view test-data/test.pdb @ 2:a26c4750c7c7 draft default tip

"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit dbada20e7b5a09c8b5335df0acd427f424f6c6b9"
author chemteam
date Tue, 30 Nov 2021 09:55:21 +0000
parents f4a1e92ca3d2
children
line wrap: on
line source

REMARK  DIHEDRAL 6 0 7 11 $FC  60.0                                                   
REMARK  DIHEDRAL 0 7 11 15 $FC -60.0                                                  
REMARK  DIHEDRAL 7 11 15 4 $FC  60.0                                                  
REMARK  DIHEDRAL 11 15 4 6 $FC -60.0                                                  
REMARK  DIHEDRAL 15 4 6 0 $FC  60.0                                                   
REMARK  DIHEDRAL 4 6 0 7 $FC -60.0                                                    
REMARK   DATE:    10/24/19      2:43:11      CREATED BY USER: apache                  
ATOM      1  C1  BGLC    1      -0.782   1.463   0.380  1.00  1.00      CARB
ATOM      2  H1  BGLC    1      -0.775   1.400   1.492  1.00  0.00      CARB
ATOM      3  O1  BGLC    1      -1.337   2.710   0.046  1.00  0.50      CARB
ATOM      4  HO1 BGLC    1      -1.260   2.812  -0.905  1.00  0.00      CARB
ATOM      5  C5  BGLC    1       1.162   0.073   0.328  1.00  1.00      CARB
ATOM      6  H5  BGLC    1       1.149   0.033   1.445  1.00  0.00      CARB
ATOM      7  O5  BGLC    1       0.554   1.297  -0.113  1.00  1.00      CARB
ATOM      8  C2  BGLC    1      -1.643   0.339  -0.171  1.00  1.00      CARB
ATOM      9  H2  BGLC    1      -1.610   0.391  -1.286  1.00  0.00      CARB
ATOM     10  O2  BGLC    1      -3.001   0.466   0.233  1.00  0.50      CARB
ATOM     11  HO2 BGLC    1      -3.560   0.732  -0.506  1.00  0.00      CARB
ATOM     12  C3  BGLC    1      -1.070  -0.995   0.256  1.00  1.00      CARB
ATOM     13  H3  BGLC    1      -1.072  -1.034   1.374  1.00  0.00      CARB
ATOM     14  O3  BGLC    1      -1.854  -2.081  -0.221  1.00  0.50      CARB
ATOM     15  HO3 BGLC    1      -2.383  -2.412   0.516  1.00  0.00      CARB
ATOM     16  C4  BGLC    1       0.358  -1.094  -0.224  1.00  1.00      CARB
ATOM     17  H4  BGLC    1       0.373  -1.035  -1.339  1.00  0.00      CARB
ATOM     18  O4  BGLC    1       0.954  -2.322   0.160  1.00  0.50      CARB
ATOM     19  HO4 BGLC    1       0.664  -2.977  -0.495  1.00  0.00      CARB
ATOM     20  C6  BGLC    1       2.604   0.083  -0.133  1.00  1.00      CARB
ATOM     21  H61 BGLC    1       3.112  -0.856   0.180  1.00  0.00      CARB
ATOM     22  H62 BGLC    1       2.647   0.136  -1.245  1.00  0.00      CARB
ATOM     23  O6  BGLC    1       3.319   1.187   0.412  1.00  0.50      CARB
ATOM     24  HO6 BGLC    1       2.952   1.993   0.021  1.00  0.00      CARB
ATOM     25  OH2 TIP3    1      -1.328  -3.419  -6.761  1.00  0.00      SOLV
ATOM     26  H1  TIP3    1      -1.476  -2.452  -6.760  1.00  0.00      SOLV
ATOM     27  H2  TIP3    1      -2.081  -3.717  -7.300  1.00  0.00      SOLV
ATOM     28  OH2 TIP3    2      -2.751  -4.194  -2.655  1.00  0.00      SOLV
ATOM     29  H1  TIP3    2      -2.410  -4.676  -1.878  1.00  0.00      SOLV
ATOM     30  H2  TIP3    2      -3.191  -4.916  -3.149  1.00  0.00      SOLV
ATOM     31  OH2 TIP3    3     -10.493  -4.811  -1.639  1.00  0.00      SOLV
ATOM     32  H1  TIP3    3     -10.464  -5.550  -1.006  1.00  0.00      SOLV
ATOM     33  H2  TIP3    3      -9.554  -4.703  -1.869  1.00  0.00      SOLV
ATOM     34  OH2 TIP3    4       0.924  -1.390  -4.659  1.00  0.00      SOLV
ATOM     35  H1  TIP3    4       0.549  -2.192  -4.247  1.00  0.00      SOLV
ATOM     36  H2  TIP3    4       1.486  -1.067  -3.955  1.00  0.00      SOLV
ATOM     37  OH2 TIP3    5      -9.421   0.213  -3.466  1.00  0.00      SOLV
ATOM     38  H1  TIP3    5      -9.600  -0.715  -3.737  1.00  0.00      SOLV
ATOM     39  H2  TIP3    5      -8.730   0.063  -2.806  1.00  0.00      SOLV
ATOM     40  OH2 TIP3    6     -13.015  -6.771  -7.637  1.00  0.00      SOLV
ATOM     41  H1  TIP3    6     -12.753  -5.927  -7.249  1.00  0.00      SOLV
ATOM     42  H2  TIP3    6     -13.837  -6.959  -7.155  1.00  0.00      SOLV
ATOM     43  OH2 TIP3    7     -11.908  -4.446  -5.293  1.00  0.00      SOLV
ATOM     44  H1  TIP3    7     -11.483  -5.300  -5.075  1.00  0.00      SOLV
ATOM     45  H2  TIP3    7     -11.161  -3.835  -5.322  1.00  0.00      SOLV
ATOM     46  OH2 TIP3    8      -1.850   4.034  -4.410  1.00  0.00      SOLV
ATOM     47  H1  TIP3    8      -1.485   3.263  -4.889  1.00  0.00      SOLV
ATOM     48  H2  TIP3    8      -2.319   3.641  -3.665  1.00  0.00      SOLV
ATOM     49  OH2 TIP3    9      -3.889  -1.683  -2.187  1.00  0.00      SOLV
ATOM     50  H1  TIP3    9      -3.574  -2.521  -2.585  1.00  0.00      SOLV
ATOM     51  H2  TIP3    9      -3.180  -1.565  -1.530  1.00  0.00      SOLV
ATOM     52  OH2 TIP3   10       4.717 -10.280  -1.662  1.00  0.00      SOLV
ATOM     53  H1  TIP3   10       4.865  -9.558  -1.020  1.00  0.00      SOLV
ATOM     54  H2  TIP3   10       5.323 -10.024  -2.384  1.00  0.00      SOLV
ATOM     55  OH2 TIP3   11      -1.084  -7.429  -2.536  1.00  0.00      SOLV
ATOM     56  H1  TIP3   11      -0.997  -8.398  -2.394  1.00  0.00      SOLV
ATOM     57  H2  TIP3   11      -1.311  -7.418  -3.486  1.00  0.00      SOLV
ATOM     58  OH2 TIP3   12      -7.587  -9.418  -5.123  1.00  0.00      SOLV
ATOM     59  H1  TIP3   12      -7.565  -8.554  -5.584  1.00  0.00      SOLV
ATOM     60  H2  TIP3   12      -8.016  -9.970  -5.806  1.00  0.00      SOLV
ATOM     61  OH2 TIP3   13       0.096  -9.008  -6.840  1.00  0.00      SOLV
ATOM     62  H1  TIP3   13       0.581  -9.248  -6.011  1.00  0.00      SOLV
ATOM     63  H2  TIP3   13       0.815  -8.572  -7.338  1.00  0.00      SOLV
ATOM     64  OH2 TIP3   14     -10.874  -6.888  -4.623  1.00  0.00      SOLV
ATOM     65  H1  TIP3   14     -10.349  -7.478  -4.047  1.00  0.00      SOLV
ATOM     66  H2  TIP3   14     -10.752  -7.324  -5.494  1.00  0.00      SOLV
ATOM     67  OH2 TIP3   15      -6.499  -5.457  -4.649  1.00  0.00      SOLV
ATOM     68  H1  TIP3   15      -5.605  -5.788  -4.420  1.00  0.00      SOLV
ATOM     69  H2  TIP3   15      -6.824  -6.152  -5.261  1.00  0.00      SOLV
ATOM     70  OH2 TIP3   16       4.984  -8.526   0.548  1.00  0.00      SOLV
ATOM     71  H1  TIP3   16       4.220  -7.958   0.308  1.00  0.00      SOLV
ATOM     72  H2  TIP3   16       5.050  -8.342   1.500  1.00  0.00      SOLV
ATOM     73  OH2 TIP3   17      -9.153 -10.247  -0.869  1.00  0.00      SOLV
ATOM     74  H1  TIP3   17      -9.474  -9.719  -1.624  1.00  0.00      SOLV
ATOM     75  H2  TIP3   17      -9.815 -10.024  -0.182  1.00  0.00      SOLV
ATOM     76  OH2 TIP3   18      -1.832  -0.805  -7.507  1.00  0.00      SOLV
ATOM     77  H1  TIP3   18      -2.073  -0.871  -8.455  1.00  0.00      SOLV
ATOM     78  H2  TIP3   18      -2.333  -0.006  -7.249  1.00  0.00      SOLV
ATOM     79  OH2 TIP3   19      -6.390  -2.509  -1.253  1.00  0.00      SOLV
ATOM     80  H1  TIP3   19      -6.948  -1.775  -0.908  1.00  0.00      SOLV
ATOM     81  H2  TIP3   19      -5.595  -2.024  -1.560  1.00  0.00      SOLV
ATOM     82  OH2 TIP3   20       1.435  -9.457  -4.594  1.00  0.00      SOLV
ATOM     83  H1  TIP3   20       1.441 -10.309  -4.112  1.00  0.00      SOLV
ATOM     84  H2  TIP3   20       1.838  -8.864  -3.929  1.00  0.00      SOLV
ATOM     85  OH2 TIP3   21      -9.357  -8.696  -3.163  1.00  0.00      SOLV
ATOM     86  H1  TIP3   21      -8.769  -8.111  -2.635  1.00  0.00      SOLV
ATOM     87  H2  TIP3   21      -8.709  -9.057  -3.811  1.00  0.00      SOLV
ATOM     88  OH2 TIP3   22      -8.007  -0.437  -0.325  1.00  0.00      SOLV
ATOM     89  H1  TIP3   22      -7.920   0.536  -0.247  1.00  0.00      SOLV
ATOM     90  H2  TIP3   22      -8.922  -0.550   0.002  1.00  0.00      SOLV
ATOM     91  OH2 TIP3   23     -11.441  -1.187  -9.053  1.00  0.00      SOLV
ATOM     92  H1  TIP3   23     -11.791  -0.694  -9.819  1.00  0.00      SOLV
ATOM     93  H2  TIP3   23     -11.912  -0.790  -8.311  1.00  0.00      SOLV
ATOM     94  OH2 TIP3   24       2.237 -10.976  -0.624  1.00  0.00      SOLV
ATOM     95  H1  TIP3   24       1.569 -11.044  -1.327  1.00  0.00      SOLV
ATOM     96  H2  TIP3   24       3.030 -10.770  -1.165  1.00  0.00      SOLV
ATOM     97  OH2 TIP3   25      -5.503 -12.769  -4.226  1.00  0.00      SOLV
ATOM     98  H1  TIP3   25      -5.181 -13.687  -4.069  1.00  0.00      SOLV
ATOM     99  H2  TIP3   25      -6.265 -12.722  -3.627  1.00  0.00      SOLV
ATOM    100  OH2 TIP3   26      -0.477   2.432  -6.311  1.00  0.00      SOLV
ATOM    101  H1  TIP3   26      -0.049   1.565  -6.505  1.00  0.00      SOLV
ATOM    102  H2  TIP3   26       0.335   2.985  -6.219  1.00  0.00      SOLV
ATOM    103  OH2 TIP3   27       0.766   0.103  -6.960  1.00  0.00      SOLV
ATOM    104  H1  TIP3   27       0.020  -0.373  -7.359  1.00  0.00      SOLV
ATOM    105  H2  TIP3   27       0.929  -0.449  -6.165  1.00  0.00      SOLV
ATOM    106  OH2 TIP3   28      -2.945  -4.224  -8.912  1.00  0.00      SOLV
ATOM    107  H1  TIP3   28      -3.634  -3.572  -9.158  1.00  0.00      SOLV
ATOM    108  H2  TIP3   28      -2.366  -4.202  -9.692  1.00  0.00      SOLV
ATOM    109  OH2 TIP3   29      -2.911  -5.817 -12.225  1.00  0.00      SOLV
ATOM    110  H1  TIP3   29      -2.192  -5.518 -11.641  1.00  0.00      SOLV
ATOM    111  H2  TIP3   29      -2.434  -6.106 -13.009  1.00  0.00      SOLV
ATOM    112  OH2 TIP3   30       4.083  -4.413  -0.627  1.00  0.00      SOLV
ATOM    113  H1  TIP3   30       3.580  -3.592  -0.698  1.00  0.00      SOLV
ATOM    114  H2  TIP3   30       4.711  -4.302  -1.375  1.00  0.00      SOLV
ATOM    115  OH2 TIP3   31       0.711  -4.038  -8.452  1.00  0.00      SOLV
ATOM    116  H1  TIP3   31       0.026  -3.809  -7.779  1.00  0.00      SOLV
ATOM    117  H2  TIP3   31       1.373  -4.466  -7.874  1.00  0.00      SOLV
ATOM    118  OH2 TIP3   32       0.312  -5.962   1.348  1.00  0.00      SOLV
ATOM    119  H1  TIP3   32       0.288  -5.151   1.900  1.00  0.00      SOLV
ATOM    120  H2  TIP3   32      -0.376  -5.746   0.678  1.00  0.00      SOLV
ATOM    121  OH2 TIP3   33      -7.884  -3.548  -6.107  1.00  0.00      SOLV
ATOM    122  H1  TIP3   33      -8.126  -3.979  -6.959  1.00  0.00      SOLV
ATOM    123  H2  TIP3   33      -7.345  -4.242  -5.674  1.00  0.00      SOLV
ATOM    124  OH2 TIP3   34      -6.178   0.318  -3.586  1.00  0.00      SOLV
ATOM    125  H1  TIP3   34      -6.452   0.202  -4.513  1.00  0.00      SOLV
ATOM    126  H2  TIP3   34      -5.500  -0.364  -3.466  1.00  0.00      SOLV
ATOM    127  OH2 TIP3   35      -7.894  -4.467  -2.468  1.00  0.00      SOLV
ATOM    128  H1  TIP3   35      -7.349  -4.726  -3.245  1.00  0.00      SOLV
ATOM    129  H2  TIP3   35      -7.328  -3.782  -2.044  1.00  0.00      SOLV
ATOM    130  OH2 TIP3   36      -6.691  -0.819   2.255  1.00  0.00      SOLV
ATOM    131  H1  TIP3   36      -7.198  -0.063   2.619  1.00  0.00      SOLV
ATOM    132  H2  TIP3   36      -6.992  -0.799   1.336  1.00  0.00      SOLV
ATOM    133  OH2 TIP3   37      -0.684  -4.942 -10.620  1.00  0.00      SOLV
ATOM    134  H1  TIP3   37      -0.159  -4.560  -9.877  1.00  0.00      SOLV
ATOM    135  H2  TIP3   37      -0.228  -4.533 -11.391  1.00  0.00      SOLV
ATOM    136  OH2 TIP3   38      -9.779  -4.332   1.770  1.00  0.00      SOLV
ATOM    137  H1  TIP3   38      -9.642  -3.459   2.197  1.00  0.00      SOLV
ATOM    138  H2  TIP3   38     -10.720  -4.260   1.543  1.00  0.00      SOLV
ATOM    139  OH2 TIP3   39      -3.076   1.691  -7.126  1.00  0.00      SOLV
ATOM    140  H1  TIP3   39      -2.259   2.134  -6.833  1.00  0.00      SOLV
ATOM    141  H2  TIP3   39      -3.255   2.132  -7.972  1.00  0.00      SOLV
ATOM    142  OH2 TIP3   40      -8.528   1.210   2.646  1.00  0.00      SOLV
ATOM    143  H1  TIP3   40      -8.423   1.755   1.846  1.00  0.00      SOLV
ATOM    144  H2  TIP3   40      -9.377   1.504   3.012  1.00  0.00      SOLV
ATOM    145  OH2 TIP3   41       3.228 -12.753 -10.054  1.00  0.00      SOLV
ATOM    146  H1  TIP3   41       2.262 -12.697 -10.170  1.00  0.00      SOLV
ATOM    147  H2  TIP3   41       3.552 -12.006 -10.608  1.00  0.00      SOLV
ATOM    148  OH2 TIP3   42      -8.570  -4.535  -8.626  1.00  0.00      SOLV
ATOM    149  H1  TIP3   42      -9.110  -3.940  -9.192  1.00  0.00      SOLV
ATOM    150  H2  TIP3   42      -8.902  -5.397  -8.897  1.00  0.00      SOLV
ATOM    151  OH2 TIP3   43       4.314   1.489 -11.915  1.00  0.00      SOLV
ATOM    152  H1  TIP3   43       4.527   2.417 -12.122  1.00  0.00      SOLV
ATOM    153  H2  TIP3   43       5.188   1.057 -11.958  1.00  0.00      SOLV
ATOM    154  OH2 TIP3   44     -12.531  -2.276   0.310  1.00  0.00      SOLV
ATOM    155  H1  TIP3   44     -13.147  -2.459  -0.423  1.00  0.00      SOLV
ATOM    156  H2  TIP3   44     -12.616  -3.093   0.834  1.00  0.00      SOLV
ATOM    157  OH2 TIP3   45     -12.646   0.944  -2.748  1.00  0.00      SOLV
ATOM    158  H1  TIP3   45     -11.866   0.618  -3.218  1.00  0.00      SOLV
ATOM    159  H2  TIP3   45     -12.239   1.258  -1.914  1.00  0.00      SOLV
ATOM    160  OH2 TIP3   46       5.450   2.115   3.280  1.00  0.00      SOLV
ATOM    161  H1  TIP3   46       5.227   1.668   2.456  1.00  0.00      SOLV
ATOM    162  H2  TIP3   46       4.545   2.243   3.644  1.00  0.00      SOLV
ATOM    163  OH2 TIP3   47      -3.312   4.488  -8.546  1.00  0.00      SOLV
ATOM    164  H1  TIP3   47      -3.364   4.544  -9.524  1.00  0.00      SOLV
ATOM    165  H2  TIP3   47      -3.592   5.381  -8.279  1.00  0.00      SOLV
ATOM    166  OH2 TIP3   48      -9.515   4.326  -6.393  1.00  0.00      SOLV
ATOM    167  H1  TIP3   48      -9.370   3.886  -5.525  1.00  0.00      SOLV
ATOM    168  H2  TIP3   48     -10.035   3.607  -6.828  1.00  0.00      SOLV
ATOM    169  OH2 TIP3   49      -0.595   4.197 -11.437  1.00  0.00      SOLV
ATOM    170  H1  TIP3   49      -0.035   3.479 -11.803  1.00  0.00      SOLV
ATOM    171  H2  TIP3   49      -0.423   4.090 -10.484  1.00  0.00      SOLV
ATOM    172  OH2 TIP3   50      -0.581   4.123  -8.680  1.00  0.00      SOLV
ATOM    173  H1  TIP3   50      -1.552   4.186  -8.568  1.00  0.00      SOLV
ATOM    174  H2  TIP3   50      -0.349   3.489  -7.980  1.00  0.00      SOLV
ATOM    175  OH2 TIP3   51       2.142  -7.087   3.307  1.00  0.00      SOLV
ATOM    176  H1  TIP3   51       1.497  -6.702   2.688  1.00  0.00      SOLV
ATOM    177  H2  TIP3   51       2.148  -8.023   3.028  1.00  0.00      SOLV
ATOM    178  OH2 TIP3   52     -10.582  -0.413   0.780  1.00  0.00      SOLV
ATOM    179  H1  TIP3   52     -10.251  -0.793   1.620  1.00  0.00      SOLV
ATOM    180  H2  TIP3   52     -11.294  -1.062   0.564  1.00  0.00      SOLV
ATOM    181  OH2 TIP3   53      -8.006 -12.380  -2.307  1.00  0.00      SOLV
ATOM    182  H1  TIP3   53      -8.708 -12.430  -2.996  1.00  0.00      SOLV
ATOM    183  H2  TIP3   53      -8.353 -11.637  -1.777  1.00  0.00      SOLV
ATOM    184  OH2 TIP3   54      -3.544 -12.178   1.720  1.00  0.00      SOLV
ATOM    185  H1  TIP3   54      -3.345 -13.005   2.212  1.00  0.00      SOLV
ATOM    186  H2  TIP3   54      -4.273 -12.471   1.141  1.00  0.00      SOLV
ATOM    187  OH2 TIP3   55      -0.360  -8.669   1.494  1.00  0.00      SOLV
ATOM    188  H1  TIP3   55      -0.930  -8.771   2.292  1.00  0.00      SOLV
ATOM    189  H2  TIP3   55      -0.252  -7.699   1.436  1.00  0.00      SOLV
ATOM    190  OH2 TIP3   56       0.463  -3.875 -12.885  1.00  0.00      SOLV
ATOM    191  H1  TIP3   56      -0.197  -3.608 -13.564  1.00  0.00      SOLV
ATOM    192  H2  TIP3   56       0.817  -2.994 -12.653  1.00  0.00      SOLV
ATOM    193  OH2 TIP3   57      -3.394 -10.169 -11.891  1.00  0.00      SOLV
ATOM    194  H1  TIP3   57      -3.910 -10.419 -11.101  1.00  0.00      SOLV
ATOM    195  H2  TIP3   57      -4.117  -9.901 -12.476  1.00  0.00      SOLV
ATOM    196  OH2 TIP3   58      -7.901  -7.051  -1.494  1.00  0.00      SOLV
ATOM    197  H1  TIP3   58      -8.588  -7.016  -0.793  1.00  0.00      SOLV
ATOM    198  H2  TIP3   58      -7.888  -6.118  -1.792  1.00  0.00      SOLV
ATOM    199  OH2 TIP3   59      -7.853  -7.075  -6.478  1.00  0.00      SOLV
ATOM    200  H1  TIP3   59      -8.820  -7.140  -6.591  1.00  0.00      SOLV
ATOM    201  H2  TIP3   59      -7.573  -7.329  -7.385  1.00  0.00      SOLV
ATOM    202  OH2 TIP3   60      -2.427  -6.706  -7.842  1.00  0.00      SOLV
ATOM    203  H1  TIP3   60      -2.647  -5.802  -8.163  1.00  0.00      SOLV
ATOM    204  H2  TIP3   60      -1.761  -6.988  -8.494  1.00  0.00      SOLV
ATOM    205  OH2 TIP3   61      -3.118  -6.595   3.165  1.00  0.00      SOLV
ATOM    206  H1  TIP3   61      -3.582  -7.348   3.591  1.00  0.00      SOLV
ATOM    207  H2  TIP3   61      -2.298  -6.575   3.698  1.00  0.00      SOLV
ATOM    208  OH2 TIP3   62      -1.487  -7.349  -5.265  1.00  0.00      SOLV
ATOM    209  H1  TIP3   62      -1.911  -6.937  -6.046  1.00  0.00      SOLV
ATOM    210  H2  TIP3   62      -0.999  -8.062  -5.723  1.00  0.00      SOLV
ATOM    211  OH2 TIP3   63     -10.067  -6.964   0.186  1.00  0.00      SOLV
ATOM    212  H1  TIP3   63     -10.015  -6.466   1.015  1.00  0.00      SOLV
ATOM    213  H2  TIP3   63     -10.428  -7.822   0.495  1.00  0.00      SOLV
ATOM    214  OH2 TIP3   64      -6.091  -9.162 -13.233  1.00  0.00      SOLV
ATOM    215  H1  TIP3   64      -6.609  -9.579 -12.519  1.00  0.00      SOLV
ATOM    216  H2  TIP3   64      -6.739  -8.534 -13.595  1.00  0.00      SOLV
ATOM    217  OH2 TIP3   65     -12.976 -10.182  -6.325  1.00  0.00      SOLV
ATOM    218  H1  TIP3   65     -12.615 -10.199  -5.410  1.00  0.00      SOLV
ATOM    219  H2  TIP3   65     -12.393  -9.509  -6.697  1.00  0.00      SOLV
ATOM    220  OH2 TIP3   66     -12.428  -8.755 -10.567  1.00  0.00      SOLV
ATOM    221  H1  TIP3   66     -11.671  -8.268 -10.946  1.00  0.00      SOLV
ATOM    222  H2  TIP3   66     -13.038  -8.708 -11.314  1.00  0.00      SOLV
ATOM    223  OH2 TIP3   67      -1.733  -5.756  -0.528  1.00  0.00      SOLV
ATOM    224  H1  TIP3   67      -1.391  -6.347  -1.243  1.00  0.00      SOLV
ATOM    225  H2  TIP3   67      -2.424  -6.337  -0.146  1.00  0.00      SOLV
ATOM    226  OH2 TIP3   68      -4.765  -9.255  -5.581  1.00  0.00      SOLV
ATOM    227  H1  TIP3   68      -5.671  -9.490  -5.305  1.00  0.00      SOLV
ATOM    228  H2  TIP3   68      -4.225  -9.797  -4.972  1.00  0.00      SOLV
ATOM    229  OH2 TIP3   69     -10.426  -8.001  -7.084  1.00  0.00      SOLV
ATOM    230  H1  TIP3   69     -11.083  -7.780  -7.770  1.00  0.00      SOLV
ATOM    231  H2  TIP3   69     -10.059  -8.861  -7.379  1.00  0.00      SOLV
ATOM    232  OH2 TIP3   70      -7.271  -7.935  -8.997  1.00  0.00      SOLV
ATOM    233  H1  TIP3   70      -6.300  -7.935  -8.861  1.00  0.00      SOLV
ATOM    234  H2  TIP3   70      -7.381  -7.396  -9.815  1.00  0.00      SOLV
ATOM    235  OH2 TIP3   71      -1.302 -10.125  -2.282  1.00  0.00      SOLV
ATOM    236  H1  TIP3   71      -1.799 -10.174  -1.443  1.00  0.00      SOLV
ATOM    237  H2  TIP3   71      -1.925 -10.520  -2.917  1.00  0.00      SOLV
ATOM    238  OH2 TIP3   72      -7.853  -6.612 -11.276  1.00  0.00      SOLV
ATOM    239  H1  TIP3   72      -8.591  -6.811 -11.869  1.00  0.00      SOLV
ATOM    240  H2  TIP3   72      -7.147  -6.336 -11.897  1.00  0.00      SOLV
ATOM    241  OH2 TIP3   73       2.636   5.209   4.067  1.00  0.00      SOLV
ATOM    242  H1  TIP3   73       2.914   5.637   3.239  1.00  0.00      SOLV
ATOM    243  H2  TIP3   73       3.357   5.459   4.674  1.00  0.00      SOLV
ATOM    244  OH2 TIP3   74      -9.751  -1.890   3.126  1.00  0.00      SOLV
ATOM    245  H1  TIP3   74      -8.965  -1.753   3.684  1.00  0.00      SOLV
ATOM    246  H2  TIP3   74     -10.462  -1.806   3.791  1.00  0.00      SOLV
ATOM    247  OH2 TIP3   75      -4.068  -6.488  -3.645  1.00  0.00      SOLV
ATOM    248  H1  TIP3   75      -3.518  -7.086  -4.176  1.00  0.00      SOLV
ATOM    249  H2  TIP3   75      -4.410  -7.097  -2.955  1.00  0.00      SOLV
ATOM    250  OH2 TIP3   76      -9.110 -10.499  -7.261  1.00  0.00      SOLV
ATOM    251  H1  TIP3   76      -9.696 -11.277  -7.164  1.00  0.00      SOLV
ATOM    252  H2  TIP3   76      -8.293 -10.916  -7.578  1.00  0.00      SOLV
ATOM    253  OH2 TIP3   77      -5.283  -7.935  -1.604  1.00  0.00      SOLV
ATOM    254  H1  TIP3   77      -6.138  -7.473  -1.484  1.00  0.00      SOLV
ATOM    255  H2  TIP3   77      -4.766  -7.666  -0.815  1.00  0.00      SOLV
ATOM    256  OH2 TIP3   78      -4.870  -2.301  -9.572  1.00  0.00      SOLV
ATOM    257  H1  TIP3   78      -5.568  -2.768 -10.084  1.00  0.00      SOLV
ATOM    258  H2  TIP3   78      -5.353  -2.109  -8.733  1.00  0.00      SOLV
ATOM    259  OH2 TIP3   79      -0.709  -9.540 -11.746  1.00  0.00      SOLV
ATOM    260  H1  TIP3   79      -1.656  -9.783 -11.859  1.00  0.00      SOLV
ATOM    261  H2  TIP3   79      -0.767  -8.795 -11.119  1.00  0.00      SOLV
ATOM    262  OH2 TIP3   80      -0.455  -7.576  -9.771  1.00  0.00      SOLV
ATOM    263  H1  TIP3   80       0.431  -7.633  -9.366  1.00  0.00      SOLV
ATOM    264  H2  TIP3   80      -0.437  -6.678 -10.165  1.00  0.00      SOLV
ATOM    265  OH2 TIP3   81      -9.409  -2.506  -4.064  1.00  0.00      SOLV
ATOM    266  H1  TIP3   81      -8.906  -2.789  -4.856  1.00  0.00      SOLV
ATOM    267  H2  TIP3   81      -9.106  -3.153  -3.409  1.00  0.00      SOLV
ATOM    268  OH2 TIP3   82      -2.715  -0.821 -10.086  1.00  0.00      SOLV
ATOM    269  H1  TIP3   82      -3.057   0.101 -10.057  1.00  0.00      SOLV
ATOM    270  H2  TIP3   82      -3.542  -1.339  -9.964  1.00  0.00      SOLV
ATOM    271  OH2 TIP3   83     -12.718  -4.503   1.983  1.00  0.00      SOLV
ATOM    272  H1  TIP3   83     -12.360  -4.876   2.816  1.00  0.00      SOLV
ATOM    273  H2  TIP3   83     -13.470  -5.102   1.794  1.00  0.00      SOLV
ATOM    274  OH2 TIP3   84      -5.227  -4.869   3.526  1.00  0.00      SOLV
ATOM    275  H1  TIP3   84      -5.820  -5.113   2.798  1.00  0.00      SOLV
ATOM    276  H2  TIP3   84      -4.423  -5.385   3.309  1.00  0.00      SOLV
ATOM    277  OH2 TIP3   85       4.344  -6.984  -9.928  1.00  0.00      SOLV
ATOM    278  H1  TIP3   85       3.983  -7.202 -10.823  1.00  0.00      SOLV
ATOM    279  H2  TIP3   85       4.539  -6.036 -10.097  1.00  0.00      SOLV
ATOM    280  OH2 TIP3   86       4.662  -1.369   2.694  1.00  0.00      SOLV
ATOM    281  H1  TIP3   86       4.032  -0.647   2.569  1.00  0.00      SOLV
ATOM    282  H2  TIP3   86       5.141  -1.387   1.836  1.00  0.00      SOLV
ATOM    283  OH2 TIP3   87       3.201   1.637  -9.403  1.00  0.00      SOLV
ATOM    284  H1  TIP3   87       2.533   0.963  -9.227  1.00  0.00      SOLV
ATOM    285  H2  TIP3   87       3.442   1.456 -10.336  1.00  0.00      SOLV
ATOM    286  OH2 TIP3   88       0.151  -3.451  -2.917  1.00  0.00      SOLV
ATOM    287  H1  TIP3   88      -0.811  -3.587  -2.878  1.00  0.00      SOLV
ATOM    288  H2  TIP3   88       0.444  -4.252  -3.397  1.00  0.00      SOLV
ATOM    289  OH2 TIP3   89      -7.178   0.608  -6.301  1.00  0.00      SOLV
ATOM    290  H1  TIP3   89      -6.898   0.851  -7.195  1.00  0.00      SOLV
ATOM    291  H2  TIP3   89      -8.136   0.521  -6.399  1.00  0.00      SOLV
ATOM    292  OH2 TIP3   90     -11.945  -4.474 -11.813  1.00  0.00      SOLV
ATOM    293  H1  TIP3   90     -11.270  -4.000 -11.279  1.00  0.00      SOLV
ATOM    294  H2  TIP3   90     -12.773  -4.137 -11.427  1.00  0.00      SOLV
ATOM    295  OH2 TIP3   91      -6.258  -1.752  -7.358  1.00  0.00      SOLV
ATOM    296  H1  TIP3   91      -6.439  -1.001  -6.773  1.00  0.00      SOLV
ATOM    297  H2  TIP3   91      -6.828  -2.437  -6.953  1.00  0.00      SOLV
ATOM    298  OH2 TIP3   92      -5.058   2.675  -0.460  1.00  0.00      SOLV
ATOM    299  H1  TIP3   92      -4.415   3.314  -0.835  1.00  0.00      SOLV
ATOM    300  H2  TIP3   92      -4.651   2.495   0.404  1.00  0.00      SOLV
ATOM    301  OH2 TIP3   93      -6.875   3.389  -7.313  1.00  0.00      SOLV
ATOM    302  H1  TIP3   93      -7.435   2.958  -6.647  1.00  0.00      SOLV
ATOM    303  H2  TIP3   93      -5.996   3.276  -6.920  1.00  0.00      SOLV
ATOM    304  OH2 TIP3   94       0.801  -1.107 -12.390  1.00  0.00      SOLV
ATOM    305  H1  TIP3   94       1.040  -1.172 -11.435  1.00  0.00      SOLV
ATOM    306  H2  TIP3   94      -0.155  -0.885 -12.345  1.00  0.00      SOLV
ATOM    307  OH2 TIP3   95       5.046   4.178 -11.996  1.00  0.00      SOLV
ATOM    308  H1  TIP3   95       5.678   4.839 -11.647  1.00  0.00      SOLV
ATOM    309  H2  TIP3   95       4.215   4.561 -11.638  1.00  0.00      SOLV
ATOM    310  OH2 TIP3   96     -10.896  -9.434   1.236  1.00  0.00      SOLV
ATOM    311  H1  TIP3   96     -11.681  -9.100   1.725  1.00  0.00      SOLV
ATOM    312  H2  TIP3   96     -10.718 -10.241   1.752  1.00  0.00      SOLV
ATOM    313  OH2 TIP3   97       1.641  -1.802  -9.937  1.00  0.00      SOLV
ATOM    314  H1  TIP3   97       1.211  -2.480  -9.386  1.00  0.00      SOLV
ATOM    315  H2  TIP3   97       2.562  -1.863  -9.620  1.00  0.00      SOLV
ATOM    316  OH2 TIP3   98     -11.295   2.047  -0.566  1.00  0.00      SOLV
ATOM    317  H1  TIP3   98     -11.009   1.237  -0.092  1.00  0.00      SOLV
ATOM    318  H2  TIP3   98     -11.082   2.735   0.085  1.00  0.00      SOLV
ATOM    319  OH2 TIP3   99      -4.922   0.164 -13.084  1.00  0.00      SOLV
ATOM    320  H1  TIP3   99      -5.112  -0.273 -13.929  1.00  0.00      SOLV
ATOM    321  H2  TIP3   99      -5.795   0.158 -12.662  1.00  0.00      SOLV
ATOM    322  OH2 TIP3  100      -6.831   0.357 -10.576  1.00  0.00      SOLV
ATOM    323  H1  TIP3  100      -6.165  -0.134 -10.086  1.00  0.00      SOLV
ATOM    324  H2  TIP3  100      -6.558   1.289 -10.435  1.00  0.00      SOLV
ATOM    325  OH2 TIP3  101     -10.026  -3.067 -10.420  1.00  0.00      SOLV
ATOM    326  H1  TIP3  101     -10.450  -2.344  -9.899  1.00  0.00      SOLV
ATOM    327  H2  TIP3  101      -9.542  -2.576 -11.109  1.00  0.00      SOLV
ATOM    328  OH2 TIP3  102      -2.469 -10.055   0.259  1.00  0.00      SOLV
ATOM    329  H1  TIP3  102      -1.628  -9.813   0.693  1.00  0.00      SOLV
ATOM    330  H2  TIP3  102      -2.786 -10.806   0.807  1.00  0.00      SOLV
ATOM    331  OH2 TIP3  103      -1.221 -10.542  -8.634  1.00  0.00      SOLV
ATOM    332  H1  TIP3  103      -1.280  -9.867  -9.326  1.00  0.00      SOLV
ATOM    333  H2  TIP3  103      -0.800 -10.014  -7.916  1.00  0.00      SOLV
ATOM    334  OH2 TIP3  104      -3.722   1.687 -10.054  1.00  0.00      SOLV
ATOM    335  H1  TIP3  104      -4.556   2.196 -10.031  1.00  0.00      SOLV
ATOM    336  H2  TIP3  104      -3.370   1.969 -10.923  1.00  0.00      SOLV
ATOM    337  OH2 TIP3  105      -4.685  -8.248  -8.105  1.00  0.00      SOLV
ATOM    338  H1  TIP3  105      -3.911  -7.649  -8.031  1.00  0.00      SOLV
ATOM    339  H2  TIP3  105      -4.724  -8.578  -7.177  1.00  0.00      SOLV
ATOM    340  OH2 TIP3  106      -3.591  -7.476   0.539  1.00  0.00      SOLV
ATOM    341  H1  TIP3  106      -3.499  -7.242   1.485  1.00  0.00      SOLV
ATOM    342  H2  TIP3  106      -3.288  -8.409   0.522  1.00  0.00      SOLV
ATOM    343  OH2 TIP3  107      -3.481 -11.775  -7.607  1.00  0.00      SOLV
ATOM    344  H1  TIP3  107      -3.450 -11.349  -6.738  1.00  0.00      SOLV
ATOM    345  H2  TIP3  107      -2.678 -11.391  -8.022  1.00  0.00      SOLV
ATOM    346  OH2 TIP3  108      -6.136   2.942  -9.953  1.00  0.00      SOLV
ATOM    347  H1  TIP3  108      -6.147   3.834 -10.365  1.00  0.00      SOLV
ATOM    348  H2  TIP3  108      -6.419   3.143  -9.043  1.00  0.00      SOLV
ATOM    349  OH2 TIP3  109      -7.513 -10.093 -10.878  1.00  0.00      SOLV
ATOM    350  H1  TIP3  109      -7.689  -9.384 -10.233  1.00  0.00      SOLV
ATOM    351  H2  TIP3  109      -6.699 -10.472 -10.490  1.00  0.00      SOLV
ATOM    352  OH2 TIP3  110       2.170  -9.553   1.836  1.00  0.00      SOLV
ATOM    353  H1  TIP3  110       1.212  -9.371   1.730  1.00  0.00      SOLV
ATOM    354  H2  TIP3  110       2.360  -9.873   0.933  1.00  0.00      SOLV
ATOM    355  OH2 TIP3  111       0.891  -5.817  -4.276  1.00  0.00      SOLV
ATOM    356  H1  TIP3  111       0.053  -6.286  -4.430  1.00  0.00      SOLV
ATOM    357  H2  TIP3  111       1.367  -6.449  -3.696  1.00  0.00      SOLV
ATOM    358  OH2 TIP3  112      -9.327   0.255 -11.721  1.00  0.00      SOLV
ATOM    359  H1  TIP3  112      -8.493   0.325 -11.204  1.00  0.00      SOLV
ATOM    360  H2  TIP3  112      -9.074  -0.521 -12.260  1.00  0.00      SOLV
ATOM    361  OH2 TIP3  113     -10.950  -7.139 -12.294  1.00  0.00      SOLV
ATOM    362  H1  TIP3  113     -11.180  -6.195 -12.208  1.00  0.00      SOLV
ATOM    363  H2  TIP3  113     -10.956  -7.257 -13.261  1.00  0.00      SOLV
ATOM    364  OH2 TIP3  114       2.336   3.703  -2.429  1.00  0.00      SOLV
ATOM    365  H1  TIP3  114       2.168   4.366  -3.131  1.00  0.00      SOLV
ATOM    366  H2  TIP3  114       3.316   3.695  -2.415  1.00  0.00      SOLV
ATOM    367  OH2 TIP3  115     -10.145 -12.514  -4.077  1.00  0.00      SOLV
ATOM    368  H1  TIP3  115     -10.223 -12.449  -5.051  1.00  0.00      SOLV
ATOM    369  H2  TIP3  115     -10.525 -13.411  -3.963  1.00  0.00      SOLV
ATOM    370  OH2 TIP3  116     -10.824   2.284  -7.529  1.00  0.00      SOLV
ATOM    371  H1  TIP3  116     -11.619   2.390  -6.973  1.00  0.00      SOLV
ATOM    372  H2  TIP3  116     -11.147   2.519  -8.424  1.00  0.00      SOLV
ATOM    373  OH2 TIP3  117     -11.656   4.481   4.034  1.00  0.00      SOLV
ATOM    374  H1  TIP3  117     -11.068   4.393   4.810  1.00  0.00      SOLV
ATOM    375  H2  TIP3  117     -11.611   3.556   3.711  1.00  0.00      SOLV
ATOM    376  OH2 TIP3  118      -3.349   2.354 -12.728  1.00  0.00      SOLV
ATOM    377  H1  TIP3  118      -4.008   1.647 -12.906  1.00  0.00      SOLV
ATOM    378  H2  TIP3  118      -2.787   2.255 -13.512  1.00  0.00      SOLV
ATOM    379  OH2 TIP3  119      -0.284   0.799   3.908  1.00  0.00      SOLV
ATOM    380  H1  TIP3  119      -0.981   0.304   4.384  1.00  0.00      SOLV
ATOM    381  H2  TIP3  119      -0.021   1.417   4.605  1.00  0.00      SOLV
ATOM    382  OH2 TIP3  120       1.110   2.233 -12.334  1.00  0.00      SOLV
ATOM    383  H1  TIP3  120       1.415   1.326 -12.461  1.00  0.00      SOLV
ATOM    384  H2  TIP3  120       1.681   2.731 -12.951  1.00  0.00      SOLV
ATOM    385  OH2 TIP3  121     -11.956  -2.146   4.820  1.00  0.00      SOLV
ATOM    386  H1  TIP3  121     -11.721  -3.091   4.764  1.00  0.00      SOLV
ATOM    387  H2  TIP3  121     -12.840  -2.178   4.400  1.00  0.00      SOLV
ATOM    388  OH2 TIP3  122      -8.316  -2.141 -12.574  1.00  0.00      SOLV
ATOM    389  H1  TIP3  122      -7.656  -2.628 -12.043  1.00  0.00      SOLV
ATOM    390  H2  TIP3  122      -8.148  -2.541 -13.456  1.00  0.00      SOLV
ATOM    391  OH2 TIP3  123      -5.629  -2.234   4.359  1.00  0.00      SOLV
ATOM    392  H1  TIP3  123      -5.808  -1.683   3.567  1.00  0.00      SOLV
ATOM    393  H2  TIP3  123      -5.376  -3.088   3.967  1.00  0.00      SOLV
ATOM    394  OH2 TIP3  124      -1.895  -0.865 -12.659  1.00  0.00      SOLV
ATOM    395  H1  TIP3  124      -2.200  -0.965 -11.736  1.00  0.00      SOLV
ATOM    396  H2  TIP3  124      -2.703  -0.541 -13.087  1.00  0.00      SOLV
ATOM    397  OH2 TIP3  125     -11.302  -4.865   4.424  1.00  0.00      SOLV
ATOM    398  H1  TIP3  125     -10.375  -5.085   4.251  1.00  0.00      SOLV
ATOM    399  H2  TIP3  125     -11.337  -4.847   5.403  1.00  0.00      SOLV
ATOM    400  OH2 TIP3  126      -6.740  -3.756 -10.913  1.00  0.00      SOLV
ATOM    401  H1  TIP3  126      -7.250  -4.312 -10.301  1.00  0.00      SOLV
ATOM    402  H2  TIP3  126      -6.288  -4.433 -11.466  1.00  0.00      SOLV
ATOM    403  OH2 TIP3  127      -7.476  -5.897   1.698  1.00  0.00      SOLV
ATOM    404  H1  TIP3  127      -8.226  -5.265   1.693  1.00  0.00      SOLV
ATOM    405  H2  TIP3  127      -6.847  -5.454   1.084  1.00  0.00      SOLV
ATOM    406  OH2 TIP3  128      -5.621  -5.638 -12.573  1.00  0.00      SOLV
ATOM    407  H1  TIP3  128      -5.658  -6.067 -13.435  1.00  0.00      SOLV
ATOM    408  H2  TIP3  128      -4.651  -5.664 -12.390  1.00  0.00      SOLV
ATOM    409  OH2 TIP3  129      -2.192  -3.090   5.101  1.00  0.00      SOLV
ATOM    410  H1  TIP3  129      -1.427  -3.629   4.880  1.00  0.00      SOLV
ATOM    411  H2  TIP3  129      -2.790  -3.743   5.498  1.00  0.00      SOLV
ATOM    412  OH2 TIP3  130      -6.873  -8.434   2.491  1.00  0.00      SOLV
ATOM    413  H1  TIP3  130      -6.804  -8.964   1.669  1.00  0.00      SOLV
ATOM    414  H2  TIP3  130      -7.087  -7.545   2.125  1.00  0.00      SOLV
ATOM    415  OH2 TIP3  131      -6.616  -9.782   0.059  1.00  0.00      SOLV
ATOM    416  H1  TIP3  131      -6.152  -9.285  -0.644  1.00  0.00      SOLV
ATOM    417  H2  TIP3  131      -7.519  -9.867  -0.315  1.00  0.00      SOLV
ATOM    418  OH2 TIP3  132      -5.584  -4.658   0.255  1.00  0.00      SOLV
ATOM    419  H1  TIP3  132      -4.652  -4.727   0.027  1.00  0.00      SOLV
ATOM    420  H2  TIP3  132      -5.861  -3.860  -0.245  1.00  0.00      SOLV
ATOM    421  OH2 TIP3  133      -0.937  -6.780   4.965  1.00  0.00      SOLV
ATOM    422  H1  TIP3  133      -0.578  -7.669   4.826  1.00  0.00      SOLV
ATOM    423  H2  TIP3  133      -0.146  -6.271   5.222  1.00  0.00      SOLV
ATOM    424  OH2 TIP3  134       0.642  -3.787   3.046  1.00  0.00      SOLV
ATOM    425  H1  TIP3  134       0.442  -2.972   2.566  1.00  0.00      SOLV
ATOM    426  H2  TIP3  134       1.628  -3.752   3.047  1.00  0.00      SOLV
ATOM    427  OH2 TIP3  135      -8.456  -7.785   4.785  1.00  0.00      SOLV
ATOM    428  H1  TIP3  135      -9.285  -8.302   4.676  1.00  0.00      SOLV
ATOM    429  H2  TIP3  135      -8.035  -7.903   3.911  1.00  0.00      SOLV
ATOM    430  OH2 TIP3  136      -5.891 -12.425   0.182  1.00  0.00      SOLV
ATOM    431  H1  TIP3  136      -6.039 -11.456   0.261  1.00  0.00      SOLV
ATOM    432  H2  TIP3  136      -6.143 -12.569  -0.739  1.00  0.00      SOLV
ATOM    433  OH2 TIP3  137      -4.588  -8.743   4.050  1.00  0.00      SOLV
ATOM    434  H1  TIP3  137      -5.034  -8.932   4.899  1.00  0.00      SOLV
ATOM    435  H2  TIP3  137      -5.376  -8.667   3.469  1.00  0.00      SOLV
ATOM    436  OH2 TIP3  138      -1.865  -9.284   3.609  1.00  0.00      SOLV
ATOM    437  H1  TIP3  138      -2.809  -9.315   3.859  1.00  0.00      SOLV
ATOM    438  H2  TIP3  138      -1.453  -9.937   4.209  1.00  0.00      SOLV
ATOM    439  OH2 TIP3  139      -0.349 -10.836   5.348  1.00  0.00      SOLV
ATOM    440  H1  TIP3  139      -0.696 -11.717   5.521  1.00  0.00      SOLV
ATOM    441  H2  TIP3  139      -0.590 -10.354   6.173  1.00  0.00      SOLV
ATOM    442  OH2 TIP3  140     -10.542  -9.538   4.619  1.00  0.00      SOLV
ATOM    443  H1  TIP3  140     -10.525 -10.310   4.014  1.00  0.00      SOLV
ATOM    444  H2  TIP3  140     -10.422  -9.999   5.478  1.00  0.00      SOLV
ATOM    445  OH2 TIP3  141      -5.042 -11.613   4.909  1.00  0.00      SOLV
ATOM    446  H1  TIP3  141      -4.787 -11.494   3.987  1.00  0.00      SOLV
ATOM    447  H2  TIP3  141      -5.685 -10.881   5.064  1.00  0.00      SOLV
ATOM    448  OH2 TIP3  142      -5.858   5.537 -10.796  1.00  0.00      SOLV
ATOM    449  H1  TIP3  142      -4.909   5.371 -10.990  1.00  0.00      SOLV
ATOM    450  H2  TIP3  142      -6.083   6.136 -11.521  1.00  0.00      SOLV
ATOM    451  OH2 TIP3  143     -12.106  -0.105 -11.493  1.00  0.00      SOLV
ATOM    452  H1  TIP3  143     -11.166   0.172 -11.551  1.00  0.00      SOLV
ATOM    453  H2  TIP3  143     -12.245  -0.450 -12.385  1.00  0.00      SOLV
ATOM    454  OH2 TIP3  144     -12.439   3.065  -5.306  1.00  0.00      SOLV
ATOM    455  H1  TIP3  144     -13.356   2.870  -5.055  1.00  0.00      SOLV
ATOM    456  H2  TIP3  144     -12.041   3.204  -4.431  1.00  0.00      SOLV
ATOM    457  OH2 TIP3  145       5.045   4.025  -2.139  1.00  0.00      SOLV
ATOM    458  H1  TIP3  145       5.172   4.689  -1.436  1.00  0.00      SOLV
ATOM    459  H2  TIP3  145       5.918   4.044  -2.569  1.00  0.00      SOLV
ATOM    460  OH2 TIP3  146       2.908  -0.847   5.581  1.00  0.00      SOLV
ATOM    461  H1  TIP3  146       2.016  -0.662   5.943  1.00  0.00      SOLV
ATOM    462  H2  TIP3  146       3.413  -0.101   5.961  1.00  0.00      SOLV
ATOM    463  OH2 TIP3  147       4.275  -2.421  -9.040  1.00  0.00      SOLV
ATOM    464  H1  TIP3  147       5.011  -1.777  -8.989  1.00  0.00      SOLV
ATOM    465  H2  TIP3  147       4.467  -3.000  -8.273  1.00  0.00      SOLV
ATOM    466  OH2 TIP3  148       4.844  -4.449  -7.185  1.00  0.00      SOLV
ATOM    467  H1  TIP3  148       3.974  -4.787  -6.879  1.00  0.00      SOLV
ATOM    468  H2  TIP3  148       5.332  -4.309  -6.348  1.00  0.00      SOLV
ATOM    469  OH2 TIP3  149       4.833  -1.503  -2.005  1.00  0.00      SOLV
ATOM    470  H1  TIP3  149       5.205  -2.255  -2.502  1.00  0.00      SOLV
ATOM    471  H2  TIP3  149       5.144  -0.731  -2.520  1.00  0.00      SOLV
ATOM    472  OH2 TIP3  150       4.749  -4.405 -10.838  1.00  0.00      SOLV
ATOM    473  H1  TIP3  150       4.067  -4.201 -11.490  1.00  0.00      SOLV
ATOM    474  H2  TIP3  150       4.585  -3.691 -10.181  1.00  0.00      SOLV
ATOM    475  OH2 TIP3  151       3.398  -7.265 -12.429  1.00  0.00      SOLV
ATOM    476  H1  TIP3  151       3.208  -6.694 -13.193  1.00  0.00      SOLV
ATOM    477  H2  TIP3  151       2.868  -8.059 -12.649  1.00  0.00      SOLV
ATOM    478  OH2 TIP3  152       2.303  -5.529  -6.658  1.00  0.00      SOLV
ATOM    479  H1  TIP3  152       2.180  -6.444  -6.956  1.00  0.00      SOLV
ATOM    480  H2  TIP3  152       1.841  -5.536  -5.790  1.00  0.00      SOLV
ATOM    481  OH2 TIP3  153     -12.830  -3.899  -2.719  1.00  0.00      SOLV
ATOM    482  H1  TIP3  153     -12.569  -3.802  -3.654  1.00  0.00      SOLV
ATOM    483  H2  TIP3  153     -11.961  -4.025  -2.279  1.00  0.00      SOLV
ATOM    484  OH2 TIP3  154       3.333  -3.700   3.131  1.00  0.00      SOLV
ATOM    485  H1  TIP3  154       3.930  -4.434   2.871  1.00  0.00      SOLV
ATOM    486  H2  TIP3  154       3.868  -2.903   2.923  1.00  0.00      SOLV
ATOM    487  OH2 TIP3  155       4.627  -6.064   2.790  1.00  0.00      SOLV
ATOM    488  H1  TIP3  155       3.737  -6.425   2.992  1.00  0.00      SOLV
ATOM    489  H2  TIP3  155       5.186  -6.803   3.112  1.00  0.00      SOLV
ATOM    490  OH2 TIP3  156       1.765  -9.431 -12.899  1.00  0.00      SOLV
ATOM    491  H1  TIP3  156       2.326 -10.124 -12.513  1.00  0.00      SOLV
ATOM    492  H2  TIP3  156       0.923  -9.555 -12.407  1.00  0.00      SOLV
ATOM    493  OH2 TIP3  157       2.135  -7.961  -8.406  1.00  0.00      SOLV
ATOM    494  H1  TIP3  157       2.476  -8.881  -8.305  1.00  0.00      SOLV
ATOM    495  H2  TIP3  157       2.880  -7.561  -8.898  1.00  0.00      SOLV
ATOM    496  OH2 TIP3  158       2.511  -7.594  -2.824  1.00  0.00      SOLV
ATOM    497  H1  TIP3  158       3.481  -7.513  -2.971  1.00  0.00      SOLV
ATOM    498  H2  TIP3  158       2.478  -7.453  -1.859  1.00  0.00      SOLV
ATOM    499  OH2 TIP3  159       2.866  -6.825  -0.119  1.00  0.00      SOLV
ATOM    500  H1  TIP3  159       2.034  -6.558   0.304  1.00  0.00      SOLV
ATOM    501  H2  TIP3  159       3.305  -5.955  -0.256  1.00  0.00      SOLV
ATOM    502  OH2 TIP3  160     -12.706  -8.697   3.225  1.00  0.00      SOLV
ATOM    503  H1  TIP3  160     -11.949  -8.902   3.807  1.00  0.00      SOLV
ATOM    504  H2  TIP3  160     -13.443  -8.930   3.825  1.00  0.00      SOLV
ATOM    505  OH2 TIP3  161       5.760 -12.221   4.939  1.00  0.00      SOLV
ATOM    506  H1  TIP3  161       5.341 -13.081   4.720  1.00  0.00      SOLV
ATOM    507  H2  TIP3  161       5.254 -11.617   4.353  1.00  0.00      SOLV
ATOM    508  OH2 TIP3  162       2.941 -10.597  -8.043  1.00  0.00      SOLV
ATOM    509  H1  TIP3  162       2.997 -11.030  -7.172  1.00  0.00      SOLV
ATOM    510  H2  TIP3  162       2.663 -11.335  -8.605  1.00  0.00      SOLV
ATOM    511  OH2 TIP3  163     -11.634 -10.172  -3.966  1.00  0.00      SOLV
ATOM    512  H1  TIP3  163     -11.178 -11.024  -3.827  1.00  0.00      SOLV
ATOM    513  H2  TIP3  163     -11.017  -9.558  -3.535  1.00  0.00      SOLV
ATOM    514  OH2 TIP3  164     -13.299  -6.551  -3.242  1.00  0.00      SOLV
ATOM    515  H1  TIP3  164     -12.420  -6.777  -3.595  1.00  0.00      SOLV
ATOM    516  H2  TIP3  164     -13.143  -5.644  -2.909  1.00  0.00      SOLV
ATOM    517  OH2 TIP3  165       4.341 -10.706   3.193  1.00  0.00      SOLV
ATOM    518  H1  TIP3  165       3.495 -10.231   3.065  1.00  0.00      SOLV
ATOM    519  H2  TIP3  165       4.254 -11.364   2.470  1.00  0.00      SOLV
ATOM    520  OH2 TIP3  166       4.104 -10.650 -11.515  1.00  0.00      SOLV
ATOM    521  H1  TIP3  166       4.358 -10.857 -12.432  1.00  0.00      SOLV
ATOM    522  H2  TIP3  166       4.901 -10.189 -11.189  1.00  0.00      SOLV
ATOM    523  OH2 TIP3  167     -13.359 -11.011  -9.300  1.00  0.00      SOLV
ATOM    524  H1  TIP3  167     -13.347 -10.839  -8.353  1.00  0.00      SOLV
ATOM    525  H2  TIP3  167     -12.833 -10.256  -9.656  1.00  0.00      SOLV
ATOM    526  OH2 TIP3  168       1.621   4.126  -6.440  1.00  0.00      SOLV
ATOM    527  H1  TIP3  168       2.350   4.151  -7.092  1.00  0.00      SOLV
ATOM    528  H2  TIP3  168       1.977   4.657  -5.709  1.00  0.00      SOLV
ATOM    529  OH2 TIP3  169     -11.263   1.784   3.683  1.00  0.00      SOLV
ATOM    530  H1  TIP3  169     -11.857   1.153   3.260  1.00  0.00      SOLV
ATOM    531  H2  TIP3  169     -11.496   1.661   4.616  1.00  0.00      SOLV
ATOM    532  OH2 TIP3  170      -7.778   2.304   0.121  1.00  0.00      SOLV
ATOM    533  H1  TIP3  170      -8.022   3.237  -0.054  1.00  0.00      SOLV
ATOM    534  H2  TIP3  170      -6.805   2.368   0.043  1.00  0.00      SOLV
ATOM    535  OH2 TIP3  171      -4.191   3.801   2.993  1.00  0.00      SOLV
ATOM    536  H1  TIP3  171      -3.988   3.179   3.732  1.00  0.00      SOLV
ATOM    537  H2  TIP3  171      -3.302   4.158   2.819  1.00  0.00      SOLV
ATOM    538  OH2 TIP3  172      -1.726   4.911   2.383  1.00  0.00      SOLV
ATOM    539  H1  TIP3  172      -1.198   4.217   1.959  1.00  0.00      SOLV
ATOM    540  H2  TIP3  172      -1.160   5.171   3.144  1.00  0.00      SOLV
ATOM    541  OH2 TIP3  173       3.707 -12.474   1.191  1.00  0.00      SOLV
ATOM    542  H1  TIP3  173       3.086 -11.963   0.627  1.00  0.00      SOLV
ATOM    543  H2  TIP3  173       3.170 -13.246   1.413  1.00  0.00      SOLV
ATOM    544  OH2 TIP3  174     -11.075   5.258   0.481  1.00  0.00      SOLV
ATOM    545  H1  TIP3  174     -12.024   5.460   0.371  1.00  0.00      SOLV
ATOM    546  H2  TIP3  174     -10.873   5.799   1.266  1.00  0.00      SOLV
ATOM    547  OH2 TIP3  175      -8.381   4.946  -0.408  1.00  0.00      SOLV
ATOM    548  H1  TIP3  175      -9.318   5.091  -0.160  1.00  0.00      SOLV
ATOM    549  H2  TIP3  175      -8.327   5.429  -1.257  1.00  0.00      SOLV
ATOM    550  OH2 TIP3  176      -3.485   4.572  -1.755  1.00  0.00      SOLV
ATOM    551  H1  TIP3  176      -4.004   5.181  -2.291  1.00  0.00      SOLV
ATOM    552  H2  TIP3  176      -3.215   5.151  -1.009  1.00  0.00      SOLV
ATOM    553  OH2 TIP3  177       1.659   4.839  -0.068  1.00  0.00      SOLV
ATOM    554  H1  TIP3  177       1.219   5.576  -0.500  1.00  0.00      SOLV
ATOM    555  H2  TIP3  177       1.799   4.240  -0.835  1.00  0.00      SOLV
ATOM    556  OH2 TIP3  178     -11.124   3.706  -2.866  1.00  0.00      SOLV
ATOM    557  H1  TIP3  178     -11.219   3.218  -2.024  1.00  0.00      SOLV
ATOM    558  H2  TIP3  178     -10.270   3.358  -3.193  1.00  0.00      SOLV
ATOM    559  OH2 TIP3  179      -8.860   2.816  -4.192  1.00  0.00      SOLV
ATOM    560  H1  TIP3  179      -9.043   1.862  -4.026  1.00  0.00      SOLV
ATOM    561  H2  TIP3  179      -7.997   2.919  -3.734  1.00  0.00      SOLV
ATOM    562  OH2 TIP3  180      -6.406   2.956  -2.983  1.00  0.00      SOLV
ATOM    563  H1  TIP3  180      -6.239   2.010  -3.206  1.00  0.00      SOLV
ATOM    564  H2  TIP3  180      -6.068   2.961  -2.068  1.00  0.00      SOLV
ATOM    565  OH2 TIP3  181      -3.172 -11.161  -4.284  1.00  0.00      SOLV
ATOM    566  H1  TIP3  181      -3.880 -11.828  -4.179  1.00  0.00      SOLV
ATOM    567  H2  TIP3  181      -2.413 -11.702  -4.601  1.00  0.00      SOLV
ATOM    568  OH2 TIP3  182       1.978 -11.939  -3.572  1.00  0.00      SOLV
ATOM    569  H1  TIP3  182       2.654 -11.949  -4.275  1.00  0.00      SOLV
ATOM    570  H2  TIP3  182       1.590 -12.827  -3.688  1.00  0.00      SOLV
ATOM    571  OH2 TIP3  183       3.694 -12.250  -5.772  1.00  0.00      SOLV
ATOM    572  H1  TIP3  183       4.326 -12.978  -5.758  1.00  0.00      SOLV
ATOM    573  H2  TIP3  183       4.317 -11.481  -5.744  1.00  0.00      SOLV
ATOM    574  OH2 TIP3  184     -10.773 -12.735  -6.777  1.00  0.00      SOLV
ATOM    575  H1  TIP3  184     -11.736 -12.834  -6.687  1.00  0.00      SOLV
ATOM    576  H2  TIP3  184     -10.546 -13.565  -7.230  1.00  0.00      SOLV
ATOM    577  OH2 TIP3  185     -12.140 -12.787 -11.246  1.00  0.00      SOLV
ATOM    578  H1  TIP3  185     -11.348 -12.238 -11.439  1.00  0.00      SOLV
ATOM    579  H2  TIP3  185     -12.526 -12.295 -10.496  1.00  0.00      SOLV
ATOM    580  OH2 TIP3  186      -6.277 -11.982  -6.826  1.00  0.00      SOLV
ATOM    581  H1  TIP3  186      -5.385 -12.148  -7.163  1.00  0.00      SOLV
ATOM    582  H2  TIP3  186      -6.180 -12.292  -5.906  1.00  0.00      SOLV
ATOM    583  OH2 TIP3  187      -0.979 -12.515  -5.234  1.00  0.00      SOLV
ATOM    584  H1  TIP3  187      -0.332 -12.294  -5.912  1.00  0.00      SOLV
ATOM    585  H2  TIP3  187      -0.468 -13.143  -4.699  1.00  0.00      SOLV
ATOM    586  OH2 TIP3  188       0.551 -12.534  -9.474  1.00  0.00      SOLV
ATOM    587  H1  TIP3  188      -0.085 -11.809  -9.322  1.00  0.00      SOLV
ATOM    588  H2  TIP3  188       0.698 -12.870  -8.560  1.00  0.00      SOLV
ATOM    589  OH2 TIP3  189     -11.598   3.468  -9.915  1.00  0.00      SOLV
ATOM    590  H1  TIP3  189     -12.513   3.138 -10.036  1.00  0.00      SOLV
ATOM    591  H2  TIP3  189     -11.750   4.433  -9.995  1.00  0.00      SOLV
ATOM    592  OH2 TIP3  190      -9.945 -11.262 -11.855  1.00  0.00      SOLV
ATOM    593  H1  TIP3  190      -9.763 -11.011 -12.771  1.00  0.00      SOLV
ATOM    594  H2  TIP3  190      -9.137 -10.940 -11.409  1.00  0.00      SOLV
ATOM    595  OH2 TIP3  191      -5.014 -10.490  -9.657  1.00  0.00      SOLV
ATOM    596  H1  TIP3  191      -4.724 -11.115  -8.970  1.00  0.00      SOLV
ATOM    597  H2  TIP3  191      -4.914  -9.644  -9.170  1.00  0.00      SOLV
ATOM    598  OH2 TIP3  192      -3.286   4.678 -11.287  1.00  0.00      SOLV
ATOM    599  H1  TIP3  192      -2.308   4.753 -11.383  1.00  0.00      SOLV
ATOM    600  H2  TIP3  192      -3.415   3.924 -11.904  1.00  0.00      SOLV
ATOM    601  OH2 TIP3  193       3.637   4.110  -8.391  1.00  0.00      SOLV
ATOM    602  H1  TIP3  193       3.487   3.182  -8.697  1.00  0.00      SOLV
ATOM    603  H2  TIP3  193       3.478   4.599  -9.223  1.00  0.00      SOLV
ATOM    604  OH2 TIP3  194     -10.466 -11.734   3.004  1.00  0.00      SOLV
ATOM    605  H1  TIP3  194     -11.148 -12.394   2.839  1.00  0.00      SOLV
ATOM    606  H2  TIP3  194      -9.833 -12.233   3.568  1.00  0.00      SOLV
ATOM    607  OH2 TIP3  195      -8.668 -13.132   4.613  1.00  0.00      SOLV
ATOM    608  H1  TIP3  195      -7.724 -13.115   4.818  1.00  0.00      SOLV
ATOM    609  H2  TIP3  195      -8.843 -14.091   4.720  1.00  0.00      SOLV
ATOM    610  OH2 TIP3  196      -9.877   2.972 -12.209  1.00  0.00      SOLV
ATOM    611  H1  TIP3  196     -10.420   3.105 -11.414  1.00  0.00      SOLV
ATOM    612  H2  TIP3  196      -9.584   2.051 -12.099  1.00  0.00      SOLV
ATOM    613  OH2 TIP3  197       2.782   2.477   3.757  1.00  0.00      SOLV
ATOM    614  H1  TIP3  197       2.030   2.176   3.227  1.00  0.00      SOLV
ATOM    615  H2  TIP3  197       2.600   3.436   3.850  1.00  0.00      SOLV
ATOM    616  OH2 TIP3  198       8.272  -4.852  -1.564  1.00  0.00      SOLV
ATOM    617  H1  TIP3  198       8.352  -5.492  -0.832  1.00  0.00      SOLV
ATOM    618  H2  TIP3  198       9.212  -4.688  -1.781  1.00  0.00      SOLV
ATOM    619  OH2 TIP3  199       9.472  -0.277  -3.405  1.00  0.00      SOLV
ATOM    620  H1  TIP3  199       9.097  -1.142  -3.648  1.00  0.00      SOLV
ATOM    621  H2  TIP3  199      10.416  -0.510  -3.283  1.00  0.00      SOLV
ATOM    622  OH2 TIP3  200       6.309  -6.745  -7.934  1.00  0.00      SOLV
ATOM    623  H1  TIP3  200       6.014  -5.855  -7.663  1.00  0.00      SOLV
ATOM    624  H2  TIP3  200       5.575  -6.984  -8.526  1.00  0.00      SOLV
ATOM    625  OH2 TIP3  201       6.819  -4.340  -5.135  1.00  0.00      SOLV
ATOM    626  H1  TIP3  201       7.147  -5.251  -4.985  1.00  0.00      SOLV
ATOM    627  H2  TIP3  201       7.629  -3.811  -4.965  1.00  0.00      SOLV
ATOM    628  OH2 TIP3  202      10.688  -9.743  -5.177  1.00  0.00      SOLV
ATOM    629  H1  TIP3  202      11.269  -9.088  -5.598  1.00  0.00      SOLV
ATOM    630  H2  TIP3  202      10.236 -10.123  -5.954  1.00  0.00      SOLV
ATOM    631  OH2 TIP3  203       7.562  -6.949  -4.507  1.00  0.00      SOLV
ATOM    632  H1  TIP3  203       8.163  -7.439  -3.914  1.00  0.00      SOLV
ATOM    633  H2  TIP3  203       7.908  -7.240  -5.377  1.00  0.00      SOLV
ATOM    634  OH2 TIP3  204      11.792  -5.502  -4.788  1.00  0.00      SOLV
ATOM    635  H1  TIP3  204      12.496  -5.930  -4.247  1.00  0.00      SOLV
ATOM    636  H2  TIP3  204      11.623  -6.221  -5.426  1.00  0.00      SOLV
ATOM    637  OH2 TIP3  205       9.647 -10.209  -0.849  1.00  0.00      SOLV
ATOM    638  H1  TIP3  205       9.353  -9.675  -1.611  1.00  0.00      SOLV
ATOM    639  H2  TIP3  205       8.951  -9.984  -0.193  1.00  0.00      SOLV
ATOM    640  OH2 TIP3  206      12.001  -2.423  -1.177  1.00  0.00      SOLV
ATOM    641  H1  TIP3  206      11.604  -1.699  -0.646  1.00  0.00      SOLV
ATOM    642  H2  TIP3  206      12.216  -1.928  -1.996  1.00  0.00      SOLV
ATOM    643  OH2 TIP3  207       9.265  -8.698  -3.134  1.00  0.00      SOLV
ATOM    644  H1  TIP3  207       9.934  -8.184  -2.626  1.00  0.00      SOLV
ATOM    645  H2  TIP3  207       9.839  -9.123  -3.819  1.00  0.00      SOLV
ATOM    646  OH2 TIP3  208      10.820  -0.378   0.135  1.00  0.00      SOLV
ATOM    647  H1  TIP3  208      10.893   0.580  -0.063  1.00  0.00      SOLV
ATOM    648  H2  TIP3  208       9.863  -0.440   0.335  1.00  0.00      SOLV
ATOM    649  OH2 TIP3  209       6.562  -0.772  -9.219  1.00  0.00      SOLV
ATOM    650  H1  TIP3  209       6.498  -0.288 -10.065  1.00  0.00      SOLV
ATOM    651  H2  TIP3  209       6.771  -0.045  -8.595  1.00  0.00      SOLV
ATOM    652  OH2 TIP3  210      11.032  -3.281  -6.238  1.00  0.00      SOLV
ATOM    653  H1  TIP3  210      10.863  -3.594  -7.150  1.00  0.00      SOLV
ATOM    654  H2  TIP3  210      11.448  -4.068  -5.825  1.00  0.00      SOLV
ATOM    655  OH2 TIP3  211      12.242  -0.743  -3.316  1.00  0.00      SOLV
ATOM    656  H1  TIP3  211      12.461  -1.040  -4.224  1.00  0.00      SOLV
ATOM    657  H2  TIP3  211      13.017  -0.161  -3.143  1.00  0.00      SOLV
ATOM    658  OH2 TIP3  212      10.890  -4.601  -2.305  1.00  0.00      SOLV
ATOM    659  H1  TIP3  212      11.370  -4.755  -3.146  1.00  0.00      SOLV
ATOM    660  H2  TIP3  212      11.429  -3.872  -1.909  1.00  0.00      SOLV
ATOM    661  OH2 TIP3  213      12.196  -0.205   2.517  1.00  0.00      SOLV
ATOM    662  H1  TIP3  213      11.607   0.532   2.783  1.00  0.00      SOLV
ATOM    663  H2  TIP3  213      11.865  -0.358   1.608  1.00  0.00      SOLV
ATOM    664  OH2 TIP3  214       9.239  -4.397   2.000  1.00  0.00      SOLV
ATOM    665  H1  TIP3  214       9.302  -3.490   2.364  1.00  0.00      SOLV
ATOM    666  H2  TIP3  214       8.339  -4.363   1.614  1.00  0.00      SOLV
ATOM    667  OH2 TIP3  215      10.326   1.756   2.870  1.00  0.00      SOLV
ATOM    668  H1  TIP3  215      10.191   1.977   1.933  1.00  0.00      SOLV
ATOM    669  H2  TIP3  215       9.421   1.499   3.167  1.00  0.00      SOLV
ATOM    670  OH2 TIP3  216      10.242  -4.221  -8.781  1.00  0.00      SOLV
ATOM    671  H1  TIP3  216       9.650  -3.562  -9.209  1.00  0.00      SOLV
ATOM    672  H2  TIP3  216       9.683  -5.006  -8.797  1.00  0.00      SOLV
ATOM    673  OH2 TIP3  217       6.073  -1.813   0.430  1.00  0.00      SOLV
ATOM    674  H1  TIP3  217       5.643  -1.755  -0.452  1.00  0.00      SOLV
ATOM    675  H2  TIP3  217       6.234  -2.775   0.528  1.00  0.00      SOLV
ATOM    676  OH2 TIP3  218       6.035   0.831  -2.962  1.00  0.00      SOLV
ATOM    677  H1  TIP3  218       6.984   0.722  -2.808  1.00  0.00      SOLV
ATOM    678  H2  TIP3  218       5.787   1.427  -2.237  1.00  0.00      SOLV
ATOM    679  OH2 TIP3  219       8.987   3.364  -6.646  1.00  0.00      SOLV
ATOM    680  H1  TIP3  219       9.198   3.002  -5.757  1.00  0.00      SOLV
ATOM    681  H2  TIP3  219       8.366   2.684  -6.978  1.00  0.00      SOLV
ATOM    682  OH2 TIP3  220       8.221  -0.220   1.004  1.00  0.00      SOLV
ATOM    683  H1  TIP3  220       8.448  -0.619   1.866  1.00  0.00      SOLV
ATOM    684  H2  TIP3  220       7.434  -0.759   0.766  1.00  0.00      SOLV
ATOM    685  OH2 TIP3  221      10.578 -12.465  -2.132  1.00  0.00      SOLV
ATOM    686  H1  TIP3  221      10.015 -12.396  -2.926  1.00  0.00      SOLV
ATOM    687  H2  TIP3  221      10.280 -11.664  -1.649  1.00  0.00      SOLV
ATOM    688  OH2 TIP3  222      10.764  -7.261  -1.382  1.00  0.00      SOLV
ATOM    689  H1  TIP3  222      10.094  -7.095  -0.685  1.00  0.00      SOLV
ATOM    690  H2  TIP3  222      10.934  -6.362  -1.719  1.00  0.00      SOLV
ATOM    691  OH2 TIP3  223      11.323  -7.444  -6.697  1.00  0.00      SOLV
ATOM    692  H1  TIP3  223      10.341  -7.434  -6.657  1.00  0.00      SOLV
ATOM    693  H2  TIP3  223      11.441  -7.757  -7.622  1.00  0.00      SOLV
ATOM    694  OH2 TIP3  224       8.697  -6.854   0.360  1.00  0.00      SOLV
ATOM    695  H1  TIP3  224       8.777  -6.523   1.267  1.00  0.00      SOLV
ATOM    696  H2  TIP3  224       8.319  -7.747   0.514  1.00  0.00      SOLV
ATOM    697  OH2 TIP3  225      12.157  -8.861 -12.640  1.00  0.00      SOLV
ATOM    698  H1  TIP3  225      11.872  -9.595 -12.068  1.00  0.00      SOLV
ATOM    699  H2  TIP3  225      11.577  -8.963 -13.403  1.00  0.00      SOLV
ATOM    700  OH2 TIP3  226       5.436 -10.229  -5.785  1.00  0.00      SOLV
ATOM    701  H1  TIP3  226       5.911 -10.142  -4.932  1.00  0.00      SOLV
ATOM    702  H2  TIP3  226       5.793  -9.495  -6.286  1.00  0.00      SOLV
ATOM    703  OH2 TIP3  227       6.126  -9.121 -10.378  1.00  0.00      SOLV
ATOM    704  H1  TIP3  227       6.838  -8.702 -10.908  1.00  0.00      SOLV
ATOM    705  H2  TIP3  227       5.567  -8.345 -10.186  1.00  0.00      SOLV
ATOM    706  OH2 TIP3  228       8.610  -7.806  -6.882  1.00  0.00      SOLV
ATOM    707  H1  TIP3  228       7.830  -7.494  -7.397  1.00  0.00      SOLV
ATOM    708  H2  TIP3  228       8.670  -8.749  -7.145  1.00  0.00      SOLV
ATOM    709  OH2 TIP3  229      11.913  -7.904  -9.311  1.00  0.00      SOLV
ATOM    710  H1  TIP3  229      12.868  -7.713  -9.234  1.00  0.00      SOLV
ATOM    711  H2  TIP3  229      11.658  -7.293 -10.035  1.00  0.00      SOLV
ATOM    712  OH2 TIP3  230      11.141  -6.524 -11.578  1.00  0.00      SOLV
ATOM    713  H1  TIP3  230      10.233  -6.574 -11.892  1.00  0.00      SOLV
ATOM    714  H2  TIP3  230      11.581  -7.205 -12.136  1.00  0.00      SOLV
ATOM    715  OH2 TIP3  231       8.990  -1.946   3.307  1.00  0.00      SOLV
ATOM    716  H1  TIP3  231       9.637  -2.031   4.033  1.00  0.00      SOLV
ATOM    717  H2  TIP3  231       8.188  -1.710   3.813  1.00  0.00      SOLV
ATOM    718  OH2 TIP3  232       9.296 -10.427  -7.516  1.00  0.00      SOLV
ATOM    719  H1  TIP3  232       8.896 -11.293  -7.276  1.00  0.00      SOLV
ATOM    720  H2  TIP3  232       9.645 -10.624  -8.396  1.00  0.00      SOLV
ATOM    721  OH2 TIP3  233       9.095  -3.000  -4.260  1.00  0.00      SOLV
ATOM    722  H1  TIP3  233       9.748  -3.013  -4.993  1.00  0.00      SOLV
ATOM    723  H2  TIP3  233       9.556  -3.501  -3.571  1.00  0.00      SOLV
ATOM    724  OH2 TIP3  234       6.499  -4.445   1.355  1.00  0.00      SOLV
ATOM    725  H1  TIP3  234       6.342  -4.734   2.274  1.00  0.00      SOLV
ATOM    726  H2  TIP3  234       5.768  -4.899   0.907  1.00  0.00      SOLV
ATOM    727  OH2 TIP3  235      11.523   1.017  -6.837  1.00  0.00      SOLV
ATOM    728  H1  TIP3  235      11.610   1.856  -7.324  1.00  0.00      SOLV
ATOM    729  H2  TIP3  235      10.682   1.139  -6.386  1.00  0.00      SOLV
ATOM    730  OH2 TIP3  236       7.433  -4.762 -11.538  1.00  0.00      SOLV
ATOM    731  H1  TIP3  236       7.894  -4.028 -11.078  1.00  0.00      SOLV
ATOM    732  H2  TIP3  236       6.531  -4.674 -11.164  1.00  0.00      SOLV
ATOM    733  OH2 TIP3  237      12.855  -1.202  -5.918  1.00  0.00      SOLV
ATOM    734  H1  TIP3  237      12.393  -0.412  -6.274  1.00  0.00      SOLV
ATOM    735  H2  TIP3  237      12.224  -1.919  -6.122  1.00  0.00      SOLV
ATOM    736  OH2 TIP3  238      11.485   3.695  -7.775  1.00  0.00      SOLV
ATOM    737  H1  TIP3  238      10.557   3.717  -7.461  1.00  0.00      SOLV
ATOM    738  H2  TIP3  238      11.859   4.461  -7.284  1.00  0.00      SOLV
ATOM    739  OH2 TIP3  239       7.622  -9.412   0.805  1.00  0.00      SOLV
ATOM    740  H1  TIP3  239       6.671  -9.222   0.660  1.00  0.00      SOLV
ATOM    741  H2  TIP3  239       7.592 -10.092   1.500  1.00  0.00      SOLV
ATOM    742  OH2 TIP3  240       7.656   2.183  -0.740  1.00  0.00      SOLV
ATOM    743  H1  TIP3  240       7.895   1.364  -0.267  1.00  0.00      SOLV
ATOM    744  H2  TIP3  240       7.707   2.837  -0.029  1.00  0.00      SOLV
ATOM    745  OH2 TIP3  241      13.321   1.062 -13.945  1.00  0.00      SOLV
ATOM    746  H1  TIP3  241      13.160   0.101 -13.957  1.00  0.00      SOLV
ATOM    747  H2  TIP3  241      13.157   1.288 -13.016  1.00  0.00      SOLV
ATOM    748  OH2 TIP3  242      12.083   0.536 -10.939  1.00  0.00      SOLV
ATOM    749  H1  TIP3  242      12.961   0.129 -10.868  1.00  0.00      SOLV
ATOM    750  H2  TIP3  242      12.261   1.427 -10.573  1.00  0.00      SOLV
ATOM    751  OH2 TIP3  243       8.490  -2.557 -10.091  1.00  0.00      SOLV
ATOM    752  H1  TIP3  243       7.793  -2.031  -9.641  1.00  0.00      SOLV
ATOM    753  H2  TIP3  243       8.966  -1.838 -10.547  1.00  0.00      SOLV
ATOM    754  OH2 TIP3  244      12.698   3.071 -10.156  1.00  0.00      SOLV
ATOM    755  H1  TIP3  244      12.554   3.824 -10.766  1.00  0.00      SOLV
ATOM    756  H2  TIP3  244      12.213   3.358  -9.349  1.00  0.00      SOLV
ATOM    757  OH2 TIP3  245      11.186 -10.342 -10.429  1.00  0.00      SOLV
ATOM    758  H1  TIP3  245      11.290  -9.498  -9.944  1.00  0.00      SOLV
ATOM    759  H2  TIP3  245      11.980 -10.819 -10.102  1.00  0.00      SOLV
ATOM    760  OH2 TIP3  246       9.437  -0.158 -11.448  1.00  0.00      SOLV
ATOM    761  H1  TIP3  246      10.287   0.222 -11.140  1.00  0.00      SOLV
ATOM    762  H2  TIP3  246       9.804  -0.868 -12.020  1.00  0.00      SOLV
ATOM    763  OH2 TIP3  247       7.768  -7.529 -12.038  1.00  0.00      SOLV
ATOM    764  H1  TIP3  247       7.718  -6.559 -11.951  1.00  0.00      SOLV
ATOM    765  H2  TIP3  247       7.936  -7.638 -12.995  1.00  0.00      SOLV
ATOM    766  OH2 TIP3  248       8.486 -12.369  -4.078  1.00  0.00      SOLV
ATOM    767  H1  TIP3  248       8.543 -12.442  -5.054  1.00  0.00      SOLV
ATOM    768  H2  TIP3  248       8.078 -13.237  -3.883  1.00  0.00      SOLV
ATOM    769  OH2 TIP3  249       7.105   1.555  -7.684  1.00  0.00      SOLV
ATOM    770  H1  TIP3  249       6.488   1.941  -7.039  1.00  0.00      SOLV
ATOM    771  H2  TIP3  249       6.997   2.156  -8.460  1.00  0.00      SOLV
ATOM    772  OH2 TIP3  250       6.843   4.488   3.878  1.00  0.00      SOLV
ATOM    773  H1  TIP3  250       7.431   4.125   4.583  1.00  0.00      SOLV
ATOM    774  H2  TIP3  250       6.381   3.671   3.593  1.00  0.00      SOLV
ATOM    775  OH2 TIP3  251      11.038   3.093   5.171  1.00  0.00      SOLV
ATOM    776  H1  TIP3  251      11.818   2.561   5.422  1.00  0.00      SOLV
ATOM    777  H2  TIP3  251      10.847   2.687   4.300  1.00  0.00      SOLV
ATOM    778  OH2 TIP3  252       6.517  -1.893   4.660  1.00  0.00      SOLV
ATOM    779  H1  TIP3  252       6.607  -2.858   4.522  1.00  0.00      SOLV
ATOM    780  H2  TIP3  252       5.790  -1.677   4.037  1.00  0.00      SOLV
ATOM    781  OH2 TIP3  253      10.675  -2.300 -12.504  1.00  0.00      SOLV
ATOM    782  H1  TIP3  253      11.205  -2.899 -11.949  1.00  0.00      SOLV
ATOM    783  H2  TIP3  253      11.346  -2.044 -13.171  1.00  0.00      SOLV
ATOM    784  OH2 TIP3  254      12.712  -2.629   3.552  1.00  0.00      SOLV
ATOM    785  H1  TIP3  254      12.510  -1.809   3.044  1.00  0.00      SOLV
ATOM    786  H2  TIP3  254      13.097  -3.200   2.871  1.00  0.00      SOLV
ATOM    787  OH2 TIP3  255       7.262  -4.513   4.283  1.00  0.00      SOLV
ATOM    788  H1  TIP3  255       8.163  -4.607   3.938  1.00  0.00      SOLV
ATOM    789  H2  TIP3  255       7.388  -4.655   5.243  1.00  0.00      SOLV
ATOM    790  OH2 TIP3  256      12.155  -4.062 -10.887  1.00  0.00      SOLV
ATOM    791  H1  TIP3  256      11.672  -4.003 -10.044  1.00  0.00      SOLV
ATOM    792  H2  TIP3  256      11.890  -4.961 -11.181  1.00  0.00      SOLV
ATOM    793  OH2 TIP3  257      11.744  -5.497   1.297  1.00  0.00      SOLV
ATOM    794  H1  TIP3  257      10.887  -5.091   1.557  1.00  0.00      SOLV
ATOM    795  H2  TIP3  257      11.780  -5.289   0.357  1.00  0.00      SOLV
ATOM    796  OH2 TIP3  258      11.175  -8.067   2.213  1.00  0.00      SOLV
ATOM    797  H1  TIP3  258      11.628  -8.694   1.617  1.00  0.00      SOLV
ATOM    798  H2  TIP3  258      11.531  -7.216   1.894  1.00  0.00      SOLV
ATOM    799  OH2 TIP3  259      12.173  -9.561  -0.014  1.00  0.00      SOLV
ATOM    800  H1  TIP3  259      12.387  -8.882  -0.670  1.00  0.00      SOLV
ATOM    801  H2  TIP3  259      11.249  -9.769  -0.267  1.00  0.00      SOLV
ATOM    802  OH2 TIP3  260      10.331  -7.816   4.754  1.00  0.00      SOLV
ATOM    803  H1  TIP3  260       9.522  -8.356   4.663  1.00  0.00      SOLV
ATOM    804  H2  TIP3  260      10.637  -7.808   3.815  1.00  0.00      SOLV
ATOM    805  OH2 TIP3  261      12.557 -12.348  -0.061  1.00  0.00      SOLV
ATOM    806  H1  TIP3  261      12.701 -11.386   0.017  1.00  0.00      SOLV
ATOM    807  H2  TIP3  261      12.055 -12.401  -0.893  1.00  0.00      SOLV
ATOM    808  OH2 TIP3  262       8.076  -9.461   4.686  1.00  0.00      SOLV
ATOM    809  H1  TIP3  262       8.066 -10.197   4.035  1.00  0.00      SOLV
ATOM    810  H2  TIP3  262       8.301  -9.966   5.497  1.00  0.00      SOLV
ATOM    811  OH2 TIP3  263      12.862   5.368 -11.726  1.00  0.00      SOLV
ATOM    812  H1  TIP3  263      13.680   5.665 -11.267  1.00  0.00      SOLV
ATOM    813  H2  TIP3  263      12.295   6.140 -11.652  1.00  0.00      SOLV
ATOM    814  OH2 TIP3  264       6.777   0.202 -11.879  1.00  0.00      SOLV
ATOM    815  H1  TIP3  264       7.752   0.225 -11.730  1.00  0.00      SOLV
ATOM    816  H2  TIP3  264       6.729  -0.352 -12.664  1.00  0.00      SOLV
ATOM    817  OH2 TIP3  265       5.564   4.930  -6.638  1.00  0.00      SOLV
ATOM    818  H1  TIP3  265       4.942   4.637  -7.342  1.00  0.00      SOLV
ATOM    819  H2  TIP3  265       5.673   4.093  -6.139  1.00  0.00      SOLV
ATOM    820  OH2 TIP3  266       6.118   2.618  -5.253  1.00  0.00      SOLV
ATOM    821  H1  TIP3  266       5.815   1.810  -4.801  1.00  0.00      SOLV
ATOM    822  H2  TIP3  266       6.571   3.057  -4.511  1.00  0.00      SOLV
ATOM    823  OH2 TIP3  267       5.950  -3.957  -2.569  1.00  0.00      SOLV
ATOM    824  H1  TIP3  267       6.156  -4.065  -3.521  1.00  0.00      SOLV
ATOM    825  H2  TIP3  267       6.824  -4.198  -2.176  1.00  0.00      SOLV
ATOM    826  OH2 TIP3  268       5.839  -8.412   3.387  1.00  0.00      SOLV
ATOM    827  H1  TIP3  268       6.665  -8.663   3.845  1.00  0.00      SOLV
ATOM    828  H2  TIP3  268       5.314  -9.233   3.492  1.00  0.00      SOLV
ATOM    829  OH2 TIP3  269       6.934 -10.153  -3.502  1.00  0.00      SOLV
ATOM    830  H1  TIP3  269       7.419 -10.997  -3.636  1.00  0.00      SOLV
ATOM    831  H2  TIP3  269       7.687  -9.559  -3.317  1.00  0.00      SOLV
ATOM    832  OH2 TIP3  270       5.247  -7.222  -2.964  1.00  0.00      SOLV
ATOM    833  H1  TIP3  270       5.970  -7.240  -3.620  1.00  0.00      SOLV
ATOM    834  H2  TIP3  270       5.567  -6.543  -2.362  1.00  0.00      SOLV
ATOM    835  OH2 TIP3  271       5.716 -11.425  -8.870  1.00  0.00      SOLV
ATOM    836  H1  TIP3  271       4.833 -11.196  -8.536  1.00  0.00      SOLV
ATOM    837  H2  TIP3  271       5.987 -10.566  -9.257  1.00  0.00      SOLV
ATOM    838  OH2 TIP3  272       5.333 -12.880  -1.015  1.00  0.00      SOLV
ATOM    839  H1  TIP3  272       5.064 -12.781  -0.087  1.00  0.00      SOLV
ATOM    840  H2  TIP3  272       5.187 -11.974  -1.358  1.00  0.00      SOLV
ATOM    841  OH2 TIP3  273       7.929   1.141   4.033  1.00  0.00      SOLV
ATOM    842  H1  TIP3  273       7.015   1.399   3.803  1.00  0.00      SOLV
ATOM    843  H2  TIP3  273       7.895   1.172   4.998  1.00  0.00      SOLV
ATOM    844  OH2 TIP3  274      11.086   2.336   0.171  1.00  0.00      SOLV
ATOM    845  H1  TIP3  274      10.836   3.221  -0.172  1.00  0.00      SOLV
ATOM    846  H2  TIP3  274      11.990   2.508   0.454  1.00  0.00      SOLV
ATOM    847  OH2 TIP3  275       8.148   5.370   0.318  1.00  0.00      SOLV
ATOM    848  H1  TIP3  275       7.280   5.652  -0.042  1.00  0.00      SOLV
ATOM    849  H2  TIP3  275       8.168   5.875   1.150  1.00  0.00      SOLV
ATOM    850  OH2 TIP3  276      10.768   4.948  -0.519  1.00  0.00      SOLV
ATOM    851  H1  TIP3  276       9.852   5.138  -0.215  1.00  0.00      SOLV
ATOM    852  H2  TIP3  276      10.765   5.436  -1.374  1.00  0.00      SOLV
ATOM    853  OH2 TIP3  277       7.633   3.673  -3.099  1.00  0.00      SOLV
ATOM    854  H1  TIP3  277       7.701   3.227  -2.224  1.00  0.00      SOLV
ATOM    855  H2  TIP3  277       8.413   3.269  -3.540  1.00  0.00      SOLV
ATOM    856  OH2 TIP3  278       9.719   2.322  -4.228  1.00  0.00      SOLV
ATOM    857  H1  TIP3  278       9.612   1.392  -3.917  1.00  0.00      SOLV
ATOM    858  H2  TIP3  278      10.641   2.504  -3.936  1.00  0.00      SOLV
ATOM    859  OH2 TIP3  279      12.323   2.782  -3.346  1.00  0.00      SOLV
ATOM    860  H1  TIP3  279      12.914   2.053  -3.063  1.00  0.00      SOLV
ATOM    861  H2  TIP3  279      12.473   3.440  -2.665  1.00  0.00      SOLV
ATOM    862  OH2 TIP3  280       8.447 -12.935  -6.782  1.00  0.00      SOLV
ATOM    863  H1  TIP3  280       7.630 -13.283  -7.196  1.00  0.00      SOLV
ATOM    864  H2  TIP3  280       9.024 -13.715  -6.836  1.00  0.00      SOLV
ATOM    865  OH2 TIP3  281       6.777 -12.920 -11.045  1.00  0.00      SOLV
ATOM    866  H1  TIP3  281       7.518 -12.311 -11.264  1.00  0.00      SOLV
ATOM    867  H2  TIP3  281       6.303 -12.384 -10.388  1.00  0.00      SOLV
ATOM    868  OH2 TIP3  282      13.151 -12.745  -6.233  1.00  0.00      SOLV
ATOM    869  H1  TIP3  282      13.341 -11.782  -6.212  1.00  0.00      SOLV
ATOM    870  H2  TIP3  282      12.353 -12.798  -5.697  1.00  0.00      SOLV
ATOM    871  OH2 TIP3  283       6.779   3.256  -9.749  1.00  0.00      SOLV
ATOM    872  H1  TIP3  283       6.100   3.066 -10.410  1.00  0.00      SOLV
ATOM    873  H2  TIP3  283       6.783   4.234  -9.776  1.00  0.00      SOLV
ATOM    874  OH2 TIP3  284       8.851 -11.291 -11.597  1.00  0.00      SOLV
ATOM    875  H1  TIP3  284       9.071 -11.276 -12.533  1.00  0.00      SOLV
ATOM    876  H2  TIP3  284       9.677 -10.982 -11.173  1.00  0.00      SOLV
ATOM    877  OH2 TIP3  285       8.043 -11.631   3.006  1.00  0.00      SOLV
ATOM    878  H1  TIP3  285       7.289 -12.162   3.290  1.00  0.00      SOLV
ATOM    879  H2  TIP3  285       8.775 -12.085   3.475  1.00  0.00      SOLV
ATOM    880  OH2 TIP3  286       9.937 -12.955   4.601  1.00  0.00      SOLV
ATOM    881  H1  TIP3  286      10.868 -12.937   4.353  1.00  0.00      SOLV
ATOM    882  H2  TIP3  286       9.796 -13.929   4.654  1.00  0.00      SOLV
ATOM    883  OH2 TIP3  287       8.616   3.562 -12.156  1.00  0.00      SOLV
ATOM    884  H1  TIP3  287       8.224   4.316 -11.704  1.00  0.00      SOLV
ATOM    885  H2  TIP3  287       8.634   2.900 -11.453  1.00  0.00      SOLV
ATOM    886  OH2 TIP3  288     -13.365  12.025  -7.670  1.00  0.00      SOLV
ATOM    887  H1  TIP3  288     -13.686  12.839  -7.214  1.00  0.00      SOLV
ATOM    888  H2  TIP3  288     -13.598  11.343  -7.005  1.00  0.00      SOLV
ATOM    889  OH2 TIP3  289       4.753   8.442  -1.607  1.00  0.00      SOLV
ATOM    890  H1  TIP3  289       4.947   9.217  -1.037  1.00  0.00      SOLV
ATOM    891  H2  TIP3  289       5.337   8.621  -2.374  1.00  0.00      SOLV
ATOM    892  OH2 TIP3  290      -1.373  11.339  -2.640  1.00  0.00      SOLV
ATOM    893  H1  TIP3  290      -1.182  10.387  -2.548  1.00  0.00      SOLV
ATOM    894  H2  TIP3  290      -1.396  11.424  -3.615  1.00  0.00      SOLV
ATOM    895  OH2 TIP3  291      -7.279   9.504  -5.013  1.00  0.00      SOLV
ATOM    896  H1  TIP3  291      -7.480  10.359  -5.464  1.00  0.00      SOLV
ATOM    897  H2  TIP3  291      -7.854   8.904  -5.498  1.00  0.00      SOLV
ATOM    898  OH2 TIP3  292       0.008   9.554  -6.944  1.00  0.00      SOLV
ATOM    899  H1  TIP3  292       0.434   9.328  -6.084  1.00  0.00      SOLV
ATOM    900  H2  TIP3  292       0.728  10.023  -7.403  1.00  0.00      SOLV
ATOM    901  OH2 TIP3  293     -11.042  11.901  -4.346  1.00  0.00      SOLV
ATOM    902  H1  TIP3  293     -10.395  11.281  -3.944  1.00  0.00      SOLV
ATOM    903  H2  TIP3  293     -11.092  11.560  -5.250  1.00  0.00      SOLV
ATOM    904  OH2 TIP3  294       5.100  10.252   0.416  1.00  0.00      SOLV
ATOM    905  H1  TIP3  294       4.368  10.860   0.186  1.00  0.00      SOLV
ATOM    906  H2  TIP3  294       5.264  10.493   1.346  1.00  0.00      SOLV
ATOM    907  OH2 TIP3  295      -9.202   8.490  -1.017  1.00  0.00      SOLV
ATOM    908  H1  TIP3  295      -9.418   9.241  -1.607  1.00  0.00      SOLV
ATOM    909  H2  TIP3  295      -9.891   8.581  -0.329  1.00  0.00      SOLV
ATOM    910  OH2 TIP3  296       0.938   9.366  -4.396  1.00  0.00      SOLV
ATOM    911  H1  TIP3  296       0.334   9.019  -3.711  1.00  0.00      SOLV
ATOM    912  H2  TIP3  296       1.642   9.775  -3.852  1.00  0.00      SOLV
ATOM    913  OH2 TIP3  297      -9.113  10.357  -3.094  1.00  0.00      SOLV
ATOM    914  H1  TIP3  297      -8.623  10.967  -2.503  1.00  0.00      SOLV
ATOM    915  H2  TIP3  297      -8.385  10.040  -3.664  1.00  0.00      SOLV
ATOM    916  OH2 TIP3  298       2.239   7.985  -0.601  1.00  0.00      SOLV
ATOM    917  H1  TIP3  298       1.564   8.189  -1.262  1.00  0.00      SOLV
ATOM    918  H2  TIP3  298       3.068   8.104  -1.119  1.00  0.00      SOLV
ATOM    919  OH2 TIP3  299      -5.945   5.513  -3.967  1.00  0.00      SOLV
ATOM    920  H1  TIP3  299      -6.053   4.585  -3.670  1.00  0.00      SOLV
ATOM    921  H2  TIP3  299      -6.675   5.939  -3.465  1.00  0.00      SOLV
ATOM    922  OH2 TIP3  300      -3.297  12.856 -12.508  1.00  0.00      SOLV
ATOM    923  H1  TIP3  300      -2.816  13.341 -11.830  1.00  0.00      SOLV
ATOM    924  H2  TIP3  300      -2.633  12.249 -12.849  1.00  0.00      SOLV
ATOM    925  OH2 TIP3  301       0.940  13.356   1.106  1.00  0.00      SOLV
ATOM    926  H1  TIP3  301       0.591  14.208   1.398  1.00  0.00      SOLV
ATOM    927  H2  TIP3  301       0.146  12.995   0.646  1.00  0.00      SOLV
ATOM    928  OH2 TIP3  302       3.150   5.673 -10.696  1.00  0.00      SOLV
ATOM    929  H1  TIP3  302       2.267   5.922 -10.354  1.00  0.00      SOLV
ATOM    930  H2  TIP3  302       3.472   6.526 -11.049  1.00  0.00      SOLV
ATOM    931  OH2 TIP3  303       2.232  11.772   3.083  1.00  0.00      SOLV
ATOM    932  H1  TIP3  303       1.630  12.157   2.423  1.00  0.00      SOLV
ATOM    933  H2  TIP3  303       2.244  10.831   2.803  1.00  0.00      SOLV
ATOM    934  OH2 TIP3  304      -8.174   6.524  -2.688  1.00  0.00      SOLV
ATOM    935  H1  TIP3  304      -9.003   6.464  -3.208  1.00  0.00      SOLV
ATOM    936  H2  TIP3  304      -8.372   7.316  -2.146  1.00  0.00      SOLV
ATOM    937  OH2 TIP3  305      -3.228   6.200   0.478  1.00  0.00      SOLV
ATOM    938  H1  TIP3  305      -2.761   5.729   1.206  1.00  0.00      SOLV
ATOM    939  H2  TIP3  305      -4.164   6.118   0.759  1.00  0.00      SOLV
ATOM    940  OH2 TIP3  306      -0.347  10.294   1.599  1.00  0.00      SOLV
ATOM    941  H1  TIP3  306      -0.958  10.163   2.358  1.00  0.00      SOLV
ATOM    942  H2  TIP3  306      -0.801  10.980   1.071  1.00  0.00      SOLV
ATOM    943  OH2 TIP3  307      -3.423   8.974 -11.972  1.00  0.00      SOLV
ATOM    944  H1  TIP3  307      -3.967   8.706 -11.210  1.00  0.00      SOLV
ATOM    945  H2  TIP3  307      -4.147   9.086 -12.611  1.00  0.00      SOLV
ATOM    946  OH2 TIP3  308      -7.769  12.007  -1.386  1.00  0.00      SOLV
ATOM    947  H1  TIP3  308      -8.477  11.861  -0.715  1.00  0.00      SOLV
ATOM    948  H2  TIP3  308      -7.923  12.937  -1.652  1.00  0.00      SOLV
ATOM    949  OH2 TIP3  309      -8.224  11.533  -6.484  1.00  0.00      SOLV
ATOM    950  H1  TIP3  309      -9.158  11.608  -6.750  1.00  0.00      SOLV
ATOM    951  H2  TIP3  309      -7.804  11.458  -7.363  1.00  0.00      SOLV
ATOM    952  OH2 TIP3  310      -2.434  12.264  -7.781  1.00  0.00      SOLV
ATOM    953  H1  TIP3  310      -2.659  13.207  -7.843  1.00  0.00      SOLV
ATOM    954  H2  TIP3  310      -1.720  12.164  -8.444  1.00  0.00      SOLV
ATOM    955  OH2 TIP3  311      -3.083  12.477   3.089  1.00  0.00      SOLV
ATOM    956  H1  TIP3  311      -3.713  11.863   3.531  1.00  0.00      SOLV
ATOM    957  H2  TIP3  311      -2.330  12.417   3.696  1.00  0.00      SOLV
ATOM    958  OH2 TIP3  312      -1.412  11.280  -5.352  1.00  0.00      SOLV
ATOM    959  H1  TIP3  312      -1.926  11.737  -6.048  1.00  0.00      SOLV
ATOM    960  H2  TIP3  312      -1.013  10.569  -5.896  1.00  0.00      SOLV
ATOM    961  OH2 TIP3  313      -9.858  11.263   0.220  1.00  0.00      SOLV
ATOM    962  H1  TIP3  313      -9.992  11.836   0.980  1.00  0.00      SOLV
ATOM    963  H2  TIP3  313     -10.338  10.457   0.500  1.00  0.00      SOLV
ATOM    964  OH2 TIP3  314      -6.064   9.325 -12.888  1.00  0.00      SOLV
ATOM    965  H1  TIP3  314      -6.686   9.072 -12.188  1.00  0.00      SOLV
ATOM    966  H2  TIP3  314      -6.609   9.906 -13.442  1.00  0.00      SOLV
ATOM    967  OH2 TIP3  315     -13.463   9.684  -6.109  1.00  0.00      SOLV
ATOM    968  H1  TIP3  315     -12.916   9.453  -5.323  1.00  0.00      SOLV
ATOM    969  H2  TIP3  315     -13.055   9.092  -6.768  1.00  0.00      SOLV
ATOM    970  OH2 TIP3  316     -12.376   9.955 -10.204  1.00  0.00      SOLV
ATOM    971  H1  TIP3  316     -11.853  10.406 -10.907  1.00  0.00      SOLV
ATOM    972  H2  TIP3  316     -13.229  10.401 -10.316  1.00  0.00      SOLV
ATOM    973  OH2 TIP3  317      -1.259  12.302  -0.081  1.00  0.00      SOLV
ATOM    974  H1  TIP3  317      -1.214  12.039  -1.030  1.00  0.00      SOLV
ATOM    975  H2  TIP3  317      -2.224  12.280   0.046  1.00  0.00      SOLV
ATOM    976  OH2 TIP3  318      -4.670   8.995  -5.795  1.00  0.00      SOLV
ATOM    977  H1  TIP3  318      -5.524   9.204  -5.353  1.00  0.00      SOLV
ATOM    978  H2  TIP3  318      -4.108   8.757  -5.032  1.00  0.00      SOLV
ATOM    979  OH2 TIP3  319     -10.716  11.500  -7.606  1.00  0.00      SOLV
ATOM    980  H1  TIP3  319     -11.685  11.639  -7.701  1.00  0.00      SOLV
ATOM    981  H2  TIP3  319     -10.529  11.047  -8.440  1.00  0.00      SOLV
ATOM    982  OH2 TIP3  320      -7.269  10.858  -8.995  1.00  0.00      SOLV
ATOM    983  H1  TIP3  320      -6.311  10.900  -8.798  1.00  0.00      SOLV
ATOM    984  H2  TIP3  320      -7.329  11.389  -9.826  1.00  0.00      SOLV
ATOM    985  OH2 TIP3  321      -0.878   8.617  -2.411  1.00  0.00      SOLV
ATOM    986  H1  TIP3  321      -1.328   8.606  -1.537  1.00  0.00      SOLV
ATOM    987  H2  TIP3  321      -1.559   8.184  -2.965  1.00  0.00      SOLV
ATOM    988  OH2 TIP3  322      -7.595  12.057 -11.387  1.00  0.00      SOLV
ATOM    989  H1  TIP3  322      -8.313  11.898 -12.007  1.00  0.00      SOLV
ATOM    990  H2  TIP3  322      -7.032  12.678 -11.890  1.00  0.00      SOLV
ATOM    991  OH2 TIP3  323      -4.466  11.766  -3.653  1.00  0.00      SOLV
ATOM    992  H1  TIP3  323      -3.557  11.454  -3.706  1.00  0.00      SOLV
ATOM    993  H2  TIP3  323      -4.829  11.193  -2.947  1.00  0.00      SOLV
ATOM    994  OH2 TIP3  324      -5.485  10.547  -1.413  1.00  0.00      SOLV
ATOM    995  H1  TIP3  324      -6.236  11.179  -1.358  1.00  0.00      SOLV
ATOM    996  H2  TIP3  324      -4.880  10.879  -0.714  1.00  0.00      SOLV
ATOM    997  OH2 TIP3  325      -0.833   9.275 -10.899  1.00  0.00      SOLV
ATOM    998  H1  TIP3  325      -1.630   9.120 -11.451  1.00  0.00      SOLV
ATOM    999  H2  TIP3  325      -0.924  10.218 -10.674  1.00  0.00      SOLV
ATOM   1000  OH2 TIP3  326      -0.347  11.893  -9.702  1.00  0.00      SOLV
ATOM   1001  H1  TIP3  326       0.457  11.457  -9.365  1.00  0.00      SOLV
ATOM   1002  H2  TIP3  326      -0.006  12.791  -9.888  1.00  0.00      SOLV
ATOM   1003  OH2 TIP3  327       4.267  11.777 -10.013  1.00  0.00      SOLV
ATOM   1004  H1  TIP3  327       4.045  11.554 -10.956  1.00  0.00      SOLV
ATOM   1005  H2  TIP3  327       3.984  12.722 -10.026  1.00  0.00      SOLV
ATOM   1006  OH2 TIP3  328     -11.048   8.959   1.173  1.00  0.00      SOLV
ATOM   1007  H1  TIP3  328     -11.737   9.399   1.710  1.00  0.00      SOLV
ATOM   1008  H2  TIP3  328     -10.919   8.143   1.697  1.00  0.00      SOLV
ATOM   1009  OH2 TIP3  329      -2.172   8.713   0.036  1.00  0.00      SOLV
ATOM   1010  H1  TIP3  329      -1.498   8.774   0.732  1.00  0.00      SOLV
ATOM   1011  H2  TIP3  329      -2.573   7.831   0.208  1.00  0.00      SOLV
ATOM   1012  OH2 TIP3  330      -1.439   7.930  -8.566  1.00  0.00      SOLV
ATOM   1013  H1  TIP3  330      -1.251   8.383  -9.417  1.00  0.00      SOLV
ATOM   1014  H2  TIP3  330      -0.978   8.530  -7.934  1.00  0.00      SOLV
ATOM   1015  OH2 TIP3  331      -4.630  10.605  -8.072  1.00  0.00      SOLV
ATOM   1016  H1  TIP3  331      -3.874  11.225  -7.988  1.00  0.00      SOLV
ATOM   1017  H2  TIP3  331      -4.622  10.190  -7.185  1.00  0.00      SOLV
ATOM   1018  OH2 TIP3  332      -3.707  11.168   0.584  1.00  0.00      SOLV
ATOM   1019  H1  TIP3  332      -3.556  11.443   1.507  1.00  0.00      SOLV
ATOM   1020  H2  TIP3  332      -3.265  10.298   0.534  1.00  0.00      SOLV
ATOM   1021  OH2 TIP3  333      -3.915   7.154  -7.680  1.00  0.00      SOLV
ATOM   1022  H1  TIP3  333      -4.063   7.857  -7.009  1.00  0.00      SOLV
ATOM   1023  H2  TIP3  333      -3.001   7.385  -7.977  1.00  0.00      SOLV
ATOM   1024  OH2 TIP3  334      -7.675   8.600 -10.539  1.00  0.00      SOLV
ATOM   1025  H1  TIP3  334      -7.771   9.416 -10.006  1.00  0.00      SOLV
ATOM   1026  H2  TIP3  334      -6.746   8.380 -10.306  1.00  0.00      SOLV
ATOM   1027  OH2 TIP3  335       2.154   9.338   1.810  1.00  0.00      SOLV
ATOM   1028  H1  TIP3  335       1.202   9.583   1.770  1.00  0.00      SOLV
ATOM   1029  H2  TIP3  335       2.268   8.975   0.914  1.00  0.00      SOLV
ATOM   1030  OH2 TIP3  336       0.970  12.588  -4.293  1.00  0.00      SOLV
ATOM   1031  H1  TIP3  336       0.285  11.976  -4.616  1.00  0.00      SOLV
ATOM   1032  H2  TIP3  336       1.550  11.967  -3.799  1.00  0.00      SOLV
ATOM   1033  OH2 TIP3  337     -11.368  11.617 -12.110  1.00  0.00      SOLV
ATOM   1034  H1  TIP3  337     -11.610  12.524 -11.832  1.00  0.00      SOLV
ATOM   1035  H2  TIP3  337     -11.136  11.737 -13.042  1.00  0.00      SOLV
ATOM   1036  OH2 TIP3  338     -10.596   6.181  -3.939  1.00  0.00      SOLV
ATOM   1037  H1  TIP3  338     -10.662   5.787  -4.818  1.00  0.00      SOLV
ATOM   1038  H2  TIP3  338     -10.936   5.441  -3.390  1.00  0.00      SOLV
ATOM   1039  OH2 TIP3  339      -7.559  12.936   1.665  1.00  0.00      SOLV
ATOM   1040  H1  TIP3  339      -7.862  13.647   2.236  1.00  0.00      SOLV
ATOM   1041  H2  TIP3  339      -6.917  13.405   1.093  1.00  0.00      SOLV
ATOM   1042  OH2 TIP3  340      -5.929  13.335 -13.214  1.00  0.00      SOLV
ATOM   1043  H1  TIP3  340      -6.179  12.522 -13.692  1.00  0.00      SOLV
ATOM   1044  H2  TIP3  340      -4.991  13.167 -12.966  1.00  0.00      SOLV
ATOM   1045  OH2 TIP3  341      -7.044  10.399   2.509  1.00  0.00      SOLV
ATOM   1046  H1  TIP3  341      -6.947   9.775   1.759  1.00  0.00      SOLV
ATOM   1047  H2  TIP3  341      -7.222  11.246   2.041  1.00  0.00      SOLV
ATOM   1048  OH2 TIP3  342      -6.766   8.736   0.250  1.00  0.00      SOLV
ATOM   1049  H1  TIP3  342      -6.236   9.211  -0.424  1.00  0.00      SOLV
ATOM   1050  H2  TIP3  342      -7.635   8.674  -0.199  1.00  0.00      SOLV
ATOM   1051  OH2 TIP3  343      -0.855  11.735   5.066  1.00  0.00      SOLV
ATOM   1052  H1  TIP3  343      -1.109  10.843   4.755  1.00  0.00      SOLV
ATOM   1053  H2  TIP3  343       0.084  11.750   4.838  1.00  0.00      SOLV
ATOM   1054  OH2 TIP3  344      -8.624  11.103   4.691  1.00  0.00      SOLV
ATOM   1055  H1  TIP3  344      -9.372  10.466   4.655  1.00  0.00      SOLV
ATOM   1056  H2  TIP3  344      -8.113  10.834   3.894  1.00  0.00      SOLV
ATOM   1057  OH2 TIP3  345      -6.037   6.141   0.806  1.00  0.00      SOLV
ATOM   1058  H1  TIP3  345      -6.277   7.086   0.682  1.00  0.00      SOLV
ATOM   1059  H2  TIP3  345      -6.800   5.691   0.397  1.00  0.00      SOLV
ATOM   1060  OH2 TIP3  346      -4.660  10.436   3.978  1.00  0.00      SOLV
ATOM   1061  H1  TIP3  346      -4.968  10.030   4.807  1.00  0.00      SOLV
ATOM   1062  H2  TIP3  346      -5.491  10.398   3.460  1.00  0.00      SOLV
ATOM   1063  OH2 TIP3  347      -1.994   9.606   3.618  1.00  0.00      SOLV
ATOM   1064  H1  TIP3  347      -2.957   9.605   3.804  1.00  0.00      SOLV
ATOM   1065  H2  TIP3  347      -1.672   8.870   4.173  1.00  0.00      SOLV
ATOM   1066  OH2 TIP3  348      -0.248   8.232   5.388  1.00  0.00      SOLV
ATOM   1067  H1  TIP3  348      -0.294   7.278   5.158  1.00  0.00      SOLV
ATOM   1068  H2  TIP3  348      -0.544   8.249   6.314  1.00  0.00      SOLV
ATOM   1069  OH2 TIP3  349     -10.479   9.028   4.631  1.00  0.00      SOLV
ATOM   1070  H1  TIP3  349     -10.514   8.242   4.058  1.00  0.00      SOLV
ATOM   1071  H2  TIP3  349     -10.366   8.606   5.509  1.00  0.00      SOLV
ATOM   1072  OH2 TIP3  350      -6.243   5.502   3.472  1.00  0.00      SOLV
ATOM   1073  H1  TIP3  350      -5.590   4.765   3.501  1.00  0.00      SOLV
ATOM   1074  H2  TIP3  350      -6.142   5.738   2.527  1.00  0.00      SOLV
ATOM   1075  OH2 TIP3  351      -4.874   7.484   4.891  1.00  0.00      SOLV
ATOM   1076  H1  TIP3  351      -5.284   6.710   4.461  1.00  0.00      SOLV
ATOM   1077  H2  TIP3  351      -5.662   8.021   5.113  1.00  0.00      SOLV
ATOM   1078  OH2 TIP3  352       3.500  11.203 -12.507  1.00  0.00      SOLV
ATOM   1079  H1  TIP3  352       3.282  11.795 -13.250  1.00  0.00      SOLV
ATOM   1080  H2  TIP3  352       2.960  10.422 -12.727  1.00  0.00      SOLV
ATOM   1081  OH2 TIP3  353       1.463  13.190  -7.188  1.00  0.00      SOLV
ATOM   1082  H1  TIP3  353       1.758  12.289  -7.405  1.00  0.00      SOLV
ATOM   1083  H2  TIP3  353       1.936  13.358  -6.358  1.00  0.00      SOLV
ATOM   1084  OH2 TIP3  354       4.638  12.450   4.116  1.00  0.00      SOLV
ATOM   1085  H1  TIP3  354       3.771  12.305   3.675  1.00  0.00      SOLV
ATOM   1086  H2  TIP3  354       5.168  11.724   3.724  1.00  0.00      SOLV
ATOM   1087  OH2 TIP3  355       1.658   9.123 -12.731  1.00  0.00      SOLV
ATOM   1088  H1  TIP3  355       2.374   8.502 -12.508  1.00  0.00      SOLV
ATOM   1089  H2  TIP3  355       1.012   8.954 -12.022  1.00  0.00      SOLV
ATOM   1090  OH2 TIP3  356       2.085  10.676  -8.508  1.00  0.00      SOLV
ATOM   1091  H1  TIP3  356       2.361   9.730  -8.496  1.00  0.00      SOLV
ATOM   1092  H2  TIP3  356       2.845  11.049  -8.998  1.00  0.00      SOLV
ATOM   1093  OH2 TIP3  357       2.629  10.938  -2.842  1.00  0.00      SOLV
ATOM   1094  H1  TIP3  357       3.565  11.222  -2.969  1.00  0.00      SOLV
ATOM   1095  H2  TIP3  357       2.565  11.088  -1.880  1.00  0.00      SOLV
ATOM   1096  OH2 TIP3  358       2.910  11.945  -0.288  1.00  0.00      SOLV
ATOM   1097  H1  TIP3  358       2.135  12.361   0.141  1.00  0.00      SOLV
ATOM   1098  H2  TIP3  358       3.312  12.690  -0.757  1.00  0.00      SOLV
ATOM   1099  OH2 TIP3  359     -12.509  10.261   3.322  1.00  0.00      SOLV
ATOM   1100  H1  TIP3  359     -11.811   9.899   3.904  1.00  0.00      SOLV
ATOM   1101  H2  TIP3  359     -13.276  10.249   3.915  1.00  0.00      SOLV
ATOM   1102  OH2 TIP3  360       5.093   6.102   5.196  1.00  0.00      SOLV
ATOM   1103  H1  TIP3  360       5.809   5.594   4.754  1.00  0.00      SOLV
ATOM   1104  H2  TIP3  360       4.978   6.838   4.554  1.00  0.00      SOLV
ATOM   1105  OH2 TIP3  361       2.900   8.045  -8.373  1.00  0.00      SOLV
ATOM   1106  H1  TIP3  361       3.064   7.617  -7.505  1.00  0.00      SOLV
ATOM   1107  H2  TIP3  361       2.205   7.446  -8.723  1.00  0.00      SOLV
ATOM   1108  OH2 TIP3  362     -11.717   8.776  -4.242  1.00  0.00      SOLV
ATOM   1109  H1  TIP3  362     -11.274   7.946  -3.984  1.00  0.00      SOLV
ATOM   1110  H2  TIP3  362     -11.780   9.258  -3.399  1.00  0.00      SOLV
ATOM   1111  OH2 TIP3  363     -12.945  10.865  -2.426  1.00  0.00      SOLV
ATOM   1112  H1  TIP3  363     -12.372  11.430  -2.965  1.00  0.00      SOLV
ATOM   1113  H2  TIP3  363     -13.713  11.433  -2.275  1.00  0.00      SOLV
ATOM   1114  OH2 TIP3  364       4.400   8.007   3.369  1.00  0.00      SOLV
ATOM   1115  H1  TIP3  364       3.582   8.440   3.698  1.00  0.00      SOLV
ATOM   1116  H2  TIP3  364       4.053   7.552   2.576  1.00  0.00      SOLV
ATOM   1117  OH2 TIP3  365       4.285   8.072 -11.808  1.00  0.00      SOLV
ATOM   1118  H1  TIP3  365       4.857   8.090 -12.603  1.00  0.00      SOLV
ATOM   1119  H2  TIP3  365       4.819   8.651 -11.236  1.00  0.00      SOLV
ATOM   1120  OH2 TIP3  366     -12.863   8.111  -8.313  1.00  0.00      SOLV
ATOM   1121  H1  TIP3  366     -13.817   8.180  -8.424  1.00  0.00      SOLV
ATOM   1122  H2  TIP3  366     -12.551   8.815  -8.931  1.00  0.00      SOLV
ATOM   1123  OH2 TIP3  367       3.327   6.376   1.386  1.00  0.00      SOLV
ATOM   1124  H1  TIP3  367       2.956   7.110   0.858  1.00  0.00      SOLV
ATOM   1125  H2  TIP3  367       2.780   5.656   0.990  1.00  0.00      SOLV
ATOM   1126  OH2 TIP3  368      -2.851   7.571  -4.141  1.00  0.00      SOLV
ATOM   1127  H1  TIP3  368      -3.417   6.790  -4.120  1.00  0.00      SOLV
ATOM   1128  H2  TIP3  368      -2.060   7.220  -4.611  1.00  0.00      SOLV
ATOM   1129  OH2 TIP3  369       1.916   5.817  -4.180  1.00  0.00      SOLV
ATOM   1130  H1  TIP3  369       2.527   6.363  -4.721  1.00  0.00      SOLV
ATOM   1131  H2  TIP3  369       1.053   6.217  -4.389  1.00  0.00      SOLV
ATOM   1132  OH2 TIP3  370       3.652   6.844  -6.012  1.00  0.00      SOLV
ATOM   1133  H1  TIP3  370       4.358   6.187  -6.189  1.00  0.00      SOLV
ATOM   1134  H2  TIP3  370       4.202   7.646  -5.855  1.00  0.00      SOLV
ATOM   1135  OH2 TIP3  371     -12.035   6.209 -10.236  1.00  0.00      SOLV
ATOM   1136  H1  TIP3  371     -11.310   6.663 -10.732  1.00  0.00      SOLV
ATOM   1137  H2  TIP3  371     -12.184   6.838  -9.506  1.00  0.00      SOLV
ATOM   1138  OH2 TIP3  372      -6.398   6.370  -6.627  1.00  0.00      SOLV
ATOM   1139  H1  TIP3  372      -5.541   6.681  -6.981  1.00  0.00      SOLV
ATOM   1140  H2  TIP3  372      -6.154   6.170  -5.695  1.00  0.00      SOLV
ATOM   1141  OH2 TIP3  373      -0.703   6.308  -5.265  1.00  0.00      SOLV
ATOM   1142  H1  TIP3  373      -0.442   6.074  -6.165  1.00  0.00      SOLV
ATOM   1143  H2  TIP3  373      -1.072   5.449  -4.946  1.00  0.00      SOLV
ATOM   1144  OH2 TIP3  374       0.882   6.384  -9.200  1.00  0.00      SOLV
ATOM   1145  H1  TIP3  374       0.054   6.892  -9.119  1.00  0.00      SOLV
ATOM   1146  H2  TIP3  374       0.529   5.489  -9.001  1.00  0.00      SOLV
ATOM   1147  OH2 TIP3  375     -10.000   7.470 -11.513  1.00  0.00      SOLV
ATOM   1148  H1  TIP3  375      -9.764   7.402 -12.446  1.00  0.00      SOLV
ATOM   1149  H2  TIP3  375      -9.221   7.942 -11.152  1.00  0.00      SOLV
ATOM   1150  OH2 TIP3  376      -5.060   8.501  -9.776  1.00  0.00      SOLV
ATOM   1151  H1  TIP3  376      -4.733   7.828  -9.151  1.00  0.00      SOLV
ATOM   1152  H2  TIP3  376      -4.901   9.318  -9.255  1.00  0.00      SOLV
ATOM   1153  OH2 TIP3  377     -10.619   6.743   2.842  1.00  0.00      SOLV
ATOM   1154  H1  TIP3  377     -11.144   6.014   3.239  1.00  0.00      SOLV
ATOM   1155  H2  TIP3  377      -9.770   6.582   3.313  1.00  0.00      SOLV
ATOM   1156  OH2 TIP3  378      -8.700   6.030   4.631  1.00  0.00      SOLV
ATOM   1157  H1  TIP3  378      -7.796   5.858   4.277  1.00  0.00      SOLV
ATOM   1158  H2  TIP3  378      -8.900   5.178   5.065  1.00  0.00      SOLV
ATOM   1159  OH2 TIP3  379      -0.079   5.605   4.540  1.00  0.00      SOLV
ATOM   1160  H1  TIP3  379      -0.268   5.125   5.383  1.00  0.00      SOLV
ATOM   1161  H2  TIP3  379       0.874   5.410   4.428  1.00  0.00      SOLV
ATOM   1162  OH2 TIP3  380       6.234  12.926  -8.104  1.00  0.00      SOLV
ATOM   1163  H1  TIP3  380       6.073  13.848  -8.401  1.00  0.00      SOLV
ATOM   1164  H2  TIP3  380       5.581  12.455  -8.649  1.00  0.00      SOLV
ATOM   1165  OH2 TIP3  381      10.730   9.291  -5.196  1.00  0.00      SOLV
ATOM   1166  H1  TIP3  381      11.617   9.546  -5.498  1.00  0.00      SOLV
ATOM   1167  H2  TIP3  381      10.287   9.025  -6.023  1.00  0.00      SOLV
ATOM   1168  OH2 TIP3  382       7.497  12.046  -4.186  1.00  0.00      SOLV
ATOM   1169  H1  TIP3  382       8.048  11.383  -3.725  1.00  0.00      SOLV
ATOM   1170  H2  TIP3  382       7.586  11.732  -5.108  1.00  0.00      SOLV
ATOM   1171  OH2 TIP3  383       9.810   8.556  -0.946  1.00  0.00      SOLV
ATOM   1172  H1  TIP3  383       9.493   9.189  -1.618  1.00  0.00      SOLV
ATOM   1173  H2  TIP3  383       9.071   8.600  -0.302  1.00  0.00      SOLV
ATOM   1174  OH2 TIP3  384       9.181  10.130  -3.133  1.00  0.00      SOLV
ATOM   1175  H1  TIP3  384       9.790  10.751  -2.666  1.00  0.00      SOLV
ATOM   1176  H2  TIP3  384       9.776   9.811  -3.857  1.00  0.00      SOLV
ATOM   1177  OH2 TIP3  385      10.577   6.550  -2.684  1.00  0.00      SOLV
ATOM   1178  H1  TIP3  385       9.761   6.574  -3.220  1.00  0.00      SOLV
ATOM   1179  H2  TIP3  385      10.443   7.335  -2.117  1.00  0.00      SOLV
ATOM   1180  OH2 TIP3  386      10.693  11.793  -1.632  1.00  0.00      SOLV
ATOM   1181  H1  TIP3  386      10.114  11.751  -0.839  1.00  0.00      SOLV
ATOM   1182  H2  TIP3  386      10.728  12.759  -1.785  1.00  0.00      SOLV
ATOM   1183  OH2 TIP3  387      10.708  11.899  -6.973  1.00  0.00      SOLV
ATOM   1184  H1  TIP3  387       9.918  11.390  -6.729  1.00  0.00      SOLV
ATOM   1185  H2  TIP3  387      11.011  11.454  -7.775  1.00  0.00      SOLV
ATOM   1186  OH2 TIP3  388       8.867  11.468   0.407  1.00  0.00      SOLV
ATOM   1187  H1  TIP3  388       8.821  11.735   1.328  1.00  0.00      SOLV
ATOM   1188  H2  TIP3  388       8.430  10.595   0.441  1.00  0.00      SOLV
ATOM   1189  OH2 TIP3  389      12.012   9.370 -12.738  1.00  0.00      SOLV
ATOM   1190  H1  TIP3  389      11.304   9.583 -12.114  1.00  0.00      SOLV
ATOM   1191  H2  TIP3  389      11.749   9.957 -13.478  1.00  0.00      SOLV
ATOM   1192  OH2 TIP3  390       5.453   8.831  -5.901  1.00  0.00      SOLV
ATOM   1193  H1  TIP3  390       5.987   8.914  -5.085  1.00  0.00      SOLV
ATOM   1194  H2  TIP3  390       6.096   8.575  -6.575  1.00  0.00      SOLV
ATOM   1195  OH2 TIP3  391       6.116   9.857 -10.514  1.00  0.00      SOLV
ATOM   1196  H1  TIP3  391       6.813  10.365 -10.971  1.00  0.00      SOLV
ATOM   1197  H2  TIP3  391       5.488  10.575 -10.288  1.00  0.00      SOLV
ATOM   1198  OH2 TIP3  392       8.076  11.050  -6.764  1.00  0.00      SOLV
ATOM   1199  H1  TIP3  392       7.389  11.370  -7.376  1.00  0.00      SOLV
ATOM   1200  H2  TIP3  392       8.254  10.141  -7.083  1.00  0.00      SOLV
ATOM   1201  OH2 TIP3  393      12.007  10.951  -9.580  1.00  0.00      SOLV
ATOM   1202  H1  TIP3  393      12.580  11.599  -9.120  1.00  0.00      SOLV
ATOM   1203  H2  TIP3  393      11.579  11.497 -10.287  1.00  0.00      SOLV
ATOM   1204  OH2 TIP3  394      10.667  11.826 -11.704  1.00  0.00      SOLV
ATOM   1205  H1  TIP3  394       9.696  11.734 -11.774  1.00  0.00      SOLV
ATOM   1206  H2  TIP3  394      10.938  11.885 -12.633  1.00  0.00      SOLV
ATOM   1207  OH2 TIP3  395       9.154   8.554  -7.442  1.00  0.00      SOLV
ATOM   1208  H1  TIP3  395       8.764   7.696  -7.163  1.00  0.00      SOLV
ATOM   1209  H2  TIP3  395       9.477   8.329  -8.327  1.00  0.00      SOLV
ATOM   1210  OH2 TIP3  396       7.636   8.993   0.672  1.00  0.00      SOLV
ATOM   1211  H1  TIP3  396       6.717   9.303   0.542  1.00  0.00      SOLV
ATOM   1212  H2  TIP3  396       7.547   8.362   1.405  1.00  0.00      SOLV
ATOM   1213  OH2 TIP3  397      10.957   8.542 -10.367  1.00  0.00      SOLV
ATOM   1214  H1  TIP3  397      11.150   9.428  -9.993  1.00  0.00      SOLV
ATOM   1215  H2  TIP3  397      11.751   8.407 -10.907  1.00  0.00      SOLV
ATOM   1216  OH2 TIP3  398       7.878  11.738 -11.917  1.00  0.00      SOLV
ATOM   1217  H1  TIP3  398       7.495  12.577 -11.563  1.00  0.00      SOLV
ATOM   1218  H2  TIP3  398       7.649  11.807 -12.854  1.00  0.00      SOLV
ATOM   1219  OH2 TIP3  399       8.110   6.368  -3.922  1.00  0.00      SOLV
ATOM   1220  H1  TIP3  399       8.156   6.242  -4.893  1.00  0.00      SOLV
ATOM   1221  H2  TIP3  399       7.859   5.476  -3.613  1.00  0.00      SOLV
ATOM   1222  OH2 TIP3  400      11.365  13.035   1.777  1.00  0.00      SOLV
ATOM   1223  H1  TIP3  400      10.597  13.594   1.634  1.00  0.00      SOLV
ATOM   1224  H2  TIP3  400      11.999  13.466   1.161  1.00  0.00      SOLV
ATOM   1225  OH2 TIP3  401      11.260  10.376   2.456  1.00  0.00      SOLV
ATOM   1226  H1  TIP3  401      11.703   9.807   1.801  1.00  0.00      SOLV
ATOM   1227  H2  TIP3  401      11.430  11.270   2.084  1.00  0.00      SOLV
ATOM   1228  OH2 TIP3  402      12.318   8.746   0.191  1.00  0.00      SOLV
ATOM   1229  H1  TIP3  402      12.797   9.305  -0.436  1.00  0.00      SOLV
ATOM   1230  H2  TIP3  402      11.427   8.705  -0.220  1.00  0.00      SOLV
ATOM   1231  OH2 TIP3  403       9.809  11.305   4.553  1.00  0.00      SOLV
ATOM   1232  H1  TIP3  403       9.133  10.603   4.628  1.00  0.00      SOLV
ATOM   1233  H2  TIP3  403      10.309  10.987   3.767  1.00  0.00      SOLV
ATOM   1234  OH2 TIP3  404      13.109   6.064   0.696  1.00  0.00      SOLV
ATOM   1235  H1  TIP3  404      12.922   7.022   0.591  1.00  0.00      SOLV
ATOM   1236  H2  TIP3  404      12.313   5.678   0.280  1.00  0.00      SOLV
ATOM   1237  OH2 TIP3  405       8.049   9.102   4.488  1.00  0.00      SOLV
ATOM   1238  H1  TIP3  405       8.125   8.316   3.915  1.00  0.00      SOLV
ATOM   1239  H2  TIP3  405       8.238   8.704   5.364  1.00  0.00      SOLV
ATOM   1240  OH2 TIP3  406      12.779   5.554   3.431  1.00  0.00      SOLV
ATOM   1241  H1  TIP3  406      13.630   5.148   3.680  1.00  0.00      SOLV
ATOM   1242  H2  TIP3  406      12.919   5.711   2.476  1.00  0.00      SOLV
ATOM   1243  OH2 TIP3  407       5.941  10.253   3.131  1.00  0.00      SOLV
ATOM   1244  H1  TIP3  407       6.748   9.983   3.618  1.00  0.00      SOLV
ATOM   1245  H2  TIP3  407       5.406   9.435   3.234  1.00  0.00      SOLV
ATOM   1246  OH2 TIP3  408       6.824   8.736  -3.495  1.00  0.00      SOLV
ATOM   1247  H1  TIP3  408       7.245   7.852  -3.578  1.00  0.00      SOLV
ATOM   1248  H2  TIP3  408       7.612   9.286  -3.312  1.00  0.00      SOLV
ATOM   1249  OH2 TIP3  409       5.115  12.066  -2.691  1.00  0.00      SOLV
ATOM   1250  H1  TIP3  409       5.972  12.042  -3.156  1.00  0.00      SOLV
ATOM   1251  H2  TIP3  409       5.271  12.831  -2.094  1.00  0.00      SOLV
ATOM   1252  OH2 TIP3  410       5.713   7.835  -8.751  1.00  0.00      SOLV
ATOM   1253  H1  TIP3  410       4.753   7.964  -8.627  1.00  0.00      SOLV
ATOM   1254  H2  TIP3  410       5.941   8.605  -9.313  1.00  0.00      SOLV
ATOM   1255  OH2 TIP3  411       5.561   6.134  -0.349  1.00  0.00      SOLV
ATOM   1256  H1  TIP3  411       4.870   6.133   0.340  1.00  0.00      SOLV
ATOM   1257  H2  TIP3  411       5.341   6.963  -0.827  1.00  0.00      SOLV
ATOM   1258  OH2 TIP3  412       8.130   6.019  -6.674  1.00  0.00      SOLV
ATOM   1259  H1  TIP3  412       7.187   5.780  -6.810  1.00  0.00      SOLV
ATOM   1260  H2  TIP3  412       8.544   5.138  -6.791  1.00  0.00      SOLV
ATOM   1261  OH2 TIP3  413       6.706   5.880 -10.512  1.00  0.00      SOLV
ATOM   1262  H1  TIP3  413       7.376   6.452 -10.952  1.00  0.00      SOLV
ATOM   1263  H2  TIP3  413       6.347   6.512  -9.850  1.00  0.00      SOLV
ATOM   1264  OH2 TIP3  414      12.373   5.974  -6.479  1.00  0.00      SOLV
ATOM   1265  H1  TIP3  414      13.230   6.379  -6.648  1.00  0.00      SOLV
ATOM   1266  H2  TIP3  414      12.158   6.287  -5.590  1.00  0.00      SOLV
ATOM   1267  OH2 TIP3  415       8.669   7.316 -11.718  1.00  0.00      SOLV
ATOM   1268  H1  TIP3  415       8.933   7.168 -12.636  1.00  0.00      SOLV
ATOM   1269  H2  TIP3  415       9.438   7.769 -11.325  1.00  0.00      SOLV
ATOM   1270  OH2 TIP3  416       8.114   6.769   2.814  1.00  0.00      SOLV
ATOM   1271  H1  TIP3  416       7.560   6.014   3.105  1.00  0.00      SOLV
ATOM   1272  H2  TIP3  416       8.951   6.544   3.276  1.00  0.00      SOLV
ATOM   1273  OH2 TIP3  417      10.211   5.992   4.537  1.00  0.00      SOLV
ATOM   1274  H1  TIP3  417      11.111   5.935   4.147  1.00  0.00      SOLV
ATOM   1275  H2  TIP3  417      10.137   5.094   4.901  1.00  0.00      SOLV
ATOM   1276  OH2 TIP3  418      -1.130  -3.240  11.993  1.00  0.00      SOLV
ATOM   1277  H1  TIP3  418      -1.346  -2.293  11.833  1.00  0.00      SOLV
ATOM   1278  H2  TIP3  418      -1.832  -3.650  11.444  1.00  0.00      SOLV
ATOM   1279  OH2 TIP3  419     -13.113  -6.867  11.251  1.00  0.00      SOLV
ATOM   1280  H1  TIP3  419     -12.563  -6.145  11.626  1.00  0.00      SOLV
ATOM   1281  H2  TIP3  419     -13.894  -6.790  11.827  1.00  0.00      SOLV
ATOM   1282  OH2 TIP3  420     -11.956  -4.794  12.472  1.00  0.00      SOLV
ATOM   1283  H1  TIP3  420     -11.934  -4.572  13.428  1.00  0.00      SOLV
ATOM   1284  H2  TIP3  420     -12.304  -3.983  12.085  1.00  0.00      SOLV
ATOM   1285  OH2 TIP3  421      -0.035  -9.289  11.891  1.00  0.00      SOLV
ATOM   1286  H1  TIP3  421       0.101  -9.459  12.834  1.00  0.00      SOLV
ATOM   1287  H2  TIP3  421       0.784  -8.819  11.682  1.00  0.00      SOLV
ATOM   1288  OH2 TIP3  422      -1.641  -0.791  10.826  1.00  0.00      SOLV
ATOM   1289  H1  TIP3  422      -1.860  -0.790   9.874  1.00  0.00      SOLV
ATOM   1290  H2  TIP3  422      -2.141   0.009  11.098  1.00  0.00      SOLV
ATOM   1291  OH2 TIP3  423     -11.826  -0.808   9.693  1.00  0.00      SOLV
ATOM   1292  H1  TIP3  423     -12.064  -0.436   8.826  1.00  0.00      SOLV
ATOM   1293  H2  TIP3  423     -11.702  -0.010  10.242  1.00  0.00      SOLV
ATOM   1294  OH2 TIP3  424      -0.309   2.627  11.974  1.00  0.00      SOLV
ATOM   1295  H1  TIP3  424       0.104   1.737  12.060  1.00  0.00      SOLV
ATOM   1296  H2  TIP3  424       0.293   3.142  12.542  1.00  0.00      SOLV
ATOM   1297  OH2 TIP3  425       0.709   0.130  12.107  1.00  0.00      SOLV
ATOM   1298  H1  TIP3  425      -0.056  -0.312  11.690  1.00  0.00      SOLV
ATOM   1299  H2  TIP3  425       0.859  -0.416  12.902  1.00  0.00      SOLV
ATOM   1300  OH2 TIP3  426      -2.760  -4.231  10.021  1.00  0.00      SOLV
ATOM   1301  H1  TIP3  426      -3.448  -3.582   9.747  1.00  0.00      SOLV
ATOM   1302  H2  TIP3  426      -2.182  -4.239   9.239  1.00  0.00      SOLV
ATOM   1303  OH2 TIP3  427      -2.796  -5.500   6.531  1.00  0.00      SOLV
ATOM   1304  H1  TIP3  427      -2.177  -5.254   7.242  1.00  0.00      SOLV
ATOM   1305  H2  TIP3  427      -2.220  -6.077   5.987  1.00  0.00      SOLV
ATOM   1306  OH2 TIP3  428       0.903  -4.029  10.353  1.00  0.00      SOLV
ATOM   1307  H1  TIP3  428       0.240  -3.734  11.017  1.00  0.00      SOLV
ATOM   1308  H2  TIP3  428       1.597  -4.400  10.917  1.00  0.00      SOLV
ATOM   1309  OH2 TIP3  429      -7.626  -3.815  12.265  1.00  0.00      SOLV
ATOM   1310  H1  TIP3  429      -8.034  -3.936  11.386  1.00  0.00      SOLV
ATOM   1311  H2  TIP3  429      -7.491  -4.740  12.522  1.00  0.00      SOLV
ATOM   1312  OH2 TIP3  430      -0.637  -4.719   8.175  1.00  0.00      SOLV
ATOM   1313  H1  TIP3  430      -0.015  -4.352   8.843  1.00  0.00      SOLV
ATOM   1314  H2  TIP3  430      -0.155  -4.529   7.339  1.00  0.00      SOLV
ATOM   1315  OH2 TIP3  431      -2.765   1.664  11.319  1.00  0.00      SOLV
ATOM   1316  H1  TIP3  431      -1.886   2.067  11.473  1.00  0.00      SOLV
ATOM   1317  H2  TIP3  431      -3.251   2.453  11.003  1.00  0.00      SOLV
ATOM   1318  OH2 TIP3  432       3.486 -12.846   8.834  1.00  0.00      SOLV
ATOM   1319  H1  TIP3  432       2.589 -12.593   9.125  1.00  0.00      SOLV
ATOM   1320  H2  TIP3  432       3.681 -12.168   8.153  1.00  0.00      SOLV
ATOM   1321  OH2 TIP3  433      -8.623  -4.443   9.795  1.00  0.00      SOLV
ATOM   1322  H1  TIP3  433      -9.256  -3.818   9.368  1.00  0.00      SOLV
ATOM   1323  H2  TIP3  433      -9.088  -5.283   9.706  1.00  0.00      SOLV
ATOM   1324  OH2 TIP3  434       4.329   1.181   6.832  1.00  0.00      SOLV
ATOM   1325  H1  TIP3  434       4.507   2.147   6.805  1.00  0.00      SOLV
ATOM   1326  H2  TIP3  434       5.236   0.820   6.747  1.00  0.00      SOLV
ATOM   1327  OH2 TIP3  435      -3.266   4.297  10.545  1.00  0.00      SOLV
ATOM   1328  H1  TIP3  435      -3.446   4.379   9.579  1.00  0.00      SOLV
ATOM   1329  H2  TIP3  435      -3.411   5.218  10.824  1.00  0.00      SOLV
ATOM   1330  OH2 TIP3  436      -9.955   3.764  12.203  1.00  0.00      SOLV
ATOM   1331  H1  TIP3  436      -9.939   3.562  13.171  1.00  0.00      SOLV
ATOM   1332  H2  TIP3  436     -10.440   2.989  11.865  1.00  0.00      SOLV
ATOM   1333  OH2 TIP3  437      -0.345   4.343   6.907  1.00  0.00      SOLV
ATOM   1334  H1  TIP3  437       0.152   3.532   6.660  1.00  0.00      SOLV
ATOM   1335  H2  TIP3  437      -0.484   4.193   7.864  1.00  0.00      SOLV
ATOM   1336  OH2 TIP3  438      -0.635   4.026   9.654  1.00  0.00      SOLV
ATOM   1337  H1  TIP3  438      -1.587   4.131   9.852  1.00  0.00      SOLV
ATOM   1338  H2  TIP3  438      -0.383   3.454  10.410  1.00  0.00      SOLV
ATOM   1339  OH2 TIP3  439       0.637  -4.521   5.724  1.00  0.00      SOLV
ATOM   1340  H1  TIP3  439       0.612  -4.268   4.777  1.00  0.00      SOLV
ATOM   1341  H2  TIP3  439       1.528  -4.181   5.959  1.00  0.00      SOLV
ATOM   1342  OH2 TIP3  440      -3.666 -10.345   7.007  1.00  0.00      SOLV
ATOM   1343  H1  TIP3  440      -4.277 -10.515   7.754  1.00  0.00      SOLV
ATOM   1344  H2  TIP3  440      -4.088 -10.865   6.299  1.00  0.00      SOLV
ATOM   1345  OH2 TIP3  441      -7.652  -7.071  12.445  1.00  0.00      SOLV
ATOM   1346  H1  TIP3  441      -8.616  -7.238  12.432  1.00  0.00      SOLV
ATOM   1347  H2  TIP3  441      -7.456  -7.253  11.500  1.00  0.00      SOLV
ATOM   1348  OH2 TIP3  442      -2.624  -6.838  10.947  1.00  0.00      SOLV
ATOM   1349  H1  TIP3  442      -2.761  -5.898  10.707  1.00  0.00      SOLV
ATOM   1350  H2  TIP3  442      -1.860  -7.069  10.386  1.00  0.00      SOLV
ATOM   1351  OH2 TIP3  443      -6.656  -9.600   5.747  1.00  0.00      SOLV
ATOM   1352  H1  TIP3  443      -7.022  -9.796   6.635  1.00  0.00      SOLV
ATOM   1353  H2  TIP3  443      -7.288  -8.912   5.461  1.00  0.00      SOLV
ATOM   1354  OH2 TIP3  444     -12.717 -10.403  12.266  1.00  0.00      SOLV
ATOM   1355  H1  TIP3  444     -12.889  -9.553  12.720  1.00  0.00      SOLV
ATOM   1356  H2  TIP3  444     -11.757 -10.488  12.360  1.00  0.00      SOLV
ATOM   1357  OH2 TIP3  445     -12.032  -8.877   8.727  1.00  0.00      SOLV
ATOM   1358  H1  TIP3  445     -11.550  -8.609   7.921  1.00  0.00      SOLV
ATOM   1359  H2  TIP3  445     -12.695  -8.181   8.733  1.00  0.00      SOLV
ATOM   1360  OH2 TIP3  446     -10.291  -7.907  11.974  1.00  0.00      SOLV
ATOM   1361  H1  TIP3  446     -10.971  -7.831  11.282  1.00  0.00      SOLV
ATOM   1362  H2  TIP3  446      -9.998  -8.834  11.872  1.00  0.00      SOLV
ATOM   1363  OH2 TIP3  447      -7.262  -7.804   9.799  1.00  0.00      SOLV
ATOM   1364  H1  TIP3  447      -6.299  -7.942   9.873  1.00  0.00      SOLV
ATOM   1365  H2  TIP3  447      -7.349  -7.408   8.901  1.00  0.00      SOLV
ATOM   1366  OH2 TIP3  448      -7.545  -6.865   7.270  1.00  0.00      SOLV
ATOM   1367  H1  TIP3  448      -8.042  -7.099   6.462  1.00  0.00      SOLV
ATOM   1368  H2  TIP3  448      -6.824  -6.322   6.885  1.00  0.00      SOLV
ATOM   1369  OH2 TIP3  449      -9.505 -10.624  12.091  1.00  0.00      SOLV
ATOM   1370  H1  TIP3  449      -9.877 -11.500  11.823  1.00  0.00      SOLV
ATOM   1371  H2  TIP3  449      -8.602 -10.715  11.760  1.00  0.00      SOLV
ATOM   1372  OH2 TIP3  450      -4.649  -2.342   9.283  1.00  0.00      SOLV
ATOM   1373  H1  TIP3  450      -5.432  -2.618   8.758  1.00  0.00      SOLV
ATOM   1374  H2  TIP3  450      -5.076  -2.079  10.131  1.00  0.00      SOLV
ATOM   1375  OH2 TIP3  451      -1.150  -9.461   7.534  1.00  0.00      SOLV
ATOM   1376  H1  TIP3  451      -2.120  -9.557   7.384  1.00  0.00      SOLV
ATOM   1377  H2  TIP3  451      -1.074  -8.597   7.990  1.00  0.00      SOLV
ATOM   1378  OH2 TIP3  452      -0.452  -7.313   9.167  1.00  0.00      SOLV
ATOM   1379  H1  TIP3  452       0.448  -7.441   9.525  1.00  0.00      SOLV
ATOM   1380  H2  TIP3  452      -0.397  -6.414   8.788  1.00  0.00      SOLV
ATOM   1381  OH2 TIP3  453      -2.898  -0.463   8.304  1.00  0.00      SOLV
ATOM   1382  H1  TIP3  453      -3.377   0.377   8.404  1.00  0.00      SOLV
ATOM   1383  H2  TIP3  453      -3.589  -1.115   8.557  1.00  0.00      SOLV
ATOM   1384  OH2 TIP3  454       4.269  -6.886   8.790  1.00  0.00      SOLV
ATOM   1385  H1  TIP3  454       3.838  -7.084   7.921  1.00  0.00      SOLV
ATOM   1386  H2  TIP3  454       4.513  -5.951   8.603  1.00  0.00      SOLV
ATOM   1387  OH2 TIP3  455       3.189   1.525   9.381  1.00  0.00      SOLV
ATOM   1388  H1  TIP3  455       2.517   0.857   9.575  1.00  0.00      SOLV
ATOM   1389  H2  TIP3  455       3.464   1.287   8.474  1.00  0.00      SOLV
ATOM   1390  OH2 TIP3  456      -7.463   0.591  11.911  1.00  0.00      SOLV
ATOM   1391  H1  TIP3  456      -7.151   1.514  11.999  1.00  0.00      SOLV
ATOM   1392  H2  TIP3  456      -8.273   0.735  11.403  1.00  0.00      SOLV
ATOM   1393  OH2 TIP3  457     -11.832  -4.498   7.087  1.00  0.00      SOLV
ATOM   1394  H1  TIP3  457     -11.217  -3.916   7.589  1.00  0.00      SOLV
ATOM   1395  H2  TIP3  457     -12.687  -4.108   7.330  1.00  0.00      SOLV
ATOM   1396  OH2 TIP3  458      -5.965  -1.619  11.576  1.00  0.00      SOLV
ATOM   1397  H1  TIP3  458      -6.580  -0.867  11.650  1.00  0.00      SOLV
ATOM   1398  H2  TIP3  458      -6.522  -2.371  11.889  1.00  0.00      SOLV
ATOM   1399  OH2 TIP3  459      -7.202   3.326  11.707  1.00  0.00      SOLV
ATOM   1400  H1  TIP3  459      -8.116   3.640  11.857  1.00  0.00      SOLV
ATOM   1401  H2  TIP3  459      -7.018   3.627  10.809  1.00  0.00      SOLV
ATOM   1402  OH2 TIP3  460       0.623  -0.298   6.924  1.00  0.00      SOLV
ATOM   1403  H1  TIP3  460       0.835  -0.847   7.716  1.00  0.00      SOLV
ATOM   1404  H2  TIP3  460      -0.329  -0.455   6.799  1.00  0.00      SOLV
ATOM   1405  OH2 TIP3  461       4.845   3.881   7.019  1.00  0.00      SOLV
ATOM   1406  H1  TIP3  461       5.101   4.607   6.426  1.00  0.00      SOLV
ATOM   1407  H2  TIP3  461       4.144   4.337   7.533  1.00  0.00      SOLV
ATOM   1408  OH2 TIP3  462       1.636  -1.739   8.986  1.00  0.00      SOLV
ATOM   1409  H1  TIP3  462       1.296  -2.472   9.531  1.00  0.00      SOLV
ATOM   1410  H2  TIP3  462       2.598  -1.851   9.138  1.00  0.00      SOLV
ATOM   1411  OH2 TIP3  463      -7.261   0.337   8.589  1.00  0.00      SOLV
ATOM   1412  H1  TIP3  463      -6.508   0.098   9.137  1.00  0.00      SOLV
ATOM   1413  H2  TIP3  463      -6.840   1.067   8.077  1.00  0.00      SOLV
ATOM   1414  OH2 TIP3  464     -10.309  -2.726   8.524  1.00  0.00      SOLV
ATOM   1415  H1  TIP3  464     -10.878  -2.170   9.104  1.00  0.00      SOLV
ATOM   1416  H2  TIP3  464      -9.852  -2.008   8.038  1.00  0.00      SOLV
ATOM   1417  OH2 TIP3  465      -1.261 -10.762   9.986  1.00  0.00      SOLV
ATOM   1418  H1  TIP3  465      -1.161 -10.307   9.125  1.00  0.00      SOLV
ATOM   1419  H2  TIP3  465      -0.885 -10.095  10.612  1.00  0.00      SOLV
ATOM   1420  OH2 TIP3  466      -4.734  -8.561  10.909  1.00  0.00      SOLV
ATOM   1421  H1  TIP3  466      -3.962  -7.947  10.944  1.00  0.00      SOLV
ATOM   1422  H2  TIP3  466      -4.943  -8.674  11.847  1.00  0.00      SOLV
ATOM   1423  OH2 TIP3  467      -3.314 -11.723  11.478  1.00  0.00      SOLV
ATOM   1424  H1  TIP3  467      -3.309 -10.991  12.106  1.00  0.00      SOLV
ATOM   1425  H2  TIP3  467      -2.633 -11.414  10.842  1.00  0.00      SOLV
ATOM   1426  OH2 TIP3  468      -7.799 -10.150   8.172  1.00  0.00      SOLV
ATOM   1427  H1  TIP3  468      -7.972  -9.400   8.768  1.00  0.00      SOLV
ATOM   1428  H2  TIP3  468      -6.949 -10.473   8.545  1.00  0.00      SOLV
ATOM   1429  OH2 TIP3  469      -9.409  -0.455   7.168  1.00  0.00      SOLV
ATOM   1430  H1  TIP3  469      -8.700  -0.042   7.716  1.00  0.00      SOLV
ATOM   1431  H2  TIP3  469      -8.850  -0.985   6.557  1.00  0.00      SOLV
ATOM   1432  OH2 TIP3  470     -11.472  -7.239   6.658  1.00  0.00      SOLV
ATOM   1433  H1  TIP3  470     -11.580  -6.285   6.829  1.00  0.00      SOLV
ATOM   1434  H2  TIP3  470     -11.721  -7.328   5.731  1.00  0.00      SOLV
ATOM   1435  OH2 TIP3  471     -11.569   1.656  11.132  1.00  0.00      SOLV
ATOM   1436  H1  TIP3  471     -12.402   1.704  11.631  1.00  0.00      SOLV
ATOM   1437  H2  TIP3  471     -11.693   2.306  10.401  1.00  0.00      SOLV
ATOM   1438  OH2 TIP3  472      -3.497   2.162   5.031  1.00  0.00      SOLV
ATOM   1439  H1  TIP3  472      -4.142   2.220   5.768  1.00  0.00      SOLV
ATOM   1440  H2  TIP3  472      -3.108   1.286   5.183  1.00  0.00      SOLV
ATOM   1441  OH2 TIP3  473       1.075   2.212   5.989  1.00  0.00      SOLV
ATOM   1442  H1  TIP3  473       1.013   1.328   6.411  1.00  0.00      SOLV
ATOM   1443  H2  TIP3  473       1.913   2.152   5.499  1.00  0.00      SOLV
ATOM   1444  OH2 TIP3  474      -7.949  -2.220   5.716  1.00  0.00      SOLV
ATOM   1445  H1  TIP3  474      -7.582  -2.655   6.511  1.00  0.00      SOLV
ATOM   1446  H2  TIP3  474      -7.110  -2.101   5.214  1.00  0.00      SOLV
ATOM   1447  OH2 TIP3  475      -2.018  -0.420   5.673  1.00  0.00      SOLV
ATOM   1448  H1  TIP3  475      -2.432  -0.465   6.560  1.00  0.00      SOLV
ATOM   1449  H2  TIP3  475      -2.181  -1.335   5.350  1.00  0.00      SOLV
ATOM   1450  OH2 TIP3  476      -6.755  -3.462   7.935  1.00  0.00      SOLV
ATOM   1451  H1  TIP3  476      -7.296  -3.973   8.568  1.00  0.00      SOLV
ATOM   1452  H2  TIP3  476      -6.351  -4.161   7.377  1.00  0.00      SOLV
ATOM   1453  OH2 TIP3  477      -5.544  -5.293   6.265  1.00  0.00      SOLV
ATOM   1454  H1  TIP3  477      -5.536  -5.061   5.311  1.00  0.00      SOLV
ATOM   1455  H2  TIP3  477      -4.581  -5.404   6.424  1.00  0.00      SOLV
ATOM   1456  OH2 TIP3  478       3.195  -3.515   5.853  1.00  0.00      SOLV
ATOM   1457  H1  TIP3  478       3.340  -3.661   4.897  1.00  0.00      SOLV
ATOM   1458  H2  TIP3  478       3.131  -2.529   5.850  1.00  0.00      SOLV
ATOM   1459  OH2 TIP3  479     -12.099  -0.331   6.883  1.00  0.00      SOLV
ATOM   1460  H1  TIP3  479     -11.128  -0.217   7.006  1.00  0.00      SOLV
ATOM   1461  H2  TIP3  479     -12.083  -1.057   6.225  1.00  0.00      SOLV
ATOM   1462  OH2 TIP3  480       4.240  -2.311   9.611  1.00  0.00      SOLV
ATOM   1463  H1  TIP3  480       5.000  -1.703   9.718  1.00  0.00      SOLV
ATOM   1464  H2  TIP3  480       4.340  -2.912  10.385  1.00  0.00      SOLV
ATOM   1465  OH2 TIP3  481       4.474  -4.269  11.473  1.00  0.00      SOLV
ATOM   1466  H1  TIP3  481       3.800  -4.792  11.951  1.00  0.00      SOLV
ATOM   1467  H2  TIP3  481       5.265  -4.362  12.042  1.00  0.00      SOLV
ATOM   1468  OH2 TIP3  482       4.847  -4.364   7.871  1.00  0.00      SOLV
ATOM   1469  H1  TIP3  482       4.269  -4.135   7.108  1.00  0.00      SOLV
ATOM   1470  H2  TIP3  482       4.616  -3.629   8.478  1.00  0.00      SOLV
ATOM   1471  OH2 TIP3  483       3.180  -7.275   6.323  1.00  0.00      SOLV
ATOM   1472  H1  TIP3  483       3.034  -6.769   5.514  1.00  0.00      SOLV
ATOM   1473  H2  TIP3  483       2.847  -8.153   6.033  1.00  0.00      SOLV
ATOM   1474  OH2 TIP3  484       2.350  -5.732  12.437  1.00  0.00      SOLV
ATOM   1475  H1  TIP3  484       2.092  -6.457  11.830  1.00  0.00      SOLV
ATOM   1476  H2  TIP3  484       1.533  -5.524  12.924  1.00  0.00      SOLV
ATOM   1477  OH2 TIP3  485       2.263  -9.691   5.482  1.00  0.00      SOLV
ATOM   1478  H1  TIP3  485       2.858 -10.305   5.956  1.00  0.00      SOLV
ATOM   1479  H2  TIP3  485       1.439 -10.201   5.400  1.00  0.00      SOLV
ATOM   1480  OH2 TIP3  486       2.148  -7.727  10.437  1.00  0.00      SOLV
ATOM   1481  H1  TIP3  486       2.437  -8.668  10.499  1.00  0.00      SOLV
ATOM   1482  H2  TIP3  486       2.878  -7.371   9.888  1.00  0.00      SOLV
ATOM   1483  OH2 TIP3  487       2.833 -10.388  10.745  1.00  0.00      SOLV
ATOM   1484  H1  TIP3  487       3.132 -10.787  11.591  1.00  0.00      SOLV
ATOM   1485  H2  TIP3  487       2.160 -11.040  10.470  1.00  0.00      SOLV
ATOM   1486  OH2 TIP3  488       4.262 -11.023   6.948  1.00  0.00      SOLV
ATOM   1487  H1  TIP3  488       4.894 -11.494   6.364  1.00  0.00      SOLV
ATOM   1488  H2  TIP3  488       4.839 -10.330   7.329  1.00  0.00      SOLV
ATOM   1489  OH2 TIP3  489     -13.346 -11.106   9.458  1.00  0.00      SOLV
ATOM   1490  H1  TIP3  489     -13.290 -11.108  10.426  1.00  0.00      SOLV
ATOM   1491  H2  TIP3  489     -12.758 -10.340   9.245  1.00  0.00      SOLV
ATOM   1492  OH2 TIP3  490       2.126   3.978  12.776  1.00  0.00      SOLV
ATOM   1493  H1  TIP3  490       2.641   3.896  11.947  1.00  0.00      SOLV
ATOM   1494  H2  TIP3  490       2.247   4.918  12.973  1.00  0.00      SOLV
ATOM   1495  OH2 TIP3  491       3.821 -11.814  12.896  1.00  0.00      SOLV
ATOM   1496  H1  TIP3  491       3.816 -12.789  12.840  1.00  0.00      SOLV
ATOM   1497  H2  TIP3  491       4.773 -11.586  12.826  1.00  0.00      SOLV
ATOM   1498  OH2 TIP3  492     -10.664 -12.971  11.463  1.00  0.00      SOLV
ATOM   1499  H1  TIP3  492     -11.547 -13.317  11.250  1.00  0.00      SOLV
ATOM   1500  H2  TIP3  492     -10.200 -13.807  11.641  1.00  0.00      SOLV
ATOM   1501  OH2 TIP3  493     -12.067 -12.692   7.593  1.00  0.00      SOLV
ATOM   1502  H1  TIP3  493     -11.344 -12.067   7.395  1.00  0.00      SOLV
ATOM   1503  H2  TIP3  493     -12.592 -12.185   8.245  1.00  0.00      SOLV
ATOM   1504  OH2 TIP3  494      -6.052 -12.004  11.567  1.00  0.00      SOLV
ATOM   1505  H1  TIP3  494      -5.075 -12.020  11.610  1.00  0.00      SOLV
ATOM   1506  H2  TIP3  494      -6.257 -12.486  12.392  1.00  0.00      SOLV
ATOM   1507  OH2 TIP3  495       0.967 -12.322   9.842  1.00  0.00      SOLV
ATOM   1508  H1  TIP3  495       0.154 -11.790   9.974  1.00  0.00      SOLV
ATOM   1509  H2  TIP3  495       0.571 -13.184   9.595  1.00  0.00      SOLV
ATOM   1510  OH2 TIP3  496     -11.845   3.450   9.053  1.00  0.00      SOLV
ATOM   1511  H1  TIP3  496     -12.755   3.198   8.793  1.00  0.00      SOLV
ATOM   1512  H2  TIP3  496     -11.818   4.383   8.769  1.00  0.00      SOLV
ATOM   1513  OH2 TIP3  497      -9.848 -11.222   6.662  1.00  0.00      SOLV
ATOM   1514  H1  TIP3  497      -9.370 -11.931   6.202  1.00  0.00      SOLV
ATOM   1515  H2  TIP3  497      -9.158 -10.873   7.270  1.00  0.00      SOLV
ATOM   1516  OH2 TIP3  498      -5.341 -10.651   9.230  1.00  0.00      SOLV
ATOM   1517  H1  TIP3  498      -5.597 -11.277   9.940  1.00  0.00      SOLV
ATOM   1518  H2  TIP3  498      -5.017  -9.905   9.780  1.00  0.00      SOLV
ATOM   1519  OH2 TIP3  499      -3.365   4.770   7.901  1.00  0.00      SOLV
ATOM   1520  H1  TIP3  499      -2.785   4.640   7.140  1.00  0.00      SOLV
ATOM   1521  H2  TIP3  499      -4.092   4.140   7.694  1.00  0.00      SOLV
ATOM   1522  OH2 TIP3  500       3.760   3.910  10.525  1.00  0.00      SOLV
ATOM   1523  H1  TIP3  500       3.543   3.031  10.129  1.00  0.00      SOLV
ATOM   1524  H2  TIP3  500       3.582   4.493   9.758  1.00  0.00      SOLV
ATOM   1525  OH2 TIP3  501      -9.725   3.842   6.104  1.00  0.00      SOLV
ATOM   1526  H1  TIP3  501     -10.072   3.776   7.007  1.00  0.00      SOLV
ATOM   1527  H2  TIP3  501      -8.965   3.241   6.153  1.00  0.00      SOLV
ATOM   1528  OH2 TIP3  502       6.286  -7.025  10.980  1.00  0.00      SOLV
ATOM   1529  H1  TIP3  502       6.155  -6.165  11.407  1.00  0.00      SOLV
ATOM   1530  H2  TIP3  502       5.589  -7.020  10.302  1.00  0.00      SOLV
ATOM   1531  OH2 TIP3  503       6.825  -4.596  12.786  1.00  0.00      SOLV
ATOM   1532  H1  TIP3  503       6.967  -4.723  13.747  1.00  0.00      SOLV
ATOM   1533  H2  TIP3  503       7.579  -4.036  12.571  1.00  0.00      SOLV
ATOM   1534  OH2 TIP3  504       6.531  -0.708   9.430  1.00  0.00      SOLV
ATOM   1535  H1  TIP3  504       6.471  -0.334   8.528  1.00  0.00      SOLV
ATOM   1536  H2  TIP3  504       6.804   0.074   9.951  1.00  0.00      SOLV
ATOM   1537  OH2 TIP3  505      11.914  -4.213  11.757  1.00  0.00      SOLV
ATOM   1538  H1  TIP3  505      11.300  -4.150  11.006  1.00  0.00      SOLV
ATOM   1539  H2  TIP3  505      11.727  -5.125  12.043  1.00  0.00      SOLV
ATOM   1540  OH2 TIP3  506      10.099  -4.361   9.710  1.00  0.00      SOLV
ATOM   1541  H1  TIP3  506       9.543  -3.605   9.406  1.00  0.00      SOLV
ATOM   1542  H2  TIP3  506       9.460  -5.080   9.637  1.00  0.00      SOLV
ATOM   1543  OH2 TIP3  507       8.964   3.520  12.144  1.00  0.00      SOLV
ATOM   1544  H1  TIP3  507       8.866   3.449  13.123  1.00  0.00      SOLV
ATOM   1545  H2  TIP3  507       8.352   2.831  11.833  1.00  0.00      SOLV
ATOM   1546  OH2 TIP3  508      11.109  -6.940  11.910  1.00  0.00      SOLV
ATOM   1547  H1  TIP3  508      10.177  -7.164  12.103  1.00  0.00      SOLV
ATOM   1548  H2  TIP3  508      11.231  -7.369  11.041  1.00  0.00      SOLV
ATOM   1549  OH2 TIP3  509      12.583  -9.303   5.359  1.00  0.00      SOLV
ATOM   1550  H1  TIP3  509      12.359  -9.753   6.189  1.00  0.00      SOLV
ATOM   1551  H2  TIP3  509      11.768  -8.797   5.188  1.00  0.00      SOLV
ATOM   1552  OH2 TIP3  510       6.176 -10.485  12.837  1.00  0.00      SOLV
ATOM   1553  H1  TIP3  510       6.642  -9.706  13.157  1.00  0.00      SOLV
ATOM   1554  H2  TIP3  510       6.402 -10.507  11.893  1.00  0.00      SOLV
ATOM   1555  OH2 TIP3  511       5.841  -9.108   8.261  1.00  0.00      SOLV
ATOM   1556  H1  TIP3  511       6.590  -8.621   7.853  1.00  0.00      SOLV
ATOM   1557  H2  TIP3  511       5.272  -8.356   8.521  1.00  0.00      SOLV
ATOM   1558  OH2 TIP3  512       8.542  -7.904  12.353  1.00  0.00      SOLV
ATOM   1559  H1  TIP3  512       7.784  -7.694  11.763  1.00  0.00      SOLV
ATOM   1560  H2  TIP3  512       8.765  -8.831  12.109  1.00  0.00      SOLV
ATOM   1561  OH2 TIP3  513      11.976  -7.809   9.373  1.00  0.00      SOLV
ATOM   1562  H1  TIP3  513      12.752  -7.387   9.800  1.00  0.00      SOLV
ATOM   1563  H2  TIP3  513      11.773  -7.220   8.620  1.00  0.00      SOLV
ATOM   1564  OH2 TIP3  514      10.768  -6.545   7.144  1.00  0.00      SOLV
ATOM   1565  H1  TIP3  514       9.841  -6.799   7.261  1.00  0.00      SOLV
ATOM   1566  H2  TIP3  514      10.885  -6.855   6.218  1.00  0.00      SOLV
ATOM   1567  OH2 TIP3  515       9.487 -10.440  11.834  1.00  0.00      SOLV
ATOM   1568  H1  TIP3  515       9.071 -11.318  12.013  1.00  0.00      SOLV
ATOM   1569  H2  TIP3  515      10.119 -10.699  11.154  1.00  0.00      SOLV
ATOM   1570  OH2 TIP3  516      11.235   0.290  11.317  1.00  0.00      SOLV
ATOM   1571  H1  TIP3  516      11.777   0.913  11.829  1.00  0.00      SOLV
ATOM   1572  H2  TIP3  516      10.648   0.890  10.838  1.00  0.00      SOLV
ATOM   1573  OH2 TIP3  517       7.434  -4.719   7.050  1.00  0.00      SOLV
ATOM   1574  H1  TIP3  517       7.852  -3.985   7.547  1.00  0.00      SOLV
ATOM   1575  H2  TIP3  517       6.501  -4.609   7.344  1.00  0.00      SOLV
ATOM   1576  OH2 TIP3  518      12.579  -1.666  12.614  1.00  0.00      SOLV
ATOM   1577  H1  TIP3  518      12.048  -1.147  11.981  1.00  0.00      SOLV
ATOM   1578  H2  TIP3  518      12.480  -2.579  12.244  1.00  0.00      SOLV
ATOM   1579  OH2 TIP3  519      11.410   3.740  10.922  1.00  0.00      SOLV
ATOM   1580  H1  TIP3  519      10.544   3.717  11.378  1.00  0.00      SOLV
ATOM   1581  H2  TIP3  519      11.855   4.467  11.411  1.00  0.00      SOLV
ATOM   1582  OH2 TIP3  520      13.078   1.107   5.251  1.00  0.00      SOLV
ATOM   1583  H1  TIP3  520      12.733   0.326   4.798  1.00  0.00      SOLV
ATOM   1584  H2  TIP3  520      13.502   0.713   6.036  1.00  0.00      SOLV
ATOM   1585  OH2 TIP3  521      11.749   0.368   8.015  1.00  0.00      SOLV
ATOM   1586  H1  TIP3  521      12.360  -0.104   8.589  1.00  0.00      SOLV
ATOM   1587  H2  TIP3  521      12.030   1.300   8.155  1.00  0.00      SOLV
ATOM   1588  OH2 TIP3  522       8.384  -2.596   8.620  1.00  0.00      SOLV
ATOM   1589  H1  TIP3  522       7.695  -2.049   9.053  1.00  0.00      SOLV
ATOM   1590  H2  TIP3  522       8.832  -1.901   8.090  1.00  0.00      SOLV
ATOM   1591  OH2 TIP3  523      12.506   2.930   8.601  1.00  0.00      SOLV
ATOM   1592  H1  TIP3  523      12.368   3.727   8.044  1.00  0.00      SOLV
ATOM   1593  H2  TIP3  523      12.079   3.221   9.443  1.00  0.00      SOLV
ATOM   1594  OH2 TIP3  524      11.445 -10.196   7.955  1.00  0.00      SOLV
ATOM   1595  H1  TIP3  524      11.453  -9.379   8.488  1.00  0.00      SOLV
ATOM   1596  H2  TIP3  524      12.160 -10.694   8.403  1.00  0.00      SOLV
ATOM   1597  OH2 TIP3  525       9.443  -0.637   7.034  1.00  0.00      SOLV
ATOM   1598  H1  TIP3  525      10.215  -0.144   7.402  1.00  0.00      SOLV
ATOM   1599  H2  TIP3  525       9.911  -1.196   6.378  1.00  0.00      SOLV
ATOM   1600  OH2 TIP3  526       7.637  -7.456   6.937  1.00  0.00      SOLV
ATOM   1601  H1  TIP3  526       7.523  -6.484   6.937  1.00  0.00      SOLV
ATOM   1602  H2  TIP3  526       7.559  -7.681   5.999  1.00  0.00      SOLV
ATOM   1603  OH2 TIP3  527       7.099   1.681  10.873  1.00  0.00      SOLV
ATOM   1604  H1  TIP3  527       6.196   1.902  11.125  1.00  0.00      SOLV
ATOM   1605  H2  TIP3  527       7.229   2.314  10.129  1.00  0.00      SOLV
ATOM   1606  OH2 TIP3  528      10.775  -2.419   5.460  1.00  0.00      SOLV
ATOM   1607  H1  TIP3  528      11.180  -2.927   6.193  1.00  0.00      SOLV
ATOM   1608  H2  TIP3  528      11.476  -2.524   4.778  1.00  0.00      SOLV
ATOM   1609  OH2 TIP3  529      11.887  -4.021   7.520  1.00  0.00      SOLV
ATOM   1610  H1  TIP3  529      11.412  -3.980   8.368  1.00  0.00      SOLV
ATOM   1611  H2  TIP3  529      11.684  -4.945   7.269  1.00  0.00      SOLV
ATOM   1612  OH2 TIP3  530      12.695   5.242   7.152  1.00  0.00      SOLV
ATOM   1613  H1  TIP3  530      13.572   5.588   7.415  1.00  0.00      SOLV
ATOM   1614  H2  TIP3  530      12.709   5.327   6.194  1.00  0.00      SOLV
ATOM   1615  OH2 TIP3  531       6.802  -0.078   6.691  1.00  0.00      SOLV
ATOM   1616  H1  TIP3  531       7.769  -0.213   6.805  1.00  0.00      SOLV
ATOM   1617  H2  TIP3  531       6.617  -0.752   5.997  1.00  0.00      SOLV
ATOM   1618  OH2 TIP3  532       5.674   4.758  12.301  1.00  0.00      SOLV
ATOM   1619  H1  TIP3  532       5.101   4.320  11.634  1.00  0.00      SOLV
ATOM   1620  H2  TIP3  532       5.450   4.290  13.128  1.00  0.00      SOLV
ATOM   1621  OH2 TIP3  533       5.758 -11.111  10.068  1.00  0.00      SOLV
ATOM   1622  H1  TIP3  533       4.790 -11.155  10.156  1.00  0.00      SOLV
ATOM   1623  H2  TIP3  533       5.843 -10.328   9.480  1.00  0.00      SOLV
ATOM   1624  OH2 TIP3  534       8.421 -12.891  12.123  1.00  0.00      SOLV
ATOM   1625  H1  TIP3  534       7.500 -13.078  11.877  1.00  0.00      SOLV
ATOM   1626  H2  TIP3  534       8.788 -13.786  12.039  1.00  0.00      SOLV
ATOM   1627  OH2 TIP3  535       7.219 -12.646   8.245  1.00  0.00      SOLV
ATOM   1628  H1  TIP3  535       7.817 -12.039   7.767  1.00  0.00      SOLV
ATOM   1629  H2  TIP3  535       6.752 -12.037   8.846  1.00  0.00      SOLV
ATOM   1630  OH2 TIP3  536      12.996 -12.760  12.704  1.00  0.00      SOLV
ATOM   1631  H1  TIP3  536      13.505 -11.945  12.529  1.00  0.00      SOLV
ATOM   1632  H2  TIP3  536      12.978 -12.776  13.665  1.00  0.00      SOLV
ATOM   1633  OH2 TIP3  537       6.905   3.465   8.860  1.00  0.00      SOLV
ATOM   1634  H1  TIP3  537       6.158   3.445   8.232  1.00  0.00      SOLV
ATOM   1635  H2  TIP3  537       7.082   4.428   8.872  1.00  0.00      SOLV
ATOM   1636  OH2 TIP3  538       9.106 -11.183   6.687  1.00  0.00      SOLV
ATOM   1637  H1  TIP3  538       9.484 -11.814   6.043  1.00  0.00      SOLV
ATOM   1638  H2  TIP3  538       9.903 -10.898   7.181  1.00  0.00      SOLV
ATOM   1639  OH2 TIP3  539       8.471   3.690   5.950  1.00  0.00      SOLV
ATOM   1640  H1  TIP3  539       8.370   3.755   6.910  1.00  0.00      SOLV
ATOM   1641  H2  TIP3  539       9.399   3.387   5.857  1.00  0.00      SOLV
ATOM   1642  OH2 TIP3  540     -12.798  12.141  11.411  1.00  0.00      SOLV
ATOM   1643  H1  TIP3  540     -13.414  12.800  11.806  1.00  0.00      SOLV
ATOM   1644  H2  TIP3  540     -13.158  11.302  11.743  1.00  0.00      SOLV
ATOM   1645  OH2 TIP3  541       0.112   9.710  11.954  1.00  0.00      SOLV
ATOM   1646  H1  TIP3  541       0.597   9.407  12.745  1.00  0.00      SOLV
ATOM   1647  H2  TIP3  541       0.822  10.116  11.437  1.00  0.00      SOLV
ATOM   1648  OH2 TIP3  542      -2.870  12.728   6.737  1.00  0.00      SOLV
ATOM   1649  H1  TIP3  542      -2.451  13.097   7.518  1.00  0.00      SOLV
ATOM   1650  H2  TIP3  542      -2.121  12.370   6.220  1.00  0.00      SOLV
ATOM   1651  OH2 TIP3  543       3.112   5.526   8.332  1.00  0.00      SOLV
ATOM   1652  H1  TIP3  543       2.192   5.708   8.622  1.00  0.00      SOLV
ATOM   1653  H2  TIP3  543       3.362   6.409   7.991  1.00  0.00      SOLV
ATOM   1654  OH2 TIP3  544      -3.554   8.727   6.886  1.00  0.00      SOLV
ATOM   1655  H1  TIP3  544      -4.251   8.606   7.562  1.00  0.00      SOLV
ATOM   1656  H2  TIP3  544      -3.911   8.167   6.162  1.00  0.00      SOLV
ATOM   1657  OH2 TIP3  545      -7.363  11.322  12.475  1.00  0.00      SOLV
ATOM   1658  H1  TIP3  545      -8.329  11.458  12.510  1.00  0.00      SOLV
ATOM   1659  H2  TIP3  545      -7.263  11.230  11.500  1.00  0.00      SOLV
ATOM   1660  OH2 TIP3  546      -2.557  12.302  10.696  1.00  0.00      SOLV
ATOM   1661  H1  TIP3  546      -2.768  13.219  10.939  1.00  0.00      SOLV
ATOM   1662  H2  TIP3  546      -1.689  12.375  10.271  1.00  0.00      SOLV
ATOM   1663  OH2 TIP3  547      -6.710   9.304   5.761  1.00  0.00      SOLV
ATOM   1664  H1  TIP3  547      -7.043   9.092   6.655  1.00  0.00      SOLV
ATOM   1665  H2  TIP3  547      -7.347   9.982   5.488  1.00  0.00      SOLV
ATOM   1666  OH2 TIP3  548     -12.850   9.378  12.385  1.00  0.00      SOLV
ATOM   1667  H1  TIP3  548     -13.425   9.163  13.142  1.00  0.00      SOLV
ATOM   1668  H2  TIP3  548     -11.968   9.288  12.772  1.00  0.00      SOLV
ATOM   1669  OH2 TIP3  549     -12.215   9.766   8.180  1.00  0.00      SOLV
ATOM   1670  H1  TIP3  549     -11.386  10.234   7.990  1.00  0.00      SOLV
ATOM   1671  H2  TIP3  549     -12.753  10.167   7.486  1.00  0.00      SOLV
ATOM   1672  OH2 TIP3  550     -10.177  11.312  12.110  1.00  0.00      SOLV
ATOM   1673  H1  TIP3  550     -11.005  11.378  11.597  1.00  0.00      SOLV
ATOM   1674  H2  TIP3  550      -9.961  10.354  11.998  1.00  0.00      SOLV
ATOM   1675  OH2 TIP3  551      -7.142  10.996   9.748  1.00  0.00      SOLV
ATOM   1676  H1  TIP3  551      -6.189  10.919   9.607  1.00  0.00      SOLV
ATOM   1677  H2  TIP3  551      -7.418  11.461   8.921  1.00  0.00      SOLV
ATOM   1678  OH2 TIP3  552      -7.684  11.916   7.273  1.00  0.00      SOLV
ATOM   1679  H1  TIP3  552      -8.208  11.695   6.486  1.00  0.00      SOLV
ATOM   1680  H2  TIP3  552      -6.909  12.365   6.866  1.00  0.00      SOLV
ATOM   1681  OH2 TIP3  553      -9.452   8.689  11.961  1.00  0.00      SOLV
ATOM   1682  H1  TIP3  553      -9.914   7.822  11.890  1.00  0.00      SOLV
ATOM   1683  H2  TIP3  553      -8.556   8.441  11.705  1.00  0.00      SOLV
ATOM   1684  OH2 TIP3  554      -1.238   9.526   7.888  1.00  0.00      SOLV
ATOM   1685  H1  TIP3  554      -2.075   9.186   7.483  1.00  0.00      SOLV
ATOM   1686  H2  TIP3  554      -1.458  10.458   7.971  1.00  0.00      SOLV
ATOM   1687  OH2 TIP3  555       0.011  12.147   9.139  1.00  0.00      SOLV
ATOM   1688  H1  TIP3  555       0.572  11.595   9.713  1.00  0.00      SOLV
ATOM   1689  H2  TIP3  555       0.340  11.862   8.275  1.00  0.00      SOLV
ATOM   1690  OH2 TIP3  556       4.240  11.612   8.761  1.00  0.00      SOLV
ATOM   1691  H1  TIP3  556       3.886  11.462   7.847  1.00  0.00      SOLV
ATOM   1692  H2  TIP3  556       4.111  12.591   8.793  1.00  0.00      SOLV
ATOM   1693  OH2 TIP3  557      -1.261   8.074  10.209  1.00  0.00      SOLV
ATOM   1694  H1  TIP3  557      -1.266   8.621   9.395  1.00  0.00      SOLV
ATOM   1695  H2  TIP3  557      -0.876   8.693  10.869  1.00  0.00      SOLV
ATOM   1696  OH2 TIP3  558      -4.372  10.257  10.916  1.00  0.00      SOLV
ATOM   1697  H1  TIP3  558      -3.655  10.920  10.783  1.00  0.00      SOLV
ATOM   1698  H2  TIP3  558      -4.723  10.543  11.768  1.00  0.00      SOLV
ATOM   1699  OH2 TIP3  559      -3.653   7.082  11.040  1.00  0.00      SOLV
ATOM   1700  H1  TIP3  559      -3.844   7.913  11.500  1.00  0.00      SOLV
ATOM   1701  H2  TIP3  559      -2.747   7.282  10.710  1.00  0.00      SOLV
ATOM   1702  OH2 TIP3  560      -7.798   8.663   8.233  1.00  0.00      SOLV
ATOM   1703  H1  TIP3  560      -7.912   9.454   8.789  1.00  0.00      SOLV
ATOM   1704  H2  TIP3  560      -6.916   8.368   8.552  1.00  0.00      SOLV
ATOM   1705  OH2 TIP3  561     -11.355  11.868   6.638  1.00  0.00      SOLV
ATOM   1706  H1  TIP3  561     -11.592  12.719   7.071  1.00  0.00      SOLV
ATOM   1707  H2  TIP3  561     -11.777  11.962   5.782  1.00  0.00      SOLV
ATOM   1708  OH2 TIP3  562      -5.582  13.032   6.039  1.00  0.00      SOLV
ATOM   1709  H1  TIP3  562      -5.386  13.879   5.577  1.00  0.00      SOLV
ATOM   1710  H2  TIP3  562      -4.679  12.811   6.346  1.00  0.00      SOLV
ATOM   1711  OH2 TIP3  563       3.275  11.333   6.281  1.00  0.00      SOLV
ATOM   1712  H1  TIP3  563       3.755  11.818   5.587  1.00  0.00      SOLV
ATOM   1713  H2  TIP3  563       2.928  10.572   5.770  1.00  0.00      SOLV
ATOM   1714  OH2 TIP3  564       2.690  12.617  12.250  1.00  0.00      SOLV
ATOM   1715  H1  TIP3  564       2.646  11.898  11.595  1.00  0.00      SOLV
ATOM   1716  H2  TIP3  564       1.811  13.007  12.168  1.00  0.00      SOLV
ATOM   1717  OH2 TIP3  565       2.422   8.975   5.149  1.00  0.00      SOLV
ATOM   1718  H1  TIP3  565       2.807   8.491   5.908  1.00  0.00      SOLV
ATOM   1719  H2  TIP3  565       1.476   8.718   5.195  1.00  0.00      SOLV
ATOM   1720  OH2 TIP3  566       2.165  10.651  10.307  1.00  0.00      SOLV
ATOM   1721  H1  TIP3  566       2.337   9.678  10.316  1.00  0.00      SOLV
ATOM   1722  H2  TIP3  566       2.901  10.924   9.717  1.00  0.00      SOLV
ATOM   1723  OH2 TIP3  567       2.814   8.004  10.372  1.00  0.00      SOLV
ATOM   1724  H1  TIP3  567       3.012   7.494  11.189  1.00  0.00      SOLV
ATOM   1725  H2  TIP3  567       2.128   7.417   9.984  1.00  0.00      SOLV
ATOM   1726  OH2 TIP3  568       4.057   7.828   7.091  1.00  0.00      SOLV
ATOM   1727  H1  TIP3  568       4.577   7.212   6.537  1.00  0.00      SOLV
ATOM   1728  H2  TIP3  568       4.734   8.495   7.324  1.00  0.00      SOLV
ATOM   1729  OH2 TIP3  569     -12.970   7.895   9.957  1.00  0.00      SOLV
ATOM   1730  H1  TIP3  569     -13.021   8.372  10.810  1.00  0.00      SOLV
ATOM   1731  H2  TIP3  569     -12.721   8.638   9.360  1.00  0.00      SOLV
ATOM   1732  OH2 TIP3  570       3.669   6.619  12.534  1.00  0.00      SOLV
ATOM   1733  H1  TIP3  570       4.340   5.918  12.421  1.00  0.00      SOLV
ATOM   1734  H2  TIP3  570       4.258   7.342  12.817  1.00  0.00      SOLV
ATOM   1735  OH2 TIP3  571     -10.783   6.333  11.858  1.00  0.00      SOLV
ATOM   1736  H1  TIP3  571     -11.222   6.167  11.018  1.00  0.00      SOLV
ATOM   1737  H2  TIP3  571     -10.404   5.446  12.050  1.00  0.00      SOLV
ATOM   1738  OH2 TIP3  572     -11.880   6.120   8.148  1.00  0.00      SOLV
ATOM   1739  H1  TIP3  572     -11.184   6.631   7.680  1.00  0.00      SOLV
ATOM   1740  H2  TIP3  572     -12.236   6.799   8.762  1.00  0.00      SOLV
ATOM   1741  OH2 TIP3  573      -6.110   6.082  12.070  1.00  0.00      SOLV
ATOM   1742  H1  TIP3  573      -5.212   6.293  11.766  1.00  0.00      SOLV
ATOM   1743  H2  TIP3  573      -6.091   5.123  12.165  1.00  0.00      SOLV
ATOM   1744  OH2 TIP3  574       0.788   6.340   9.524  1.00  0.00      SOLV
ATOM   1745  H1  TIP3  574       0.013   6.911   9.709  1.00  0.00      SOLV
ATOM   1746  H2  TIP3  574       0.348   5.463   9.580  1.00  0.00      SOLV
ATOM   1747  OH2 TIP3  575      -9.827   7.450   6.775  1.00  0.00      SOLV
ATOM   1748  H1  TIP3  575      -9.310   6.930   6.128  1.00  0.00      SOLV
ATOM   1749  H2  TIP3  575      -9.115   7.832   7.335  1.00  0.00      SOLV
ATOM   1750  OH2 TIP3  576      -5.217   8.392   9.088  1.00  0.00      SOLV
ATOM   1751  H1  TIP3  576      -4.816   7.598   9.486  1.00  0.00      SOLV
ATOM   1752  H2  TIP3  576      -4.921   9.073   9.732  1.00  0.00      SOLV
ATOM   1753  OH2 TIP3  577       6.216  12.742  10.782  1.00  0.00      SOLV
ATOM   1754  H1  TIP3  577       6.083  13.556  10.272  1.00  0.00      SOLV
ATOM   1755  H2  TIP3  577       5.611  12.143  10.320  1.00  0.00      SOLV
ATOM   1756  OH2 TIP3  578      11.100  11.104  12.354  1.00  0.00      SOLV
ATOM   1757  H1  TIP3  578      10.148  11.262  12.182  1.00  0.00      SOLV
ATOM   1758  H2  TIP3  578      11.431  11.034  11.431  1.00  0.00      SOLV
ATOM   1759  OH2 TIP3  579      12.480  10.007   5.620  1.00  0.00      SOLV
ATOM   1760  H1  TIP3  579      12.183   9.366   6.294  1.00  0.00      SOLV
ATOM   1761  H2  TIP3  579      11.766   9.972   4.970  1.00  0.00      SOLV
ATOM   1762  OH2 TIP3  580       5.837   8.297  12.915  1.00  0.00      SOLV
ATOM   1763  H1  TIP3  580       6.740   8.502  13.187  1.00  0.00      SOLV
ATOM   1764  H2  TIP3  580       5.954   8.193  11.946  1.00  0.00      SOLV
ATOM   1765  OH2 TIP3  581       5.968   9.707   7.938  1.00  0.00      SOLV
ATOM   1766  H1  TIP3  581       6.666  10.282   7.561  1.00  0.00      SOLV
ATOM   1767  H2  TIP3  581       5.377  10.402   8.298  1.00  0.00      SOLV
ATOM   1768  OH2 TIP3  582       8.363  11.320  11.953  1.00  0.00      SOLV
ATOM   1769  H1  TIP3  582       7.566  11.591  11.455  1.00  0.00      SOLV
ATOM   1770  H2  TIP3  582       8.416  10.357  11.751  1.00  0.00      SOLV
ATOM   1771  OH2 TIP3  583      11.987  10.955   9.711  1.00  0.00      SOLV
ATOM   1772  H1  TIP3  583      12.840  11.411   9.660  1.00  0.00      SOLV
ATOM   1773  H2  TIP3  583      11.518  11.369   8.947  1.00  0.00      SOLV
ATOM   1774  OH2 TIP3  584      10.835  11.808   7.474  1.00  0.00      SOLV
ATOM   1775  H1  TIP3  584       9.912  11.929   7.210  1.00  0.00      SOLV
ATOM   1776  H2  TIP3  584      11.236  11.458   6.665  1.00  0.00      SOLV
ATOM   1777  OH2 TIP3  585       8.949   8.660  11.645  1.00  0.00      SOLV
ATOM   1778  H1  TIP3  585       8.618   7.740  11.768  1.00  0.00      SOLV
ATOM   1779  H2  TIP3  585       9.844   8.487  11.336  1.00  0.00      SOLV
ATOM   1780  OH2 TIP3  586      11.436   8.610   7.911  1.00  0.00      SOLV
ATOM   1781  H1  TIP3  586      11.493   9.350   8.543  1.00  0.00      SOLV
ATOM   1782  H2  TIP3  586      11.939   7.925   8.380  1.00  0.00      SOLV
ATOM   1783  OH2 TIP3  587       7.481  11.899   7.038  1.00  0.00      SOLV
ATOM   1784  H1  TIP3  587       7.396  12.734   7.553  1.00  0.00      SOLV
ATOM   1785  H2  TIP3  587       7.245  12.205   6.157  1.00  0.00      SOLV
ATOM   1786  OH2 TIP3  588       5.702   8.039  10.122  1.00  0.00      SOLV
ATOM   1787  H1  TIP3  588       4.729   7.972  10.101  1.00  0.00      SOLV
ATOM   1788  H2  TIP3  588       5.869   8.638   9.367  1.00  0.00      SOLV
ATOM   1789  OH2 TIP3  589       8.118   6.162  12.222  1.00  0.00      SOLV
ATOM   1790  H1  TIP3  589       7.194   5.847  12.150  1.00  0.00      SOLV
ATOM   1791  H2  TIP3  589       8.575   5.302  12.126  1.00  0.00      SOLV
ATOM   1792  OH2 TIP3  590       7.240   6.173   8.375  1.00  0.00      SOLV
ATOM   1793  H1  TIP3  590       7.795   6.735   7.801  1.00  0.00      SOLV
ATOM   1794  H2  TIP3  590       6.845   6.817   8.985  1.00  0.00      SOLV
ATOM   1795  OH2 TIP3  591      12.672   5.671  12.388  1.00  0.00      SOLV
ATOM   1796  H1  TIP3  591      13.455   6.140  12.084  1.00  0.00      SOLV
ATOM   1797  H2  TIP3  591      12.898   5.419  13.300  1.00  0.00      SOLV
ATOM   1798  OH2 TIP3  592       9.071   7.621   6.638  1.00  0.00      SOLV
ATOM   1799  H1  TIP3  592       9.494   6.987   6.028  1.00  0.00      SOLV
ATOM   1800  H2  TIP3  592       9.845   7.955   7.135  1.00  0.00      SOLV
ATOM   1801  SOD SOD     1      -8.032   5.354  -7.781  1.00  0.00      SOD 
ATOM   1802  CLA CLA     1      -5.382   2.471   7.495  1.00  0.00      CLA 
TER    1803      CLA      1
END