test_charmm_peptide_3.pdb

REMARK   1 CREATED WITH OPENMM 8.3, 2025-07-01
CRYST1   24.000   24.000   24.000  90.00  90.00  90.00 P 1           1 
ATOM      1  N   GLY A   1      -6.274  -1.954   4.174  1.00  0.00           N  
ATOM      2  CA  GLY A   1      -6.600  -1.462   2.797  1.00  0.00           C  
ATOM      3  C   GLY A   1      -5.465  -1.599   1.823  1.00  0.00           C  
ATOM      4  O   GLY A   1      -4.649  -2.500   1.958  1.00  0.00           O  
ATOM      5  H   GLY A   1      -5.496  -1.418   4.630  1.00  0.00           H  
ATOM      6  H2  GLY A   1      -5.943  -2.956   4.190  1.00  0.00           H  
ATOM      7  H3  GLY A   1      -7.112  -1.843   4.800  1.00  0.00           H  
ATOM      8  HA2 GLY A   1      -7.410  -2.070   2.428  1.00  0.00           H  
ATOM      9  HA3 GLY A   1      -6.850  -0.414   2.880  1.00  0.00           H  
ATOM     10  N   TYR A   2      -5.371  -0.720   0.809  1.00  0.00           N  
ATOM     11  CA  TYR A   2      -4.230  -0.674  -0.093  1.00  0.00           C  
ATOM     12  C   TYR A   2      -3.463   0.617   0.174  1.00  0.00           C  
ATOM     13  O   TYR A   2      -4.013   1.720   0.097  1.00  0.00           O  
ATOM     14  CB  TYR A   2      -4.675  -0.812  -1.581  1.00  0.00           C  
ATOM     15  CG  TYR A   2      -3.519  -0.744  -2.554  1.00  0.00           C  
ATOM     16  CD1 TYR A   2      -2.895  -1.910  -3.034  1.00  0.00           C  
ATOM     17  CD2 TYR A   2      -3.072   0.501  -3.024  1.00  0.00           C  
ATOM     18  CE1 TYR A   2      -1.832  -1.825  -3.948  1.00  0.00           C  
ATOM     19  CE2 TYR A   2      -2.004   0.591  -3.923  1.00  0.00           C  
ATOM     20  CZ  TYR A   2      -1.385  -0.573  -4.387  1.00  0.00           C  
ATOM     21  OH  TYR A   2      -0.316  -0.471  -5.298  1.00  0.00           O  
ATOM     22  H   TYR A   2      -6.085  -0.031   0.647  1.00  0.00           H  
ATOM     23  HA  TYR A   2      -3.549  -1.489   0.122  1.00  0.00           H  
ATOM     24  HB2 TYR A   2      -5.184  -1.790  -1.715  1.00  0.00           H  
ATOM     25  HB3 TYR A   2      -5.401  -0.010  -1.835  1.00  0.00           H  
ATOM     26  HD1 TYR A   2      -3.234  -2.877  -2.691  1.00  0.00           H  
ATOM     27  HD2 TYR A   2      -3.545   1.404  -2.672  1.00  0.00           H  
ATOM     28  HE1 TYR A   2      -1.347  -2.721  -4.309  1.00  0.00           H  
ATOM     29  HE2 TYR A   2      -1.671   1.562  -4.257  1.00  0.00           H  
ATOM     30  HH  TYR A   2      -0.007   0.453  -5.271  1.00  0.00           H  
ATOM     31  N   ASP A   3      -2.169   0.498   0.522  1.00  0.00           N  
ATOM     32  CA  ASP A   3      -1.368   1.602   1.002  1.00  0.00           C  
ATOM     33  C   ASP A   3      -0.444   2.119  -0.108  1.00  0.00           C  
ATOM     34  O   ASP A   3       0.309   1.327  -0.683  1.00  0.00           O  
ATOM     35  CB  ASP A   3      -0.589   1.125   2.261  1.00  0.00           C  
ATOM     36  CG  ASP A   3       0.254   2.181   2.948  1.00  0.00           C  
ATOM     37  OD1 ASP A   3       0.313   3.347   2.481  1.00  0.00           O  
ATOM     38  OD2 ASP A   3       0.843   1.853   4.007  1.00  0.00           O  
ATOM     39  H   ASP A   3      -1.713  -0.394   0.509  1.00  0.00           H  
ATOM     40  HA  ASP A   3      -2.028   2.392   1.327  1.00  0.00           H  
ATOM     41  HB2 ASP A   3      -1.326   0.748   3.001  1.00  0.00           H  
ATOM     42  HB3 ASP A   3       0.077   0.281   1.990  1.00  0.00           H  
ATOM     43  N   PRO A   4      -0.421   3.407  -0.468  1.00  0.00           N  
ATOM     44  CA  PRO A   4       0.523   3.917  -1.451  1.00  0.00           C  
ATOM     45  C   PRO A   4       1.936   4.056  -0.894  1.00  0.00           C  
ATOM     46  O   PRO A   4       2.826   4.393  -1.677  1.00  0.00           O  
ATOM     47  CB  PRO A   4      -0.079   5.283  -1.835  1.00  0.00           C  
ATOM     48  CG  PRO A   4      -0.797   5.747  -0.565  1.00  0.00           C  
ATOM     49  CD  PRO A   4      -1.358   4.438  -0.009  1.00  0.00           C  
ATOM     50  HA  PRO A   4       0.575   3.234  -2.287  1.00  0.00           H  
ATOM     51  HB2 PRO A   4       0.670   6.015  -2.196  1.00  0.00           H  
ATOM     52  HB3 PRO A   4      -0.834   5.124  -2.638  1.00  0.00           H  
ATOM     53  HG2 PRO A   4      -0.057   6.166   0.152  1.00  0.00           H  
ATOM     54  HG3 PRO A   4      -1.586   6.497  -0.769  1.00  0.00           H  
ATOM     55  HD2 PRO A   4      -1.420   4.470   1.100  1.00  0.00           H  
ATOM     56  HD3 PRO A   4      -2.358   4.222  -0.441  1.00  0.00           H  
ATOM     57  N   GLU A   5       2.208   3.789   0.404  1.00  0.00           N  
ATOM     58  CA  GLU A   5       3.575   3.720   0.907  1.00  0.00           C  
ATOM     59  C   GLU A   5       4.167   2.385   0.491  1.00  0.00           C  
ATOM     60  O   GLU A   5       5.100   2.323  -0.311  1.00  0.00           O  
ATOM     61  CB  GLU A   5       3.623   3.859   2.458  1.00  0.00           C  
ATOM     62  CG  GLU A   5       4.941   4.475   3.016  1.00  0.00           C  
ATOM     63  CD  GLU A   5       6.166   3.568   3.104  1.00  0.00           C  
ATOM     64  OE1 GLU A   5       6.123   2.356   2.791  1.00  0.00           O  
ATOM     65  OE2 GLU A   5       7.228   4.108   3.518  1.00  0.00           O  
ATOM     66  H   GLU A   5       1.469   3.588   1.066  1.00  0.00           H  
ATOM     67  HA  GLU A   5       4.163   4.506   0.457  1.00  0.00           H  
ATOM     68  HB2 GLU A   5       2.796   4.558   2.719  1.00  0.00           H  
ATOM     69  HB3 GLU A   5       3.379   2.916   2.991  1.00  0.00           H  
ATOM     70  HG2 GLU A   5       5.230   5.358   2.408  1.00  0.00           H  
ATOM     71  HG3 GLU A   5       4.753   4.809   4.061  1.00  0.00           H  
ATOM     72  N   THR A   6       3.591   1.274   0.992  1.00  0.00           N  
ATOM     73  CA  THR A   6       4.025  -0.081   0.690  1.00  0.00           C  
ATOM     74  C   THR A   6       3.861  -0.453  -0.774  1.00  0.00           C  
ATOM     75  O   THR A   6       4.703  -1.128  -1.367  1.00  0.00           O  
ATOM     76  CB  THR A   6       3.349  -1.151   1.555  1.00  0.00           C  
ATOM     77  OG1 THR A   6       1.959  -1.285   1.287  1.00  0.00           O  
ATOM     78  CG2 THR A   6       3.485  -0.794   3.042  1.00  0.00           C  
ATOM     79  H   THR A   6       2.834   1.352   1.638  1.00  0.00           H  
ATOM     80  HA  THR A   6       5.081  -0.120   0.905  1.00  0.00           H  
ATOM     81  HB  THR A   6       3.850  -2.132   1.383  1.00  0.00           H  
ATOM     82  HG1 THR A   6       1.746  -2.222   1.446  1.00  0.00           H  
ATOM     83 HG21 THR A   6       4.548  -0.623   3.308  1.00  0.00           H  
ATOM     84 HG22 THR A   6       3.092  -1.616   3.677  1.00  0.00           H  
ATOM     85 HG23 THR A   6       2.911   0.125   3.290  1.00  0.00           H  
ATOM     86  N   GLY A   7       2.732  -0.043  -1.394  1.00  0.00           N  
ATOM     87  CA  GLY A   7       2.294  -0.524  -2.698  1.00  0.00           C  
ATOM     88  C   GLY A   7       1.749  -1.925  -2.606  1.00  0.00           C  
ATOM     89  O   GLY A   7       1.874  -2.720  -3.537  1.00  0.00           O  
ATOM     90  H   GLY A   7       2.077   0.525  -0.885  1.00  0.00           H  
ATOM     91  HA2 GLY A   7       1.485   0.111  -3.025  1.00  0.00           H  
ATOM     92  HA3 GLY A   7       3.133  -0.535  -3.378  1.00  0.00           H  
ATOM     93  N   THR A   8       1.164  -2.268  -1.443  1.00  0.00           N  
ATOM     94  CA  THR A   8       0.659  -3.596  -1.128  1.00  0.00           C  
ATOM     95  C   THR A   8      -0.714  -3.461  -0.520  1.00  0.00           C  
ATOM     96  O   THR A   8      -1.117  -2.416  -0.012  1.00  0.00           O  
ATOM     97  CB  THR A   8       1.524  -4.433  -0.142  1.00  0.00           C  
ATOM     98  OG1 THR A   8       1.450  -4.052   1.238  1.00  0.00           O  
ATOM     99  CG2 THR A   8       2.998  -4.389  -0.556  1.00  0.00           C  
ATOM    100  H   THR A   8       1.101  -1.590  -0.707  1.00  0.00           H  
ATOM    101  HA  THR A   8       0.553  -4.152  -2.049  1.00  0.00           H  
ATOM    102  HB  THR A   8       1.192  -5.496  -0.208  1.00  0.00           H  
ATOM    103  HG1 THR A   8       0.585  -4.376   1.558  1.00  0.00           H  
ATOM    104 HG21 THR A   8       3.107  -4.694  -1.616  1.00  0.00           H  
ATOM    105 HG22 THR A   8       3.601  -5.075   0.075  1.00  0.00           H  
ATOM    106 HG23 THR A   8       3.411  -3.367  -0.446  1.00  0.00           H  
ATOM    107  N   TRP A   9      -1.462  -4.578  -0.508  1.00  0.00           N  
ATOM    108  CA  TRP A   9      -2.525  -4.792   0.454  1.00  0.00           C  
ATOM    109  C   TRP A   9      -2.001  -4.857   1.883  1.00  0.00           C  
ATOM    110  O   TRP A   9      -0.888  -5.328   2.130  1.00  0.00           O  
ATOM    111  CB  TRP A   9      -3.350  -6.057   0.104  1.00  0.00           C  
ATOM    112  CG  TRP A   9      -4.143  -5.868  -1.151  1.00  0.00           C  
ATOM    113  CD1 TRP A   9      -3.856  -6.312  -2.418  1.00  0.00           C  
ATOM    114  CD2 TRP A   9      -5.318  -5.049  -1.263  1.00  0.00           C  
ATOM    115  NE1 TRP A   9      -4.778  -5.798  -3.300  1.00  0.00           N  
ATOM    116  CE2 TRP A   9      -5.671  -5.021  -2.629  1.00  0.00           C  
ATOM    117  CE3 TRP A   9      -6.093  -4.351  -0.338  1.00  0.00           C  
ATOM    118  CZ2 TRP A   9      -6.740  -4.269  -3.089  1.00  0.00           C  
ATOM    119  CZ3 TRP A   9      -7.168  -3.590  -0.803  1.00  0.00           C  
ATOM    120  CH2 TRP A   9      -7.476  -3.534  -2.159  1.00  0.00           C  
ATOM    121  H   TRP A   9      -1.187  -5.386  -1.019  1.00  0.00           H  
ATOM    122  HA  TRP A   9      -3.179  -3.929   0.412  1.00  0.00           H  
ATOM    123  HB2 TRP A   9      -2.666  -6.925  -0.011  1.00  0.00           H  
ATOM    124  HB3 TRP A   9      -4.055  -6.294   0.927  1.00  0.00           H  
ATOM    125  HD1 TRP A   9      -3.027  -6.967  -2.668  1.00  0.00           H  
ATOM    126  HE1 TRP A   9      -4.916  -6.066  -4.233  1.00  0.00           H  
ATOM    127  HE3 TRP A   9      -5.853  -4.369   0.717  1.00  0.00           H  
ATOM    128  HZ2 TRP A   9      -6.984  -4.220  -4.136  1.00  0.00           H  
ATOM    129  HZ3 TRP A   9      -7.753  -3.012  -0.097  1.00  0.00           H  
ATOM    130  HH2 TRP A   9      -8.282  -2.899  -2.504  1.00  0.00           H  
ATOM    131  N   GLY A  10      -2.783  -4.355   2.843  1.00  0.00           N  
ATOM    132  CA  GLY A  10      -2.436  -4.301   4.245  1.00  0.00           C  
ATOM    133  C   GLY A  10      -3.699  -4.095   5.082  1.00  0.00           C  
ATOM    134  O   GLY A  10      -3.551  -3.810   6.300  1.00  0.00           O  
ATOM    135  OXT GLY A  10      -4.845  -4.199   4.566  1.00  0.00           O  
ATOM    136  H   GLY A  10      -3.656  -3.912   2.620  1.00  0.00           H  
ATOM    137  HA2 GLY A  10      -1.986  -5.233   4.552  1.00  0.00           H  
ATOM    138  HA3 GLY A  10      -1.800  -3.438   4.395  1.00  0.00           H  
TER     139      GLY A  10
HETATM  140  O   HOH B   1       5.537   2.848  -8.373  1.00  0.00           O  
HETATM  141  H1  HOH B   1       5.578   2.076  -8.939  1.00  0.00           H  
HETATM  142  H2  HOH B   1       4.698   3.257  -8.585  1.00  0.00           H  
HETATM  143  O   HOH B   2       5.119  -9.650   9.219  1.00  0.00           O  
HETATM  144  H1  HOH B   2       5.020 -10.379   8.606  1.00  0.00           H  
HETATM  145  H2  HOH B   2       4.405  -9.052   8.998  1.00  0.00           H  
HETATM  146  O   HOH B   3      -6.058   6.083  10.429  1.00  0.00           O  
HETATM  147  H1  HOH B   3      -6.940   5.720  10.349  1.00  0.00           H  
HETATM  148  H2  HOH B   3      -5.477   5.338  10.276  1.00  0.00           H  
HETATM  149  O   HOH B   4     -10.533  -0.449  -2.899  1.00  0.00           O  
HETATM  150  H1  HOH B   4     -10.613   0.471  -3.149  1.00  0.00           H  
HETATM  151  H2  HOH B   4     -10.545  -0.925  -3.730  1.00  0.00           H  
HETATM  152  O   HOH B   5       4.857   6.167  -1.839  1.00  0.00           O  
HETATM  153  H1  HOH B   5       4.230   5.458  -1.698  1.00  0.00           H  
HETATM  154  H2  HOH B   5       4.893   6.269  -2.790  1.00  0.00           H  
HETATM  155  O   HOH B   6       7.885  -1.776  -4.397  1.00  0.00           O  
HETATM  156  H1  HOH B   6       7.796  -1.088  -5.056  1.00  0.00           H  
HETATM  157  H2  HOH B   6       7.975  -1.306  -3.569  1.00  0.00           H  
HETATM  158  O   HOH B   7       5.952   8.895  -8.581  1.00  0.00           O  
HETATM  159  H1  HOH B   7       5.794   9.752  -8.183  1.00  0.00           H  
HETATM  160  H2  HOH B   7       6.902   8.850  -8.684  1.00  0.00           H  
HETATM  161  O   HOH B   8      -8.922   8.767  -7.817  1.00  0.00           O  
HETATM  162  H1  HOH B   8      -7.991   8.991  -7.809  1.00  0.00           H  
HETATM  163  H2  HOH B   8      -8.974   7.941  -7.337  1.00  0.00           H  
HETATM  164  O   HOH B   9      -0.118   2.251 -10.674  1.00  0.00           O  
HETATM  165  H1  HOH B   9      -0.009   2.429 -11.608  1.00  0.00           H  
HETATM  166  H2  HOH B   9       0.669   2.612 -10.267  1.00  0.00           H  
HETATM  167  O   HOH B  10       4.631   8.796   1.859  1.00  0.00           O  
HETATM  168  H1  HOH B  10       5.343   9.077   2.433  1.00  0.00           H  
HETATM  169  H2  HOH B  10       5.042   8.686   1.002  1.00  0.00           H  
HETATM  170  O   HOH B  11       0.775  10.971  -2.895  1.00  0.00           O  
HETATM  171  H1  HOH B  11       0.907  11.806  -3.344  1.00  0.00           H  
HETATM  172  H2  HOH B  11       0.524  10.362  -3.590  1.00  0.00           H  
HETATM  173  O   HOH B  12      -9.453  -5.591  -5.442  1.00  0.00           O  
HETATM  174  H1  HOH B  12      -9.991  -5.766  -6.214  1.00  0.00           H  
HETATM  175  H2  HOH B  12      -8.674  -5.154  -5.786  1.00  0.00           H  
HETATM  176  O   HOH B  13      -7.625 -11.557   4.412  1.00  0.00           O  
HETATM  177  H1  HOH B  13      -7.176 -11.719   5.241  1.00  0.00           H  
HETATM  178  H2  HOH B  13      -7.877 -12.427   4.102  1.00  0.00           H  
HETATM  179  O   HOH B  14      -0.215  -8.012   4.986  1.00  0.00           O  
HETATM  180  H1  HOH B  14       0.375  -7.301   5.236  1.00  0.00           H  
HETATM  181  H2  HOH B  14       0.056  -8.751   5.532  1.00  0.00           H  
HETATM  182  O   HOH B  15       1.536 -10.442  -3.799  1.00  0.00           O  
HETATM  183  H1  HOH B  15       2.447 -10.338  -3.526  1.00  0.00           H  
HETATM  184  H2  HOH B  15       1.493 -10.020  -4.657  1.00  0.00           H  
HETATM  185  O   HOH B  16      -3.760  -5.920  -8.515  1.00  0.00           O  
HETATM  186  H1  HOH B  16      -3.398  -5.033  -8.517  1.00  0.00           H  
HETATM  187  H2  HOH B  16      -3.358  -6.342  -7.756  1.00  0.00           H  
HETATM  188  O   HOH B  17      -2.693  -9.855   1.082  1.00  0.00           O  
HETATM  189  H1  HOH B  17      -2.488  -9.862   0.147  1.00  0.00           H  
HETATM  190  H2  HOH B  17      -2.003  -9.320   1.475  1.00  0.00           H  
HETATM  191  O   HOH B  18       6.678  -8.152  -7.878  1.00  0.00           O  
HETATM  192  H1  HOH B  18       6.086  -8.263  -8.622  1.00  0.00           H  
HETATM  193  H2  HOH B  18       6.982  -7.247  -7.947  1.00  0.00           H  
HETATM  194  O   HOH B  19       6.849   9.206   3.500  1.00  0.00           O  
HETATM  195  H1  HOH B  19       7.332   9.528   4.261  1.00  0.00           H  
HETATM  196  H2  HOH B  19       7.527   8.964   2.870  1.00  0.00           H  
HETATM  197  O   HOH B  20      -6.563  -7.490   0.689  1.00  0.00           O  
HETATM  198  H1  HOH B  20      -6.786  -6.686   0.219  1.00  0.00           H  
HETATM  199  H2  HOH B  20      -5.944  -7.941   0.115  1.00  0.00           H  
HETATM  200  O   HOH B  21       0.862  -6.872  10.573  1.00  0.00           O  
HETATM  201  H1  HOH B  21       1.480  -7.063  11.279  1.00  0.00           H  
HETATM  202  H2  HOH B  21       1.342  -7.082   9.772  1.00  0.00           H  
HETATM  203  O   HOH B  22       2.392   6.752  -4.198  1.00  0.00           O  
HETATM  204  H1  HOH B  22       2.263   5.812  -4.323  1.00  0.00           H  
HETATM  205  H2  HOH B  22       2.032   7.151  -4.990  1.00  0.00           H  
HETATM  206  O   HOH B  23      -6.306   1.397  -4.615  1.00  0.00           O  
HETATM  207  H1  HOH B  23      -6.233   0.447  -4.519  1.00  0.00           H  
HETATM  208  H2  HOH B  23      -6.945   1.656  -3.951  1.00  0.00           H  
HETATM  209  O   HOH B  24      -6.524   6.577   1.057  1.00  0.00           O  
HETATM  210  H1  HOH B  24      -7.057   5.994   1.598  1.00  0.00           H  
HETATM  211  H2  HOH B  24      -5.838   6.892   1.647  1.00  0.00           H  
HETATM  212  O   HOH B  25       2.146   5.045  -6.932  1.00  0.00           O  
HETATM  213  H1  HOH B  25       2.321   4.580  -7.750  1.00  0.00           H  
HETATM  214  H2  HOH B  25       2.584   4.523  -6.260  1.00  0.00           H  
HETATM  215  O   HOH B  26      -6.602 -11.097  -6.482  1.00  0.00           O  
HETATM  216  H1  HOH B  26      -6.426 -12.011  -6.257  1.00  0.00           H  
HETATM  217  H2  HOH B  26      -6.436 -10.614  -5.672  1.00  0.00           H  
HETATM  218  O   HOH B  27      -2.022  10.663  -5.937  1.00  0.00           O  
HETATM  219  H1  HOH B  27      -1.845  10.139  -5.156  1.00  0.00           H  
HETATM  220  H2  HOH B  27      -1.221  10.597  -6.457  1.00  0.00           H  
HETATM  221  O   HOH B  28      -0.632  -7.785  -5.019  1.00  0.00           O  
HETATM  222  H1  HOH B  28      -0.605  -8.054  -4.101  1.00  0.00           H  
HETATM  223  H2  HOH B  28       0.157  -8.165  -5.404  1.00  0.00           H  
HETATM  224  O   HOH B  29      -8.405  -7.943  -1.758  1.00  0.00           O  
HETATM  225  H1  HOH B  29      -7.812  -8.223  -2.456  1.00  0.00           H  
HETATM  226  H2  HOH B  29      -9.141  -7.537  -2.217  1.00  0.00           H  
HETATM  227  O   HOH B  30      -1.445  -8.169 -10.454  1.00  0.00           O  
HETATM  228  H1  HOH B  30      -1.200  -7.249 -10.552  1.00  0.00           H  
HETATM  229  H2  HOH B  30      -0.618  -8.646 -10.517  1.00  0.00           H  
HETATM  230  O   HOH B  31      -8.227  -0.672   5.665  1.00  0.00           O  
HETATM  231  H1  HOH B  31      -8.691  -1.152   6.352  1.00  0.00           H  
HETATM  232  H2  HOH B  31      -8.225   0.236   5.967  1.00  0.00           H  
HETATM  233  O   HOH B  32       0.662  -1.876  -9.602  1.00  0.00           O  
HETATM  234  H1  HOH B  32       0.736  -2.785  -9.312  1.00  0.00           H  
HETATM  235  H2  HOH B  32       1.546  -1.521  -9.510  1.00  0.00           H  
HETATM  236  O   HOH B  33      -2.358   0.465 -10.111  1.00  0.00           O  
HETATM  237  H1  HOH B  33      -1.604   0.991 -10.379  1.00  0.00           H  
HETATM  238  H2  HOH B  33      -2.040  -0.051  -9.371  1.00  0.00           H  
HETATM  239  O   HOH B  34       2.781   8.262  -1.923  1.00  0.00           O  
HETATM  240  H1  HOH B  34       2.507   7.875  -2.754  1.00  0.00           H  
HETATM  241  H2  HOH B  34       3.318   7.586  -1.509  1.00  0.00           H  
HETATM  242  O   HOH B  35       8.445  -0.056  -2.328  1.00  0.00           O  
HETATM  243  H1  HOH B  35       8.027   0.798  -2.220  1.00  0.00           H  
HETATM  244  H2  HOH B  35       9.383   0.131  -2.305  1.00  0.00           H  
HETATM  245  O   HOH B  36      -2.142   0.300   6.816  1.00  0.00           O  
HETATM  246  H1  HOH B  36      -1.485   0.157   6.135  1.00  0.00           H  
HETATM  247  H2  HOH B  36      -1.696   0.072   7.632  1.00  0.00           H  
HETATM  248  O   HOH B  37      -2.880  -3.270  -8.784  1.00  0.00           O  
HETATM  249  H1  HOH B  37      -2.495  -3.274  -9.660  1.00  0.00           H  
HETATM  250  H2  HOH B  37      -2.475  -2.521  -8.347  1.00  0.00           H  
HETATM  251  O   HOH B  38      -7.329   2.233  11.246  1.00  0.00           O  
HETATM  252  H1  HOH B  38      -7.637   2.883  11.879  1.00  0.00           H  
HETATM  253  H2  HOH B  38      -6.433   2.037  11.520  1.00  0.00           H  
HETATM  254  O   HOH B  39      -9.130   2.689   1.982  1.00  0.00           O  
HETATM  255  H1  HOH B  39      -8.591   3.407   2.314  1.00  0.00           H  
HETATM  256  H2  HOH B  39      -9.952   2.762   2.467  1.00  0.00           H  
HETATM  257  O   HOH B  40      -2.662  -9.832  -1.733  1.00  0.00           O  
HETATM  258  H1  HOH B  40      -1.833  -9.442  -2.009  1.00  0.00           H  
HETATM  259  H2  HOH B  40      -2.883 -10.446  -2.433  1.00  0.00           H  
HETATM  260  O   HOH B  41      -6.472  -6.184   8.321  1.00  0.00           O  
HETATM  261  H1  HOH B  41      -6.069  -6.263   9.186  1.00  0.00           H  
HETATM  262  H2  HOH B  41      -6.160  -5.342   7.988  1.00  0.00           H  
HETATM  263  O   HOH B  42       3.401  -3.002   9.083  1.00  0.00           O  
HETATM  264  H1  HOH B  42       2.475  -3.062   8.849  1.00  0.00           H  
HETATM  265  H2  HOH B  42       3.653  -3.900   9.296  1.00  0.00           H  
HETATM  266  O   HOH B  43       4.809  -8.333   6.013  1.00  0.00           O  
HETATM  267  H1  HOH B  43       5.448  -7.722   6.380  1.00  0.00           H  
HETATM  268  H2  HOH B  43       4.089  -8.335   6.643  1.00  0.00           H  
HETATM  269  O   HOH B  44       8.437  -3.519   6.096  1.00  0.00           O  
HETATM  270  H1  HOH B  44       7.504  -3.682   6.230  1.00  0.00           H  
HETATM  271  H2  HOH B  44       8.742  -3.168   6.933  1.00  0.00           H  
HETATM  272  O   HOH B  45      -5.105   3.529  -9.986  1.00  0.00           O  
HETATM  273  H1  HOH B  45      -5.150   2.580  -9.878  1.00  0.00           H  
HETATM  274  H2  HOH B  45      -4.256   3.683 -10.402  1.00  0.00           H  
HETATM  275  O   HOH B  46      -2.952  -7.663  -6.468  1.00  0.00           O  
HETATM  276  H1  HOH B  46      -2.155  -7.714  -5.941  1.00  0.00           H  
HETATM  277  H2  HOH B  46      -2.879  -8.392  -7.085  1.00  0.00           H  
HETATM  278  O   HOH B  47      -0.777  -5.026   9.216  1.00  0.00           O  
HETATM  279  H1  HOH B  47      -0.149  -4.655   8.598  1.00  0.00           H  
HETATM  280  H2  HOH B  47      -0.272  -5.669   9.714  1.00  0.00           H  
HETATM  281  O   HOH B  48       7.919   5.148  -4.905  1.00  0.00           O  
HETATM  282  H1  HOH B  48       8.686   5.121  -5.478  1.00  0.00           H  
HETATM  283  H2  HOH B  48       7.174   5.200  -5.504  1.00  0.00           H  
HETATM  284  O   HOH B  49      -7.810   0.856   0.369  1.00  0.00           O  
HETATM  285  H1  HOH B  49      -8.253   1.392   1.028  1.00  0.00           H  
HETATM  286  H2  HOH B  49      -7.675   1.448  -0.370  1.00  0.00           H  
HETATM  287  O   HOH B  50      -7.736 -10.987  -1.071  1.00  0.00           O  
HETATM  288  H1  HOH B  50      -7.417 -10.648  -1.908  1.00  0.00           H  
HETATM  289  H2  HOH B  50      -7.821 -11.930  -1.210  1.00  0.00           H  
HETATM  290  O   HOH B  51      -9.496   3.246  -0.710  1.00  0.00           O  
HETATM  291  H1  HOH B  51      -9.511   3.071   0.231  1.00  0.00           H  
HETATM  292  H2  HOH B  51      -9.773   4.158  -0.789  1.00  0.00           H  
HETATM  293  O   HOH B  52      -3.852   2.604  -7.264  1.00  0.00           O  
HETATM  294  H1  HOH B  52      -3.752   2.717  -6.318  1.00  0.00           H  
HETATM  295  H2  HOH B  52      -3.242   3.235  -7.646  1.00  0.00           H  
HETATM  296  O   HOH B  53      -3.530   4.597   5.301  1.00  0.00           O  
HETATM  297  H1  HOH B  53      -3.742   3.734   5.656  1.00  0.00           H  
HETATM  298  H2  HOH B  53      -2.634   4.509   4.976  1.00  0.00           H  
HETATM  299  O   HOH B  54      -4.326  -8.608   2.985  1.00  0.00           O  
HETATM  300  H1  HOH B  54      -3.749  -9.019   2.341  1.00  0.00           H  
HETATM  301  H2  HOH B  54      -3.743  -8.349   3.699  1.00  0.00           H  
HETATM  302  O   HOH B  55      -0.068  10.265  -7.904  1.00  0.00           O  
HETATM  303  H1  HOH B  55      -0.236   9.647  -8.617  1.00  0.00           H  
HETATM  304  H2  HOH B  55       0.836  10.547  -8.039  1.00  0.00           H  
HETATM  305  O   HOH B  56      -8.063   9.449   7.308  1.00  0.00           O  
HETATM  306  H1  HOH B  56      -7.491   9.331   6.550  1.00  0.00           H  
HETATM  307  H2  HOH B  56      -8.755   8.799   7.190  1.00  0.00           H  
HETATM  308  O   HOH B  57       5.676  -3.028  -5.767  1.00  0.00           O  
HETATM  309  H1  HOH B  57       6.106  -2.639  -5.005  1.00  0.00           H  
HETATM  310  H2  HOH B  57       6.110  -3.874  -5.882  1.00  0.00           H  
HETATM  311  O   HOH B  58      -6.607   2.906  -6.919  1.00  0.00           O  
HETATM  312  H1  HOH B  58      -5.717   2.843  -7.266  1.00  0.00           H  
HETATM  313  H2  HOH B  58      -6.615   2.309  -6.170  1.00  0.00           H  
HETATM  314  O   HOH B  59       3.070  -0.637  -8.770  1.00  0.00           O  
HETATM  315  H1  HOH B  59       3.790  -0.575  -8.141  1.00  0.00           H  
HETATM  316  H2  HOH B  59       2.399  -0.048  -8.425  1.00  0.00           H  
HETATM  317  O   HOH B  60      -2.867   6.758  10.544  1.00  0.00           O  
HETATM  318  H1  HOH B  60      -3.063   5.822  10.498  1.00  0.00           H  
HETATM  319  H2  HOH B  60      -1.948   6.823  10.283  1.00  0.00           H  
HETATM  320  O   HOH B  61      -3.050   7.296  -8.490  1.00  0.00           O  
HETATM  321  H1  HOH B  61      -3.894   6.845  -8.519  1.00  0.00           H  
HETATM  322  H2  HOH B  61      -3.265   8.189  -8.218  1.00  0.00           H  
HETATM  323  O   HOH B  62       1.716  -8.908  -6.133  1.00  0.00           O  
HETATM  324  H1  HOH B  62       2.252  -8.328  -6.674  1.00  0.00           H  
HETATM  325  H2  HOH B  62       1.078  -9.282  -6.741  1.00  0.00           H  
HETATM  326  O   HOH B  63      -4.472   3.706  -1.928  1.00  0.00           O  
HETATM  327  H1  HOH B  63      -4.698   4.577  -1.602  1.00  0.00           H  
HETATM  328  H2  HOH B  63      -4.374   3.172  -1.139  1.00  0.00           H  
HETATM  329  O   HOH B  64      -1.462  -3.097 -11.162  1.00  0.00           O  
HETATM  330  H1  HOH B  64      -1.783  -2.862 -12.032  1.00  0.00           H  
HETATM  331  H2  HOH B  64      -0.831  -2.410 -10.945  1.00  0.00           H  
HETATM  332  O   HOH B  65       1.441   7.910   7.320  1.00  0.00           O  
HETATM  333  H1  HOH B  65       0.772   7.603   7.931  1.00  0.00           H  
HETATM  334  H2  HOH B  65       1.132   7.624   6.461  1.00  0.00           H  
HETATM  335  O   HOH B  66       2.354  -5.799  -4.170  1.00  0.00           O  
HETATM  336  H1  HOH B  66       2.932  -6.096  -4.873  1.00  0.00           H  
HETATM  337  H2  HOH B  66       2.666  -6.261  -3.392  1.00  0.00           H  
HETATM  338  O   HOH B  67      -8.482 -11.757  -4.033  1.00  0.00           O  
HETATM  339  H1  HOH B  67      -7.908 -12.519  -3.950  1.00  0.00           H  
HETATM  340  H2  HOH B  67      -7.893 -11.005  -3.975  1.00  0.00           H  
HETATM  341  O   HOH B  68      -8.287   2.260  -2.914  1.00  0.00           O  
HETATM  342  H1  HOH B  68      -8.963   2.088  -3.570  1.00  0.00           H  
HETATM  343  H2  HOH B  68      -8.774   2.515  -2.130  1.00  0.00           H  
HETATM  344  O   HOH B  69      -5.824   0.251   7.810  1.00  0.00           O  
HETATM  345  H1  HOH B  69      -5.481   1.070   7.450  1.00  0.00           H  
HETATM  346  H2  HOH B  69      -5.416  -0.433   7.279  1.00  0.00           H  
HETATM  347  O   HOH B  70      -7.198 -10.088   2.083  1.00  0.00           O  
HETATM  348  H1  HOH B  70      -7.446 -10.602   2.851  1.00  0.00           H  
HETATM  349  H2  HOH B  70      -6.442 -10.549   1.718  1.00  0.00           H  
HETATM  350  O   HOH B  71       7.949 -10.460   2.716  1.00  0.00           O  
HETATM  351  H1  HOH B  71       8.212 -11.011   3.454  1.00  0.00           H  
HETATM  352  H2  HOH B  71       7.898  -9.577   3.082  1.00  0.00           H  
HETATM  353  O   HOH B  72      -0.405   4.742  -5.899  1.00  0.00           O  
HETATM  354  H1  HOH B  72      -0.754   5.514  -5.454  1.00  0.00           H  
HETATM  355  H2  HOH B  72       0.441   5.026  -6.245  1.00  0.00           H  
HETATM  356  O   HOH B  73      -7.610   4.233 -10.748  1.00  0.00           O  
HETATM  357  H1  HOH B  73      -6.716   3.941 -10.566  1.00  0.00           H  
HETATM  358  H2  HOH B  73      -7.585   5.180 -10.610  1.00  0.00           H  
HETATM  359  O   HOH B  74      -5.210  -9.114  -1.016  1.00  0.00           O  
HETATM  360  H1  HOH B  74      -4.273  -9.231  -1.173  1.00  0.00           H  
HETATM  361  H2  HOH B  74      -5.603  -9.123  -1.889  1.00  0.00           H  
HETATM  362  O   HOH B  75       0.275   3.001   6.307  1.00  0.00           O  
HETATM  363  H1  HOH B  75       0.801   2.554   6.971  1.00  0.00           H  
HETATM  364  H2  HOH B  75       0.521   2.580   5.484  1.00  0.00           H  
HETATM  365  O   HOH B  76       2.709  -7.439 -11.450  1.00  0.00           O  
HETATM  366  H1  HOH B  76       2.792  -6.673 -10.882  1.00  0.00           H  
HETATM  367  H2  HOH B  76       3.595  -7.797 -11.501  1.00  0.00           H  
HETATM  368  O   HOH B  77      -6.967  -0.995  -8.864  1.00  0.00           O  
HETATM  369  H1  HOH B  77      -7.791  -0.537  -9.030  1.00  0.00           H  
HETATM  370  H2  HOH B  77      -6.291  -0.331  -8.999  1.00  0.00           H  
HETATM  371  O   HOH B  78       6.990   0.128   3.839  1.00  0.00           O  
HETATM  372  H1  HOH B  78       6.652   0.895   3.377  1.00  0.00           H  
HETATM  373  H2  HOH B  78       6.800   0.300   4.761  1.00  0.00           H  
HETATM  374  O   HOH B  79      -1.376  -1.052  -7.961  1.00  0.00           O  
HETATM  375  H1  HOH B  79      -1.095  -0.916  -7.056  1.00  0.00           H  
HETATM  376  H2  HOH B  79      -0.577  -1.307  -8.424  1.00  0.00           H  
HETATM  377  O   HOH B  80       3.322   7.069   3.555  1.00  0.00           O  
HETATM  378  H1  HOH B  80       3.676   6.213   3.314  1.00  0.00           H  
HETATM  379  H2  HOH B  80       3.671   7.668   2.895  1.00  0.00           H  
HETATM  380  O   HOH B  81      -5.542  -7.204  -5.808  1.00  0.00           O  
HETATM  381  H1  HOH B  81      -5.760  -7.850  -5.135  1.00  0.00           H  
HETATM  382  H2  HOH B  81      -4.620  -7.367  -6.007  1.00  0.00           H  
HETATM  383  O   HOH B  82       8.261   3.477  -8.370  1.00  0.00           O  
HETATM  384  H1  HOH B  82       8.216   4.277  -8.894  1.00  0.00           H  
HETATM  385  H2  HOH B  82       7.351   3.192  -8.289  1.00  0.00           H  
HETATM  386  O   HOH B  83       5.378  -0.734  -7.265  1.00  0.00           O  
HETATM  387  H1  HOH B  83       6.021  -0.222  -6.775  1.00  0.00           H  
HETATM  388  H2  HOH B  83       5.367  -1.586  -6.829  1.00  0.00           H  
HETATM  389  O   HOH B  84      -5.663   6.335  -1.532  1.00  0.00           O  
HETATM  390  H1  HOH B  84      -5.949   6.398  -0.620  1.00  0.00           H  
HETATM  391  H2  HOH B  84      -6.375   5.874  -1.975  1.00  0.00           H  
HETATM  392  O   HOH B  85      -5.244  10.344   2.234  1.00  0.00           O  
HETATM  393  H1  HOH B  85      -4.790  10.666   3.013  1.00  0.00           H  
HETATM  394  H2  HOH B  85      -5.196  11.070   1.612  1.00  0.00           H  
HETATM  395  O   HOH B  86      -4.902   0.840  -9.110  1.00  0.00           O  
HETATM  396  H1  HOH B  86      -4.523   1.314  -8.370  1.00  0.00           H  
HETATM  397  H2  HOH B  86      -4.150   0.601  -9.652  1.00  0.00           H  
HETATM  398  O   HOH B  87       4.391  -5.827  -5.912  1.00  0.00           O  
HETATM  399  H1  HOH B  87       5.332  -5.902  -5.753  1.00  0.00           H  
HETATM  400  H2  HOH B  87       4.219  -6.439  -6.629  1.00  0.00           H  
HETATM  401  O   HOH B  88       4.693  -1.203   7.408  1.00  0.00           O  
HETATM  402  H1  HOH B  88       4.102  -1.730   7.945  1.00  0.00           H  
HETATM  403  H2  HOH B  88       4.675  -0.336   7.811  1.00  0.00           H  
HETATM  404  O   HOH B  89       3.062  -5.419   6.201  1.00  0.00           O  
HETATM  405  H1  HOH B  89       3.885  -5.036   6.505  1.00  0.00           H  
HETATM  406  H2  HOH B  89       2.921  -6.171   6.777  1.00  0.00           H  
HETATM  407  O   HOH B  90      -5.577  -3.265  -8.137  1.00  0.00           O  
HETATM  408  H1  HOH B  90      -4.652  -3.244  -8.385  1.00  0.00           H  
HETATM  409  H2  HOH B  90      -5.935  -2.444  -8.473  1.00  0.00           H  
HETATM  410  O   HOH B  91      -5.824  -3.660   7.544  1.00  0.00           O  
HETATM  411  H1  HOH B  91      -5.505  -3.369   8.398  1.00  0.00           H  
HETATM  412  H2  HOH B  91      -5.040  -3.704   6.997  1.00  0.00           H  
HETATM  413  O   HOH B  92      -6.975  -4.962  -6.611  1.00  0.00           O  
HETATM  414  H1  HOH B  92      -6.357  -4.412  -7.092  1.00  0.00           H  
HETATM  415  H2  HOH B  92      -6.445  -5.687  -6.281  1.00  0.00           H  
HETATM  416  O   HOH B  93       7.139   7.204  10.468  1.00  0.00           O  
HETATM  417  H1  HOH B  93       6.533   7.942  10.403  1.00  0.00           H  
HETATM  418  H2  HOH B  93       7.068   6.759   9.623  1.00  0.00           H  
HETATM  419  O   HOH B  94       6.624   0.600   6.498  1.00  0.00           O  
HETATM  420  H1  HOH B  94       6.152  -0.227   6.594  1.00  0.00           H  
HETATM  421  H2  HOH B  94       6.223   1.181   7.145  1.00  0.00           H  
HETATM  422  O   HOH B  95       4.904   1.364   8.545  1.00  0.00           O  
HETATM  423  H1  HOH B  95       5.244   2.081   9.080  1.00  0.00           H  
HETATM  424  H2  HOH B  95       3.953   1.432   8.629  1.00  0.00           H  
HETATM  425  O   HOH B  96       3.420  -7.526  -7.910  1.00  0.00           O  
HETATM  426  H1  HOH B  96       3.917  -8.105  -8.488  1.00  0.00           H  
HETATM  427  H2  HOH B  96       3.178  -6.784  -8.464  1.00  0.00           H  
HETATM  428  O   HOH B  97      -0.708  -0.378   9.161  1.00  0.00           O  
HETATM  429  H1  HOH B  97       0.096   0.140   9.139  1.00  0.00           H  
HETATM  430  H2  HOH B  97      -1.326   0.158   9.660  1.00  0.00           H  
HETATM  431  O   HOH B  98       6.489  -6.451   7.120  1.00  0.00           O  
HETATM  432  H1  HOH B  98       6.639  -6.393   8.064  1.00  0.00           H  
HETATM  433  H2  HOH B  98       6.275  -5.557   6.856  1.00  0.00           H  
HETATM  434  O   HOH B  99      -0.740   4.764   4.409  1.00  0.00           O  
HETATM  435  H1  HOH B  99      -0.392   4.297   3.650  1.00  0.00           H  
HETATM  436  H2  HOH B  99      -0.453   4.247   5.162  1.00  0.00           H  
HETATM  437  O   HOH B 100       7.196  -2.470   2.989  1.00  0.00           O  
HETATM  438  H1  HOH B 100       7.019  -1.555   3.207  1.00  0.00           H  
HETATM  439  H2  HOH B 100       6.804  -2.590   2.124  1.00  0.00           H  
HETATM  440  O   HOH B 101      -6.665   9.518 -10.509  1.00  0.00           O  
HETATM  441  H1  HOH B 101      -6.402   9.647  -9.597  1.00  0.00           H  
HETATM  442  H2  HOH B 101      -7.504   9.974 -10.583  1.00  0.00           H  
HETATM  443  O   HOH B 102     -10.343   5.429 -10.217  1.00  0.00           O  
HETATM  444  H1  HOH B 102     -10.271   6.293 -10.623  1.00  0.00           H  
HETATM  445  H2  HOH B 102      -9.752   4.874 -10.727  1.00  0.00           H  
HETATM  446  O   HOH B 103      -5.546  -6.196  11.064  1.00  0.00           O  
HETATM  447  H1  HOH B 103      -5.414  -7.118  10.840  1.00  0.00           H  
HETATM  448  H2  HOH B 103      -5.713  -6.200  12.007  1.00  0.00           H  
HETATM  449  O   HOH B 104      -9.558   0.010  -9.123  1.00  0.00           O  
HETATM  450  H1  HOH B 104     -10.434   0.000  -8.736  1.00  0.00           H  
HETATM  451  H2  HOH B 104      -9.298   0.931  -9.105  1.00  0.00           H  
HETATM  452  O   HOH B 105       7.461  -7.964   3.774  1.00  0.00           O  
HETATM  453  H1  HOH B 105       7.879  -7.120   3.600  1.00  0.00           H  
HETATM  454  H2  HOH B 105       6.545  -7.832   3.530  1.00  0.00           H  
HETATM  455  O   HOH B 106      -2.171  -2.792  10.167  1.00  0.00           O  
HETATM  456  H1  HOH B 106      -1.742  -3.556   9.782  1.00  0.00           H  
HETATM  457  H2  HOH B 106      -1.757  -2.043   9.739  1.00  0.00           H  
HETATM  458  O   HOH B 107      -9.865  -4.849   1.616  1.00  0.00           O  
HETATM  459  H1  HOH B 107      -9.935  -3.972   1.992  1.00  0.00           H  
HETATM  460  H2  HOH B 107     -10.170  -4.748   0.714  1.00  0.00           H  
HETATM  461  O   HOH B 108      -2.856  -9.508  -8.520  1.00  0.00           O  
HETATM  462  H1  HOH B 108      -3.555  -9.959  -8.994  1.00  0.00           H  
HETATM  463  H2  HOH B 108      -2.414  -8.983  -9.187  1.00  0.00           H  
HETATM  464  O   HOH B 109      -0.928  -8.979   9.784  1.00  0.00           O  
HETATM  465  H1  HOH B 109      -0.443  -8.235  10.143  1.00  0.00           H  
HETATM  466  H2  HOH B 109      -0.272  -9.670   9.691  1.00  0.00           H  
HETATM  467  O   HOH B 110      -7.999  -9.346  10.292  1.00  0.00           O  
HETATM  468  H1  HOH B 110      -7.058  -9.181  10.357  1.00  0.00           H  
HETATM  469  H2  HOH B 110      -8.403  -8.628  10.780  1.00  0.00           H  
HETATM  470  O   HOH B 111      -4.291   3.287  -4.626  1.00  0.00           O  
HETATM  471  H1  HOH B 111      -4.948   2.592  -4.626  1.00  0.00           H  
HETATM  472  H2  HOH B 111      -4.186   3.519  -3.703  1.00  0.00           H  
HETATM  473  O   HOH B 112      -0.095  -0.330   5.159  1.00  0.00           O  
HETATM  474  H1  HOH B 112       0.624  -0.684   5.683  1.00  0.00           H  
HETATM  475  H2  HOH B 112       0.297   0.396   4.673  1.00  0.00           H  
HETATM  476  O   HOH B 113      -4.986  -3.533  10.177  1.00  0.00           O  
HETATM  477  H1  HOH B 113      -4.989  -4.403  10.576  1.00  0.00           H  
HETATM  478  H2  HOH B 113      -4.086  -3.224  10.282  1.00  0.00           H  
HETATM  479  O   HOH B 114       1.025   1.147  -8.056  1.00  0.00           O  
HETATM  480  H1  HOH B 114       1.583   1.835  -8.419  1.00  0.00           H  
HETATM  481  H2  HOH B 114       0.305   1.068  -8.681  1.00  0.00           H  
HETATM  482  O   HOH B 115      -4.268  -1.205   5.953  1.00  0.00           O  
HETATM  483  H1  HOH B 115      -3.525  -0.647   6.181  1.00  0.00           H  
HETATM  484  H2  HOH B 115      -3.945  -2.098   6.072  1.00  0.00           H  
HETATM  485  O   HOH B 116      -4.695   1.855  11.630  1.00  0.00           O  
HETATM  486  H1  HOH B 116      -4.436   2.569  11.047  1.00  0.00           H  
HETATM  487  H2  HOH B 116      -3.910   1.313  11.708  1.00  0.00           H  
HETATM  488  O   HOH B 117       7.289  -2.891  -9.164  1.00  0.00           O  
HETATM  489  H1  HOH B 117       7.787  -2.943  -8.348  1.00  0.00           H  
HETATM  490  H2  HOH B 117       7.321  -1.965  -9.406  1.00  0.00           H  
HETATM  491  O   HOH B 118      -6.969   5.307  -5.534  1.00  0.00           O  
HETATM  492  H1  HOH B 118      -6.100   5.707  -5.554  1.00  0.00           H  
HETATM  493  H2  HOH B 118      -6.882   4.517  -6.067  1.00  0.00           H  
HETATM  494  O   HOH B 119      -5.552  -6.711   4.948  1.00  0.00           O  
HETATM  495  H1  HOH B 119      -5.409  -5.775   4.810  1.00  0.00           H  
HETATM  496  H2  HOH B 119      -4.673  -7.075   5.058  1.00  0.00           H  
HETATM  497  O   HOH B 120       2.544   3.931  -4.415  1.00  0.00           O  
HETATM  498  H1  HOH B 120       2.008   3.160  -4.599  1.00  0.00           H  
HETATM  499  H2  HOH B 120       2.788   3.839  -3.494  1.00  0.00           H  
HETATM  500  O   HOH B 121       4.080 -10.165   1.896  1.00  0.00           O  
HETATM  501  H1  HOH B 121       4.853 -10.364   1.367  1.00  0.00           H  
HETATM  502  H2  HOH B 121       4.332  -9.397   2.409  1.00  0.00           H  
HETATM  503  O   HOH B 122      -7.734  -0.061   9.781  1.00  0.00           O  
HETATM  504  H1  HOH B 122      -7.600   0.672  10.382  1.00  0.00           H  
HETATM  505  H2  HOH B 122      -7.061   0.054   9.110  1.00  0.00           H  
HETATM  506  O   HOH B 123       3.894  11.747  -1.937  1.00  0.00           O  
HETATM  507  H1  HOH B 123       4.724  11.327  -2.160  1.00  0.00           H  
HETATM  508  H2  HOH B 123       3.978  12.639  -2.275  1.00  0.00           H  
HETATM  509  O   HOH B 124       7.179   4.872  11.912  1.00  0.00           O  
HETATM  510  H1  HOH B 124       7.450   5.080  12.806  1.00  0.00           H  
HETATM  511  H2  HOH B 124       7.214   5.709  11.449  1.00  0.00           H  
HETATM  512  O   HOH B 125      -2.437   3.858 -10.596  1.00  0.00           O  
HETATM  513  H1  HOH B 125      -1.689   3.276 -10.734  1.00  0.00           H  
HETATM  514  H2  HOH B 125      -2.309   4.207  -9.714  1.00  0.00           H  
HETATM  515  O   HOH B 126      -9.389  -2.095   7.783  1.00  0.00           O  
HETATM  516  H1  HOH B 126      -9.908  -1.339   8.058  1.00  0.00           H  
HETATM  517  H2  HOH B 126      -8.869  -2.323   8.554  1.00  0.00           H  
HETATM  518  O   HOH B 127       1.810   8.202  -9.416  1.00  0.00           O  
HETATM  519  H1  HOH B 127       0.900   8.146  -9.709  1.00  0.00           H  
HETATM  520  H2  HOH B 127       2.258   7.498  -9.885  1.00  0.00           H  
HETATM  521  O   HOH B 128       3.175   4.362   9.161  1.00  0.00           O  
HETATM  522  H1  HOH B 128       4.044   4.080   9.447  1.00  0.00           H  
HETATM  523  H2  HOH B 128       2.740   3.555   8.885  1.00  0.00           H  
HETATM  524  O   HOH B 129       1.063  -9.309 -10.267  1.00  0.00           O  
HETATM  525  H1  HOH B 129       1.725  -9.923  -9.949  1.00  0.00           H  
HETATM  526  H2  HOH B 129       1.559  -8.659 -10.765  1.00  0.00           H  
HETATM  527  O   HOH B 130     -10.686  -6.615   7.868  1.00  0.00           O  
HETATM  528  H1  HOH B 130     -11.607  -6.423   8.044  1.00  0.00           H  
HETATM  529  H2  HOH B 130     -10.204  -6.032   8.455  1.00  0.00           H  
HETATM  530  O   HOH B 131       0.864   7.024   4.781  1.00  0.00           O  
HETATM  531  H1  HOH B 131       0.427   6.179   4.673  1.00  0.00           H  
HETATM  532  H2  HOH B 131       1.733   6.895   4.401  1.00  0.00           H  
HETATM  533  O   HOH B 132     -11.705  -6.858  -0.803  1.00  0.00           O  
HETATM  534  H1  HOH B 132     -11.377  -6.844  -1.702  1.00  0.00           H  
HETATM  535  H2  HOH B 132     -12.303  -6.112  -0.754  1.00  0.00           H  
HETATM  536  O   HOH B 133      -2.010   8.183   7.532  1.00  0.00           O  
HETATM  537  H1  HOH B 133      -1.376   7.764   8.114  1.00  0.00           H  
HETATM  538  H2  HOH B 133      -2.778   7.612   7.562  1.00  0.00           H  
HETATM  539  O   HOH B 134      -9.701   6.047  -1.331  1.00  0.00           O  
HETATM  540  H1  HOH B 134      -9.329   6.860  -0.990  1.00  0.00           H  
HETATM  541  H2  HOH B 134      -9.019   5.690  -1.899  1.00  0.00           H  
HETATM  542  O   HOH B 135       0.623   2.152  -5.514  1.00  0.00           O  
HETATM  543  H1  HOH B 135       0.821   1.857  -6.403  1.00  0.00           H  
HETATM  544  H2  HOH B 135       0.141   2.970  -5.634  1.00  0.00           H  
HETATM  545  O   HOH B 136      -9.927  -7.731   1.054  1.00  0.00           O  
HETATM  546  H1  HOH B 136     -10.645  -7.567   0.443  1.00  0.00           H  
HETATM  547  H2  HOH B 136      -9.840  -6.914   1.546  1.00  0.00           H  
HETATM  548  O   HOH B 137      -0.307   6.795   9.237  1.00  0.00           O  
HETATM  549  H1  HOH B 137      -0.490   5.920   8.894  1.00  0.00           H  
HETATM  550  H2  HOH B 137       0.361   6.654   9.908  1.00  0.00           H  
HETATM  551  O   HOH B 138       0.610  -4.462  -8.609  1.00  0.00           O  
HETATM  552  H1  HOH B 138       0.083  -4.943  -9.247  1.00  0.00           H  
HETATM  553  H2  HOH B 138       0.326  -4.801  -7.759  1.00  0.00           H  
HETATM  554  O   HOH B 139      -1.830   6.956  -4.906  1.00  0.00           O  
HETATM  555  H1  HOH B 139      -2.620   6.573  -5.288  1.00  0.00           H  
HETATM  556  H2  HOH B 139      -2.154   7.645  -4.326  1.00  0.00           H  
HETATM  557  O   HOH B 140       0.257  -5.386  -6.059  1.00  0.00           O  
HETATM  558  H1  HOH B 140       0.907  -5.280  -5.364  1.00  0.00           H  
HETATM  559  H2  HOH B 140      -0.271  -6.134  -5.781  1.00  0.00           H  
HETATM  560  O   HOH B 141     -11.715   8.495  -7.381  1.00  0.00           O  
HETATM  561  H1  HOH B 141     -10.812   8.669  -7.646  1.00  0.00           H  
HETATM  562  H2  HOH B 141     -11.855   7.573  -7.597  1.00  0.00           H  
HETATM  563  O   HOH B 142       5.053   8.938   9.711  1.00  0.00           O  
HETATM  564  H1  HOH B 142       4.385   9.537  10.045  1.00  0.00           H  
HETATM  565  H2  HOH B 142       4.557   8.226   9.307  1.00  0.00           H  
HETATM  566  O   HOH B 143      -6.033   9.274   5.485  1.00  0.00           O  
HETATM  567  H1  HOH B 143      -5.294   9.794   5.168  1.00  0.00           H  
HETATM  568  H2  HOH B 143      -5.709   8.373   5.485  1.00  0.00           H  
HETATM  569  O   HOH B 144      -6.683   9.963  -5.065  1.00  0.00           O  
HETATM  570  H1  HOH B 144      -6.083   9.585  -4.422  1.00  0.00           H  
HETATM  571  H2  HOH B 144      -7.541   9.611  -4.830  1.00  0.00           H  
HETATM  572  O   HOH B 145      -9.308   6.465  -6.342  1.00  0.00           O  
HETATM  573  H1  HOH B 145      -9.737   6.601  -5.497  1.00  0.00           H  
HETATM  574  H2  HOH B 145      -8.477   6.044  -6.125  1.00  0.00           H  
HETATM  575  O   HOH B 146      -5.353   5.757  -8.395  1.00  0.00           O  
HETATM  576  H1  HOH B 146      -6.111   6.178  -8.800  1.00  0.00           H  
HETATM  577  H2  HOH B 146      -5.239   4.943  -8.886  1.00  0.00           H  
HETATM  578  O   HOH B 147       3.837   6.895   8.273  1.00  0.00           O  
HETATM  579  H1  HOH B 147       3.593   6.014   8.557  1.00  0.00           H  
HETATM  580  H2  HOH B 147       3.045   7.243   7.864  1.00  0.00           H  
HETATM  581  O   HOH B 148      -3.542  10.001  -8.066  1.00  0.00           O  
HETATM  582  H1  HOH B 148      -3.043  10.475  -8.731  1.00  0.00           H  
HETATM  583  H2  HOH B 148      -3.129  10.244  -7.237  1.00  0.00           H  
HETATM  584  O   HOH B 149      -1.900   9.236   4.971  1.00  0.00           O  
HETATM  585  H1  HOH B 149      -1.797   8.945   5.877  1.00  0.00           H  
HETATM  586  H2  HOH B 149      -1.955   8.425   4.464  1.00  0.00           H  
HETATM  587  O   HOH B 150      -8.482   8.174  -0.048  1.00  0.00           O  
HETATM  588  H1  HOH B 150      -9.036   8.404   0.698  1.00  0.00           H  
HETATM  589  H2  HOH B 150      -7.745   7.701   0.337  1.00  0.00           H  
HETATM  590  O   HOH B 151      -8.680   2.626  -8.719  1.00  0.00           O  
HETATM  591  H1  HOH B 151      -8.427   3.173  -9.462  1.00  0.00           H  
HETATM  592  H2  HOH B 151      -7.956   2.713  -8.099  1.00  0.00           H  
HETATM  593  O   HOH B 152      -7.679   5.010  -2.888  1.00  0.00           O  
HETATM  594  H1  HOH B 152      -7.471   5.206  -3.801  1.00  0.00           H  
HETATM  595  H2  HOH B 152      -7.733   4.055  -2.854  1.00  0.00           H  
HETATM  596  O   HOH B 153     -11.486   5.578  -7.772  1.00  0.00           O  
HETATM  597  H1  HOH B 153     -10.700   5.848  -7.297  1.00  0.00           H  
HETATM  598  H2  HOH B 153     -11.201   5.498  -8.682  1.00  0.00           H  
HETATM  599  O   HOH B 154      -0.273  -8.811  -2.506  1.00  0.00           O  
HETATM  600  H1  HOH B 154       0.370  -9.444  -2.826  1.00  0.00           H  
HETATM  601  H2  HOH B 154       0.091  -8.497  -1.679  1.00  0.00           H  
HETATM  602  O   HOH B 155      -0.905   8.295  -9.907  1.00  0.00           O  
HETATM  603  H1  HOH B 155      -1.565   7.869  -9.359  1.00  0.00           H  
HETATM  604  H2  HOH B 155      -1.221   8.173 -10.802  1.00  0.00           H  
HETATM  605  O   HOH B 156     -10.943   2.866  -7.169  1.00  0.00           O  
HETATM  606  H1  HOH B 156     -11.283   3.749  -7.315  1.00  0.00           H  
HETATM  607  H2  HOH B 156     -10.171   2.810  -7.731  1.00  0.00           H  
HETATM  608  O   HOH B 157      -4.062   2.260   6.713  1.00  0.00           O  
HETATM  609  H1  HOH B 157      -3.982   2.722   7.547  1.00  0.00           H  
HETATM  610  H2  HOH B 157      -3.366   1.603   6.735  1.00  0.00           H  
HETATM  611  O   HOH B 158      -7.791  10.144  -1.843  1.00  0.00           O  
HETATM  612  H1  HOH B 158      -8.044   9.548  -1.138  1.00  0.00           H  
HETATM  613  H2  HOH B 158      -8.365   9.910  -2.572  1.00  0.00           H  
HETATM  614  O   HOH B 159      -7.761   9.833   3.364  1.00  0.00           O  
HETATM  615  H1  HOH B 159      -7.056   9.959   2.729  1.00  0.00           H  
HETATM  616  H2  HOH B 159      -7.330   9.454   4.129  1.00  0.00           H  
HETATM  617  O   HOH B 160       4.926  -8.853  -9.909  1.00  0.00           O  
HETATM  618  H1  HOH B 160       5.433  -9.016 -10.705  1.00  0.00           H  
HETATM  619  H2  HOH B 160       4.379  -9.632  -9.809  1.00  0.00           H  
HETATM  620  O   HOH B 161     -11.426   3.929   3.116  1.00  0.00           O  
HETATM  621  H1  HOH B 161     -12.371   3.871   3.259  1.00  0.00           H  
HETATM  622  H2  HOH B 161     -11.320   4.657   2.504  1.00  0.00           H  
HETATM  623  O   HOH B 162      -1.142  -8.063   2.413  1.00  0.00           O  
HETATM  624  H1  HOH B 162      -0.777  -8.158   3.293  1.00  0.00           H  
HETATM  625  H2  HOH B 162      -0.977  -7.148   2.183  1.00  0.00           H  
HETATM  626  O   HOH B 163      -8.245   6.175   5.286  1.00  0.00           O  
HETATM  627  H1  HOH B 163      -8.671   6.561   6.051  1.00  0.00           H  
HETATM  628  H2  HOH B 163      -7.308   6.261   5.463  1.00  0.00           H  
HETATM  629  O   HOH B 164      -9.172   9.221  -4.095  1.00  0.00           O  
HETATM  630  H1  HOH B 164      -9.563   8.351  -4.012  1.00  0.00           H  
HETATM  631  H2  HOH B 164      -9.863   9.758  -4.483  1.00  0.00           H  
HETATM  632  O   HOH B 165       3.154  10.031   7.105  1.00  0.00           O  
HETATM  633  H1  HOH B 165       3.745   9.637   6.463  1.00  0.00           H  
HETATM  634  H2  HOH B 165       2.446   9.394   7.202  1.00  0.00           H  
HETATM  635  O   HOH B 166      -5.431   8.850  -2.782  1.00  0.00           O  
HETATM  636  H1  HOH B 166      -6.112   9.320  -2.301  1.00  0.00           H  
HETATM  637  H2  HOH B 166      -5.432   7.971  -2.403  1.00  0.00           H  
HETATM  638  O   HOH B 167      -2.175   4.694  -7.998  1.00  0.00           O  
HETATM  639  H1  HOH B 167      -2.347   5.629  -8.108  1.00  0.00           H  
HETATM  640  H2  HOH B 167      -1.519   4.651  -7.302  1.00  0.00           H  
HETATM  641  O   HOH B 168      -0.161  -9.789  -7.808  1.00  0.00           O  
HETATM  642  H1  HOH B 168      -1.100  -9.951  -7.900  1.00  0.00           H  
HETATM  643  H2  HOH B 168       0.155  -9.691  -8.706  1.00  0.00           H  
HETATM  644  O   HOH B 169      -9.095 -10.646  -7.684  1.00  0.00           O  
HETATM  645  H1  HOH B 169      -8.255 -10.929  -7.324  1.00  0.00           H  
HETATM  646  H2  HOH B 169      -9.733 -10.867  -7.006  1.00  0.00           H  
HETATM  647  O   HOH B 170      -2.738   9.069  -3.432  1.00  0.00           O  
HETATM  648  H1  HOH B 170      -3.685   9.024  -3.295  1.00  0.00           H  
HETATM  649  H2  HOH B 170      -2.414   9.584  -2.693  1.00  0.00           H  
HETATM  650  O   HOH B 171      -4.663   7.660   2.784  1.00  0.00           O  
HETATM  651  H1  HOH B 171      -3.722   7.488   2.827  1.00  0.00           H  
HETATM  652  H2  HOH B 171      -4.728   8.567   2.486  1.00  0.00           H  
HETATM  653  O   HOH B 172       1.316 -10.097   1.714  1.00  0.00           O  
HETATM  654  H1  HOH B 172       2.247 -10.298   1.809  1.00  0.00           H  
HETATM  655  H2  HOH B 172       0.937 -10.309   2.568  1.00  0.00           H  
HETATM  656  O   HOH B 173       2.125   9.747   0.994  1.00  0.00           O  
HETATM  657  H1  HOH B 173       1.460   9.571   1.661  1.00  0.00           H  
HETATM  658  H2  HOH B 173       2.949   9.483   1.402  1.00  0.00           H  
HETATM  659  O   HOH B 174      -6.299 -12.041   6.853  1.00  0.00           O  
HETATM  660  H1  HOH B 174      -6.160 -12.978   6.713  1.00  0.00           H  
HETATM  661  H2  HOH B 174      -6.757 -11.990   7.692  1.00  0.00           H  
HETATM  662  O   HOH B 175       4.699   1.031 -10.368  1.00  0.00           O  
HETATM  663  H1  HOH B 175       4.207   1.835 -10.535  1.00  0.00           H  
HETATM  664  H2  HOH B 175       4.040   0.404 -10.072  1.00  0.00           H  
HETATM  665  O   HOH B 176      -2.152   1.596  10.344  1.00  0.00           O  
HETATM  666  H1  HOH B 176      -1.410   2.115  10.654  1.00  0.00           H  
HETATM  667  H2  HOH B 176      -2.749   2.237   9.958  1.00  0.00           H  
HETATM  668  O   HOH B 177       7.644   2.423  -4.449  1.00  0.00           O  
HETATM  669  H1  HOH B 177       7.773   3.352  -4.640  1.00  0.00           H  
HETATM  670  H2  HOH B 177       7.467   2.393  -3.509  1.00  0.00           H  
HETATM  671  O   HOH B 178      -5.379   6.565   5.198  1.00  0.00           O  
HETATM  672  H1  HOH B 178      -5.255   6.878   4.303  1.00  0.00           H  
HETATM  673  H2  HOH B 178      -4.819   5.791   5.262  1.00  0.00           H  
HETATM  674  O   HOH B 179      -5.655  -7.024 -10.069  1.00  0.00           O  
HETATM  675  H1  HOH B 179      -4.981  -6.545  -9.586  1.00  0.00           H  
HETATM  676  H2  HOH B 179      -5.913  -7.734  -9.480  1.00  0.00           H  
HETATM  677  O   HOH B 180       7.364   2.400  -1.724  1.00  0.00           O  
HETATM  678  H1  HOH B 180       6.515   2.303  -1.292  1.00  0.00           H  
HETATM  679  H2  HOH B 180       7.873   2.952  -1.130  1.00  0.00           H  
HETATM  680  O   HOH B 181     -10.655   5.953   1.391  1.00  0.00           O  
HETATM  681  H1  HOH B 181     -10.636   6.868   1.669  1.00  0.00           H  
HETATM  682  H2  HOH B 181     -10.604   5.991   0.435  1.00  0.00           H  
HETATM  683  O   HOH B 182       0.302   9.099   3.035  1.00  0.00           O  
HETATM  684  H1  HOH B 182      -0.342   9.610   3.524  1.00  0.00           H  
HETATM  685  H2  HOH B 182       0.632   8.461   3.668  1.00  0.00           H  
HETATM  686  O   HOH B 183       0.160   9.035  -4.783  1.00  0.00           O  
HETATM  687  H1  HOH B 183       0.718   8.845  -5.538  1.00  0.00           H  
HETATM  688  H2  HOH B 183      -0.459   8.305  -4.752  1.00  0.00           H  
HETATM  689  O   HOH B 184      -8.035  -6.237  -8.789  1.00  0.00           O  
HETATM  690  H1  HOH B 184      -7.276  -6.337  -9.364  1.00  0.00           H  
HETATM  691  H2  HOH B 184      -7.718  -5.698  -8.065  1.00  0.00           H  
HETATM  692  O   HOH B 185       5.373  11.348  -7.528  1.00  0.00           O  
HETATM  693  H1  HOH B 185       4.815  11.944  -7.028  1.00  0.00           H  
HETATM  694  H2  HOH B 185       6.116  11.887  -7.800  1.00  0.00           H  
HETATM  695  O   HOH B 186     -11.820  -8.699  -5.105  1.00  0.00           O  
HETATM  696  H1  HOH B 186     -11.377  -9.538  -5.231  1.00  0.00           H  
HETATM  697  H2  HOH B 186     -12.704  -8.934  -4.822  1.00  0.00           H  
HETATM  698  O   HOH B 187       3.153  11.256   9.606  1.00  0.00           O  
HETATM  699  H1  HOH B 187       2.943  10.771   8.808  1.00  0.00           H  
HETATM  700  H2  HOH B 187       3.939  11.755   9.385  1.00  0.00           H  
HETATM  701  O   HOH B 188      -6.975   3.184   8.681  1.00  0.00           O  
HETATM  702  H1  HOH B 188      -7.111   2.724   9.510  1.00  0.00           H  
HETATM  703  H2  HOH B 188      -6.039   3.384   8.669  1.00  0.00           H  
HETATM  704  O   HOH B 189       0.125   3.132  10.704  1.00  0.00           O  
HETATM  705  H1  HOH B 189       0.774   2.566  10.286  1.00  0.00           H  
HETATM  706  H2  HOH B 189      -0.255   3.635   9.984  1.00  0.00           H  
HETATM  707  O   HOH B 190       1.500   5.574  10.940  1.00  0.00           O  
HETATM  708  H1  HOH B 190       1.027   4.789  11.216  1.00  0.00           H  
HETATM  709  H2  HOH B 190       2.168   5.251  10.334  1.00  0.00           H  
HETATM  710  O   HOH B 191      -7.370   6.892 -10.040  1.00  0.00           O  
HETATM  711  H1  HOH B 191      -8.290   7.134 -10.153  1.00  0.00           H  
HETATM  712  H2  HOH B 191      -6.882   7.670 -10.310  1.00  0.00           H  
HETATM  713  O   HOH B 192      -1.951   7.067   3.221  1.00  0.00           O  
HETATM  714  H1  HOH B 192      -1.679   6.235   3.610  1.00  0.00           H  
HETATM  715  H2  HOH B 192      -1.176   7.376   2.752  1.00  0.00           H  
HETATM  716  O   HOH B 193      -3.323  -8.604   8.504  1.00  0.00           O  
HETATM  717  H1  HOH B 193      -3.176  -7.713   8.187  1.00  0.00           H  
HETATM  718  H2  HOH B 193      -2.499  -8.849   8.923  1.00  0.00           H  
HETATM  719  O   HOH B 194      -6.233   9.601  -7.747  1.00  0.00           O  
HETATM  720  H1  HOH B 194      -5.294   9.725  -7.885  1.00  0.00           H  
HETATM  721  H2  HOH B 194      -6.353   9.707  -6.803  1.00  0.00           H  
HETATM  722  O   HOH B 195      -9.264  10.478  -9.943  1.00  0.00           O  
HETATM  723  H1  HOH B 195      -9.252   9.955  -9.142  1.00  0.00           H  
HETATM  724  H2  HOH B 195      -9.478  11.364  -9.649  1.00  0.00           H  
HETATM  725  O   HOH B 196      -8.919   7.819  10.226  1.00  0.00           O  
HETATM  726  H1  HOH B 196      -8.728   6.883  10.161  1.00  0.00           H  
HETATM  727  H2  HOH B 196      -8.062   8.243  10.183  1.00  0.00           H  
HETATM  728  O   HOH B 197       1.290 -10.613   9.419  1.00  0.00           O  
HETATM  729  H1  HOH B 197       1.847 -11.353   9.660  1.00  0.00           H  
HETATM  730  H2  HOH B 197       1.903  -9.898   9.248  1.00  0.00           H  
HETATM  731  O   HOH B 198      -4.385   6.769   7.858  1.00  0.00           O  
HETATM  732  H1  HOH B 198      -4.786   6.655   6.996  1.00  0.00           H  
HETATM  733  H2  HOH B 198      -4.253   5.878   8.181  1.00  0.00           H  
HETATM  734  O   HOH B 199       6.459   5.856   8.146  1.00  0.00           O  
HETATM  735  H1  HOH B 199       6.898   5.773   7.300  1.00  0.00           H  
HETATM  736  H2  HOH B 199       5.634   6.298   7.946  1.00  0.00           H  
HETATM  737  O   HOH B 200       0.807  -9.819   6.712  1.00  0.00           O  
HETATM  738  H1  HOH B 200       0.653 -10.450   7.415  1.00  0.00           H  
HETATM  739  H2  HOH B 200       1.427  -9.191   7.083  1.00  0.00           H  
HETATM  740  O   HOH B 201      -3.443   9.753   9.312  1.00  0.00           O  
HETATM  741  H1  HOH B 201      -2.834   9.437   8.645  1.00  0.00           H  
HETATM  742  H2  HOH B 201      -3.148  10.643   9.505  1.00  0.00           H  
HETATM  743  O   HOH B 202       4.396  -3.131  -9.147  1.00  0.00           O  
HETATM  744  H1  HOH B 202       5.350  -3.080  -9.208  1.00  0.00           H  
HETATM  745  H2  HOH B 202       4.097  -2.236  -9.306  1.00  0.00           H  
HETATM  746  O   HOH B 203       1.669   7.685  -6.699  1.00  0.00           O  
HETATM  747  H1  HOH B 203       1.707   8.128  -7.547  1.00  0.00           H  
HETATM  748  H2  HOH B 203       1.878   6.772  -6.895  1.00  0.00           H  
HETATM  749  O   HOH B 204      -3.955  -8.917 -11.276  1.00  0.00           O  
HETATM  750  H1  HOH B 204      -3.036  -8.670 -11.171  1.00  0.00           H  
HETATM  751  H2  HOH B 204      -4.444  -8.193 -10.885  1.00  0.00           H  
HETATM  752  O   HOH B 205      -7.629 -11.951   9.309  1.00  0.00           O  
HETATM  753  H1  HOH B 205      -7.720 -11.098   9.733  1.00  0.00           H  
HETATM  754  H2  HOH B 205      -8.528 -12.252   9.180  1.00  0.00           H  
HETATM  755  O   HOH B 206       5.733  -5.206   2.308  1.00  0.00           O  
HETATM  756  H1  HOH B 206       5.768  -4.440   1.735  1.00  0.00           H  
HETATM  757  H2  HOH B 206       4.855  -5.181   2.688  1.00  0.00           H  
HETATM  758  O   HOH B 207      10.482  -3.139   1.984  1.00  0.00           O  
HETATM  759  H1  HOH B 207      10.465  -2.226   1.696  1.00  0.00           H  
HETATM  760  H2  HOH B 207      10.669  -3.638   1.189  1.00  0.00           H  
HETATM  761  O   HOH B 208      10.945  -4.299  -0.635  1.00  0.00           O  
HETATM  762  H1  HOH B 208      10.444  -3.974  -1.383  1.00  0.00           H  
HETATM  763  H2  HOH B 208      11.846  -4.028  -0.813  1.00  0.00           H  
HETATM  764  O   HOH B 209      -8.837  -6.244   5.814  1.00  0.00           O  
HETATM  765  H1  HOH B 209      -8.632  -5.310   5.864  1.00  0.00           H  
HETATM  766  H2  HOH B 209      -9.594  -6.355   6.390  1.00  0.00           H  
HETATM  767  O   HOH B 210       7.012  -0.173  -9.452  1.00  0.00           O  
HETATM  768  H1  HOH B 210       6.468   0.257 -10.112  1.00  0.00           H  
HETATM  769  H2  HOH B 210       6.430  -0.286  -8.700  1.00  0.00           H  
HETATM  770  O   HOH B 211       6.061  -7.294   0.554  1.00  0.00           O  
HETATM  771  H1  HOH B 211       6.367  -6.796  -0.204  1.00  0.00           H  
HETATM  772  H2  HOH B 211       6.053  -6.660   1.271  1.00  0.00           H  
HETATM  773  O   HOH B 212       2.973  -5.428  -9.628  1.00  0.00           O  
HETATM  774  H1  HOH B 212       2.135  -5.052  -9.358  1.00  0.00           H  
HETATM  775  H2  HOH B 212       3.585  -4.691  -9.607  1.00  0.00           H  
HETATM  776  O   HOH B 213     -10.006   8.543   2.200  1.00  0.00           O  
HETATM  777  H1  HOH B 213     -10.853   8.661   2.630  1.00  0.00           H  
HETATM  778  H2  HOH B 213      -9.393   9.046   2.736  1.00  0.00           H  
HETATM  779  O   HOH B 214       1.326  -1.268   7.383  1.00  0.00           O  
HETATM  780  H1  HOH B 214       0.524  -1.174   7.897  1.00  0.00           H  
HETATM  781  H2  HOH B 214       1.829  -0.477   7.577  1.00  0.00           H  
HETATM  782  O   HOH B 215       6.249  10.467  -2.549  1.00  0.00           O  
HETATM  783  H1  HOH B 215       7.018  11.024  -2.424  1.00  0.00           H  
HETATM  784  H2  HOH B 215       6.484   9.893  -3.278  1.00  0.00           H  
HETATM  785  O   HOH B 216       2.693  -3.386  -6.945  1.00  0.00           O  
HETATM  786  H1  HOH B 216       3.328  -3.318  -7.658  1.00  0.00           H  
HETATM  787  H2  HOH B 216       1.879  -3.650  -7.373  1.00  0.00           H  
HETATM  788  O   HOH B 217      -5.504  -9.333   6.925  1.00  0.00           O  
HETATM  789  H1  HOH B 217      -4.686  -9.222   7.408  1.00  0.00           H  
HETATM  790  H2  HOH B 217      -5.645 -10.280   6.905  1.00  0.00           H  
HETATM  791  O   HOH B 218      -2.791  -6.036   7.559  1.00  0.00           O  
HETATM  792  H1  HOH B 218      -3.096  -5.243   7.118  1.00  0.00           H  
HETATM  793  H2  HOH B 218      -2.114  -5.729   8.163  1.00  0.00           H  
HETATM  794  O   HOH B 219       7.816   5.305   5.794  1.00  0.00           O  
HETATM  795  H1  HOH B 219       7.446   5.043   4.951  1.00  0.00           H  
HETATM  796  H2  HOH B 219       8.265   4.522   6.113  1.00  0.00           H  
HETATM  797  O   HOH B 220     -10.144  -8.107 -10.131  1.00  0.00           O  
HETATM  798  H1  HOH B 220     -10.366  -7.182 -10.237  1.00  0.00           H  
HETATM  799  H2  HOH B 220      -9.974  -8.417 -11.020  1.00  0.00           H  
HETATM  800  O   HOH B 221       7.659   0.309  -6.133  1.00  0.00           O  
HETATM  801  H1  HOH B 221       7.622   1.072  -5.557  1.00  0.00           H  
HETATM  802  H2  HOH B 221       8.326   0.530  -6.783  1.00  0.00           H  
HETATM  803  O   HOH B 222     -10.202   1.683  -4.763  1.00  0.00           O  
HETATM  804  H1  HOH B 222     -10.519   2.234  -5.478  1.00  0.00           H  
HETATM  805  H2  HOH B 222     -10.211   0.795  -5.122  1.00  0.00           H  
HETATM  806  O   HOH B 223       7.735   5.899  -9.517  1.00  0.00           O  
HETATM  807  H1  HOH B 223       6.797   6.028  -9.379  1.00  0.00           H  
HETATM  808  H2  HOH B 223       8.128   6.745  -9.302  1.00  0.00           H  
HETATM  809  O   HOH B 224       7.445 -10.136  -2.138  1.00  0.00           O  
HETATM  810  H1  HOH B 224       6.986 -10.098  -1.299  1.00  0.00           H  
HETATM  811  H2  HOH B 224       7.979 -10.929  -2.084  1.00  0.00           H  
HETATM  812  O   HOH B 225       8.848  -5.674   0.461  1.00  0.00           O  
HETATM  813  H1  HOH B 225       9.636  -5.270   0.098  1.00  0.00           H  
HETATM  814  H2  HOH B 225       8.214  -5.649  -0.256  1.00  0.00           H  
HETATM  815  O   HOH B 226      11.468   8.518   3.250  1.00  0.00           O  
HETATM  816  H1  HOH B 226      11.097   8.061   4.005  1.00  0.00           H  
HETATM  817  H2  HOH B 226      10.709   8.766   2.723  1.00  0.00           H  
HETATM  818  O   HOH B 227      -9.650  -1.123  -0.407  1.00  0.00           O  
HETATM  819  H1  HOH B 227      -8.992  -0.459  -0.200  1.00  0.00           H  
HETATM  820  H2  HOH B 227     -10.019  -0.842  -1.245  1.00  0.00           H  
HETATM  821  O   HOH B 228       8.899  11.557  -1.548  1.00  0.00           O  
HETATM  822  H1  HOH B 228       9.362  12.060  -0.878  1.00  0.00           H  
HETATM  823  H2  HOH B 228       8.735  10.707  -1.140  1.00  0.00           H  
HETATM  824  O   HOH B 229     -10.510  -6.963  -3.318  1.00  0.00           O  
HETATM  825  H1  HOH B 229     -10.986  -7.583  -3.870  1.00  0.00           H  
HETATM  826  H2  HOH B 229     -10.185  -6.300  -3.928  1.00  0.00           H  
HETATM  827  O   HOH B 230      -5.037 -11.262   0.853  1.00  0.00           O  
HETATM  828  H1  HOH B 230      -4.177 -10.891   1.051  1.00  0.00           H  
HETATM  829  H2  HOH B 230      -5.309 -10.821   0.049  1.00  0.00           H  
HETATM  830  O   HOH B 231      -0.444  -5.648 -10.970  1.00  0.00           O  
HETATM  831  H1  HOH B 231      -0.880  -4.808 -11.114  1.00  0.00           H  
HETATM  832  H2  HOH B 231      -0.050  -5.861 -11.816  1.00  0.00           H  
HETATM  833  O   HOH B 232      -2.947  -7.634   5.268  1.00  0.00           O  
HETATM  834  H1  HOH B 232      -2.933  -7.138   6.087  1.00  0.00           H  
HETATM  835  H2  HOH B 232      -2.028  -7.837   5.095  1.00  0.00           H  
HETATM  836  O   HOH B 233       6.487 -10.005   0.460  1.00  0.00           O  
HETATM  837  H1  HOH B 233       7.069 -10.259   1.176  1.00  0.00           H  
HETATM  838  H2  HOH B 233       6.444  -9.051   0.511  1.00  0.00           H  
HETATM  839  O   HOH B 234      -8.282   5.265   2.674  1.00  0.00           O  
HETATM  840  H1  HOH B 234      -9.140   5.520   2.336  1.00  0.00           H  
HETATM  841  H2  HOH B 234      -8.272   5.591   3.574  1.00  0.00           H  
HETATM  842  O   HOH B 235      -9.174  -7.036  11.357  1.00  0.00           O  
HETATM  843  H1  HOH B 235      -9.074  -6.469  10.593  1.00  0.00           H  
HETATM  844  H2  HOH B 235      -9.397  -6.438  12.071  1.00  0.00           H  
HETATM  845  O   HOH B 236       7.432  -0.781   0.137  1.00  0.00           O  
HETATM  846  H1  HOH B 236       7.422   0.096   0.519  1.00  0.00           H  
HETATM  847  H2  HOH B 236       7.618  -0.637  -0.791  1.00  0.00           H  
HETATM  848  O   HOH B 237     -10.405  -3.760  -0.923  1.00  0.00           O  
HETATM  849  H1  HOH B 237      -9.683  -4.103  -1.450  1.00  0.00           H  
HETATM  850  H2  HOH B 237     -10.171  -2.846  -0.763  1.00  0.00           H  
HETATM  851  O   HOH B 238      -8.053  -3.693   6.021  1.00  0.00           O  
HETATM  852  H1  HOH B 238      -7.233  -3.674   6.513  1.00  0.00           H  
HETATM  853  H2  HOH B 238      -8.653  -3.151   6.533  1.00  0.00           H  
HETATM  854  O   HOH B 239      -6.520  -8.731  -8.017  1.00  0.00           O  
HETATM  855  H1  HOH B 239      -6.237  -8.182  -7.286  1.00  0.00           H  
HETATM  856  H2  HOH B 239      -6.441  -9.627  -7.689  1.00  0.00           H  
HETATM  857  O   HOH B 240       7.719  -7.860  -3.613  1.00  0.00           O  
HETATM  858  H1  HOH B 240       7.730  -8.670  -3.103  1.00  0.00           H  
HETATM  859  H2  HOH B 240       7.534  -7.175  -2.970  1.00  0.00           H  
HETATM  860  O   HOH B 241       9.201  -3.637  -2.654  1.00  0.00           O  
HETATM  861  H1  HOH B 241       8.459  -4.189  -2.406  1.00  0.00           H  
HETATM  862  H2  HOH B 241       8.849  -3.046  -3.320  1.00  0.00           H  
HETATM  863  O   HOH B 242       6.979  -5.468  -4.992  1.00  0.00           O  
HETATM  864  H1  HOH B 242       6.833  -5.250  -4.072  1.00  0.00           H  
HETATM  865  H2  HOH B 242       7.487  -6.279  -4.969  1.00  0.00           H  
HETATM  866  O   HOH B 243      -8.601   5.144   9.718  1.00  0.00           O  
HETATM  867  H1  HOH B 243      -9.509   5.056   9.425  1.00  0.00           H  
HETATM  868  H2  HOH B 243      -8.133   4.445   9.261  1.00  0.00           H  
HETATM  869  O   HOH B 244       0.717  -8.056  -0.108  1.00  0.00           O  
HETATM  870  H1  HOH B 244       1.649  -7.842  -0.069  1.00  0.00           H  
HETATM  871  H2  HOH B 244       0.588  -8.693   0.595  1.00  0.00           H  
HETATM  872  O   HOH B 245      -8.048  -6.169   3.140  1.00  0.00           O  
HETATM  873  H1  HOH B 245      -8.383  -6.101   4.035  1.00  0.00           H  
HETATM  874  H2  HOH B 245      -8.635  -5.619   2.622  1.00  0.00           H  
HETATM  875  O   HOH B 246     -10.609   6.863  -3.955  1.00  0.00           O  
HETATM  876  H1  HOH B 246     -10.633   6.476  -3.080  1.00  0.00           H  
HETATM  877  H2  HOH B 246     -11.521   6.858  -4.245  1.00  0.00           H  
HETATM  878  O   HOH B 247      -0.950   4.310   8.435  1.00  0.00           O  
HETATM  879  H1  HOH B 247      -0.619   3.820   7.682  1.00  0.00           H  
HETATM  880  H2  HOH B 247      -1.884   4.104   8.464  1.00  0.00           H  
HETATM  881  O   HOH B 248       8.333  -5.373   3.102  1.00  0.00           O  
HETATM  882  H1  HOH B 248       7.400  -5.206   2.968  1.00  0.00           H  
HETATM  883  H2  HOH B 248       8.673  -5.548   2.225  1.00  0.00           H  
HETATM  884  O   HOH B 249      -9.199  -2.646 -10.176  1.00  0.00           O  
HETATM  885  H1  HOH B 249      -9.560  -1.798  -9.917  1.00  0.00           H  
HETATM  886  H2  HOH B 249      -8.250  -2.521 -10.153  1.00  0.00           H  
HETATM  887  O   HOH B 250       2.936   6.103 -10.728  1.00  0.00           O  
HETATM  888  H1  HOH B 250       2.865   5.218 -10.372  1.00  0.00           H  
HETATM  889  H2  HOH B 250       2.551   6.042 -11.602  1.00  0.00           H  
HETATM  890  O   HOH B 251       8.440   2.588   5.465  1.00  0.00           O  
HETATM  891  H1  HOH B 251       8.012   2.921   4.676  1.00  0.00           H  
HETATM  892  H2  HOH B 251       7.862   1.891   5.776  1.00  0.00           H  
HETATM  893  O   HOH B 252       8.223 -11.360   5.438  1.00  0.00           O  
HETATM  894  H1  HOH B 252       7.273 -11.281   5.346  1.00  0.00           H  
HETATM  895  H2  HOH B 252       8.476 -10.608   5.972  1.00  0.00           H  
HETATM  896  O   HOH B 253      -4.198   5.784  -5.821  1.00  0.00           O  
HETATM  897  H1  HOH B 253      -4.144   4.893  -5.475  1.00  0.00           H  
HETATM  898  H2  HOH B 253      -4.452   5.671  -6.737  1.00  0.00           H  
HETATM  899  O   HOH B 254     -11.966   0.343  -7.707  1.00  0.00           O  
HETATM  900  H1  HOH B 254     -11.735   1.241  -7.471  1.00  0.00           H  
HETATM  901  H2  HOH B 254     -12.891   0.389  -7.950  1.00  0.00           H  
HETATM  902  O   HOH B 255       8.668  -3.183  -6.763  1.00  0.00           O  
HETATM  903  H1  HOH B 255       9.618  -3.079  -6.709  1.00  0.00           H  
HETATM  904  H2  HOH B 255       8.340  -2.837  -5.933  1.00  0.00           H  
HETATM  905  O   HOH B 256       3.958 -10.525  -6.497  1.00  0.00           O  
HETATM  906  H1  HOH B 256       3.164 -10.091  -6.185  1.00  0.00           H  
HETATM  907  H2  HOH B 256       4.673 -10.046  -6.079  1.00  0.00           H  
HETATM  908  O   HOH B 257       6.166  -3.203   0.485  1.00  0.00           O  
HETATM  909  H1  HOH B 257       6.487  -2.350   0.192  1.00  0.00           H  
HETATM  910  H2  HOH B 257       6.337  -3.790  -0.251  1.00  0.00           H  
HETATM  911  O   HOH B 258       8.934   5.793   2.467  1.00  0.00           O  
HETATM  912  H1  HOH B 258       9.260   6.229   3.254  1.00  0.00           H  
HETATM  913  H2  HOH B 258       8.308   5.146   2.792  1.00  0.00           H  
HETATM  914  O   HOH B 259     -10.407  -0.906  -5.687  1.00  0.00           O  
HETATM  915  H1  HOH B 259     -10.970  -0.727  -6.440  1.00  0.00           H  
HETATM  916  H2  HOH B 259      -9.701  -1.448  -6.038  1.00  0.00           H  
HETATM  917  O   HOH B 260       4.872  -3.201  -3.050  1.00  0.00           O  
HETATM  918  H1  HOH B 260       5.414  -3.842  -2.590  1.00  0.00           H  
HETATM  919  H2  HOH B 260       4.831  -2.451  -2.456  1.00  0.00           H  
HETATM  920  O   HOH B 261       3.451  -7.993   0.171  1.00  0.00           O  
HETATM  921  H1  HOH B 261       4.326  -7.690   0.413  1.00  0.00           H  
HETATM  922  H2  HOH B 261       3.357  -8.835   0.617  1.00  0.00           H  
HETATM  923  O   HOH B 262       7.368  -5.512  -8.031  1.00  0.00           O  
HETATM  924  H1  HOH B 262       7.764  -5.043  -7.297  1.00  0.00           H  
HETATM  925  H2  HOH B 262       7.206  -4.836  -8.689  1.00  0.00           H  
HETATM  926  O   HOH B 263       8.088  -8.614   6.411  1.00  0.00           O  
HETATM  927  H1  HOH B 263       8.037  -8.551   5.457  1.00  0.00           H  
HETATM  928  H2  HOH B 263       7.631  -7.835   6.728  1.00  0.00           H  
HETATM  929  O   HOH B 264       9.327   0.909  -8.297  1.00  0.00           O  
HETATM  930  H1  HOH B 264       9.137   1.843  -8.385  1.00  0.00           H  
HETATM  931  H2  HOH B 264       8.693   0.480  -8.871  1.00  0.00           H  
HETATM  932  O   HOH B 265      -7.708  -2.780   9.975  1.00  0.00           O  
HETATM  933  H1  HOH B 265      -7.737  -1.830  10.092  1.00  0.00           H  
HETATM  934  H2  HOH B 265      -6.793  -3.013  10.131  1.00  0.00           H  
HETATM  935  O   HOH B 266      -8.861  -5.204   9.338  1.00  0.00           O  
HETATM  936  H1  HOH B 266      -8.632  -4.327   9.645  1.00  0.00           H  
HETATM  937  H2  HOH B 266      -8.065  -5.527   8.917  1.00  0.00           H  
HETATM  938  O   HOH B 267       5.779   5.044  -6.672  1.00  0.00           O  
HETATM  939  H1  HOH B 267       5.734   4.148  -7.006  1.00  0.00           H  
HETATM  940  H2  HOH B 267       5.530   5.591  -7.417  1.00  0.00           H  
HETATM  941  O   HOH B 268       6.938  -3.670  12.173  1.00  0.00           O  
HETATM  942  H1  HOH B 268       7.763  -4.021  11.838  1.00  0.00           H  
HETATM  943  H2  HOH B 268       7.118  -3.468  13.091  1.00  0.00           H  
HETATM  944  O   HOH B 269     -10.966  -7.202  -7.276  1.00  0.00           O  
HETATM  945  H1  HOH B 269     -11.753  -7.087  -7.809  1.00  0.00           H  
HETATM  946  H2  HOH B 269     -11.266  -7.681  -6.504  1.00  0.00           H  
HETATM  947  O   HOH B 270       4.335  -5.503   9.507  1.00  0.00           O  
HETATM  948  H1  HOH B 270       3.893  -6.308   9.238  1.00  0.00           H  
HETATM  949  H2  HOH B 270       5.214  -5.784   9.761  1.00  0.00           H  
HETATM  950  O   HOH B 271       7.041  -6.220   9.796  1.00  0.00           O  
HETATM  951  H1  HOH B 271       7.422  -7.098   9.825  1.00  0.00           H  
HETATM  952  H2  HOH B 271       7.723  -5.651  10.154  1.00  0.00           H  
HETATM  953  O   HOH B 272       6.136  -2.892   9.677  1.00  0.00           O  
HETATM  954  H1  HOH B 272       6.291  -3.171  10.579  1.00  0.00           H  
HETATM  955  H2  HOH B 272       5.200  -2.693   9.645  1.00  0.00           H  
HETATM  956  O   HOH B 273       9.873  -0.480   1.384  1.00  0.00           O  
HETATM  957  H1  HOH B 273       9.117  -0.877   0.951  1.00  0.00           H  
HETATM  958  H2  HOH B 273       9.664   0.453   1.425  1.00  0.00           H  
HETATM  959  O   HOH B 274       9.119  -4.448  10.559  1.00  0.00           O  
HETATM  960  H1  HOH B 274       8.994  -3.783   9.881  1.00  0.00           H  
HETATM  961  H2  HOH B 274      10.056  -4.421  10.751  1.00  0.00           H  
HETATM  962  O   HOH B 275      -9.976  -2.151   2.138  1.00  0.00           O  
HETATM  963  H1  HOH B 275     -10.604  -1.635   2.645  1.00  0.00           H  
HETATM  964  H2  HOH B 275      -9.965  -1.736   1.276  1.00  0.00           H  
HETATM  965  O   HOH B 276       8.150   1.739   1.211  1.00  0.00           O  
HETATM  966  H1  HOH B 276       8.408   2.593   0.863  1.00  0.00           H  
HETATM  967  H2  HOH B 276       7.427   1.932   1.808  1.00  0.00           H  
HETATM  968  O   HOH B 277      -9.593   3.729   5.206  1.00  0.00           O  
HETATM  969  H1  HOH B 277      -9.203   4.603   5.222  1.00  0.00           H  
HETATM  970  H2  HOH B 277     -10.309   3.797   4.575  1.00  0.00           H  
HETATM  971  O   HOH B 278      -8.512   1.822   6.781  1.00  0.00           O  
HETATM  972  H1  HOH B 278      -7.905   2.312   7.335  1.00  0.00           H  
HETATM  973  H2  HOH B 278      -8.904   2.483   6.210  1.00  0.00           H  
HETATM  974  O   HOH B 279       5.784  -3.767   7.009  1.00  0.00           O  
HETATM  975  H1  HOH B 279       5.380  -2.935   6.761  1.00  0.00           H  
HETATM  976  H2  HOH B 279       5.889  -3.708   7.959  1.00  0.00           H  
HETATM  977  O   HOH B 280       4.606  -7.911   3.352  1.00  0.00           O  
HETATM  978  H1  HOH B 280       4.586  -8.036   4.301  1.00  0.00           H  
HETATM  979  H2  HOH B 280       4.104  -7.109   3.205  1.00  0.00           H  
HETATM  980  O   HOH B 281      -5.310  -8.857  10.379  1.00  0.00           O  
HETATM  981  H1  HOH B 281      -4.652  -8.861   9.683  1.00  0.00           H  
HETATM  982  H2  HOH B 281      -4.827  -9.107  11.166  1.00  0.00           H  
HETATM  983  O   HOH B 282     -11.974   2.557   7.978  1.00  0.00           O  
HETATM  984  H1  HOH B 282     -12.641   2.223   7.377  1.00  0.00           H  
HETATM  985  H2  HOH B 282     -11.480   1.781   8.243  1.00  0.00           H  
HETATM  986  O   HOH B 283     -10.150   0.488   8.504  1.00  0.00           O  
HETATM  987  H1  HOH B 283      -9.503   0.338   9.193  1.00  0.00           H  
HETATM  988  H2  HOH B 283      -9.672   0.962   7.824  1.00  0.00           H  
HETATM  989  O   HOH B 284      -8.276  -2.321  -6.710  1.00  0.00           O  
HETATM  990  H1  HOH B 284      -7.823  -1.859  -7.416  1.00  0.00           H  
HETATM  991  H2  HOH B 284      -7.806  -3.150  -6.625  1.00  0.00           H  
HETATM  992  O   HOH B 285       1.088  -3.975   7.540  1.00  0.00           O  
HETATM  993  H1  HOH B 285       1.152  -3.061   7.266  1.00  0.00           H  
HETATM  994  H2  HOH B 285       1.699  -4.441   6.969  1.00  0.00           H  
HETATM  995  O   HOH B 286       5.786   3.716   9.792  1.00  0.00           O  
HETATM  996  H1  HOH B 286       6.215   3.895  10.629  1.00  0.00           H  
HETATM  997  H2  HOH B 286       6.138   4.377   9.196  1.00  0.00           H  
HETATM  998  O   HOH B 287      -7.917  -8.854   4.708  1.00  0.00           O  
HETATM  999  H1  HOH B 287      -7.893  -9.811   4.708  1.00  0.00           H  
HETATM 1000  H2  HOH B 287      -8.830  -8.638   4.897  1.00  0.00           H  
HETATM 1001  O   HOH B 288      -8.540  -8.191  -5.837  1.00  0.00           O  
HETATM 1002  H1  HOH B 288      -7.985  -8.613  -5.181  1.00  0.00           H  
HETATM 1003  H2  HOH B 288      -8.799  -7.362  -5.435  1.00  0.00           H  
HETATM 1004  O   HOH B 289       8.621  -2.427   8.685  1.00  0.00           O  
HETATM 1005  H1  HOH B 289       8.781  -1.485   8.620  1.00  0.00           H  
HETATM 1006  H2  HOH B 289       7.716  -2.496   8.987  1.00  0.00           H  
HETATM 1007  O   HOH B 290      10.009   4.920  -6.732  1.00  0.00           O  
HETATM 1008  H1  HOH B 290       9.484   4.350  -7.293  1.00  0.00           H  
HETATM 1009  H2  HOH B 290      10.806   5.085  -7.236  1.00  0.00           H  
HETATM 1010  O   HOH B 291       5.565 -10.786   5.014  1.00  0.00           O  
HETATM 1011  H1  HOH B 291       5.184 -10.855   4.139  1.00  0.00           H  
HETATM 1012  H2  HOH B 291       5.326  -9.908   5.312  1.00  0.00           H  
HETATM 1013  O   HOH B 292       4.153  -9.761  -3.250  1.00  0.00           O  
HETATM 1014  H1  HOH B 292       4.850  -9.717  -3.904  1.00  0.00           H  
HETATM 1015  H2  HOH B 292       4.087  -8.868  -2.909  1.00  0.00           H  
HETATM 1016  O   HOH B 293       4.009  -7.119  -2.362  1.00  0.00           O  
HETATM 1017  H1  HOH B 293       4.815  -6.613  -2.259  1.00  0.00           H  
HETATM 1018  H2  HOH B 293       3.766  -7.368  -1.471  1.00  0.00           H  
HETATM 1019  O   HOH B 294       4.694 -11.685   7.467  1.00  0.00           O  
HETATM 1020  H1  HOH B 294       4.154 -12.452   7.277  1.00  0.00           H  
HETATM 1021  H2  HOH B 294       5.092 -11.458   6.626  1.00  0.00           H  
HETATM 1022  O   HOH B 295       5.923  -8.999  -5.362  1.00  0.00           O  
HETATM 1023  H1  HOH B 295       6.576  -8.646  -4.758  1.00  0.00           H  
HETATM 1024  H2  HOH B 295       6.218  -8.714  -6.227  1.00  0.00           H  
HETATM 1025  O   HOH B 296       9.582  -1.016   4.095  1.00  0.00           O  
HETATM 1026  H1  HOH B 296       9.899  -0.708   3.246  1.00  0.00           H  
HETATM 1027  H2  HOH B 296       8.793  -0.500   4.258  1.00  0.00           H  
HETATM 1028  O   HOH B 297      -9.618   7.166   7.538  1.00  0.00           O  
HETATM 1029  H1  HOH B 297      -9.526   7.513   8.426  1.00  0.00           H  
HETATM 1030  H2  HOH B 297     -10.231   6.436   7.628  1.00  0.00           H  
HETATM 1031  O   HOH B 298       5.101   6.592  -4.522  1.00  0.00           O  
HETATM 1032  H1  HOH B 298       4.164   6.778  -4.571  1.00  0.00           H  
HETATM 1033  H2  HOH B 298       5.273   6.023  -5.273  1.00  0.00           H  
HETATM 1034  O   HOH B 299       9.128   8.981  -5.998  1.00  0.00           O  
HETATM 1035  H1  HOH B 299       8.264   8.831  -5.616  1.00  0.00           H  
HETATM 1036  H2  HOH B 299       9.530   9.640  -5.432  1.00  0.00           H  
HETATM 1037  O   HOH B 300       9.008   8.522   1.903  1.00  0.00           O  
HETATM 1038  H1  HOH B 300       8.915   8.738   0.975  1.00  0.00           H  
HETATM 1039  H2  HOH B 300       8.980   7.566   1.931  1.00  0.00           H  
HETATM 1040  O   HOH B 301      10.166  10.113  -3.664  1.00  0.00           O  
HETATM 1041  H1  HOH B 301       9.969   9.280  -3.234  1.00  0.00           H  
HETATM 1042  H2  HOH B 301       9.826  10.778  -3.065  1.00  0.00           H  
HETATM 1043  O   HOH B 302      -6.626   9.353   9.611  1.00  0.00           O  
HETATM 1044  H1  HOH B 302      -7.121   9.370   8.792  1.00  0.00           H  
HETATM 1045  H2  HOH B 302      -6.674  10.251   9.939  1.00  0.00           H  
HETATM 1046  O   HOH B 303       7.608   5.607  -2.157  1.00  0.00           O  
HETATM 1047  H1  HOH B 303       6.678   5.661  -1.937  1.00  0.00           H  
HETATM 1048  H2  HOH B 303       7.623   5.291  -3.060  1.00  0.00           H  
HETATM 1049  O   HOH B 304       8.464   9.017  -0.705  1.00  0.00           O  
HETATM 1050  H1  HOH B 304       7.539   8.783  -0.628  1.00  0.00           H  
HETATM 1051  H2  HOH B 304       8.805   8.429  -1.379  1.00  0.00           H  
HETATM 1052  O   HOH B 305       9.481   7.314   4.842  1.00  0.00           O  
HETATM 1053  H1  HOH B 305       9.194   8.183   5.122  1.00  0.00           H  
HETATM 1054  H2  HOH B 305       8.935   6.708   5.341  1.00  0.00           H  
HETATM 1055  O   HOH B 306       7.098   8.432  -4.182  1.00  0.00           O  
HETATM 1056  H1  HOH B 306       6.384   7.828  -4.386  1.00  0.00           H  
HETATM 1057  H2  HOH B 306       7.758   7.886  -3.754  1.00  0.00           H  
HETATM 1058  O   HOH B 307       8.636   4.232   0.067  1.00  0.00           O  
HETATM 1059  H1  HOH B 307       8.795   4.779   0.836  1.00  0.00           H  
HETATM 1060  H2  HOH B 307       8.366   4.847  -0.615  1.00  0.00           H  
HETATM 1061  O   HOH B 308       4.771   8.683   5.334  1.00  0.00           O  
HETATM 1062  H1  HOH B 308       4.214   8.040   4.896  1.00  0.00           H  
HETATM 1063  H2  HOH B 308       5.468   8.866   4.705  1.00  0.00           H  
HETATM 1064  O   HOH B 309     -11.155   5.082   8.605  1.00  0.00           O  
HETATM 1065  H1  HOH B 309     -11.352   4.198   8.297  1.00  0.00           H  
HETATM 1066  H2  HOH B 309     -11.973   5.387   8.999  1.00  0.00           H  
HETATM 1067  O   HOH B 310      -3.991  10.931   4.616  1.00  0.00           O  
HETATM 1068  H1  HOH B 310      -3.779  11.796   4.966  1.00  0.00           H  
HETATM 1069  H2  HOH B 310      -3.184  10.426   4.721  1.00  0.00           H  
HETATM 1070  O   HOH B 311       2.739  10.592  -8.534  1.00  0.00           O  
HETATM 1071  H1  HOH B 311       2.581   9.741  -8.942  1.00  0.00           H  
HETATM 1072  H2  HOH B 311       3.633  10.534  -8.197  1.00  0.00           H  
HETATM 1073  O   HOH B 312       3.201  -5.461   3.320  1.00  0.00           O  
HETATM 1074  H1  HOH B 312       2.969  -5.317   4.237  1.00  0.00           H  
HETATM 1075  H2  HOH B 312       2.538  -4.979   2.826  1.00  0.00           H  
HETATM 1076  O   HOH B 313       9.437   7.511  -2.768  1.00  0.00           O  
HETATM 1077  H1  HOH B 313       8.981   6.723  -2.472  1.00  0.00           H  
HETATM 1078  H2  HOH B 313      10.001   7.208  -3.480  1.00  0.00           H  
HETATM 1079  O   HOH B 314       5.767   8.475  -0.639  1.00  0.00           O  
HETATM 1080  H1  HOH B 314       5.471   7.665  -1.056  1.00  0.00           H  
HETATM 1081  H2  HOH B 314       5.689   9.139  -1.324  1.00  0.00           H  
HETATM 1082  O   HOH B 315     -10.689 -11.184  -5.468  1.00  0.00           O  
HETATM 1083  H1  HOH B 315     -11.114 -12.041  -5.475  1.00  0.00           H  
HETATM 1084  H2  HOH B 315      -9.935 -11.295  -4.889  1.00  0.00           H  
HETATM 1085  O   HOH B 316       3.108 -10.767  -9.120  1.00  0.00           O  
HETATM 1086  H1  HOH B 316       3.407 -10.641  -8.220  1.00  0.00           H  
HETATM 1087  H2  HOH B 316       2.894 -11.699  -9.174  1.00  0.00           H  
HETATM 1088  O   HOH B 317       8.734   8.396  -8.658  1.00  0.00           O  
HETATM 1089  H1  HOH B 317       9.493   8.733  -9.134  1.00  0.00           H  
HETATM 1090  H2  HOH B 317       8.927   8.580  -7.739  1.00  0.00           H  
HETATM 1091  O   HOH B 318     -11.541  10.220  -5.225  1.00  0.00           O  
HETATM 1092  H1  HOH B 318     -11.723   9.636  -5.961  1.00  0.00           H  
HETATM 1093  H2  HOH B 318     -12.323  10.166  -4.677  1.00  0.00           H  
HETATM 1094  O   HOH B 319       5.076   6.380  -8.948  1.00  0.00           O  
HETATM 1095  H1  HOH B 319       4.389   6.300  -9.610  1.00  0.00           H  
HETATM 1096  H2  HOH B 319       5.220   7.323  -8.865  1.00  0.00           H  
HETATM 1097  O   HOH B 320       6.561   9.311   7.404  1.00  0.00           O  
HETATM 1098  H1  HOH B 320       6.181   9.282   8.282  1.00  0.00           H  
HETATM 1099  H2  HOH B 320       5.863   8.998   6.829  1.00  0.00           H  
HETATM 1100  O   HOH B 321       7.761  -8.826   9.260  1.00  0.00           O  
HETATM 1101  H1  HOH B 321       8.141  -8.941   8.389  1.00  0.00           H  
HETATM 1102  H2  HOH B 321       6.876  -9.182   9.185  1.00  0.00           H  
HETATM 1103  O   HOH B 322      -9.748   7.951 -11.137  1.00  0.00           O  
HETATM 1104  H1  HOH B 322      -9.745   8.864 -10.851  1.00  0.00           H  
HETATM 1105  H2  HOH B 322      -9.612   7.995 -12.084  1.00  0.00           H  
HETATM 1106  O   HOH B 323       6.216  -9.331  11.740  1.00  0.00           O  
HETATM 1107  H1  HOH B 323       5.672  -9.550  10.983  1.00  0.00           H  
HETATM 1108  H2  HOH B 323       7.086  -9.175  11.373  1.00  0.00           H  
HETATM 1109  O   HOH B 324      10.826   6.911  -5.024  1.00  0.00           O  
HETATM 1110  H1  HOH B 324      10.624   6.130  -5.540  1.00  0.00           H  
HETATM 1111  H2  HOH B 324      10.469   7.636  -5.537  1.00  0.00           H  
HETATM 1112  O   HOH B 325       8.505   9.847   5.600  1.00  0.00           O  
HETATM 1113  H1  HOH B 325       7.951   9.689   6.364  1.00  0.00           H  
HETATM 1114  H2  HOH B 325       8.616  10.797   5.576  1.00  0.00           H  
HETATM 1115  O   HOH B 326       7.288 -10.838  -8.306  1.00  0.00           O  
HETATM 1116  H1  HOH B 326       7.175  -9.926  -8.038  1.00  0.00           H  
HETATM 1117  H2  HOH B 326       7.665 -10.785  -9.184  1.00  0.00           H  
HETATM 1118  O   HOH B 327      -8.740  -8.620   7.734  1.00  0.00           O  
HETATM 1119  H1  HOH B 327      -8.564  -8.989   8.599  1.00  0.00           H  
HETATM 1120  H2  HOH B 327      -9.552  -8.124   7.845  1.00  0.00           H  
HETATM 1121  O   HOH B 328      -9.897  -5.326 -10.561  1.00  0.00           O  
HETATM 1122  H1  HOH B 328      -9.880  -4.369 -10.604  1.00  0.00           H  
HETATM 1123  H2  HOH B 328      -9.279  -5.546  -9.865  1.00  0.00           H  
TER    1124      HOH B 328
HETATM 1125 Na    NA C   1       2.203  10.375  -1.212  1.00  0.00          Na  
HETATM 1126 Na    NA C   2      -6.508  -7.871   3.038  1.00  0.00          Na  
HETATM 1127 Na    NA C   3      -8.301  -9.121   0.227  1.00  0.00          Na  
HETATM 1128 Na    NA C   4      -4.783   7.949   9.928  1.00  0.00          Na  
HETATM 1129 Na    NA C   5      -7.004  -7.629   6.549  1.00  0.00          Na  
HETATM 1130 Na    NA C   6       3.495  -3.739  -4.837  1.00  0.00          Na  
HETATM 1131 Na    NA C   7       9.139  -3.314   3.904  1.00  0.00          Na  
HETATM 1132 Na    NA C   8      -8.987  -8.343  -8.114  1.00  0.00          Na  
HETATM 1133 Cl    CL C   9       1.781   1.549   8.681  1.00  0.00          Cl  
HETATM 1134 Cl    CL C  10      -3.965   3.977   9.320  1.00  0.00          Cl  
HETATM 1135 Cl    CL C  11       2.718  -7.893   8.256  1.00  0.00          Cl  
HETATM 1136 Cl    CL C  12       2.612   3.308  -9.470  1.00  0.00          Cl  
HETATM 1137 Cl    CL C  13       6.699  -5.398  -1.848  1.00  0.00          Cl  
HETATM 1138 Cl    CL C  14      -6.529  -9.408  -3.794  1.00  0.00          Cl  
TER    1139       CL C  14
END