[3b722e]: / tests / data / pdbbind / 1imx / 1imx_pocket.pdb

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HEADER    1IMX_POCKET
COMPND    1IMX_POCKET
REMARK    GENERATED BY X-TOOL on Mon Nov 18 15:59:54 2013
ATOM      1  N   GLU     3      21.345  23.186  19.281  1.00 40.58           N
ATOM      2  HN1 GLU     3      20.985  24.090  18.914  1.00  0.00           H
ATOM      3  HN2 GLU     3      22.163  22.881  18.715  1.00  0.00           H
ATOM      4  HN3 GLU     3      20.597  22.466  19.227  1.00  0.00           H
ATOM      5  CA  GLU     3      21.763  23.360  20.702  1.00 39.28           C
ATOM      6  C   GLU     3      22.290  22.034  21.238  1.00 36.12           C
ATOM      7  O   GLU     3      21.547  21.053  21.341  1.00 34.69           O
ATOM      8  CB  GLU     3      20.574  23.829  21.544  1.00 43.29           C
ATOM      9  CG  GLU     3      20.929  24.248  22.961  1.00 47.70           C
ATOM     10  CD  GLU     3      21.855  25.450  23.005  1.00 51.18           C
ATOM     11  OE1 GLU     3      23.016  25.333  22.555  1.00 53.19           O
ATOM     12  OE2 GLU     3      21.417  26.516  23.491  1.00 53.34           O
ATOM     13  N   THR     4      23.577  22.006  21.570  1.00 32.31           N
ATOM     14  H   THR     4      24.151  22.867  21.463  1.00  0.00           H
ATOM     15  CA  THR     4      24.198  20.790  22.081  1.00 28.03           C
ATOM     16  C   THR     4      24.819  21.025  23.459  1.00 25.42           C
ATOM     17  O   THR     4      24.815  22.142  23.979  1.00 24.26           O
ATOM     18  CB  THR     4      25.302  20.275  21.124  1.00 27.05           C
ATOM     19  OG1 THR     4      26.390  21.207  21.103  1.00 30.04           O
ATOM     20  HG1 THR     4      27.094  20.876  20.491  1.00  0.00           H
ATOM     21  CG2 THR     4      24.759  20.119  19.705  1.00 30.38           C
ATOM     22  N   LEU     5      25.352  19.960  24.043  1.00 23.00           N
ATOM     23  H   LEU     5      25.327  19.046  23.548  1.00  0.00           H
ATOM     24  CA  LEU     5      25.973  20.038  25.363  1.00 20.75           C
ATOM     25  C   LEU     5      27.440  19.652  25.278  1.00 21.04           C
ATOM     26  O   LEU     5      27.760  18.511  24.968  1.00 19.87           O
ATOM     27  CB  LEU     5      25.267  19.090  26.330  1.00 22.80           C
ATOM     28  CG  LEU     5      23.833  19.428  26.732  1.00 23.29           C
ATOM     29  CD1 LEU     5      23.208  18.236  27.457  1.00 23.30           C
ATOM     30  CD2 LEU     5      23.837  20.660  27.606  1.00 23.89           C
ATOM     31  N   CYS     6      28.325  20.596  25.571  1.00 22.34           N
ATOM     32  H   CYS     6      27.995  21.544  25.841  1.00  0.00           H
ATOM     33  CA  CYS     6      29.754  20.318  25.518  1.00 23.49           C
ATOM     34  C   CYS     6      30.466  20.794  26.775  1.00 21.36           C
ATOM     35  O   CYS     6      29.958  21.639  27.503  1.00 21.75           O
ATOM     36  CB  CYS     6      30.390  21.014  24.318  1.00 25.95           C
ATOM     37  SG  CYS     6      29.722  20.565  22.681  1.00 32.41           S
ATOM     38  N   ALA     8      31.859  21.763  30.227  1.00 18.95           N
ATOM     39  H   ALA     8      32.421  22.554  29.852  1.00  0.00           H
ATOM     40  CA  ALA     8      31.240  21.895  31.539  1.00 19.05           C
ATOM     41  C   ALA     8      29.720  21.775  31.502  1.00 19.49           C
ATOM     42  O   ALA     8      29.117  21.255  32.440  1.00 17.58           O
ATOM     43  CB  ALA     8      31.636  23.226  32.172  1.00 21.91           C
ATOM     44  N   GLU     9      29.103  22.272  30.432  1.00 19.90           N
ATOM     45  H   GLU     9      29.661  22.719  29.677  1.00  0.00           H
ATOM     46  CA  GLU     9      27.648  22.195  30.309  1.00 22.32           C
ATOM     47  C   GLU     9      27.196  20.741  30.267  1.00 20.10           C
ATOM     48  O   GLU     9      26.156  20.387  30.827  1.00 18.44           O
ATOM     49  CB  GLU     9      27.170  22.921  29.044  1.00 23.26           C
ATOM     50  CG  GLU     9      27.153  24.436  29.162  1.00 33.59           C
ATOM     51  CD  GLU     9      26.747  25.128  27.865  1.00 40.51           C
ATOM     52  OE1 GLU     9      25.691  24.772  27.288  1.00 41.76           O
ATOM     53  OE2 GLU     9      27.486  26.037  27.427  1.00 46.41           O
ATOM     54  N   LEU    10      27.988  19.906  29.601  1.00 18.27           N
ATOM     55  H   LEU    10      28.854  20.280  29.162  1.00  0.00           H
ATOM     56  CA  LEU    10      27.688  18.489  29.464  1.00 19.45           C
ATOM     57  C   LEU    10      27.833  17.797  30.805  1.00 18.61           C
ATOM     58  O   LEU    10      27.012  16.967  31.162  1.00 18.14           O
ATOM     59  CB  LEU    10      28.625  17.834  28.439  1.00 17.40           C
ATOM     60  CG  LEU    10      28.493  16.318  28.247  1.00 17.55           C
ATOM     61  CD1 LEU    10      27.070  15.981  27.806  1.00 19.10           C
ATOM     62  CD2 LEU    10      29.503  15.836  27.210  1.00 20.59           C
ATOM     63  N   VAL    11      28.881  18.145  31.544  1.00 18.70           N
ATOM     64  H   VAL    11      29.548  18.855  31.181  1.00  0.00           H
ATOM     65  CA  VAL    11      29.112  17.550  32.852  1.00 16.93           C
ATOM     66  C   VAL    11      28.022  17.975  33.830  1.00 16.76           C
ATOM     67  O   VAL    11      27.551  17.152  34.623  1.00 15.91           O
ATOM     68  CB  VAL    11      30.497  17.947  33.409  1.00 18.06           C
ATOM     69  CG1 VAL    11      30.688  17.361  34.802  1.00 18.45           C
ATOM     70  CG2 VAL    11      31.590  17.425  32.478  1.00 19.40           C
ATOM     71  N   ASP    12      27.617  19.246  33.773  1.00 17.21           N
ATOM     72  H   ASP    12      28.070  19.894  33.097  1.00  0.00           H
ATOM     73  CA  ASP    12      26.545  19.750  34.644  1.00 18.82           C
ATOM     74  C   ASP    12      25.275  18.943  34.378  1.00 17.00           C
ATOM     75  O   ASP    12      24.578  18.538  35.304  1.00 16.81           O
ATOM     76  CB  ASP    12      26.199  21.225  34.361  1.00 20.21           C
ATOM     77  CG  ASP    12      27.135  22.216  35.041  1.00 28.80           C
ATOM     78  OD1 ASP    12      27.539  21.989  36.197  1.00 30.36           O
ATOM     79  OD2 ASP    12      27.433  23.256  34.416  1.00 32.22           O
ATOM     80  N   ALA    13      24.965  18.729  33.104  1.00 17.79           N
ATOM     81  H   ALA    13      25.588  19.094  32.356  1.00  0.00           H
ATOM     82  CA  ALA    13      23.758  17.986  32.739  1.00 16.89           C
ATOM     83  C   ALA    13      23.801  16.566  33.268  1.00 14.97           C
ATOM     84  O   ALA    13      22.814  16.064  33.792  1.00 17.49           O
ATOM     85  CB  ALA    13      23.572  17.971  31.210  1.00 14.93           C
ATOM     86  N   LEU    14      24.949  15.913  33.134  1.00 15.67           N
ATOM     87  H   LEU    14      25.758  16.382  32.679  1.00  0.00           H
ATOM     88  CA  LEU    14      25.086  14.548  33.618  1.00 18.93           C
ATOM     89  C   LEU    14      24.970  14.472  35.133  1.00 18.34           C
ATOM     90  O   LEU    14      24.328  13.566  35.662  1.00 20.26           O
ATOM     91  CB  LEU    14      26.422  13.961  33.171  1.00 18.87           C
ATOM     92  CG  LEU    14      26.467  13.635  31.678  1.00 21.41           C
ATOM     93  CD1 LEU    14      27.904  13.344  31.265  1.00 21.95           C
ATOM     94  CD2 LEU    14      25.559  12.447  31.384  1.00 23.31           C
ATOM     95  N   GLN    15      25.599  15.408  35.835  1.00 18.83           N
ATOM     96  H   GLN    15      26.140  16.150  35.346  1.00  0.00           H
ATOM     97  CA  GLN    15      25.530  15.394  37.296  1.00 20.82           C
ATOM     98  C   GLN    15      24.092  15.594  37.756  1.00 20.67           C
ATOM     99  O   GLN    15      23.660  15.000  38.737  1.00 21.67           O
ATOM    100  CB  GLN    15      26.433  16.479  37.902  1.00 23.04           C
ATOM    101  CG  GLN    15      27.904  16.332  37.526  1.00 27.53           C
ATOM    102  CD  GLN    15      28.806  17.317  38.255  1.00 32.52           C
ATOM    103  OE1 GLN    15      29.329  17.021  39.327  1.00 37.34           O
ATOM    104  NE2 GLN    15      28.984  18.495  37.677  1.00 34.41           N
ATOM    105 1HE2 GLN    15      29.586  19.211  38.131  1.00  0.00           H
ATOM    106 2HE2 GLN    15      28.522  18.704  36.769  1.00  0.00           H
ATOM    107  N   PHE    16      23.345  16.425  37.042  1.00 21.19           N
ATOM    108  H   PHE    16      23.752  16.902  36.212  1.00  0.00           H
ATOM    109  CA  PHE    16      21.957  16.675  37.412  1.00 20.83           C
ATOM    110  C   PHE    16      21.060  15.477  37.109  1.00 21.49           C
ATOM    111  O   PHE    16      20.275  15.039  37.960  1.00 21.46           O
ATOM    112  CB  PHE    16      21.413  17.895  36.672  1.00 21.79           C
ATOM    113  CG  PHE    16      20.010  18.257  37.071  1.00 23.48           C
ATOM    114  CD1 PHE    16      19.769  18.915  38.272  1.00 26.61           C
ATOM    115  CD2 PHE    16      18.927  17.902  36.270  1.00 24.91           C
ATOM    116  CE1 PHE    16      18.464  19.217  38.678  1.00 27.63           C
ATOM    117  CE2 PHE    16      17.617  18.195  36.660  1.00 25.43           C
ATOM    118  CZ  PHE    16      17.385  18.856  37.869  1.00 27.34           C
ATOM    119  N   VAL    17      21.175  14.948  35.894  1.00 20.63           N
ATOM    120  H   VAL    17      21.861  15.354  35.226  1.00  0.00           H
ATOM    121  CA  VAL    17      20.361  13.811  35.478  1.00 22.47           C
ATOM    122  C   VAL    17      20.721  12.504  36.183  1.00 23.97           C
ATOM    123  O   VAL    17      19.843  11.718  36.548  1.00 24.72           O
ATOM    124  CB  VAL    17      20.462  13.592  33.943  1.00 23.54           C
ATOM    125  CG1 VAL    17      19.797  12.278  33.543  1.00 23.66           C
ATOM    126  CG2 VAL    17      19.809  14.749  33.220  1.00 22.83           C
ATOM    127  N   CYS    18      22.008  12.269  36.393  1.00 23.54           N
ATOM    128  H   CYS    18      22.720  12.972  36.110  1.00  0.00           H
ATOM    129  CA  CYS    18      22.420  11.024  37.020  1.00 26.98           C
ATOM    130  C   CYS    18      22.367  11.045  38.544  1.00 28.88           C
ATOM    131  O   CYS    18      22.364   9.994  39.186  1.00 28.42           O
ATOM    132  CB  CYS    18      23.819  10.655  36.546  1.00 24.14           C
ATOM    133  SG  CYS    18      23.954  10.474  34.742  1.00 25.19           S
ATOM    134  N   GLU    46      27.577  11.775  20.472  1.00 25.17           N
ATOM    135  H   GLU    46      28.054  11.284  21.255  1.00  0.00           H
ATOM    136  CA  GLU    46      26.124  11.817  20.450  1.00 25.18           C
ATOM    137  C   GLU    46      25.461  13.097  20.946  1.00 25.24           C
ATOM    138  O   GLU    46      24.452  13.525  20.380  1.00 22.77           O
ATOM    139  CB  GLU    46      25.607  10.607  21.238  1.00 27.92           C
ATOM    140  CG  GLU    46      24.101  10.473  21.364  1.00 32.79           C
ATOM    141  CD  GLU    46      23.689   9.078  21.804  1.00 33.57           C
ATOM    142  OE1 GLU    46      24.427   8.467  22.604  1.00 34.85           O
ATOM    143  OE2 GLU    46      22.626   8.591  21.360  1.00 38.92           O
ATOM    144  N   CYS    47      26.043  13.720  21.972  1.00 23.11           N
ATOM    145  H   CYS    47      26.938  13.346  22.348  1.00  0.00           H
ATOM    146  CA  CYS    47      25.460  14.911  22.581  1.00 22.91           C
ATOM    147  C   CYS    47      26.165  16.251  22.458  1.00 22.44           C
ATOM    148  O   CYS    47      25.554  17.285  22.732  1.00 22.24           O
ATOM    149  CB  CYS    47      25.219  14.640  24.065  1.00 24.62           C
ATOM    150  SG  CYS    47      24.166  13.200  24.416  1.00 27.16           S
ATOM    151  N   CYS    48      27.441  16.259  22.084  1.00 20.75           N
ATOM    152  H   CYS    48      27.933  15.363  21.894  1.00  0.00           H
ATOM    153  CA  CYS    48      28.152  17.528  21.940  1.00 21.81           C
ATOM    154  C   CYS    48      28.352  17.853  20.460  1.00 23.14           C
ATOM    155  O   CYS    48      28.018  18.941  20.012  1.00 24.19           O
ATOM    156  CB  CYS    48      29.495  17.488  22.682  1.00 24.97           C
ATOM    157  SG  CYS    48      30.650  18.822  22.208  1.00 26.62           S
ATOM    158  N   ARG    50      26.791  16.340  18.183  1.00 30.00           N
ATOM    159  H   ARG    50      27.036  15.820  19.050  1.00  0.00           H
ATOM    160  CA  ARG    50      25.433  16.246  17.669  1.00 30.05           C
ATOM    161  C   ARG    50      24.488  16.564  18.821  1.00 29.81           C
ATOM    162  O   ARG    50      24.905  16.609  19.980  1.00 27.39           O
ATOM    163  CB  ARG    50      25.160  14.835  17.152  1.00 30.92           C
ATOM    164  CG  ARG    50      26.121  14.387  16.053  1.00 35.02           C
ATOM    165  CD  ARG    50      25.747  13.021  15.519  1.00 37.07           C
ATOM    166  NE  ARG    50      26.569  12.638  14.374  1.00 39.96           N
ATOM    167  HE  ARG    50      26.122  12.643  13.435  1.00  0.00           H
ATOM    168  CZ  ARG    50      27.849  12.283  14.448  1.00 41.40           C
ATOM    169  NH1 ARG    50      28.471  12.253  15.622  1.00 39.89           N
ATOM    170 1HH1 ARG    50      27.957  12.508  16.489  1.00  0.00           H
ATOM    171 2HH1 ARG    50      29.472  11.975  15.673  1.00  0.00           H
ATOM    172  NH2 ARG    50      28.508  11.962  13.341  1.00 39.75           N
ATOM    173 1HH2 ARG    50      28.023  11.989  12.421  1.00  0.00           H
ATOM    174 2HH2 ARG    50      29.509  11.684  13.394  1.00  0.00           H
ATOM    175  N   SER    51      23.222  16.797  18.505  1.00 29.87           N
ATOM    176  H   SER    51      22.925  16.766  17.509  1.00  0.00           H
ATOM    177  CA  SER    51      22.242  17.096  19.541  1.00 31.37           C
ATOM    178  C   SER    51      21.575  15.797  19.960  1.00 29.64           C
ATOM    179  O   SER    51      21.213  14.976  19.120  1.00 30.88           O
ATOM    180  CB  SER    51      21.192  18.080  19.015  1.00 32.94           C
ATOM    181  OG  SER    51      20.610  17.597  17.816  1.00 37.55           O
ATOM    182  HG  SER    51      21.315  17.484  17.131  1.00  0.00           H
ATOM    183  N   CYS    52      21.422  15.596  21.263  1.00 28.52           N
ATOM    184  H   CYS    52      21.755  16.311  21.941  1.00  0.00           H
ATOM    185  CA  CYS    52      20.791  14.381  21.744  1.00 26.31           C
ATOM    186  C   CYS    52      19.670  14.760  22.708  1.00 26.88           C
ATOM    187  O   CYS    52      19.685  15.844  23.280  1.00 26.07           O
ATOM    188  CB  CYS    52      21.832  13.473  22.426  1.00 26.56           C
ATOM    189  SG  CYS    52      22.278  13.907  24.144  1.00 28.95           S
ATOM    190  N   ASP    53      18.683  13.886  22.869  1.00 28.02           N
ATOM    191  H   ASP    53      18.694  12.987  22.346  1.00  0.00           H
ATOM    192  CA  ASP    53      17.586  14.188  23.778  1.00 27.91           C
ATOM    193  C   ASP    53      17.844  13.595  25.159  1.00 25.38           C
ATOM    194  O   ASP    53      18.759  12.787  25.337  1.00 24.78           O
ATOM    195  CB  ASP    53      16.254  13.679  23.215  1.00 33.12           C
ATOM    196  CG  ASP    53      16.282  12.206  22.878  1.00 37.43           C
ATOM    197  OD1 ASP    53      16.730  11.405  23.722  1.00 40.45           O
ATOM    198  OD2 ASP    53      15.841  11.845  21.765  1.00 43.58           O
ATOM    199  N   LEU    54      17.031  13.999  26.130  1.00 23.51           N
ATOM    200  H   LEU    54      16.264  14.662  25.896  1.00  0.00           H
ATOM    201  CA  LEU    54      17.172  13.548  27.516  1.00 21.61           C
ATOM    202  C   LEU    54      17.299  12.032  27.684  1.00 24.44           C
ATOM    203  O   LEU    54      18.137  11.554  28.450  1.00 23.83           O
ATOM    204  CB  LEU    54      15.990  14.063  28.351  1.00 24.06           C
ATOM    205  CG  LEU    54      16.009  13.745  29.851  1.00 23.03           C
ATOM    206  CD1 LEU    54      17.280  14.311  30.477  1.00 23.05           C
ATOM    207  CD2 LEU    54      14.766  14.337  30.519  1.00 21.62           C
ATOM    208  N   ARG    55      16.453  11.282  26.983  1.00 25.32           N
ATOM    209  H   ARG    55      15.758  11.748  26.365  1.00  0.00           H
ATOM    210  CA  ARG    55      16.472   9.824  27.056  1.00 29.27           C
ATOM    211  C   ARG    55      17.863   9.270  26.741  1.00 29.08           C
ATOM    212  O   ARG    55      18.388   8.439  27.481  1.00 30.02           O
ATOM    213  CB  ARG    55      15.428   9.252  26.084  1.00 32.36           C
ATOM    214  CG  ARG    55      15.889   8.069  25.255  1.00 38.90           C
ATOM    215  CD  ARG    55      14.976   7.878  24.047  1.00 45.72           C
ATOM    216  NE  ARG    55      15.564   6.999  23.039  1.00 47.82           N
ATOM    217  HE  ARG    55      16.393   6.433  23.311  1.00  0.00           H
ATOM    218  CZ  ARG    55      15.107   6.877  21.797  1.00 50.67           C
ATOM    219  NH1 ARG    55      14.051   7.577  21.403  1.00 51.86           N
ATOM    220 1HH1 ARG    55      13.578   8.223  22.067  1.00  0.00           H
ATOM    221 2HH1 ARG    55      13.696   7.479  20.430  1.00  0.00           H
ATOM    222  NH2 ARG    55      15.713   6.063  20.942  1.00 52.69           N
ATOM    223 1HH2 ARG    55      16.547   5.519  21.243  1.00  0.00           H
ATOM    224 2HH2 ARG    55      15.354   5.969  19.970  1.00  0.00           H
ATOM    225  N   ARG    56      18.459   9.741  25.650  1.00 28.87           N
ATOM    226  H   ARG    56      17.970  10.454  25.071  1.00  0.00           H
ATOM    227  CA  ARG    56      19.784   9.280  25.247  1.00 28.25           C
ATOM    228  C   ARG    56      20.836   9.710  26.261  1.00 26.10           C
ATOM    229  O   ARG    56      21.733   8.943  26.605  1.00 24.59           O
ATOM    230  CB  ARG    56      20.131   9.824  23.864  1.00 32.15           C
ATOM    231  CG  ARG    56      19.160   9.383  22.777  1.00 36.63           C
ATOM    232  CD  ARG    56      19.130   7.868  22.640  1.00 41.12           C
ATOM    233  NE  ARG    56      20.433   7.335  22.246  1.00 45.83           N
ATOM    234  HE  ARG    56      21.219   8.008  22.136  1.00  0.00           H
ATOM    235  CZ  ARG    56      20.682   6.048  22.019  1.00 47.14           C
ATOM    236  NH1 ARG    56      19.715   5.143  22.145  1.00 48.10           N
ATOM    237 1HH1 ARG    56      18.758   5.440  22.422  1.00  0.00           H
ATOM    238 2HH1 ARG    56      19.916   4.138  21.966  1.00  0.00           H
ATOM    239  NH2 ARG    56      21.903   5.663  21.668  1.00 47.14           N
ATOM    240 1HH2 ARG    56      22.662   6.367  21.571  1.00  0.00           H
ATOM    241 2HH2 ARG    56      22.100   4.657  21.490  1.00  0.00           H
ATOM    242  N   LEU    57      20.722  10.937  26.749  1.00 23.77           N
ATOM    243  H   LEU    57      19.948  11.550  26.422  1.00  0.00           H
ATOM    244  CA  LEU    57      21.666  11.438  27.737  1.00 24.25           C
ATOM    245  C   LEU    57      21.681  10.571  28.999  1.00 23.07           C
ATOM    246  O   LEU    57      22.743  10.211  29.503  1.00 22.21           O
ATOM    247  CB  LEU    57      21.313  12.878  28.114  1.00 23.53           C
ATOM    248  CG  LEU    57      22.196  13.524  29.182  1.00 26.78           C
ATOM    249  CD1 LEU    57      23.607  13.680  28.642  1.00 27.05           C
ATOM    250  CD2 LEU    57      21.616  14.880  29.573  1.00 29.06           C
ATOM    251  N   GLU    58      20.502  10.221  29.505  1.00 22.38           N
ATOM    252  H   GLU    58      19.629  10.524  29.028  1.00  0.00           H
ATOM    253  CA  GLU    58      20.416   9.418  30.720  1.00 23.58           C
ATOM    254  C   GLU    58      20.997   8.011  30.577  1.00 24.58           C
ATOM    255  O   GLU    58      21.277   7.344  31.571  1.00 25.79           O
ATOM    256  CB  GLU    58      18.962   9.339  31.208  1.00 28.54           C
ATOM    257  CG  GLU    58      18.846   8.882  32.659  1.00 33.93           C
ATOM    258  CD  GLU    58      17.432   8.981  33.202  1.00 39.15           C
ATOM    259  OE1 GLU    58      17.255   8.853  34.436  1.00 40.04           O
ATOM    260  OE2 GLU    58      16.501   9.186  32.393  1.00 38.91           O
HETATM  261  O   HOH     1      19.233  24.775  26.258  1.00 26.52           O
HETATM  262  O   HOH     2      23.844  21.902  31.091  1.00 25.18           O
HETATM  263  O   HOH     3      21.586  23.586  27.578  1.00 27.61           O
HETATM  264  O   HOH     4      24.598  19.907  37.713  1.00 33.98           O
HETATM  265  O   HOH     5      30.826  19.432  40.704  1.00 25.98           O
HETATM  266  O   HOH     6      16.726  17.213  41.032  1.00 30.65           O
HETATM  267  O   HOH     9      27.375  23.380  25.609  1.00 25.50           O
HETATM  268  O   HOH    11      24.421  23.879  32.911  1.00 33.11           O
HETATM  269  O   HOH    14      22.741  17.594  22.815  1.00 25.10           O
HETATM  270  O   HOH    18      29.885  25.101  35.288  1.00 44.79           O
HETATM  271  O   HOH    22      27.367  20.489  38.261  1.00 39.77           O
HETATM  272  O   HOH    26      20.578  26.000  50.412  1.00 41.51           O
HETATM  273  O   HOH    27      22.836  23.748  25.121  1.00 39.96           O
HETATM  274  O   HOH    29      13.819  12.315  25.864  1.00 37.09           O
HETATM  275  O   HOH    35      17.805  27.198  25.358  1.00 45.50           O
HETATM  276  O   HOH    37      33.353  19.907  46.297  1.00 52.88           O
HETATM  277  O   HOH    38      19.542  18.349  42.699  1.00 70.96           O
HETATM  278  O   HOH    40      19.479  20.986  17.061  1.00 47.48           O
HETATM  279  O   HOH    42      18.640  26.687  48.506  1.00 42.18           O
HETATM  280  O   HOH    43      23.874  24.715  29.142  1.00 52.80           O
HETATM  281  O   HOH    44      28.777  25.529  32.466  1.00 64.12           O
HETATM  282  O   HOH    45      19.754  15.805  40.466  1.00 32.06           O
CONECT   37   36  157
CONECT  133  132
CONECT  150  149  189
CONECT  157   37  156
CONECT  189  150  188
END