815
+ 1441SOL    HW1 5895   0.615   3.740   2.802
+ 1441SOL    HW2 5896   0.760   3.664   2.808
+ 1442SOL     OW 5897   0.859   2.818   2.723
+ 1442SOL    HW1 5898   0.913   2.749   2.771
+ 1442SOL    HW2 5899   0.827   2.887   2.789
+ 1443SOL     OW 5900   1.083   2.846   1.949
+ 1443SOL    HW1 5901   1.060   2.899   1.867
+ 1443SOL    HW2 5902   1.164   2.790   1.930
+ 1444SOL     OW 5903   1.861   3.431   2.713
+ 1444SOL    HW1 5904   1.790   3.419   2.643
+ 1444SOL    HW2 5905   1.862   3.352   2.773
+ 1445SOL     OW 5906   0.221   3.176   3.706
+ 1445SOL    HW1 5907   0.156   3.103   3.685
+ 1445SOL    HW2 5908   0.225   3.190   3.804
+ 1446SOL     OW 5909   0.079   3.102   2.515
+ 1446SOL    HW1 5910   0.078   3.055   2.603
+ 1446SOL    HW2 5911   0.161   3.074   2.464
+ 1447SOL     OW 5912   0.672   3.253   3.486
+ 1447SOL    HW1 5913   0.594   3.203   3.524
+ 1447SOL    HW2 5914   0.669   3.348   3.517
+ 1448SOL     OW 5915   1.824   2.054   3.089
+ 1448SOL    HW1 5916   1.820   1.964   3.133
+ 1448SOL    HW2 5917   1.827   2.043   2.990
+ 1449SOL     OW 5918   0.428   2.286   2.382
+ 1449SOL    HW1 5919   0.458   2.214   2.320
+ 1449SOL    HW2 5920   0.389   2.246   2.465
+ 1450SOL     OW 5921   1.705   3.349   2.966
+ 1450SOL    HW1 5922   1.612   3.324   2.939
+ 1450SOL    HW2 5923   1.731   3.299   3.048
+ 1451SOL     OW 5924   0.317   2.409   3.142
+ 1451SOL    HW1 5925   0.355   2.350   3.214
+ 1451SOL    HW2 5926   0.357   2.383   3.054
+ 1452SOL     OW 5927   0.812   3.448   2.549
+ 1452SOL    HW1 5928   0.844   3.458   2.455
+ 1452SOL    HW2 5929   0.733   3.386   2.551
+ 1453SOL     OW 5930   1.424   2.076   2.974
+ 1453SOL    HW1 5931   1.476   2.011   3.029
+ 1453SOL    HW2 5932   1.375   2.139   3.035
+ 1454SOL     OW 5933   1.001   1.896   3.016
+ 1454SOL    HW1 5934   0.938   1.824   2.985
+ 1454SOL    HW2 5935   1.094   1.860   3.016
+ 1455SOL     OW 5936   0.770   3.192   2.163
+ 1455SOL    HW1 5937   0.724   3.105   2.180
+ 1455SOL    HW2 5938   0.861   3.189   2.204
+ 1456SOL     OW 5939   0.618   3.429   3.146
+ 1456SOL    HW1 5940   0.613   3.511   3.203
+ 1456SOL    HW2 5941   0.707   3.426   3.101
+ 1457SOL     OW 5942   1.352   1.914   2.030
+ 1457SOL    HW1 5943   1.387   1.873   1.946
+ 1457SOL    HW2 5944   1.262   1.876   2.050
+ 1458SOL     OW 5945   1.300   2.315   2.553
+ 1458SOL    HW1 5946   1.241   2.395   2.557
+ 1458SOL    HW2 5947   1.315   2.280   2.646
+ 1459SOL     OW 5948   1.593   2.083   2.744
+ 1459SOL    HW1 5949   1.509   2.082   2.798
+ 1459SOL    HW2 5950   1.595   2.166   2.688
+ 1460SOL     OW 5951   0.039   2.939   2.162
+ 1460SOL    HW1 5952   0.138   2.928   2.153
+ 1460SOL    HW2 5953  -0.001   2.853   2.194
+ 1461SOL     OW 5954   0.875   3.508   2.199
+ 1461SOL    HW1 5955   0.798   3.473   2.145
+ 1461SOL    HW2 5956   0.843   3.579   2.261
+ 1462SOL     OW 5957   0.230   2.490   3.837
+ 1462SOL    HW1 5958   0.137   2.488   3.874
+ 1462SOL    HW2 5959   0.231   2.451   3.745
+ 1463SOL     OW 5960   0.225   2.137   4.720
+ 1463SOL    HW1 5961   0.260   2.120   4.812
+ 1463SOL    HW2 5962   0.137   2.092   4.708
+ 1464SOL     OW 5963   0.019   2.230   4.371
+ 1464SOL    HW1 5964  -0.063   2.273   4.410
+ 1464SOL    HW2 5965  -0.009   2.157   4.308
+ 1465SOL     OW 5966   0.569   3.137   4.889
+ 1465SOL    HW1 5967   0.476   3.130   4.852
+ 1465SOL    HW2 5968   0.580   3.226   4.933
+ 1466SOL     OW 5969   1.555   3.373   4.427
+ 1466SOL    HW1 5970   1.498   3.357   4.508
+ 1466SOL    HW2 5971   1.496   3.383   4.347
+ 1467SOL     OW 5972   1.135   2.565   4.441
+ 1467SOL    HW1 5973   1.192   2.643   4.416
+ 1467SOL    HW2 5974   1.075   2.591   4.517
+ 1468SOL     OW 5975   1.755   2.469   3.955
+ 1468SOL    HW1 5976   1.743   2.456   3.856
+ 1468SOL    HW2 5977   1.725   2.388   4.004
+ 1469SOL     OW 5978   0.768   3.006   4.747
+ 1469SOL    HW1 5979   0.690   3.023   4.807
+ 1469SOL    HW2 5980   0.802   3.093   4.711
+ 1470SOL     OW 5981   0.850   2.660   5.547
+ 1470SOL    HW1 5982   0.846   2.736   5.612
+ 1470SOL    HW2 5983   0.872   2.696   5.456
+ 1471SOL     OW 5984   0.685   2.874   4.389
+ 1471SOL    HW1 5985   0.754   2.858   4.459
+ 1471SOL    HW2 5986   0.612   2.931   4.427
+ 1472SOL     OW 5987   0.686   3.023   5.527
+ 1472SOL    HW1 5988   0.746   3.102   5.541
+ 1472SOL    HW2 5989   0.600   3.054   5.486
+ 1473SOL     OW 5990   0.335   3.297   4.785
+ 1473SOL    HW1 5991   0.257   3.266   4.732
+ 1473SOL    HW2 5992   0.393   3.355   4.728
+ 1474SOL     OW 5993   1.460   3.367   5.063
+ 1474SOL    HW1 5994   1.484   3.461   5.089
+ 1474SOL    HW2 5995   1.444   3.313   5.145
+ 1475SOL     OW 5996   0.438   2.254   5.223
+ 1475SOL    HW1 5997   0.520   2.198   5.232
+ 1475SOL    HW2 5998   0.357   2.196   5.227
+ 1476SOL     OW 5999   1.603   2.309   4.461
+ 1476SOL    HW1 6000   1.529   2.355   4.411
+ 1476SOL    HW2 6001   1.654   2.377   4.514
+ 1477SOL     OW 6002   0.231   3.575   4.207
+ 1477SOL    HW1 6003   0.265   3.652   4.261
+ 1477SOL    HW2 6004   0.275   3.575   4.117
+ 1478SOL     OW 6005   1.127   3.203   5.414
+ 1478SOL    HW1 6006   1.174   3.203   5.502
+ 1478SOL    HW2 6007   1.079   3.116   5.403
+ 1479SOL     OW 6008   0.230   3.296   4.262
+ 1479SOL    HW1 6009   0.204   3.392   4.262
+ 1479SOL    HW2 6010   0.159   3.242   4.307
+ 1480SOL     OW 6011   0.240   2.953   4.610
+ 1480SOL    HW1 6012   0.254   2.869   4.662
+ 1480SOL    HW2 6013   0.185   3.017   4.665
+ 1481SOL     OW 6014   0.620   3.648   5.163
+ 1481SOL    HW1 6015   0.528   3.631   5.198
+ 1481SOL    HW2 6016   0.648   3.740   5.189
+ 1482SOL     OW 6017   0.606   2.826   3.847
+ 1482SOL    HW1 6018   0.613   2.910   3.793
+ 1482SOL    HW2 6019   0.652   2.839   3.935
+ 1483SOL     OW 6020   1.594   1.976   5.204
+ 1483SOL    HW1 6021   1.576   2.043   5.132
+ 1483SOL    HW2 6022   1.591   2.022   5.293
+ 1484SOL     OW 6023   0.122   2.505   4.287
+ 1484SOL    HW1 6024   0.077   2.417   4.304
+ 1484SOL    HW2 6025   0.121   2.559   4.371
+ 1485SOL     OW 6026   0.027   3.458   3.841
+ 1485SOL    HW1 6027   0.008   3.362   3.862
+ 1485SOL    HW2 6028  -0.006   3.516   3.916
+ 1486SOL     OW 6029   1.689   2.784   4.336
+ 1486SOL    HW1 6030   1.784   2.755   4.344
+ 1486SOL    HW2 6031   1.681   2.849   4.261
+ 1487SOL     OW 6032   1.641   2.970   4.156
+ 1487SOL    HW1 6033   1.727   2.972   4.104
+ 1487SOL    HW2 6034   1.655   3.017   4.244
+ 1488SOL     OW 6035   0.113   2.599   5.321
+ 1488SOL    HW1 6036   0.201   2.586   5.366
+ 1488SOL    HW2 6037   0.100   2.696   5.299
+ 1489SOL     OW 6038   0.613   3.227   4.450
+ 1489SOL    HW1 6039   0.564   3.140   4.459
+ 1489SOL    HW2 6040   0.590   3.270   4.363
+ 1490SOL     OW 6041   1.293   3.090   5.147
+ 1490SOL    HW1 6042   1.330   3.017   5.089
+ 1490SOL    HW2 6043   1.345   3.095   5.232
+ 1491SOL     OW 6044   0.809   1.866   4.226
+ 1491SOL    HW1 6045   0.849   1.957   4.217
+ 1491SOL    HW2 6046   0.709   1.874   4.232
+ 1492SOL     OW 6047   0.197   2.838   4.988
+ 1492SOL    HW1 6048   0.286   2.793   4.974
+ 1492SOL    HW2 6049   0.124   2.773   4.969
+ 1493SOL     OW 6050   1.525   2.861   3.914
+ 1493SOL    HW1 6051   1.462   2.785   3.927
+ 1493SOL    HW2 6052   1.573   2.879   4.000
+ 1494SOL     OW 6053   1.187   3.654   5.340
+ 1494SOL    HW1 6054   1.211   3.714   5.264
+ 1494SOL    HW2 6055   1.194   3.559   5.310
+ 1495SOL     OW 6056   0.317   2.113   5.525
+ 1495SOL    HW1 6057   0.388   2.184   5.531
+ 1495SOL    HW2 6058   0.229   2.152   5.553
+ 1496SOL     OW 6059   1.466   3.279   4.677
+ 1496SOL    HW1 6060   1.407   3.285   4.757
+ 1496SOL    HW2 6061   1.451   3.191   4.631
+ 1497SOL     OW 6062   1.667   3.576   4.296
+ 1497SOL    HW1 6063   1.626   3.553   4.208
+ 1497SOL    HW2 6064   1.649   3.502   4.361
+ 1498SOL     OW 6065   0.598   2.591   3.994
+ 1498SOL    HW1 6066   0.622   2.660   3.926
+ 1498SOL    HW2 6067   0.520   2.624   4.048
+ 1499SOL     OW 6068   1.281   2.207   4.668
+ 1499SOL    HW1 6069   1.195   2.157   4.655
+ 1499SOL    HW2 6070   1.343   2.153   4.724
+ 1500SOL     OW 6071   1.576   3.524   4.031
+ 1500SOL    HW1 6072   1.665   3.570   4.034
+ 1500SOL    HW2 6073   1.555   3.500   3.936
+ 1501SOL     OW 6074   0.807   2.467   5.189
+ 1501SOL    HW1 6075   0.760   2.464   5.278
+ 1501SOL    HW2 6076   0.756   2.412   5.123
+ 1502SOL     OW 6077   1.394   2.331   5.398
+ 1502SOL    HW1 6078   1.374   2.374   5.486
+ 1502SOL    HW2 6079   1.472   2.269   5.407
+ 1503SOL     OW 6080   0.973   2.752   5.296
+ 1503SOL    HW1 6081   1.019   2.668   5.267
+ 1503SOL    HW2 6082   0.917   2.786   5.221
+ 1504SOL     OW 6083   0.991   2.272   4.966
+ 1504SOL    HW1 6084   0.914   2.306   5.020
+ 1504SOL    HW2 6085   0.957   2.221   4.887
+ 1505SOL     OW 6086   1.041   2.563   4.153
+ 1505SOL    HW1 6087   1.067   2.559   4.249
+ 1505SOL    HW2 6088   0.956   2.512   4.139
+ 1506SOL     OW 6089   0.076   2.673   4.513
+ 1506SOL    HW1 6090   0.175   2.661   4.522
+ 1506SOL    HW2 6091   0.052   2.768   4.534
+ 1507SOL     OW 6092   0.130   3.683   5.295
+ 1507SOL    HW1 6093   0.120   3.668   5.394
+ 1507SOL    HW2 6094   0.044   3.719   5.259
+ 1508SOL     OW 6095   0.865   2.210   3.919
+ 1508SOL    HW1 6096   0.924   2.273   3.870
+ 1508SOL    HW2 6097   0.884   2.116   3.890
+ 1509SOL     OW 6098   1.719   2.447   5.555
+ 1509SOL    HW1 6099   1.693   2.536   5.519
+ 1509SOL    HW2 6100   1.717   2.379   5.482
+ 1510SOL     OW 6101   1.362   3.006   4.269
+ 1510SOL    HW1 6102   1.445   2.977   4.221
+ 1510SOL    HW2 6103   1.313   3.073   4.213
+ 1511SOL     OW 6104   0.550   2.058   4.609
+ 1511SOL    HW1 6105   0.545   2.053   4.709
+ 1511SOL    HW2 6106   0.552   2.154   4.580
+ 1512SOL     OW 6107   1.008   3.318   4.201
+ 1512SOL    HW1 6108   0.962   3.390   4.149
+ 1512SOL    HW2 6109   1.004   3.338   4.299
+ 1513SOL     OW 6110   0.351   3.663   4.577
+ 1513SOL    HW1 6111   0.401   3.577   4.583
+ 1513SOL    HW2 6112   0.416   3.740   4.574
+ 1514SOL     OW 6113   1.795   2.928   4.597
+ 1514SOL    HW1 6114   1.733   2.913   4.521
+ 1514SOL    HW2 6115   1.743   2.939   4.682
+ 1515SOL     OW 6116   1.227   3.412   5.230
+ 1515SOL    HW1 6117   1.233   3.335   5.294
+ 1515SOL    HW2 6118   1.175   3.386   5.150
+ 1516SOL     OW 6119   0.321   2.805   3.966
+ 1516SOL    HW1 6120   0.403   2.844   3.924
+ 1516SOL    HW2 6121   0.294   2.723   3.917
+ 1517SOL     OW 6122   1.458   2.597   4.452
+ 1517SOL    HW1 6123   1.453   2.532   4.527
+ 1517SOL    HW2 6124   1.538   2.656   4.465
+ 1518SOL     OW 6125   0.461   3.128   5.451
+ 1518SOL    HW1 6126   0.411   3.129   5.365
+ 1518SOL    HW2 6127   0.398   3.110   5.527
+ 1519SOL     OW 6128   1.111   3.638   3.961
+ 1519SOL    HW1 6129   1.051   3.576   4.011
+ 1519SOL    HW2 6130   1.142   3.594   3.876
+ 1520SOL     OW 6131   0.202   2.147   5.222
+ 1520SOL    HW1 6132   0.122   2.207   5.209
+ 1520SOL    HW2 6133   0.192   2.098   5.308
+ 1521SOL     OW 6134   1.632   3.239   3.805
+ 1521SOL    HW1 6135   1.600   3.333   3.795
+ 1521SOL    HW2 6136   1.556   3.176   3.793
+ 1522SOL     OW 6137   0.464   3.605   4.047
+ 1522SOL    HW1 6138   0.497   3.644   4.133
+ 1522SOL    HW2 6139   0.540   3.598   3.982
+ 1523SOL     OW 6140   1.400   1.969   4.150
+ 1523SOL    HW1 6141   1.376   1.932   4.060
+ 1523SOL    HW2 6142   1.499   1.985   4.154
+ 1524SOL     OW 6143   0.249   3.647   4.965
+ 1524SOL    HW1 6144   0.306   3.582   5.015
+ 1524SOL    HW2 6145   0.233   3.614   4.872
+ 1525SOL     OW 6146   0.940   3.560   4.628
+ 1525SOL    HW1 6147   1.020   3.503   4.649
+ 1525SOL    HW2 6148   0.891   3.520   4.551
+ 1526SOL     OW 6149   0.382   2.562   4.204
+ 1526SOL    HW1 6150   0.427   2.472   4.201
+ 1526SOL    HW2 6151   0.288   2.551   4.237
+ 1527SOL     OW 6152   1.547   2.084   5.453
+ 1527SOL    HW1 6153   1.542   2.121   5.545
+ 1527SOL    HW2 6154   1.475   2.015   5.441
+ 1528SOL     OW 6155   0.614   1.984   3.841
+ 1528SOL    HW1 6156   0.712   1.962   3.848
+ 1528SOL    HW2 6157   0.583   1.967   3.748
+ 1529SOL     OW 6158   0.781   2.126   5.473
+ 1529SOL    HW1 6159   0.848   2.065   5.516
+ 1529SOL    HW2 6160   0.708   2.145   5.538
+ 1530SOL     OW 6161   0.888   3.376   4.919
+ 1530SOL    HW1 6162   0.865   3.351   4.825
+ 1530SOL    HW2 6163   0.949   3.307   4.958
+ 1531SOL     OW 6164   1.351   2.452   5.157
+ 1531SOL    HW1 6165   1.379   2.409   5.242
+ 1531SOL    HW2 6166   1.376   2.548   5.158
+ 1532SOL     OW 6167   0.803   3.264   4.648
+ 1532SOL    HW1 6168   0.893   3.278   4.606
+ 1532SOL    HW2 6169   0.732   3.266   4.577
+ 1533SOL     OW 6170   0.922   2.365   4.623
+ 1533SOL    HW1 6171   0.897   2.356   4.527
+ 1533SOL    HW2 6172   0.970   2.283   4.654
+ 1534SOL     OW 6173   0.539   1.926   4.236
+ 1534SOL    HW1 6174   0.458   1.927   4.294
+ 1534SOL    HW2 6175   0.542   2.009   4.181
+ 1535SOL     OW 6176   1.434   3.050   3.765
+ 1535SOL    HW1 6177   1.466   2.974   3.822
+ 1535SOL    HW2 6178   1.342   3.077   3.795
+ 1536SOL     OW 6179   0.297   1.897   3.895
+ 1536SOL    HW1 6180   0.346   1.981   3.874
+ 1536SOL    HW2 6181   0.359   1.832   3.940
+ 1537SOL     OW 6182   0.935   2.098   4.204
+ 1537SOL    HW1 6183   0.887   2.139   4.126
+ 1537SOL    HW2 6184   1.034   2.096   4.185
+ 1538SOL     OW 6185   1.076   2.545   5.188
+ 1538SOL    HW1 6186   0.996   2.484   5.191
+ 1538SOL    HW2 6187   1.157   2.492   5.164
+ 1539SOL     OW 6188   1.227   3.432   4.517
+ 1539SOL    HW1 6189   1.248   3.506   4.452
+ 1539SOL    HW2 6190   1.295   3.432   4.590
+ 1540SOL     OW 6191   0.459   3.014   4.465
+ 1540SOL    HW1 6192   0.388   2.987   4.530
+ 1540SOL    HW2 6193   0.433   2.986   4.372
+ 1541SOL     OW 6194   1.271   3.659   4.315
+ 1541SOL    HW1 6195   1.315   3.723   4.251
+ 1541SOL    HW2 6196   1.221   3.711   4.385
+ 1542SOL     OW 6197   1.032   2.411   3.740
+ 1542SOL    HW1 6198   0.991   2.493   3.701
+ 1542SOL    HW2 6199   1.096   2.437   3.813
+ 1543SOL     OW 6200   0.078   2.418   5.110
+ 1543SOL    HW1 6201   0.170   2.417   5.069
+ 1543SOL    HW2 6202   0.072   2.492   5.177
+ 1544SOL     OW 6203   0.561   2.084   4.871
+ 1544SOL    HW1 6204   0.599   2.000   4.908
+ 1544SOL    HW2 6205   0.473   2.103   4.915
+ 1545SOL     OW 6206   0.866   2.316   4.366
+ 1545SOL    HW1 6207   0.834   2.388   4.304
+ 1545SOL    HW2 6208   0.890   2.235   4.313
+ 1546SOL     OW 6209   1.017   1.901   4.477
+ 1546SOL    HW1 6210   0.945   1.906   4.408
+ 1546SOL    HW2 6211   0.993   1.832   4.546
+ 1547SOL     OW 6212   1.429   3.035   4.591
+ 1547SOL    HW1 6213   1.374   2.951   4.584
+ 1547SOL    HW2 6214   1.455   3.064   4.499
+ 1548SOL     OW 6215   1.466   2.452   4.716
+ 1548SOL    HW1 6216   1.436   2.357   4.723
+ 1548SOL    HW2 6217   1.539   2.468   4.782
+ 1549SOL     OW 6218   1.857   2.695   4.101
+ 1549SOL    HW1 6219   1.899   2.631   4.165
+ 1549SOL    HW2 6220   1.819   2.644   4.023
+ 1550SOL     OW 6221   0.488   3.247   3.898
+ 1550SOL    HW1 6222   0.401   3.232   3.945
+ 1550SOL    HW2 6223   0.471   3.273   3.803
+ 1551SOL     OW 6224   1.664   3.142   4.381
+ 1551SOL    HW1 6225   1.763   3.150   4.395
+ 1551SOL    HW2 6226   1.619   3.226   4.412
+ 1552SOL     OW 6227   1.390   2.437   3.802
+ 1552SOL    HW1 6228   1.336   2.416   3.883
+ 1552SOL    HW2 6229   1.481   2.396   3.811
+ 1553SOL     OW 6230   0.527   2.118   4.052
+ 1553SOL    HW1 6231   0.554   2.059   3.977
+ 1553SOL    HW2 6232   0.527   2.213   4.021
+ 1554SOL     OW 6233   1.754   3.085   5.312
+ 1554SOL    HW1 6234   1.845   3.046   5.299
+ 1554SOL    HW2 6235   1.762   3.181   5.336
+ 1555SOL     OW 6236   1.064   3.209   5.064
+ 1555SOL    HW1 6237   0.984   3.186   5.119
+ 1555SOL    HW2 6238   1.147   3.183   5.113
+ 1556SOL     OW 6239   1.592   3.491   5.349
+ 1556SOL    HW1 6240   1.619   3.525   5.259
+ 1556SOL    HW2 6241   1.671   3.453   5.395
+ 1557SOL     OW 6242   1.111   3.057   4.824
+ 1557SOL    HW1 6243   1.071   3.101   4.905
+ 1557SOL    HW2 6244   1.070   3.094   4.741
+ 1558SOL     OW 6245   1.638   2.961   4.803
+ 1558SOL    HW1 6246   1.643   3.042   4.862
+ 1558SOL    HW2 6247   1.552   2.963   4.752
+ 1559SOL     OW 6248   0.915   1.951   5.126
+ 1559SOL    HW1 6249   0.940   1.931   5.031
+ 1559SOL    HW2 6250   0.987   2.007   5.168
+ 1560SOL     OW 6251   0.980   2.978   5.443
+ 1560SOL    HW1 6252   0.881   2.984   5.453
+ 1560SOL    HW2 6253   1.003   2.898   5.387
+ 1561SOL     OW 6254   0.705   2.912   4.092
+ 1561SOL    HW1 6255   0.691   2.919   4.191
+ 1561SOL    HW2 6256   0.789   2.861   4.074
+ 1562SOL     OW 6257   0.410   2.675   4.975
+ 1562SOL    HW1 6258   0.496   2.687   5.025
+ 1562SOL    HW2 6259   0.368   2.588   5.002
+ 1563SOL     OW 6260   1.274   2.248   4.986
+ 1563SOL    HW1 6261   1.295   2.322   5.050
+ 1563SOL    HW2 6262   1.185   2.265   4.943
+ 1564SOL     OW 6263   0.064   3.426   5.055
+ 1564SOL    HW1 6264   0.018   3.508   5.021
+ 1564SOL    HW2 6265   0.162   3.445   5.064
+ 1565SOL     OW 6266   0.367   2.962   4.225
+ 1565SOL    HW1 6267   0.360   3.045   4.169
+ 1565SOL    HW2 6268   0.371   2.882   4.165
+ 1566SOL     OW 6269   0.566   2.399   4.589
+ 1566SOL    HW1 6270   0.578   2.465   4.515
+ 1566SOL    HW2 6271   0.612   2.433   4.672
+ 1567SOL     OW 6272   1.252   3.210   4.112
+ 1567SOL    HW1 6273   1.302   3.287   4.152
+ 1567SOL    HW2 6274   1.157   3.212   4.144
+ 1568SOL     OW 6275   1.272   3.307   4.866
+ 1568SOL    HW1 6276   1.319   3.320   4.953
+ 1568SOL    HW2 6277   1.206   3.233   4.875
+ 1569SOL     OW 6278   1.582   2.501   4.196
+ 1569SOL    HW1 6279   1.551   2.562   4.269
+ 1569SOL    HW2 6280   1.632   2.553   4.127
+ 1570SOL     OW 6281   0.354   3.372   5.053
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+ 1571SOL     OW 6284   0.402   2.613   5.322
+ 1571SOL    HW1 6285   0.470   2.668   5.275
+ 1571SOL    HW2 6286   0.442   2.525   5.349
+ 1572SOL     OW 6287   1.587   2.641   5.394
+ 1572SOL    HW1 6288   1.495   2.679   5.389
+ 1572SOL    HW2 6289   1.647   2.688   5.329
+ 1573SOL     OW 6290   1.013   1.967   5.494
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+ 1573SOL    HW2 6292   1.045   1.891   5.437
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+ 1575SOL     OW 6296   0.573   2.732   4.753
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+ 1579SOL    HW1 6309   0.090   3.123   5.074
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+ 1626SOL    HW2 6451   0.956   2.689   4.054
+ 1627SOL     OW 6452   1.504   3.469   3.768
+ 1627SOL    HW1 6453   1.412   3.506   3.775
+ 1627SOL    HW2 6454   1.542   3.489   3.678
+ 1628SOL     OW 6455   0.372   3.150   5.214
+ 1628SOL    HW1 6456   0.359   3.243   5.180
+ 1628SOL    HW2 6457   0.288   3.098   5.201
+ 1629SOL     OW 6458   1.614   3.154   5.013
+ 1629SOL    HW1 6459   1.674   3.157   5.093
+ 1629SOL    HW2 6460   1.539   3.218   5.026
+ 1630SOL     OW 6461   1.039   2.960   4.420
+ 1630SOL    HW1 6462   0.969   2.913   4.474
+ 1630SOL    HW2 6463   1.098   2.892   4.377
+ 1631SOL     OW 6464   1.014   2.098   4.695
+ 1631SOL    HW1 6465   1.006   2.062   4.602
+ 1631SOL    HW2 6466   1.012   2.022   4.760
+ 1632SOL     OW 6467   0.590   3.349   4.215
+ 1632SOL    HW1 6468   0.632   3.291   4.145
+ 1632SOL    HW2 6469   0.546   3.428   4.171
+ 1633SOL     OW 6470   1.709   2.247   5.105
+ 1633SOL    HW1 6471   1.782   2.316   5.109
+ 1633SOL    HW2 6472   1.737   2.172   5.046
+ 1634SOL     OW 6473   0.255   3.210   4.014
+ 1634SOL    HW1 6474   0.159   3.211   3.987
+ 1634SOL    HW2 6475   0.267   3.263   4.098
+ 1635SOL     OW 6476   0.105   2.875   5.450
+ 1635SOL    HW1 6477   0.028   2.842   5.504
+ 1635SOL    HW2 6478   0.190   2.845   5.492
+ 1636SOL     OW 6479   0.672   2.065   5.213
+ 1636SOL    HW1 6480   0.762   2.049   5.173
+ 1636SOL    HW2 6481   0.680   2.070   5.312
+ 1637SOL     OW 6482   0.075   2.207   3.757
+ 1637SOL    HW1 6483  -0.017   2.179   3.728
+ 1637SOL    HW2 6484   0.106   2.284   3.701
+ 1638SOL     OW 6485   1.440   2.718   5.122
+ 1638SOL    HW1 6486   1.383   2.770   5.059
+ 1638SOL    HW2 6487   1.536   2.730   5.098
+ 1639SOL     OW 6488   0.072   2.028   4.042
+ 1639SOL    HW1 6489   0.055   2.111   3.988
+ 1639SOL    HW2 6490   0.162   1.991   4.020
+ 1640SOL     OW 6491   1.183   3.197   3.843
+ 1640SOL    HW1 6492   1.084   3.186   3.845
+ 1640SOL    HW2 6493   1.217   3.212   3.936
+ 1641SOL     OW 6494   0.613   2.704   5.155
+ 1641SOL    HW1 6495   0.669   2.785   5.138
+ 1641SOL    HW2 6496   0.672   2.624   5.158
+ 1642SOL     OW 6497   1.493   3.629   4.683
+ 1642SOL    HW1 6498   1.526   3.693   4.614
+ 1642SOL    HW2 6499   1.559   3.623   4.758
+ 1643SOL     OW 6500   0.716   2.427   5.432
+ 1643SOL    HW1 6501   0.735   2.492   5.506
+ 1643SOL    HW2 6502   0.776   2.347   5.441
+ 1644SOL     OW 6503   1.450   3.082   5.357
+ 1644SOL    HW1 6504   1.441   3.072   5.456
+ 1644SOL    HW2 6505   1.546   3.075   5.331
+ 1645SOL     OW 6506   0.390   3.603   5.284
+ 1645SOL    HW1 6507   0.299   3.644   5.282
+ 1645SOL    HW2 6508   0.383   3.509   5.316
+ 1646SOL     OW 6509   1.674   2.745   4.978
+ 1646SOL    HW1 6510   1.647   2.656   4.941
+ 1646SOL    HW2 6511   1.675   2.813   4.905
+ 1647SOL     OW 6512   1.225   2.187   4.173
+ 1647SOL    HW1 6513   1.290   2.113   4.162
+ 1647SOL    HW2 6514   1.245   2.237   4.257
+ 1648SOL     OW 6515   0.594   2.607   4.376
+ 1648SOL    HW1 6516   0.644   2.692   4.357
+ 1648SOL    HW2 6517   0.506   2.609   4.328
+ 1649SOL     OW 6518   1.777   2.204   5.366
+ 1649SOL    HW1 6519   1.760   2.235   5.272
+ 1649SOL    HW2 6520   1.693   2.167   5.404
+ 1650SOL     OW 6521   1.730   2.796   5.241
+ 1650SOL    HW1 6522   1.768   2.887   5.256
+ 1650SOL    HW2 6523   1.722   2.779   5.142
+ 1651SOL     OW 6524   0.859   3.236   3.740
+ 1651SOL    HW1 6525   0.813   3.251   3.828
+ 1651SOL    HW2 6526   0.903   3.321   3.710
+ 1652SOL     OW 6527   0.661   3.652   4.677
+ 1652SOL    HW1 6528   0.615   3.740   4.664
+ 1652SOL    HW2 6529   0.760   3.664   4.670
+ 1653SOL     OW 6530   0.859   2.818   4.585
+ 1653SOL    HW1 6531   0.913   2.749   4.633
+ 1653SOL    HW2 6532   0.827   2.887   4.651
+ 1654SOL     OW 6533   1.083   2.846   3.811
+ 1654SOL    HW1 6534   1.060   2.899   3.729
+ 1654SOL    HW2 6535   1.164   2.790   3.792
+ 1655SOL     OW 6536   1.861   3.431   4.575
+ 1655SOL    HW1 6537   1.790   3.419   4.505
+ 1655SOL    HW2 6538   1.862   3.352   4.635
+ 1656SOL     OW 6539   0.221   3.176   5.568
+ 1656SOL    HW1 6540   0.156   3.103   5.547
+ 1656SOL    HW2 6541   0.225   3.190   5.666
+ 1657SOL     OW 6542   0.079   3.102   4.377
+ 1657SOL    HW1 6543   0.078   3.055   4.465
+ 1657SOL    HW2 6544   0.161   3.074   4.326
+ 1658SOL     OW 6545   0.672   3.253   5.348
+ 1658SOL    HW1 6546   0.594   3.203   5.386
+ 1658SOL    HW2 6547   0.669   3.348   5.379
+ 1659SOL     OW 6548   1.824   2.054   4.951
+ 1659SOL    HW1 6549   1.820   1.964   4.995
+ 1659SOL    HW2 6550   1.827   2.043   4.852
+ 1660SOL     OW 6551   0.428   2.286   4.244
+ 1660SOL    HW1 6552   0.458   2.214   4.182
+ 1660SOL    HW2 6553   0.389   2.246   4.327
+ 1661SOL     OW 6554   1.705   3.349   4.828
+ 1661SOL    HW1 6555   1.612   3.324   4.801
+ 1661SOL    HW2 6556   1.731   3.299   4.910
+ 1662SOL     OW 6557   0.317   2.409   5.004
+ 1662SOL    HW1 6558   0.355   2.350   5.076
+ 1662SOL    HW2 6559   0.357   2.383   4.916
+ 1663SOL     OW 6560   0.812   3.448   4.411
+ 1663SOL    HW1 6561   0.844   3.458   4.317
+ 1663SOL    HW2 6562   0.733   3.386   4.413
+ 1664SOL     OW 6563   1.424   2.076   4.836
+ 1664SOL    HW1 6564   1.476   2.011   4.891
+ 1664SOL    HW2 6565   1.375   2.139   4.897
+ 1665SOL     OW 6566   1.001   1.896   4.878
+ 1665SOL    HW1 6567   0.938   1.824   4.847
+ 1665SOL    HW2 6568   1.094   1.860   4.878
+ 1666SOL     OW 6569   0.770   3.192   4.025
+ 1666SOL    HW1 6570   0.724   3.105   4.042
+ 1666SOL    HW2 6571   0.861   3.189   4.066
+ 1667SOL     OW 6572   0.618   3.429   5.008
+ 1667SOL    HW1 6573   0.613   3.511   5.065
+ 1667SOL    HW2 6574   0.707   3.426   4.963
+ 1668SOL     OW 6575   1.352   1.914   3.892
+ 1668SOL    HW1 6576   1.387   1.873   3.808
+ 1668SOL    HW2 6577   1.262   1.876   3.912
+ 1669SOL     OW 6578   1.300   2.315   4.415
+ 1669SOL    HW1 6579   1.241   2.395   4.419
+ 1669SOL    HW2 6580   1.315   2.280   4.508
+ 1670SOL     OW 6581   1.593   2.083   4.606
+ 1670SOL    HW1 6582   1.509   2.082   4.660
+ 1670SOL    HW2 6583   1.595   2.166   4.550
+ 1671SOL     OW 6584   0.039   2.939   4.024
+ 1671SOL    HW1 6585   0.138   2.928   4.015
+ 1671SOL    HW2 6586  -0.001   2.853   4.056
+ 1672SOL     OW 6587   0.875   3.508   4.061
+ 1672SOL    HW1 6588   0.798   3.473   4.007
+ 1672SOL    HW2 6589   0.843   3.579   4.123
+ 1673SOL     OW 6590   0.230   2.490   5.699
+ 1673SOL    HW1 6591   0.137   2.488   5.736
+ 1673SOL    HW2 6592   0.231   2.451   5.607
+ 1674SOL     OW 6593   0.225   2.137   6.582
+ 1674SOL    HW1 6594   0.260   2.120   6.674
+ 1674SOL    HW2 6595   0.137   2.092   6.570
+ 1675SOL     OW 6596   0.019   2.230   6.233
+ 1675SOL    HW1 6597  -0.063   2.273   6.272
+ 1675SOL    HW2 6598  -0.009   2.157   6.170
+ 1676SOL     OW 6599   0.569   3.137   6.751
+ 1676SOL    HW1 6600   0.476   3.130   6.714
+ 1676SOL    HW2 6601   0.580   3.226   6.795
+ 1677SOL     OW 6602   1.555   3.373   6.289
+ 1677SOL    HW1 6603   1.498   3.357   6.370
+ 1677SOL    HW2 6604   1.496   3.383   6.209
+ 1678SOL     OW 6605   1.135   2.565   6.303
+ 1678SOL    HW1 6606   1.192   2.643   6.278
+ 1678SOL    HW2 6607   1.075   2.591   6.379
+ 1679SOL     OW 6608   1.755   2.469   5.817
+ 1679SOL    HW1 6609   1.743   2.456   5.718
+ 1679SOL    HW2 6610   1.725   2.388   5.866
+ 1680SOL     OW 6611   0.768   3.006   6.609
+ 1680SOL    HW1 6612   0.690   3.023   6.669
+ 1680SOL    HW2 6613   0.802   3.093   6.573
+ 1681SOL     OW 6614   0.850   2.660   7.409
+ 1681SOL    HW1 6615   0.846   2.736   7.474
+ 1681SOL    HW2 6616   0.872   2.696   7.318
+ 1682SOL     OW 6617   0.685   2.874   6.251
+ 1682SOL    HW1 6618   0.754   2.858   6.321
+ 1682SOL    HW2 6619   0.612   2.931   6.289
+ 1683SOL     OW 6620   0.335   3.297   6.647
+ 1683SOL    HW1 6621   0.257   3.266   6.594
+ 1683SOL    HW2 6622   0.393   3.355   6.590
+ 1684SOL     OW 6623   1.460   3.367   6.925
+ 1684SOL    HW1 6624   1.484   3.461   6.951
+ 1684SOL    HW2 6625   1.444   3.313   7.007
+ 1685SOL     OW 6626   0.438   2.254   7.085
+ 1685SOL    HW1 6627   0.520   2.198   7.094
+ 1685SOL    HW2 6628   0.357   2.196   7.089
+ 1686SOL     OW 6629   1.603   2.309   6.323
+ 1686SOL    HW1 6630   1.529   2.355   6.273
+ 1686SOL    HW2 6631   1.654   2.377   6.376
+ 1687SOL     OW 6632   0.231   3.575   6.069
+ 1687SOL    HW1 6633   0.265   3.652   6.123
+ 1687SOL    HW2 6634   0.275   3.575   5.979
+ 1688SOL     OW 6635   0.230   3.296   6.124
+ 1688SOL    HW1 6636   0.204   3.392   6.124
+ 1688SOL    HW2 6637   0.159   3.242   6.169
+ 1689SOL     OW 6638   0.240   2.953   6.472
+ 1689SOL    HW1 6639   0.254   2.869   6.524
+ 1689SOL    HW2 6640   0.185   3.017   6.527
+ 1690SOL     OW 6641   0.620   3.648   7.025
+ 1690SOL    HW1 6642   0.528   3.631   7.060
+ 1690SOL    HW2 6643   0.648   3.740   7.051
+ 1691SOL     OW 6644   0.606   2.826   5.709
+ 1691SOL    HW1 6645   0.613   2.910   5.655
+ 1691SOL    HW2 6646   0.652   2.839   5.797
+ 1692SOL     OW 6647   1.594   1.976   7.066
+ 1692SOL    HW1 6648   1.576   2.043   6.994
+ 1692SOL    HW2 6649   1.591   2.022   7.155
+ 1693SOL     OW 6650   0.122   2.505   6.149
+ 1693SOL    HW1 6651   0.077   2.417   6.166
+ 1693SOL    HW2 6652   0.121   2.559   6.233
+ 1694SOL     OW 6653   1.842   3.629   5.945
+ 1694SOL    HW1 6654   1.896   3.600   6.025
+ 1694SOL    HW2 6655   1.872   3.719   5.916
+ 1695SOL     OW 6656   0.027   3.458   5.703
+ 1695SOL    HW1 6657   0.008   3.362   5.724
+ 1695SOL    HW2 6658  -0.006   3.516   5.778
+ 1696SOL     OW 6659   1.689   2.784   6.198
+ 1696SOL    HW1 6660   1.784   2.755   6.206
+ 1696SOL    HW2 6661   1.681   2.849   6.123
+ 1697SOL     OW 6662   1.641   2.970   6.018
+ 1697SOL    HW1 6663   1.727   2.972   5.966
+ 1697SOL    HW2 6664   1.655   3.017   6.106
+ 1698SOL     OW 6665   0.113   2.599   7.183
+ 1698SOL    HW1 6666   0.201   2.586   7.228
+ 1698SOL    HW2 6667   0.100   2.696   7.161
+ 1699SOL     OW 6668   0.613   3.227   6.312
+ 1699SOL    HW1 6669   0.564   3.140   6.321
+ 1699SOL    HW2 6670   0.590   3.270   6.225
+ 1700SOL     OW 6671   1.293   3.090   7.009
+ 1700SOL    HW1 6672   1.330   3.017   6.951
+ 1700SOL    HW2 6673   1.345   3.095   7.094
+ 1701SOL     OW 6674   0.809   1.866   6.088
+ 1701SOL    HW1 6675   0.849   1.957   6.079
+ 1701SOL    HW2 6676   0.709   1.874   6.094
+ 1702SOL     OW 6677   0.197   2.838   6.850
+ 1702SOL    HW1 6678   0.286   2.793   6.836
+ 1702SOL    HW2 6679   0.124   2.773   6.831
+ 1703SOL     OW 6680   1.525   2.861   5.776
+ 1703SOL    HW1 6681   1.462   2.785   5.789
+ 1703SOL    HW2 6682   1.573   2.879   5.862
+ 1704SOL     OW 6683   1.187   3.654   7.202
+ 1704SOL    HW1 6684   1.211   3.714   7.126
+ 1704SOL    HW2 6685   1.194   3.559   7.172
+ 1705SOL     OW 6686   0.317   2.113   7.387
+ 1705SOL    HW1 6687   0.388   2.184   7.393
+ 1705SOL    HW2 6688   0.229   2.152   7.415
+ 1706SOL     OW 6689   1.466   3.279   6.539
+ 1706SOL    HW1 6690   1.407   3.285   6.619
+ 1706SOL    HW2 6691   1.451   3.191   6.493
+ 1707SOL     OW 6692   1.667   3.576   6.158
+ 1707SOL    HW1 6693   1.626   3.553   6.070
+ 1707SOL    HW2 6694   1.649   3.502   6.223
+ 1708SOL     OW 6695   0.598   2.591   5.856
+ 1708SOL    HW1 6696   0.622   2.660   5.788
+ 1708SOL    HW2 6697   0.520   2.624   5.910
+ 1709SOL     OW 6698   1.281   2.207   6.530
+ 1709SOL    HW1 6699   1.195   2.157   6.517
+ 1709SOL    HW2 6700   1.343   2.153   6.586
+ 1710SOL     OW 6701   1.576   3.524   5.893
+ 1710SOL    HW1 6702   1.665   3.570   5.896
+ 1710SOL    HW2 6703   1.555   3.500   5.798
+ 1711SOL     OW 6704   0.807   2.467   7.051
+ 1711SOL    HW1 6705   0.760   2.464   7.140
+ 1711SOL    HW2 6706   0.756   2.412   6.985
+ 1712SOL     OW 6707   0.973   2.752   7.158
+ 1712SOL    HW1 6708   1.019   2.668   7.129
+ 1712SOL    HW2 6709   0.917   2.786   7.083
+ 1713SOL     OW 6710   0.991   2.272   6.828
+ 1713SOL    HW1 6711   0.914   2.306   6.882
+ 1713SOL    HW2 6712   0.957   2.221   6.749
+ 1714SOL     OW 6713   1.041   2.563   6.015
+ 1714SOL    HW1 6714   1.067   2.559   6.111
+ 1714SOL    HW2 6715   0.956   2.512   6.001
+ 1715SOL     OW 6716   0.076   2.673   6.375
+ 1715SOL    HW1 6717   0.175   2.661   6.384
+ 1715SOL    HW2 6718   0.052   2.768   6.396
+ 1716SOL     OW 6719   0.130   3.683   7.157
+ 1716SOL    HW1 6720   0.120   3.668   7.256
+ 1716SOL    HW2 6721   0.044   3.719   7.121
+ 1717SOL     OW 6722   0.865   2.210   5.781
+ 1717SOL    HW1 6723   0.924   2.273   5.732
+ 1717SOL    HW2 6724   0.884   2.116   5.752
+ 1718SOL     OW 6725   1.362   3.006   6.131
+ 1718SOL    HW1 6726   1.445   2.977   6.083
+ 1718SOL    HW2 6727   1.313   3.073   6.075
+ 1719SOL     OW 6728   0.550   2.058   6.471
+ 1719SOL    HW1 6729   0.545   2.053   6.571
+ 1719SOL    HW2 6730   0.552   2.154   6.442
+ 1720SOL     OW 6731   1.008   3.318   6.063
+ 1720SOL    HW1 6732   0.962   3.390   6.011
+ 1720SOL    HW2 6733   1.004   3.338   6.161
+ 1721SOL     OW 6734   0.351   3.663   6.439
+ 1721SOL    HW1 6735   0.401   3.577   6.445
+ 1721SOL    HW2 6736   0.416   3.740   6.436
+ 1722SOL     OW 6737   1.795   2.928   6.459
+ 1722SOL    HW1 6738   1.733   2.913   6.383
+ 1722SOL    HW2 6739   1.743   2.939   6.544
+ 1723SOL     OW 6740   1.227   3.412   7.092
+ 1723SOL    HW1 6741   1.233   3.335   7.156
+ 1723SOL    HW2 6742   1.175   3.386   7.012
+ 1724SOL     OW 6743   0.321   2.805   5.828
+ 1724SOL    HW1 6744   0.403   2.844   5.786
+ 1724SOL    HW2 6745   0.294   2.723   5.779
+ 1725SOL     OW 6746   1.458   2.597   6.314
+ 1725SOL    HW1 6747   1.453   2.532   6.389
+ 1725SOL    HW2 6748   1.538   2.656   6.327
+ 1726SOL     OW 6749   0.461   3.128   7.313
+ 1726SOL    HW1 6750   0.411   3.129   7.227
+ 1726SOL    HW2 6751   0.398   3.110   7.389
+ 1727SOL     OW 6752   1.111   3.638   5.823
+ 1727SOL    HW1 6753   1.051   3.576   5.873
+ 1727SOL    HW2 6754   1.142   3.594   5.738
+ 1728SOL     OW 6755   0.202   2.147   7.084
+ 1728SOL    HW1 6756   0.122   2.207   7.071
+ 1728SOL    HW2 6757   0.192   2.098   7.170
+ 1729SOL     OW 6758   1.632   3.239   5.667
+ 1729SOL    HW1 6759   1.600   3.333   5.657
+ 1729SOL    HW2 6760   1.556   3.176   5.655
+ 1730SOL     OW 6761   0.464   3.605   5.909
+ 1730SOL    HW1 6762   0.497   3.644   5.995
+ 1730SOL    HW2 6763   0.540   3.598   5.844
+ 1731SOL     OW 6764   1.400   1.969   6.012
+ 1731SOL    HW1 6765   1.376   1.932   5.922
+ 1731SOL    HW2 6766   1.499   1.985   6.016
+ 1732SOL     OW 6767   0.249   3.647   6.827
+ 1732SOL    HW1 6768   0.306   3.582   6.877
+ 1732SOL    HW2 6769   0.233   3.614   6.734
+ 1733SOL     OW 6770   0.940   3.560   6.490
+ 1733SOL    HW1 6771   1.020   3.503   6.511
+ 1733SOL    HW2 6772   0.891   3.520   6.413
+ 1734SOL     OW 6773   0.382   2.562   6.066
+ 1734SOL    HW1 6774   0.427   2.472   6.063
+ 1734SOL    HW2 6775   0.288   2.551   6.099
+ 1735SOL     OW 6776   0.614   1.984   5.703
+ 1735SOL    HW1 6777   0.712   1.962   5.710
+ 1735SOL    HW2 6778   0.583   1.967   5.610
+ 1736SOL     OW 6779   0.781   2.126   7.335
+ 1736SOL    HW1 6780   0.848   2.065   7.378
+ 1736SOL    HW2 6781   0.708   2.145   7.400
+ 1737SOL     OW 6782   0.888   3.376   6.781
+ 1737SOL    HW1 6783   0.865   3.351   6.687
+ 1737SOL    HW2 6784   0.949   3.307   6.820
+ 1738SOL     OW 6785   1.351   2.452   7.019
+ 1738SOL    HW1 6786   1.379   2.409   7.104
+ 1738SOL    HW2 6787   1.376   2.548   7.020
+ 1739SOL     OW 6788   0.803   3.264   6.510
+ 1739SOL    HW1 6789   0.893   3.278   6.468
+ 1739SOL    HW2 6790   0.732   3.266   6.439
+ 1740SOL     OW 6791   0.922   2.365   6.485
+ 1740SOL    HW1 6792   0.897   2.356   6.389
+ 1740SOL    HW2 6793   0.970   2.283   6.516
+ 1741SOL     OW 6794   0.539   1.926   6.098
+ 1741SOL    HW1 6795   0.458   1.927   6.156
+ 1741SOL    HW2 6796   0.542   2.009   6.043
+ 1742SOL     OW 6797   1.434   3.050   5.627
+ 1742SOL    HW1 6798   1.466   2.974   5.684
+ 1742SOL    HW2 6799   1.342   3.077   5.657
+ 1743SOL     OW 6800   0.297   1.897   5.757
+ 1743SOL    HW1 6801   0.346   1.981   5.736
+ 1743SOL    HW2 6802   0.359   1.832   5.802
+ 1744SOL     OW 6803   0.935   2.098   6.066
+ 1744SOL    HW1 6804   0.887   2.139   5.988
+ 1744SOL    HW2 6805   1.034   2.096   6.047
+ 1745SOL     OW 6806   1.076   2.545   7.050
+ 1745SOL    HW1 6807   0.996   2.484   7.053
+ 1745SOL    HW2 6808   1.157   2.492   7.026
+ 1746SOL     OW 6809   1.227   3.432   6.379
+ 1746SOL    HW1 6810   1.248   3.506   6.314
+ 1746SOL    HW2 6811   1.295   3.432   6.452
+ 1747SOL     OW 6812   0.459   3.014   6.327
+ 1747SOL    HW1 6813   0.388   2.987   6.392
+ 1747SOL    HW2 6814   0.433   2.986   6.234
+ 1748SOL     OW 6815   1.271   3.659   6.177
+ 1748SOL    HW1 6816   1.315   3.723   6.113
+ 1748SOL    HW2 6817   1.221   3.711   6.247
+ 1749SOL     OW 6818   1.032   2.411   5.602
+ 1749SOL    HW1 6819   0.991   2.493   5.563
+ 1749SOL    HW2 6820   1.096   2.437   5.675
+ 1750SOL     OW 6821   0.078   2.418   6.972
+ 1750SOL    HW1 6822   0.170   2.417   6.931
+ 1750SOL    HW2 6823   0.072   2.492   7.039
+ 1751SOL     OW 6824   0.561   2.084   6.733
+ 1751SOL    HW1 6825   0.599   2.000   6.770
+ 1751SOL    HW2 6826   0.473   2.103   6.777
+ 1752SOL     OW 6827   0.866   2.316   6.228
+ 1752SOL    HW1 6828   0.834   2.388   6.166
+ 1752SOL    HW2 6829   0.890   2.235   6.175
+ 1753SOL     OW 6830   1.017   1.901   6.339
+ 1753SOL    HW1 6831   0.945   1.906   6.270
+ 1753SOL    HW2 6832   0.993   1.832   6.408
+ 1754SOL     OW 6833   1.429   3.035   6.453
+ 1754SOL    HW1 6834   1.374   2.951   6.446
+ 1754SOL    HW2 6835   1.455   3.064   6.361
+ 1755SOL     OW 6836   1.466   2.452   6.578
+ 1755SOL    HW1 6837   1.436   2.357   6.585
+ 1755SOL    HW2 6838   1.539   2.468   6.644
+ 1756SOL     OW 6839   1.857   2.695   5.963
+ 1756SOL    HW1 6840   1.899   2.631   6.027
+ 1756SOL    HW2 6841   1.819   2.644   5.885
+ 1757SOL     OW 6842   0.488   3.247   5.760
+ 1757SOL    HW1 6843   0.401   3.232   5.807
+ 1757SOL    HW2 6844   0.471   3.273   5.665
+ 1758SOL     OW 6845   1.664   3.142   6.243
+ 1758SOL    HW1 6846   1.763   3.150   6.257
+ 1758SOL    HW2 6847   1.619   3.226   6.274
+ 1759SOL     OW 6848   1.390   2.437   5.664
+ 1759SOL    HW1 6849   1.336   2.416   5.745
+ 1759SOL    HW2 6850   1.481   2.396   5.673
+ 1760SOL     OW 6851   0.527   2.118   5.914
+ 1760SOL    HW1 6852   0.554   2.059   5.839
+ 1760SOL    HW2 6853   0.527   2.213   5.883
+ 1761SOL     OW 6854   1.754   3.085   7.174
+ 1761SOL    HW1 6855   1.845   3.046   7.161
+ 1761SOL    HW2 6856   1.762   3.181   7.198
+ 1762SOL     OW 6857   1.064   3.209   6.926
+ 1762SOL    HW1 6858   0.984   3.186   6.981
+ 1762SOL    HW2 6859   1.147   3.183   6.975
+ 1763SOL     OW 6860   1.111   3.057   6.686
+ 1763SOL    HW1 6861   1.071   3.101   6.767
+ 1763SOL    HW2 6862   1.070   3.094   6.603
+ 1764SOL     OW 6863   0.915   1.951   6.988
+ 1764SOL    HW1 6864   0.940   1.931   6.893
+ 1764SOL    HW2 6865   0.987   2.007   7.030
+ 1765SOL     OW 6866   0.705   2.912   5.954
+ 1765SOL    HW1 6867   0.691   2.919   6.053
+ 1765SOL    HW2 6868   0.789   2.861   5.936
+ 1766SOL     OW 6869   0.410   2.675   6.837
+ 1766SOL    HW1 6870   0.496   2.687   6.887
+ 1766SOL    HW2 6871   0.368   2.588   6.864
+ 1767SOL     OW 6872   1.274   2.248   6.848
+ 1767SOL    HW1 6873   1.295   2.322   6.912
+ 1767SOL    HW2 6874   1.185   2.265   6.805
+ 1768SOL     OW 6875   0.064   3.426   6.917
+ 1768SOL    HW1 6876   0.018   3.508   6.883
+ 1768SOL    HW2 6877   0.162   3.445   6.926
+ 1769SOL     OW 6878   0.367   2.962   6.087
+ 1769SOL    HW1 6879   0.360   3.045   6.031
+ 1769SOL    HW2 6880   0.371   2.882   6.027
+ 1770SOL     OW 6881   0.566   2.399   6.451
+ 1770SOL    HW1 6882   0.578   2.465   6.377
+ 1770SOL    HW2 6883   0.612   2.433   6.534
+ 1771SOL     OW 6884   1.252   3.210   5.974
+ 1771SOL    HW1 6885   1.302   3.287   6.014
+ 1771SOL    HW2 6886   1.157   3.212   6.006
+ 1772SOL     OW 6887   1.272   3.307   6.728
+ 1772SOL    HW1 6888   1.319   3.320   6.815
+ 1772SOL    HW2 6889   1.206   3.233   6.737
+ 1773SOL     OW 6890   1.582   2.501   6.058
+ 1773SOL    HW1 6891   1.551   2.562   6.131
+ 1773SOL    HW2 6892   1.632   2.553   5.989
+ 1774SOL     OW 6893   0.354   3.372   6.915
+ 1774SOL    HW1 6894   0.333   3.328   6.828
+ 1774SOL    HW2 6895   0.451   3.398   6.918
+ 1775SOL     OW 6896   0.402   2.613   7.184
+ 1775SOL    HW1 6897   0.470   2.668   7.137
+ 1775SOL    HW2 6898   0.442   2.525   7.211
+ 1776SOL     OW 6899   1.587   2.641   7.256
+ 1776SOL    HW1 6900   1.495   2.679   7.251
+ 1776SOL    HW2 6901   1.647   2.688   7.191
+ 1777SOL     OW 6902   0.573   2.732   6.615
+ 1777SOL    HW1 6903   0.617   2.821   6.606
+ 1777SOL    HW2 6904   0.510   2.732   6.692
+ 1778SOL     OW 6905   1.360   2.724   6.631
+ 1778SOL    HW1 6906   1.285   2.724   6.565
+ 1778SOL    HW2 6907   1.397   2.632   6.640
+ 1779SOL     OW 6908   1.209   2.387   5.861
+ 1779SOL    HW1 6909   1.222   2.303   5.915
+ 1779SOL    HW2 6910   1.180   2.461   5.921
+ 1780SOL     OW 6911   0.307   2.075   6.817
+ 1780SOL    HW1 6912   0.284   2.112   6.907
+ 1780SOL    HW2 6913   0.277   1.980   6.811
+ 1781SOL     OW 6914   0.037   3.172   6.868
+ 1781SOL    HW1 6915   0.090   3.123   6.936
+ 1781SOL    HW2 6916   0.059   3.270   6.873
+ 1782SOL     OW 6917   0.732   2.496   6.650
+ 1782SOL    HW1 6918   0.791   2.470   6.574
+ 1782SOL    HW2 6919   0.704   2.592   6.639
+ 1783SOL     OW 6920   0.307   1.925   6.204
+ 1783SOL    HW1 6921   0.296   2.019   6.237
+ 1783SOL    HW2 6922   0.302   1.862   6.281
+ 1784SOL     OW 6923   1.622   2.229   5.960
+ 1784SOL    HW1 6924   1.624   2.153   6.024
+ 1784SOL    HW2 6925   1.574   2.306   6.000
+ 1785SOL     OW 6926   1.023   2.628   6.552
+ 1785SOL    HW1 6927   1.038   2.649   6.648
+ 1785SOL    HW2 6928   0.993   2.533   6.543
+ 1786SOL     OW 6929   1.859   3.380   7.191
+ 1786SOL    HW1 6930   1.873   3.407   7.096
+ 1786SOL    HW2 6931   1.942   3.402   7.244
+ 1787SOL     OW 6932   1.540   2.136   5.711
+ 1787SOL    HW1 6933   1.479   2.061   5.734
+ 1787SOL    HW2 6934   1.562   2.188   5.794
+ 1788SOL     OW 6935   1.303   2.700   5.628
+ 1788SOL    HW1 6936   1.337   2.607   5.643
+ 1788SOL    HW2 6937   1.321   2.727   5.533
+ 1789SOL     OW 6938   1.068   3.195   6.435
+ 1789SOL    HW1 6939   1.075   3.111   6.380
+ 1789SOL    HW2 6940   1.130   3.264   6.399
+ 1790SOL     OW 6941   0.319   2.672   6.535
+ 1790SOL    HW1 6942   0.412   2.708   6.540
+ 1790SOL    HW2 6943   0.313   2.587   6.587
+ 1791SOL     OW 6944   0.339   2.371   6.592
+ 1791SOL    HW1 6945   0.287   2.288   6.575
+ 1791SOL    HW2 6946   0.416   2.376   6.528
+ 1792SOL     OW 6947   1.160   2.069   7.063
+ 1792SOL    HW1 6948   1.160   2.133   7.140
+ 1792SOL    HW2 6949   1.188   2.117   6.980
+ 1793SOL     OW 6950   0.008   3.188   5.786
+ 1793SOL    HW1 6951  -0.085   3.209   5.755
+ 1793SOL    HW2 6952   0.018   3.089   5.799
+ 1794SOL     OW 6953   0.088   3.663   6.513
+ 1794SOL    HW1 6954   0.046   3.577   6.486
+ 1794SOL    HW2 6955   0.182   3.666   6.479
+ 1795SOL     OW 6956   0.504   3.430   6.496
+ 1795SOL    HW1 6957   0.570   3.504   6.505
+ 1795SOL    HW2 6958   0.548   3.351   6.454
+ 1796SOL     OW 6959   1.002   2.658   6.824
+ 1796SOL    HW1 6960   1.043   2.626   6.910
+ 1796SOL    HW2 6961   0.906   2.631   6.821
+ 1797SOL     OW 6962   0.040   2.406   6.700
+ 1797SOL    HW1 6963   0.125   2.373   6.659
+ 1797SOL    HW2 6964   0.053   2.421   6.798
+ 1798SOL     OW 6965   0.815   2.434   5.911
+ 1798SOL    HW1 6966   0.822   2.345   5.865
+ 1798SOL    HW2 6967   0.721   2.468   5.903
+ 1799SOL     OW 6968   1.657   2.466   6.792
+ 1799SOL    HW1 6969   1.619   2.397   6.854
+ 1799SOL    HW2 6970   1.739   2.430   6.748
+ 1800SOL     OW 6971   0.252   3.426   7.330
+ 1800SOL    HW1 6972   0.222   3.483   7.406
+ 1800SOL    HW2 6973   0.245   3.329   7.356
+ 1801SOL     OW 6974   0.671   2.326   6.855
+ 1801SOL    HW1 6975   0.637   2.237   6.825
+ 1801SOL    HW2 6976   0.697   2.380   6.775
+ 1802SOL     OW 6977   0.930   3.540   7.051
+ 1802SOL    HW1 6978   0.906   3.522   6.956
+ 1802SOL    HW2 6979   0.960   3.634   7.061
+ 1803SOL     OW 6980   0.473   2.362   5.777
+ 1803SOL    HW1 6981   0.534   2.442   5.781
+ 1803SOL    HW2 6982   0.378   2.393   5.784
+ 1804SOL     OW 6983   0.159   2.999   7.052
+ 1804SOL    HW1 6984   0.181   2.938   7.128
+ 1804SOL    HW2 6985   0.169   2.950   6.966
+ 1805SOL     OW 6986   1.347   2.921   6.820
+ 1805SOL    HW1 6987   1.371   2.858   6.746
+ 1805SOL    HW2 6988   1.257   2.961   6.802
+ 1806SOL     OW 6989   1.302   2.717   5.895
+ 1806SOL    HW1 6990   1.216   2.686   5.937
+ 1806SOL    HW2 6991   1.298   2.703   5.796
+ 1807SOL     OW 6992   1.759   3.609   6.740
+ 1807SOL    HW1 6993   1.820   3.639   6.667
+ 1807SOL    HW2 6994   1.721   3.520   6.718
+ 1808SOL     OW 6995   1.252   3.593   6.714
+ 1808SOL    HW1 6996   1.336   3.598   6.660
+ 1808SOL    HW2 6997   1.229   3.497   6.732
+ 1809SOL     OW 6998   0.083   3.120   6.608
+ 1809SOL    HW1 6999   0.078   3.119   6.708
+ 1809SOL    HW2 7000   0.000   3.079   6.570
+ 1810SOL     OW 7001   1.726   1.997   6.109
+ 1810SOL    HW1 7002   1.799   1.980   6.042
+ 1810SOL    HW2 7003   1.695   1.910   6.147
+ 1811SOL     OW 7004   1.388   3.435   6.063
+ 1811SOL    HW1 7005   1.455   3.447   5.989
+ 1811SOL    HW2 7006   1.348   3.524   6.086
+ 1812SOL     OW 7007   1.280   2.789   6.258
+ 1812SOL    HW1 7008   1.340   2.708   6.260
+ 1812SOL    HW2 7009   1.320   2.858   6.198
+ 1813SOL     OW 7010   0.830   3.135   7.008
+ 1813SOL    HW1 7011   0.825   3.168   7.103
+ 1813SOL    HW2 7012   0.744   3.154   6.962
+ 1814SOL     OW 7013   0.672   3.478   5.740
+ 1814SOL    HW1 7014   0.681   3.488   5.641
+ 1814SOL    HW2 7015   0.632   3.389   5.761
+ 1815SOL     OW 7016   1.650   3.582   6.980
+ 1815SOL    HW1 7017   1.703   3.592   6.896
+ 1815SOL    HW2 7018   1.623   3.672   7.014
+ 1816SOL     OW 7019   1.841   2.037   6.549
+ 1816SOL    HW1 7020   1.880   1.952   6.513
+ 1816SOL    HW2 7021   1.743   2.039   6.530
+ 1817SOL     OW 7022   0.263   2.188   6.306
+ 1817SOL    HW1 7023   0.184   2.239   6.272
+ 1817SOL    HW2 7024   0.254   2.173   6.404
+ 1818SOL     OW 7025   1.194   3.474   5.617
+ 1818SOL    HW1 7026   1.200   3.381   5.654
+ 1818SOL    HW2 7027   1.135   3.474   5.537
+ 1819SOL     OW 7028   0.822   2.864   6.958
+ 1819SOL    HW1 7029   0.862   2.863   6.866
+ 1819SOL    HW2 7030   0.832   2.956   6.998
+ 1820SOL     OW 7031   0.916   2.772   5.877
+ 1820SOL    HW1 7032   0.979   2.810   5.809
+ 1820SOL    HW2 7033   0.956   2.689   5.916
+ 1821SOL     OW 7034   1.504   3.469   5.630
+ 1821SOL    HW1 7035   1.412   3.506   5.637
+ 1821SOL    HW2 7036   1.542   3.489   5.540
+ 1822SOL     OW 7037   0.372   3.150   7.076
+ 1822SOL    HW1 7038   0.359   3.243   7.042
+ 1822SOL    HW2 7039   0.288   3.098   7.063
+ 1823SOL     OW 7040   1.614   3.154   6.875
+ 1823SOL    HW1 7041   1.674   3.157   6.955
+ 1823SOL    HW2 7042   1.539   3.218   6.888
+ 1824SOL     OW 7043   1.039   2.960   6.282
+ 1824SOL    HW1 7044   0.969   2.913   6.336
+ 1824SOL    HW2 7045   1.098   2.892   6.239
+ 1825SOL     OW 7046   1.014   2.098   6.557
+ 1825SOL    HW1 7047   1.006   2.062   6.464
+ 1825SOL    HW2 7048   1.012   2.022   6.622
+ 1826SOL     OW 7049   0.590   3.349   6.077
+ 1826SOL    HW1 7050   0.632   3.291   6.007
+ 1826SOL    HW2 7051   0.546   3.428   6.033
+ 1827SOL     OW 7052   1.709   2.247   6.967
+ 1827SOL    HW1 7053   1.782   2.316   6.971
+ 1827SOL    HW2 7054   1.737   2.172   6.908
+ 1828SOL     OW 7055   0.255   3.210   5.876
+ 1828SOL    HW1 7056   0.159   3.211   5.849
+ 1828SOL    HW2 7057   0.267   3.263   5.960
+ 1829SOL     OW 7058   0.105   2.875   7.312
+ 1829SOL    HW1 7059   0.028   2.842   7.366
+ 1829SOL    HW2 7060   0.190   2.845   7.354
+ 1830SOL     OW 7061   0.672   2.065   7.075
+ 1830SOL    HW1 7062   0.762   2.049   7.035
+ 1830SOL    HW2 7063   0.680   2.070   7.174
+ 1831SOL     OW 7064   0.075   2.207   5.619
+ 1831SOL    HW1 7065  -0.017   2.179   5.590
+ 1831SOL    HW2 7066   0.106   2.284   5.563
+ 1832SOL     OW 7067   1.440   2.718   6.984
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+ 1832SOL    HW2 7069   1.536   2.730   6.960
+ 1833SOL     OW 7070   0.072   2.028   5.904
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+ 1833SOL    HW2 7072   0.162   1.991   5.882
+ 1834SOL     OW 7073   1.183   3.197   5.705
+ 1834SOL    HW1 7074   1.084   3.186   5.707
+ 1834SOL    HW2 7075   1.217   3.212   5.798
+ 1835SOL     OW 7076   0.613   2.704   7.017
+ 1835SOL    HW1 7077   0.669   2.785   7.000
+ 1835SOL    HW2 7078   0.672   2.624   7.020
+ 1836SOL     OW 7079   1.493   3.629   6.545
+ 1836SOL    HW1 7080   1.526   3.693   6.476
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+ 1837SOL     OW 7082   0.716   2.427   7.294
+ 1837SOL    HW1 7083   0.735   2.492   7.368
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+ 1838SOL     OW 7085   0.390   3.603   7.146
+ 1838SOL    HW1 7086   0.299   3.644   7.144
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+ 1839SOL     OW 7088   1.674   2.745   6.840
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+ 1839SOL    HW2 7090   1.675   2.813   6.767
+ 1840SOL     OW 7091   1.225   2.187   6.035
+ 1840SOL    HW1 7092   1.290   2.113   6.024
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+ 1841SOL    HW2 7096   0.506   2.609   6.190
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+ 1844SOL     OW 7103   0.661   3.652   6.539
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+ 1844SOL    HW2 7105   0.760   3.664   6.532
+ 1845SOL     OW 7106   0.859   2.818   6.447
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+ 1845SOL    HW2 7108   0.827   2.887   6.513
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+ 1846SOL    HW2 7111   1.164   2.790   5.654
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+ 1847SOL    HW1 7113   1.790   3.419   6.367
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+ 1852SOL     OW 7127   1.705   3.349   6.690
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+ 1852SOL    HW2 7129   1.731   3.299   6.772
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+ 1856SOL    HW2 7141   1.094   1.860   6.740
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+ 1863SOL     OW 7160   0.875   3.508   5.923
+ 1863SOL    HW1 7161   0.798   3.473   5.869
+ 1863SOL    HW2 7162   0.843   3.579   5.985
+ 1864SOL     OW 7163   0.230   4.352   0.113
+ 1864SOL    HW1 7164   0.137   4.350   0.150
+ 1864SOL    HW2 7165   0.231   4.313   0.021
+ 1865SOL     OW 7166   0.225   3.999   0.996
+ 1865SOL    HW1 7167   0.260   3.982   1.088
+ 1865SOL    HW2 7168   0.137   3.954   0.984
+ 1866SOL     OW 7169   0.019   4.092   0.647
+ 1866SOL    HW1 7170  -0.063   4.135   0.686
+ 1866SOL    HW2 7171  -0.009   4.019   0.584
+ 1867SOL     OW 7172   0.569   4.999   1.165
+ 1867SOL    HW1 7173   0.476   4.992   1.128
+ 1867SOL    HW2 7174   0.580   5.088   1.209
+ 1868SOL     OW 7175   1.555   5.235   0.703
+ 1868SOL    HW1 7176   1.498   5.219   0.784
+ 1868SOL    HW2 7177   1.496   5.245   0.623
+ 1869SOL     OW 7178   1.135   4.427   0.717
+ 1869SOL    HW1 7179   1.192   4.505   0.692
+ 1869SOL    HW2 7180   1.075   4.453   0.793
+ 1870SOL     OW 7181   1.755   4.331   0.231
+ 1870SOL    HW1 7182   1.743   4.318   0.132
+ 1870SOL    HW2 7183   1.725   4.250   0.280
+ 1871SOL     OW 7184   0.768   4.868   1.023
+ 1871SOL    HW1 7185   0.690   4.885   1.083
+ 1871SOL    HW2 7186   0.802   4.955   0.987
+ 1872SOL     OW 7187   0.850   4.522   1.823
+ 1872SOL    HW1 7188   0.846   4.598   1.888
+ 1872SOL    HW2 7189   0.872   4.558   1.732
+ 1873SOL     OW 7190   0.685   4.736   0.665
+ 1873SOL    HW1 7191   0.754   4.720   0.735
+ 1873SOL    HW2 7192   0.612   4.793   0.703
+ 1874SOL     OW 7193   0.686   4.885   1.803
+ 1874SOL    HW1 7194   0.746   4.964   1.817
+ 1874SOL    HW2 7195   0.600   4.916   1.762
+ 1875SOL     OW 7196   0.335   5.159   1.061
+ 1875SOL    HW1 7197   0.257   5.128   1.008
+ 1875SOL    HW2 7198   0.393   5.217   1.004
+ 1876SOL     OW 7199   1.460   5.229   1.339
+ 1876SOL    HW1 7200   1.484   5.323   1.365
+ 1876SOL    HW2 7201   1.444   5.175   1.421
+ 1877SOL     OW 7202   0.438   4.116   1.499
+ 1877SOL    HW1 7203   0.520   4.060   1.508
+ 1877SOL    HW2 7204   0.357   4.058   1.503
+ 1878SOL     OW 7205   1.603   4.171   0.737
+ 1878SOL    HW1 7206   1.529   4.217   0.687
+ 1878SOL    HW2 7207   1.654   4.239   0.790
+ 1879SOL     OW 7208   0.231   5.437   0.483
+ 1879SOL    HW1 7209   0.265   5.514   0.537
+ 1879SOL    HW2 7210   0.275   5.437   0.393
+ 1880SOL     OW 7211   1.127   5.065   1.690
+ 1880SOL    HW1 7212   1.174   5.065   1.778
+ 1880SOL    HW2 7213   1.079   4.978   1.679
+ 1881SOL     OW 7214   0.230   5.158   0.538
+ 1881SOL    HW1 7215   0.204   5.254   0.538
+ 1881SOL    HW2 7216   0.159   5.104   0.583
+ 1882SOL     OW 7217   0.240   4.815   0.886
+ 1882SOL    HW1 7218   0.254   4.731   0.938
+ 1882SOL    HW2 7219   0.185   4.879   0.941
+ 1883SOL     OW 7220   0.620   5.510   1.439
+ 1883SOL    HW1 7221   0.528   5.493   1.474
+ 1883SOL    HW2 7222   0.648   5.602   1.465
+ 1884SOL     OW 7223   0.606   4.688   0.123
+ 1884SOL    HW1 7224   0.613   4.772   0.069
+ 1884SOL    HW2 7225   0.652   4.701   0.211
+ 1885SOL     OW 7226   1.594   3.838   1.480
+ 1885SOL    HW1 7227   1.576   3.905   1.408
+ 1885SOL    HW2 7228   1.591   3.884   1.569
+ 1886SOL     OW 7229   0.122   4.367   0.563
+ 1886SOL    HW1 7230   0.077   4.279   0.580
+ 1886SOL    HW2 7231   0.121   4.421   0.647
+ 1887SOL     OW 7232   1.842   5.491   0.359
+ 1887SOL    HW1 7233   1.896   5.462   0.439
+ 1887SOL    HW2 7234   1.872   5.581   0.330
+ 1888SOL     OW 7235   0.027   5.320   0.117
+ 1888SOL    HW1 7236   0.008   5.224   0.138
+ 1888SOL    HW2 7237  -0.006   5.378   0.192
+ 1889SOL     OW 7238   1.689   4.646   0.612
+ 1889SOL    HW1 7239   1.784   4.617   0.620
+ 1889SOL    HW2 7240   1.681   4.711   0.537
+ 1890SOL     OW 7241   1.641   4.832   0.432
+ 1890SOL    HW1 7242   1.727   4.834   0.380
+ 1890SOL    HW2 7243   1.655   4.879   0.520
+ 1891SOL     OW 7244   0.113   4.461   1.597
+ 1891SOL    HW1 7245   0.201   4.448   1.642
+ 1891SOL    HW2 7246   0.100   4.558   1.575
+ 1892SOL     OW 7247   0.613   5.089   0.726
+ 1892SOL    HW1 7248   0.564   5.002   0.735
+ 1892SOL    HW2 7249   0.590   5.132   0.639
+ 1893SOL     OW 7250   1.293   4.952   1.423
+ 1893SOL    HW1 7251   1.330   4.879   1.365
+ 1893SOL    HW2 7252   1.345   4.957   1.508
+ 1894SOL     OW 7253   0.809   3.728   0.502
+ 1894SOL    HW1 7254   0.849   3.819   0.493
+ 1894SOL    HW2 7255   0.709   3.736   0.508
+ 1895SOL     OW 7256   0.197   4.700   1.264
+ 1895SOL    HW1 7257   0.286   4.655   1.250
+ 1895SOL    HW2 7258   0.124   4.635   1.245
+ 1896SOL     OW 7259   1.525   4.723   0.190
+ 1896SOL    HW1 7260   1.462   4.647   0.203
+ 1896SOL    HW2 7261   1.573   4.741   0.276
+ 1897SOL     OW 7262   1.187   5.516   1.616
+ 1897SOL    HW1 7263   1.211   5.576   1.540
+ 1897SOL    HW2 7264   1.194   5.421   1.586
+ 1898SOL     OW 7265   0.317   3.975   1.801
+ 1898SOL    HW1 7266   0.388   4.046   1.807
+ 1898SOL    HW2 7267   0.229   4.014   1.829
+ 1899SOL     OW 7268   1.466   5.141   0.953
+ 1899SOL    HW1 7269   1.407   5.147   1.033
+ 1899SOL    HW2 7270   1.451   5.053   0.907
+ 1900SOL     OW 7271   1.667   5.438   0.572
+ 1900SOL    HW1 7272   1.626   5.415   0.484
+ 1900SOL    HW2 7273   1.649   5.364   0.637
+ 1901SOL     OW 7274   0.598   4.453   0.270
+ 1901SOL    HW1 7275   0.622   4.522   0.202
+ 1901SOL    HW2 7276   0.520   4.486   0.324
+ 1902SOL     OW 7277   1.281   4.069   0.944
+ 1902SOL    HW1 7278   1.195   4.019   0.931
+ 1902SOL    HW2 7279   1.343   4.015   1.000
+ 1903SOL     OW 7280   1.576   5.386   0.307
+ 1903SOL    HW1 7281   1.665   5.432   0.310
+ 1903SOL    HW2 7282   1.555   5.362   0.212
+ 1904SOL     OW 7283   0.807   4.329   1.465
+ 1904SOL    HW1 7284   0.760   4.326   1.554
+ 1904SOL    HW2 7285   0.756   4.274   1.399
+ 1905SOL     OW 7286   1.394   4.193   1.674
+ 1905SOL    HW1 7287   1.374   4.236   1.762
+ 1905SOL    HW2 7288   1.472   4.131   1.683
+ 1906SOL     OW 7289   0.973   4.614   1.572
+ 1906SOL    HW1 7290   1.019   4.530   1.543
+ 1906SOL    HW2 7291   0.917   4.648   1.497
+ 1907SOL     OW 7292   0.991   4.134   1.242
+ 1907SOL    HW1 7293   0.914   4.168   1.296
+ 1907SOL    HW2 7294   0.957   4.083   1.163
+ 1908SOL     OW 7295   1.041   4.425   0.429
+ 1908SOL    HW1 7296   1.067   4.421   0.525
+ 1908SOL    HW2 7297   0.956   4.374   0.415
+ 1909SOL     OW 7298   0.076   4.535   0.789
+ 1909SOL    HW1 7299   0.175   4.523   0.798
+ 1909SOL    HW2 7300   0.052   4.630   0.810
+ 1910SOL     OW 7301   0.130   5.545   1.571
+ 1910SOL    HW1 7302   0.120   5.530   1.670
+ 1910SOL    HW2 7303   0.044   5.581   1.535
+ 1911SOL     OW 7304   0.865   4.072   0.195
+ 1911SOL    HW1 7305   0.924   4.135   0.146
+ 1911SOL    HW2 7306   0.884   3.978   0.166
+ 1912SOL     OW 7307   1.719   4.309   1.831
+ 1912SOL    HW1 7308   1.693   4.398   1.795
+ 1912SOL    HW2 7309   1.717   4.241   1.758
+ 1913SOL     OW 7310   1.362   4.868   0.545
+ 1913SOL    HW1 7311   1.445   4.839   0.497
+ 1913SOL    HW2 7312   1.313   4.935   0.489
+ 1914SOL     OW 7313   0.550   3.920   0.885
+ 1914SOL    HW1 7314   0.545   3.915   0.985
+ 1914SOL    HW2 7315   0.552   4.016   0.856
+ 1915SOL     OW 7316   1.008   5.180   0.477
+ 1915SOL    HW1 7317   0.962   5.252   0.425
+ 1915SOL    HW2 7318   1.004   5.200   0.575
+ 1916SOL     OW 7319   0.351   5.525   0.853
+ 1916SOL    HW1 7320   0.401   5.439   0.859
+ 1916SOL    HW2 7321   0.416   5.602   0.850
+ 1917SOL     OW 7322   1.795   4.790   0.873
+ 1917SOL    HW1 7323   1.733   4.775   0.797
+ 1917SOL    HW2 7324   1.743   4.801   0.958
+ 1918SOL     OW 7325   1.227   5.274   1.506
+ 1918SOL    HW1 7326   1.233   5.197   1.570
+ 1918SOL    HW2 7327   1.175   5.248   1.426
+ 1919SOL     OW 7328   0.321   4.667   0.242
+ 1919SOL    HW1 7329   0.403   4.706   0.200
+ 1919SOL    HW2 7330   0.294   4.585   0.193
+ 1920SOL     OW 7331   1.458   4.459   0.728
+ 1920SOL    HW1 7332   1.453   4.394   0.803
+ 1920SOL    HW2 7333   1.538   4.518   0.741
+ 1921SOL     OW 7334   0.461   4.990   1.727
+ 1921SOL    HW1 7335   0.411   4.991   1.641
+ 1921SOL    HW2 7336   0.398   4.972   1.803
+ 1922SOL     OW 7337   1.111   5.500   0.237
+ 1922SOL    HW1 7338   1.051   5.438   0.287
+ 1922SOL    HW2 7339   1.142   5.456   0.152
+ 1923SOL     OW 7340   0.202   4.009   1.498
+ 1923SOL    HW1 7341   0.122   4.069   1.485
+ 1923SOL    HW2 7342   0.192   3.960   1.584
+ 1924SOL     OW 7343   1.632   5.101   0.081
+ 1924SOL    HW1 7344   1.600   5.195   0.071
+ 1924SOL    HW2 7345   1.556   5.038   0.069
+ 1925SOL     OW 7346   0.464   5.467   0.323
+ 1925SOL    HW1 7347   0.497   5.506   0.409
+ 1925SOL    HW2 7348   0.540   5.460   0.258
+ 1926SOL     OW 7349   1.400   3.831   0.426
+ 1926SOL    HW1 7350   1.376   3.794   0.336
+ 1926SOL    HW2 7351   1.499   3.847   0.430
+ 1927SOL     OW 7352   0.249   5.509   1.241
+ 1927SOL    HW1 7353   0.306   5.444   1.291
+ 1927SOL    HW2 7354   0.233   5.476   1.148
+ 1928SOL     OW 7355   0.940   5.422   0.904
+ 1928SOL    HW1 7356   1.020   5.365   0.925
+ 1928SOL    HW2 7357   0.891   5.382   0.827
+ 1929SOL     OW 7358   0.382   4.424   0.480
+ 1929SOL    HW1 7359   0.427   4.334   0.477
+ 1929SOL    HW2 7360   0.288   4.413   0.513
+ 1930SOL     OW 7361   1.547   3.946   1.729
+ 1930SOL    HW1 7362   1.542   3.983   1.821
+ 1930SOL    HW2 7363   1.475   3.877   1.717
+ 1931SOL     OW 7364   0.614   3.846   0.117
+ 1931SOL    HW1 7365   0.712   3.824   0.124
+ 1931SOL    HW2 7366   0.583   3.829   0.024
+ 1932SOL     OW 7367   0.781   3.988   1.749
+ 1932SOL    HW1 7368   0.848   3.927   1.792
+ 1932SOL    HW2 7369   0.708   4.007   1.814
+ 1933SOL     OW 7370   0.888   5.238   1.195
+ 1933SOL    HW1 7371   0.865   5.213   1.101
+ 1933SOL    HW2 7372   0.949   5.169   1.234
+ 1934SOL     OW 7373   1.351   4.314   1.433
+ 1934SOL    HW1 7374   1.379   4.271   1.518
+ 1934SOL    HW2 7375   1.376   4.410   1.434
+ 1935SOL     OW 7376   0.803   5.126   0.924
+ 1935SOL    HW1 7377   0.893   5.140   0.882
+ 1935SOL    HW2 7378   0.732   5.128   0.853
+ 1936SOL     OW 7379   0.922   4.227   0.899
+ 1936SOL    HW1 7380   0.897   4.218   0.803
+ 1936SOL    HW2 7381   0.970   4.145   0.930
+ 1937SOL     OW 7382   0.539   3.788   0.512
+ 1937SOL    HW1 7383   0.458   3.789   0.570
+ 1937SOL    HW2 7384   0.542   3.871   0.457
+ 1938SOL     OW 7385   1.434   4.912   0.041
+ 1938SOL    HW1 7386   1.466   4.836   0.098
+ 1938SOL    HW2 7387   1.342   4.939   0.071
+ 1939SOL     OW 7388   0.297   3.759   0.171
+ 1939SOL    HW1 7389   0.346   3.843   0.150
+ 1939SOL    HW2 7390   0.359   3.694   0.216
+ 1940SOL     OW 7391   0.935   3.960   0.480
+ 1940SOL    HW1 7392   0.887   4.001   0.402
+ 1940SOL    HW2 7393   1.034   3.958   0.461
+ 1941SOL     OW 7394   1.076   4.407   1.464
+ 1941SOL    HW1 7395   0.996   4.346   1.467
+ 1941SOL    HW2 7396   1.157   4.354   1.440
+ 1942SOL     OW 7397   1.227   5.294   0.793
+ 1942SOL    HW1 7398   1.248   5.368   0.728
+ 1942SOL    HW2 7399   1.295   5.294   0.866
+ 1943SOL     OW 7400   0.459   4.876   0.741
+ 1943SOL    HW1 7401   0.388   4.849   0.806
+ 1943SOL    HW2 7402   0.433   4.848   0.648
+ 1944SOL     OW 7403   1.271   5.521   0.591
+ 1944SOL    HW1 7404   1.315   5.585   0.527
+ 1944SOL    HW2 7405   1.221   5.573   0.661
+ 1945SOL     OW 7406   1.032   4.273   0.016
+ 1945SOL    HW1 7407   0.991   4.355  -0.023
+ 1945SOL    HW2 7408   1.096   4.299   0.089
+ 1946SOL     OW 7409   0.078   4.280   1.386
+ 1946SOL    HW1 7410   0.170   4.279   1.345
+ 1946SOL    HW2 7411   0.072   4.354   1.453
+ 1947SOL     OW 7412   0.561   3.946   1.147
+ 1947SOL    HW1 7413   0.599   3.862   1.184
+ 1947SOL    HW2 7414   0.473   3.965   1.191
+ 1948SOL     OW 7415   0.866   4.178   0.642
+ 1948SOL    HW1 7416   0.834   4.250   0.580
+ 1948SOL    HW2 7417   0.890   4.097   0.589
+ 1949SOL     OW 7418   1.017   3.763   0.753
+ 1949SOL    HW1 7419   0.945   3.768   0.684
+ 1949SOL    HW2 7420   0.993   3.694   0.822
+ 1950SOL     OW 7421   1.429   4.897   0.867
+ 1950SOL    HW1 7422   1.374   4.813   0.860
+ 1950SOL    HW2 7423   1.455   4.926   0.775
+ 1951SOL     OW 7424   1.466   4.314   0.992
+ 1951SOL    HW1 7425   1.436   4.219   0.999
+ 1951SOL    HW2 7426   1.539   4.330   1.058
+ 1952SOL     OW 7427   1.857   4.557   0.377
+ 1952SOL    HW1 7428   1.899   4.493   0.441
+ 1952SOL    HW2 7429   1.819   4.506   0.299
+ 1953SOL     OW 7430   0.488   5.109   0.174
+ 1953SOL    HW1 7431   0.401   5.094   0.221
+ 1953SOL    HW2 7432   0.471   5.135   0.079
+ 1954SOL     OW 7433   1.664   5.004   0.657
+ 1954SOL    HW1 7434   1.763   5.012   0.671
+ 1954SOL    HW2 7435   1.619   5.088   0.688
+ 1955SOL     OW 7436   1.390   4.299   0.078
+ 1955SOL    HW1 7437   1.336   4.278   0.159
+ 1955SOL    HW2 7438   1.481   4.258   0.087
+ 1956SOL     OW 7439   0.527   3.980   0.328
+ 1956SOL    HW1 7440   0.554   3.921   0.253
+ 1956SOL    HW2 7441   0.527   4.075   0.297
+ 1957SOL     OW 7442   1.754   4.947   1.588
+ 1957SOL    HW1 7443   1.845   4.908   1.575
+ 1957SOL    HW2 7444   1.762   5.043   1.612
+ 1958SOL     OW 7445   1.064   5.071   1.340
+ 1958SOL    HW1 7446   0.984   5.048   1.395
+ 1958SOL    HW2 7447   1.147   5.045   1.389
+ 1959SOL     OW 7448   1.592   5.353   1.625
+ 1959SOL    HW1 7449   1.619   5.387   1.535
+ 1959SOL    HW2 7450   1.671   5.315   1.671
+ 1960SOL     OW 7451   1.111   4.919   1.100
+ 1960SOL    HW1 7452   1.071   4.963   1.181
+ 1960SOL    HW2 7453   1.070   4.956   1.017
+ 1961SOL     OW 7454   1.638   4.823   1.079
+ 1961SOL    HW1 7455   1.643   4.904   1.138
+ 1961SOL    HW2 7456   1.552   4.825   1.028
+ 1962SOL     OW 7457   0.915   3.813   1.402
+ 1962SOL    HW1 7458   0.940   3.793   1.307
+ 1962SOL    HW2 7459   0.987   3.869   1.444
+ 1963SOL     OW 7460   0.980   4.840   1.719
+ 1963SOL    HW1 7461   0.881   4.846   1.729
+ 1963SOL    HW2 7462   1.003   4.760   1.663
+ 1964SOL     OW 7463   0.705   4.774   0.368
+ 1964SOL    HW1 7464   0.691   4.781   0.467
+ 1964SOL    HW2 7465   0.789   4.723   0.350
+ 1965SOL     OW 7466   0.410   4.537   1.251
+ 1965SOL    HW1 7467   0.496   4.549   1.301
+ 1965SOL    HW2 7468   0.368   4.450   1.278
+ 1966SOL     OW 7469   1.274   4.110   1.262
+ 1966SOL    HW1 7470   1.295   4.184   1.326
+ 1966SOL    HW2 7471   1.185   4.127   1.219
+ 1967SOL     OW 7472   0.064   5.288   1.331
+ 1967SOL    HW1 7473   0.018   5.370   1.297
+ 1967SOL    HW2 7474   0.162   5.307   1.340
+ 1968SOL     OW 7475   0.367   4.824   0.501
+ 1968SOL    HW1 7476   0.360   4.907   0.445
+ 1968SOL    HW2 7477   0.371   4.744   0.441
+ 1969SOL     OW 7478   0.566   4.261   0.865
+ 1969SOL    HW1 7479   0.578   4.327   0.791
+ 1969SOL    HW2 7480   0.612   4.295   0.948
+ 1970SOL     OW 7481   1.252   5.072   0.388
+ 1970SOL    HW1 7482   1.302   5.149   0.428
+ 1970SOL    HW2 7483   1.157   5.074   0.420
+ 1971SOL     OW 7484   1.272   5.169   1.142
+ 1971SOL    HW1 7485   1.319   5.182   1.229
+ 1971SOL    HW2 7486   1.206   5.095   1.151
+ 1972SOL     OW 7487   1.582   4.363   0.472
+ 1972SOL    HW1 7488   1.551   4.424   0.545
+ 1972SOL    HW2 7489   1.632   4.415   0.403
+ 1973SOL     OW 7490   0.354   5.234   1.329
+ 1973SOL    HW1 7491   0.333   5.190   1.242
+ 1973SOL    HW2 7492   0.451   5.260   1.332
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+ 1974SOL    HW2 7495   0.442   4.387   1.625
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+ 1975SOL    HW2 7498   1.647   4.550   1.605
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+ 1976SOL    HW1 7500   1.019   3.914   1.718
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+ 1977SOL    HW1 7503   0.462   3.717   1.670
+ 1977SOL    HW2 7504   0.438   3.843   1.772
+ 1978SOL     OW 7505   0.573   4.594   1.029
+ 1978SOL    HW1 7506   0.617   4.683   1.020
+ 1978SOL    HW2 7507   0.510   4.594   1.106
+ 1979SOL     OW 7508   1.360   4.586   1.045
+ 1979SOL    HW1 7509   1.285   4.586   0.979
+ 1979SOL    HW2 7510   1.397   4.494   1.054
+ 1980SOL     OW 7511   1.209   4.249   0.275
+ 1980SOL    HW1 7512   1.222   4.165   0.329
+ 1980SOL    HW2 7513   1.180   4.323   0.335
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+ 1981SOL    HW2 7516   0.277   3.842   1.225
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+ 1982SOL    HW1 7518   0.090   4.985   1.350
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+ 1983SOL     OW 7520   0.732   4.358   1.064
+ 1983SOL    HW1 7521   0.791   4.332   0.988
+ 1983SOL    HW2 7522   0.704   4.454   1.053
+ 1984SOL     OW 7523   1.728   4.659   1.854
+ 1984SOL    HW1 7524   1.682   4.652   1.765
+ 1984SOL    HW2 7525   1.666   4.703   1.920
+ 1985SOL     OW 7526   0.307   3.787   0.618
+ 1985SOL    HW1 7527   0.296   3.881   0.651
+ 1985SOL    HW2 7528   0.302   3.724   0.695
+ 1986SOL     OW 7529   1.622   4.091   0.374
+ 1986SOL    HW1 7530   1.624   4.015   0.438
+ 1986SOL    HW2 7531   1.574   4.168   0.414
+ 1987SOL     OW 7532   1.023   4.490   0.966
+ 1987SOL    HW1 7533   1.038   4.511   1.062
+ 1987SOL    HW2 7534   0.993   4.395   0.957
+ 1988SOL     OW 7535   0.980   5.297   1.700
+ 1988SOL    HW1 7536   0.960   5.341   1.612
+ 1988SOL    HW2 7537   1.019   5.206   1.684
+ 1989SOL     OW 7538   1.859   5.242   1.605
+ 1989SOL    HW1 7539   1.873   5.269   1.510
+ 1989SOL    HW2 7540   1.942   5.264   1.658
+ 1990SOL     OW 7541   0.350   4.622   1.804
+ 1990SOL    HW1 7542   0.426   4.666   1.852
+ 1990SOL    HW2 7543   0.385   4.575   1.722
+ 1991SOL     OW 7544   1.540   3.998   0.125
+ 1991SOL    HW1 7545   1.479   3.923   0.148
+ 1991SOL    HW2 7546   1.562   4.050   0.208
+ 1992SOL     OW 7547   1.303   4.562   0.042
+ 1992SOL    HW1 7548   1.337   4.469   0.057
+ 1992SOL    HW2 7549   1.321   4.589  -0.053
+ 1993SOL     OW 7550   1.068   5.057   0.849
+ 1993SOL    HW1 7551   1.075   4.973   0.794
+ 1993SOL    HW2 7552   1.130   5.126   0.813
+ 1994SOL     OW 7553   0.319   4.534   0.949
+ 1994SOL    HW1 7554   0.412   4.570   0.954
+ 1994SOL    HW2 7555   0.313   4.449   1.001
+ 1995SOL     OW 7556   0.339   4.233   1.006
+ 1995SOL    HW1 7557   0.287   4.150   0.989
+ 1995SOL    HW2 7558   0.416   4.238   0.942
+ 1996SOL     OW 7559   1.138   4.104   1.678
+ 1996SOL    HW1 7560   1.093   4.167   1.742
+ 1996SOL    HW2 7561   1.231   4.135   1.661
+ 1997SOL     OW 7562   1.160   3.931   1.477
+ 1997SOL    HW1 7563   1.160   3.995   1.554
+ 1997SOL    HW2 7564   1.188   3.979   1.394
+ 1998SOL     OW 7565   0.008   5.050   0.200
+ 1998SOL    HW1 7566  -0.085   5.071   0.169
+ 1998SOL    HW2 7567   0.018   4.951   0.213
+ 1999SOL     OW 7568   0.088   5.525   0.927
+ 1999SOL    HW1 7569   0.046   5.439   0.900
+ 1999SOL    HW2 7570   0.182   5.528   0.893
+ 2000SOL     OW 7571   0.504   5.292   0.910
+ 2000SOL    HW1 7572   0.570   5.366   0.919
+ 2000SOL    HW2 7573   0.548   5.213   0.868
+ 2001SOL     OW 7574   1.002   4.520   1.238
+ 2001SOL    HW1 7575   1.043   4.488   1.324
+ 2001SOL    HW2 7576   0.906   4.493   1.235
+ 2002SOL     OW 7577   0.040   4.268   1.114
+ 2002SOL    HW1 7578   0.125   4.235   1.073
+ 2002SOL    HW2 7579   0.053   4.283   1.212
+ 2003SOL     OW 7580   0.189   4.244   1.722
+ 2003SOL    HW1 7581   0.248   4.204   1.652
+ 2003SOL    HW2 7582   0.131   4.315   1.681
+ 2004SOL     OW 7583   1.369   4.674   1.660
+ 2004SOL    HW1 7584   1.408   4.763   1.680
+ 2004SOL    HW2 7585   1.379   4.654   1.563
+ 2005SOL     OW 7586   0.815   4.296   0.325
+ 2005SOL    HW1 7587   0.822   4.207   0.279
+ 2005SOL    HW2 7588   0.721   4.330   0.317
+ 2006SOL     OW 7589   1.657   4.328   1.206
+ 2006SOL    HW1 7590   1.619   4.259   1.268
+ 2006SOL    HW2 7591   1.739   4.292   1.162
+ 2007SOL     OW 7592   0.252   5.288   1.744
+ 2007SOL    HW1 7593   0.222   5.345   1.820
+ 2007SOL    HW2 7594   0.245   5.191   1.770
+ 2008SOL     OW 7595   0.671   4.188   1.269
+ 2008SOL    HW1 7596   0.637   4.099   1.239
+ 2008SOL    HW2 7597   0.697   4.242   1.189
+ 2009SOL     OW 7598   0.930   5.402   1.465
+ 2009SOL    HW1 7599   0.906   5.384   1.370
+ 2009SOL    HW2 7600   0.960   5.496   1.475
+ 2010SOL     OW 7601   0.473   4.224   0.191
+ 2010SOL    HW1 7602   0.534   4.304   0.195
+ 2010SOL    HW2 7603   0.378   4.255   0.198
+ 2011SOL     OW 7604   0.159   4.861   1.466
+ 2011SOL    HW1 7605   0.181   4.800   1.542
+ 2011SOL    HW2 7606   0.169   4.812   1.380
+ 2012SOL     OW 7607   1.347   4.783   1.234
+ 2012SOL    HW1 7608   1.371   4.720   1.160
+ 2012SOL    HW2 7609   1.257   4.823   1.216
+ 2013SOL     OW 7610   1.302   4.579   0.309
+ 2013SOL    HW1 7611   1.216   4.548   0.351
+ 2013SOL    HW2 7612   1.298   4.565   0.210
+ 2014SOL     OW 7613   1.759   5.471   1.154
+ 2014SOL    HW1 7614   1.820   5.501   1.081
+ 2014SOL    HW2 7615   1.721   5.382   1.132
+ 2015SOL     OW 7616   1.252   5.455   1.128
+ 2015SOL    HW1 7617   1.336   5.460   1.074
+ 2015SOL    HW2 7618   1.229   5.359   1.146
+ 2016SOL     OW 7619   0.083   4.982   1.022
+ 2016SOL    HW1 7620   0.078   4.981   1.122
+ 2016SOL    HW2 7621   0.000   4.941   0.984
+ 2017SOL     OW 7622   0.688   5.386   1.716
+ 2017SOL    HW1 7623   0.632   5.467   1.725
+ 2017SOL    HW2 7624   0.740   5.390   1.630
+ 2018SOL     OW 7625   0.903   3.810   0.133
+ 2018SOL    HW1 7626   0.954   3.811   0.047
+ 2018SOL    HW2 7627   0.959   3.768   0.204
+ 2019SOL     OW 7628   1.726   3.859   0.523
+ 2019SOL    HW1 7629   1.799   3.842   0.456
+ 2019SOL    HW2 7630   1.695   3.772   0.561
+ 2020SOL     OW 7631   1.388   5.297   0.477
+ 2020SOL    HW1 7632   1.455   5.309   0.403
+ 2020SOL    HW2 7633   1.348   5.386   0.500
+ 2021SOL     OW 7634   0.130   5.518   1.851
+ 2021SOL    HW1 7635   0.089   5.444   1.904
+ 2021SOL    HW2 7636   0.194   5.569   1.909
+ 2022SOL     OW 7637   1.280   4.651   0.672
+ 2022SOL    HW1 7638   1.340   4.570   0.674
+ 2022SOL    HW2 7639   1.320   4.720   0.612
+ 2023SOL     OW 7640   0.830   4.997   1.422
+ 2023SOL    HW1 7641   0.825   5.030   1.517
+ 2023SOL    HW2 7642   0.744   5.016   1.376
+ 2024SOL     OW 7643   0.672   5.340   0.154
+ 2024SOL    HW1 7644   0.681   5.350   0.055
+ 2024SOL    HW2 7645   0.632   5.251   0.175
+ 2025SOL     OW 7646   1.650   5.444   1.394
+ 2025SOL    HW1 7647   1.703   5.454   1.310
+ 2025SOL    HW2 7648   1.623   5.534   1.428
+ 2026SOL     OW 7649   1.841   3.899   0.963
+ 2026SOL    HW1 7650   1.880   3.814   0.927
+ 2026SOL    HW2 7651   1.743   3.901   0.944
+ 2027SOL     OW 7652   0.263   4.050   0.720
+ 2027SOL    HW1 7653   0.184   4.101   0.686
+ 2027SOL    HW2 7654   0.254   4.035   0.818
+ 2028SOL     OW 7655   1.194   5.336   0.031
+ 2028SOL    HW1 7656   1.200   5.243   0.068
+ 2028SOL    HW2 7657   1.135   5.336  -0.049
+ 2029SOL     OW 7658   0.822   4.726   1.372
+ 2029SOL    HW1 7659   0.862   4.725   1.280
+ 2029SOL    HW2 7660   0.832   4.818   1.412
+ 2030SOL     OW 7661   0.916   4.634   0.291
+ 2030SOL    HW1 7662   0.979   4.672   0.223
+ 2030SOL    HW2 7663   0.956   4.551   0.330
+ 2031SOL     OW 7664   1.504   5.331   0.044
+ 2031SOL    HW1 7665   1.412   5.368   0.051
+ 2031SOL    HW2 7666   1.542   5.351  -0.046
+ 2032SOL     OW 7667   0.372   5.012   1.490
+ 2032SOL    HW1 7668   0.359   5.105   1.456
+ 2032SOL    HW2 7669   0.288   4.960   1.477
+ 2033SOL     OW 7670   1.614   5.016   1.289
+ 2033SOL    HW1 7671   1.674   5.019   1.369
+ 2033SOL    HW2 7672   1.539   5.080   1.302
+ 2034SOL     OW 7673   1.039   4.822   0.696
+ 2034SOL    HW1 7674   0.969   4.775   0.750
+ 2034SOL    HW2 7675   1.098   4.754   0.653
+ 2035SOL     OW 7676   1.014   3.960   0.971
+ 2035SOL    HW1 7677   1.006   3.924   0.878
+ 2035SOL    HW2 7678   1.012   3.884   1.036
+ 2036SOL     OW 7679   0.590   5.211   0.491
+ 2036SOL    HW1 7680   0.632   5.153   0.421
+ 2036SOL    HW2 7681   0.546   5.290   0.447
+ 2037SOL     OW 7682   1.709   4.109   1.381
+ 2037SOL    HW1 7683   1.782   4.178   1.385
+ 2037SOL    HW2 7684   1.737   4.034   1.322
+ 2038SOL     OW 7685   0.255   5.072   0.290
+ 2038SOL    HW1 7686   0.159   5.073   0.263
+ 2038SOL    HW2 7687   0.267   5.125   0.374
+ 2039SOL     OW 7688   0.105   4.737   1.726
+ 2039SOL    HW1 7689   0.028   4.704   1.780
+ 2039SOL    HW2 7690   0.190   4.707   1.768
+ 2040SOL     OW 7691   0.672   3.927   1.489
+ 2040SOL    HW1 7692   0.762   3.911   1.449
+ 2040SOL    HW2 7693   0.680   3.932   1.588
+ 2041SOL     OW 7694   0.075   4.069   0.033
+ 2041SOL    HW1 7695  -0.017   4.041   0.004
+ 2041SOL    HW2 7696   0.106   4.146  -0.023
+ 2042SOL     OW 7697   1.440   4.580   1.398
+ 2042SOL    HW1 7698   1.383   4.632   1.335
+ 2042SOL    HW2 7699   1.536   4.592   1.374
+ 2043SOL     OW 7700   0.072   3.890   0.318
+ 2043SOL    HW1 7701   0.055   3.973   0.264
+ 2043SOL    HW2 7702   0.162   3.853   0.296
+ 2044SOL     OW 7703   1.183   5.059   0.119
+ 2044SOL    HW1 7704   1.084   5.048   0.121
+ 2044SOL    HW2 7705   1.217   5.074   0.212
+ 2045SOL     OW 7706   0.613   4.566   1.431
+ 2045SOL    HW1 7707   0.669   4.647   1.414
+ 2045SOL    HW2 7708   0.672   4.486   1.434
+ 2046SOL     OW 7709   1.493   5.491   0.959
+ 2046SOL    HW1 7710   1.526   5.555   0.890
+ 2046SOL    HW2 7711   1.559   5.485   1.034
+ 2047SOL     OW 7712   0.716   4.289   1.708
+ 2047SOL    HW1 7713   0.735   4.354   1.782
+ 2047SOL    HW2 7714   0.776   4.209   1.717
+ 2048SOL     OW 7715   1.450   4.944   1.633
+ 2048SOL    HW1 7716   1.441   4.934   1.732
+ 2048SOL    HW2 7717   1.546   4.937   1.607
+ 2049SOL     OW 7718   0.390   5.465   1.560
+ 2049SOL    HW1 7719   0.299   5.506   1.558
+ 2049SOL    HW2 7720   0.383   5.371   1.592
+ 2050SOL     OW 7721   1.674   4.607   1.254
+ 2050SOL    HW1 7722   1.647   4.518   1.217
+ 2050SOL    HW2 7723   1.675   4.675   1.181
+ 2051SOL     OW 7724   1.225   4.049   0.449
+ 2051SOL    HW1 7725   1.290   3.975   0.438
+ 2051SOL    HW2 7726   1.245   4.099   0.533
+ 2052SOL     OW 7727   0.594   4.469   0.652
+ 2052SOL    HW1 7728   0.644   4.554   0.633
+ 2052SOL    HW2 7729   0.506   4.471   0.604
+ 2053SOL     OW 7730   1.777   4.066   1.642
+ 2053SOL    HW1 7731   1.760   4.097   1.548
+ 2053SOL    HW2 7732   1.693   4.029   1.680
+ 2054SOL     OW 7733   1.730   4.658   1.517
+ 2054SOL    HW1 7734   1.768   4.749   1.532
+ 2054SOL    HW2 7735   1.722   4.641   1.418
+ 2055SOL     OW 7736   0.859   5.098   0.016
+ 2055SOL    HW1 7737   0.813   5.113   0.104
+ 2055SOL    HW2 7738   0.903   5.183  -0.014
+ 2056SOL     OW 7739   0.661   5.514   0.953
+ 2056SOL    HW1 7740   0.615   5.602   0.940
+ 2056SOL    HW2 7741   0.760   5.526   0.946
+ 2057SOL     OW 7742   0.859   4.680   0.861
+ 2057SOL    HW1 7743   0.913   4.611   0.909
+ 2057SOL    HW2 7744   0.827   4.749   0.927
+ 2058SOL     OW 7745   1.083   4.708   0.087
+ 2058SOL    HW1 7746   1.060   4.761   0.005
+ 2058SOL    HW2 7747   1.164   4.652   0.068
+ 2059SOL     OW 7748   1.861   5.293   0.851
+ 2059SOL    HW1 7749   1.790   5.281   0.781
+ 2059SOL    HW2 7750   1.862   5.214   0.911
+ 2060SOL     OW 7751   0.221   5.038   1.844
+ 2060SOL    HW1 7752   0.156   4.965   1.823
+ 2060SOL    HW2 7753   0.225   5.052   1.942
+ 2061SOL     OW 7754   0.079   4.964   0.653
+ 2061SOL    HW1 7755   0.078   4.917   0.741
+ 2061SOL    HW2 7756   0.161   4.936   0.602
+ 2062SOL     OW 7757   0.672   5.115   1.624
+ 2062SOL    HW1 7758   0.594   5.065   1.662
+ 2062SOL    HW2 7759   0.669   5.210   1.655
+ 2063SOL     OW 7760   1.824   3.916   1.227
+ 2063SOL    HW1 7761   1.820   3.826   1.271
+ 2063SOL    HW2 7762   1.827   3.905   1.128
+ 2064SOL     OW 7763   0.428   4.148   0.520
+ 2064SOL    HW1 7764   0.458   4.076   0.458
+ 2064SOL    HW2 7765   0.389   4.108   0.603
+ 2065SOL     OW 7766   1.705   5.211   1.104
+ 2065SOL    HW1 7767   1.612   5.186   1.077
+ 2065SOL    HW2 7768   1.731   5.161   1.186
+ 2066SOL     OW 7769   0.317   4.271   1.280
+ 2066SOL    HW1 7770   0.355   4.212   1.352
+ 2066SOL    HW2 7771   0.357   4.245   1.192
+ 2067SOL     OW 7772   0.812   5.310   0.687
+ 2067SOL    HW1 7773   0.844   5.320   0.593
+ 2067SOL    HW2 7774   0.733   5.248   0.689
+ 2068SOL     OW 7775   1.424   3.938   1.112
+ 2068SOL    HW1 7776   1.476   3.873   1.167
+ 2068SOL    HW2 7777   1.375   4.001   1.173
+ 2069SOL     OW 7778   1.001   3.758   1.154
+ 2069SOL    HW1 7779   0.938   3.686   1.123
+ 2069SOL    HW2 7780   1.094   3.722   1.154
+ 2070SOL     OW 7781   0.770   5.054   0.301
+ 2070SOL    HW1 7782   0.724   4.967   0.318
+ 2070SOL    HW2 7783   0.861   5.051   0.342
+ 2071SOL     OW 7784   0.618   5.291   1.284
+ 2071SOL    HW1 7785   0.613   5.373   1.341
+ 2071SOL    HW2 7786   0.707   5.288   1.239
+ 2072SOL     OW 7787   1.352   3.776   0.168
+ 2072SOL    HW1 7788   1.387   3.735   0.084
+ 2072SOL    HW2 7789   1.262   3.738   0.188
+ 2073SOL     OW 7790   1.300   4.177   0.691
+ 2073SOL    HW1 7791   1.241   4.257   0.695
+ 2073SOL    HW2 7792   1.315   4.142   0.784
+ 2074SOL     OW 7793   1.593   3.945   0.882
+ 2074SOL    HW1 7794   1.509   3.944   0.936
+ 2074SOL    HW2 7795   1.595   4.028   0.826
+ 2075SOL     OW 7796   0.039   4.801   0.300
+ 2075SOL    HW1 7797   0.138   4.790   0.291
+ 2075SOL    HW2 7798  -0.001   4.715   0.332
+ 2076SOL     OW 7799   0.875   5.370   0.337
+ 2076SOL    HW1 7800   0.798   5.335   0.283
+ 2076SOL    HW2 7801   0.843   5.441   0.399
+ 2077SOL     OW 7802   0.230   4.352   1.975
+ 2077SOL    HW1 7803   0.137   4.350   2.012
+ 2077SOL    HW2 7804   0.231   4.313   1.883
+ 2078SOL     OW 7805   0.225   3.999   2.858
+ 2078SOL    HW1 7806   0.260   3.982   2.950
+ 2078SOL    HW2 7807   0.137   3.954   2.846
+ 2079SOL     OW 7808   0.019   4.092   2.509
+ 2079SOL    HW1 7809  -0.063   4.135   2.548
+ 2079SOL    HW2 7810  -0.009   4.019   2.446
+ 2080SOL     OW 7811   0.569   4.999   3.027
+ 2080SOL    HW1 7812   0.476   4.992   2.990
+ 2080SOL    HW2 7813   0.580   5.088   3.071
+ 2081SOL     OW 7814   1.555   5.235   2.565
+ 2081SOL    HW1 7815   1.498   5.219   2.646
+ 2081SOL    HW2 7816   1.496   5.245   2.485
+ 2082SOL     OW 7817   1.135   4.427   2.579
+ 2082SOL    HW1 7818   1.192   4.505   2.554
+ 2082SOL    HW2 7819   1.075   4.453   2.655
+ 2083SOL     OW 7820   1.755   4.331   2.093
+ 2083SOL    HW1 7821   1.743   4.318   1.994
+ 2083SOL    HW2 7822   1.725   4.250   2.142
+ 2084SOL     OW 7823   0.768   4.868   2.885
+ 2084SOL    HW1 7824   0.690   4.885   2.945
+ 2084SOL    HW2 7825   0.802   4.955   2.849
+ 2085SOL     OW 7826   0.850   4.522   3.685
+ 2085SOL    HW1 7827   0.846   4.598   3.750
+ 2085SOL    HW2 7828   0.872   4.558   3.594
+ 2086SOL     OW 7829   0.685   4.736   2.527
+ 2086SOL    HW1 7830   0.754   4.720   2.597
+ 2086SOL    HW2 7831   0.612   4.793   2.565
+ 2087SOL     OW 7832   0.686   4.885   3.665
+ 2087SOL    HW1 7833   0.746   4.964   3.679
+ 2087SOL    HW2 7834   0.600   4.916   3.624
+ 2088SOL     OW 7835   0.335   5.159   2.923
+ 2088SOL    HW1 7836   0.257   5.128   2.870
+ 2088SOL    HW2 7837   0.393   5.217   2.866
+ 2089SOL     OW 7838   1.460   5.229   3.201
+ 2089SOL    HW1 7839   1.484   5.323   3.227
+ 2089SOL    HW2 7840   1.444   5.175   3.283
+ 2090SOL     OW 7841   0.438   4.116   3.361
+ 2090SOL    HW1 7842   0.520   4.060   3.370
+ 2090SOL    HW2 7843   0.357   4.058   3.365
+ 2091SOL     OW 7844   1.603   4.171   2.599
+ 2091SOL    HW1 7845   1.529   4.217   2.549
+ 2091SOL    HW2 7846   1.654   4.239   2.652
+ 2092SOL     OW 7847   0.231   5.437   2.345
+ 2092SOL    HW1 7848   0.265   5.514   2.399
+ 2092SOL    HW2 7849   0.275   5.437   2.255
+ 2093SOL     OW 7850   1.127   5.065   3.552
+ 2093SOL    HW1 7851   1.174   5.065   3.640
+ 2093SOL    HW2 7852   1.079   4.978   3.541
+ 2094SOL     OW 7853   0.230   5.158   2.400
+ 2094SOL    HW1 7854   0.204   5.254   2.400
+ 2094SOL    HW2 7855   0.159   5.104   2.445
+ 2095SOL     OW 7856   0.240   4.815   2.748
+ 2095SOL    HW1 7857   0.254   4.731   2.800
+ 2095SOL    HW2 7858   0.185   4.879   2.803
+ 2096SOL     OW 7859   0.620   5.510   3.301
+ 2096SOL    HW1 7860   0.528   5.493   3.336
+ 2096SOL    HW2 7861   0.648   5.602   3.327
+ 2097SOL     OW 7862   0.606   4.688   1.985
+ 2097SOL    HW1 7863   0.613   4.772   1.931
+ 2097SOL    HW2 7864   0.652   4.701   2.073
+ 2098SOL     OW 7865   1.594   3.838   3.342
+ 2098SOL    HW1 7866   1.576   3.905   3.270
+ 2098SOL    HW2 7867   1.591   3.884   3.431
+ 2099SOL     OW 7868   0.122   4.367   2.425
+ 2099SOL    HW1 7869   0.077   4.279   2.442
+ 2099SOL    HW2 7870   0.121   4.421   2.509
+ 2100SOL     OW 7871   1.842   5.491   2.221
+ 2100SOL    HW1 7872   1.896   5.462   2.301
+ 2100SOL    HW2 7873   1.872   5.581   2.192
+ 2101SOL     OW 7874   0.027   5.320   1.979
+ 2101SOL    HW1 7875   0.008   5.224   2.000
+ 2101SOL    HW2 7876  -0.006   5.378   2.054
+ 2102SOL     OW 7877   1.689   4.646   2.474
+ 2102SOL    HW1 7878   1.784   4.617   2.482
+ 2102SOL    HW2 7879   1.681   4.711   2.399
+ 2103SOL     OW 7880   1.641   4.832   2.294
+ 2103SOL    HW1 7881   1.727   4.834   2.242
+ 2103SOL    HW2 7882   1.655   4.879   2.382
+ 2104SOL     OW 7883   0.113   4.461   3.459
+ 2104SOL    HW1 7884   0.201   4.448   3.504
+ 2104SOL    HW2 7885   0.100   4.558   3.437
+ 2105SOL     OW 7886   0.613   5.089   2.588
+ 2105SOL    HW1 7887   0.564   5.002   2.597
+ 2105SOL    HW2 7888   0.590   5.132   2.501
+ 2106SOL     OW 7889   1.293   4.952   3.285
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+ 2107SOL     OW 7892   0.809   3.728   2.364
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+ 2108SOL     OW 7895   0.197   4.700   3.126
+ 2108SOL    HW1 7896   0.286   4.655   3.112
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+ 2109SOL     OW 7898   1.525   4.723   2.052
+ 2109SOL    HW1 7899   1.462   4.647   2.065
+ 2109SOL    HW2 7900   1.573   4.741   2.138
+ 2110SOL     OW 7901   1.187   5.516   3.478
+ 2110SOL    HW1 7902   1.211   5.576   3.402
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+ 2111SOL     OW 7904   0.317   3.975   3.663
+ 2111SOL    HW1 7905   0.388   4.046   3.669
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+ 2112SOL     OW 7907   1.466   5.141   2.815
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+ 2112SOL    HW2 7909   1.451   5.053   2.769
+ 2113SOL     OW 7910   1.667   5.438   2.434
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+ 2114SOL     OW 7913   0.598   4.453   2.132
+ 2114SOL    HW1 7914   0.622   4.522   2.064
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+ 2115SOL     OW 7916   1.281   4.069   2.806
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+ 2115SOL    HW2 7918   1.343   4.015   2.862
+ 2116SOL     OW 7919   1.576   5.386   2.169
+ 2116SOL    HW1 7920   1.665   5.432   2.172
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+ 2117SOL     OW 7922   0.807   4.329   3.327
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+ 2118SOL     OW 7925   1.394   4.193   3.536
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+ 2121SOL     OW 7934   1.041   4.425   2.291
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+ 2123SOL     OW 7940   0.130   5.545   3.433
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+ 2125SOL     OW 7946   1.719   4.309   3.693
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+ 2126SOL    HW1 7950   1.445   4.839   2.359
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+ 2127SOL     OW 7952   0.550   3.920   2.747
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+ 2130SOL     OW 7961   1.227   5.274   3.368
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+ 2131SOL     OW 7964   0.321   4.667   2.104
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+ 2132SOL     OW 7967   1.458   4.459   2.590
+ 2132SOL    HW1 7968   1.453   4.394   2.665
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+ 2133SOL     OW 7970   0.461   4.990   3.589
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+ 2134SOL     OW 7973   1.111   5.500   2.099
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+ 2135SOL     OW 7976   0.202   4.009   3.360
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+ 2136SOL     OW 7979   1.632   5.101   1.943
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+ 2137SOL     OW 7982   0.464   5.467   2.185
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+ 2138SOL     OW 7985   1.400   3.831   2.288
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+ 2139SOL     OW 7988   0.249   5.509   3.103
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+ 2141SOL     OW 7994   0.382   4.424   2.342
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+ 2142SOL     OW 7997   1.547   3.946   3.591
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+ 2143SOL     OW 8000   0.614   3.846   1.979
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+ 2144SOL     OW 8003   0.781   3.988   3.611
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+ 2145SOL     OW 8006   0.888   5.238   3.057
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+ 2146SOL     OW 8009   1.351   4.314   3.295
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+ 2147SOL     OW 8012   0.803   5.126   2.786
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+ 2148SOL     OW 8015   0.922   4.227   2.761
+ 2148SOL    HW1 8016   0.897   4.218   2.665
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+ 2149SOL     OW 8018   0.539   3.788   2.374
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+ 2150SOL     OW 8021   1.434   4.912   1.903
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+ 2224SOL    HW1 8244   1.371   4.720   3.022
+ 2224SOL    HW2 8245   1.257   4.823   3.078
+ 2225SOL     OW 8246   1.302   4.579   2.171
+ 2225SOL    HW1 8247   1.216   4.548   2.213
+ 2225SOL    HW2 8248   1.298   4.565   2.072
+ 2226SOL     OW 8249   1.759   5.471   3.016
+ 2226SOL    HW1 8250   1.820   5.501   2.943
+ 2226SOL    HW2 8251   1.721   5.382   2.994
+ 2227SOL     OW 8252   1.252   5.455   2.990
+ 2227SOL    HW1 8253   1.336   5.460   2.936
+ 2227SOL    HW2 8254   1.229   5.359   3.008
+ 2228SOL     OW 8255   0.083   4.982   2.884
+ 2228SOL    HW1 8256   0.078   4.981   2.984
+ 2228SOL    HW2 8257   0.000   4.941   2.846
+ 2229SOL     OW 8258   0.688   5.386   3.578
+ 2229SOL    HW1 8259   0.632   5.467   3.587
+ 2229SOL    HW2 8260   0.740   5.390   3.492
+ 2230SOL     OW 8261   1.726   3.859   2.385
+ 2230SOL    HW1 8262   1.799   3.842   2.318
+ 2230SOL    HW2 8263   1.695   3.772   2.423
+ 2231SOL     OW 8264   1.388   5.297   2.339
+ 2231SOL    HW1 8265   1.455   5.309   2.265
+ 2231SOL    HW2 8266   1.348   5.386   2.362
+ 2232SOL     OW 8267   0.130   5.518   3.713
+ 2232SOL    HW1 8268   0.089   5.444   3.766
+ 2232SOL    HW2 8269   0.194   5.569   3.771
+ 2233SOL     OW 8270   1.280   4.651   2.534
+ 2233SOL    HW1 8271   1.340   4.570   2.536
+ 2233SOL    HW2 8272   1.320   4.720   2.474
+ 2234SOL     OW 8273   0.830   4.997   3.284
+ 2234SOL    HW1 8274   0.825   5.030   3.379
+ 2234SOL    HW2 8275   0.744   5.016   3.238
+ 2235SOL     OW 8276   0.672   5.340   2.016
+ 2235SOL    HW1 8277   0.681   5.350   1.917
+ 2235SOL    HW2 8278   0.632   5.251   2.037
+ 2236SOL     OW 8279   1.650   5.444   3.256
+ 2236SOL    HW1 8280   1.703   5.454   3.172
+ 2236SOL    HW2 8281   1.623   5.534   3.290
+ 2237SOL     OW 8282   1.841   3.899   2.825
+ 2237SOL    HW1 8283   1.880   3.814   2.789
+ 2237SOL    HW2 8284   1.743   3.901   2.806
+ 2238SOL     OW 8285   0.263   4.050   2.582
+ 2238SOL    HW1 8286   0.184   4.101   2.548
+ 2238SOL    HW2 8287   0.254   4.035   2.680
+ 2239SOL     OW 8288   1.194   5.336   1.893
+ 2239SOL    HW1 8289   1.200   5.243   1.930
+ 2239SOL    HW2 8290   1.135   5.336   1.813
+ 2240SOL     OW 8291   0.822   4.726   3.234
+ 2240SOL    HW1 8292   0.862   4.725   3.142
+ 2240SOL    HW2 8293   0.832   4.818   3.274
+ 2241SOL     OW 8294   0.916   4.634   2.153
+ 2241SOL    HW1 8295   0.979   4.672   2.085
+ 2241SOL    HW2 8296   0.956   4.551   2.192
+ 2242SOL     OW 8297   1.504   5.331   1.906
+ 2242SOL    HW1 8298   1.412   5.368   1.913
+ 2242SOL    HW2 8299   1.542   5.351   1.816
+ 2243SOL     OW 8300   0.372   5.012   3.352
+ 2243SOL    HW1 8301   0.359   5.105   3.318
+ 2243SOL    HW2 8302   0.288   4.960   3.339
+ 2244SOL     OW 8303   1.614   5.016   3.151
+ 2244SOL    HW1 8304   1.674   5.019   3.231
+ 2244SOL    HW2 8305   1.539   5.080   3.164
+ 2245SOL     OW 8306   1.039   4.822   2.558
+ 2245SOL    HW1 8307   0.969   4.775   2.612
+ 2245SOL    HW2 8308   1.098   4.754   2.515
+ 2246SOL     OW 8309   1.014   3.960   2.833
+ 2246SOL    HW1 8310   1.006   3.924   2.740
+ 2246SOL    HW2 8311   1.012   3.884   2.898
+ 2247SOL     OW 8312   0.590   5.211   2.353
+ 2247SOL    HW1 8313   0.632   5.153   2.283
+ 2247SOL    HW2 8314   0.546   5.290   2.309
+ 2248SOL     OW 8315   1.709   4.109   3.243
+ 2248SOL    HW1 8316   1.782   4.178   3.247
+ 2248SOL    HW2 8317   1.737   4.034   3.184
+ 2249SOL     OW 8318   0.255   5.072   2.152
+ 2249SOL    HW1 8319   0.159   5.073   2.125
+ 2249SOL    HW2 8320   0.267   5.125   2.236
+ 2250SOL     OW 8321   0.105   4.737   3.588
+ 2250SOL    HW1 8322   0.028   4.704   3.642
+ 2250SOL    HW2 8323   0.190   4.707   3.630
+ 2251SOL     OW 8324   0.672   3.927   3.351
+ 2251SOL    HW1 8325   0.762   3.911   3.311
+ 2251SOL    HW2 8326   0.680   3.932   3.450
+ 2252SOL     OW 8327   0.075   4.069   1.895
+ 2252SOL    HW1 8328  -0.017   4.041   1.866
+ 2252SOL    HW2 8329   0.106   4.146   1.839
+ 2253SOL     OW 8330   1.440   4.580   3.260
+ 2253SOL    HW1 8331   1.383   4.632   3.197
+ 2253SOL    HW2 8332   1.536   4.592   3.236
+ 2254SOL     OW 8333   0.072   3.890   2.180
+ 2254SOL    HW1 8334   0.055   3.973   2.126
+ 2254SOL    HW2 8335   0.162   3.853   2.158
+ 2255SOL     OW 8336   1.183   5.059   1.981
+ 2255SOL    HW1 8337   1.084   5.048   1.983
+ 2255SOL    HW2 8338   1.217   5.074   2.074
+ 2256SOL     OW 8339   0.613   4.566   3.293
+ 2256SOL    HW1 8340   0.669   4.647   3.276
+ 2256SOL    HW2 8341   0.672   4.486   3.296
+ 2257SOL     OW 8342   1.493   5.491   2.821
+ 2257SOL    HW1 8343   1.526   5.555   2.752
+ 2257SOL    HW2 8344   1.559   5.485   2.896
+ 2258SOL     OW 8345   0.716   4.289   3.570
+ 2258SOL    HW1 8346   0.735   4.354   3.644
+ 2258SOL    HW2 8347   0.776   4.209   3.579
+ 2259SOL     OW 8348   1.450   4.944   3.495
+ 2259SOL    HW1 8349   1.441   4.934   3.594
+ 2259SOL    HW2 8350   1.546   4.937   3.469
+ 2260SOL     OW 8351   0.390   5.465   3.422
+ 2260SOL    HW1 8352   0.299   5.506   3.420
+ 2260SOL    HW2 8353   0.383   5.371   3.454
+ 2261SOL     OW 8354   1.674   4.607   3.116
+ 2261SOL    HW1 8355   1.647   4.518   3.079
+ 2261SOL    HW2 8356   1.675   4.675   3.043
+ 2262SOL     OW 8357   1.225   4.049   2.311
+ 2262SOL    HW1 8358   1.290   3.975   2.300
+ 2262SOL    HW2 8359   1.245   4.099   2.395
+ 2263SOL     OW 8360   0.594   4.469   2.514
+ 2263SOL    HW1 8361   0.644   4.554   2.495
+ 2263SOL    HW2 8362   0.506   4.471   2.466
+ 2264SOL     OW 8363   1.777   4.066   3.504
+ 2264SOL    HW1 8364   1.760   4.097   3.410
+ 2264SOL    HW2 8365   1.693   4.029   3.542
+ 2265SOL     OW 8366   1.730   4.658   3.379
+ 2265SOL    HW1 8367   1.768   4.749   3.394
+ 2265SOL    HW2 8368   1.722   4.641   3.280
+ 2266SOL     OW 8369   0.859   5.098   1.878
+ 2266SOL    HW1 8370   0.813   5.113   1.966
+ 2266SOL    HW2 8371   0.903   5.183   1.848
+ 2267SOL     OW 8372   0.661   5.514   2.815
+ 2267SOL    HW1 8373   0.615   5.602   2.802
+ 2267SOL    HW2 8374   0.760   5.526   2.808
+ 2268SOL     OW 8375   0.859   4.680   2.723
+ 2268SOL    HW1 8376   0.913   4.611   2.771
+ 2268SOL    HW2 8377   0.827   4.749   2.789
+ 2269SOL     OW 8378   1.083   4.708   1.949
+ 2269SOL    HW1 8379   1.060   4.761   1.867
+ 2269SOL    HW2 8380   1.164   4.652   1.930
+ 2270SOL     OW 8381   1.861   5.293   2.713
+ 2270SOL    HW1 8382   1.790   5.281   2.643
+ 2270SOL    HW2 8383   1.862   5.214   2.773
+ 2271SOL     OW 8384   0.221   5.038   3.706
+ 2271SOL    HW1 8385   0.156   4.965   3.685
+ 2271SOL    HW2 8386   0.225   5.052   3.804
+ 2272SOL     OW 8387   0.079   4.964   2.515
+ 2272SOL    HW1 8388   0.078   4.917   2.603
+ 2272SOL    HW2 8389   0.161   4.936   2.464
+ 2273SOL     OW 8390   0.672   5.115   3.486
+ 2273SOL    HW1 8391   0.594   5.065   3.524
+ 2273SOL    HW2 8392   0.669   5.210   3.517
+ 2274SOL     OW 8393   1.824   3.916   3.089
+ 2274SOL    HW1 8394   1.820   3.826   3.133
+ 2274SOL    HW2 8395   1.827   3.905   2.990
+ 2275SOL     OW 8396   0.428   4.148   2.382
+ 2275SOL    HW1 8397   0.458   4.076   2.320
+ 2275SOL    HW2 8398   0.389   4.108   2.465
+ 2276SOL     OW 8399   1.705   5.211   2.966
+ 2276SOL    HW1 8400   1.612   5.186   2.939
+ 2276SOL    HW2 8401   1.731   5.161   3.048
+ 2277SOL     OW 8402   0.317   4.271   3.142
+ 2277SOL    HW1 8403   0.355   4.212   3.214
+ 2277SOL    HW2 8404   0.357   4.245   3.054
+ 2278SOL     OW 8405   0.812   5.310   2.549
+ 2278SOL    HW1 8406   0.844   5.320   2.455
+ 2278SOL    HW2 8407   0.733   5.248   2.551
+ 2279SOL     OW 8408   1.424   3.938   2.974
+ 2279SOL    HW1 8409   1.476   3.873   3.029
+ 2279SOL    HW2 8410   1.375   4.001   3.035
+ 2280SOL     OW 8411   1.001   3.758   3.016
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+ 2281SOL     OW 8414   0.770   5.054   2.163
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+ 2281SOL    HW2 8416   0.861   5.051   2.204
+ 2282SOL     OW 8417   0.618   5.291   3.146
+ 2282SOL    HW1 8418   0.613   5.373   3.203
+ 2282SOL    HW2 8419   0.707   5.288   3.101
+ 2283SOL     OW 8420   1.352   3.776   2.030
+ 2283SOL    HW1 8421   1.387   3.735   1.946
+ 2283SOL    HW2 8422   1.262   3.738   2.050
+ 2284SOL     OW 8423   1.300   4.177   2.553
+ 2284SOL    HW1 8424   1.241   4.257   2.557
+ 2284SOL    HW2 8425   1.315   4.142   2.646
+ 2285SOL     OW 8426   1.593   3.945   2.744
+ 2285SOL    HW1 8427   1.509   3.944   2.798
+ 2285SOL    HW2 8428   1.595   4.028   2.688
+ 2286SOL     OW 8429   0.039   4.801   2.162
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+ 2286SOL    HW2 8431  -0.001   4.715   2.194
+ 2287SOL     OW 8432   0.875   5.370   2.199
+ 2287SOL    HW1 8433   0.798   5.335   2.145
+ 2287SOL    HW2 8434   0.843   5.441   2.261
+ 2288SOL     OW 8435   0.230   4.352   3.837
+ 2288SOL    HW1 8436   0.137   4.350   3.874
+ 2288SOL    HW2 8437   0.231   4.313   3.745
+ 2289SOL     OW 8438   0.225   3.999   4.720
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+ 2290SOL     OW 8441   0.019   4.092   4.371
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+ 2290SOL    HW2 8443  -0.009   4.019   4.308
+ 2291SOL     OW 8444   0.569   4.999   4.889
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+ 2292SOL     OW 8447   1.555   5.235   4.427
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+ 2296SOL     OW 8459   0.850   4.522   5.547
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+ 2298SOL     OW 8465   0.686   4.885   5.527
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+ 2299SOL     OW 8468   0.335   5.159   4.785
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+ 2300SOL     OW 8471   1.460   5.229   5.063
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+ 2341SOL    HW1 8595   1.733   4.775   4.521
+ 2341SOL    HW2 8596   1.743   4.801   4.682
+ 2342SOL     OW 8597   1.227   5.274   5.230
+ 2342SOL    HW1 8598   1.233   5.197   5.294
+ 2342SOL    HW2 8599   1.175   5.248   5.150
+ 2343SOL     OW 8600   0.321   4.667   3.966
+ 2343SOL    HW1 8601   0.403   4.706   3.924
+ 2343SOL    HW2 8602   0.294   4.585   3.917
+ 2344SOL     OW 8603   1.458   4.459   4.452
+ 2344SOL    HW1 8604   1.453   4.394   4.527
+ 2344SOL    HW2 8605   1.538   4.518   4.465
+ 2345SOL     OW 8606   0.461   4.990   5.451
+ 2345SOL    HW1 8607   0.411   4.991   5.365
+ 2345SOL    HW2 8608   0.398   4.972   5.527
+ 2346SOL     OW 8609   1.111   5.500   3.961
+ 2346SOL    HW1 8610   1.051   5.438   4.011
+ 2346SOL    HW2 8611   1.142   5.456   3.876
+ 2347SOL     OW 8612   0.202   4.009   5.222
+ 2347SOL    HW1 8613   0.122   4.069   5.209
+ 2347SOL    HW2 8614   0.192   3.960   5.308
+ 2348SOL     OW 8615   1.632   5.101   3.805
+ 2348SOL    HW1 8616   1.600   5.195   3.795
+ 2348SOL    HW2 8617   1.556   5.038   3.793
+ 2349SOL     OW 8618   0.464   5.467   4.047
+ 2349SOL    HW1 8619   0.497   5.506   4.133
+ 2349SOL    HW2 8620   0.540   5.460   3.982
+ 2350SOL     OW 8621   1.400   3.831   4.150
+ 2350SOL    HW1 8622   1.376   3.794   4.060
+ 2350SOL    HW2 8623   1.499   3.847   4.154
+ 2351SOL     OW 8624   0.249   5.509   4.965
+ 2351SOL    HW1 8625   0.306   5.444   5.015
+ 2351SOL    HW2 8626   0.233   5.476   4.872
+ 2352SOL     OW 8627   0.940   5.422   4.628
+ 2352SOL    HW1 8628   1.020   5.365   4.649
+ 2352SOL    HW2 8629   0.891   5.382   4.551
+ 2353SOL     OW 8630   0.382   4.424   4.204
+ 2353SOL    HW1 8631   0.427   4.334   4.201
+ 2353SOL    HW2 8632   0.288   4.413   4.237
+ 2354SOL     OW 8633   1.547   3.946   5.453
+ 2354SOL    HW1 8634   1.542   3.983   5.545
+ 2354SOL    HW2 8635   1.475   3.877   5.441
+ 2355SOL     OW 8636   0.614   3.846   3.841
+ 2355SOL    HW1 8637   0.712   3.824   3.848
+ 2355SOL    HW2 8638   0.583   3.829   3.748
+ 2356SOL     OW 8639   0.781   3.988   5.473
+ 2356SOL    HW1 8640   0.848   3.927   5.516
+ 2356SOL    HW2 8641   0.708   4.007   5.538
+ 2357SOL     OW 8642   0.888   5.238   4.919
+ 2357SOL    HW1 8643   0.865   5.213   4.825
+ 2357SOL    HW2 8644   0.949   5.169   4.958
+ 2358SOL     OW 8645   1.351   4.314   5.157
+ 2358SOL    HW1 8646   1.379   4.271   5.242
+ 2358SOL    HW2 8647   1.376   4.410   5.158
+ 2359SOL     OW 8648   0.803   5.126   4.648
+ 2359SOL    HW1 8649   0.893   5.140   4.606
+ 2359SOL    HW2 8650   0.732   5.128   4.577
+ 2360SOL     OW 8651   0.922   4.227   4.623
+ 2360SOL    HW1 8652   0.897   4.218   4.527
+ 2360SOL    HW2 8653   0.970   4.145   4.654
+ 2361SOL     OW 8654   0.539   3.788   4.236
+ 2361SOL    HW1 8655   0.458   3.789   4.294
+ 2361SOL    HW2 8656   0.542   3.871   4.181
+ 2362SOL     OW 8657   1.434   4.912   3.765
+ 2362SOL    HW1 8658   1.466   4.836   3.822
+ 2362SOL    HW2 8659   1.342   4.939   3.795
+ 2363SOL     OW 8660   0.297   3.759   3.895
+ 2363SOL    HW1 8661   0.346   3.843   3.874
+ 2363SOL    HW2 8662   0.359   3.694   3.940
+ 2364SOL     OW 8663   0.935   3.960   4.204
+ 2364SOL    HW1 8664   0.887   4.001   4.126
+ 2364SOL    HW2 8665   1.034   3.958   4.185
+ 2365SOL     OW 8666   1.076   4.407   5.188
+ 2365SOL    HW1 8667   0.996   4.346   5.191
+ 2365SOL    HW2 8668   1.157   4.354   5.164
+ 2366SOL     OW 8669   1.227   5.294   4.517
+ 2366SOL    HW1 8670   1.248   5.368   4.452
+ 2366SOL    HW2 8671   1.295   5.294   4.590
+ 2367SOL     OW 8672   0.459   4.876   4.465
+ 2367SOL    HW1 8673   0.388   4.849   4.530
+ 2367SOL    HW2 8674   0.433   4.848   4.372
+ 2368SOL     OW 8675   1.271   5.521   4.315
+ 2368SOL    HW1 8676   1.315   5.585   4.251
+ 2368SOL    HW2 8677   1.221   5.573   4.385
+ 2369SOL     OW 8678   1.032   4.273   3.740
+ 2369SOL    HW1 8679   0.991   4.355   3.701
+ 2369SOL    HW2 8680   1.096   4.299   3.813
+ 2370SOL     OW 8681   0.078   4.280   5.110
+ 2370SOL    HW1 8682   0.170   4.279   5.069
+ 2370SOL    HW2 8683   0.072   4.354   5.177
+ 2371SOL     OW 8684   0.561   3.946   4.871
+ 2371SOL    HW1 8685   0.599   3.862   4.908
+ 2371SOL    HW2 8686   0.473   3.965   4.915
+ 2372SOL     OW 8687   0.866   4.178   4.366
+ 2372SOL    HW1 8688   0.834   4.250   4.304
+ 2372SOL    HW2 8689   0.890   4.097   4.313
+ 2373SOL     OW 8690   1.017   3.763   4.477
+ 2373SOL    HW1 8691   0.945   3.768   4.408
+ 2373SOL    HW2 8692   0.993   3.694   4.546
+ 2374SOL     OW 8693   1.429   4.897   4.591
+ 2374SOL    HW1 8694   1.374   4.813   4.584
+ 2374SOL    HW2 8695   1.455   4.926   4.499
+ 2375SOL     OW 8696   1.466   4.314   4.716
+ 2375SOL    HW1 8697   1.436   4.219   4.723
+ 2375SOL    HW2 8698   1.539   4.330   4.782
+ 2376SOL     OW 8699   1.857   4.557   4.101
+ 2376SOL    HW1 8700   1.899   4.493   4.165
+ 2376SOL    HW2 8701   1.819   4.506   4.023
+ 2377SOL     OW 8702   0.488   5.109   3.898
+ 2377SOL    HW1 8703   0.401   5.094   3.945
+ 2377SOL    HW2 8704   0.471   5.135   3.803
+ 2378SOL     OW 8705   1.664   5.004   4.381
+ 2378SOL    HW1 8706   1.763   5.012   4.395
+ 2378SOL    HW2 8707   1.619   5.088   4.412
+ 2379SOL     OW 8708   1.390   4.299   3.802
+ 2379SOL    HW1 8709   1.336   4.278   3.883
+ 2379SOL    HW2 8710   1.481   4.258   3.811
+ 2380SOL     OW 8711   0.527   3.980   4.052
+ 2380SOL    HW1 8712   0.554   3.921   3.977
+ 2380SOL    HW2 8713   0.527   4.075   4.021
+ 2381SOL     OW 8714   1.754   4.947   5.312
+ 2381SOL    HW1 8715   1.845   4.908   5.299
+ 2381SOL    HW2 8716   1.762   5.043   5.336
+ 2382SOL     OW 8717   1.064   5.071   5.064
+ 2382SOL    HW1 8718   0.984   5.048   5.119
+ 2382SOL    HW2 8719   1.147   5.045   5.113
+ 2383SOL     OW 8720   1.592   5.353   5.349
+ 2383SOL    HW1 8721   1.619   5.387   5.259
+ 2383SOL    HW2 8722   1.671   5.315   5.395
+ 2384SOL     OW 8723   1.111   4.919   4.824
+ 2384SOL    HW1 8724   1.071   4.963   4.905
+ 2384SOL    HW2 8725   1.070   4.956   4.741
+ 2385SOL     OW 8726   1.638   4.823   4.803
+ 2385SOL    HW1 8727   1.643   4.904   4.862
+ 2385SOL    HW2 8728   1.552   4.825   4.752
+ 2386SOL     OW 8729   0.915   3.813   5.126
+ 2386SOL    HW1 8730   0.940   3.793   5.031
+ 2386SOL    HW2 8731   0.987   3.869   5.168
+ 2387SOL     OW 8732   0.980   4.840   5.443
+ 2387SOL    HW1 8733   0.881   4.846   5.453
+ 2387SOL    HW2 8734   1.003   4.760   5.387
+ 2388SOL     OW 8735   0.705   4.774   4.092
+ 2388SOL    HW1 8736   0.691   4.781   4.191
+ 2388SOL    HW2 8737   0.789   4.723   4.074
+ 2389SOL     OW 8738   0.410   4.537   4.975
+ 2389SOL    HW1 8739   0.496   4.549   5.025
+ 2389SOL    HW2 8740   0.368   4.450   5.002
+ 2390SOL     OW 8741   1.274   4.110   4.986
+ 2390SOL    HW1 8742   1.295   4.184   5.050
+ 2390SOL    HW2 8743   1.185   4.127   4.943
+ 2391SOL     OW 8744   0.064   5.288   5.055
+ 2391SOL    HW1 8745   0.018   5.370   5.021
+ 2391SOL    HW2 8746   0.162   5.307   5.064
+ 2392SOL     OW 8747   0.367   4.824   4.225
+ 2392SOL    HW1 8748   0.360   4.907   4.169
+ 2392SOL    HW2 8749   0.371   4.744   4.165
+ 2393SOL     OW 8750   0.566   4.261   4.589
+ 2393SOL    HW1 8751   0.578   4.327   4.515
+ 2393SOL    HW2 8752   0.612   4.295   4.672
+ 2394SOL     OW 8753   1.252   5.072   4.112
+ 2394SOL    HW1 8754   1.302   5.149   4.152
+ 2394SOL    HW2 8755   1.157   5.074   4.144
+ 2395SOL     OW 8756   1.272   5.169   4.866
+ 2395SOL    HW1 8757   1.319   5.182   4.953
+ 2395SOL    HW2 8758   1.206   5.095   4.875
+ 2396SOL     OW 8759   1.582   4.363   4.196
+ 2396SOL    HW1 8760   1.551   4.424   4.269
+ 2396SOL    HW2 8761   1.632   4.415   4.127
+ 2397SOL     OW 8762   0.354   5.234   5.053
+ 2397SOL    HW1 8763   0.333   5.190   4.966
+ 2397SOL    HW2 8764   0.451   5.260   5.056
+ 2398SOL     OW 8765   0.402   4.475   5.322
+ 2398SOL    HW1 8766   0.470   4.530   5.275
+ 2398SOL    HW2 8767   0.442   4.387   5.349
+ 2399SOL     OW 8768   1.587   4.503   5.394
+ 2399SOL    HW1 8769   1.495   4.541   5.389
+ 2399SOL    HW2 8770   1.647   4.550   5.329
+ 2400SOL     OW 8771   1.013   3.829   5.494
+ 2400SOL    HW1 8772   1.019   3.914   5.442
+ 2400SOL    HW2 8773   1.045   3.753   5.437
+ 2401SOL     OW 8774   0.504   3.774   5.464
+ 2401SOL    HW1 8775   0.462   3.717   5.394
+ 2401SOL    HW2 8776   0.438   3.843   5.496
+ 2402SOL     OW 8777   0.573   4.594   4.753
+ 2402SOL    HW1 8778   0.617   4.683   4.744
+ 2402SOL    HW2 8779   0.510   4.594   4.830
+ 2403SOL     OW 8780   1.360   4.586   4.769
+ 2403SOL    HW1 8781   1.285   4.586   4.703
+ 2403SOL    HW2 8782   1.397   4.494   4.778
+ 2404SOL     OW 8783   1.209   4.249   3.999
+ 2404SOL    HW1 8784   1.222   4.165   4.053
+ 2404SOL    HW2 8785   1.180   4.323   4.059
+ 2405SOL     OW 8786   0.307   3.937   4.955
+ 2405SOL    HW1 8787   0.284   3.974   5.045
+ 2405SOL    HW2 8788   0.277   3.842   4.949
+ 2406SOL     OW 8789   0.037   5.034   5.006
+ 2406SOL    HW1 8790   0.090   4.985   5.074
+ 2406SOL    HW2 8791   0.059   5.132   5.011
+ 2407SOL     OW 8792   0.732   4.358   4.788
+ 2407SOL    HW1 8793   0.791   4.332   4.712
+ 2407SOL    HW2 8794   0.704   4.454   4.777
+ 2408SOL     OW 8795   1.728   4.659   5.578
+ 2408SOL    HW1 8796   1.682   4.652   5.489
+ 2408SOL    HW2 8797   1.666   4.703   5.644
+ 2409SOL     OW 8798   0.307   3.787   4.342
+ 2409SOL    HW1 8799   0.296   3.881   4.375
+ 2409SOL    HW2 8800   0.302   3.724   4.419
+ 2410SOL     OW 8801   1.622   4.091   4.098
+ 2410SOL    HW1 8802   1.624   4.015   4.162
+ 2410SOL    HW2 8803   1.574   4.168   4.138
+ 2411SOL     OW 8804   1.023   4.490   4.690
+ 2411SOL    HW1 8805   1.038   4.511   4.786
+ 2411SOL    HW2 8806   0.993   4.395   4.681
+ 2412SOL     OW 8807   0.980   5.297   5.424
+ 2412SOL    HW1 8808   0.960   5.341   5.336
+ 2412SOL    HW2 8809   1.019   5.206   5.408
+ 2413SOL     OW 8810   1.859   5.242   5.329
+ 2413SOL    HW1 8811   1.873   5.269   5.234
+ 2413SOL    HW2 8812   1.942   5.264   5.382
+ 2414SOL     OW 8813   0.350   4.622   5.528
+ 2414SOL    HW1 8814   0.426   4.666   5.576
+ 2414SOL    HW2 8815   0.385   4.575   5.446
+ 2415SOL     OW 8816   1.540   3.998   3.849
+ 2415SOL    HW1 8817   1.479   3.923   3.872
+ 2415SOL    HW2 8818   1.562   4.050   3.932
+ 2416SOL     OW 8819   1.303   4.562   3.766
+ 2416SOL    HW1 8820   1.337   4.469   3.781
+ 2416SOL    HW2 8821   1.321   4.589   3.671
+ 2417SOL     OW 8822   1.068   5.057   4.573
+ 2417SOL    HW1 8823   1.075   4.973   4.518
+ 2417SOL    HW2 8824   1.130   5.126   4.537
+ 2418SOL     OW 8825   0.319   4.534   4.673
+ 2418SOL    HW1 8826   0.412   4.570   4.678
+ 2418SOL    HW2 8827   0.313   4.449   4.725
+ 2419SOL     OW 8828   0.339   4.233   4.730
+ 2419SOL    HW1 8829   0.287   4.150   4.713
+ 2419SOL    HW2 8830   0.416   4.238   4.666
+ 2420SOL     OW 8831   1.138   4.104   5.402
+ 2420SOL    HW1 8832   1.093   4.167   5.466
+ 2420SOL    HW2 8833   1.231   4.135   5.385
+ 2421SOL     OW 8834   1.160   3.931   5.201
+ 2421SOL    HW1 8835   1.160   3.995   5.278
+ 2421SOL    HW2 8836   1.188   3.979   5.118
+ 2422SOL     OW 8837   0.008   5.050   3.924
+ 2422SOL    HW1 8838  -0.085   5.071   3.893
+ 2422SOL    HW2 8839   0.018   4.951   3.937
+ 2423SOL     OW 8840   0.088   5.525   4.651
+ 2423SOL    HW1 8841   0.046   5.439   4.624
+ 2423SOL    HW2 8842   0.182   5.528   4.617
+ 2424SOL     OW 8843   0.504   5.292   4.634
+ 2424SOL    HW1 8844   0.570   5.366   4.643
+ 2424SOL    HW2 8845   0.548   5.213   4.592
+ 2425SOL     OW 8846   1.002   4.520   4.962
+ 2425SOL    HW1 8847   1.043   4.488   5.048
+ 2425SOL    HW2 8848   0.906   4.493   4.959
+ 2426SOL     OW 8849   0.040   4.268   4.838
+ 2426SOL    HW1 8850   0.125   4.235   4.797
+ 2426SOL    HW2 8851   0.053   4.283   4.936
+ 2427SOL     OW 8852   0.189   4.244   5.446
+ 2427SOL    HW1 8853   0.248   4.204   5.376
+ 2427SOL    HW2 8854   0.131   4.315   5.405
+ 2428SOL     OW 8855   1.369   4.674   5.384
+ 2428SOL    HW1 8856   1.408   4.763   5.404
+ 2428SOL    HW2 8857   1.379   4.654   5.287
+ 2429SOL     OW 8858   0.815   4.296   4.049
+ 2429SOL    HW1 8859   0.822   4.207   4.003
+ 2429SOL    HW2 8860   0.721   4.330   4.041
+ 2430SOL     OW 8861   1.657   4.328   4.930
+ 2430SOL    HW1 8862   1.619   4.259   4.992
+ 2430SOL    HW2 8863   1.739   4.292   4.886
+ 2431SOL     OW 8864   0.252   5.288   5.468
+ 2431SOL    HW1 8865   0.222   5.345   5.544
+ 2431SOL    HW2 8866   0.245   5.191   5.494
+ 2432SOL     OW 8867   0.671   4.188   4.993
+ 2432SOL    HW1 8868   0.637   4.099   4.963
+ 2432SOL    HW2 8869   0.697   4.242   4.913
+ 2433SOL     OW 8870   0.930   5.402   5.189
+ 2433SOL    HW1 8871   0.906   5.384   5.094
+ 2433SOL    HW2 8872   0.960   5.496   5.199
+ 2434SOL     OW 8873   0.473   4.224   3.915
+ 2434SOL    HW1 8874   0.534   4.304   3.919
+ 2434SOL    HW2 8875   0.378   4.255   3.922
+ 2435SOL     OW 8876   0.159   4.861   5.190
+ 2435SOL    HW1 8877   0.181   4.800   5.266
+ 2435SOL    HW2 8878   0.169   4.812   5.104
+ 2436SOL     OW 8879   1.347   4.783   4.958
+ 2436SOL    HW1 8880   1.371   4.720   4.884
+ 2436SOL    HW2 8881   1.257   4.823   4.940
+ 2437SOL     OW 8882   1.302   4.579   4.033
+ 2437SOL    HW1 8883   1.216   4.548   4.075
+ 2437SOL    HW2 8884   1.298   4.565   3.934
+ 2438SOL     OW 8885   1.759   5.471   4.878
+ 2438SOL    HW1 8886   1.820   5.501   4.805
+ 2438SOL    HW2 8887   1.721   5.382   4.856
+ 2439SOL     OW 8888   1.252   5.455   4.852
+ 2439SOL    HW1 8889   1.336   5.460   4.798
+ 2439SOL    HW2 8890   1.229   5.359   4.870
+ 2440SOL     OW 8891   0.083   4.982   4.746
+ 2440SOL    HW1 8892   0.078   4.981   4.846
+ 2440SOL    HW2 8893   0.000   4.941   4.708
+ 2441SOL     OW 8894   0.688   5.386   5.440
+ 2441SOL    HW1 8895   0.632   5.467   5.449
+ 2441SOL    HW2 8896   0.740   5.390   5.354
+ 2442SOL     OW 8897   1.726   3.859   4.247
+ 2442SOL    HW1 8898   1.799   3.842   4.180
+ 2442SOL    HW2 8899   1.695   3.772   4.285
+ 2443SOL     OW 8900   1.388   5.297   4.201
+ 2443SOL    HW1 8901   1.455   5.309   4.127
+ 2443SOL    HW2 8902   1.348   5.386   4.224
+ 2444SOL     OW 8903   0.130   5.518   5.575
+ 2444SOL    HW1 8904   0.089   5.444   5.628
+ 2444SOL    HW2 8905   0.194   5.569   5.633
+ 2445SOL     OW 8906   1.280   4.651   4.396
+ 2445SOL    HW1 8907   1.340   4.570   4.398
+ 2445SOL    HW2 8908   1.320   4.720   4.336
+ 2446SOL     OW 8909   0.830   4.997   5.146
+ 2446SOL    HW1 8910   0.825   5.030   5.241
+ 2446SOL    HW2 8911   0.744   5.016   5.100
+ 2447SOL     OW 8912   0.672   5.340   3.878
+ 2447SOL    HW1 8913   0.681   5.350   3.779
+ 2447SOL    HW2 8914   0.632   5.251   3.899
+ 2448SOL     OW 8915   1.650   5.444   5.118
+ 2448SOL    HW1 8916   1.703   5.454   5.034
+ 2448SOL    HW2 8917   1.623   5.534   5.152
+ 2449SOL     OW 8918   1.841   3.899   4.687
+ 2449SOL    HW1 8919   1.880   3.814   4.651
+ 2449SOL    HW2 8920   1.743   3.901   4.668
+ 2450SOL     OW 8921   0.263   4.050   4.444
+ 2450SOL    HW1 8922   0.184   4.101   4.410
+ 2450SOL    HW2 8923   0.254   4.035   4.542
+ 2451SOL     OW 8924   1.194   5.336   3.755
+ 2451SOL    HW1 8925   1.200   5.243   3.792
+ 2451SOL    HW2 8926   1.135   5.336   3.675
+ 2452SOL     OW 8927   0.822   4.726   5.096
+ 2452SOL    HW1 8928   0.862   4.725   5.004
+ 2452SOL    HW2 8929   0.832   4.818   5.136
+ 2453SOL     OW 8930   0.916   4.634   4.015
+ 2453SOL    HW1 8931   0.979   4.672   3.947
+ 2453SOL    HW2 8932   0.956   4.551   4.054
+ 2454SOL     OW 8933   1.504   5.331   3.768
+ 2454SOL    HW1 8934   1.412   5.368   3.775
+ 2454SOL    HW2 8935   1.542   5.351   3.678
+ 2455SOL     OW 8936   0.372   5.012   5.214
+ 2455SOL    HW1 8937   0.359   5.105   5.180
+ 2455SOL    HW2 8938   0.288   4.960   5.201
+ 2456SOL     OW 8939   1.614   5.016   5.013
+ 2456SOL    HW1 8940   1.674   5.019   5.093
+ 2456SOL    HW2 8941   1.539   5.080   5.026
+ 2457SOL     OW 8942   1.039   4.822   4.420
+ 2457SOL    HW1 8943   0.969   4.775   4.474
+ 2457SOL    HW2 8944   1.098   4.754   4.377
+ 2458SOL     OW 8945   1.014   3.960   4.695
+ 2458SOL    HW1 8946   1.006   3.924   4.602
+ 2458SOL    HW2 8947   1.012   3.884   4.760
+ 2459SOL     OW 8948   0.590   5.211   4.215
+ 2459SOL    HW1 8949   0.632   5.153   4.145
+ 2459SOL    HW2 8950   0.546   5.290   4.171
+ 2460SOL     OW 8951   1.709   4.109   5.105
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+ 2460SOL    HW2 8953   1.737   4.034   5.046
+ 2461SOL     OW 8954   0.255   5.072   4.014
+ 2461SOL    HW1 8955   0.159   5.073   3.987
+ 2461SOL    HW2 8956   0.267   5.125   4.098
+ 2462SOL     OW 8957   0.105   4.737   5.450
+ 2462SOL    HW1 8958   0.028   4.704   5.504
+ 2462SOL    HW2 8959   0.190   4.707   5.492
+ 2463SOL     OW 8960   0.672   3.927   5.213
+ 2463SOL    HW1 8961   0.762   3.911   5.173
+ 2463SOL    HW2 8962   0.680   3.932   5.312
+ 2464SOL     OW 8963   0.075   4.069   3.757
+ 2464SOL    HW1 8964  -0.017   4.041   3.728
+ 2464SOL    HW2 8965   0.106   4.146   3.701
+ 2465SOL     OW 8966   1.440   4.580   5.122
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+ 2465SOL    HW2 8968   1.536   4.592   5.098
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+ 2467SOL     OW 8972   1.183   5.059   3.843
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+ 2468SOL    HW2 8977   0.672   4.486   5.158
+ 2469SOL     OW 8978   1.493   5.491   4.683
+ 2469SOL    HW1 8979   1.526   5.555   4.614
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+ 2470SOL    HW1 8982   0.735   4.354   5.506
+ 2470SOL    HW2 8983   0.776   4.209   5.441
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+ 2480SOL     OW 9011   0.859   4.680   4.585
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+ 2485SOL    HW1 9027   0.594   5.065   5.386
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+ 2577SOL    HW2 9304   0.072   4.354   7.039
+ 2578SOL     OW 9305   0.561   3.946   6.733
+ 2578SOL    HW1 9306   0.599   3.862   6.770
+ 2578SOL    HW2 9307   0.473   3.965   6.777
+ 2579SOL     OW 9308   0.866   4.178   6.228
+ 2579SOL    HW1 9309   0.834   4.250   6.166
+ 2579SOL    HW2 9310   0.890   4.097   6.175
+ 2580SOL     OW 9311   1.017   3.763   6.339
+ 2580SOL    HW1 9312   0.945   3.768   6.270
+ 2580SOL    HW2 9313   0.993   3.694   6.408
+ 2581SOL     OW 9314   1.429   4.897   6.453
+ 2581SOL    HW1 9315   1.374   4.813   6.446
+ 2581SOL    HW2 9316   1.455   4.926   6.361
+ 2582SOL     OW 9317   1.466   4.314   6.578
+ 2582SOL    HW1 9318   1.436   4.219   6.585
+ 2582SOL    HW2 9319   1.539   4.330   6.644
+ 2583SOL     OW 9320   1.857   4.557   5.963
+ 2583SOL    HW1 9321   1.899   4.493   6.027
+ 2583SOL    HW2 9322   1.819   4.506   5.885
+ 2584SOL     OW 9323   0.488   5.109   5.760
+ 2584SOL    HW1 9324   0.401   5.094   5.807
+ 2584SOL    HW2 9325   0.471   5.135   5.665
+ 2585SOL     OW 9326   1.664   5.004   6.243
+ 2585SOL    HW1 9327   1.763   5.012   6.257
+ 2585SOL    HW2 9328   1.619   5.088   6.274
+ 2586SOL     OW 9329   1.390   4.299   5.664
+ 2586SOL    HW1 9330   1.336   4.278   5.745
+ 2586SOL    HW2 9331   1.481   4.258   5.673
+ 2587SOL     OW 9332   0.527   3.980   5.914
+ 2587SOL    HW1 9333   0.554   3.921   5.839
+ 2587SOL    HW2 9334   0.527   4.075   5.883
+ 2588SOL     OW 9335   1.754   4.947   7.174
+ 2588SOL    HW1 9336   1.845   4.908   7.161
+ 2588SOL    HW2 9337   1.762   5.043   7.198
+ 2589SOL     OW 9338   1.064   5.071   6.926
+ 2589SOL    HW1 9339   0.984   5.048   6.981
+ 2589SOL    HW2 9340   1.147   5.045   6.975
+ 2590SOL     OW 9341   1.111   4.919   6.686
+ 2590SOL    HW1 9342   1.071   4.963   6.767
+ 2590SOL    HW2 9343   1.070   4.956   6.603
+ 2591SOL     OW 9344   1.638   4.823   6.665
+ 2591SOL    HW1 9345   1.643   4.904   6.724
+ 2591SOL    HW2 9346   1.552   4.825   6.614
+ 2592SOL     OW 9347   0.915   3.813   6.988
+ 2592SOL    HW1 9348   0.940   3.793   6.893
+ 2592SOL    HW2 9349   0.987   3.869   7.030
+ 2593SOL     OW 9350   0.705   4.774   5.954
+ 2593SOL    HW1 9351   0.691   4.781   6.053
+ 2593SOL    HW2 9352   0.789   4.723   5.936
+ 2594SOL     OW 9353   0.410   4.537   6.837
+ 2594SOL    HW1 9354   0.496   4.549   6.887
+ 2594SOL    HW2 9355   0.368   4.450   6.864
+ 2595SOL     OW 9356   1.274   4.110   6.848
+ 2595SOL    HW1 9357   1.295   4.184   6.912
+ 2595SOL    HW2 9358   1.185   4.127   6.805
+ 2596SOL     OW 9359   0.064   5.288   6.917
+ 2596SOL    HW1 9360   0.018   5.370   6.883
+ 2596SOL    HW2 9361   0.162   5.307   6.926
+ 2597SOL     OW 9362   0.367   4.824   6.087
+ 2597SOL    HW1 9363   0.360   4.907   6.031
+ 2597SOL    HW2 9364   0.371   4.744   6.027
+ 2598SOL     OW 9365   0.566   4.261   6.451
+ 2598SOL    HW1 9366   0.578   4.327   6.377
+ 2598SOL    HW2 9367   0.612   4.295   6.534
+ 2599SOL     OW 9368   1.252   5.072   5.974
+ 2599SOL    HW1 9369   1.302   5.149   6.014
+ 2599SOL    HW2 9370   1.157   5.074   6.006
+ 2600SOL     OW 9371   1.272   5.169   6.728
+ 2600SOL    HW1 9372   1.319   5.182   6.815
+ 2600SOL    HW2 9373   1.206   5.095   6.737
+ 2601SOL     OW 9374   1.582   4.363   6.058
+ 2601SOL    HW1 9375   1.551   4.424   6.131
+ 2601SOL    HW2 9376   1.632   4.415   5.989
+ 2602SOL     OW 9377   0.354   5.234   6.915
+ 2602SOL    HW1 9378   0.333   5.190   6.828
+ 2602SOL    HW2 9379   0.451   5.260   6.918
+ 2603SOL     OW 9380   0.402   4.475   7.184
+ 2603SOL    HW1 9381   0.470   4.530   7.137
+ 2603SOL    HW2 9382   0.442   4.387   7.211
+ 2604SOL     OW 9383   1.587   4.503   7.256
+ 2604SOL    HW1 9384   1.495   4.541   7.251
+ 2604SOL    HW2 9385   1.647   4.550   7.191
+ 2605SOL     OW 9386   0.573   4.594   6.615
+ 2605SOL    HW1 9387   0.617   4.683   6.606
+ 2605SOL    HW2 9388   0.510   4.594   6.692
+ 2606SOL     OW 9389   1.360   4.586   6.631
+ 2606SOL    HW1 9390   1.285   4.586   6.565
+ 2606SOL    HW2 9391   1.397   4.494   6.640
+ 2607SOL     OW 9392   1.209   4.249   5.861
+ 2607SOL    HW1 9393   1.222   4.165   5.915
+ 2607SOL    HW2 9394   1.180   4.323   5.921
+ 2608SOL     OW 9395   0.307   3.937   6.817
+ 2608SOL    HW1 9396   0.284   3.974   6.907
+ 2608SOL    HW2 9397   0.277   3.842   6.811
+ 2609SOL     OW 9398   0.037   5.034   6.868
+ 2609SOL    HW1 9399   0.090   4.985   6.936
+ 2609SOL    HW2 9400   0.059   5.132   6.873
+ 2610SOL     OW 9401   0.732   4.358   6.650
+ 2610SOL    HW1 9402   0.791   4.332   6.574
+ 2610SOL    HW2 9403   0.704   4.454   6.639
+ 2611SOL     OW 9404   0.307   3.787   6.204
+ 2611SOL    HW1 9405   0.296   3.881   6.237
+ 2611SOL    HW2 9406   0.302   3.724   6.281
+ 2612SOL     OW 9407   1.622   4.091   5.960
+ 2612SOL    HW1 9408   1.624   4.015   6.024
+ 2612SOL    HW2 9409   1.574   4.168   6.000
+ 2613SOL     OW 9410   1.023   4.490   6.552
+ 2613SOL    HW1 9411   1.038   4.511   6.648
+ 2613SOL    HW2 9412   0.993   4.395   6.543
+ 2614SOL     OW 9413   1.859   5.242   7.191
+ 2614SOL    HW1 9414   1.873   5.269   7.096
+ 2614SOL    HW2 9415   1.942   5.264   7.244
+ 2615SOL     OW 9416   1.540   3.998   5.711
+ 2615SOL    HW1 9417   1.479   3.923   5.734
+ 2615SOL    HW2 9418   1.562   4.050   5.794
+ 2616SOL     OW 9419   1.303   4.562   5.628
+ 2616SOL    HW1 9420   1.337   4.469   5.643
+ 2616SOL    HW2 9421   1.321   4.589   5.533
+ 2617SOL     OW 9422   1.068   5.057   6.435
+ 2617SOL    HW1 9423   1.075   4.973   6.380
+ 2617SOL    HW2 9424   1.130   5.126   6.399
+ 2618SOL     OW 9425   0.319   4.534   6.535
+ 2618SOL    HW1 9426   0.412   4.570   6.540
+ 2618SOL    HW2 9427   0.313   4.449   6.587
+ 2619SOL     OW 9428   0.339   4.233   6.592
+ 2619SOL    HW1 9429   0.287   4.150   6.575
+ 2619SOL    HW2 9430   0.416   4.238   6.528
+ 2620SOL     OW 9431   1.160   3.931   7.063
+ 2620SOL    HW1 9432   1.160   3.995   7.140
+ 2620SOL    HW2 9433   1.188   3.979   6.980
+ 2621SOL     OW 9434   0.008   5.050   5.786
+ 2621SOL    HW1 9435  -0.085   5.071   5.755
+ 2621SOL    HW2 9436   0.018   4.951   5.799
+ 2622SOL     OW 9437   0.088   5.525   6.513
+ 2622SOL    HW1 9438   0.046   5.439   6.486
+ 2622SOL    HW2 9439   0.182   5.528   6.479
+ 2623SOL     OW 9440   0.504   5.292   6.496
+ 2623SOL    HW1 9441   0.570   5.366   6.505
+ 2623SOL    HW2 9442   0.548   5.213   6.454
+ 2624SOL     OW 9443   1.002   4.520   6.824
+ 2624SOL    HW1 9444   1.043   4.488   6.910
+ 2624SOL    HW2 9445   0.906   4.493   6.821
+ 2625SOL     OW 9446   0.040   4.268   6.700
+ 2625SOL    HW1 9447   0.125   4.235   6.659
+ 2625SOL    HW2 9448   0.053   4.283   6.798
+ 2626SOL     OW 9449   0.815   4.296   5.911
+ 2626SOL    HW1 9450   0.822   4.207   5.865
+ 2626SOL    HW2 9451   0.721   4.330   5.903
+ 2627SOL     OW 9452   1.657   4.328   6.792
+ 2627SOL    HW1 9453   1.619   4.259   6.854
+ 2627SOL    HW2 9454   1.739   4.292   6.748
+ 2628SOL     OW 9455   0.252   5.288   7.330
+ 2628SOL    HW1 9456   0.222   5.345   7.406
+ 2628SOL    HW2 9457   0.245   5.191   7.356
+ 2629SOL     OW 9458   0.671   4.188   6.855
+ 2629SOL    HW1 9459   0.637   4.099   6.825
+ 2629SOL    HW2 9460   0.697   4.242   6.775
+ 2630SOL     OW 9461   0.930   5.402   7.051
+ 2630SOL    HW1 9462   0.906   5.384   6.956
+ 2630SOL    HW2 9463   0.960   5.496   7.061
+ 2631SOL     OW 9464   0.473   4.224   5.777
+ 2631SOL    HW1 9465   0.534   4.304   5.781
+ 2631SOL    HW2 9466   0.378   4.255   5.784
+ 2632SOL     OW 9467   0.159   4.861   7.052
+ 2632SOL    HW1 9468   0.181   4.800   7.128
+ 2632SOL    HW2 9469   0.169   4.812   6.966
+ 2633SOL     OW 9470   1.347   4.783   6.820
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+ 2634SOL     OW 9473   1.302   4.579   5.895
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+ 2634SOL    HW2 9475   1.298   4.565   5.796
+ 2635SOL     OW 9476   1.759   5.471   6.740
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+ 2636SOL     OW 9479   1.252   5.455   6.714
+ 2636SOL    HW1 9480   1.336   5.460   6.660
+ 2636SOL    HW2 9481   1.229   5.359   6.732
+ 2637SOL     OW 9482   0.083   4.982   6.608
+ 2637SOL    HW1 9483   0.078   4.981   6.708
+ 2637SOL    HW2 9484   0.000   4.941   6.570
+ 2638SOL     OW 9485   1.726   3.859   6.109
+ 2638SOL    HW1 9486   1.799   3.842   6.042
+ 2638SOL    HW2 9487   1.695   3.772   6.147
+ 2639SOL     OW 9488   1.388   5.297   6.063
+ 2639SOL    HW1 9489   1.455   5.309   5.989
+ 2639SOL    HW2 9490   1.348   5.386   6.086
+ 2640SOL     OW 9491   1.280   4.651   6.258
+ 2640SOL    HW1 9492   1.340   4.570   6.260
+ 2640SOL    HW2 9493   1.320   4.720   6.198
+ 2641SOL     OW 9494   0.830   4.997   7.008
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+ 2641SOL    HW2 9496   0.744   5.016   6.962
+ 2642SOL     OW 9497   0.672   5.340   5.740
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+ 2642SOL    HW2 9499   0.632   5.251   5.761
+ 2643SOL     OW 9500   1.650   5.444   6.980
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+ 2645SOL     OW 9506   0.263   4.050   6.306
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+ 2646SOL     OW 9509   1.194   5.336   5.617
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+ 2651SOL     OW 9524   1.614   5.016   6.875
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+ 2654SOL     OW 9533   0.590   5.211   6.077
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+ 2655SOL     OW 9536   1.709   4.109   6.967
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+ 2695SOL     OW 9656   0.569   6.861   1.165
+ 2695SOL    HW1 9657   0.476   6.854   1.128
+ 2695SOL    HW2 9658   0.580   6.950   1.209
+ 2696SOL     OW 9659   1.555   7.097   0.703
+ 2696SOL    HW1 9660   1.498   7.081   0.784
+ 2696SOL    HW2 9661   1.496   7.107   0.623
+ 2697SOL     OW 9662   1.135   6.289   0.717
+ 2697SOL    HW1 9663   1.192   6.367   0.692
+ 2697SOL    HW2 9664   1.075   6.315   0.793
+ 2698SOL     OW 9665   1.755   6.193   0.231
+ 2698SOL    HW1 9666   1.743   6.180   0.132
+ 2698SOL    HW2 9667   1.725   6.112   0.280
+ 2699SOL     OW 9668   0.768   6.730   1.023
+ 2699SOL    HW1 9669   0.690   6.747   1.083
+ 2699SOL    HW2 9670   0.802   6.817   0.987
+ 2700SOL     OW 9671   0.850   6.384   1.823
+ 2700SOL    HW1 9672   0.846   6.460   1.888
+ 2700SOL    HW2 9673   0.872   6.420   1.732
+ 2701SOL     OW 9674   0.685   6.598   0.665
+ 2701SOL    HW1 9675   0.754   6.582   0.735
+ 2701SOL    HW2 9676   0.612   6.655   0.703
+ 2702SOL     OW 9677   0.686   6.747   1.803
+ 2702SOL    HW1 9678   0.746   6.826   1.817
+ 2702SOL    HW2 9679   0.600   6.778   1.762
+ 2703SOL     OW 9680   0.335   7.021   1.061
+ 2703SOL    HW1 9681   0.257   6.990   1.008
+ 2703SOL    HW2 9682   0.393   7.079   1.004
+ 2704SOL     OW 9683   1.460   7.091   1.339
+ 2704SOL    HW1 9684   1.484   7.185   1.365
+ 2704SOL    HW2 9685   1.444   7.037   1.421
+ 2705SOL     OW 9686   0.438   5.978   1.499
+ 2705SOL    HW1 9687   0.520   5.922   1.508
+ 2705SOL    HW2 9688   0.357   5.920   1.503
+ 2706SOL     OW 9689   1.603   6.033   0.737
+ 2706SOL    HW1 9690   1.529   6.079   0.687
+ 2706SOL    HW2 9691   1.654   6.101   0.790
+ 2707SOL     OW 9692   1.127   6.927   1.690
+ 2707SOL    HW1 9693   1.174   6.927   1.778
+ 2707SOL    HW2 9694   1.079   6.840   1.679
+ 2708SOL     OW 9695   0.230   7.020   0.538
+ 2708SOL    HW1 9696   0.204   7.116   0.538
+ 2708SOL    HW2 9697   0.159   6.966   0.583
+ 2709SOL     OW 9698   0.240   6.677   0.886
+ 2709SOL    HW1 9699   0.254   6.593   0.938
+ 2709SOL    HW2 9700   0.185   6.741   0.941
+ 2710SOL     OW 9701   0.606   6.550   0.123
+ 2710SOL    HW1 9702   0.613   6.634   0.069
+ 2710SOL    HW2 9703   0.652   6.563   0.211
+ 2711SOL     OW 9704   1.594   5.700   1.480
+ 2711SOL    HW1 9705   1.576   5.767   1.408
+ 2711SOL    HW2 9706   1.591   5.746   1.569
+ 2712SOL     OW 9707   0.122   6.229   0.563
+ 2712SOL    HW1 9708   0.077   6.141   0.580
+ 2712SOL    HW2 9709   0.121   6.283   0.647
+ 2713SOL     OW 9710   0.027   7.182   0.117
+ 2713SOL    HW1 9711   0.008   7.086   0.138
+ 2713SOL    HW2 9712  -0.006   7.240   0.192
+ 2714SOL     OW 9713   1.689   6.508   0.612
+ 2714SOL    HW1 9714   1.784   6.479   0.620
+ 2714SOL    HW2 9715   1.681   6.573   0.537
+ 2715SOL     OW 9716   1.641   6.694   0.432
+ 2715SOL    HW1 9717   1.727   6.696   0.380
+ 2715SOL    HW2 9718   1.655   6.741   0.520
+ 2716SOL     OW 9719   0.113   6.323   1.597
+ 2716SOL    HW1 9720   0.201   6.310   1.642
+ 2716SOL    HW2 9721   0.100   6.420   1.575
+ 2717SOL     OW 9722   0.613   6.951   0.726
+ 2717SOL    HW1 9723   0.564   6.864   0.735
+ 2717SOL    HW2 9724   0.590   6.994   0.639
+ 2718SOL     OW 9725   1.293   6.814   1.423
+ 2718SOL    HW1 9726   1.330   6.741   1.365
+ 2718SOL    HW2 9727   1.345   6.819   1.508
+ 2719SOL     OW 9728   0.809   5.590   0.502
+ 2719SOL    HW1 9729   0.849   5.681   0.493
+ 2719SOL    HW2 9730   0.709   5.598   0.508
+ 2720SOL     OW 9731   0.197   6.562   1.264
+ 2720SOL    HW1 9732   0.286   6.517   1.250
+ 2720SOL    HW2 9733   0.124   6.497   1.245
+ 2721SOL     OW 9734   1.525   6.585   0.190
+ 2721SOL    HW1 9735   1.462   6.509   0.203
+ 2721SOL    HW2 9736   1.573   6.603   0.276
+ 2722SOL     OW 9737   0.317   5.837   1.801
+ 2722SOL    HW1 9738   0.388   5.908   1.807
+ 2722SOL    HW2 9739   0.229   5.876   1.829
+ 2723SOL     OW 9740   1.466   7.003   0.953
+ 2723SOL    HW1 9741   1.407   7.009   1.033
+ 2723SOL    HW2 9742   1.451   6.915   0.907
+ 2724SOL     OW 9743   0.598   6.315   0.270
+ 2724SOL    HW1 9744   0.622   6.384   0.202
+ 2724SOL    HW2 9745   0.520   6.348   0.324
+ 2725SOL     OW 9746   1.281   5.931   0.944
+ 2725SOL    HW1 9747   1.195   5.881   0.931
+ 2725SOL    HW2 9748   1.343   5.877   1.000
+ 2726SOL     OW 9749   1.576   7.248   0.307
+ 2726SOL    HW1 9750   1.665   7.294   0.310
+ 2726SOL    HW2 9751   1.555   7.224   0.212
+ 2727SOL     OW 9752   0.807   6.191   1.465
+ 2727SOL    HW1 9753   0.760   6.188   1.554
+ 2727SOL    HW2 9754   0.756   6.136   1.399
+ 2728SOL     OW 9755   1.394   6.055   1.674
+ 2728SOL    HW1 9756   1.374   6.098   1.762
+ 2728SOL    HW2 9757   1.472   5.993   1.683
+ 2729SOL     OW 9758   0.973   6.476   1.572
+ 2729SOL    HW1 9759   1.019   6.392   1.543
+ 2729SOL    HW2 9760   0.917   6.510   1.497
+ 2730SOL     OW 9761   0.991   5.996   1.242
+ 2730SOL    HW1 9762   0.914   6.030   1.296
+ 2730SOL    HW2 9763   0.957   5.945   1.163
+ 2731SOL     OW 9764   1.041   6.287   0.429
+ 2731SOL    HW1 9765   1.067   6.283   0.525
+ 2731SOL    HW2 9766   0.956   6.236   0.415
+ 2732SOL     OW 9767   0.076   6.397   0.789
+ 2732SOL    HW1 9768   0.175   6.385   0.798
+ 2732SOL    HW2 9769   0.052   6.492   0.810
+ 2733SOL     OW 9770   0.130   7.407   1.571
+ 2733SOL    HW1 9771   0.120   7.392   1.670
+ 2733SOL    HW2 9772   0.044   7.443   1.535
+ 2734SOL     OW 9773   0.865   5.934   0.195
+ 2734SOL    HW1 9774   0.924   5.997   0.146
+ 2734SOL    HW2 9775   0.884   5.840   0.166
+ 2735SOL     OW 9776   1.719   6.171   1.831
+ 2735SOL    HW1 9777   1.693   6.260   1.795
+ 2735SOL    HW2 9778   1.717   6.103   1.758
+ 2736SOL     OW 9779   1.362   6.730   0.545
+ 2736SOL    HW1 9780   1.445   6.701   0.497
+ 2736SOL    HW2 9781   1.313   6.797   0.489
+ 2737SOL     OW 9782   0.550   5.782   0.885
+ 2737SOL    HW1 9783   0.545   5.777   0.985
+ 2737SOL    HW2 9784   0.552   5.878   0.856
+ 2738SOL     OW 9785   1.008   7.042   0.477
+ 2738SOL    HW1 9786   0.962   7.114   0.425
+ 2738SOL    HW2 9787   1.004   7.062   0.575
+ 2739SOL     OW 9788   0.351   7.387   0.853
+ 2739SOL    HW1 9789   0.401   7.301   0.859
+ 2739SOL    HW2 9790   0.416   7.464   0.850
+ 2740SOL     OW 9791   1.795   6.652   0.873
+ 2740SOL    HW1 9792   1.733   6.637   0.797
+ 2740SOL    HW2 9793   1.743   6.663   0.958
+ 2741SOL     OW 9794   1.227   7.136   1.506
+ 2741SOL    HW1 9795   1.233   7.059   1.570
+ 2741SOL    HW2 9796   1.175   7.110   1.426
+ 2742SOL     OW 9797   0.321   6.529   0.242
+ 2742SOL    HW1 9798   0.403   6.568   0.200
+ 2742SOL    HW2 9799   0.294   6.447   0.193
+ 2743SOL     OW 9800   1.458   6.321   0.728
+ 2743SOL    HW1 9801   1.453   6.256   0.803
+ 2743SOL    HW2 9802   1.538   6.380   0.741
+ 2744SOL     OW 9803   0.461   6.852   1.727
+ 2744SOL    HW1 9804   0.411   6.853   1.641
+ 2744SOL    HW2 9805   0.398   6.834   1.803
+ 2745SOL     OW 9806   0.202   5.871   1.498
+ 2745SOL    HW1 9807   0.122   5.931   1.485
+ 2745SOL    HW2 9808   0.192   5.822   1.584
+ 2746SOL     OW 9809   1.632   6.963   0.081
+ 2746SOL    HW1 9810   1.600   7.057   0.071
+ 2746SOL    HW2 9811   1.556   6.900   0.069
+ 2747SOL     OW 9812   1.400   5.693   0.426
+ 2747SOL    HW1 9813   1.376   5.656   0.336
+ 2747SOL    HW2 9814   1.499   5.709   0.430
+ 2748SOL     OW 9815   0.382   6.286   0.480
+ 2748SOL    HW1 9816   0.427   6.196   0.477
+ 2748SOL    HW2 9817   0.288   6.275   0.513
+ 2749SOL     OW 9818   1.547   5.808   1.729
+ 2749SOL    HW1 9819   1.542   5.845   1.821
+ 2749SOL    HW2 9820   1.475   5.739   1.717
+ 2750SOL     OW 9821   0.614   5.708   0.117
+ 2750SOL    HW1 9822   0.712   5.686   0.124
+ 2750SOL    HW2 9823   0.583   5.691   0.024
+ 2751SOL     OW 9824   0.781   5.850   1.749
+ 2751SOL    HW1 9825   0.848   5.789   1.792
+ 2751SOL    HW2 9826   0.708   5.869   1.814
+ 2752SOL     OW 9827   0.888   7.100   1.195
+ 2752SOL    HW1 9828   0.865   7.075   1.101
+ 2752SOL    HW2 9829   0.949   7.031   1.234
+ 2753SOL     OW 9830   1.351   6.176   1.433
+ 2753SOL    HW1 9831   1.379   6.133   1.518
+ 2753SOL    HW2 9832   1.376   6.272   1.434
+ 2754SOL     OW 9833   0.803   6.988   0.924
+ 2754SOL    HW1 9834   0.893   7.002   0.882
+ 2754SOL    HW2 9835   0.732   6.990   0.853
+ 2755SOL     OW 9836   0.922   6.089   0.899
+ 2755SOL    HW1 9837   0.897   6.080   0.803
+ 2755SOL    HW2 9838   0.970   6.007   0.930
+ 2756SOL     OW 9839   0.539   5.650   0.512
+ 2756SOL    HW1 9840   0.458   5.651   0.570
+ 2756SOL    HW2 9841   0.542   5.733   0.457
+ 2757SOL     OW 9842   1.434   6.774   0.041
+ 2757SOL    HW1 9843   1.466   6.698   0.098
+ 2757SOL    HW2 9844   1.342   6.801   0.071
+ 2758SOL     OW 9845   0.297   5.621   0.171
+ 2758SOL    HW1 9846   0.346   5.705   0.150
+ 2758SOL    HW2 9847   0.359   5.556   0.216
+ 2759SOL     OW 9848   0.935   5.822   0.480
+ 2759SOL    HW1 9849   0.887   5.863   0.402
+ 2759SOL    HW2 9850   1.034   5.820   0.461
+ 2760SOL     OW 9851   1.076   6.269   1.464
+ 2760SOL    HW1 9852   0.996   6.208   1.467
+ 2760SOL    HW2 9853   1.157   6.216   1.440
+ 2761SOL     OW 9854   1.227   7.156   0.793
+ 2761SOL    HW1 9855   1.248   7.230   0.728
+ 2761SOL    HW2 9856   1.295   7.156   0.866
+ 2762SOL     OW 9857   0.459   6.738   0.741
+ 2762SOL    HW1 9858   0.388   6.711   0.806
+ 2762SOL    HW2 9859   0.433   6.710   0.648
+ 2763SOL     OW 9860   1.032   6.135   0.016
+ 2763SOL    HW1 9861   0.991   6.217  -0.023
+ 2763SOL    HW2 9862   1.096   6.161   0.089
+ 2764SOL     OW 9863   0.078   6.142   1.386
+ 2764SOL    HW1 9864   0.170   6.141   1.345
+ 2764SOL    HW2 9865   0.072   6.216   1.453
+ 2765SOL     OW 9866   0.561   5.808   1.147
+ 2765SOL    HW1 9867   0.599   5.724   1.184
+ 2765SOL    HW2 9868   0.473   5.827   1.191
+ 2766SOL     OW 9869   0.866   6.040   0.642
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+ 2767SOL     OW 9872   1.017   5.625   0.753
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+ 2768SOL     OW 9875   1.429   6.759   0.867
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+ 2769SOL     OW 9878   1.466   6.176   0.992
+ 2769SOL    HW1 9879   1.436   6.081   0.999
+ 2769SOL    HW2 9880   1.539   6.192   1.058
+ 2770SOL     OW 9881   1.857   6.419   0.377
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+ 2771SOL     OW 9884   0.488   6.971   0.174
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+ 2772SOL     OW 9887   1.664   6.866   0.657
+ 2772SOL    HW1 9888   1.763   6.874   0.671
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+ 2773SOL     OW 9890   1.390   6.161   0.078
+ 2773SOL    HW1 9891   1.336   6.140   0.159
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+ 2774SOL     OW 9893   0.527   5.842   0.328
+ 2774SOL    HW1 9894   0.554   5.783   0.253
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+ 2775SOL     OW 9896   1.754   6.809   1.588
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+ 2776SOL     OW 9899   1.064   6.933   1.340
+ 2776SOL    HW1 9900   0.984   6.910   1.395
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+ 2777SOL     OW 9902   1.592   7.215   1.625
+ 2777SOL    HW1 9903   1.619   7.249   1.535
+ 2777SOL    HW2 9904   1.671   7.177   1.671
+ 2778SOL     OW 9905   1.111   6.781   1.100
+ 2778SOL    HW1 9906   1.071   6.825   1.181
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+ 2779SOL     OW 9908   1.638   6.685   1.079
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+ 2779SOL    HW2 9910   1.552   6.687   1.028
+ 2780SOL     OW 9911   0.915   5.675   1.402
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+ 2781SOL    HW1 9915   0.881   6.708   1.729
+ 2781SOL    HW2 9916   1.003   6.622   1.663
+ 2782SOL     OW 9917   0.705   6.636   0.368
+ 2782SOL    HW1 9918   0.691   6.643   0.467
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+ 2784SOL     OW 9923   1.274   5.972   1.262
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+ 2785SOL     OW 9926   0.064   7.150   1.331
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+ 2786SOL     OW 9929   0.367   6.686   0.501
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+ 2787SOL    HW1 9933   0.578   6.189   0.791
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+ 2788SOL    HW1 9936   1.302   7.011   0.428
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+ 2789SOL     OW 9938   1.272   7.031   1.142
+ 2789SOL    HW1 9939   1.319   7.044   1.229
+ 2789SOL    HW2 9940   1.206   6.957   1.151
+ 2790SOL     OW 9941   1.582   6.225   0.472
+ 2790SOL    HW1 9942   1.551   6.286   0.545
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+ 2791SOL     OW 9944   0.354   7.096   1.329
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+ 2792SOL     OW 9947   0.402   6.337   1.598
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+ 2793SOL     OW 9950   1.587   6.365   1.670
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+ 2797SOL     OW 9962   1.360   6.448   1.045
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+ 2798SOL     OW 9965   1.209   6.111   0.275
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+ 2800SOL     OW 9971   0.037   6.896   1.282
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+ 2801SOL     OW 9974   0.732   6.220   1.064
+ 2801SOL    HW1 9975   0.791   6.194   0.988
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+ 2802SOL     OW 9977   1.728   6.521   1.854
+ 2802SOL    HW1 9978   1.682   6.514   1.765
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+ 2804SOL     OW 9983   1.622   5.953   0.374
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+ 2806SOL     OW 9989   0.980   7.159   1.700
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+ 2808SOL     OW 9995   0.350   6.484   1.804
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+ 2809SOL     OW 9998   1.540   5.860   0.125
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+ 2809SOL    HW210000   1.562   5.912   0.208
+ 2810SOL     OW10001   1.303   6.424   0.042
+ 2810SOL    HW110002   1.337   6.331   0.057
+ 2810SOL    HW210003   1.321   6.451  -0.053
+ 2811SOL     OW10004   1.068   6.919   0.849
+ 2811SOL    HW110005   1.075   6.835   0.794
+ 2811SOL    HW210006   1.130   6.988   0.813
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+ 2812SOL    HW110008   0.412   6.432   0.954
+ 2812SOL    HW210009   0.313   6.311   1.001
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+12237SOL    HW138283   6.969   6.494   6.921
+12237SOL    HW238284   7.122   6.454   6.960
+12238SOL     OW38285   5.658   5.752   5.904
+12238SOL    HW138286   5.641   5.835   5.850
+12238SOL    HW238287   5.748   5.715   5.882
+12239SOL     OW38288   6.769   6.921   5.705
+12239SOL    HW138289   6.670   6.910   5.707
+12239SOL    HW238290   6.803   6.936   5.798
+12240SOL     OW38291   6.199   6.428   7.017
+12240SOL    HW138292   6.255   6.509   7.000
+12240SOL    HW238293   6.258   6.348   7.020
+12241SOL     OW38294   7.079   7.353   6.545
+12241SOL    HW138295   7.112   7.417   6.476
+12241SOL    HW238296   7.145   7.347   6.620
+12242SOL     OW38297   6.302   6.151   7.294
+12242SOL    HW138298   6.321   6.216   7.368
+12242SOL    HW238299   6.362   6.071   7.303
+12243SOL     OW38300   5.976   7.327   7.146
+12243SOL    HW138301   5.885   7.368   7.144
+12243SOL    HW238302   5.969   7.233   7.178
+12244SOL     OW38303   7.260   6.469   6.840
+12244SOL    HW138304   7.233   6.380   6.803
+12244SOL    HW238305   7.261   6.537   6.767
+12245SOL     OW38306   6.811   5.911   6.035
+12245SOL    HW138307   6.876   5.837   6.024
+12245SOL    HW238308   6.831   5.961   6.119
+12246SOL     OW38309   6.180   6.331   6.238
+12246SOL    HW138310   6.230   6.416   6.219
+12246SOL    HW238311   6.092   6.333   6.190
+12247SOL     OW38312   7.316   6.520   7.103
+12247SOL    HW138313   7.354   6.611   7.118
+12247SOL    HW238314   7.308   6.503   7.004
+12248SOL     OW38315   6.445   6.960   5.602
+12248SOL    HW138316   6.399   6.975   5.690
+12248SOL    HW238317   6.489   7.045   5.572
+12249SOL     OW38318   6.445   6.542   6.447
+12249SOL    HW138319   6.499   6.473   6.495
+12249SOL    HW238320   6.413   6.611   6.513
+12250SOL     OW38321   6.669   6.570   5.673
+12250SOL    HW138322   6.646   6.623   5.591
+12250SOL    HW238323   6.750   6.514   5.654
+12251SOL     OW38324   7.447   7.155   6.437
+12251SOL    HW138325   7.376   7.143   6.367
+12251SOL    HW238326   7.448   7.076   6.497
+12252SOL     OW38327   5.665   6.826   6.239
+12252SOL    HW138328   5.664   6.779   6.327
+12252SOL    HW238329   5.747   6.798   6.188
+12253SOL     OW38330   6.258   6.977   7.210
+12253SOL    HW138331   6.180   6.927   7.248
+12253SOL    HW238332   6.255   7.072   7.241
+12254SOL     OW38333   7.410   5.778   6.813
+12254SOL    HW138334   7.406   5.688   6.857
+12254SOL    HW238335   7.413   5.767   6.714
+12255SOL     OW38336   6.014   6.010   6.106
+12255SOL    HW138337   6.044   5.938   6.044
+12255SOL    HW238338   5.975   5.970   6.189
+12256SOL     OW38339   5.903   6.133   6.866
+12256SOL    HW138340   5.941   6.074   6.938
+12256SOL    HW238341   5.943   6.107   6.778
+12257SOL     OW38342   6.398   7.172   6.273
+12257SOL    HW138343   6.430   7.182   6.179
+12257SOL    HW238344   6.319   7.110   6.275
+12258SOL     OW38345   7.010   5.800   6.698
+12258SOL    HW138346   7.062   5.735   6.753
+12258SOL    HW238347   6.961   5.863   6.759
+12259SOL     OW38348   6.587   5.620   6.740
+12259SOL    HW138349   6.524   5.548   6.709
+12259SOL    HW238350   6.680   5.584   6.740
+12260SOL     OW38351   6.356   6.916   5.887
+12260SOL    HW138352   6.310   6.829   5.904
+12260SOL    HW238353   6.447   6.913   5.928
+12261SOL     OW38354   6.204   7.153   6.870
+12261SOL    HW138355   6.199   7.235   6.927
+12261SOL    HW238356   6.293   7.150   6.825
+12262SOL     OW38357   6.938   5.638   5.754
+12262SOL    HW138358   6.973   5.597   5.670
+12262SOL    HW238359   6.848   5.600   5.774
+12263SOL     OW38360   6.886   6.039   6.277
+12263SOL    HW138361   6.827   6.119   6.281
+12263SOL    HW238362   6.901   6.004   6.370
+12264SOL     OW38363   7.179   5.807   6.468
+12264SOL    HW138364   7.095   5.806   6.522
+12264SOL    HW238365   7.181   5.890   6.412
+12265SOL     OW38366   5.625   6.663   5.886
+12265SOL    HW138367   5.724   6.652   5.877
+12265SOL    HW238368   5.585   6.577   5.918
+12266CL      CL38369   1.638   2.961   6.665
+12267CL      CL38370   1.014   5.822   2.833
+12268CL      CL38371   4.539   0.572   5.911
+12269CL      CL38372   4.031   3.787   0.618
+12270CL      CL38373   4.492   4.868   4.747
+12271CL      CL38374   5.835   5.509   4.965
+12272CL      CL38375   6.974   7.159   0.477
+12273CL      CL38376   7.044   6.321   2.590
+   7.33925   7.33925   7.33925
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/topol_solv.top	Tue Nov 30 10:00:44 2021 +0000
@@ -0,0 +1,18411 @@
+;
+;	File 'topol.top' was generated
+;	By user: unknown (1000)
+;	On host: simon-notebook
+;	At date: Wed Aug 28 14:35:18 2019
+;
+;	This is a standalone topology file
+;
+;	Created by:
+;	                    :-) GROMACS - gmx pdb2gmx, 2019.1 (-:
+;	
+;	Executable:   /home/simon/miniconda3/envs/gmx/bin/gmx
+;	Data prefix:  /home/simon/miniconda3/envs/gmx
+;	Working dir:  /home/simon/Repos/galaxy-tools-compchem/tools/gromacs
+;	Command line:
+;	  gmx pdb2gmx -f test-data/1AKI.pdb -o processed.gro -p topol.top -i posres.itp -water spce -ff oplsaa -noignh
+;	Force field was read from the standard GROMACS share directory.
+;
+
+; Include forcefield parameters
+#include "oplsaa.ff/forcefield.itp"
+
+[ moleculetype ]
+; Name            nrexcl
+Protein_chain_A     3
+
+[ atoms ]
+;   nr       type  resnr residue  atom   cgnr     charge       mass  typeB    chargeB      massB
+; residue   1 LYS rtp LYSH q +2.0
+     1   opls_287      1    LYS      N      1       -0.3    14.0027
+     2   opls_290      1    LYS     H1      1       0.33      1.008
+     3   opls_290      1    LYS     H2      1       0.33      1.008
+     4   opls_290      1    LYS     H3      1       0.33      1.008
+     5  opls_293B      1    LYS     CA      1       0.25     12.011
+     6   opls_140      1    LYS     HA      1       0.06      1.008
+     7   opls_136      1    LYS     CB      2      -0.12     12.011
+     8   opls_140      1    LYS    HB1      2       0.06      1.008
+     9   opls_140      1    LYS    HB2      2       0.06      1.008
+    10   opls_136      1    LYS     CG      3      -0.12     12.011
+    11   opls_140      1    LYS    HG1      3       0.06      1.008
+    12   opls_140      1    LYS    HG2      3       0.06      1.008
+    13   opls_136      1    LYS     CD      4      -0.12     12.011
+    14   opls_140      1    LYS    HD1      4       0.06      1.008
+    15   opls_140      1    LYS    HD2      4       0.06      1.008
+    16   opls_292      1    LYS     CE      5       0.19     12.011
+    17   opls_140      1    LYS    HE1      5       0.06      1.008
+    18   opls_140      1    LYS    HE2      5       0.06      1.008
+    19   opls_287      1    LYS     NZ      6       -0.3    14.0067
+    20   opls_290      1    LYS    HZ1      6       0.33      1.008
+    21   opls_290      1    LYS    HZ2      6       0.33      1.008
+    22   opls_290      1    LYS    HZ3      6       0.33      1.008
+    23   opls_235      1    LYS      C      7        0.5     12.011
+    24   opls_236      1    LYS      O      7       -0.5    15.9994   ; qtot 2
+; residue   2 VAL rtp VAL  q  0.0
+    25   opls_238      2    VAL      N      8       -0.5    14.0067
+    26   opls_241      2    VAL      H      8        0.3      1.008
+    27  opls_224B      2    VAL     CA      8       0.14     12.011
+    28   opls_140      2    VAL     HA      8       0.06      1.008
+    29   opls_137      2    VAL     CB      9      -0.06     12.011
+    30   opls_140      2    VAL     HB      9       0.06      1.008
+    31   opls_135      2    VAL    CG1     10      -0.18     12.011
+    32   opls_140      2    VAL   HG11     10       0.06      1.008
+    33   opls_140      2    VAL   HG12     10       0.06      1.008
+    34   opls_140      2    VAL   HG13     10       0.06      1.008
+    35   opls_135      2    VAL    CG2     11      -0.18     12.011
+    36   opls_140      2    VAL   HG21     11       0.06      1.008
+    37   opls_140      2    VAL   HG22     11       0.06      1.008
+    38   opls_140      2    VAL   HG23     11       0.06      1.008
+    39   opls_235      2    VAL      C     12        0.5     12.011
+    40   opls_236      2    VAL      O     12       -0.5    15.9994   ; qtot 2
+; residue   3 PHE rtp PHE  q  0.0
+    41   opls_238      3    PHE      N     13       -0.5    14.0067
+    42   opls_241      3    PHE      H     13        0.3      1.008
+    43  opls_224B      3    PHE     CA     13       0.14     12.011
+    44   opls_140      3    PHE     HA     13       0.06      1.008
+    45   opls_149      3    PHE     CB     14     -0.005     12.011
+    46   opls_140      3    PHE    HB1     14       0.06      1.008
+    47   opls_140      3    PHE    HB2     14       0.06      1.008
+    48   opls_145      3    PHE     CG     14     -0.115     12.011
+    49   opls_145      3    PHE    CD1     15     -0.115     12.011
+    50   opls_146      3    PHE    HD1     15      0.115      1.008
+    51   opls_145      3    PHE    CD2     16     -0.115     12.011
+    52   opls_146      3    PHE    HD2     16      0.115      1.008
+    53   opls_145      3    PHE    CE1     17     -0.115     12.011
+    54   opls_146      3    PHE    HE1     17      0.115      1.008
+    55   opls_145      3    PHE    CE2     18     -0.115     12.011
+    56   opls_146      3    PHE    HE2     18      0.115      1.008
+    57   opls_145      3    PHE     CZ     19     -0.115     12.011
+    58   opls_146      3    PHE     HZ     19      0.115      1.008
+    59   opls_235      3    PHE      C     20        0.5     12.011
+    60   opls_236      3    PHE      O     20       -0.5    15.9994   ; qtot 2
+; residue   4 GLY rtp GLY  q  0.0
+    61   opls_238      4    GLY      N     21       -0.5    14.0067
+    62   opls_241      4    GLY      H     21        0.3      1.008
+    63  opls_223B      4    GLY     CA     21       0.08     12.011
+    64   opls_140      4    GLY    HA1     21       0.06      1.008
+    65   opls_140      4    GLY    HA2     21       0.06      1.008
+    66   opls_235      4    GLY      C     22        0.5     12.011
+    67   opls_236      4    GLY      O     22       -0.5    15.9994   ; qtot 2
+; residue   5 ARG rtp ARG  q +1.0
+    68   opls_238      5    ARG      N     23       -0.5    14.0067
+    69   opls_241      5    ARG      H     23        0.3      1.008
+    70  opls_224B      5    ARG     CA     23       0.14     12.011
+    71   opls_140      5    ARG     HA     23       0.06      1.008
+    72   opls_136      5    ARG     CB     24      -0.12     12.011
+    73   opls_140      5    ARG    HB1     24       0.06      1.008
+    74   opls_140      5    ARG    HB2     24       0.06      1.008
+    75   opls_308      5    ARG     CG     25      -0.05     12.011
+    76   opls_140      5    ARG    HG1     25       0.06      1.008
+    77   opls_140      5    ARG    HG2     25       0.06      1.008
+    78   opls_307      5    ARG     CD     26       0.19     12.011
+    79   opls_140      5    ARG    HD1     26       0.06      1.008
+    80   opls_140      5    ARG    HD2     26       0.06      1.008
+    81   opls_303      5    ARG     NE     27       -0.7    14.0067
+    82   opls_304      5    ARG     HE     27       0.44      1.008
+    83   opls_302      5    ARG     CZ     27       0.64     12.011
+    84   opls_300      5    ARG    NH1     28       -0.8    14.0067
+    85   opls_301      5    ARG   HH11     28       0.46      1.008
+    86   opls_301      5    ARG   HH12     28       0.46      1.008
+    87   opls_300      5    ARG    NH2     29       -0.8    14.0067
+    88   opls_301      5    ARG   HH21     29       0.46      1.008
+    89   opls_301      5    ARG   HH22     29       0.46      1.008
+    90   opls_235      5    ARG      C     30        0.5     12.011
+    91   opls_236      5    ARG      O     30       -0.5    15.9994   ; qtot 3
+; residue   6 CYS rtp CYS2 q  0.0
+    92   opls_238      6    CYS      N     31       -0.5    14.0067
+    93   opls_241      6    CYS      H     31        0.3      1.008
+    94  opls_224B      6    CYS     CA     31       0.14     12.011
+    95   opls_140      6    CYS     HA     31       0.06      1.008
+    96   opls_214      6    CYS     CB     32     0.0975     12.011
+    97   opls_140      6    CYS    HB1     32       0.06      1.008
+    98   opls_140      6    CYS    HB2     32       0.06      1.008
+    99   opls_203      6    CYS     SG     32    -0.2175      32.06
+   100   opls_235      6    CYS      C     33        0.5     12.011
+   101   opls_236      6    CYS      O     33       -0.5    15.9994   ; qtot 3
+; residue   7 GLU rtp GLU  q -1.0
+   102   opls_238      7    GLU      N     34       -0.5    14.0067
+   103   opls_241      7    GLU      H     34        0.3      1.008
+   104  opls_224B      7    GLU     CA     34       0.14     12.011
+   105   opls_140      7    GLU     HA     34       0.06      1.008
+   106   opls_136      7    GLU     CB     35      -0.12     12.011
+   107   opls_140      7    GLU    HB1     35       0.06      1.008
+   108   opls_140      7    GLU    HB2     35       0.06      1.008
+   109   opls_274      7    GLU     CG     36      -0.22     12.011
+   110   opls_140      7    GLU    HG1     36       0.06      1.008
+   111   opls_140      7    GLU    HG2     36       0.06      1.008
+   112   opls_271      7    GLU     CD     37        0.7     12.011
+   113   opls_272      7    GLU    OE1     37       -0.8    15.9994
+   114   opls_272      7    GLU    OE2     37       -0.8    15.9994
+   115   opls_235      7    GLU      C     38        0.5     12.011
+   116   opls_236      7    GLU      O     38       -0.5    15.9994   ; qtot 2
+; residue   8 LEU rtp LEU  q  0.0
+   117   opls_238      8    LEU      N     39       -0.5    14.0067
+   118   opls_241      8    LEU      H     39        0.3      1.008
+   119  opls_224B      8    LEU     CA     39       0.14     12.011
+   120   opls_140      8    LEU     HA     39       0.06      1.008
+   121   opls_136      8    LEU     CB     40      -0.12     12.011
+   122   opls_140      8    LEU    HB1     40       0.06      1.008
+   123   opls_140      8    LEU    HB2     40       0.06      1.008
+   124   opls_137      8    LEU     CG     41      -0.06     12.011
+   125   opls_140      8    LEU     HG     41       0.06      1.008
+   126   opls_135      8    LEU    CD1     42      -0.18     12.011
+   127   opls_140      8    LEU   HD11     42       0.06      1.008
+   128   opls_140      8    LEU   HD12     42       0.06      1.008
+   129   opls_140      8    LEU   HD13     42       0.06      1.008
+   130   opls_135      8    LEU    CD2     43      -0.18     12.011
+   131   opls_140      8    LEU   HD21     43       0.06      1.008
+   132   opls_140      8    LEU   HD22     43       0.06      1.008
+   133   opls_140      8    LEU   HD23     43       0.06      1.008
+   134   opls_235      8    LEU      C     44        0.5     12.011
+   135   opls_236      8    LEU      O     44       -0.5    15.9994   ; qtot 2
+; residue   9 ALA rtp ALA  q  0.0
+   136   opls_238      9    ALA      N     45       -0.5    14.0067
+   137   opls_241      9    ALA      H     45        0.3      1.008
+   138  opls_224B      9    ALA     CA     45       0.14     12.011
+   139   opls_140      9    ALA     HA     45       0.06      1.008
+   140   opls_135      9    ALA     CB     46      -0.18     12.011
+   141   opls_140      9    ALA    HB1     46       0.06      1.008
+   142   opls_140      9    ALA    HB2     46       0.06      1.008
+   143   opls_140      9    ALA    HB3     46       0.06      1.008
+   144   opls_235      9    ALA      C     47        0.5     12.011
+   145   opls_236      9    ALA      O     47       -0.5    15.9994   ; qtot 2
+; residue  10 ALA rtp ALA  q  0.0
+   146   opls_238     10    ALA      N     48       -0.5    14.0067
+   147   opls_241     10    ALA      H     48        0.3      1.008
+   148  opls_224B     10    ALA     CA     48       0.14     12.011
+   149   opls_140     10    ALA     HA     48       0.06      1.008
+   150   opls_135     10    ALA     CB     49      -0.18     12.011
+   151   opls_140     10    ALA    HB1     49       0.06      1.008
+   152   opls_140     10    ALA    HB2     49       0.06      1.008
+   153   opls_140     10    ALA    HB3     49       0.06      1.008
+   154   opls_235     10    ALA      C     50        0.5     12.011
+   155   opls_236     10    ALA      O     50       -0.5    15.9994   ; qtot 2
+; residue  11 ALA rtp ALA  q  0.0
+   156   opls_238     11    ALA      N     51       -0.5    14.0067
+   157   opls_241     11    ALA      H     51        0.3      1.008
+   158  opls_224B     11    ALA     CA     51       0.14     12.011
+   159   opls_140     11    ALA     HA     51       0.06      1.008
+   160   opls_135     11    ALA     CB     52      -0.18     12.011
+   161   opls_140     11    ALA    HB1     52       0.06      1.008
+   162   opls_140     11    ALA    HB2     52       0.06      1.008
+   163   opls_140     11    ALA    HB3     52       0.06      1.008
+   164   opls_235     11    ALA      C     53        0.5     12.011
+   165   opls_236     11    ALA      O     53       -0.5    15.9994   ; qtot 2
+; residue  12 MET rtp MET  q  0.0
+   166   opls_238     12    MET      N     54       -0.5    14.0067
+   167   opls_241     12    MET      H     54        0.3      1.008
+   168  opls_224B     12    MET     CA     54       0.14     12.011
+   169   opls_140     12    MET     HA     54       0.06      1.008
+   170   opls_136     12    MET     CB     55      -0.12     12.011
+   171   opls_140     12    MET    HB1     55       0.06      1.008
+   172   opls_140     12    MET    HB2     55       0.06      1.008
+   173   opls_210     12    MET     CG     56      0.048     12.011
+   174   opls_140     12    MET    HG1     56       0.06      1.008
+   175   opls_140     12    MET    HG2     56       0.06      1.008
+   176   opls_202     12    MET     SD     57     -0.335      32.06
+   177   opls_209     12    MET     CE     58     -0.013     12.011
+   178   opls_140     12    MET    HE1     58       0.06      1.008
+   179   opls_140     12    MET    HE2     58       0.06      1.008
+   180   opls_140     12    MET    HE3     58       0.06      1.008
+   181   opls_235     12    MET      C     59        0.5     12.011
+   182   opls_236     12    MET      O     59       -0.5    15.9994   ; qtot 2
+; residue  13 LYS rtp LYSH q +1.0
+   183   opls_238     13    LYS      N     60       -0.5    14.0067
+   184   opls_241     13    LYS      H     60        0.3      1.008
+   185  opls_224B     13    LYS     CA     60       0.14     12.011
+   186   opls_140     13    LYS     HA     60       0.06      1.008
+   187   opls_136     13    LYS     CB     61      -0.12     12.011
+   188   opls_140     13    LYS    HB1     61       0.06      1.008
+   189   opls_140     13    LYS    HB2     61       0.06      1.008
+   190   opls_136     13    LYS     CG     62      -0.12     12.011
+   191   opls_140     13    LYS    HG1     62       0.06      1.008
+   192   opls_140     13    LYS    HG2     62       0.06      1.008
+   193   opls_136     13    LYS     CD     63      -0.12     12.011
+   194   opls_140     13    LYS    HD1     63       0.06      1.008
+   195   opls_140     13    LYS    HD2     63       0.06      1.008
+   196   opls_292     13    LYS     CE     64       0.19     12.011
+   197   opls_140     13    LYS    HE1     64       0.06      1.008
+   198   opls_140     13    LYS    HE2     64       0.06      1.008
+   199   opls_287     13    LYS     NZ     65       -0.3    14.0067
+   200   opls_290     13    LYS    HZ1     65       0.33      1.008
+   201   opls_290     13    LYS    HZ2     65       0.33      1.008
+   202   opls_290     13    LYS    HZ3     65       0.33      1.008
+   203   opls_235     13    LYS      C     66        0.5     12.011
+   204   opls_236     13    LYS      O     66       -0.5    15.9994   ; qtot 3
+; residue  14 ARG rtp ARG  q +1.0
+   205   opls_238     14    ARG      N     67       -0.5    14.0067
+   206   opls_241     14    ARG      H     67        0.3      1.008
+   207  opls_224B     14    ARG     CA     67       0.14     12.011
+   208   opls_140     14    ARG     HA     67       0.06      1.008
+   209   opls_136     14    ARG     CB     68      -0.12     12.011
+   210   opls_140     14    ARG    HB1     68       0.06      1.008
+   211   opls_140     14    ARG    HB2     68       0.06      1.008
+   212   opls_308     14    ARG     CG     69      -0.05     12.011
+   213   opls_140     14    ARG    HG1     69       0.06      1.008
+   214   opls_140     14    ARG    HG2     69       0.06      1.008
+   215   opls_307     14    ARG     CD     70       0.19     12.011
+   216   opls_140     14    ARG    HD1     70       0.06      1.008
+   217   opls_140     14    ARG    HD2     70       0.06      1.008
+   218   opls_303     14    ARG     NE     71       -0.7    14.0067
+   219   opls_304     14    ARG     HE     71       0.44      1.008
+   220   opls_302     14    ARG     CZ     71       0.64     12.011
+   221   opls_300     14    ARG    NH1     72       -0.8    14.0067
+   222   opls_301     14    ARG   HH11     72       0.46      1.008
+   223   opls_301     14    ARG   HH12     72       0.46      1.008
+   224   opls_300     14    ARG    NH2     73       -0.8    14.0067
+   225   opls_301     14    ARG   HH21     73       0.46      1.008
+   226   opls_301     14    ARG   HH22     73       0.46      1.008
+   227   opls_235     14    ARG      C     74        0.5     12.011
+   228   opls_236     14    ARG      O     74       -0.5    15.9994   ; qtot 4
+; residue  15 HIS rtp HISE q  0.0
+   229   opls_238     15    HIS      N     75       -0.5    14.0067
+   230   opls_241     15    HIS      H     75        0.3      1.008
+   231  opls_224B     15    HIS     CA     75       0.14     12.011
+   232   opls_140     15    HIS     HA     75       0.06      1.008
+   233   opls_505     15    HIS     CB     76     -0.005     12.011
+   234   opls_140     15    HIS    HB1     76       0.06      1.008
+   235   opls_140     15    HIS    HB2     76       0.06      1.008
+   236   opls_507     15    HIS     CG     77     -0.015     12.011
+   237   opls_511     15    HIS    ND1     77      -0.49    14.0067
+   238   opls_508     15    HIS    CD2     78      0.015     12.011
+   239   opls_146     15    HIS    HD2     78      0.115      1.008
+   240   opls_506     15    HIS    CE1     79      0.295     12.011
+   241   opls_146     15    HIS    HE1     79      0.115      1.008
+   242   opls_503     15    HIS    NE2     80      -0.57    14.0067
+   243   opls_504     15    HIS    HE2     80       0.42      1.008
+   244   opls_235     15    HIS      C     81        0.5     12.011
+   245   opls_236     15    HIS      O     81       -0.5    15.9994   ; qtot 4
+; residue  16 GLY rtp GLY  q  0.0
+   246   opls_238     16    GLY      N     82       -0.5    14.0067
+   247   opls_241     16    GLY      H     82        0.3      1.008
+   248  opls_223B     16    GLY     CA     82       0.08     12.011
+   249   opls_140     16    GLY    HA1     82       0.06      1.008
+   250   opls_140     16    GLY    HA2     82       0.06      1.008
+   251   opls_235     16    GLY      C     83        0.5     12.011
+   252   opls_236     16    GLY      O     83       -0.5    15.9994   ; qtot 4
+; residue  17 LEU rtp LEU  q  0.0
+   253   opls_238     17    LEU      N     84       -0.5    14.0067
+   254   opls_241     17    LEU      H     84        0.3      1.008
+   255  opls_224B     17    LEU     CA     84       0.14     12.011
+   256   opls_140     17    LEU     HA     84       0.06      1.008
+   257   opls_136     17    LEU     CB     85      -0.12     12.011
+   258   opls_140     17    LEU    HB1     85       0.06      1.008
+   259   opls_140     17    LEU    HB2     85       0.06      1.008
+   260   opls_137     17    LEU     CG     86      -0.06     12.011
+   261   opls_140     17    LEU     HG     86       0.06      1.008
+   262   opls_135     17    LEU    CD1     87      -0.18     12.011
+   263   opls_140     17    LEU   HD11     87       0.06      1.008
+   264   opls_140     17    LEU   HD12     87       0.06      1.008
+   265   opls_140     17    LEU   HD13     87       0.06      1.008
+   266   opls_135     17    LEU    CD2     88      -0.18     12.011
+   267   opls_140     17    LEU   HD21     88       0.06      1.008
+   268   opls_140     17    LEU   HD22     88       0.06      1.008
+   269   opls_140     17    LEU   HD23     88       0.06      1.008
+   270   opls_235     17    LEU      C     89        0.5     12.011
+   271   opls_236     17    LEU      O     89       -0.5    15.9994   ; qtot 4
+; residue  18 ASP rtp ASP  q -1.0
+   272   opls_238     18    ASP      N     90       -0.5    14.0067
+   273   opls_241     18    ASP      H     90        0.3      1.008
+   274  opls_224B     18    ASP     CA     90       0.14     12.011
+   275   opls_140     18    ASP     HA     90       0.06      1.008
+   276   opls_274     18    ASP     CB     91      -0.22     12.011
+   277   opls_140     18    ASP    HB1     91       0.06      1.008
+   278   opls_140     18    ASP    HB2     91       0.06      1.008
+   279   opls_271     18    ASP     CG     92        0.7     12.011
+   280   opls_272     18    ASP    OD1     92       -0.8    15.9994
+   281   opls_272     18    ASP    OD2     92       -0.8    15.9994
+   282   opls_235     18    ASP      C     93        0.5     12.011
+   283   opls_236     18    ASP      O     93       -0.5    15.9994   ; qtot 3
+; residue  19 ASN rtp ASN  q  0.0
+   284   opls_238     19    ASN      N     94       -0.5    14.0067
+   285   opls_241     19    ASN      H     94        0.3      1.008
+   286  opls_224B     19    ASN     CA     95       0.14     12.011
+   287   opls_140     19    ASN     HA     95       0.06      1.008
+   288   opls_136     19    ASN     CB     96      -0.12     12.011
+   289   opls_140     19    ASN    HB1     96       0.06      1.008
+   290   opls_140     19    ASN    HB2     96       0.06      1.008
+   291   opls_235     19    ASN     CG     97        0.5     12.011
+   292   opls_236     19    ASN    OD1     97       -0.5    15.9994
+   293   opls_237     19    ASN    ND2     98      -0.76    14.0067
+   294   opls_240     19    ASN   HD21     98       0.38      1.008
+   295   opls_240     19    ASN   HD22     98       0.38      1.008
+   296   opls_235     19    ASN      C     99        0.5     12.011
+   297   opls_236     19    ASN      O     99       -0.5    15.9994   ; qtot 3
+; residue  20 TYR rtp TYR  q  0.0
+   298   opls_238     20    TYR      N    100       -0.5    14.0067
+   299   opls_241     20    TYR      H    100        0.3      1.008
+   300  opls_224B     20    TYR     CA    100       0.14     12.011
+   301   opls_140     20    TYR     HA    100       0.06      1.008
+   302   opls_149     20    TYR     CB    101     -0.005     12.011
+   303   opls_140     20    TYR    HB1    101       0.06      1.008
+   304   opls_140     20    TYR    HB2    101       0.06      1.008
+   305   opls_145     20    TYR     CG    101     -0.115     12.011
+   306   opls_145     20    TYR    CD1    102     -0.115     12.011
+   307   opls_146     20    TYR    HD1    102      0.115      1.008
+   308   opls_145     20    TYR    CD2    103     -0.115     12.011
+   309   opls_146     20    TYR    HD2    103      0.115      1.008
+   310   opls_145     20    TYR    CE1    104     -0.115     12.011
+   311   opls_146     20    TYR    HE1    104      0.115      1.008
+   312   opls_145     20    TYR    CE2    105     -0.115     12.011
+   313   opls_146     20    TYR    HE2    105      0.115      1.008
+   314   opls_166     20    TYR     CZ    106       0.15     12.011
+   315   opls_167     20    TYR     OH    106     -0.585    15.9994
+   316   opls_168     20    TYR     HH    106      0.435      1.008
+   317   opls_235     20    TYR      C    107        0.5     12.011
+   318   opls_236     20    TYR      O    107       -0.5    15.9994   ; qtot 3
+; residue  21 ARG rtp ARG  q +1.0
+   319   opls_238     21    ARG      N    108       -0.5    14.0067
+   320   opls_241     21    ARG      H    108        0.3      1.008
+   321  opls_224B     21    ARG     CA    108       0.14     12.011
+   322   opls_140     21    ARG     HA    108       0.06      1.008
+   323   opls_136     21    ARG     CB    109      -0.12     12.011
+   324   opls_140     21    ARG    HB1    109       0.06      1.008
+   325   opls_140     21    ARG    HB2    109       0.06      1.008
+   326   opls_308     21    ARG     CG    110      -0.05     12.011
+   327   opls_140     21    ARG    HG1    110       0.06      1.008
+   328   opls_140     21    ARG    HG2    110       0.06      1.008
+   329   opls_307     21    ARG     CD    111       0.19     12.011
+   330   opls_140     21    ARG    HD1    111       0.06      1.008
+   331   opls_140     21    ARG    HD2    111       0.06      1.008
+   332   opls_303     21    ARG     NE    112       -0.7    14.0067
+   333   opls_304     21    ARG     HE    112       0.44      1.008
+   334   opls_302     21    ARG     CZ    112       0.64     12.011
+   335   opls_300     21    ARG    NH1    113       -0.8    14.0067
+   336   opls_301     21    ARG   HH11    113       0.46      1.008
+   337   opls_301     21    ARG   HH12    113       0.46      1.008
+   338   opls_300     21    ARG    NH2    114       -0.8    14.0067
+   339   opls_301     21    ARG   HH21    114       0.46      1.008
+   340   opls_301     21    ARG   HH22    114       0.46      1.008
+   341   opls_235     21    ARG      C    115        0.5     12.011
+   342   opls_236     21    ARG      O    115       -0.5    15.9994   ; qtot 4
+; residue  22 GLY rtp GLY  q  0.0
+   343   opls_238     22    GLY      N    116       -0.5    14.0067
+   344   opls_241     22    GLY      H    116        0.3      1.008
+   345  opls_223B     22    GLY     CA    116       0.08     12.011
+   346   opls_140     22    GLY    HA1    116       0.06      1.008
+   347   opls_140     22    GLY    HA2    116       0.06      1.008
+   348   opls_235     22    GLY      C    117        0.5     12.011
+   349   opls_236     22    GLY      O    117       -0.5    15.9994   ; qtot 4
+; residue  23 TYR rtp TYR  q  0.0
+   350   opls_238     23    TYR      N    118       -0.5    14.0067
+   351   opls_241     23    TYR      H    118        0.3      1.008
+   352  opls_224B     23    TYR     CA    118       0.14     12.011
+   353   opls_140     23    TYR     HA    118       0.06      1.008
+   354   opls_149     23    TYR     CB    119     -0.005     12.011
+   355   opls_140     23    TYR    HB1    119       0.06      1.008
+   356   opls_140     23    TYR    HB2    119       0.06      1.008
+   357   opls_145     23    TYR     CG    119     -0.115     12.011
+   358   opls_145     23    TYR    CD1    120     -0.115     12.011
+   359   opls_146     23    TYR    HD1    120      0.115      1.008
+   360   opls_145     23    TYR    CD2    121     -0.115     12.011
+   361   opls_146     23    TYR    HD2    121      0.115      1.008
+   362   opls_145     23    TYR    CE1    122     -0.115     12.011
+   363   opls_146     23    TYR    HE1    122      0.115      1.008
+   364   opls_145     23    TYR    CE2    123     -0.115     12.011
+   365   opls_146     23    TYR    HE2    123      0.115      1.008
+   366   opls_166     23    TYR     CZ    124       0.15     12.011
+   367   opls_167     23    TYR     OH    124     -0.585    15.9994
+   368   opls_168     23    TYR     HH    124      0.435      1.008
+   369   opls_235     23    TYR      C    125        0.5     12.011
+   370   opls_236     23    TYR      O    125       -0.5    15.9994   ; qtot 4
+; residue  24 SER rtp SER  q  0.0
+   371   opls_238     24    SER      N    126       -0.5    14.0067
+   372   opls_241     24    SER      H    126        0.3      1.008
+   373  opls_224B     24    SER     CA    126       0.14     12.011
+   374   opls_140     24    SER     HA    126       0.06      1.008
+   375   opls_157     24    SER     CB    127      0.145     12.011
+   376   opls_140     24    SER    HB1    127       0.06      1.008
+   377   opls_140     24    SER    HB2    127       0.06      1.008
+   378   opls_154     24    SER     OG    128     -0.683    15.9994
+   379   opls_155     24    SER     HG    128      0.418      1.008
+   380   opls_235     24    SER      C    129        0.5     12.011
+   381   opls_236     24    SER      O    129       -0.5    15.9994   ; qtot 4
+; residue  25 LEU rtp LEU  q  0.0
+   382   opls_238     25    LEU      N    130       -0.5    14.0067
+   383   opls_241     25    LEU      H    130        0.3      1.008
+   384  opls_224B     25    LEU     CA    130       0.14     12.011
+   385   opls_140     25    LEU     HA    130       0.06      1.008
+   386   opls_136     25    LEU     CB    131      -0.12     12.011
+   387   opls_140     25    LEU    HB1    131       0.06      1.008
+   388   opls_140     25    LEU    HB2    131       0.06      1.008
+   389   opls_137     25    LEU     CG    132      -0.06     12.011
+   390   opls_140     25    LEU     HG    132       0.06      1.008
+   391   opls_135     25    LEU    CD1    133      -0.18     12.011
+   392   opls_140     25    LEU   HD11    133       0.06      1.008
+   393   opls_140     25    LEU   HD12    133       0.06      1.008
+   394   opls_140     25    LEU   HD13    133       0.06      1.008
+   395   opls_135     25    LEU    CD2    134      -0.18     12.011
+   396   opls_140     25    LEU   HD21    134       0.06      1.008
+   397   opls_140     25    LEU   HD22    134       0.06      1.008
+   398   opls_140     25    LEU   HD23    134       0.06      1.008
+   399   opls_235     25    LEU      C    135        0.5     12.011
+   400   opls_236     25    LEU      O    135       -0.5    15.9994   ; qtot 4
+; residue  26 GLY rtp GLY  q  0.0
+   401   opls_238     26    GLY      N    136       -0.5    14.0067
+   402   opls_241     26    GLY      H    136        0.3      1.008
+   403  opls_223B     26    GLY     CA    136       0.08     12.011
+   404   opls_140     26    GLY    HA1    136       0.06      1.008
+   405   opls_140     26    GLY    HA2    136       0.06      1.008
+   406   opls_235     26    GLY      C    137        0.5     12.011
+   407   opls_236     26    GLY      O    137       -0.5    15.9994   ; qtot 4
+; residue  27 ASN rtp ASN  q  0.0
+   408   opls_238     27    ASN      N    138       -0.5    14.0067
+   409   opls_241     27    ASN      H    138        0.3      1.008
+   410  opls_224B     27    ASN     CA    139       0.14     12.011
+   411   opls_140     27    ASN     HA    139       0.06      1.008
+   412   opls_136     27    ASN     CB    140      -0.12     12.011
+   413   opls_140     27    ASN    HB1    140       0.06      1.008
+   414   opls_140     27    ASN    HB2    140       0.06      1.008
+   415   opls_235     27    ASN     CG    141        0.5     12.011
+   416   opls_236     27    ASN    OD1    141       -0.5    15.9994
+   417   opls_237     27    ASN    ND2    142      -0.76    14.0067
+   418   opls_240     27    ASN   HD21    142       0.38      1.008
+   419   opls_240     27    ASN   HD22    142       0.38      1.008
+   420   opls_235     27    ASN      C    143        0.5     12.011
+   421   opls_236     27    ASN      O    143       -0.5    15.9994   ; qtot 4
+; residue  28 TRP rtp TRP  q  0.0
+   422   opls_238     28    TRP      N    144       -0.5    14.0067
+   423   opls_241     28    TRP      H    144        0.3      1.008
+   424  opls_224B     28    TRP     CA    144       0.14     12.011
+   425   opls_140     28    TRP     HA    144       0.06      1.008
+   426   opls_136     28    TRP     CB    145      -0.12     12.011
+   427   opls_140     28    TRP    HB1    145       0.06      1.008
+   428   opls_140     28    TRP    HB2    145       0.06      1.008
+   429   opls_500     28    TRP     CG    146      0.075     12.011
+   430   opls_514     28    TRP    CD1    147     -0.115     12.011
+   431   opls_146     28    TRP    HD1    147      0.115      1.008
+   432   opls_501     28    TRP    CD2    148     -0.055     12.011
+   433   opls_503     28    TRP    NE1    149      -0.57    14.0067
+   434   opls_504     28    TRP    HE1    149       0.42      1.008
+   435   opls_502     28    TRP    CE2    149       0.13     12.011
+   436   opls_145     28    TRP    CE3    150     -0.115     12.011
+   437   opls_146     28    TRP    HE3    150      0.115      1.008
+   438   opls_145     28    TRP    CZ2    151     -0.115     12.011
+   439   opls_146     28    TRP    HZ2    151      0.115      1.008
+   440   opls_145     28    TRP    CZ3    152     -0.115     12.011
+   441   opls_146     28    TRP    HZ3    152      0.115      1.008
+   442   opls_145     28    TRP    CH2    153     -0.115     12.011
+   443   opls_146     28    TRP    HH2    153      0.115      1.008
+   444   opls_235     28    TRP      C    154        0.5     12.011
+   445   opls_236     28    TRP      O    154       -0.5    15.9994   ; qtot 4
+; residue  29 VAL rtp VAL  q  0.0
+   446   opls_238     29    VAL      N    155       -0.5    14.0067
+   447   opls_241     29    VAL      H    155        0.3      1.008
+   448  opls_224B     29    VAL     CA    155       0.14     12.011
+   449   opls_140     29    VAL     HA    155       0.06      1.008
+   450   opls_137     29    VAL     CB    156      -0.06     12.011
+   451   opls_140     29    VAL     HB    156       0.06      1.008
+   452   opls_135     29    VAL    CG1    157      -0.18     12.011
+   453   opls_140     29    VAL   HG11    157       0.06      1.008
+   454   opls_140     29    VAL   HG12    157       0.06      1.008
+   455   opls_140     29    VAL   HG13    157       0.06      1.008
+   456   opls_135     29    VAL    CG2    158      -0.18     12.011
+   457   opls_140     29    VAL   HG21    158       0.06      1.008
+   458   opls_140     29    VAL   HG22    158       0.06      1.008
+   459   opls_140     29    VAL   HG23    158       0.06      1.008
+   460   opls_235     29    VAL      C    159        0.5     12.011
+   461   opls_236     29    VAL      O    159       -0.5    15.9994   ; qtot 4
+; residue  30 CYS rtp CYS2 q  0.0
+   462   opls_238     30    CYS      N    160       -0.5    14.0067
+   463   opls_241     30    CYS      H    160        0.3      1.008
+   464  opls_224B     30    CYS     CA    160       0.14     12.011
+   465   opls_140     30    CYS     HA    160       0.06      1.008
+   466   opls_214     30    CYS     CB    161     0.0975     12.011
+   467   opls_140     30    CYS    HB1    161       0.06      1.008
+   468   opls_140     30    CYS    HB2    161       0.06      1.008
+   469   opls_203     30    CYS     SG    161    -0.2175      32.06
+   470   opls_235     30    CYS      C    162        0.5     12.011
+   471   opls_236     30    CYS      O    162       -0.5    15.9994   ; qtot 4
+; residue  31 ALA rtp ALA  q  0.0
+   472   opls_238     31    ALA      N    163       -0.5    14.0067
+   473   opls_241     31    ALA      H    163        0.3      1.008
+   474  opls_224B     31    ALA     CA    163       0.14     12.011
+   475   opls_140     31    ALA     HA    163       0.06      1.008
+   476   opls_135     31    ALA     CB    164      -0.18     12.011
+   477   opls_140     31    ALA    HB1    164       0.06      1.008
+   478   opls_140     31    ALA    HB2    164       0.06      1.008
+   479   opls_140     31    ALA    HB3    164       0.06      1.008
+   480   opls_235     31    ALA      C    165        0.5     12.011
+   481   opls_236     31    ALA      O    165       -0.5    15.9994   ; qtot 4
+; residue  32 ALA rtp ALA  q  0.0
+   482   opls_238     32    ALA      N    166       -0.5    14.0067
+   483   opls_241     32    ALA      H    166        0.3      1.008
+   484  opls_224B     32    ALA     CA    166       0.14     12.011
+   485   opls_140     32    ALA     HA    166       0.06      1.008
+   486   opls_135     32    ALA     CB    167      -0.18     12.011
+   487   opls_140     32    ALA    HB1    167       0.06      1.008
+   488   opls_140     32    ALA    HB2    167       0.06      1.008
+   489   opls_140     32    ALA    HB3    167       0.06      1.008
+   490   opls_235     32    ALA      C    168        0.5     12.011
+   491   opls_236     32    ALA      O    168       -0.5    15.9994   ; qtot 4
+; residue  33 LYS rtp LYSH q +1.0
+   492   opls_238     33    LYS      N    169       -0.5    14.0067
+   493   opls_241     33    LYS      H    169        0.3      1.008
+   494  opls_224B     33    LYS     CA    169       0.14     12.011
+   495   opls_140     33    LYS     HA    169       0.06      1.008
+   496   opls_136     33    LYS     CB    170      -0.12     12.011
+   497   opls_140     33    LYS    HB1    170       0.06      1.008
+   498   opls_140     33    LYS    HB2    170       0.06      1.008
+   499   opls_136     33    LYS     CG    171      -0.12     12.011
+   500   opls_140     33    LYS    HG1    171       0.06      1.008
+   501   opls_140     33    LYS    HG2    171       0.06      1.008
+   502   opls_136     33    LYS     CD    172      -0.12     12.011
+   503   opls_140     33    LYS    HD1    172       0.06      1.008
+   504   opls_140     33    LYS    HD2    172       0.06      1.008
+   505   opls_292     33    LYS     CE    173       0.19     12.011
+   506   opls_140     33    LYS    HE1    173       0.06      1.008
+   507   opls_140     33    LYS    HE2    173       0.06      1.008
+   508   opls_287     33    LYS     NZ    174       -0.3    14.0067
+   509   opls_290     33    LYS    HZ1    174       0.33      1.008
+   510   opls_290     33    LYS    HZ2    174       0.33      1.008
+   511   opls_290     33    LYS    HZ3    174       0.33      1.008
+   512   opls_235     33    LYS      C    175        0.5     12.011
+   513   opls_236     33    LYS      O    175       -0.5    15.9994   ; qtot 5
+; residue  34 PHE rtp PHE  q  0.0
+   514   opls_238     34    PHE      N    176       -0.5    14.0067
+   515   opls_241     34    PHE      H    176        0.3      1.008
+   516  opls_224B     34    PHE     CA    176       0.14     12.011
+   517   opls_140     34    PHE     HA    176       0.06      1.008
+   518   opls_149     34    PHE     CB    177     -0.005     12.011
+   519   opls_140     34    PHE    HB1    177       0.06      1.008
+   520   opls_140     34    PHE    HB2    177       0.06      1.008
+   521   opls_145     34    PHE     CG    177     -0.115     12.011
+   522   opls_145     34    PHE    CD1    178     -0.115     12.011
+   523   opls_146     34    PHE    HD1    178      0.115      1.008
+   524   opls_145     34    PHE    CD2    179     -0.115     12.011
+   525   opls_146     34    PHE    HD2    179      0.115      1.008
+   526   opls_145     34    PHE    CE1    180     -0.115     12.011
+   527   opls_146     34    PHE    HE1    180      0.115      1.008
+   528   opls_145     34    PHE    CE2    181     -0.115     12.011
+   529   opls_146     34    PHE    HE2    181      0.115      1.008
+   530   opls_145     34    PHE     CZ    182     -0.115     12.011
+   531   opls_146     34    PHE     HZ    182      0.115      1.008
+   532   opls_235     34    PHE      C    183        0.5     12.011
+   533   opls_236     34    PHE      O    183       -0.5    15.9994   ; qtot 5
+; residue  35 GLU rtp GLU  q -1.0
+   534   opls_238     35    GLU      N    184       -0.5    14.0067
+   535   opls_241     35    GLU      H    184        0.3      1.008
+   536  opls_224B     35    GLU     CA    184       0.14     12.011
+   537   opls_140     35    GLU     HA    184       0.06      1.008
+   538   opls_136     35    GLU     CB    185      -0.12     12.011
+   539   opls_140     35    GLU    HB1    185       0.06      1.008
+   540   opls_140     35    GLU    HB2    185       0.06      1.008
+   541   opls_274     35    GLU     CG    186      -0.22     12.011
+   542   opls_140     35    GLU    HG1    186       0.06      1.008
+   543   opls_140     35    GLU    HG2    186       0.06      1.008
+   544   opls_271     35    GLU     CD    187        0.7     12.011
+   545   opls_272     35    GLU    OE1    187       -0.8    15.9994
+   546   opls_272     35    GLU    OE2    187       -0.8    15.9994
+   547   opls_235     35    GLU      C    188        0.5     12.011
+   548   opls_236     35    GLU      O    188       -0.5    15.9994   ; qtot 4
+; residue  36 SER rtp SER  q  0.0
+   549   opls_238     36    SER      N    189       -0.5    14.0067
+   550   opls_241     36    SER      H    189        0.3      1.008
+   551  opls_224B     36    SER     CA    189       0.14     12.011
+   552   opls_140     36    SER     HA    189       0.06      1.008
+   553   opls_157     36    SER     CB    190      0.145     12.011
+   554   opls_140     36    SER    HB1    190       0.06      1.008
+   555   opls_140     36    SER    HB2    190       0.06      1.008
+   556   opls_154     36    SER     OG    191     -0.683    15.9994
+   557   opls_155     36    SER     HG    191      0.418      1.008
+   558   opls_235     36    SER      C    192        0.5     12.011
+   559   opls_236     36    SER      O    192       -0.5    15.9994   ; qtot 4
+; residue  37 ASN rtp ASN  q  0.0
+   560   opls_238     37    ASN      N    193       -0.5    14.0067
+   561   opls_241     37    ASN      H    193        0.3      1.008
+   562  opls_224B     37    ASN     CA    194       0.14     12.011
+   563   opls_140     37    ASN     HA    194       0.06      1.008
+   564   opls_136     37    ASN     CB    195      -0.12     12.011
+   565   opls_140     37    ASN    HB1    195       0.06      1.008
+   566   opls_140     37    ASN    HB2    195       0.06      1.008
+   567   opls_235     37    ASN     CG    196        0.5     12.011
+   568   opls_236     37    ASN    OD1    196       -0.5    15.9994
+   569   opls_237     37    ASN    ND2    197      -0.76    14.0067
+   570   opls_240     37    ASN   HD21    197       0.38      1.008
+   571   opls_240     37    ASN   HD22    197       0.38      1.008
+   572   opls_235     37    ASN      C    198        0.5     12.011
+   573   opls_236     37    ASN      O    198       -0.5    15.9994   ; qtot 4
+; residue  38 PHE rtp PHE  q  0.0
+   574   opls_238     38    PHE      N    199       -0.5    14.0067
+   575   opls_241     38    PHE      H    199        0.3      1.008
+   576  opls_224B     38    PHE     CA    199       0.14     12.011
+   577   opls_140     38    PHE     HA    199       0.06      1.008
+   578   opls_149     38    PHE     CB    200     -0.005     12.011
+   579   opls_140     38    PHE    HB1    200       0.06      1.008
+   580   opls_140     38    PHE    HB2    200       0.06      1.008
+   581   opls_145     38    PHE     CG    200     -0.115     12.011
+   582   opls_145     38    PHE    CD1    201     -0.115     12.011
+   583   opls_146     38    PHE    HD1    201      0.115      1.008
+   584   opls_145     38    PHE    CD2    202     -0.115     12.011
+   585   opls_146     38    PHE    HD2    202      0.115      1.008
+   586   opls_145     38    PHE    CE1    203     -0.115     12.011
+   587   opls_146     38    PHE    HE1    203      0.115      1.008
+   588   opls_145     38    PHE    CE2    204     -0.115     12.011
+   589   opls_146     38    PHE    HE2    204      0.115      1.008
+   590   opls_145     38    PHE     CZ    205     -0.115     12.011
+   591   opls_146     38    PHE     HZ    205      0.115      1.008
+   592   opls_235     38    PHE      C    206        0.5     12.011
+   593   opls_236     38    PHE      O    206       -0.5    15.9994   ; qtot 4
+; residue  39 ASN rtp ASN  q  0.0
+   594   opls_238     39    ASN      N    207       -0.5    14.0067
+   595   opls_241     39    ASN      H    207        0.3      1.008
+   596  opls_224B     39    ASN     CA    208       0.14     12.011
+   597   opls_140     39    ASN     HA    208       0.06      1.008
+   598   opls_136     39    ASN     CB    209      -0.12     12.011
+   599   opls_140     39    ASN    HB1    209       0.06      1.008
+   600   opls_140     39    ASN    HB2    209       0.06      1.008
+   601   opls_235     39    ASN     CG    210        0.5     12.011
+   602   opls_236     39    ASN    OD1    210       -0.5    15.9994
+   603   opls_237     39    ASN    ND2    211      -0.76    14.0067
+   604   opls_240     39    ASN   HD21    211       0.38      1.008
+   605   opls_240     39    ASN   HD22    211       0.38      1.008
+   606   opls_235     39    ASN      C    212        0.5     12.011
+   607   opls_236     39    ASN      O    212       -0.5    15.9994   ; qtot 4
+; residue  40 THR rtp THR  q  0.0
+   608   opls_238     40    THR      N    213       -0.5    14.0067
+   609   opls_241     40    THR      H    213        0.3      1.008
+   610  opls_224B     40    THR     CA    213       0.14     12.011
+   611   opls_140     40    THR     HA    213       0.06      1.008
+   612   opls_158     40    THR     CB    214      0.205     12.011
+   613   opls_140     40    THR     HB    214       0.06      1.008
+   614   opls_154     40    THR    OG1    214     -0.683    15.9994
+   615   opls_155     40    THR    HG1    214      0.418      1.008
+   616   opls_135     40    THR    CG2    215      -0.18     12.011
+   617   opls_140     40    THR   HG21    215       0.06      1.008
+   618   opls_140     40    THR   HG22    215       0.06      1.008
+   619   opls_140     40    THR   HG23    215       0.06      1.008
+   620   opls_235     40    THR      C    216        0.5     12.011
+   621   opls_236     40    THR      O    216       -0.5    15.9994   ; qtot 4
+; residue  41 GLN rtp GLN  q  0.0
+   622   opls_238     41    GLN      N    217       -0.5    14.0067
+   623   opls_241     41    GLN      H    217        0.3      1.008
+   624  opls_224B     41    GLN     CA    218       0.14     12.011
+   625   opls_140     41    GLN     HA    218       0.06      1.008
+   626   opls_136     41    GLN     CB    219      -0.12     12.011
+   627   opls_140     41    GLN    HB1    219       0.06      1.008
+   628   opls_140     41    GLN    HB2    219       0.06      1.008
+   629   opls_136     41    GLN     CG    220      -0.12     12.011
+   630   opls_140     41    GLN    HG1    220       0.06      1.008
+   631   opls_140     41    GLN    HG2    220       0.06      1.008
+   632   opls_235     41    GLN     CD    221        0.5     12.011
+   633   opls_236     41    GLN    OE1    221       -0.5    15.9994
+   634   opls_237     41    GLN    NE2    222      -0.76    14.0067
+   635   opls_240     41    GLN   HE21    222       0.38      1.008
+   636   opls_240     41    GLN   HE22    222       0.38      1.008
+   637   opls_235     41    GLN      C    223        0.5     12.011
+   638   opls_236     41    GLN      O    223       -0.5    15.9994   ; qtot 4
+; residue  42 ALA rtp ALA  q  0.0
+   639   opls_238     42    ALA      N    224       -0.5    14.0067
+   640   opls_241     42    ALA      H    224        0.3      1.008
+   641  opls_224B     42    ALA     CA    224       0.14     12.011
+   642   opls_140     42    ALA     HA    224       0.06      1.008
+   643   opls_135     42    ALA     CB    225      -0.18     12.011
+   644   opls_140     42    ALA    HB1    225       0.06      1.008
+   645   opls_140     42    ALA    HB2    225       0.06      1.008
+   646   opls_140     42    ALA    HB3    225       0.06      1.008
+   647   opls_235     42    ALA      C    226        0.5     12.011
+   648   opls_236     42    ALA      O    226       -0.5    15.9994   ; qtot 4
+; residue  43 THR rtp THR  q  0.0
+   649   opls_238     43    THR      N    227       -0.5    14.0067
+   650   opls_241     43    THR      H    227        0.3      1.008
+   651  opls_224B     43    THR     CA    227       0.14     12.011
+   652   opls_140     43    THR     HA    227       0.06      1.008
+   653   opls_158     43    THR     CB    228      0.205     12.011
+   654   opls_140     43    THR     HB    228       0.06      1.008
+   655   opls_154     43    THR    OG1    228     -0.683    15.9994
+   656   opls_155     43    THR    HG1    228      0.418      1.008
+   657   opls_135     43    THR    CG2    229      -0.18     12.011
+   658   opls_140     43    THR   HG21    229       0.06      1.008
+   659   opls_140     43    THR   HG22    229       0.06      1.008
+   660   opls_140     43    THR   HG23    229       0.06      1.008
+   661   opls_235     43    THR      C    230        0.5     12.011
+   662   opls_236     43    THR      O    230       -0.5    15.9994   ; qtot 4
+; residue  44 ASN rtp ASN  q  0.0
+   663   opls_238     44    ASN      N    231       -0.5    14.0067
+   664   opls_241     44    ASN      H    231        0.3      1.008
+   665  opls_224B     44    ASN     CA    232       0.14     12.011
+   666   opls_140     44    ASN     HA    232       0.06      1.008
+   667   opls_136     44    ASN     CB    233      -0.12     12.011
+   668   opls_140     44    ASN    HB1    233       0.06      1.008
+   669   opls_140     44    ASN    HB2    233       0.06      1.008
+   670   opls_235     44    ASN     CG    234        0.5     12.011
+   671   opls_236     44    ASN    OD1    234       -0.5    15.9994
+   672   opls_237     44    ASN    ND2    235      -0.76    14.0067
+   673   opls_240     44    ASN   HD21    235       0.38      1.008
+   674   opls_240     44    ASN   HD22    235       0.38      1.008
+   675   opls_235     44    ASN      C    236        0.5     12.011
+   676   opls_236     44    ASN      O    236       -0.5    15.9994   ; qtot 4
+; residue  45 ARG rtp ARG  q +1.0
+   677   opls_238     45    ARG      N    237       -0.5    14.0067
+   678   opls_241     45    ARG      H    237        0.3      1.008
+   679  opls_224B     45    ARG     CA    237       0.14     12.011
+   680   opls_140     45    ARG     HA    237       0.06      1.008
+   681   opls_136     45    ARG     CB    238      -0.12     12.011
+   682   opls_140     45    ARG    HB1    238       0.06      1.008
+   683   opls_140     45    ARG    HB2    238       0.06      1.008
+   684   opls_308     45    ARG     CG    239      -0.05     12.011
+   685   opls_140     45    ARG    HG1    239       0.06      1.008
+   686   opls_140     45    ARG    HG2    239       0.06      1.008
+   687   opls_307     45    ARG     CD    240       0.19     12.011
+   688   opls_140     45    ARG    HD1    240       0.06      1.008
+   689   opls_140     45    ARG    HD2    240       0.06      1.008
+   690   opls_303     45    ARG     NE    241       -0.7    14.0067
+   691   opls_304     45    ARG     HE    241       0.44      1.008
+   692   opls_302     45    ARG     CZ    241       0.64     12.011
+   693   opls_300     45    ARG    NH1    242       -0.8    14.0067
+   694   opls_301     45    ARG   HH11    242       0.46      1.008
+   695   opls_301     45    ARG   HH12    242       0.46      1.008
+   696   opls_300     45    ARG    NH2    243       -0.8    14.0067
+   697   opls_301     45    ARG   HH21    243       0.46      1.008
+   698   opls_301     45    ARG   HH22    243       0.46      1.008
+   699   opls_235     45    ARG      C    244        0.5     12.011
+   700   opls_236     45    ARG      O    244       -0.5    15.9994   ; qtot 5
+; residue  46 ASN rtp ASN  q  0.0
+   701   opls_238     46    ASN      N    245       -0.5    14.0067
+   702   opls_241     46    ASN      H    245        0.3      1.008
+   703  opls_224B     46    ASN     CA    246       0.14     12.011
+   704   opls_140     46    ASN     HA    246       0.06      1.008
+   705   opls_136     46    ASN     CB    247      -0.12     12.011
+   706   opls_140     46    ASN    HB1    247       0.06      1.008
+   707   opls_140     46    ASN    HB2    247       0.06      1.008
+   708   opls_235     46    ASN     CG    248        0.5     12.011
+   709   opls_236     46    ASN    OD1    248       -0.5    15.9994
+   710   opls_237     46    ASN    ND2    249      -0.76    14.0067
+   711   opls_240     46    ASN   HD21    249       0.38      1.008
+   712   opls_240     46    ASN   HD22    249       0.38      1.008
+   713   opls_235     46    ASN      C    250        0.5     12.011
+   714   opls_236     46    ASN      O    250       -0.5    15.9994   ; qtot 5
+; residue  47 THR rtp THR  q  0.0
+   715   opls_238     47    THR      N    251       -0.5    14.0067
+   716   opls_241     47    THR      H    251        0.3      1.008
+   717  opls_224B     47    THR     CA    251       0.14     12.011
+   718   opls_140     47    THR     HA    251       0.06      1.008
+   719   opls_158     47    THR     CB    252      0.205     12.011
+   720   opls_140     47    THR     HB    252       0.06      1.008
+   721   opls_154     47    THR    OG1    252     -0.683    15.9994
+   722   opls_155     47    THR    HG1    252      0.418      1.008
+   723   opls_135     47    THR    CG2    253      -0.18     12.011
+   724   opls_140     47    THR   HG21    253       0.06      1.008
+   725   opls_140     47    THR   HG22    253       0.06      1.008
+   726   opls_140     47    THR   HG23    253       0.06      1.008
+   727   opls_235     47    THR      C    254        0.5     12.011
+   728   opls_236     47    THR      O    254       -0.5    15.9994   ; qtot 5
+; residue  48 ASP rtp ASP  q -1.0
+   729   opls_238     48    ASP      N    255       -0.5    14.0067
+   730   opls_241     48    ASP      H    255        0.3      1.008
+   731  opls_224B     48    ASP     CA    255       0.14     12.011
+   732   opls_140     48    ASP     HA    255       0.06      1.008
+   733   opls_274     48    ASP     CB    256      -0.22     12.011
+   734   opls_140     48    ASP    HB1    256       0.06      1.008
+   735   opls_140     48    ASP    HB2    256       0.06      1.008
+   736   opls_271     48    ASP     CG    257        0.7     12.011
+   737   opls_272     48    ASP    OD1    257       -0.8    15.9994
+   738   opls_272     48    ASP    OD2    257       -0.8    15.9994
+   739   opls_235     48    ASP      C    258        0.5     12.011
+   740   opls_236     48    ASP      O    258       -0.5    15.9994   ; qtot 4
+; residue  49 GLY rtp GLY  q  0.0
+   741   opls_238     49    GLY      N    259       -0.5    14.0067
+   742   opls_241     49    GLY      H    259        0.3      1.008
+   743  opls_223B     49    GLY     CA    259       0.08     12.011
+   744   opls_140     49    GLY    HA1    259       0.06      1.008
+   745   opls_140     49    GLY    HA2    259       0.06      1.008
+   746   opls_235     49    GLY      C    260        0.5     12.011
+   747   opls_236     49    GLY      O    260       -0.5    15.9994   ; qtot 4
+; residue  50 SER rtp SER  q  0.0
+   748   opls_238     50    SER      N    261       -0.5    14.0067
+   749   opls_241     50    SER      H    261        0.3      1.008
+   750  opls_224B     50    SER     CA    261       0.14     12.011
+   751   opls_140     50    SER     HA    261       0.06      1.008
+   752   opls_157     50    SER     CB    262      0.145     12.011
+   753   opls_140     50    SER    HB1    262       0.06      1.008
+   754   opls_140     50    SER    HB2    262       0.06      1.008
+   755   opls_154     50    SER     OG    263     -0.683    15.9994
+   756   opls_155     50    SER     HG    263      0.418      1.008
+   757   opls_235     50    SER      C    264        0.5     12.011
+   758   opls_236     50    SER      O    264       -0.5    15.9994   ; qtot 4
+; residue  51 THR rtp THR  q  0.0
+   759   opls_238     51    THR      N    265       -0.5    14.0067
+   760   opls_241     51    THR      H    265        0.3      1.008
+   761  opls_224B     51    THR     CA    265       0.14     12.011
+   762   opls_140     51    THR     HA    265       0.06      1.008
+   763   opls_158     51    THR     CB    266      0.205     12.011
+   764   opls_140     51    THR     HB    266       0.06      1.008
+   765   opls_154     51    THR    OG1    266     -0.683    15.9994
+   766   opls_155     51    THR    HG1    266      0.418      1.008
+   767   opls_135     51    THR    CG2    267      -0.18     12.011
+   768   opls_140     51    THR   HG21    267       0.06      1.008
+   769   opls_140     51    THR   HG22    267       0.06      1.008
+   770   opls_140     51    THR   HG23    267       0.06      1.008
+   771   opls_235     51    THR      C    268        0.5     12.011
+   772   opls_236     51    THR      O    268       -0.5    15.9994   ; qtot 4
+; residue  52 ASP rtp ASP  q -1.0
+   773   opls_238     52    ASP      N    269       -0.5    14.0067
+   774   opls_241     52    ASP      H    269        0.3      1.008
+   775  opls_224B     52    ASP     CA    269       0.14     12.011
+   776   opls_140     52    ASP     HA    269       0.06      1.008
+   777   opls_274     52    ASP     CB    270      -0.22     12.011
+   778   opls_140     52    ASP    HB1    270       0.06      1.008
+   779   opls_140     52    ASP    HB2    270       0.06      1.008
+   780   opls_271     52    ASP     CG    271        0.7     12.011
+   781   opls_272     52    ASP    OD1    271       -0.8    15.9994
+   782   opls_272     52    ASP    OD2    271       -0.8    15.9994
+   783   opls_235     52    ASP      C    272        0.5     12.011
+   784   opls_236     52    ASP      O    272       -0.5    15.9994   ; qtot 3
+; residue  53 TYR rtp TYR  q  0.0
+   785   opls_238     53    TYR      N    273       -0.5    14.0067
+   786   opls_241     53    TYR      H    273        0.3      1.008
+   787  opls_224B     53    TYR     CA    273       0.14     12.011
+   788   opls_140     53    TYR     HA    273       0.06      1.008
+   789   opls_149     53    TYR     CB    274     -0.005     12.011
+   790   opls_140     53    TYR    HB1    274       0.06      1.008
+   791   opls_140     53    TYR    HB2    274       0.06      1.008
+   792   opls_145     53    TYR     CG    274     -0.115     12.011
+   793   opls_145     53    TYR    CD1    275     -0.115     12.011
+   794   opls_146     53    TYR    HD1    275      0.115      1.008
+   795   opls_145     53    TYR    CD2    276     -0.115     12.011
+   796   opls_146     53    TYR    HD2    276      0.115      1.008
+   797   opls_145     53    TYR    CE1    277     -0.115     12.011
+   798   opls_146     53    TYR    HE1    277      0.115      1.008
+   799   opls_145     53    TYR    CE2    278     -0.115     12.011
+   800   opls_146     53    TYR    HE2    278      0.115      1.008
+   801   opls_166     53    TYR     CZ    279       0.15     12.011
+   802   opls_167     53    TYR     OH    279     -0.585    15.9994
+   803   opls_168     53    TYR     HH    279      0.435      1.008
+   804   opls_235     53    TYR      C    280        0.5     12.011
+   805   opls_236     53    TYR      O    280       -0.5    15.9994   ; qtot 3
+; residue  54 GLY rtp GLY  q  0.0
+   806   opls_238     54    GLY      N    281       -0.5    14.0067
+   807   opls_241     54    GLY      H    281        0.3      1.008
+   808  opls_223B     54    GLY     CA    281       0.08     12.011
+   809   opls_140     54    GLY    HA1    281       0.06      1.008
+   810   opls_140     54    GLY    HA2    281       0.06      1.008
+   811   opls_235     54    GLY      C    282        0.5     12.011
+   812   opls_236     54    GLY      O    282       -0.5    15.9994   ; qtot 3
+; residue  55 ILE rtp ILE  q  0.0
+   813   opls_238     55    ILE      N    283       -0.5    14.0067
+   814   opls_241     55    ILE      H    283        0.3      1.008
+   815  opls_224B     55    ILE     CA    283       0.14     12.011
+   816   opls_140     55    ILE     HA    283       0.06      1.008
+   817   opls_137     55    ILE     CB    284      -0.06     12.011
+   818   opls_140     55    ILE     HB    284       0.06      1.008
+   819   opls_136     55    ILE    CG1    285      -0.12     12.011
+   820   opls_140     55    ILE   HG11    285       0.06      1.008
+   821   opls_140     55    ILE   HG12    285       0.06      1.008
+   822   opls_135     55    ILE    CG2    286      -0.18     12.011
+   823   opls_140     55    ILE   HG21    286       0.06      1.008
+   824   opls_140     55    ILE   HG22    286       0.06      1.008
+   825   opls_140     55    ILE   HG23    286       0.06      1.008
+   826   opls_135     55    ILE     CD    287      -0.18     12.011
+   827   opls_140     55    ILE    HD1    287       0.06      1.008
+   828   opls_140     55    ILE    HD2    287       0.06      1.008
+   829   opls_140     55    ILE    HD3    287       0.06      1.008
+   830   opls_235     55    ILE      C    288        0.5     12.011
+   831   opls_236     55    ILE      O    288       -0.5    15.9994   ; qtot 3
+; residue  56 LEU rtp LEU  q  0.0
+   832   opls_238     56    LEU      N    289       -0.5    14.0067
+   833   opls_241     56    LEU      H    289        0.3      1.008
+   834  opls_224B     56    LEU     CA    289       0.14     12.011
+   835   opls_140     56    LEU     HA    289       0.06      1.008
+   836   opls_136     56    LEU     CB    290      -0.12     12.011
+   837   opls_140     56    LEU    HB1    290       0.06      1.008
+   838   opls_140     56    LEU    HB2    290       0.06      1.008
+   839   opls_137     56    LEU     CG    291      -0.06     12.011
+   840   opls_140     56    LEU     HG    291       0.06      1.008
+   841   opls_135     56    LEU    CD1    292      -0.18     12.011
+   842   opls_140     56    LEU   HD11    292       0.06      1.008
+   843   opls_140     56    LEU   HD12    292       0.06      1.008
+   844   opls_140     56    LEU   HD13    292       0.06      1.008
+   845   opls_135     56    LEU    CD2    293      -0.18     12.011
+   846   opls_140     56    LEU   HD21    293       0.06      1.008
+   847   opls_140     56    LEU   HD22    293       0.06      1.008
+   848   opls_140     56    LEU   HD23    293       0.06      1.008
+   849   opls_235     56    LEU      C    294        0.5     12.011
+   850   opls_236     56    LEU      O    294       -0.5    15.9994   ; qtot 3
+; residue  57 GLN rtp GLN  q  0.0
+   851   opls_238     57    GLN      N    295       -0.5    14.0067
+   852   opls_241     57    GLN      H    295        0.3      1.008
+   853  opls_224B     57    GLN     CA    296       0.14     12.011
+   854   opls_140     57    GLN     HA    296       0.06      1.008
+   855   opls_136     57    GLN     CB    297      -0.12     12.011
+   856   opls_140     57    GLN    HB1    297       0.06      1.008
+   857   opls_140     57    GLN    HB2    297       0.06      1.008
+   858   opls_136     57    GLN     CG    298      -0.12     12.011
+   859   opls_140     57    GLN    HG1    298       0.06      1.008
+   860   opls_140     57    GLN    HG2    298       0.06      1.008
+   861   opls_235     57    GLN     CD    299        0.5     12.011
+   862   opls_236     57    GLN    OE1    299       -0.5    15.9994
+   863   opls_237     57    GLN    NE2    300      -0.76    14.0067
+   864   opls_240     57    GLN   HE21    300       0.38      1.008
+   865   opls_240     57    GLN   HE22    300       0.38      1.008
+   866   opls_235     57    GLN      C    301        0.5     12.011
+   867   opls_236     57    GLN      O    301       -0.5    15.9994   ; qtot 3
+; residue  58 ILE rtp ILE  q  0.0
+   868   opls_238     58    ILE      N    302       -0.5    14.0067
+   869   opls_241     58    ILE      H    302        0.3      1.008
+   870  opls_224B     58    ILE     CA    302       0.14     12.011
+   871   opls_140     58    ILE     HA    302       0.06      1.008
+   872   opls_137     58    ILE     CB    303      -0.06     12.011
+   873   opls_140     58    ILE     HB    303       0.06      1.008
+   874   opls_136     58    ILE    CG1    304      -0.12     12.011
+   875   opls_140     58    ILE   HG11    304       0.06      1.008
+   876   opls_140     58    ILE   HG12    304       0.06      1.008
+   877   opls_135     58    ILE    CG2    305      -0.18     12.011
+   878   opls_140     58    ILE   HG21    305       0.06      1.008
+   879   opls_140     58    ILE   HG22    305       0.06      1.008
+   880   opls_140     58    ILE   HG23    305       0.06      1.008
+   881   opls_135     58    ILE     CD    306      -0.18     12.011
+   882   opls_140     58    ILE    HD1    306       0.06      1.008
+   883   opls_140     58    ILE    HD2    306       0.06      1.008
+   884   opls_140     58    ILE    HD3    306       0.06      1.008
+   885   opls_235     58    ILE      C    307        0.5     12.011
+   886   opls_236     58    ILE      O    307       -0.5    15.9994   ; qtot 3
+; residue  59 ASN rtp ASN  q  0.0
+   887   opls_238     59    ASN      N    308       -0.5    14.0067
+   888   opls_241     59    ASN      H    308        0.3      1.008
+   889  opls_224B     59    ASN     CA    309       0.14     12.011
+   890   opls_140     59    ASN     HA    309       0.06      1.008
+   891   opls_136     59    ASN     CB    310      -0.12     12.011
+   892   opls_140     59    ASN    HB1    310       0.06      1.008
+   893   opls_140     59    ASN    HB2    310       0.06      1.008
+   894   opls_235     59    ASN     CG    311        0.5     12.011
+   895   opls_236     59    ASN    OD1    311       -0.5    15.9994
+   896   opls_237     59    ASN    ND2    312      -0.76    14.0067
+   897   opls_240     59    ASN   HD21    312       0.38      1.008
+   898   opls_240     59    ASN   HD22    312       0.38      1.008
+   899   opls_235     59    ASN      C    313        0.5     12.011
+   900   opls_236     59    ASN      O    313       -0.5    15.9994   ; qtot 3
+; residue  60 SER rtp SER  q  0.0
+   901   opls_238     60    SER      N    314       -0.5    14.0067
+   902   opls_241     60    SER      H    314        0.3      1.008
+   903  opls_224B     60    SER     CA    314       0.14     12.011
+   904   opls_140     60    SER     HA    314       0.06      1.008
+   905   opls_157     60    SER     CB    315      0.145     12.011
+   906   opls_140     60    SER    HB1    315       0.06      1.008
+   907   opls_140     60    SER    HB2    315       0.06      1.008
+   908   opls_154     60    SER     OG    316     -0.683    15.9994
+   909   opls_155     60    SER     HG    316      0.418      1.008
+   910   opls_235     60    SER      C    317        0.5     12.011
+   911   opls_236     60    SER      O    317       -0.5    15.9994   ; qtot 3
+; residue  61 ARG rtp ARG  q +1.0
+   912   opls_238     61    ARG      N    318       -0.5    14.0067
+   913   opls_241     61    ARG      H    318        0.3      1.008
+   914  opls_224B     61    ARG     CA    318       0.14     12.011
+   915   opls_140     61    ARG     HA    318       0.06      1.008
+   916   opls_136     61    ARG     CB    319      -0.12     12.011
+   917   opls_140     61    ARG    HB1    319       0.06      1.008
+   918   opls_140     61    ARG    HB2    319       0.06      1.008
+   919   opls_308     61    ARG     CG    320      -0.05     12.011
+   920   opls_140     61    ARG    HG1    320       0.06      1.008
+   921   opls_140     61    ARG    HG2    320       0.06      1.008
+   922   opls_307     61    ARG     CD    321       0.19     12.011
+   923   opls_140     61    ARG    HD1    321       0.06      1.008
+   924   opls_140     61    ARG    HD2    321       0.06      1.008
+   925   opls_303     61    ARG     NE    322       -0.7    14.0067
+   926   opls_304     61    ARG     HE    322       0.44      1.008
+   927   opls_302     61    ARG     CZ    322       0.64     12.011
+   928   opls_300     61    ARG    NH1    323       -0.8    14.0067
+   929   opls_301     61    ARG   HH11    323       0.46      1.008
+   930   opls_301     61    ARG   HH12    323       0.46      1.008
+   931   opls_300     61    ARG    NH2    324       -0.8    14.0067
+   932   opls_301     61    ARG   HH21    324       0.46      1.008
+   933   opls_301     61    ARG   HH22    324       0.46      1.008
+   934   opls_235     61    ARG      C    325        0.5     12.011
+   935   opls_236     61    ARG      O    325       -0.5    15.9994   ; qtot 4
+; residue  62 TRP rtp TRP  q  0.0
+   936   opls_238     62    TRP      N    326       -0.5    14.0067
+   937   opls_241     62    TRP      H    326        0.3      1.008
+   938  opls_224B     62    TRP     CA    326       0.14     12.011
+   939   opls_140     62    TRP     HA    326       0.06      1.008
+   940   opls_136     62    TRP     CB    327      -0.12     12.011
+   941   opls_140     62    TRP    HB1    327       0.06      1.008
+   942   opls_140     62    TRP    HB2    327       0.06      1.008
+   943   opls_500     62    TRP     CG    328      0.075     12.011
+   944   opls_514     62    TRP    CD1    329     -0.115     12.011
+   945   opls_146     62    TRP    HD1    329      0.115      1.008
+   946   opls_501     62    TRP    CD2    330     -0.055     12.011
+   947   opls_503     62    TRP    NE1    331      -0.57    14.0067
+   948   opls_504     62    TRP    HE1    331       0.42      1.008
+   949   opls_502     62    TRP    CE2    331       0.13     12.011
+   950   opls_145     62    TRP    CE3    332     -0.115     12.011
+   951   opls_146     62    TRP    HE3    332      0.115      1.008
+   952   opls_145     62    TRP    CZ2    333     -0.115     12.011
+   953   opls_146     62    TRP    HZ2    333      0.115      1.008
+   954   opls_145     62    TRP    CZ3    334     -0.115     12.011
+   955   opls_146     62    TRP    HZ3    334      0.115      1.008
+   956   opls_145     62    TRP    CH2    335     -0.115     12.011
+   957   opls_146     62    TRP    HH2    335      0.115      1.008
+   958   opls_235     62    TRP      C    336        0.5     12.011
+   959   opls_236     62    TRP      O    336       -0.5    15.9994   ; qtot 4
+; residue  63 TRP rtp TRP  q  0.0
+   960   opls_238     63    TRP      N    337       -0.5    14.0067
+   961   opls_241     63    TRP      H    337        0.3      1.008
+   962  opls_224B     63    TRP     CA    337       0.14     12.011
+   963   opls_140     63    TRP     HA    337       0.06      1.008
+   964   opls_136     63    TRP     CB    338      -0.12     12.011
+   965   opls_140     63    TRP    HB1    338       0.06      1.008
+   966   opls_140     63    TRP    HB2    338       0.06      1.008
+   967   opls_500     63    TRP     CG    339      0.075     12.011
+   968   opls_514     63    TRP    CD1    340     -0.115     12.011
+   969   opls_146     63    TRP    HD1    340      0.115      1.008
+   970   opls_501     63    TRP    CD2    341     -0.055     12.011
+   971   opls_503     63    TRP    NE1    342      -0.57    14.0067
+   972   opls_504     63    TRP    HE1    342       0.42      1.008
+   973   opls_502     63    TRP    CE2    342       0.13     12.011
+   974   opls_145     63    TRP    CE3    343     -0.115     12.011
+   975   opls_146     63    TRP    HE3    343      0.115      1.008
+   976   opls_145     63    TRP    CZ2    344     -0.115     12.011
+   977   opls_146     63    TRP    HZ2    344      0.115      1.008
+   978   opls_145     63    TRP    CZ3    345     -0.115     12.011
+   979   opls_146     63    TRP    HZ3    345      0.115      1.008
+   980   opls_145     63    TRP    CH2    346     -0.115     12.011
+   981   opls_146     63    TRP    HH2    346      0.115      1.008
+   982   opls_235     63    TRP      C    347        0.5     12.011
+   983   opls_236     63    TRP      O    347       -0.5    15.9994   ; qtot 4
+; residue  64 CYS rtp CYS2 q  0.0
+   984   opls_238     64    CYS      N    348       -0.5    14.0067
+   985   opls_241     64    CYS      H    348        0.3      1.008
+   986  opls_224B     64    CYS     CA    348       0.14     12.011
+   987   opls_140     64    CYS     HA    348       0.06      1.008
+   988   opls_214     64    CYS     CB    349     0.0975     12.011
+   989   opls_140     64    CYS    HB1    349       0.06      1.008
+   990   opls_140     64    CYS    HB2    349       0.06      1.008
+   991   opls_203     64    CYS     SG    349    -0.2175      32.06
+   992   opls_235     64    CYS      C    350        0.5     12.011
+   993   opls_236     64    CYS      O    350       -0.5    15.9994   ; qtot 4
+; residue  65 ASN rtp ASN  q  0.0
+   994   opls_238     65    ASN      N    351       -0.5    14.0067
+   995   opls_241     65    ASN      H    351        0.3      1.008
+   996  opls_224B     65    ASN     CA    352       0.14     12.011
+   997   opls_140     65    ASN     HA    352       0.06      1.008
+   998   opls_136     65    ASN     CB    353      -0.12     12.011
+   999   opls_140     65    ASN    HB1    353       0.06      1.008
+  1000   opls_140     65    ASN    HB2    353       0.06      1.008
+  1001   opls_235     65    ASN     CG    354        0.5     12.011
+  1002   opls_236     65    ASN    OD1    354       -0.5    15.9994
+  1003   opls_237     65    ASN    ND2    355      -0.76    14.0067
+  1004   opls_240     65    ASN   HD21    355       0.38      1.008
+  1005   opls_240     65    ASN   HD22    355       0.38      1.008
+  1006   opls_235     65    ASN      C    356        0.5     12.011
+  1007   opls_236     65    ASN      O    356       -0.5    15.9994   ; qtot 4
+; residue  66 ASP rtp ASP  q -1.0
+  1008   opls_238     66    ASP      N    357       -0.5    14.0067
+  1009   opls_241     66    ASP      H    357        0.3      1.008
+  1010  opls_224B     66    ASP     CA    357       0.14     12.011
+  1011   opls_140     66    ASP     HA    357       0.06      1.008
+  1012   opls_274     66    ASP     CB    358      -0.22     12.011
+  1013   opls_140     66    ASP    HB1    358       0.06      1.008
+  1014   opls_140     66    ASP    HB2    358       0.06      1.008
+  1015   opls_271     66    ASP     CG    359        0.7     12.011
+  1016   opls_272     66    ASP    OD1    359       -0.8    15.9994
+  1017   opls_272     66    ASP    OD2    359       -0.8    15.9994
+  1018   opls_235     66    ASP      C    360        0.5     12.011
+  1019   opls_236     66    ASP      O    360       -0.5    15.9994   ; qtot 3
+; residue  67 GLY rtp GLY  q  0.0
+  1020   opls_238     67    GLY      N    361       -0.5    14.0067
+  1021   opls_241     67    GLY      H    361        0.3      1.008
+  1022  opls_223B     67    GLY     CA    361       0.08     12.011
+  1023   opls_140     67    GLY    HA1    361       0.06      1.008
+  1024   opls_140     67    GLY    HA2    361       0.06      1.008
+  1025   opls_235     67    GLY      C    362        0.5     12.011
+  1026   opls_236     67    GLY      O    362       -0.5    15.9994   ; qtot 3
+; residue  68 ARG rtp ARG  q +1.0
+  1027   opls_238     68    ARG      N    363       -0.5    14.0067
+  1028   opls_241     68    ARG      H    363        0.3      1.008
+  1029  opls_224B     68    ARG     CA    363       0.14     12.011
+  1030   opls_140     68    ARG     HA    363       0.06      1.008
+  1031   opls_136     68    ARG     CB    364      -0.12     12.011
+  1032   opls_140     68    ARG    HB1    364       0.06      1.008
+  1033   opls_140     68    ARG    HB2    364       0.06      1.008
+  1034   opls_308     68    ARG     CG    365      -0.05     12.011
+  1035   opls_140     68    ARG    HG1    365       0.06      1.008
+  1036   opls_140     68    ARG    HG2    365       0.06      1.008
+  1037   opls_307     68    ARG     CD    366       0.19     12.011
+  1038   opls_140     68    ARG    HD1    366       0.06      1.008
+  1039   opls_140     68    ARG    HD2    366       0.06      1.008
+  1040   opls_303     68    ARG     NE    367       -0.7    14.0067
+  1041   opls_304     68    ARG     HE    367       0.44      1.008
+  1042   opls_302     68    ARG     CZ    367       0.64     12.011
+  1043   opls_300     68    ARG    NH1    368       -0.8    14.0067
+  1044   opls_301     68    ARG   HH11    368       0.46      1.008
+  1045   opls_301     68    ARG   HH12    368       0.46      1.008
+  1046   opls_300     68    ARG    NH2    369       -0.8    14.0067
+  1047   opls_301     68    ARG   HH21    369       0.46      1.008
+  1048   opls_301     68    ARG   HH22    369       0.46      1.008
+  1049   opls_235     68    ARG      C    370        0.5     12.011
+  1050   opls_236     68    ARG      O    370       -0.5    15.9994   ; qtot 4
+; residue  69 THR rtp THR  q  0.0
+  1051   opls_238     69    THR      N    371       -0.5    14.0067
+  1052   opls_241     69    THR      H    371        0.3      1.008
+  1053  opls_224B     69    THR     CA    371       0.14     12.011
+  1054   opls_140     69    THR     HA    371       0.06      1.008
+  1055   opls_158     69    THR     CB    372      0.205     12.011
+  1056   opls_140     69    THR     HB    372       0.06      1.008
+  1057   opls_154     69    THR    OG1    372     -0.683    15.9994
+  1058   opls_155     69    THR    HG1    372      0.418      1.008
+  1059   opls_135     69    THR    CG2    373      -0.18     12.011
+  1060   opls_140     69    THR   HG21    373       0.06      1.008
+  1061   opls_140     69    THR   HG22    373       0.06      1.008
+  1062   opls_140     69    THR   HG23    373       0.06      1.008
+  1063   opls_235     69    THR      C    374        0.5     12.011
+  1064   opls_236     69    THR      O    374       -0.5    15.9994   ; qtot 4
+; residue  70 PRO rtp PRO  q  0.0
+  1065   opls_239     70    PRO      N    375      -0.14    14.0067
+  1066   opls_246     70    PRO     CA    375       0.01     12.011
+  1067   opls_140     70    PRO     HA    375       0.06      1.008
+  1068   opls_136     70    PRO     CB    376      -0.12     12.011
+  1069   opls_140     70    PRO    HB1    376       0.06      1.008
+  1070   opls_140     70    PRO    HB2    376       0.06      1.008
+  1071   opls_136     70    PRO     CG    377      -0.12     12.011
+  1072   opls_140     70    PRO    HG1    377       0.06      1.008
+  1073   opls_140     70    PRO    HG2    377       0.06      1.008
+  1074   opls_245     70    PRO     CD    378      -0.05     12.011
+  1075   opls_140     70    PRO    HD1    378       0.06      1.008
+  1076   opls_140     70    PRO    HD2    378       0.06      1.008
+  1077   opls_235     70    PRO      C    379        0.5     12.011
+  1078   opls_236     70    PRO      O    379       -0.5    15.9994   ; qtot 4
+; residue  71 GLY rtp GLY  q  0.0
+  1079   opls_238     71    GLY      N    380       -0.5    14.0067
+  1080   opls_241     71    GLY      H    380        0.3      1.008
+  1081  opls_223B     71    GLY     CA    380       0.08     12.011
+  1082   opls_140     71    GLY    HA1    380       0.06      1.008
+  1083   opls_140     71    GLY    HA2    380       0.06      1.008
+  1084   opls_235     71    GLY      C    381        0.5     12.011
+  1085   opls_236     71    GLY      O    381       -0.5    15.9994   ; qtot 4
+; residue  72 SER rtp SER  q  0.0
+  1086   opls_238     72    SER      N    382       -0.5    14.0067
+  1087   opls_241     72    SER      H    382        0.3      1.008
+  1088  opls_224B     72    SER     CA    382       0.14     12.011
+  1089   opls_140     72    SER     HA    382       0.06      1.008
+  1090   opls_157     72    SER     CB    383      0.145     12.011
+  1091   opls_140     72    SER    HB1    383       0.06      1.008
+  1092   opls_140     72    SER    HB2    383       0.06      1.008
+  1093   opls_154     72    SER     OG    384     -0.683    15.9994
+  1094   opls_155     72    SER     HG    384      0.418      1.008
+  1095   opls_235     72    SER      C    385        0.5     12.011
+  1096   opls_236     72    SER      O    385       -0.5    15.9994   ; qtot 4
+; residue  73 ARG rtp ARG  q +1.0
+  1097   opls_238     73    ARG      N    386       -0.5    14.0067
+  1098   opls_241     73    ARG      H    386        0.3      1.008
+  1099  opls_224B     73    ARG     CA    386       0.14     12.011
+  1100   opls_140     73    ARG     HA    386       0.06      1.008
+  1101   opls_136     73    ARG     CB    387      -0.12     12.011
+  1102   opls_140     73    ARG    HB1    387       0.06      1.008
+  1103   opls_140     73    ARG    HB2    387       0.06      1.008
+  1104   opls_308     73    ARG     CG    388      -0.05     12.011
+  1105   opls_140     73    ARG    HG1    388       0.06      1.008
+  1106   opls_140     73    ARG    HG2    388       0.06      1.008
+  1107   opls_307     73    ARG     CD    389       0.19     12.011
+  1108   opls_140     73    ARG    HD1    389       0.06      1.008
+  1109   opls_140     73    ARG    HD2    389       0.06      1.008
+  1110   opls_303     73    ARG     NE    390       -0.7    14.0067
+  1111   opls_304     73    ARG     HE    390       0.44      1.008
+  1112   opls_302     73    ARG     CZ    390       0.64     12.011
+  1113   opls_300     73    ARG    NH1    391       -0.8    14.0067
+  1114   opls_301     73    ARG   HH11    391       0.46      1.008
+  1115   opls_301     73    ARG   HH12    391       0.46      1.008
+  1116   opls_300     73    ARG    NH2    392       -0.8    14.0067
+  1117   opls_301     73    ARG   HH21    392       0.46      1.008
+  1118   opls_301     73    ARG   HH22    392       0.46      1.008
+  1119   opls_235     73    ARG      C    393        0.5     12.011
+  1120   opls_236     73    ARG      O    393       -0.5    15.9994   ; qtot 5
+; residue  74 ASN rtp ASN  q  0.0
+  1121   opls_238     74    ASN      N    394       -0.5    14.0067
+  1122   opls_241     74    ASN      H    394        0.3      1.008
+  1123  opls_224B     74    ASN     CA    395       0.14     12.011
+  1124   opls_140     74    ASN     HA    395       0.06      1.008
+  1125   opls_136     74    ASN     CB    396      -0.12     12.011
+  1126   opls_140     74    ASN    HB1    396       0.06      1.008
+  1127   opls_140     74    ASN    HB2    396       0.06      1.008
+  1128   opls_235     74    ASN     CG    397        0.5     12.011
+  1129   opls_236     74    ASN    OD1    397       -0.5    15.9994
+  1130   opls_237     74    ASN    ND2    398      -0.76    14.0067
+  1131   opls_240     74    ASN   HD21    398       0.38      1.008
+  1132   opls_240     74    ASN   HD22    398       0.38      1.008
+  1133   opls_235     74    ASN      C    399        0.5     12.011
+  1134   opls_236     74    ASN      O    399       -0.5    15.9994   ; qtot 5
+; residue  75 LEU rtp LEU  q  0.0
+  1135   opls_238     75    LEU      N    400       -0.5    14.0067
+  1136   opls_241     75    LEU      H    400        0.3      1.008
+  1137  opls_224B     75    LEU     CA    400       0.14     12.011
+  1138   opls_140     75    LEU     HA    400       0.06      1.008
+  1139   opls_136     75    LEU     CB    401      -0.12     12.011
+  1140   opls_140     75    LEU    HB1    401       0.06      1.008
+  1141   opls_140     75    LEU    HB2    401       0.06      1.008
+  1142   opls_137     75    LEU     CG    402      -0.06     12.011
+  1143   opls_140     75    LEU     HG    402       0.06      1.008
+  1144   opls_135     75    LEU    CD1    403      -0.18     12.011
+  1145   opls_140     75    LEU   HD11    403       0.06      1.008
+  1146   opls_140     75    LEU   HD12    403       0.06      1.008
+  1147   opls_140     75    LEU   HD13    403       0.06      1.008
+  1148   opls_135     75    LEU    CD2    404      -0.18     12.011
+  1149   opls_140     75    LEU   HD21    404       0.06      1.008
+  1150   opls_140     75    LEU   HD22    404       0.06      1.008
+  1151   opls_140     75    LEU   HD23    404       0.06      1.008
+  1152   opls_235     75    LEU      C    405        0.5     12.011
+  1153   opls_236     75    LEU      O    405       -0.5    15.9994   ; qtot 5
+; residue  76 CYS rtp CYS2 q  0.0
+  1154   opls_238     76    CYS      N    406       -0.5    14.0067
+  1155   opls_241     76    CYS      H    406        0.3      1.008
+  1156  opls_224B     76    CYS     CA    406       0.14     12.011
+  1157   opls_140     76    CYS     HA    406       0.06      1.008
+  1158   opls_214     76    CYS     CB    407     0.0975     12.011
+  1159   opls_140     76    CYS    HB1    407       0.06      1.008
+  1160   opls_140     76    CYS    HB2    407       0.06      1.008
+  1161   opls_203     76    CYS     SG    407    -0.2175      32.06
+  1162   opls_235     76    CYS      C    408        0.5     12.011
+  1163   opls_236     76    CYS      O    408       -0.5    15.9994   ; qtot 5
+; residue  77 ASN rtp ASN  q  0.0
+  1164   opls_238     77    ASN      N    409       -0.5    14.0067
+  1165   opls_241     77    ASN      H    409        0.3      1.008
+  1166  opls_224B     77    ASN     CA    410       0.14     12.011
+  1167   opls_140     77    ASN     HA    410       0.06      1.008
+  1168   opls_136     77    ASN     CB    411      -0.12     12.011
+  1169   opls_140     77    ASN    HB1    411       0.06      1.008
+  1170   opls_140     77    ASN    HB2    411       0.06      1.008
+  1171   opls_235     77    ASN     CG    412        0.5     12.011
+  1172   opls_236     77    ASN    OD1    412       -0.5    15.9994
+  1173   opls_237     77    ASN    ND2    413      -0.76    14.0067
+  1174   opls_240     77    ASN   HD21    413       0.38      1.008
+  1175   opls_240     77    ASN   HD22    413       0.38      1.008
+  1176   opls_235     77    ASN      C    414        0.5     12.011
+  1177   opls_236     77    ASN      O    414       -0.5    15.9994   ; qtot 5
+; residue  78 ILE rtp ILE  q  0.0
+  1178   opls_238     78    ILE      N    415       -0.5    14.0067
+  1179   opls_241     78    ILE      H    415        0.3      1.008
+  1180  opls_224B     78    ILE     CA    415       0.14     12.011
+  1181   opls_140     78    ILE     HA    415       0.06      1.008
+  1182   opls_137     78    ILE     CB    416      -0.06     12.011
+  1183   opls_140     78    ILE     HB    416       0.06      1.008
+  1184   opls_136     78    ILE    CG1    417      -0.12     12.011
+  1185   opls_140     78    ILE   HG11    417       0.06      1.008
+  1186   opls_140     78    ILE   HG12    417       0.06      1.008
+  1187   opls_135     78    ILE    CG2    418      -0.18     12.011
+  1188   opls_140     78    ILE   HG21    418       0.06      1.008
+  1189   opls_140     78    ILE   HG22    418       0.06      1.008
+  1190   opls_140     78    ILE   HG23    418       0.06      1.008
+  1191   opls_135     78    ILE     CD    419      -0.18     12.011
+  1192   opls_140     78    ILE    HD1    419       0.06      1.008
+  1193   opls_140     78    ILE    HD2    419       0.06      1.008
+  1194   opls_140     78    ILE    HD3    419       0.06      1.008
+  1195   opls_235     78    ILE      C    420        0.5     12.011
+  1196   opls_236     78    ILE      O    420       -0.5    15.9994   ; qtot 5
+; residue  79 PRO rtp PRO  q  0.0
+  1197   opls_239     79    PRO      N    421      -0.14    14.0067
+  1198   opls_246     79    PRO     CA    421       0.01     12.011
+  1199   opls_140     79    PRO     HA    421       0.06      1.008
+  1200   opls_136     79    PRO     CB    422      -0.12     12.011
+  1201   opls_140     79    PRO    HB1    422       0.06      1.008
+  1202   opls_140     79    PRO    HB2    422       0.06      1.008
+  1203   opls_136     79    PRO     CG    423      -0.12     12.011
+  1204   opls_140     79    PRO    HG1    423       0.06      1.008
+  1205   opls_140     79    PRO    HG2    423       0.06      1.008
+  1206   opls_245     79    PRO     CD    424      -0.05     12.011
+  1207   opls_140     79    PRO    HD1    424       0.06      1.008
+  1208   opls_140     79    PRO    HD2    424       0.06      1.008
+  1209   opls_235     79    PRO      C    425        0.5     12.011
+  1210   opls_236     79    PRO      O    425       -0.5    15.9994   ; qtot 5
+; residue  80 CYS rtp CYS2 q  0.0
+  1211   opls_238     80    CYS      N    426       -0.5    14.0067
+  1212   opls_241     80    CYS      H    426        0.3      1.008
+  1213  opls_224B     80    CYS     CA    426       0.14     12.011
+  1214   opls_140     80    CYS     HA    426       0.06      1.008
+  1215   opls_214     80    CYS     CB    427     0.0975     12.011
+  1216   opls_140     80    CYS    HB1    427       0.06      1.008
+  1217   opls_140     80    CYS    HB2    427       0.06      1.008
+  1218   opls_203     80    CYS     SG    427    -0.2175      32.06
+  1219   opls_235     80    CYS      C    428        0.5     12.011
+  1220   opls_236     80    CYS      O    428       -0.5    15.9994   ; qtot 5
+; residue  81 SER rtp SER  q  0.0
+  1221   opls_238     81    SER      N    429       -0.5    14.0067
+  1222   opls_241     81    SER      H    429        0.3      1.008
+  1223  opls_224B     81    SER     CA    429       0.14     12.011
+  1224   opls_140     81    SER     HA    429       0.06      1.008
+  1225   opls_157     81    SER     CB    430      0.145     12.011
+  1226   opls_140     81    SER    HB1    430       0.06      1.008
+  1227   opls_140     81    SER    HB2    430       0.06      1.008
+  1228   opls_154     81    SER     OG    431     -0.683    15.9994
+  1229   opls_155     81    SER     HG    431      0.418      1.008
+  1230   opls_235     81    SER      C    432        0.5     12.011
+  1231   opls_236     81    SER      O    432       -0.5    15.9994   ; qtot 5
+; residue  82 ALA rtp ALA  q  0.0
+  1232   opls_238     82    ALA      N    433       -0.5    14.0067
+  1233   opls_241     82    ALA      H    433        0.3      1.008
+  1234  opls_224B     82    ALA     CA    433       0.14     12.011
+  1235   opls_140     82    ALA     HA    433       0.06      1.008
+  1236   opls_135     82    ALA     CB    434      -0.18     12.011
+  1237   opls_140     82    ALA    HB1    434       0.06      1.008
+  1238   opls_140     82    ALA    HB2    434       0.06      1.008
+  1239   opls_140     82    ALA    HB3    434       0.06      1.008
+  1240   opls_235     82    ALA      C    435        0.5     12.011
+  1241   opls_236     82    ALA      O    435       -0.5    15.9994   ; qtot 5
+; residue  83 LEU rtp LEU  q  0.0
+  1242   opls_238     83    LEU      N    436       -0.5    14.0067
+  1243   opls_241     83    LEU      H    436        0.3      1.008
+  1244  opls_224B     83    LEU     CA    436       0.14     12.011
+  1245   opls_140     83    LEU     HA    436       0.06      1.008
+  1246   opls_136     83    LEU     CB    437      -0.12     12.011
+  1247   opls_140     83    LEU    HB1    437       0.06      1.008
+  1248   opls_140     83    LEU    HB2    437       0.06      1.008
+  1249   opls_137     83    LEU     CG    438      -0.06     12.011
+  1250   opls_140     83    LEU     HG    438       0.06      1.008
+  1251   opls_135     83    LEU    CD1    439      -0.18     12.011
+  1252   opls_140     83    LEU   HD11    439       0.06      1.008
+  1253   opls_140     83    LEU   HD12    439       0.06      1.008
+  1254   opls_140     83    LEU   HD13    439       0.06      1.008
+  1255   opls_135     83    LEU    CD2    440      -0.18     12.011
+  1256   opls_140     83    LEU   HD21    440       0.06      1.008
+  1257   opls_140     83    LEU   HD22    440       0.06      1.008
+  1258   opls_140     83    LEU   HD23    440       0.06      1.008
+  1259   opls_235     83    LEU      C    441        0.5     12.011
+  1260   opls_236     83    LEU      O    441       -0.5    15.9994   ; qtot 5
+; residue  84 LEU rtp LEU  q  0.0
+  1261   opls_238     84    LEU      N    442       -0.5    14.0067
+  1262   opls_241     84    LEU      H    442        0.3      1.008
+  1263  opls_224B     84    LEU     CA    442       0.14     12.011
+  1264   opls_140     84    LEU     HA    442       0.06      1.008
+  1265   opls_136     84    LEU     CB    443      -0.12     12.011
+  1266   opls_140     84    LEU    HB1    443       0.06      1.008
+  1267   opls_140     84    LEU    HB2    443       0.06      1.008
+  1268   opls_137     84    LEU     CG    444      -0.06     12.011
+  1269   opls_140     84    LEU     HG    444       0.06      1.008
+  1270   opls_135     84    LEU    CD1    445      -0.18     12.011
+  1271   opls_140     84    LEU   HD11    445       0.06      1.008
+  1272   opls_140     84    LEU   HD12    445       0.06      1.008
+  1273   opls_140     84    LEU   HD13    445       0.06      1.008
+  1274   opls_135     84    LEU    CD2    446      -0.18     12.011
+  1275   opls_140     84    LEU   HD21    446       0.06      1.008
+  1276   opls_140     84    LEU   HD22    446       0.06      1.008
+  1277   opls_140     84    LEU   HD23    446       0.06      1.008
+  1278   opls_235     84    LEU      C    447        0.5     12.011
+  1279   opls_236     84    LEU      O    447       -0.5    15.9994   ; qtot 5
+; residue  85 SER rtp SER  q  0.0
+  1280   opls_238     85    SER      N    448       -0.5    14.0067
+  1281   opls_241     85    SER      H    448        0.3      1.008
+  1282  opls_224B     85    SER     CA    448       0.14     12.011
+  1283   opls_140     85    SER     HA    448       0.06      1.008
+  1284   opls_157     85    SER     CB    449      0.145     12.011
+  1285   opls_140     85    SER    HB1    449       0.06      1.008
+  1286   opls_140     85    SER    HB2    449       0.06      1.008
+  1287   opls_154     85    SER     OG    450     -0.683    15.9994
+  1288   opls_155     85    SER     HG    450      0.418      1.008
+  1289   opls_235     85    SER      C    451        0.5     12.011
+  1290   opls_236     85    SER      O    451       -0.5    15.9994   ; qtot 5
+; residue  86 SER rtp SER  q  0.0
+  1291   opls_238     86    SER      N    452       -0.5    14.0067
+  1292   opls_241     86    SER      H    452        0.3      1.008
+  1293  opls_224B     86    SER     CA    452       0.14     12.011
+  1294   opls_140     86    SER     HA    452       0.06      1.008
+  1295   opls_157     86    SER     CB    453      0.145     12.011
+  1296   opls_140     86    SER    HB1    453       0.06      1.008
+  1297   opls_140     86    SER    HB2    453       0.06      1.008
+  1298   opls_154     86    SER     OG    454     -0.683    15.9994
+  1299   opls_155     86    SER     HG    454      0.418      1.008
+  1300   opls_235     86    SER      C    455        0.5     12.011
+  1301   opls_236     86    SER      O    455       -0.5    15.9994   ; qtot 5
+; residue  87 ASP rtp ASP  q -1.0
+  1302   opls_238     87    ASP      N    456       -0.5    14.0067
+  1303   opls_241     87    ASP      H    456        0.3      1.008
+  1304  opls_224B     87    ASP     CA    456       0.14     12.011
+  1305   opls_140     87    ASP     HA    456       0.06      1.008
+  1306   opls_274     87    ASP     CB    457      -0.22     12.011
+  1307   opls_140     87    ASP    HB1    457       0.06      1.008
+  1308   opls_140     87    ASP    HB2    457       0.06      1.008
+  1309   opls_271     87    ASP     CG    458        0.7     12.011
+  1310   opls_272     87    ASP    OD1    458       -0.8    15.9994
+  1311   opls_272     87    ASP    OD2    458       -0.8    15.9994
+  1312   opls_235     87    ASP      C    459        0.5     12.011
+  1313   opls_236     87    ASP      O    459       -0.5    15.9994   ; qtot 4
+; residue  88 ILE rtp ILE  q  0.0
+  1314   opls_238     88    ILE      N    460       -0.5    14.0067
+  1315   opls_241     88    ILE      H    460        0.3      1.008
+  1316  opls_224B     88    ILE     CA    460       0.14     12.011
+  1317   opls_140     88    ILE     HA    460       0.06      1.008
+  1318   opls_137     88    ILE     CB    461      -0.06     12.011
+  1319   opls_140     88    ILE     HB    461       0.06      1.008
+  1320   opls_136     88    ILE    CG1    462      -0.12     12.011
+  1321   opls_140     88    ILE   HG11    462       0.06      1.008
+  1322   opls_140     88    ILE   HG12    462       0.06      1.008
+  1323   opls_135     88    ILE    CG2    463      -0.18     12.011
+  1324   opls_140     88    ILE   HG21    463       0.06      1.008
+  1325   opls_140     88    ILE   HG22    463       0.06      1.008
+  1326   opls_140     88    ILE   HG23    463       0.06      1.008
+  1327   opls_135     88    ILE     CD    464      -0.18     12.011
+  1328   opls_140     88    ILE    HD1    464       0.06      1.008
+  1329   opls_140     88    ILE    HD2    464       0.06      1.008
+  1330   opls_140     88    ILE    HD3    464       0.06      1.008
+  1331   opls_235     88    ILE      C    465        0.5     12.011
+  1332   opls_236     88    ILE      O    465       -0.5    15.9994   ; qtot 4
+; residue  89 THR rtp THR  q  0.0
+  1333   opls_238     89    THR      N    466       -0.5    14.0067
+  1334   opls_241     89    THR      H    466        0.3      1.008
+  1335  opls_224B     89    THR     CA    466       0.14     12.011
+  1336   opls_140     89    THR     HA    466       0.06      1.008
+  1337   opls_158     89    THR     CB    467      0.205     12.011
+  1338   opls_140     89    THR     HB    467       0.06      1.008
+  1339   opls_154     89    THR    OG1    467     -0.683    15.9994
+  1340   opls_155     89    THR    HG1    467      0.418      1.008
+  1341   opls_135     89    THR    CG2    468      -0.18     12.011
+  1342   opls_140     89    THR   HG21    468       0.06      1.008
+  1343   opls_140     89    THR   HG22    468       0.06      1.008
+  1344   opls_140     89    THR   HG23    468       0.06      1.008
+  1345   opls_235     89    THR      C    469        0.5     12.011
+  1346   opls_236     89    THR      O    469       -0.5    15.9994   ; qtot 4
+; residue  90 ALA rtp ALA  q  0.0
+  1347   opls_238     90    ALA      N    470       -0.5    14.0067
+  1348   opls_241     90    ALA      H    470        0.3      1.008
+  1349  opls_224B     90    ALA     CA    470       0.14     12.011
+  1350   opls_140     90    ALA     HA    470       0.06      1.008
+  1351   opls_135     90    ALA     CB    471      -0.18     12.011
+  1352   opls_140     90    ALA    HB1    471       0.06      1.008
+  1353   opls_140     90    ALA    HB2    471       0.06      1.008
+  1354   opls_140     90    ALA    HB3    471       0.06      1.008
+  1355   opls_235     90    ALA      C    472        0.5     12.011
+  1356   opls_236     90    ALA      O    472       -0.5    15.9994   ; qtot 4
+; residue  91 SER rtp SER  q  0.0
+  1357   opls_238     91    SER      N    473       -0.5    14.0067
+  1358   opls_241     91    SER      H    473        0.3      1.008
+  1359  opls_224B     91    SER     CA    473       0.14     12.011
+  1360   opls_140     91    SER     HA    473       0.06      1.008
+  1361   opls_157     91    SER     CB    474      0.145     12.011
+  1362   opls_140     91    SER    HB1    474       0.06      1.008
+  1363   opls_140     91    SER    HB2    474       0.06      1.008
+  1364   opls_154     91    SER     OG    475     -0.683    15.9994
+  1365   opls_155     91    SER     HG    475      0.418      1.008
+  1366   opls_235     91    SER      C    476        0.5     12.011
+  1367   opls_236     91    SER      O    476       -0.5    15.9994   ; qtot 4
+; residue  92 VAL rtp VAL  q  0.0
+  1368   opls_238     92    VAL      N    477       -0.5    14.0067
+  1369   opls_241     92    VAL      H    477        0.3      1.008
+  1370  opls_224B     92    VAL     CA    477       0.14     12.011
+  1371   opls_140     92    VAL     HA    477       0.06      1.008
+  1372   opls_137     92    VAL     CB    478      -0.06     12.011
+  1373   opls_140     92    VAL     HB    478       0.06      1.008
+  1374   opls_135     92    VAL    CG1    479      -0.18     12.011
+  1375   opls_140     92    VAL   HG11    479       0.06      1.008
+  1376   opls_140     92    VAL   HG12    479       0.06      1.008
+  1377   opls_140     92    VAL   HG13    479       0.06      1.008
+  1378   opls_135     92    VAL    CG2    480      -0.18     12.011
+  1379   opls_140     92    VAL   HG21    480       0.06      1.008
+  1380   opls_140     92    VAL   HG22    480       0.06      1.008
+  1381   opls_140     92    VAL   HG23    480       0.06      1.008
+  1382   opls_235     92    VAL      C    481        0.5     12.011
+  1383   opls_236     92    VAL      O    481       -0.5    15.9994   ; qtot 4
+; residue  93 ASN rtp ASN  q  0.0
+  1384   opls_238     93    ASN      N    482       -0.5    14.0067
+  1385   opls_241     93    ASN      H    482        0.3      1.008
+  1386  opls_224B     93    ASN     CA    483       0.14     12.011
+  1387   opls_140     93    ASN     HA    483       0.06      1.008
+  1388   opls_136     93    ASN     CB    484      -0.12     12.011
+  1389   opls_140     93    ASN    HB1    484       0.06      1.008
+  1390   opls_140     93    ASN    HB2    484       0.06      1.008
+  1391   opls_235     93    ASN     CG    485        0.5     12.011
+  1392   opls_236     93    ASN    OD1    485       -0.5    15.9994
+  1393   opls_237     93    ASN    ND2    486      -0.76    14.0067
+  1394   opls_240     93    ASN   HD21    486       0.38      1.008
+  1395   opls_240     93    ASN   HD22    486       0.38      1.008
+  1396   opls_235     93    ASN      C    487        0.5     12.011
+  1397   opls_236     93    ASN      O    487       -0.5    15.9994   ; qtot 4
+; residue  94 CYS rtp CYS2 q  0.0
+  1398   opls_238     94    CYS      N    488       -0.5    14.0067
+  1399   opls_241     94    CYS      H    488        0.3      1.008
+  1400  opls_224B     94    CYS     CA    488       0.14     12.011
+  1401   opls_140     94    CYS     HA    488       0.06      1.008
+  1402   opls_214     94    CYS     CB    489     0.0975     12.011
+  1403   opls_140     94    CYS    HB1    489       0.06      1.008
+  1404   opls_140     94    CYS    HB2    489       0.06      1.008
+  1405   opls_203     94    CYS     SG    489    -0.2175      32.06
+  1406   opls_235     94    CYS      C    490        0.5     12.011
+  1407   opls_236     94    CYS      O    490       -0.5    15.9994   ; qtot 4
+; residue  95 ALA rtp ALA  q  0.0
+  1408   opls_238     95    ALA      N    491       -0.5    14.0067
+  1409   opls_241     95    ALA      H    491        0.3      1.008
+  1410  opls_224B     95    ALA     CA    491       0.14     12.011
+  1411   opls_140     95    ALA     HA    491       0.06      1.008
+  1412   opls_135     95    ALA     CB    492      -0.18     12.011
+  1413   opls_140     95    ALA    HB1    492       0.06      1.008
+  1414   opls_140     95    ALA    HB2    492       0.06      1.008
+  1415   opls_140     95    ALA    HB3    492       0.06      1.008
+  1416   opls_235     95    ALA      C    493        0.5     12.011
+  1417   opls_236     95    ALA      O    493       -0.5    15.9994   ; qtot 4
+; residue  96 LYS rtp LYSH q +1.0
+  1418   opls_238     96    LYS      N    494       -0.5    14.0067
+  1419   opls_241     96    LYS      H    494        0.3      1.008
+  1420  opls_224B     96    LYS     CA    494       0.14     12.011
+  1421   opls_140     96    LYS     HA    494       0.06      1.008
+  1422   opls_136     96    LYS     CB    495      -0.12     12.011
+  1423   opls_140     96    LYS    HB1    495       0.06      1.008
+  1424   opls_140     96    LYS    HB2    495       0.06      1.008
+  1425   opls_136     96    LYS     CG    496      -0.12     12.011
+  1426   opls_140     96    LYS    HG1    496       0.06      1.008
+  1427   opls_140     96    LYS    HG2    496       0.06      1.008
+  1428   opls_136     96    LYS     CD    497      -0.12     12.011
+  1429   opls_140     96    LYS    HD1    497       0.06      1.008
+  1430   opls_140     96    LYS    HD2    497       0.06      1.008
+  1431   opls_292     96    LYS     CE    498       0.19     12.011
+  1432   opls_140     96    LYS    HE1    498       0.06      1.008
+  1433   opls_140     96    LYS    HE2    498       0.06      1.008
+  1434   opls_287     96    LYS     NZ    499       -0.3    14.0067
+  1435   opls_290     96    LYS    HZ1    499       0.33      1.008
+  1436   opls_290     96    LYS    HZ2    499       0.33      1.008
+  1437   opls_290     96    LYS    HZ3    499       0.33      1.008
+  1438   opls_235     96    LYS      C    500        0.5     12.011
+  1439   opls_236     96    LYS      O    500       -0.5    15.9994   ; qtot 5
+; residue  97 LYS rtp LYSH q +1.0
+  1440   opls_238     97    LYS      N    501       -0.5    14.0067
+  1441   opls_241     97    LYS      H    501        0.3      1.008
+  1442  opls_224B     97    LYS     CA    501       0.14     12.011
+  1443   opls_140     97    LYS     HA    501       0.06      1.008
+  1444   opls_136     97    LYS     CB    502      -0.12     12.011
+  1445   opls_140     97    LYS    HB1    502       0.06      1.008
+  1446   opls_140     97    LYS    HB2    502       0.06      1.008
+  1447   opls_136     97    LYS     CG    503      -0.12     12.011
+  1448   opls_140     97    LYS    HG1    503       0.06      1.008
+  1449   opls_140     97    LYS    HG2    503       0.06      1.008
+  1450   opls_136     97    LYS     CD    504      -0.12     12.011
+  1451   opls_140     97    LYS    HD1    504       0.06      1.008
+  1452   opls_140     97    LYS    HD2    504       0.06      1.008
+  1453   opls_292     97    LYS     CE    505       0.19     12.011
+  1454   opls_140     97    LYS    HE1    505       0.06      1.008
+  1455   opls_140     97    LYS    HE2    505       0.06      1.008
+  1456   opls_287     97    LYS     NZ    506       -0.3    14.0067
+  1457   opls_290     97    LYS    HZ1    506       0.33      1.008
+  1458   opls_290     97    LYS    HZ2    506       0.33      1.008
+  1459   opls_290     97    LYS    HZ3    506       0.33      1.008
+  1460   opls_235     97    LYS      C    507        0.5     12.011
+  1461   opls_236     97    LYS      O    507       -0.5    15.9994   ; qtot 6
+; residue  98 ILE rtp ILE  q  0.0
+  1462   opls_238     98    ILE      N    508       -0.5    14.0067
+  1463   opls_241     98    ILE      H    508        0.3      1.008
+  1464  opls_224B     98    ILE     CA    508       0.14     12.011
+  1465   opls_140     98    ILE     HA    508       0.06      1.008
+  1466   opls_137     98    ILE     CB    509      -0.06     12.011
+  1467   opls_140     98    ILE     HB    509       0.06      1.008
+  1468   opls_136     98    ILE    CG1    510      -0.12     12.011
+  1469   opls_140     98    ILE   HG11    510       0.06      1.008
+  1470   opls_140     98    ILE   HG12    510       0.06      1.008
+  1471   opls_135     98    ILE    CG2    511      -0.18     12.011
+  1472   opls_140     98    ILE   HG21    511       0.06      1.008
+  1473   opls_140     98    ILE   HG22    511       0.06      1.008
+  1474   opls_140     98    ILE   HG23    511       0.06      1.008
+  1475   opls_135     98    ILE     CD    512      -0.18     12.011
+  1476   opls_140     98    ILE    HD1    512       0.06      1.008
+  1477   opls_140     98    ILE    HD2    512       0.06      1.008
+  1478   opls_140     98    ILE    HD3    512       0.06      1.008
+  1479   opls_235     98    ILE      C    513        0.5     12.011
+  1480   opls_236     98    ILE      O    513       -0.5    15.9994   ; qtot 6
+; residue  99 VAL rtp VAL  q  0.0
+  1481   opls_238     99    VAL      N    514       -0.5    14.0067
+  1482   opls_241     99    VAL      H    514        0.3      1.008
+  1483  opls_224B     99    VAL     CA    514       0.14     12.011
+  1484   opls_140     99    VAL     HA    514       0.06      1.008
+  1485   opls_137     99    VAL     CB    515      -0.06     12.011
+  1486   opls_140     99    VAL     HB    515       0.06      1.008
+  1487   opls_135     99    VAL    CG1    516      -0.18     12.011
+  1488   opls_140     99    VAL   HG11    516       0.06      1.008
+  1489   opls_140     99    VAL   HG12    516       0.06      1.008
+  1490   opls_140     99    VAL   HG13    516       0.06      1.008
+  1491   opls_135     99    VAL    CG2    517      -0.18     12.011
+  1492   opls_140     99    VAL   HG21    517       0.06      1.008
+  1493   opls_140     99    VAL   HG22    517       0.06      1.008
+  1494   opls_140     99    VAL   HG23    517       0.06      1.008
+  1495   opls_235     99    VAL      C    518        0.5     12.011
+  1496   opls_236     99    VAL      O    518       -0.5    15.9994   ; qtot 6
+; residue 100 SER rtp SER  q  0.0
+  1497   opls_238    100    SER      N    519       -0.5    14.0067
+  1498   opls_241    100    SER      H    519        0.3      1.008
+  1499  opls_224B    100    SER     CA    519       0.14     12.011
+  1500   opls_140    100    SER     HA    519       0.06      1.008
+  1501   opls_157    100    SER     CB    520      0.145     12.011
+  1502   opls_140    100    SER    HB1    520       0.06      1.008
+  1503   opls_140    100    SER    HB2    520       0.06      1.008
+  1504   opls_154    100    SER     OG    521     -0.683    15.9994
+  1505   opls_155    100    SER     HG    521      0.418      1.008
+  1506   opls_235    100    SER      C    522        0.5     12.011
+  1507   opls_236    100    SER      O    522       -0.5    15.9994   ; qtot 6
+; residue 101 ASP rtp ASP  q -1.0
+  1508   opls_238    101    ASP      N    523       -0.5    14.0067
+  1509   opls_241    101    ASP      H    523        0.3      1.008
+  1510  opls_224B    101    ASP     CA    523       0.14     12.011
+  1511   opls_140    101    ASP     HA    523       0.06      1.008
+  1512   opls_274    101    ASP     CB    524      -0.22     12.011
+  1513   opls_140    101    ASP    HB1    524       0.06      1.008
+  1514   opls_140    101    ASP    HB2    524       0.06      1.008
+  1515   opls_271    101    ASP     CG    525        0.7     12.011
+  1516   opls_272    101    ASP    OD1    525       -0.8    15.9994
+  1517   opls_272    101    ASP    OD2    525       -0.8    15.9994
+  1518   opls_235    101    ASP      C    526        0.5     12.011
+  1519   opls_236    101    ASP      O    526       -0.5    15.9994   ; qtot 5
+; residue 102 GLY rtp GLY  q  0.0
+  1520   opls_238    102    GLY      N    527       -0.5    14.0067
+  1521   opls_241    102    GLY      H    527        0.3      1.008
+  1522  opls_223B    102    GLY     CA    527       0.08     12.011
+  1523   opls_140    102    GLY    HA1    527       0.06      1.008
+  1524   opls_140    102    GLY    HA2    527       0.06      1.008
+  1525   opls_235    102    GLY      C    528        0.5     12.011
+  1526   opls_236    102    GLY      O    528       -0.5    15.9994   ; qtot 5
+; residue 103 ASN rtp ASN  q  0.0
+  1527   opls_238    103    ASN      N    529       -0.5    14.0067
+  1528   opls_241    103    ASN      H    529        0.3      1.008
+  1529  opls_224B    103    ASN     CA    530       0.14     12.011
+  1530   opls_140    103    ASN     HA    530       0.06      1.008
+  1531   opls_136    103    ASN     CB    531      -0.12     12.011
+  1532   opls_140    103    ASN    HB1    531       0.06      1.008
+  1533   opls_140    103    ASN    HB2    531       0.06      1.008
+  1534   opls_235    103    ASN     CG    532        0.5     12.011
+  1535   opls_236    103    ASN    OD1    532       -0.5    15.9994
+  1536   opls_237    103    ASN    ND2    533      -0.76    14.0067
+  1537   opls_240    103    ASN   HD21    533       0.38      1.008
+  1538   opls_240    103    ASN   HD22    533       0.38      1.008
+  1539   opls_235    103    ASN      C    534        0.5     12.011
+  1540   opls_236    103    ASN      O    534       -0.5    15.9994   ; qtot 5
+; residue 104 GLY rtp GLY  q  0.0
+  1541   opls_238    104    GLY      N    535       -0.5    14.0067
+  1542   opls_241    104    GLY      H    535        0.3      1.008
+  1543  opls_223B    104    GLY     CA    535       0.08     12.011
+  1544   opls_140    104    GLY    HA1    535       0.06      1.008
+  1545   opls_140    104    GLY    HA2    535       0.06      1.008
+  1546   opls_235    104    GLY      C    536        0.5     12.011
+  1547   opls_236    104    GLY      O    536       -0.5    15.9994   ; qtot 5
+; residue 105 MET rtp MET  q  0.0
+  1548   opls_238    105    MET      N    537       -0.5    14.0067
+  1549   opls_241    105    MET      H    537        0.3      1.008
+  1550  opls_224B    105    MET     CA    537       0.14     12.011
+  1551   opls_140    105    MET     HA    537       0.06      1.008
+  1552   opls_136    105    MET     CB    538      -0.12     12.011
+  1553   opls_140    105    MET    HB1    538       0.06      1.008
+  1554   opls_140    105    MET    HB2    538       0.06      1.008
+  1555   opls_210    105    MET     CG    539      0.048     12.011
+  1556   opls_140    105    MET    HG1    539       0.06      1.008
+  1557   opls_140    105    MET    HG2    539       0.06      1.008
+  1558   opls_202    105    MET     SD    540     -0.335      32.06
+  1559   opls_209    105    MET     CE    541     -0.013     12.011
+  1560   opls_140    105    MET    HE1    541       0.06      1.008
+  1561   opls_140    105    MET    HE2    541       0.06      1.008
+  1562   opls_140    105    MET    HE3    541       0.06      1.008
+  1563   opls_235    105    MET      C    542        0.5     12.011
+  1564   opls_236    105    MET      O    542       -0.5    15.9994   ; qtot 5
+; residue 106 ASN rtp ASN  q  0.0
+  1565   opls_238    106    ASN      N    543       -0.5    14.0067
+  1566   opls_241    106    ASN      H    543        0.3      1.008
+  1567  opls_224B    106    ASN     CA    544       0.14     12.011
+  1568   opls_140    106    ASN     HA    544       0.06      1.008
+  1569   opls_136    106    ASN     CB    545      -0.12     12.011
+  1570   opls_140    106    ASN    HB1    545       0.06      1.008
+  1571   opls_140    106    ASN    HB2    545       0.06      1.008
+  1572   opls_235    106    ASN     CG    546        0.5     12.011
+  1573   opls_236    106    ASN    OD1    546       -0.5    15.9994
+  1574   opls_237    106    ASN    ND2    547      -0.76    14.0067
+  1575   opls_240    106    ASN   HD21    547       0.38      1.008
+  1576   opls_240    106    ASN   HD22    547       0.38      1.008
+  1577   opls_235    106    ASN      C    548        0.5     12.011
+  1578   opls_236    106    ASN      O    548       -0.5    15.9994   ; qtot 5
+; residue 107 ALA rtp ALA  q  0.0
+  1579   opls_238    107    ALA      N    549       -0.5    14.0067
+  1580   opls_241    107    ALA      H    549        0.3      1.008
+  1581  opls_224B    107    ALA     CA    549       0.14     12.011
+  1582   opls_140    107    ALA     HA    549       0.06      1.008
+  1583   opls_135    107    ALA     CB    550      -0.18     12.011
+  1584   opls_140    107    ALA    HB1    550       0.06      1.008
+  1585   opls_140    107    ALA    HB2    550       0.06      1.008
+  1586   opls_140    107    ALA    HB3    550       0.06      1.008
+  1587   opls_235    107    ALA      C    551        0.5     12.011
+  1588   opls_236    107    ALA      O    551       -0.5    15.9994   ; qtot 5
+; residue 108 TRP rtp TRP  q  0.0
+  1589   opls_238    108    TRP      N    552       -0.5    14.0067
+  1590   opls_241    108    TRP      H    552        0.3      1.008
+  1591  opls_224B    108    TRP     CA    552       0.14     12.011
+  1592   opls_140    108    TRP     HA    552       0.06      1.008
+  1593   opls_136    108    TRP     CB    553      -0.12     12.011
+  1594   opls_140    108    TRP    HB1    553       0.06      1.008
+  1595   opls_140    108    TRP    HB2    553       0.06      1.008
+  1596   opls_500    108    TRP     CG    554      0.075     12.011
+  1597   opls_514    108    TRP    CD1    555     -0.115     12.011
+  1598   opls_146    108    TRP    HD1    555      0.115      1.008
+  1599   opls_501    108    TRP    CD2    556     -0.055     12.011
+  1600   opls_503    108    TRP    NE1    557      -0.57    14.0067
+  1601   opls_504    108    TRP    HE1    557       0.42      1.008
+  1602   opls_502    108    TRP    CE2    557       0.13     12.011
+  1603   opls_145    108    TRP    CE3    558     -0.115     12.011
+  1604   opls_146    108    TRP    HE3    558      0.115      1.008
+  1605   opls_145    108    TRP    CZ2    559     -0.115     12.011
+  1606   opls_146    108    TRP    HZ2    559      0.115      1.008
+  1607   opls_145    108    TRP    CZ3    560     -0.115     12.011
+  1608   opls_146    108    TRP    HZ3    560      0.115      1.008
+  1609   opls_145    108    TRP    CH2    561     -0.115     12.011
+  1610   opls_146    108    TRP    HH2    561      0.115      1.008
+  1611   opls_235    108    TRP      C    562        0.5     12.011
+  1612   opls_236    108    TRP      O    562       -0.5    15.9994   ; qtot 5
+; residue 109 VAL rtp VAL  q  0.0
+  1613   opls_238    109    VAL      N    563       -0.5    14.0067
+  1614   opls_241    109    VAL      H    563        0.3      1.008
+  1615  opls_224B    109    VAL     CA    563       0.14     12.011
+  1616   opls_140    109    VAL     HA    563       0.06      1.008
+  1617   opls_137    109    VAL     CB    564      -0.06     12.011
+  1618   opls_140    109    VAL     HB    564       0.06      1.008
+  1619   opls_135    109    VAL    CG1    565      -0.18     12.011
+  1620   opls_140    109    VAL   HG11    565       0.06      1.008
+  1621   opls_140    109    VAL   HG12    565       0.06      1.008
+  1622   opls_140    109    VAL   HG13    565       0.06      1.008
+  1623   opls_135    109    VAL    CG2    566      -0.18     12.011
+  1624   opls_140    109    VAL   HG21    566       0.06      1.008
+  1625   opls_140    109    VAL   HG22    566       0.06      1.008
+  1626   opls_140    109    VAL   HG23    566       0.06      1.008
+  1627   opls_235    109    VAL      C    567        0.5     12.011
+  1628   opls_236    109    VAL      O    567       -0.5    15.9994   ; qtot 5
+; residue 110 ALA rtp ALA  q  0.0
+  1629   opls_238    110    ALA      N    568       -0.5    14.0067
+  1630   opls_241    110    ALA      H    568        0.3      1.008
+  1631  opls_224B    110    ALA     CA    568       0.14     12.011
+  1632   opls_140    110    ALA     HA    568       0.06      1.008
+  1633   opls_135    110    ALA     CB    569      -0.18     12.011
+  1634   opls_140    110    ALA    HB1    569       0.06      1.008
+  1635   opls_140    110    ALA    HB2    569       0.06      1.008
+  1636   opls_140    110    ALA    HB3    569       0.06      1.008
+  1637   opls_235    110    ALA      C    570        0.5     12.011
+  1638   opls_236    110    ALA      O    570       -0.5    15.9994   ; qtot 5
+; residue 111 TRP rtp TRP  q  0.0
+  1639   opls_238    111    TRP      N    571       -0.5    14.0067
+  1640   opls_241    111    TRP      H    571        0.3      1.008
+  1641  opls_224B    111    TRP     CA    571       0.14     12.011
+  1642   opls_140    111    TRP     HA    571       0.06      1.008
+  1643   opls_136    111    TRP     CB    572      -0.12     12.011
+  1644   opls_140    111    TRP    HB1    572       0.06      1.008
+  1645   opls_140    111    TRP    HB2    572       0.06      1.008
+  1646   opls_500    111    TRP     CG    573      0.075     12.011
+  1647   opls_514    111    TRP    CD1    574     -0.115     12.011
+  1648   opls_146    111    TRP    HD1    574      0.115      1.008
+  1649   opls_501    111    TRP    CD2    575     -0.055     12.011
+  1650   opls_503    111    TRP    NE1    576      -0.57    14.0067
+  1651   opls_504    111    TRP    HE1    576       0.42      1.008
+  1652   opls_502    111    TRP    CE2    576       0.13     12.011
+  1653   opls_145    111    TRP    CE3    577     -0.115     12.011
+  1654   opls_146    111    TRP    HE3    577      0.115      1.008
+  1655   opls_145    111    TRP    CZ2    578     -0.115     12.011
+  1656   opls_146    111    TRP    HZ2    578      0.115      1.008
+  1657   opls_145    111    TRP    CZ3    579     -0.115     12.011
+  1658   opls_146    111    TRP    HZ3    579      0.115      1.008
+  1659   opls_145    111    TRP    CH2    580     -0.115     12.011
+  1660   opls_146    111    TRP    HH2    580      0.115      1.008
+  1661   opls_235    111    TRP      C    581        0.5     12.011
+  1662   opls_236    111    TRP      O    581       -0.5    15.9994   ; qtot 5
+; residue 112 ARG rtp ARG  q +1.0
+  1663   opls_238    112    ARG      N    582       -0.5    14.0067
+  1664   opls_241    112    ARG      H    582        0.3      1.008
+  1665  opls_224B    112    ARG     CA    582       0.14     12.011
+  1666   opls_140    112    ARG     HA    582       0.06      1.008
+  1667   opls_136    112    ARG     CB    583      -0.12     12.011
+  1668   opls_140    112    ARG    HB1    583       0.06      1.008
+  1669   opls_140    112    ARG    HB2    583       0.06      1.008
+  1670   opls_308    112    ARG     CG    584      -0.05     12.011
+  1671   opls_140    112    ARG    HG1    584       0.06      1.008
+  1672   opls_140    112    ARG    HG2    584       0.06      1.008
+  1673   opls_307    112    ARG     CD    585       0.19     12.011
+  1674   opls_140    112    ARG    HD1    585       0.06      1.008
+  1675   opls_140    112    ARG    HD2    585       0.06      1.008
+  1676   opls_303    112    ARG     NE    586       -0.7    14.0067
+  1677   opls_304    112    ARG     HE    586       0.44      1.008
+  1678   opls_302    112    ARG     CZ    586       0.64     12.011
+  1679   opls_300    112    ARG    NH1    587       -0.8    14.0067
+  1680   opls_301    112    ARG   HH11    587       0.46      1.008
+  1681   opls_301    112    ARG   HH12    587       0.46      1.008
+  1682   opls_300    112    ARG    NH2    588       -0.8    14.0067
+  1683   opls_301    112    ARG   HH21    588       0.46      1.008
+  1684   opls_301    112    ARG   HH22    588       0.46      1.008
+  1685   opls_235    112    ARG      C    589        0.5     12.011
+  1686   opls_236    112    ARG      O    589       -0.5    15.9994   ; qtot 6
+; residue 113 ASN rtp ASN  q  0.0
+  1687   opls_238    113    ASN      N    590       -0.5    14.0067
+  1688   opls_241    113    ASN      H    590        0.3      1.008
+  1689  opls_224B    113    ASN     CA    591       0.14     12.011
+  1690   opls_140    113    ASN     HA    591       0.06      1.008
+  1691   opls_136    113    ASN     CB    592      -0.12     12.011
+  1692   opls_140    113    ASN    HB1    592       0.06      1.008
+  1693   opls_140    113    ASN    HB2    592       0.06      1.008
+  1694   opls_235    113    ASN     CG    593        0.5     12.011
+  1695   opls_236    113    ASN    OD1    593       -0.5    15.9994
+  1696   opls_237    113    ASN    ND2    594      -0.76    14.0067
+  1697   opls_240    113    ASN   HD21    594       0.38      1.008
+  1698   opls_240    113    ASN   HD22    594       0.38      1.008
+  1699   opls_235    113    ASN      C    595        0.5     12.011
+  1700   opls_236    113    ASN      O    595       -0.5    15.9994   ; qtot 6
+; residue 114 ARG rtp ARG  q +1.0
+  1701   opls_238    114    ARG      N    596       -0.5    14.0067
+  1702   opls_241    114    ARG      H    596        0.3      1.008
+  1703  opls_224B    114    ARG     CA    596       0.14     12.011
+  1704   opls_140    114    ARG     HA    596       0.06      1.008
+  1705   opls_136    114    ARG     CB    597      -0.12     12.011
+  1706   opls_140    114    ARG    HB1    597       0.06      1.008
+  1707   opls_140    114    ARG    HB2    597       0.06      1.008
+  1708   opls_308    114    ARG     CG    598      -0.05     12.011
+  1709   opls_140    114    ARG    HG1    598       0.06      1.008
+  1710   opls_140    114    ARG    HG2    598       0.06      1.008
+  1711   opls_307    114    ARG     CD    599       0.19     12.011
+  1712   opls_140    114    ARG    HD1    599       0.06      1.008
+  1713   opls_140    114    ARG    HD2    599       0.06      1.008
+  1714   opls_303    114    ARG     NE    600       -0.7    14.0067
+  1715   opls_304    114    ARG     HE    600       0.44      1.008
+  1716   opls_302    114    ARG     CZ    600       0.64     12.011
+  1717   opls_300    114    ARG    NH1    601       -0.8    14.0067
+  1718   opls_301    114    ARG   HH11    601       0.46      1.008
+  1719   opls_301    114    ARG   HH12    601       0.46      1.008
+  1720   opls_300    114    ARG    NH2    602       -0.8    14.0067
+  1721   opls_301    114    ARG   HH21    602       0.46      1.008
+  1722   opls_301    114    ARG   HH22    602       0.46      1.008
+  1723   opls_235    114    ARG      C    603        0.5     12.011
+  1724   opls_236    114    ARG      O    603       -0.5    15.9994   ; qtot 7
+; residue 115 CYS rtp CYS2 q  0.0
+  1725   opls_238    115    CYS      N    604       -0.5    14.0067
+  1726   opls_241    115    CYS      H    604        0.3      1.008
+  1727  opls_224B    115    CYS     CA    604       0.14     12.011
+  1728   opls_140    115    CYS     HA    604       0.06      1.008
+  1729   opls_214    115    CYS     CB    605     0.0975     12.011
+  1730   opls_140    115    CYS    HB1    605       0.06      1.008
+  1731   opls_140    115    CYS    HB2    605       0.06      1.008
+  1732   opls_203    115    CYS     SG    605    -0.2175      32.06
+  1733   opls_235    115    CYS      C    606        0.5     12.011
+  1734   opls_236    115    CYS      O    606       -0.5    15.9994   ; qtot 7
+; residue 116 LYS rtp LYSH q +1.0
+  1735   opls_238    116    LYS      N    607       -0.5    14.0067
+  1736   opls_241    116    LYS      H    607        0.3      1.008
+  1737  opls_224B    116    LYS     CA    607       0.14     12.011
+  1738   opls_140    116    LYS     HA    607       0.06      1.008
+  1739   opls_136    116    LYS     CB    608      -0.12     12.011
+  1740   opls_140    116    LYS    HB1    608       0.06      1.008
+  1741   opls_140    116    LYS    HB2    608       0.06      1.008
+  1742   opls_136    116    LYS     CG    609      -0.12     12.011
+  1743   opls_140    116    LYS    HG1    609       0.06      1.008
+  1744   opls_140    116    LYS    HG2    609       0.06      1.008
+  1745   opls_136    116    LYS     CD    610      -0.12     12.011
+  1746   opls_140    116    LYS    HD1    610       0.06      1.008
+  1747   opls_140    116    LYS    HD2    610       0.06      1.008
+  1748   opls_292    116    LYS     CE    611       0.19     12.011
+  1749   opls_140    116    LYS    HE1    611       0.06      1.008
+  1750   opls_140    116    LYS    HE2    611       0.06      1.008
+  1751   opls_287    116    LYS     NZ    612       -0.3    14.0067
+  1752   opls_290    116    LYS    HZ1    612       0.33      1.008
+  1753   opls_290    116    LYS    HZ2    612       0.33      1.008
+  1754   opls_290    116    LYS    HZ3    612       0.33      1.008
+  1755   opls_235    116    LYS      C    613        0.5     12.011
+  1756   opls_236    116    LYS      O    613       -0.5    15.9994   ; qtot 8
+; residue 117 GLY rtp GLY  q  0.0
+  1757   opls_238    117    GLY      N    614       -0.5    14.0067
+  1758   opls_241    117    GLY      H    614        0.3      1.008
+  1759  opls_223B    117    GLY     CA    614       0.08     12.011
+  1760   opls_140    117    GLY    HA1    614       0.06      1.008
+  1761   opls_140    117    GLY    HA2    614       0.06      1.008
+  1762   opls_235    117    GLY      C    615        0.5     12.011
+  1763   opls_236    117    GLY      O    615       -0.5    15.9994   ; qtot 8
+; residue 118 THR rtp THR  q  0.0
+  1764   opls_238    118    THR      N    616       -0.5    14.0067
+  1765   opls_241    118    THR      H    616        0.3      1.008
+  1766  opls_224B    118    THR     CA    616       0.14     12.011
+  1767   opls_140    118    THR     HA    616       0.06      1.008
+  1768   opls_158    118    THR     CB    617      0.205     12.011
+  1769   opls_140    118    THR     HB    617       0.06      1.008
+  1770   opls_154    118    THR    OG1    617     -0.683    15.9994
+  1771   opls_155    118    THR    HG1    617      0.418      1.008
+  1772   opls_135    118    THR    CG2    618      -0.18     12.011
+  1773   opls_140    118    THR   HG21    618       0.06      1.008
+  1774   opls_140    118    THR   HG22    618       0.06      1.008
+  1775   opls_140    118    THR   HG23    618       0.06      1.008
+  1776   opls_235    118    THR      C    619        0.5     12.011
+  1777   opls_236    118    THR      O    619       -0.5    15.9994   ; qtot 8
+; residue 119 ASP rtp ASP  q -1.0
+  1778   opls_238    119    ASP      N    620       -0.5    14.0067
+  1779   opls_241    119    ASP      H    620        0.3      1.008
+  1780  opls_224B    119    ASP     CA    620       0.14     12.011
+  1781   opls_140    119    ASP     HA    620       0.06      1.008
+  1782   opls_274    119    ASP     CB    621      -0.22     12.011
+  1783   opls_140    119    ASP    HB1    621       0.06      1.008
+  1784   opls_140    119    ASP    HB2    621       0.06      1.008
+  1785   opls_271    119    ASP     CG    622        0.7     12.011
+  1786   opls_272    119    ASP    OD1    622       -0.8    15.9994
+  1787   opls_272    119    ASP    OD2    622       -0.8    15.9994
+  1788   opls_235    119    ASP      C    623        0.5     12.011
+  1789   opls_236    119    ASP      O    623       -0.5    15.9994   ; qtot 7
+; residue 120 VAL rtp VAL  q  0.0
+  1790   opls_238    120    VAL      N    624       -0.5    14.0067
+  1791   opls_241    120    VAL      H    624        0.3      1.008
+  1792  opls_224B    120    VAL     CA    624       0.14     12.011
+  1793   opls_140    120    VAL     HA    624       0.06      1.008
+  1794   opls_137    120    VAL     CB    625      -0.06     12.011
+  1795   opls_140    120    VAL     HB    625       0.06      1.008
+  1796   opls_135    120    VAL    CG1    626      -0.18     12.011
+  1797   opls_140    120    VAL   HG11    626       0.06      1.008
+  1798   opls_140    120    VAL   HG12    626       0.06      1.008
+  1799   opls_140    120    VAL   HG13    626       0.06      1.008
+  1800   opls_135    120    VAL    CG2    627      -0.18     12.011
+  1801   opls_140    120    VAL   HG21    627       0.06      1.008
+  1802   opls_140    120    VAL   HG22    627       0.06      1.008
+  1803   opls_140    120    VAL   HG23    627       0.06      1.008
+  1804   opls_235    120    VAL      C    628        0.5     12.011
+  1805   opls_236    120    VAL      O    628       -0.5    15.9994   ; qtot 7
+; residue 121 GLN rtp GLN  q  0.0
+  1806   opls_238    121    GLN      N    629       -0.5    14.0067
+  1807   opls_241    121    GLN      H    629        0.3      1.008
+  1808  opls_224B    121    GLN     CA    630       0.14     12.011
+  1809   opls_140    121    GLN     HA    630       0.06      1.008
+  1810   opls_136    121    GLN     CB    631      -0.12     12.011
+  1811   opls_140    121    GLN    HB1    631       0.06      1.008
+  1812   opls_140    121    GLN    HB2    631       0.06      1.008
+  1813   opls_136    121    GLN     CG    632      -0.12     12.011
+  1814   opls_140    121    GLN    HG1    632       0.06      1.008
+  1815   opls_140    121    GLN    HG2    632       0.06      1.008
+  1816   opls_235    121    GLN     CD    633        0.5     12.011
+  1817   opls_236    121    GLN    OE1    633       -0.5    15.9994
+  1818   opls_237    121    GLN    NE2    634      -0.76    14.0067
+  1819   opls_240    121    GLN   HE21    634       0.38      1.008
+  1820   opls_240    121    GLN   HE22    634       0.38      1.008
+  1821   opls_235    121    GLN      C    635        0.5     12.011
+  1822   opls_236    121    GLN      O    635       -0.5    15.9994   ; qtot 7
+; residue 122 ALA rtp ALA  q  0.0
+  1823   opls_238    122    ALA      N    636       -0.5    14.0067
+  1824   opls_241    122    ALA      H    636        0.3      1.008
+  1825  opls_224B    122    ALA     CA    636       0.14     12.011
+  1826   opls_140    122    ALA     HA    636       0.06      1.008
+  1827   opls_135    122    ALA     CB    637      -0.18     12.011
+  1828   opls_140    122    ALA    HB1    637       0.06      1.008
+  1829   opls_140    122    ALA    HB2    637       0.06      1.008
+  1830   opls_140    122    ALA    HB3    637       0.06      1.008
+  1831   opls_235    122    ALA      C    638        0.5     12.011
+  1832   opls_236    122    ALA      O    638       -0.5    15.9994   ; qtot 7
+; residue 123 TRP rtp TRP  q  0.0
+  1833   opls_238    123    TRP      N    639       -0.5    14.0067
+  1834   opls_241    123    TRP      H    639        0.3      1.008
+  1835  opls_224B    123    TRP     CA    639       0.14     12.011
+  1836   opls_140    123    TRP     HA    639       0.06      1.008
+  1837   opls_136    123    TRP     CB    640      -0.12     12.011
+  1838   opls_140    123    TRP    HB1    640       0.06      1.008
+  1839   opls_140    123    TRP    HB2    640       0.06      1.008
+  1840   opls_500    123    TRP     CG    641      0.075     12.011
+  1841   opls_514    123    TRP    CD1    642     -0.115     12.011
+  1842   opls_146    123    TRP    HD1    642      0.115      1.008
+  1843   opls_501    123    TRP    CD2    643     -0.055     12.011
+  1844   opls_503    123    TRP    NE1    644      -0.57    14.0067
+  1845   opls_504    123    TRP    HE1    644       0.42      1.008
+  1846   opls_502    123    TRP    CE2    644       0.13     12.011
+  1847   opls_145    123    TRP    CE3    645     -0.115     12.011
+  1848   opls_146    123    TRP    HE3    645      0.115      1.008
+  1849   opls_145    123    TRP    CZ2    646     -0.115     12.011
+  1850   opls_146    123    TRP    HZ2    646      0.115      1.008
+  1851   opls_145    123    TRP    CZ3    647     -0.115     12.011
+  1852   opls_146    123    TRP    HZ3    647      0.115      1.008
+  1853   opls_145    123    TRP    CH2    648     -0.115     12.011
+  1854   opls_146    123    TRP    HH2    648      0.115      1.008
+  1855   opls_235    123    TRP      C    649        0.5     12.011
+  1856   opls_236    123    TRP      O    649       -0.5    15.9994   ; qtot 7
+; residue 124 ILE rtp ILE  q  0.0
+  1857   opls_238    124    ILE      N    650       -0.5    14.0067
+  1858   opls_241    124    ILE      H    650        0.3      1.008
+  1859  opls_224B    124    ILE     CA    650       0.14     12.011
+  1860   opls_140    124    ILE     HA    650       0.06      1.008
+  1861   opls_137    124    ILE     CB    651      -0.06     12.011
+  1862   opls_140    124    ILE     HB    651       0.06      1.008
+  1863   opls_136    124    ILE    CG1    652      -0.12     12.011
+  1864   opls_140    124    ILE   HG11    652       0.06      1.008
+  1865   opls_140    124    ILE   HG12    652       0.06      1.008
+  1866   opls_135    124    ILE    CG2    653      -0.18     12.011
+  1867   opls_140    124    ILE   HG21    653       0.06      1.008
+  1868   opls_140    124    ILE   HG22    653       0.06      1.008
+  1869   opls_140    124    ILE   HG23    653       0.06      1.008
+  1870   opls_135    124    ILE     CD    654      -0.18     12.011
+  1871   opls_140    124    ILE    HD1    654       0.06      1.008
+  1872   opls_140    124    ILE    HD2    654       0.06      1.008
+  1873   opls_140    124    ILE    HD3    654       0.06      1.008
+  1874   opls_235    124    ILE      C    655        0.5     12.011
+  1875   opls_236    124    ILE      O    655       -0.5    15.9994   ; qtot 7
+; residue 125 ARG rtp ARG  q +1.0
+  1876   opls_238    125    ARG      N    656       -0.5    14.0067
+  1877   opls_241    125    ARG      H    656        0.3      1.008
+  1878  opls_224B    125    ARG     CA    656       0.14     12.011
+  1879   opls_140    125    ARG     HA    656       0.06      1.008
+  1880   opls_136    125    ARG     CB    657      -0.12     12.011
+  1881   opls_140    125    ARG    HB1    657       0.06      1.008
+  1882   opls_140    125    ARG    HB2    657       0.06      1.008
+  1883   opls_308    125    ARG     CG    658      -0.05     12.011
+  1884   opls_140    125    ARG    HG1    658       0.06      1.008
+  1885   opls_140    125    ARG    HG2    658       0.06      1.008
+  1886   opls_307    125    ARG     CD    659       0.19     12.011
+  1887   opls_140    125    ARG    HD1    659       0.06      1.008
+  1888   opls_140    125    ARG    HD2    659       0.06      1.008
+  1889   opls_303    125    ARG     NE    660       -0.7    14.0067
+  1890   opls_304    125    ARG     HE    660       0.44      1.008
+  1891   opls_302    125    ARG     CZ    660       0.64     12.011
+  1892   opls_300    125    ARG    NH1    661       -0.8    14.0067
+  1893   opls_301    125    ARG   HH11    661       0.46      1.008
+  1894   opls_301    125    ARG   HH12    661       0.46      1.008
+  1895   opls_300    125    ARG    NH2    662       -0.8    14.0067
+  1896   opls_301    125    ARG   HH21    662       0.46      1.008
+  1897   opls_301    125    ARG   HH22    662       0.46      1.008
+  1898   opls_235    125    ARG      C    663        0.5     12.011
+  1899   opls_236    125    ARG      O    663       -0.5    15.9994   ; qtot 8
+; residue 126 GLY rtp GLY  q  0.0
+  1900   opls_238    126    GLY      N    664       -0.5    14.0067
+  1901   opls_241    126    GLY      H    664        0.3      1.008
+  1902  opls_223B    126    GLY     CA    664       0.08     12.011
+  1903   opls_140    126    GLY    HA1    664       0.06      1.008
+  1904   opls_140    126    GLY    HA2    664       0.06      1.008
+  1905   opls_235    126    GLY      C    665        0.5     12.011
+  1906   opls_236    126    GLY      O    665       -0.5    15.9994   ; qtot 8
+; residue 127 CYS rtp CYS2 q  0.0
+  1907   opls_238    127    CYS      N    666       -0.5    14.0067
+  1908   opls_241    127    CYS      H    666        0.3      1.008
+  1909  opls_224B    127    CYS     CA    666       0.14     12.011
+  1910   opls_140    127    CYS     HA    666       0.06      1.008
+  1911   opls_214    127    CYS     CB    667     0.0975     12.011
+  1912   opls_140    127    CYS    HB1    667       0.06      1.008
+  1913   opls_140    127    CYS    HB2    667       0.06      1.008
+  1914   opls_203    127    CYS     SG    667    -0.2175      32.06
+  1915   opls_235    127    CYS      C    668        0.5     12.011
+  1916   opls_236    127    CYS      O    668       -0.5    15.9994   ; qtot 8
+; residue 128 ARG rtp ARG  q +1.0
+  1917   opls_238    128    ARG      N    669       -0.5    14.0067
+  1918   opls_241    128    ARG      H    669        0.3      1.008
+  1919  opls_224B    128    ARG     CA    669       0.14     12.011
+  1920   opls_140    128    ARG     HA    669       0.06      1.008
+  1921   opls_136    128    ARG     CB    670      -0.12     12.011
+  1922   opls_140    128    ARG    HB1    670       0.06      1.008
+  1923   opls_140    128    ARG    HB2    670       0.06      1.008
+  1924   opls_308    128    ARG     CG    671      -0.05     12.011
+  1925   opls_140    128    ARG    HG1    671       0.06      1.008
+  1926   opls_140    128    ARG    HG2    671       0.06      1.008
+  1927   opls_307    128    ARG     CD    672       0.19     12.011
+  1928   opls_140    128    ARG    HD1    672       0.06      1.008
+  1929   opls_140    128    ARG    HD2    672       0.06      1.008
+  1930   opls_303    128    ARG     NE    673       -0.7    14.0067
+  1931   opls_304    128    ARG     HE    673       0.44      1.008
+  1932   opls_302    128    ARG     CZ    673       0.64     12.011
+  1933   opls_300    128    ARG    NH1    674       -0.8    14.0067
+  1934   opls_301    128    ARG   HH11    674       0.46      1.008
+  1935   opls_301    128    ARG   HH12    674       0.46      1.008
+  1936   opls_300    128    ARG    NH2    675       -0.8    14.0067
+  1937   opls_301    128    ARG   HH21    675       0.46      1.008
+  1938   opls_301    128    ARG   HH22    675       0.46      1.008
+  1939   opls_235    128    ARG      C    676        0.5     12.011
+  1940   opls_236    128    ARG      O    676       -0.5    15.9994   ; qtot 9
+; residue 129 LEU rtp LEU  q -1.0
+  1941   opls_238    129    LEU      N    677       -0.5    14.0067
+  1942   opls_241    129    LEU      H    677        0.3      1.008
+  1943   opls_283    129    LEU     CA    677       0.04     12.011
+  1944   opls_140    129    LEU     HA    677       0.06      1.008
+  1945   opls_136    129    LEU     CB    678      -0.12     12.011
+  1946   opls_140    129    LEU    HB1    678       0.06      1.008
+  1947   opls_140    129    LEU    HB2    678       0.06      1.008
+  1948   opls_137    129    LEU     CG    679      -0.06     12.011
+  1949   opls_140    129    LEU     HG    679       0.06      1.008
+  1950   opls_135    129    LEU    CD1    680      -0.18     12.011
+  1951   opls_140    129    LEU   HD11    680       0.06      1.008
+  1952   opls_140    129    LEU   HD12    680       0.06      1.008
+  1953   opls_140    129    LEU   HD13    680       0.06      1.008
+  1954   opls_135    129    LEU    CD2    681      -0.18     12.011
+  1955   opls_140    129    LEU   HD21    681       0.06      1.008
+  1956   opls_140    129    LEU   HD22    681       0.06      1.008
+  1957   opls_140    129    LEU   HD23    681       0.06      1.008
+  1958   opls_271    129    LEU      C    682        0.7     12.011
+  1959   opls_272    129    LEU     O1    682       -0.8    15.9994
+  1960   opls_272    129    LEU     O2    682       -0.8    15.9994   ; qtot 8
+
+[ bonds ]
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+
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+ 1593  1596  1599  1597     1    improper_Z_CA_X_Y
+ 1596  1600  1597  1598     1    improper_Z_CA_X_Y
+ 1597  1602  1600  1601     1    improper_Z_N_X_Y
+ 1602  1609  1605  1606     1    improper_Z_CA_X_Y
+ 1604  1603  1599  1607     1    improper_Z_CA_X_Y
+ 1605  1607  1609  1610     1    improper_Z_CA_X_Y
+ 1608  1607  1603  1609     1    improper_Z_CA_X_Y
+ 1611  1615  1613  1614     1    improper_Z_N_X_Y
+ 1615  1629  1627  1628     1    improper_O_C_X_Y
+ 1627  1631  1629  1630     1    improper_Z_N_X_Y
+ 1631  1639  1637  1638     1    improper_O_C_X_Y
+ 1637  1641  1639  1640     1    improper_Z_N_X_Y
+ 1641  1663  1661  1662     1    improper_O_C_X_Y
+ 1643  1646  1649  1647     1    improper_Z_CA_X_Y
+ 1646  1650  1647  1648     1    improper_Z_CA_X_Y
+ 1647  1652  1650  1651     1    improper_Z_N_X_Y
+ 1652  1659  1655  1656     1    improper_Z_CA_X_Y
+ 1654  1653  1649  1657     1    improper_Z_CA_X_Y
+ 1655  1657  1659  1660     1    improper_Z_CA_X_Y
+ 1658  1657  1653  1659     1    improper_Z_CA_X_Y
+ 1661  1665  1663  1664     1    improper_Z_N_X_Y
+ 1665  1687  1685  1686     1    improper_O_C_X_Y
+ 1673  1678  1676  1677     1    improper_Z_N_X_Y
+ 1676  1679  1678  1682     1    improper_O_C_X_Y
+ 1678  1680  1679  1681     1    improper_Z_N_X_Y
+ 1678  1683  1682  1684     1    improper_Z_N_X_Y
+ 1685  1689  1687  1688     1    improper_Z_N_X_Y
+ 1689  1701  1699  1700     1    improper_O_C_X_Y
+ 1691  1696  1694  1695     1    improper_O_C_X_Y
+ 1694  1697  1696  1698     1    improper_Z_N_X_Y
+ 1699  1703  1701  1702     1    improper_Z_N_X_Y
+ 1703  1725  1723  1724     1    improper_O_C_X_Y
+ 1711  1716  1714  1715     1    improper_Z_N_X_Y
+ 1714  1717  1716  1720     1    improper_O_C_X_Y
+ 1716  1718  1717  1719     1    improper_Z_N_X_Y
+ 1716  1721  1720  1722     1    improper_Z_N_X_Y
+ 1723  1727  1725  1726     1    improper_Z_N_X_Y
+ 1727  1735  1733  1734     1    improper_O_C_X_Y
+ 1733  1737  1735  1736     1    improper_Z_N_X_Y
+ 1737  1757  1755  1756     1    improper_O_C_X_Y
+ 1755  1759  1757  1758     1    improper_Z_N_X_Y
+ 1759  1764  1762  1763     1    improper_O_C_X_Y
+ 1762  1766  1764  1765     1    improper_Z_N_X_Y
+ 1766  1778  1776  1777     1    improper_O_C_X_Y
+ 1776  1780  1778  1779     1    improper_Z_N_X_Y
+ 1780  1790  1788  1789     1    improper_O_C_X_Y
+ 1782  1786  1785  1787     1    improper_O_C_X_Y
+ 1788  1792  1790  1791     1    improper_Z_N_X_Y
+ 1792  1806  1804  1805     1    improper_O_C_X_Y
+ 1804  1808  1806  1807     1    improper_Z_N_X_Y
+ 1808  1823  1821  1822     1    improper_O_C_X_Y
+ 1813  1818  1816  1817     1    improper_O_C_X_Y
+ 1816  1819  1818  1820     1    improper_Z_N_X_Y
+ 1821  1825  1823  1824     1    improper_Z_N_X_Y
+ 1825  1833  1831  1832     1    improper_O_C_X_Y
+ 1831  1835  1833  1834     1    improper_Z_N_X_Y
+ 1835  1857  1855  1856     1    improper_O_C_X_Y
+ 1837  1840  1843  1841     1    improper_Z_CA_X_Y
+ 1840  1844  1841  1842     1    improper_Z_CA_X_Y
+ 1841  1846  1844  1845     1    improper_Z_N_X_Y
+ 1846  1853  1849  1850     1    improper_Z_CA_X_Y
+ 1848  1847  1843  1851     1    improper_Z_CA_X_Y
+ 1849  1851  1853  1854     1    improper_Z_CA_X_Y
+ 1852  1851  1847  1853     1    improper_Z_CA_X_Y
+ 1855  1859  1857  1858     1    improper_Z_N_X_Y
+ 1859  1876  1874  1875     1    improper_O_C_X_Y
+ 1874  1878  1876  1877     1    improper_Z_N_X_Y
+ 1878  1900  1898  1899     1    improper_O_C_X_Y
+ 1886  1891  1889  1890     1    improper_Z_N_X_Y
+ 1889  1892  1891  1895     1    improper_O_C_X_Y
+ 1891  1893  1892  1894     1    improper_Z_N_X_Y
+ 1891  1896  1895  1897     1    improper_Z_N_X_Y
+ 1898  1902  1900  1901     1    improper_Z_N_X_Y
+ 1902  1907  1905  1906     1    improper_O_C_X_Y
+ 1905  1909  1907  1908     1    improper_Z_N_X_Y
+ 1909  1917  1915  1916     1    improper_O_C_X_Y
+ 1915  1919  1917  1918     1    improper_Z_N_X_Y
+ 1919  1941  1939  1940     1    improper_O_C_X_Y
+ 1927  1932  1930  1931     1    improper_Z_N_X_Y
+ 1930  1933  1932  1936     1    improper_O_C_X_Y
+ 1932  1934  1933  1935     1    improper_Z_N_X_Y
+ 1932  1937  1936  1938     1    improper_Z_N_X_Y
+ 1939  1943  1941  1942     1    improper_Z_N_X_Y
+ 1943  1959  1958  1960     1    improper_O_C_X_Y
+
+; Include Position restraint file
+#ifdef POSRES
+#include "posres.itp"
+#endif
+
+; Include water topology
+#include "oplsaa.ff/spce.itp"
+
+#ifdef POSRES_WATER
+; Position restraint for each water oxygen
+[ position_restraints ]
+;  i funct       fcx        fcy        fcz
+   1    1       1000       1000       1000
+#endif
+
+; Include topology for ions
+#include "oplsaa.ff/ions.itp"
+
+[ system ]
+; Name
+LYSOZYME in water
+
+[ molecules ]
+; Compound        #mols
+Protein_chain_A     1
+SOL                78
+SOL         12058
+CL               8