*HEADER    TRANSCRIPTION/DNA                       05-FEB-17   5N14              
*TITLE     NMR STRUCTURE CALCULATION OF A COMPOSITE CYS2HIS2 TYPE ZINC FINGER    
*TITLE    2 PROTEIN CONTAINING A NON-PEPTIDE (OR OLIGOUREA) HELICAL DOMAIN       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PROTEIN (CHIMERIC OLIGOUREA-PEPTIDE ZINC FINGER);          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606                                                 
*KEYWDS    ZINC FINGER, CHIMERIC, OULIGOUREAS, TRANSCRIPTION-DNA COMPLEX         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    V.K.VENKATESHAIAH M,G.SALGADO                                         
*REVDAT   2   15-NOV-23 5N14    1
*REVDAT   1   12-APR-17 5N14    0                                                  
# Restraints file 1: AMBER_pdb4restraints_conversion.pdb
ATOM      1  N   PRO    62       1.355  10.323   8.630  0.00  0.00
ATOM      2  H2  PRO    62       2.307  10.797   8.490  0.00  0.00
ATOM      3  H3  PRO    62       1.149   9.883   9.638  0.00  0.00
ATOM      4  CD  PRO    62       0.294  11.417   8.201  0.00  0.00
ATOM      5  HD2 PRO    62       0.787  12.369   8.043  0.00  0.00
ATOM      6  HD3 PRO    62      -0.428  11.642   8.938  0.00  0.00
ATOM      7  CG  PRO    62      -0.452  11.018   6.944  0.00  0.00
ATOM      8  HG2 PRO    62       0.045  11.438   6.041  0.00  0.00
ATOM      9  HG3 PRO    62      -1.520  11.255   6.905  0.00  0.00
ATOM     10  CB  PRO    62      -0.178   9.461   6.961  0.00  0.00
ATOM     11  HB2 PRO    62      -0.333   8.945   5.959  0.00  0.00
ATOM     12  HB3 PRO    62      -1.035   9.143   7.636  0.00  0.00
ATOM     13  CA  PRO    62       1.142   9.232   7.654  0.00  0.00
ATOM     14  HA  PRO    62       1.133   8.328   8.205  0.00  0.00
ATOM     15  C   PRO    62       2.292   9.083   6.729  0.00  0.00
ATOM     16  O   PRO    62       3.379   9.463   7.074  0.00  0.00
ATOM     17  N   PHE    63       2.068   8.371   5.663  0.00  0.00
ATOM     18  H   PHE    63       1.094   8.207   5.465  0.00  0.00
ATOM     19  CA  PHE    63       3.022   7.928   4.601  0.00  0.00
ATOM     20  HA  PHE    63       4.008   8.418   4.588  0.00  0.00
ATOM     21  CB  PHE    63       3.445   6.379   4.768  0.00  0.00
ATOM     22  HB2 PHE    63       3.065   6.159   5.810  0.00  0.00
ATOM     23  HB3 PHE    63       2.767   5.724   4.189  0.00  0.00
ATOM     24  CG  PHE    63       4.905   6.007   4.542  0.00  0.00
ATOM     25  CD1 PHE    63       5.922   6.421   5.460  0.00  0.00
ATOM     26  HD1 PHE    63       5.691   7.059   6.336  0.00  0.00
ATOM     27  CE1 PHE    63       7.231   5.923   5.324  0.00  0.00
ATOM     28  HE1 PHE    63       7.949   6.169   6.145  0.00  0.00
ATOM     29  CZ  PHE    63       7.436   4.907   4.370  0.00  0.00
ATOM     30  HZ  PHE    63       8.358   4.274   4.296  0.00  0.00
ATOM     31  CE2 PHE    63       6.479   4.559   3.367  0.00  0.00
ATOM     32  HE2 PHE    63       6.715   3.734   2.678  0.00  0.00
ATOM     33  CD2 PHE    63       5.181   5.091   3.471  0.00  0.00
ATOM     34  HD2 PHE    63       4.407   4.820   2.795  0.00  0.00
ATOM     35  C   PHE    63       2.483   8.146   3.183  0.00  0.00
ATOM     36  O   PHE    63       1.373   8.488   2.924  0.00  0.00
ATOM     37  N   ALA    64       3.351   7.856   2.089  0.00  0.00
ATOM     38  H   ALA    64       4.226   7.453   2.246  0.00  0.00
ATOM     39  CA  ALA    64       2.836   7.822   0.676  0.00  0.00
ATOM     40  HA  ALA    64       1.870   7.604   0.802  0.00  0.00
ATOM     41  CB  ALA    64       3.015   9.231   0.072  0.00  0.00
ATOM     42  HB1 ALA    64       4.079   9.510  -0.045  0.00  0.00
ATOM     43  HB2 ALA    64       2.456   9.286  -0.896  0.00  0.00
ATOM     44  HB3 ALA    64       2.490   9.949   0.747  0.00  0.00
ATOM     45  C   ALA    64       3.425   6.682  -0.206  0.00  0.00
ATOM     46  O   ALA    64       4.605   6.305  -0.182  0.00  0.00
ATOM     47  N   CYS    65       2.458   6.081  -0.951  0.00  0.00
ATOM     48  H   CYS    65       1.479   6.390  -0.898  0.00  0.00
ATOM     49  CA  CYS    65       2.698   4.922  -1.841  0.00  0.00
ATOM     50  HA  CYS    65       2.882   4.001  -1.267  0.00  0.00
ATOM     51  CB  CYS    65       1.313   4.597  -2.498  0.00  0.00
ATOM     52  HB3 CYS    65       1.545   3.888  -3.304  0.00  0.00
ATOM     53  HB2 CYS    65       0.963   5.521  -3.076  0.00  0.00
ATOM     54  SG  CYS    65       0.066   3.947  -1.373  0.00  0.00
ATOM     55  C   CYS    65       3.679   5.231  -3.011  0.00  0.00
ATOM     56  O   CYS    65       3.378   6.142  -3.716  0.00  0.00
ATOM     57  N   ASP    66       4.601   4.305  -3.411  0.00  0.00
ATOM     58  H   ASP    66       4.788   3.671  -2.723  0.00  0.00
ATOM     59  CA  ASP    66       5.383   4.477  -4.664  0.00  0.00
ATOM     60  HA  ASP    66       5.778   5.408  -4.643  0.00  0.00
ATOM     61  CB  ASP    66       6.667   3.691  -4.345  0.00  0.00
ATOM     62  HB2 ASP    66       7.076   3.906  -3.339  0.00  0.00
ATOM     63  HB3 ASP    66       6.397   2.636  -4.344  0.00  0.00
ATOM     64  CG  ASP    66       7.644   4.005  -5.491  0.00  0.00
ATOM     65  OD1 ASP    66       8.241   3.016  -5.931  0.00  0.00
ATOM     66  OD2 ASP    66       8.141   5.133  -5.501  0.00  0.00
ATOM     67  C   ASP    66       4.713   4.141  -6.058  0.00  0.00
ATOM     68  O   ASP    66       5.194   4.545  -7.098  0.00  0.00
ATOM     69  N   ILE    67       3.597   3.442  -5.980  0.00  0.00
ATOM     70  H   ILE    67       3.295   3.211  -5.054  0.00  0.00
ATOM     71  CA  ILE    67       2.791   2.842  -7.095  0.00  0.00
ATOM     72  HA  ILE    67       3.508   3.083  -7.884  0.00  0.00
ATOM     73  CB  ILE    67       2.593   1.302  -7.027  0.00  0.00
ATOM     74  HB  ILE    67       2.301   1.116  -6.039  0.00  0.00
ATOM     75  CG2 ILE    67       1.359   0.703  -7.750  0.00  0.00
ATOM     76 1HG2 ILE    67       1.252   0.830  -8.849  0.00  0.00
ATOM     77 2HG2 ILE    67       1.508  -0.445  -7.640  0.00  0.00
ATOM     78 3HG2 ILE    67       0.291   0.904  -7.416  0.00  0.00
ATOM     79  CG1 ILE    67       3.918   0.469  -7.305  0.00  0.00
ATOM     80 2HG1 ILE    67       4.801   0.969  -6.800  0.00  0.00
ATOM     81 3HG1 ILE    67       3.873  -0.541  -6.905  0.00  0.00
ATOM     82  CD1 ILE    67       4.246   0.343  -8.728  0.00  0.00
ATOM     83 1HD1 ILE    67       4.714   1.236  -9.187  0.00  0.00
ATOM     84 2HD1 ILE    67       5.138  -0.333  -8.728  0.00  0.00
ATOM     85 3HD1 ILE    67       3.382  -0.130  -9.163  0.00  0.00
ATOM     86  C   ILE    67       1.434   3.569  -7.337  0.00  0.00
ATOM     87  O   ILE    67       0.922   3.759  -8.493  0.00  0.00
ATOM     88  N   CYS    68       0.843   4.270  -6.305  0.00  0.00
ATOM     89  H   CYS    68       1.038   3.969  -5.359  0.00  0.00
ATOM     90  CA  CYS    68      -0.254   5.300  -6.391  0.00  0.00
ATOM     91  HA  CYS    68      -0.858   5.225  -7.343  0.00  0.00
ATOM     92  CB  CYS    68      -1.374   5.086  -5.378  0.00  0.00
ATOM     93  HB3 CYS    68      -2.218   5.791  -5.634  0.00  0.00
ATOM     94  HB2 CYS    68      -1.126   5.320  -4.331  0.00  0.00
ATOM     95  SG  CYS    68      -2.272   3.441  -5.274  0.00  0.00
ATOM     96  C   CYS    68       0.227   6.760  -6.496  0.00  0.00
ATOM     97  O   CYS    68      -0.245   7.630  -7.197  0.00  0.00
ATOM     98  N   GLY    69       1.278   7.115  -5.766  0.00  0.00
ATOM     99  H   GLY    69       1.636   6.351  -5.266  0.00  0.00
ATOM    100  CA  GLY    69       1.592   8.519  -5.355  0.00  0.00
ATOM    101  HA2 GLY    69       2.710   8.578  -5.135  0.00  0.00
ATOM    102  HA3 GLY    69       1.345   9.170  -6.161  0.00  0.00
ATOM    103  C   GLY    69       0.794   8.996  -4.115  0.00  0.00
ATOM    104  O   GLY    69       1.074   9.961  -3.468  0.00  0.00
ATOM    105  N   ARG    70      -0.434   8.395  -3.969  0.00  0.00
ATOM    106  H   ARG    70      -0.731   7.828  -4.697  0.00  0.00
ATOM    107  CA  ARG    70      -1.478   8.838  -3.005  0.00  0.00
ATOM    108  HA  ARG    70      -1.426   9.920  -3.029  0.00  0.00
ATOM    109  CB  ARG    70      -2.880   8.305  -3.106  0.00  0.00
ATOM    110  HB2 ARG    70      -2.978   7.231  -2.877  0.00  0.00
ATOM    111  HB3 ARG    70      -3.415   8.673  -2.293  0.00  0.00
ATOM    112  CG  ARG    70      -3.704   8.634  -4.367  0.00  0.00
ATOM    113  HG2 ARG    70      -4.274   7.783  -4.754  0.00  0.00
ATOM    114  HG3 ARG    70      -4.513   9.254  -3.957  0.00  0.00
ATOM    115  CD  ARG    70      -2.942   9.381  -5.516  0.00  0.00
ATOM    116  HD2 ARG    70      -2.589  10.267  -5.053  0.00  0.00
ATOM    117  HD3 ARG    70      -2.131   8.908  -5.922  0.00  0.00
ATOM    118  NE  ARG    70      -3.981   9.494  -6.554  0.00  0.00
ATOM    119  HE  ARG    70      -4.848   9.827  -6.147  0.00  0.00
ATOM    120  CZ  ARG    70      -4.055   8.525  -7.483  0.00  0.00
ATOM    121  NH1 ARG    70      -4.639   7.370  -7.317  0.00  0.00
ATOM    122 1HH1 ARG    70      -5.366   7.086  -6.630  0.00  0.00
ATOM    123 2HH1 ARG    70      -4.348   6.600  -7.923  0.00  0.00
ATOM    124  NH2 ARG    70      -3.260   8.532  -8.572  0.00  0.00
ATOM    125 1HH2 ARG    70      -2.282   8.901  -8.467  0.00  0.00
ATOM    126 2HH2 ARG    70      -3.367   9.107  -9.419  0.00  0.00
ATOM    127  C   ARG    70      -0.995   8.485  -1.568  0.00  0.00
ATOM    128  O   ARG    70      -0.122   7.670  -1.331  0.00  0.00
ATOM    129  N   LYS    71      -1.503   9.243  -0.538  0.00  0.00
ATOM    130  H   LYS    71      -2.146   9.997  -0.785  0.00  0.00
ATOM    131  CA  LYS    71      -1.156   8.979   0.875  0.00  0.00
ATOM    132  HA  LYS    71      -0.052   9.010   0.880  0.00  0.00
ATOM    133  CB  LYS    71      -1.597  10.221   1.810  0.00  0.00
ATOM    134  HB2 LYS    71      -2.648  10.646   1.635  0.00  0.00
ATOM    135  HB3 LYS    71      -1.610   9.806   2.805  0.00  0.00
ATOM    136  CG  LYS    71      -0.536  11.277   1.745  0.00  0.00
ATOM    137  HG2 LYS    71       0.402  10.752   1.786  0.00  0.00
ATOM    138  HG3 LYS    71      -0.581  11.687   0.751  0.00  0.00
ATOM    139  CD  LYS    71      -0.679  12.427   2.753  0.00  0.00
ATOM    140  HD2 LYS    71      -1.816  12.676   2.778  0.00  0.00
ATOM    141  HD3 LYS    71      -0.483  11.913   3.669  0.00  0.00
ATOM    142  CE  LYS    71       0.220  13.620   2.495  0.00  0.00
ATOM    143  HE2 LYS    71       1.195  13.604   3.064  0.00  0.00
ATOM    144  HE3 LYS    71       0.352  13.725   1.396  0.00  0.00
ATOM    145  NZ  LYS    71      -0.453  14.854   2.987  0.00  0.00
ATOM    146  HZ1 LYS    71      -1.510  14.908   2.707  0.00  0.00
ATOM    147  HZ2 LYS    71      -0.387  15.117   4.030  0.00  0.00
ATOM    148  HZ3 LYS    71      -0.139  15.835   2.651  0.00  0.00
ATOM    149  C   LYS    71      -1.816   7.751   1.412  0.00  0.00
ATOM    150  O   LYS    71      -2.956   7.418   1.060  0.00  0.00
ATOM    151  N   PHE    72      -1.277   7.215   2.490  0.00  0.00
ATOM    152  H   PHE    72      -0.369   7.529   2.850  0.00  0.00
ATOM    153  CA  PHE    72      -2.093   6.306   3.349  0.00  0.00
ATOM    154  HA  PHE    72      -3.063   6.773   3.378  0.00  0.00
ATOM    155  CB  PHE    72      -2.179   4.874   2.899  0.00  0.00
ATOM    156  HB2 PHE    72      -1.986   4.750   1.872  0.00  0.00
ATOM    157  HB3 PHE    72      -1.333   4.450   3.361  0.00  0.00
ATOM    158  CG  PHE    72      -3.437   4.169   3.175  0.00  0.00
ATOM    159  CD1 PHE    72      -3.375   2.907   3.849  0.00  0.00
ATOM    160  HD1 PHE    72      -2.479   2.480   4.160  0.00  0.00
ATOM    161  CE1 PHE    72      -4.591   2.231   4.111  0.00  0.00
ATOM    162  HE1 PHE    72      -4.567   1.235   4.579  0.00  0.00
ATOM    163  CZ  PHE    72      -5.812   2.768   3.707  0.00  0.00
ATOM    164  HZ  PHE    72      -6.767   2.187   3.774  0.00  0.00
ATOM    165  CE2 PHE    72      -5.848   3.983   2.972  0.00  0.00
ATOM    166  HE2 PHE    72      -6.776   4.400   2.652  0.00  0.00
ATOM    167  CD2 PHE    72      -4.625   4.625   2.701  0.00  0.00
ATOM    168  HD2 PHE    72      -4.622   5.525   2.063  0.00  0.00
ATOM    169  C   PHE    72      -1.514   6.323   4.734  0.00  0.00
ATOM    170  O   PHE    72      -0.337   6.551   4.827  0.00  0.00
ATOM    171  N   ALA    73      -2.243   5.989   5.828  0.00  0.00
ATOM    172  H   ALA    73      -3.200   5.785   5.611  0.00  0.00
ATOM    173  CA  ALA    73      -1.928   6.133   7.269  0.00  0.00
ATOM    174  HA  ALA    73      -1.634   7.072   7.434  0.00  0.00
ATOM    175  CB  ALA    73      -3.181   5.733   8.206  0.00  0.00
ATOM    176  HB1 ALA    73      -4.091   6.092   7.880  0.00  0.00
ATOM    177  HB2 ALA    73      -3.199   4.617   8.209  0.00  0.00
ATOM    178  HB3 ALA    73      -2.986   6.150   9.143  0.00  0.00
ATOM    179  C   ALA    73      -0.733   5.289   7.705  0.00  0.00
ATOM    180  O   ALA    73       0.362   5.742   7.990  0.00  0.00
ATOM    181  N   ARG    74      -0.956   4.063   8.090  0.00  0.00
ATOM    182  H   ARG    74      -1.847   3.632   7.888  0.00  0.00
ATOM    183  CA  ARG    74       0.113   3.179   8.742  0.00  0.00
ATOM    184  HA  ARG    74       1.181   3.486   8.467  0.00  0.00
ATOM    185  CB  ARG    74       0.272   3.435  10.258  0.00  0.00
ATOM    186  HB2 ARG    74      -0.067   4.439  10.489  0.00  0.00
ATOM    187  HB3 ARG    74      -0.477   2.934  10.886  0.00  0.00
ATOM    188  CG  ARG    74       1.632   3.242  10.937  0.00  0.00
ATOM    189  HG2 ARG    74       2.412   3.897  10.453  0.00  0.00
ATOM    190  HG3 ARG    74       1.552   3.658  11.920  0.00  0.00
ATOM    191  CD  ARG    74       2.034   1.736  10.912  0.00  0.00
ATOM    192  HD2 ARG    74       1.235   1.135  11.152  0.00  0.00
ATOM    193  HD3 ARG    74       2.297   1.451   9.932  0.00  0.00
ATOM    194  NE  ARG    74       3.209   1.486  11.895  0.00  0.00
ATOM    195  HE  ARG    74       3.853   2.214  11.973  0.00  0.00
ATOM    196  CZ  ARG    74       3.595   0.279  12.376  0.00  0.00
ATOM    197  NH1 ARG    74       2.786  -0.769  12.414  0.00  0.00
ATOM    198 1HH1 ARG    74       1.898  -0.570  12.122  0.00  0.00
ATOM    199 2HH1 ARG    74       2.652  -1.359  13.264  0.00  0.00
ATOM    200  NH2 ARG    74       4.800   0.148  12.813  0.00  0.00
ATOM    201 1HH2 ARG    74       5.706  -0.228  12.267  0.00  0.00
ATOM    202 2HH2 ARG    74       4.913   0.083  13.864  0.00  0.00
ATOM    203  C   ARG    74      -0.128   1.745   8.432  0.00  0.00
ATOM    204  O   ARG    74       0.418   1.201   7.503  0.00  0.00
ATOM    205  N   SER    75      -1.343   1.303   9.004  0.00  0.00
ATOM    206  H   SER    75      -1.774   1.916   9.628  0.00  0.00
ATOM    207  CA  SER    75      -2.181   0.220   8.383  0.00  0.00
ATOM    208  HA  SER    75      -3.044  -0.051   9.030  0.00  0.00
ATOM    209  CB  SER    75      -3.022   0.861   7.227  0.00  0.00
ATOM    210  HB2 SER    75      -2.436   0.784   6.272  0.00  0.00
ATOM    211  HB3 SER    75      -3.929   0.222   7.183  0.00  0.00
ATOM    212  OG  SER    75      -3.439   2.199   7.561  0.00  0.00
ATOM    213  HG  SER    75      -4.232   2.484   7.116  0.00  0.00
ATOM    214  C   SER    75      -1.513  -1.063   8.064  0.00  0.00
ATOM    215  O   SER    75      -1.713  -1.661   7.004  0.00  0.00
ATOM    216  N   OUD    76      -0.732  -1.614   8.994  0.00  0.00
ATOM    217  H   OUD    76      -0.704  -1.220   9.860  0.00  0.00
ATOM    218  CA  OUD    76      -0.281  -3.044   8.985  0.00  0.00
ATOM    219  HA  OUD    76      -0.026  -3.261   7.923  0.00  0.00
ATOM    220  CB  OUD    76       0.912  -3.260   9.950  0.00  0.00
ATOM    221  HB2 OUD    76       0.845  -2.432  10.706  0.00  0.00
ATOM    222  HB3 OUD    76       1.855  -3.231   9.364  0.00  0.00
ATOM    223  CG  OUD    76       0.966  -4.547  10.597  0.00  0.00
ATOM    224  OD1 OUD    76       1.312  -5.575  10.036  0.00  0.00
ATOM    225  OD2 OUD    76       0.939  -4.466  11.848  0.00  0.00
ATOM    226  CM  OUD    76      -1.508  -4.012   9.329  0.00  0.00
ATOM    227  HM2 OUD    76      -1.666  -3.825  10.427  0.00  0.00
ATOM    228  HM3 OUD    76      -1.170  -5.083   9.309  0.00  0.00
ATOM    229  N2  OUD    76      -2.931  -3.921   8.764  0.00  0.00
ATOM    230  HN2 OUD    76      -3.630  -3.754   9.447  0.00  0.00
ATOM    231  C   OUD    76      -3.363  -4.199   7.462  0.00  0.00
ATOM    232  O   OUD    76      -2.698  -4.940   6.743  0.00  0.00
ATOM    233  N   OUE    77      -4.610  -3.928   7.079  0.00  0.00
ATOM    234  H   OUE    77      -5.166  -3.339   7.743  0.00  0.00
ATOM    235  CA  OUE    77      -5.175  -3.729   5.697  0.00  0.00
ATOM    236  HA  OUE    77      -5.057  -4.557   4.984  0.00  0.00
ATOM    237  CB  OUE    77      -6.758  -3.704   5.868  0.00  0.00
ATOM    238  HB2 OUE    77      -7.133  -2.820   6.336  0.00  0.00
ATOM    239  HB3 OUE    77      -6.996  -4.476   6.554  0.00  0.00
ATOM    240  CG  OUE    77      -7.498  -3.967   4.474  0.00  0.00
ATOM    241  HG2 OUE    77      -7.164  -3.222   3.784  0.00  0.00
ATOM    242  HG3 OUE    77      -8.552  -3.684   4.736  0.00  0.00
ATOM    243  CD  OUE    77      -7.337  -5.386   3.876  0.00  0.00
ATOM    244  OE1 OUE    77      -7.195  -5.626   2.641  0.00  0.00
ATOM    245  OE2 OUE    77      -7.492  -6.340   4.578  0.00  0.00
ATOM    246  CM  OUE    77      -4.729  -2.384   5.002  0.00  0.00
ATOM    247  HM2 OUE    77      -5.178  -1.462   5.387  0.00  0.00
ATOM    248  HM3 OUE    77      -5.029  -2.493   3.921  0.00  0.00
ATOM    249  N2  OUE    77      -3.364  -2.016   5.016  0.00  0.00
ATOM    250  HN2 OUE    77      -2.981  -1.975   5.953  0.00  0.00
ATOM    251  C   OUE    77      -2.535  -1.911   4.059  0.00  0.00
ATOM    252  O   OUE    77      -2.454  -2.745   3.200  0.00  0.00
ATOM    253  N   OUK    78      -1.594  -1.056   4.365  0.00  0.00
ATOM    254  H   OUK    78      -1.919  -0.471   5.124  0.00  0.00
ATOM    255  CA  OUK    78      -0.189  -1.189   4.162  0.00  0.00
ATOM    256  HA  OUK    78      -0.059  -1.508   3.149  0.00  0.00
ATOM    257  CB  OUK    78       0.605   0.194   4.329  0.00  0.00
ATOM    258  HB2 OUK    78       1.611  -0.101   4.192  0.00  0.00
ATOM    259  HB3 OUK    78       0.533   0.755   5.247  0.00  0.00
ATOM    260  CG  OUK    78       0.303   1.158   3.160  0.00  0.00
ATOM    261  HG2 OUK    78      -0.828   1.318   3.083  0.00  0.00
ATOM    262  HG3 OUK    78       0.690   0.671   2.268  0.00  0.00
ATOM    263  CD  OUK    78       0.999   2.423   3.306  0.00  0.00
ATOM    264  HD2 OUK    78       2.073   2.181   3.359  0.00  0.00
ATOM    265  HD3 OUK    78       0.825   2.741   4.298  0.00  0.00
ATOM    266  CE  OUK    78       0.802   3.514   2.162  0.00  0.00
ATOM    267  HE2 OUK    78       0.856   4.533   2.549  0.00  0.00
ATOM    268  HE3 OUK    78      -0.143   3.322   1.608  0.00  0.00
ATOM    269  NZ  OUK    78       1.856   3.535   1.161  0.00  0.00
ATOM    270  HZ1 OUK    78       1.555   3.800   0.262  0.00  0.00
ATOM    271  HZ2 OUK    78       2.270   2.594   0.979  0.00  0.00
ATOM    272  HZ3 OUK    78       2.631   4.158   1.289  0.00  0.00
ATOM    273  CM  OUK    78       0.372  -2.401   5.053  0.00  0.00
ATOM    274  HM2 OUK    78       0.518  -1.963   5.997  0.00  0.00
ATOM    275  HM3 OUK    78       1.382  -2.749   4.727  0.00  0.00
ATOM    276  N2  OUK    78      -0.487  -3.532   5.231  0.00  0.00
ATOM    277  HN2 OUK    78      -1.326  -3.402   5.832  0.00  0.00
ATOM    278  C   OUK    78      -0.430  -4.596   4.356  0.00  0.00
ATOM    279  O   OUK    78       0.092  -4.477   3.238  0.00  0.00
ATOM    280  N   OUR    79      -1.124  -5.716   4.721  0.00  0.00
ATOM    281  H   OUR    79      -1.619  -5.650   5.650  0.00  0.00
ATOM    282  CA  OUR    79      -1.479  -6.922   3.956  0.00  0.00
ATOM    283  HA  OUR    79      -0.768  -7.129   3.198  0.00  0.00
ATOM    284  CB  OUR    79      -1.513  -8.236   4.851  0.00  0.00
ATOM    285  HB2 OUR    79      -1.685  -9.134   4.103  0.00  0.00
ATOM    286  HB3 OUR    79      -2.324  -8.307   5.509  0.00  0.00
ATOM    287  CG  OUR    79      -0.160  -8.439   5.537  0.00  0.00
ATOM    288  HG2 OUR    79      -0.059  -7.572   6.159  0.00  0.00
ATOM    289  HG3 OUR    79       0.708  -8.369   4.776  0.00  0.00
ATOM    290  CD  OUR    79       0.061  -9.765   6.323  0.00  0.00
ATOM    291  HD2 OUR    79      -0.114 -10.596   5.534  0.00  0.00
ATOM    292  HD3 OUR    79      -0.734  -9.863   7.116  0.00  0.00
ATOM    293  NE  OUR    79       1.515  -9.892   6.779  0.00  0.00
ATOM    294  HE  OUR    79       1.685 -10.909   6.738  0.00  0.00
ATOM    295  CZ  OUR    79       2.045  -9.352   7.938  0.00  0.00
ATOM    296  NH1 OUR    79       3.353  -9.162   8.142  0.00  0.00
ATOM    297 1HH1 OUR    79       3.871  -9.082   7.356  0.00  0.00
ATOM    298 2HH1 OUR    79       3.842  -9.785   8.727  0.00  0.00
ATOM    299  NH2 OUR    79       1.270  -9.160   9.023  0.00  0.00
ATOM    300 1HH2 OUR    79       0.457  -8.563   9.040  0.00  0.00
ATOM    301 2HH2 OUR    79       1.811  -9.004   9.864  0.00  0.00
ATOM    302  CM  OUR    79      -2.744  -6.628   3.165  0.00  0.00
ATOM    303  HM2 OUR    79      -3.626  -6.879   3.760  0.00  0.00
ATOM    304  HM3 OUR    79      -2.879  -7.428   2.447  0.00  0.00
ATOM    305  N2  OUR    79      -2.927  -5.285   2.530  0.00  0.00
ATOM    306  HN2 OUR    79      -2.947  -4.447   3.050  0.00  0.00
ATOM    307  C   OUR    79      -3.026  -5.085   1.211  0.00  0.00
ATOM    308  O   OUR    79      -2.621  -5.843   0.326  0.00  0.00
ATOM    309  N   OUH    80      -3.501  -3.874   0.969  0.00  0.00
ATOM    310  H   OUH    80      -3.688  -3.261   1.794  0.00  0.00
ATOM    311  CA  OUH    80      -3.229  -3.097  -0.197  0.00  0.00
ATOM    312  HA  OUH    80      -3.224  -3.677  -1.101  0.00  0.00
ATOM    313  CB  OUH    80      -4.441  -2.001  -0.436  0.00  0.00
ATOM    314  HB2 OUH    80      -5.043  -2.059   0.409  0.00  0.00
ATOM    315  HB3 OUH    80      -5.119  -2.333  -1.231  0.00  0.00
ATOM    316  CG  OUH    80      -4.007  -0.625  -0.759  0.00  0.00
ATOM    317  ND1 OUH    80      -4.056   0.443   0.269  0.00  0.00
ATOM    318  HD1 OUH    80      -4.210   0.458   1.301  0.00  0.00
ATOM    319  CD2 OUH    80      -3.419  -0.184  -1.991  0.00  0.00
ATOM    320  HD2 OUH    80      -3.359  -0.744  -2.945  0.00  0.00
ATOM    321  CE1 OUH    80      -3.570   1.454  -0.484  0.00  0.00
ATOM    322  HE1 OUH    80      -3.564   2.436  -0.103  0.00  0.00
ATOM    323  NE2 OUH    80      -3.065   1.136  -1.735  0.00  0.00
ATOM    324  CM  OUH    80      -1.779  -2.426  -0.017  0.00  0.00
ATOM    325  HM2 OUH    80      -1.835  -1.513   0.632  0.00  0.00
ATOM    326  HM3 OUH    80      -1.719  -1.944  -1.002  0.00  0.00
ATOM    327  N2  OUH    80      -0.735  -3.424   0.404  0.00  0.00
ATOM    328  HN2 OUH    80      -0.532  -3.432   1.399  0.00  0.00
ATOM    329  C   OUH    80       0.094  -4.079  -0.362  0.00  0.00
ATOM    330  O   OUH    80      -0.025  -4.035  -1.585  0.00  0.00
ATOM    331  N   OUK    81       1.013  -4.871   0.206  0.00  0.00
ATOM    332  H   OUK    81       1.197  -4.911   1.200  0.00  0.00
ATOM    333  CA  OUK    81       1.931  -5.790  -0.443  0.00  0.00
ATOM    334  HA  OUK    81       2.095  -5.358  -1.376  0.00  0.00
ATOM    335  CB  OUK    81       3.380  -6.101   0.182  0.00  0.00
ATOM    336  HB2 OUK    81       3.905  -6.919  -0.260  0.00  0.00
ATOM    337  HB3 OUK    81       3.349  -6.365   1.199  0.00  0.00
ATOM    338  CG  OUK    81       4.421  -4.882   0.061  0.00  0.00
ATOM    339  HG2 OUK    81       3.937  -4.026   0.377  0.00  0.00
ATOM    340  HG3 OUK    81       4.608  -4.749  -1.061  0.00  0.00
ATOM    341  CD  OUK    81       5.713  -5.093   0.795  0.00  0.00
ATOM    342  HD2 OUK    81       6.442  -5.803   0.368  0.00  0.00
ATOM    343  HD3 OUK    81       5.438  -5.453   1.747  0.00  0.00
ATOM    344  CE  OUK    81       6.501  -3.726   1.015  0.00  0.00
ATOM    345  HE2 OUK    81       7.143  -3.884   1.891  0.00  0.00
ATOM    346  HE3 OUK    81       5.867  -2.898   1.171  0.00  0.00
ATOM    347  NZ  OUK    81       7.343  -3.307  -0.190  0.00  0.00
ATOM    348  HZ1 OUK    81       7.788  -4.041  -0.650  0.00  0.00
ATOM    349  HZ2 OUK    81       8.041  -2.621   0.098  0.00  0.00
ATOM    350  HZ3 OUK    81       6.760  -2.917  -0.952  0.00  0.00
ATOM    351  CM  OUK    81       1.235  -7.126  -0.887  0.00  0.00
ATOM    352  HM2 OUK    81       1.343  -7.935  -0.116  0.00  0.00
ATOM    353  HM3 OUK    81       1.799  -7.525  -1.767  0.00  0.00
ATOM    354  N2  OUK    81      -0.175  -6.953  -1.208  0.00  0.00
ATOM    355  HN2 OUK    81      -0.671  -6.967  -0.292  0.00  0.00
ATOM    356  C   OUK    81      -0.763  -7.122  -2.436  0.00  0.00
ATOM    357  O   OUK    81       0.015  -7.082  -3.351  0.00  0.00
ATOM    358  N   OUI    82      -2.125  -7.013  -2.406  0.00  0.00
ATOM    359  H   OUI    82      -2.665  -7.029  -1.558  0.00  0.00
ATOM    360  CA  OUI    82      -2.960  -6.961  -3.623  0.00  0.00
ATOM    361  HA  OUI    82      -2.325  -7.465  -4.429  0.00  0.00
ATOM    362  CB  OUI    82      -4.209  -7.956  -3.532  0.00  0.00
ATOM    363  HB  OUI    82      -4.831  -7.767  -4.418  0.00  0.00
ATOM    364  CG1 OUI    82      -5.256  -7.597  -2.370  0.00  0.00
ATOM    365 2HG1 OUI    82      -5.473  -6.509  -2.335  0.00  0.00
ATOM    366 3HG1 OUI    82      -4.886  -7.969  -1.410  0.00  0.00
ATOM    367  CG2 OUI    82      -3.681  -9.456  -3.452  0.00  0.00
ATOM    368 1HG2 OUI    82      -2.703  -9.506  -2.908  0.00  0.00
ATOM    369 2HG2 OUI    82      -3.365  -9.697  -4.460  0.00  0.00
ATOM    370 3HG2 OUI    82      -4.374 -10.187  -3.104  0.00  0.00
ATOM    371  CD1 OUI    82      -6.583  -8.425  -2.692  0.00  0.00
ATOM    372 1HD1 OUI    82      -7.490  -7.988  -2.247  0.00  0.00
ATOM    373 2HD1 OUI    82      -6.416  -9.454  -2.252  0.00  0.00
ATOM    374 3HD1 OUI    82      -6.824  -8.653  -3.774  0.00  0.00
ATOM    375  CM  OUI    82      -3.278  -5.480  -4.050  0.00  0.00
ATOM    376  HM2 OUI    82      -4.140  -5.098  -3.419  0.00  0.00
ATOM    377  HM3 OUI    82      -3.668  -5.312  -5.060  0.00  0.00
ATOM    378  N2  OUI    82      -2.084  -4.581  -3.956  0.00  0.00
ATOM    379  HN2 OUI    82      -1.807  -4.339  -2.964  0.00  0.00
ATOM    380  C   OUI    82      -1.316  -4.203  -5.077  0.00  0.00
ATOM    381  O   OUI    82      -1.611  -4.561  -6.235  0.00  0.00
ATOM    382  N   OUH    83      -0.127  -3.653  -4.699  0.00  0.00
ATOM    383  H   OUH    83       0.232  -3.466  -3.728  0.00  0.00
ATOM    384  CA  OUH    83       0.911  -3.266  -5.698  0.00  0.00
ATOM    385  HA  OUH    83       0.485  -2.615  -6.450  0.00  0.00
ATOM    386  CB  OUH    83       1.962  -2.329  -4.927  0.00  0.00
ATOM    387  HB2 OUH    83       2.648  -2.171  -5.661  0.00  0.00
ATOM    388  HB3 OUH    83       2.517  -2.843  -4.193  0.00  0.00
ATOM    389  CG  OUH    83       1.421  -1.067  -4.201  0.00  0.00
ATOM    390  ND1 OUH    83       2.376  -0.361  -3.463  0.00  0.00
ATOM    391  HD1 OUH    83       3.270  -0.665  -3.104  0.00  0.00
ATOM    392  CD2 OUH    83       0.221  -0.325  -4.247  0.00  0.00
ATOM    393  HD2 OUH    83      -0.732  -0.614  -4.726  0.00  0.00
ATOM    394  CE1 OUH    83       1.573   0.665  -2.890  0.00  0.00
ATOM    395  HE1 OUH    83       1.982   1.410  -2.261  0.00  0.00
ATOM    396  NE2 OUH    83       0.301   0.697  -3.396  0.00  0.00
ATOM    397  CM  OUH    83       1.731  -4.368  -6.462  0.00  0.00
ATOM    398  HM2 OUH    83       2.715  -4.092  -6.839  0.00  0.00
ATOM    399  HM3 OUH    83       1.191  -4.632  -7.337  0.00  0.00
ATOM    400  N2  OUH    83       1.883  -5.706  -5.718  0.00  0.00
ATOM    401  HN2 OUH    83       1.485  -5.890  -4.840  0.00  0.00
ATOM    402  C   OUH    83       2.606  -6.727  -6.137  0.00  0.00
ATOM    403  O   OUH    83       3.333  -6.622  -7.129  0.00  0.00
ATOM    404  N   ARG    84       2.037  -7.885  -5.737  0.00  0.00
ATOM    405  H   ARG    84       1.371  -7.908  -4.965  0.00  0.00
ATOM    406  CA  ARG    84       2.705  -9.187  -6.098  0.00  0.00
ATOM    407  HA  ARG    84       3.771  -9.135  -6.166  0.00  0.00
ATOM    408  CB  ARG    84       2.535 -10.278  -4.937  0.00  0.00
ATOM    409  HB2 ARG    84       3.215  -9.974  -4.146  0.00  0.00
ATOM    410  HB3 ARG    84       1.557 -10.245  -4.470  0.00  0.00
ATOM    411  CG  ARG    84       2.844 -11.733  -5.357  0.00  0.00
ATOM    412  HG2 ARG    84       1.967 -12.007  -5.853  0.00  0.00
ATOM    413  HG3 ARG    84       3.845 -11.820  -5.951  0.00  0.00
ATOM    414  CD  ARG    84       3.047 -12.682  -4.157  0.00  0.00
ATOM    415  HD2 ARG    84       3.880 -12.250  -3.650  0.00  0.00
ATOM    416  HD3 ARG    84       2.177 -12.523  -3.434  0.00  0.00
ATOM    417  NE  ARG    84       3.249 -14.072  -4.492  0.00  0.00
ATOM    418  HE  ARG    84       2.668 -14.479  -5.145  0.00  0.00
ATOM    419  CZ  ARG    84       4.149 -14.801  -3.860  0.00  0.00
ATOM    420  NH1 ARG    84       5.083 -15.415  -4.584  0.00  0.00
ATOM    421 1HH1 ARG    84       5.170 -15.243  -5.565  0.00  0.00
ATOM    422 2HH1 ARG    84       5.292 -16.414  -4.473  0.00  0.00
ATOM    423  NH2 ARG    84       3.876 -15.150  -2.620  0.00  0.00
ATOM    424 1HH2 ARG    84       2.942 -14.775  -2.279  0.00  0.00
ATOM    425 2HH2 ARG    84       4.589 -14.921  -1.923  0.00  0.00
ATOM    426  C   ARG    84       2.197  -9.640  -7.423  0.00  0.00
ATOM    427  O   ARG    84       3.018 -10.010  -8.310  0.00  0.00
ATOM    428  N   LYS    85       0.921  -9.353  -7.684  0.00  0.00
ATOM    429  H   LYS    85       0.525  -9.021  -6.833  0.00  0.00
ATOM    430  CA  LYS    85       0.122  -9.066  -8.953  0.00  0.00
ATOM    431  HA  LYS    85       0.798  -9.233  -9.817  0.00  0.00
ATOM    432  CB  LYS    85      -1.031 -10.119  -9.079  0.00  0.00
ATOM    433  HB2 LYS    85      -0.499 -10.982  -9.470  0.00  0.00
ATOM    434  HB3 LYS    85      -1.413 -10.475  -8.098  0.00  0.00
ATOM    435  CG  LYS    85      -2.147  -9.793 -10.129  0.00  0.00
ATOM    436  HG2 LYS    85      -2.727  -9.004  -9.661  0.00  0.00
ATOM    437  HG3 LYS    85      -1.787  -9.209 -10.936  0.00  0.00
ATOM    438  CD  LYS    85      -2.997 -11.036 -10.511  0.00  0.00
ATOM    439  HD2 LYS    85      -2.315 -11.619 -11.115  0.00  0.00
ATOM    440  HD3 LYS    85      -3.264 -11.565  -9.588  0.00  0.00
ATOM    441  CE  LYS    85      -4.320 -10.660 -11.237  0.00  0.00
ATOM    442  HE2 LYS    85      -4.898 -11.579 -11.269  0.00  0.00
ATOM    443  HE3 LYS    85      -4.940  -9.845 -10.726  0.00  0.00
ATOM    444  NZ  LYS    85      -4.104 -10.319 -12.690  0.00  0.00
ATOM    445  HZ1 LYS    85      -3.571  -9.490 -12.856  0.00  0.00
ATOM    446  HZ2 LYS    85      -3.527 -11.017 -13.211  0.00  0.00
ATOM    447  HZ3 LYS    85      -5.040 -10.244 -13.183  0.00  0.00
ATOM    448  C   LYS    85      -0.377  -7.656  -8.973  0.00  0.00
ATOM    449  O   LYS    85      -0.785  -6.995  -8.036  0.00  0.00
ATOM    450  N   ASP    86      -0.473  -7.234 -10.238  0.00  0.00
ATOM    451  H   ASP    86      -0.026  -7.758 -10.965  0.00  0.00
ATOM    452  CA  ASP    86      -0.972  -5.974 -10.672  0.00  0.00
ATOM    453  HA  ASP    86      -1.821  -5.670  -9.971  0.00  0.00
ATOM    454  CB  ASP    86       0.109  -4.788 -10.541  0.00  0.00
ATOM    455  HB2 ASP    86       0.460  -4.685  -9.459  0.00  0.00
ATOM    456  HB3 ASP    86       1.010  -5.089 -11.200  0.00  0.00
ATOM    457  CG  ASP    86      -0.500  -3.412 -10.864  0.00  0.00
ATOM    458  OD1 ASP    86      -0.963  -2.755  -9.942  0.00  0.00
ATOM    459  OD2 ASP    86      -0.448  -2.889 -11.989  0.00  0.00
ATOM    460  C   ASP    86      -1.485  -5.822 -12.121  0.00  0.00
ATOM    461  O   ASP    86      -0.908  -6.403 -13.037  0.00  0.00
ATOM    462  OXT ASP    86      -2.547  -5.234 -12.350  0.00  0.00
TER
HETATM  463  ZN  ZN4    87      -1.393   2.086  -2.841  0.00  0.00
CONECT   54  463
CONECT   95  463
CONECT  323  463
CONECT  396  463
CONECT  463   95   54  323  396
END
# Restraints file 2: CL112_DYANA.all
#========================================================
# CL112: DYANA, Inter proton distances or NOE restraints
#========================================================
#
# strong 1.8 - 2.5 A°
# Medium 2.5 - 3.5 A°
# Weak   3.5 - 6.5 A°
#
 62  PRO  HA   63  PHE  HN   2.50  3.50
 62  PRO  QPB  62  PRO  HA   2.50  3.50
 62  PRO  QPD  62  PRO  HA   3.50  6.50
 62  PRO  QPG  62  PRO  HA   3.50  6.50
 64  ALA  HA   63  PHE  QD   4.50  6.50
 64  ALA  HA   64  ALA  HN   2.50  3.50
 64  ALA  HA   72  PHE  HN   2.50  4.50
 64  ALA  QB   64  ALA  HN   3.50  6.50
 64  ALA  QB   65  CYS  HN   3.50  6.50
 64  ALA  QB   72  PHE  HN   2.50  4.00
 65  CYS  HA   65  CYS  HN   2.50  3.50
 65  CYS  HA   66  ASP  HN   2.50  4.00
 65  CYS  HN   64  ALA  QB   3.50  6.50
 65  CYS  QPB  65  CYS  HA   1.80  2.50
 65  CYS  QPB  65  CYS  HA   2.50  3.50
 65  CYS  QPB  65  CYS  HN   2.50  3.50
 65  CYS  QPB  68  CYS  HA   3.50  6.50
 65  CYS  QPB  72  PHE  QD   4.50  6.50
 66  ASP  HA   66  ASP  HN   2.50  3.50
 66  ASP  HA   67  ILE  HN   3.50  6.50
 66  ASP  HA   69  GLY  HN   3.50  6.50
 66  ASP  QPB  66  ASP  HN   2.50  3.50
 66  ASP  QPB  67  ILE  HN   3.50  6.50
 66  OUD  HN   67  ILE  HN   2.50  3.50
 67  ILE  HA   67  ILE  HN   2.50  3.50
 67  ILE  HA   68  CYS  HN   3.50  6.50
 67  ILE  HB   67  ILE  HN   2.50  3.50
 67  ILE  HB   68  CYS  HN   2.50  3.50
 67  ILE  HB   69  GLY  HN   4.50  6.50
 67  ILE  HB   83  OUH  HND  2.50  4.50
 67  ILE  HN   68  CYS  HN   2.50  3.50
 67  ILE  HN   69  GLY  HN   3.50  6.50
 67  ILE  QD1  83  OUH  HND  5.50  6.50
 67  ILE  QG   67  ILE  HN   2.50  6.50
 67  ILE  QG   68  CYS  HN   2.50  3.50
 67  ILE  QG   83  OUH  HND  5.50  6.50
 67  ILE  QPG  67  ILE  HN   3.50  5.50
 68  CYS  HA   68  CYS  HN   2.50  3.50
 68  CYS  HA   69  GLY  HN   3.50  6.50
 68  CYS  HA   70  ARG  HN   2.50  3.50
 68  CYS  HN   69  GLY  HN   2.50  3.50
 68  CYS  HN   70  ARG  HN   3.50  6.50
 68  CYS  QPB  68  CYS  HA   1.80  2.50
 68  CYS  QPB  68  CYS  HA   2.50  3.50
 68  CYS  QPB  68  CYS  HN   2.50  3.50
 68  CYS  QPB  68  CYS  HN   2.50  6.50
 68  CYS  QPB  69  GLY  HN   3.50  6.50
 68  CYS  QPB  70  ARG  HN   2.50  3.50
 69  GLY  QPA  68  CYS  HN   3.50  6.50
 69  GLY  QPA  69  GLY  HN   2.50  3.50
 69  GLY  QPA  70  ARG  HN   2.50  4.00
 70  ARG  HA   70  ARG  HN   2.50  3.50
 70  ARG  QPB  70  ARG  HN   2.50  3.50
 70  ARG  QPG  70  ARG  HN   3.50  6.50
 71  LYS  HA   71  LYS  HN   2.50  3.50
 71  LYS  QPB  71  LYS  HN   2.50  3.50
 71  LYS  QPG  71  LYS  HN   2.50  3.50
 72  PHE  HA   72  PHE  HN   2.50  3.50
 72  PHE  HA   72  PHE  QD   2.50  6.50
 72  PHE  HA   72  PHE  QE   3.50  6.50
 72  PHE  HA   72  PHE  QE   3.50  6.50
 72  PHE  QPB  72  PHE  HN   2.50  3.50
 72  PHE  QPB  72  PHE  QD   2.50  3.50
 72  PHE  QPB  72  PHE  QE   3.50  6.50
 72  PHE  QPB  72  PHE  QE   3.50  6.50
 72  PHE  QPB  75  SER  HN   4.50  6.50
 73  ALA  HA   73  ALA  HN   2.50  3.50
 73  ALA  HN   74  ARG  HN   2.50  3.50
 73  ALA  QB   73  ALA  HN   2.50  6.50
 74  ARG  HA   74  ARG  HN   2.50  3.50
 74  ARG  QPB  74  ARG  HN   2.50  4.50
 74  ARG  QPG  74  ARG  HN   3.50  6.50
 75  SER  HA   75  SER  HN   2.50  3.50
 75  SER  HA   76  OUD  HN   2.50  4.00
 75  SER  HA   77  OUE  HN2  2.50  3.50
 75  SER  HA   77  OUE  HN   3.50  6.50
 75  SER  QPB  75  SER  HN   2.50  3.50
 75  SER  QPB  76  OUD  HN   2.50  4.00
 76  OUD  HA   76  OUD  HN2  3.50  6.50
 76  OUD  HA   76  OUD  HN   2.50  3.50
 76  OUD  HA   78  OUK  HN2  2.50  3.50
 76  OUD  HA   78  OUK  HN   3.50  6.50
 76  OUD  HN   75  SER  HN   2.50  3.50
 76  OUD  QPA  76  OUD  HN2  2.50  3.50
 76  OUD  QPA  76  OUD  HN   2.50  3.50
 76  OUD  QPA  78  OUK  HN2  3.50  6.50
 76  OUD  QPB  76  OUD  HN2  3.50  6.50
 76  OUD  QPB  76  OUD  HN   2.50  3.50
 77  OUE  HA   77  OUE  HN2  3.50  6.50
 77  OUE  HA   77  OUE  HN   2.50  3.50
 77  OUE  HA   79  OUR  HN2  2.50  3.50
 77  OUE  HA   79  OUR  HN   3.50  6.50
 77  OUE  HN   76  OUD  HN2  2.50  3.50
 77  OUE  QPA  77  OUE  HN2  2.50  3.50
 77  OUE  QPA  77  OUE  HN   2.50  3.50
 77  OUE  QPA  79  OUR  HN2  3.50  6.50
 77  OUE  QPB  77  OUE  HN2  3.50  6.50
 77  OUE  QPB  77  OUE  HN   2.50  3.50
 77  OUE  QPG  77  OUE  HN2  3.50  6.50
 77  OUE  QPG  77  OUE  HN   2.50  4.50
 78  OUK  HA   78  OUK  HN2  3.50  6.50
 78  OUK  HA   78  OUK  HN   2.50  3.50
 78  OUK  HA   80  OUH  HN2  2.50  3.50
 78  OUK  HA   80  OUH  HN   3.50  6.50
 78  OUK  HN   77  OUK  HN2  2.50  3.50
 78  OUK  QPA  78  OUK  HN2  2.50  3.50
 78  OUK  QPA  78  OUK  HN   2.50  3.50
 78  OUK  QPA  80  OUH  HN2  3.50  6.50
 78  OUK  QPB  78  OUK  HN2  3.50  6.50
 78  OUK  QPB  78  OUK  HN   2.50  3.50
 78  OUK  QPG  78  OUK  HN2  3.50  6.50
 78  OUK  QPG  78  OUK  HN   2.50  4.50
 79  OUR  HA   79  OUR  HN2  3.50  6.50
 79  OUR  HA   79  OUR  HN   2.50  3.50
 79  OUR  HA   81  OUK  HN2  2.50  3.50
 79  OUR  HA   81  OUK  HN   3.50  6.50
 79  OUR  HN   78  OUK  HN2  2.50  6.50
 79  OUR  QPA  79  OUR  HN2  2.50  3.50
 79  OUR  QPA  79  OUR  HN   2.50  3.50
 79  OUR  QPA  81  OUK  HN2  3.50  6.50
 79  OUR  QPB  79  OUR  HN2  3.50  6.50
 79  OUR  QPB  79  OUR  HN   2.50  3.50
 79  OUR  QPG  79  OUR  HN2  3.50  6.50
 79  OUR  QPG  79  OUR  HN   2.50  3.50
 80  OUH  HA   80  OUH  HN2  3.50  6.50
 80  OUH  HA   80  OUH  HN   2.50  3.50
 80  OUH  HA   82  OUI  HN2  2.50  3.50
 80  OUH  HA   82  OUI  HN   3.50  6.50
 80  OUH  HN   79  OUR  HN2  2.50  4.50
 80  OUH  QPA  80  OUH  HN2  2.50  3.50
 80  OUH  QPA  80  OUH  HN   2.50  3.50
 80  OUH  QPA  82  OUI  HN2  3.50  6.50
 80  OUH  QPB  80  OUH  HA   1.80  2.50
 80  OUH  QPB  80  OUH  HE   3.50  6.50
 80  OUH  QPB  80  OUH  HN2  3.50  6.50
 80  OUH  QPB  80  OUH  HN   2.50  3.50
 80  OUH  QPB  80  OUH  HND  2.50  3.50
 81  OUK  HA   81  OUK  HN2  3.50  6.50
 81  OUK  HA   81  OUK  HN   2.50  3.50
 81  OUK  HA   83  OUH  HN2  3.50  6.50
 81  OUK  HN   80  OUH  HN2  2.50  3.50
 81  OUK  QPA  81  OUK  HN2  2.50  3.50
 81  OUK  QPA  81  OUK  HN   2.50  3.50
 81  OUK  QPB  81  OUK  HN2  3.50  6.50
 81  OUK  QPB  81  OUK  HN   2.50  3.50
 81  OUK  QPG  81  OUK  HN2  3.50  6.50
 81  OUK  QPG  81  OUK  HN   2.50  3.50
 82  OUI  HA   82  OUI  HN2  2.50  3.50
 82  OUI  HA   82  OUI  HN   2.50  3.50
 82  OUI  HA   84  ARG  HN   3.50  6.50
 82  OUI  HB   82  OUI  HN2  3.50  5.50
 82  OUI  HB   82  OUI  HN   2.50  4.00
 82  OUI  HN   81  OUK  HN2  2.50  3.50
 82  OUI  QG   82  OUI  HN2  3.50  6.50
 82  OUI  QG   82  OUI  HN   2.50  3.50
 82  OUI  QPA  82  OUI  HN2  2.50  3.50
 82  OUI  QPA  82  OUI  HN   2.50  3.50	
 82  OUI  QPA  84  ARG  HN   3.50  6.50
 82  OUI  QPG  82  OUI  HN2  3.50  6.50
 82  OUI  QPG  82  OUI  HN   2.50  3.50
 83  OUH  HA   83  OUH  HN   2.50  3.50
 83  OUH  HN   82  OUI  HN2  2.50  3.50
 83  OUH  QPA  83  OUH  HN   2.50  3.50
 83  OUH  QPB  83  OUH  HA   1.80  2.50
 83  OUH  QPB  83  OUH  HE   3.50  6.50
 83  OUH  QPB  83  OUH  HN   2.50  3.50
 83  OUH  QPB  83  OUH  HND  2.50  3.50
 84  ARG  HA   84  ARG  HN   2.50  3.50
 84  ARG  HN   67  ILE  QG   6.00  7.00
 84  ARG  HN   83  OUH  HN2  2.50  3.50
 84  ARG  QPB  84  ARG  HN   2.50  3.50
 84  ARG  QPD  84  ARG  HN   3.50  6.50
 84  ARG  QPG  84  ARG  HN   3.50  6.50
 85  LYS  HA   85  LYS  HN   2.50  3.50
 85  LYS  HN   86  ASP  HN   3.50  6.50
 85  LYS  QPB  85  LYS  HN   2.50  3.50
 85  LYS  QPB  86  ASP  HN   2.50  3.50
 85  LYS  QPD  85  LYS  HN   3.50  6.50
 85  LYS  QPG  85  LYS  HN   3.50  6.50
 86  ASP  HA   86  ASP  HN   2.50  3.50
 86  ASP  QPB  86  ASP  HN   2.50  3.50

#========================================
# CL112:DYANA, Hydrohen bonds restraints
#========================================
  63  PHE  HN   72  PHE  O  1.80  2.20
  63  PHE  N    72  PHE  O  2.70  3.00
  65  OUC  HN   70  ARG  O  1.80  2.20
  65  OUC  N    70  ARG  O  2.70  3.00
  69  GLY  HN   65  OUC  O  1.80  2.20
  69  GLY  N    65  OUC  O  2.70  3.00
  72  PHE  HN   63  PHE  O  1.80  2.20
  72  PHE  N    63  PHE  O  2.70  3.00
  77  OUE  HN2  75  SER  O  1.80  2.20
  77  OUE  N2   75  SER  O  1.80  2.20
  78  OUK  HN2  75  SER  O  1.80  2.20
  78  OUK  N2   75  SER  O  1.80  2.20
  78  OUK  HN2  76  OUD  O  1.80  2.20
  78  OUK  N2   76  OUD  O  2.70  3.00
  79  OUR  HN   76  OUD  O  1.80  2.20
  79  OUR  N    76  OUD  O  2.70  3.00
  79  OUR  HN2  77  OUE  O  1.80  2.20
  79  OUR  N2   77  OUE  O  2.70  3.00
  80  OUH  HN   77  OUE  O  1.80  2.20
  80  OUH  N    77  OUE  O  2.70  3.00
  80  OUH  HN2  78  OUK  O  1.80  2.20
  80  OUH  N2   78  OUK  O  2.70  3.00
  81  OUK  HN   78  OUK  O  1.80  2.20
  81  OUK  N    78  OUK  O  2.70  3.00
  81  OUK  HN2  79  OUR  O  1.80  2.20
  81  OUK  N2   79  OUR  O  2.70  3.00
  82  OUI  HN   79  OUR  O  1.80  2.20
  82  OUI  N    79  OUR  O  2.70  3.00
  82  OUI  HN2  80  OUH  O  1.80  2.20
  82  OUI  N2   80  OUH  O  2.70  3.00
  83  OUH  HN   80  OUH  O  1.80  2.20
  83  OUH  N    80  OUH  O  2.70  3.00
  83  OUH  HN2  81  OUK  O  1.80  2.20
  83  OUH  N2   81  OUK  O  2.70  3.00
  84  ARG  HN   81  OUK  O  1.80  2.20
  84  ARG  N    81  OUK  O  2.70  3.00

#==========================================
# CL112:DYANA, Dihedral anagles restraints
#==========================================
64  ALA  PHI   -93.2   -53.2
64  ALA  PSI   113.0   153.0
64  ALA  PSI   113.0   153.0
65  CYS  PHI  -156.9   -50.7
65  CYS  PSI    95.8   153.2
65  CYS  PSI    95.8   153.2
66  ASP  PHI  -105.8   -65.8
66  ASP  PSI    82.1   123.5
66  ASP  PSI    82.1   123.5
67  ILE  PHI  -112.7   -38.4
67  ILE  PSI   -67.8    31.3
67  ILE  PSI   -67.8    31.3
69  GLY  PHI  -158.1   -53.1
69  GLY  PSI   126.4   224.9
69  GLY  PSI   126.4   224.9
70  ARG  PHI  -116.4   -49.7
70  ARG  PSI   115.4   162.0
70  ARG  PSI   115.4   162.0
71  LYS  PHI  -102.1   -56.6
71  LYS  PSI    94.2   151.5
71  LYS  PSI    94.2   151.5
72  PHE  PHI  -115.0   -60.7
72  PHE  PSI   102.8   160.4
72  PHE  PSI   102.8   160.4
73  ALA  PHI  -144.0   -62.5
73  ALA  PSI   101.7   185.0
73  ALA  PSI   101.7   185.0
74  ARG  PHI   -83.2   -43.2
74  ARG  PSI   -52.9    -4.6
74  ARG  PSI   -52.9    -4.6
85  LYS  PHI   -88.4    31.1
85  LYS  PSI   -46.3    25.8
85  LYS  PSI   -46.3    25.8
# Restraints file 3: CL112_RST.all
#========================================================
# CL112:AMBER, Inter proton distances or NOE restraints
#========================================================
#
# strong 1.8 - 2.5 A°
# Medium 2.5 - 3.5 A°
# Weak   3.5 - 6.5 A°
#
#
#  62  PRO  HA   63  PHE  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  14,  18, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#  62  PRO  QPB  62  PRO  HA   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  14, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=  11,  12,
 &end
#
#  62  PRO  QPD  62  PRO  HA   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  14, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=   5,   6,
 &end
#
#  62  PRO  QPG  62  PRO  HA   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  14, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=   8,   9,
 &end
#
#  64  ALA  HA   63  PHE  QD   4.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  26,  34,
 &end
#
#  64  ALA  HA   64  ALA  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  38, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  64  ALA  HA   72  PHE  HN   2.50  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  40, 152, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  64  ALA  QB   64  ALA  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  42,  43,  44,
 &end
#
#  64  ALA  QB   65  CYS  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  48, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  42,  43,  44,
 &end
#
#  64  ALA  QB   72  PHE  HN   2.50  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1=  42,  43,  44,
 &end
#
#  65  CYS  HA   65  CYS  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  50,  48, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  65  CYS  HA   66  ASP  HN   2.50  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  50,  58, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  65  CYS  HN   64  ALA  QB   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  48,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  42,  43,  44,
 &end
#
#  65  CYS  QPB  65  CYS  HA   1.80  2.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  50, r1= 1.30, r2= 1.80, r3= 2.02, r4= 2.52,
 igr1=  53,  52,
 &end
#
#  65  CYS  QPB  65  CYS  HA   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  50, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=  53,  52,
 &end
#
#  65  CYS  QPB  65  CYS  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  48, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=  53,  52,
 &end
#
#  65  CYS  QPB  68  CYS  HA   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  91, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  53,  52,
 &end
#
#  65  CYS  QPB  72  PHE  QD   4.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  53,  52,
 igr2= 160, 168,
 &end
#
#  66  ASP  HA   66  ASP  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  58, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  66  ASP  HA   67  ILE  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  70, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  66  ASP  HA   69  GLY  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  99, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  66  ASP  QPB  66  ASP  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  58, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=  62,  63,
 &end
#
#  66  ASP  QPB  67  ILE  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  70, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  62,  63,
 &end
#
#  66  OUD  HN   67  ILE  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  70, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  67  ILE  HA   67  ILE  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  72,  70, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  67  ILE  HA   68  CYS  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  72,  89, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  67  ILE  HB   67  ILE  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  70, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  67  ILE  HB   68  CYS  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  89, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  67  ILE  HB   69  GLY  HN   4.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  99, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  67  ILE  HB   83  OUH  HND  2.50  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  74, 391, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  67  ILE  HN   68  CYS  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  70,  89, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  67  ILE  HN   69  GLY  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  70,  99, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  67  ILE  QD1  83  OUH  HND  5.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  83,  84,  85,
 &end
#
#  67  ILE  QG   67  ILE  HN   2.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  70, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1=  76,  77,  78,
 &end
#
#  67  ILE  QG   68  CYS  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  89, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1=  76,  77,  78,
 &end
#
#  67  ILE  QG   83  OUH  HND  5.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  76,  77,  78,
 &end
#
#  67  ILE  QPG  67  ILE  HN   3.50  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  70, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  80,  81,
 &end
#
#  68  CYS  HA   68  CYS  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  89, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  68  CYS  HA   69  GLY  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  99, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  68  CYS  HA   70  ARG  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  91, 106, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  68  CYS  HN   69  GLY  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  89,  99, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  68  CYS  HN   70  ARG  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  89, 106, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  68  CYS  QPB  68  CYS  HA   1.80  2.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  91, r1= 1.30, r2= 1.80, r3= 2.02, r4= 2.52,
 igr1=  94,  93,
 &end
#
#  68  CYS  QPB  68  CYS  HA   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  91, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=  94,  93,
 &end
#
#  68  CYS  QPB  68  CYS  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  89, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=  94,  93,
 &end
#
#  68  CYS  QPB  68  CYS  HN   2.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  89, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=  94,  93,
 &end
#
#  68  CYS  QPB  69  GLY  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  99, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  94,  93,
 &end
#
#  68  CYS  QPB  70  ARG  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 106, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=  94,  93,
 &end
#
#  69  GLY  QPA  68  CYS  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  89, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 101, 102,
 &end
#
#  69  GLY  QPA  69  GLY  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  99, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 101, 102,
 &end
#
#  69  GLY  QPA  70  ARG  HN   2.50  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 106, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 101, 102,
 &end
#
#  70  ARG  HA   70  ARG  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 108, 106, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  70  ARG  QPB  70  ARG  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 106, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 110, 111,
 &end
#
#  70  ARG  QPG  70  ARG  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 106, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 113, 114,
 &end
#
#  71  LYS  HA   71  LYS  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 132, 130, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  71  LYS  QPB  71  LYS  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 130, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 134, 135,
 &end
#
#  71  LYS  QPG  71  LYS  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 130, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 137, 138,
 &end
#
#  72  PHE  HA   72  PHE  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 152, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  72  PHE  HA   72  PHE  QD   2.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 160, 168,
 &end
#
#  72  PHE  HA   72  PHE  QE   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 162, 166,
 &end
#
#  72  PHE  HA   72  PHE  QE   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 162, 166,
 &end
#
#  72  PHE  QPB  72  PHE  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 156, 157,
 &end
#
#  72  PHE  QPB  72  PHE  QD   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 156, 157,
 igr2= 160, 168,
 &end
#
#  72  PHE  QPB  72  PHE  QE   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 156, 157,
 igr2= 162, 166,
 &end
#
#  72  PHE  QPB  72  PHE  QE   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 156, 157,
 igr2= 162, 166,
 &end
#
#  72  PHE  QPB  75  SER  HN   4.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 206, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 156, 157,
 &end
#
#  73  ALA  HA   73  ALA  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 172, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  73  ALA  HN   74  ARG  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 182, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  73  ALA  QB   73  ALA  HN   2.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 176, 177, 178,
 &end
#
#  74  ARG  HA   74  ARG  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 184, 182, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  74  ARG  QPB  74  ARG  HN   2.50  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 186, 187,
 &end
#
#  74  ARG  QPG  74  ARG  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 189, 190,
 &end
#
#  75  SER  HA   75  SER  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 206, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  75  SER  HA   76  OUD  HN   2.50  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 217, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  75  SER  HA   77  OUE  HN2  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 250, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  75  SER  HA   77  OUE  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 234, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  75  SER  QPB  75  SER  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 206, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 210, 211,
 &end
#
#  75  SER  QPB  76  OUD  HN   2.50  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 210, 211,
 &end
#
#  76  OUD  HA   76  OUD  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 230, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  76  OUD  HA   76  OUD  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 217, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  76  OUD  HA   78  OUK  HN2  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 277, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  76  OUD  HA   78  OUK  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 254, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  76  OUD  HN   75  SER  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 206, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  76  OUD  QPA  76  OUD  HN2  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 230, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 227, 228,
 &end
#
#  76  OUD  QPA  76  OUD  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 227, 228,
 &end
#
#  76  OUD  QPA  78  OUK  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 277, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 227, 228,
 &end
#
#  76  OUD  QPB  76  OUD  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 230, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 221, 222,
 &end
#
#  76  OUD  QPB  76  OUD  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 221, 222,
 &end
#
#  77  OUE  HA   77  OUE  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 250, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  77  OUE  HA   77  OUE  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 234, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  77  OUE  HA   79  OUR  HN2  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 306, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  77  OUE  HA   79  OUR  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 281, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  77  OUE  HN   76  OUD  HN2  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 230, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  77  OUE  QPA  77  OUE  HN2  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 250, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 247, 248,
 &end
#
#  77  OUE  QPA  77  OUE  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 234, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 247, 248,
 &end
#
#  77  OUE  QPA  79  OUR  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 247, 248,
 &end
#
#  77  OUE  QPB  77  OUE  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 250, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 238, 239,
 &end
#
#  77  OUE  QPB  77  OUE  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 234, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 238, 239,
 &end
#
#  77  OUE  QPG  77  OUE  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 250, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 241, 242,
 &end
#
#  77  OUE  QPG  77  OUE  HN   2.50  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 234, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 241, 242,
 &end
#
#  78  OUK  HA   78  OUK  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 277, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  78  OUK  HA   78  OUK  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 254, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  78  OUK  HA   80  OUH  HN2  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 328, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  78  OUK  HA   80  OUH  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 310, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  78  OUK  HN   77  OUK  HN2  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 250, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  78  OUK  QPA  78  OUK  HN2  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 277, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 274, 275,
 &end
#
#  78  OUK  QPA  78  OUK  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 274, 275,
 &end
#
#  78  OUK  QPA  80  OUH  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 274, 275,
 &end
#
#  78  OUK  QPB  78  OUK  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 277, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 258, 259,
 &end
#
#  78  OUK  QPB  78  OUK  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 258, 259,
 &end
#
#  78  OUK  QPG  78  OUK  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 277, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 261, 262,
 &end
#
#  78  OUK  QPG  78  OUK  HN   2.50  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 261, 262,
 &end
#
#  79  OUR  HA   79  OUR  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 306, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  79  OUR  HA   79  OUR  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 281, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  79  OUR  HA   81  OUK  HN2  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 355, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  79  OUR  HA   81  OUK  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 332, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  79  OUR  HN   78  OUK  HN2  2.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 281, 277, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  79  OUR  QPA  79  OUR  HN2  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 303, 304,
 &end
#
#  79  OUR  QPA  79  OUR  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 303, 304,
 &end
#
#  79  OUR  QPA  81  OUK  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 303, 304,
 &end
#
#  79  OUR  QPB  79  OUR  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 285, 286,
 &end
#
#  79  OUR  QPB  79  OUR  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 285, 286,
 &end
#
#  79  OUR  QPG  79  OUR  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 288, 289,
 &end
#
#  79  OUR  QPG  79  OUR  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 288, 289,
 &end
#
#  80  OUH  HA   80  OUH  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 312, 328, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  80  OUH  HA   80  OUH  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 312, 310, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  80  OUH  HA   82  OUI  HN2  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 312, 379, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  80  OUH  HA   82  OUI  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 312, 359, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  80  OUH  HN   79  OUR  HN2  2.50  4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 306, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  80  OUH  QPA  80  OUH  HN2  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 325, 326,
 &end
#
#  80  OUH  QPA  80  OUH  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 310, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 325, 326,
 &end
#
#  80  OUH  QPA  82  OUI  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 325, 326,
 &end
#
#  80  OUH  QPB  80  OUH  HA   1.80  2.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 312, r1= 1.30, r2= 1.80, r3= 2.02, r4= 2.52,
 igr1= 314, 315,
 &end
#
#  80  OUH  QPB  80  OUH  HE   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 322, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 314, 315,
 &end
#
#  80  OUH  QPB  80  OUH  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 314, 315,
 &end
#
#  80  OUH  QPB  80  OUH  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 310, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 314, 315,
 &end
#
#  80  OUH  QPB  80  OUH  HND  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 314, 315,
 &end
#
#  81  OUK  HA   81  OUK  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 355, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  81  OUK  HA   81  OUK  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 332, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  81  OUK  HA   83  OUH  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 401, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  81  OUK  HN   80  OUH  HN2  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 328, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  81  OUK  QPA  81  OUK  HN2  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 352, 353,
 &end
#
#  81  OUK  QPA  81  OUK  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 352, 353,
 &end
#
#  81  OUK  QPB  81  OUK  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 336, 337,
 &end
#
#  81  OUK  QPB  81  OUK  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 336, 337,
 &end
#
#  81  OUK  QPG  81  OUK  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 339, 340,
 &end
#
#  81  OUK  QPG  81  OUK  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 339, 340,
 &end
#
#  82  OUI  HA   82  OUI  HN2  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 379, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  82  OUI  HA   82  OUI  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 359, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  82  OUI  HA   84  ARG  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 405, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  82  OUI  HB   82  OUI  HN2  3.50  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 379, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  82  OUI  HB   82  OUI  HN   2.50  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 359, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  82  OUI  HN   81  OUK  HN2  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 355, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  82  OUI  QG   82  OUI  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 368, 369, 370,
 &end
#
#  82  OUI  QG   82  OUI  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 368, 369, 370,
 &end
#
#  82  OUI  QPA  82  OUI  HN2  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 376, 377,
 &end
#
#  82  OUI  QPA  82  OUI  HN   2.50  3.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 376, 377,
 &end
#
#  82  OUI  QPA  84  ARG  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 405, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 376, 377,
 &end
#
#  82  OUI  QPG  82  OUI  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 365, 366,
 &end
#
#  82  OUI  QPG  82  OUI  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 365, 366,
 &end
#
#  83  OUH  HA   83  OUH  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 383, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  83  OUH  HN   82  OUI  HN2  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 379, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  83  OUH  QPA  83  OUH  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 398, 399,
 &end
#
#  83  OUH  QPB  83  OUH  HA   1.80  2.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 385, r1= 1.30, r2= 1.80, r3= 2.02, r4= 2.52,
 igr1= 387, 388,
 &end
#
#  83  OUH  QPB  83  OUH  HE   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 387, 388,
 &end
#
#  83  OUH  QPB  83  OUH  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 387, 388,
 &end
#
#  83  OUH  QPB  83  OUH  HND  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 387, 388,
 &end
#
#  84  ARG  HA   84  ARG  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 405, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  84  ARG  HN   67  ILE  QG   6.00  7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=  76,  77,  78,
 &end
#
#  84  ARG  HN   83  OUH  HN2  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 401, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  84  ARG  QPB  84  ARG  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 405, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 409, 410,
 &end
#
#  84  ARG  QPD  84  ARG  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 405, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 415, 416,
 &end
#
#  84  ARG  QPG  84  ARG  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 405, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 412, 413,
 &end
#
#  85  LYS  HA   85  LYS  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 431, 429, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  85  LYS  HN   86  ASP  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 451, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  85  LYS  QPB  85  LYS  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 433, 434,
 &end
#
#  85  LYS  QPB  86  ASP  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 433, 434,
 &end
#
#  85  LYS  QPD  85  LYS  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 439, 440,
 &end
#
#  85  LYS  QPG  85  LYS  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 436, 437,
 &end
#
#  86  ASP  HA   86  ASP  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 451, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  86  ASP  QPB  86  ASP  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 455, 456,
 &end
#========================================
# CL112:AMBER, Hydrohen bonds restraints
#========================================

# 463 atoms read from pdb file AMBER_pdb4restraints_conversion.pdb.
#
#   63  PHE  HN   72  PHE  O  1.80  2.20
 &rst
  ixpk= 0, nxpk= 0, iat=  18, 170, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#   63  PHE  N    72  PHE  O  2.70  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  17, 170, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   65  CYS  HN   70  ARG  O  1.80  2.20
 &rst
  ixpk= 0, nxpk= 0, iat=  48, 128, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   65  CYS  N    70  ARG  O  2.70  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  47, 128, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   69  GLY  HN   65  CYS  O  1.80  2.20
 &rst
  ixpk= 0, nxpk= 0, iat=  99,  56, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   69  GLY  N    65  CYS  O  2.70  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  98,  56, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   72  PHE  HN   63  PHE  O  1.80  2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 152,  36, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   72  PHE  N    63  PHE  O  2.70  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 151,  36, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   77  OUE  HN2  75  SER  O  1.80  2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 215, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   77  OUE  N2   75  SER  O  1.80  2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 215, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   78  OUK  HN2  75  SER  O  1.80  2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 215, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   78  OUK  N2   75  SER  O  1.80  2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 215, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   78  OUK  HN2  76  OUD  O  1.80  2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 232, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   78  OUK  N2   76  OUD  O  2.70  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 232, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   79  OUR  HN   76  OUD  O  1.80  2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 281, 232, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   79  OUR  N    76  OUD  O  2.70  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 232, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   79  OUR  HN2  77  OUE  O  1.80  2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 252, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   79  OUR  N2   77  OUE  O  2.70  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 252, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   80  OUH  HN   77  OUE  O  1.80  2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 252, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   80  OUH  N    77  OUE  O  2.70  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 252, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   80  OUH  HN2  78  OUK  O  1.80  2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 279, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   80  OUH  N2   78  OUK  O  2.70  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 279, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   81  OUK  HN   78  OUK  O  1.80  2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 279, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   81  OUK  N    78  OUK  O  2.70  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 331, 279, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   81  OUK  HN2  79  OUR  O  1.80  2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 308, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   81  OUK  N2   79  OUR  O  2.70  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 308, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   82  OUI  HN   79  OUR  O  1.80  2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 308, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   82  OUI  N    79  OUR  O  2.70  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 358, 308, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   82  OUI  HN2  80  OUH  O  1.80  2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 379, 330, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   82  OUI  N2   80  OUH  O  2.70  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 330, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   83  OUH  HN   80  OUH  O  1.80  2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 330, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   83  OUH  N    80  OUH  O  2.70  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 330, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   83  OUH  HN2  81  OUK  O  1.80  2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 401, 357, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   83  OUH  N2   81  OUK  O  2.70  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 357, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   84  ARG  HN   81  OUK  O  1.80  2.20
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 357, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   84  ARG  N    81  OUK  O  2.70  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 357, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#==========================================
# CL112:AMBER, Dihedral anagles restraints
#==========================================
#
# 463 atoms read from pdb file AMBER_pdb4restraints_conversion.pdb.
#
# 64 ALA PHI:  (63 PHE C)-(64 ALA N)-(64 ALA CA)-(64 ALA C) -93.2 -53.2
 &rst     iat =    35,    37,    39,    45,
	  r1 = -94.2, r2 = -93.2, r3 = -53.2, r4 = -52.2,
	  rk2 =   2.0, rk3 =   2.0,				&end

# 64 ALA PSI:  (64 ALA N)-(64 ALA CA)-(64 ALA C)-(65 CYS N) 113.0 153.0
 &rst     iat =    37,    39,    45,    47,
	  r1 = 112.0, r2 = 113.0, r3 = 153.0, r4 = 154.0,
	&end

# 64 ALA PSI:  (64 ALA N)-(64 ALA CA)-(64 ALA C)-(65 CYS N) 113.0 153.0
 &rst     iat =    37,    39,    45,    47,
	  r1 = 112.0, r2 = 113.0, r3 = 153.0, r4 = 154.0,
	&end

# 65 CYS PHI:  (64 ALA C)-(65 CYS N)-(65 CYS CA)-(65 CYS C) -156.9 -50.7
 &rst     iat =    45,    47,    49,    55,
	  r1 = -157.9, r2 = -156.9, r3 = -50.7, r4 = -49.7,
	&end

# 65 CYS PSI:  (65 CYS N)-(65 CYS CA)-(65 CYS C)-(66 ASP N)  95.8 153.2
 &rst     iat =    47,    49,    55,    57,
	  r1 =  94.8, r2 =  95.8, r3 = 153.2, r4 = 154.2,
	&end

# 65 CYS PSI:  (65 CYS N)-(65 CYS CA)-(65 CYS C)-(66 ASP N)  95.8 153.2
 &rst     iat =    47,    49,    55,    57,
	  r1 =  94.8, r2 =  95.8, r3 = 153.2, r4 = 154.2,
	&end

# 66 ASP PHI:  (65 CYS C)-(66 ASP N)-(66 ASP CA)-(66 ASP C) -105.8 -65.8
 &rst     iat =    55,    57,    59,    67,
	  r1 = -106.8, r2 = -105.8, r3 = -65.8, r4 = -64.8,
	&end

# 66 ASP PSI:  (66 ASP N)-(66 ASP CA)-(66 ASP C)-(67 ILE N)  82.1 123.5
 &rst     iat =    57,    59,    67,    69,
	  r1 =  81.1, r2 =  82.1, r3 = 123.5, r4 = 124.5,
	&end

# 66 ASP PSI:  (66 ASP N)-(66 ASP CA)-(66 ASP C)-(67 ILE N)  82.1 123.5
 &rst     iat =    57,    59,    67,    69,
	  r1 =  81.1, r2 =  82.1, r3 = 123.5, r4 = 124.5,
	&end

# 67 ILE PHI:  (66 ASP C)-(67 ILE N)-(67 ILE CA)-(67 ILE C) -112.7 -38.4
 &rst     iat =    67,    69,    71,    86,
	  r1 = -113.7, r2 = -112.7, r3 = -38.4, r4 = -37.4,
	&end

# 67 ILE PSI:  (67 ILE N)-(67 ILE CA)-(67 ILE C)-(68 CYS N) -67.8  31.3
 &rst     iat =    69,    71,    86,    88,
	  r1 = -68.8, r2 = -67.8, r3 =  31.3, r4 =  32.3,
	&end

# 67 ILE PSI:  (67 ILE N)-(67 ILE CA)-(67 ILE C)-(68 CYS N) -67.8  31.3
 &rst     iat =    69,    71,    86,    88,
	  r1 = -68.8, r2 = -67.8, r3 =  31.3, r4 =  32.3,
	&end

# 69 GLY PHI:  (68 CYS C)-(69 GLY N)-(69 GLY CA)-(69 GLY C) -158.1 -53.1
 &rst     iat =    96,    98,   100,   103,
	  r1 = -159.1, r2 = -158.1, r3 = -53.1, r4 = -52.1,
	&end

# 69 GLY PSI:  (69 GLY N)-(69 GLY CA)-(69 GLY C)-(70 ARG N) 126.4 224.9
 &rst     iat =    98,   100,   103,   105,
	  r1 = 125.4, r2 = 126.4, r3 = 224.9, r4 = 225.9,
	&end

# 69 GLY PSI:  (69 GLY N)-(69 GLY CA)-(69 GLY C)-(70 ARG N) 126.4 224.9
 &rst     iat =    98,   100,   103,   105,
	  r1 = 125.4, r2 = 126.4, r3 = 224.9, r4 = 225.9,
	&end

# 70 ARG PHI:  (69 GLY C)-(70 ARG N)-(70 ARG CA)-(70 ARG C) -116.4 -49.7
 &rst     iat =   103,   105,   107,   127,
	  r1 = -117.4, r2 = -116.4, r3 = -49.7, r4 = -48.7,
	&end

# 70 ARG PSI:  (70 ARG N)-(70 ARG CA)-(70 ARG C)-(71 LYS N) 115.4 162.0
 &rst     iat =   105,   107,   127,   129,
	  r1 = 114.4, r2 = 115.4, r3 = 162.0, r4 = 163.0,
	&end

# 70 ARG PSI:  (70 ARG N)-(70 ARG CA)-(70 ARG C)-(71 LYS N) 115.4 162.0
 &rst     iat =   105,   107,   127,   129,
	  r1 = 114.4, r2 = 115.4, r3 = 162.0, r4 = 163.0,
	&end

# 71 LYS PHI:  (70 ARG C)-(71 LYS N)-(71 LYS CA)-(71 LYS C) -102.1 -56.6
 &rst     iat =   127,   129,   131,   149,
	  r1 = -103.1, r2 = -102.1, r3 = -56.6, r4 = -55.6,
	&end

# 71 LYS PSI:  (71 LYS N)-(71 LYS CA)-(71 LYS C)-(72 PHE N)  94.2 151.5
 &rst     iat =   129,   131,   149,   151,
	  r1 =  93.2, r2 =  94.2, r3 = 151.5, r4 = 152.5,
	&end

# 71 LYS PSI:  (71 LYS N)-(71 LYS CA)-(71 LYS C)-(72 PHE N)  94.2 151.5
 &rst     iat =   129,   131,   149,   151,
	  r1 =  93.2, r2 =  94.2, r3 = 151.5, r4 = 152.5,
	&end

# 72 PHE PHI:  (71 LYS C)-(72 PHE N)-(72 PHE CA)-(72 PHE C) -115.0 -60.7
 &rst     iat =   149,   151,   153,   169,
	  r1 = -116.0, r2 = -115.0, r3 = -60.7, r4 = -59.7,
	&end

# 72 PHE PSI:  (72 PHE N)-(72 PHE CA)-(72 PHE C)-(73 ALA N) 102.8 160.4
 &rst     iat =   151,   153,   169,   171,
	  r1 = 101.8, r2 = 102.8, r3 = 160.4, r4 = 161.4,
	&end

# 72 PHE PSI:  (72 PHE N)-(72 PHE CA)-(72 PHE C)-(73 ALA N) 102.8 160.4
 &rst     iat =   151,   153,   169,   171,
	  r1 = 101.8, r2 = 102.8, r3 = 160.4, r4 = 161.4,
	&end

# 73 ALA PHI:  (72 PHE C)-(73 ALA N)-(73 ALA CA)-(73 ALA C) -144.0 -62.5
 &rst     iat =   169,   171,   173,   179,
	  r1 = -145.0, r2 = -144.0, r3 = -62.5, r4 = -61.5,
	&end

# 73 ALA PSI:  (73 ALA N)-(73 ALA CA)-(73 ALA C)-(74 ARG N) 101.7 185.0
 &rst     iat =   171,   173,   179,   181,
	  r1 = 100.7, r2 = 101.7, r3 = 185.0, r4 = 186.0,
	&end

# 73 ALA PSI:  (73 ALA N)-(73 ALA CA)-(73 ALA C)-(74 ARG N) 101.7 185.0
 &rst     iat =   171,   173,   179,   181,
	  r1 = 100.7, r2 = 101.7, r3 = 185.0, r4 = 186.0,
	&end

# 74 ARG PHI:  (73 ALA C)-(74 ARG N)-(74 ARG CA)-(74 ARG C) -83.2 -43.2
 &rst     iat =   179,   181,   183,   203,
	  r1 = -84.2, r2 = -83.2, r3 = -43.2, r4 = -42.2,
	&end

# 74 ARG PSI:  (74 ARG N)-(74 ARG CA)-(74 ARG C)-(75 SER N) -52.9  -4.6
 &rst     iat =   181,   183,   203,   205,
	  r1 = -53.9, r2 = -52.9, r3 =  -4.6, r4 =  -3.6,
	&end

# 74 ARG PSI:  (74 ARG N)-(74 ARG CA)-(74 ARG C)-(75 SER N) -52.9  -4.6
 &rst     iat =   181,   183,   203,   205,
	  r1 = -53.9, r2 = -52.9, r3 =  -4.6, r4 =  -3.6,
	&end

# 85 LYS PHI:  (84 ARG C)-(85 LYS N)-(85 LYS CA)-(85 LYS C) -88.4  31.1
 &rst     iat =   426,   428,   430,   448,
	  r1 = -89.4, r2 = -88.4, r3 =  31.1, r4 =  32.1,
	&end

# 85 LYS PSI:  (85 LYS N)-(85 LYS CA)-(85 LYS C)-(86 ASP N) -46.3  25.8
 &rst     iat =   428,   430,   448,   450,
	  r1 = -47.3, r2 = -46.3, r3 =  25.8, r4 =  26.8,
	&end

# 85 LYS PSI:  (85 LYS N)-(85 LYS CA)-(85 LYS C)-(86 ASP N) -46.3  25.8
 &rst     iat =   428,   430,   448,   450,
	  r1 = -47.3, r2 = -46.3, r3 =  25.8, r4 =  26.8,
	&end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   PRO  62           HA       PRO  62 -10.702  -6.574  -3.642
    2    HB2  PRO  62           HB2      PRO  62 -12.057  -5.372  -1.373
    3    HB3  PRO  62           HB3      PRO  62 -11.878  -4.766  -3.039
    4    HG2  PRO  62           HG2      PRO  62 -14.124  -6.411  -1.838
    5    HG3  PRO  62           HG3      PRO  62 -14.229  -5.092  -3.047
    6    HD2  PRO  62           HD2      PRO  62 -14.429  -7.599  -3.920
    7    HD3  PRO  62           HD3      PRO  62 -13.294  -6.513  -4.763
    8    H    PHE  63           H        PHE  63  -9.319  -5.876  -1.743
    9    HA   PHE  63           HA       PHE  63  -9.553  -7.499   0.711
   10    HB2  PHE  63           HB2      PHE  63  -7.875  -8.542  -1.018
   11    HB3  PHE  63           HB3      PHE  63  -6.839  -7.190  -0.598
   12    HD1  PHE  63           HD1      PHE  63  -8.460 -10.302   0.579
   13    HD2  PHE  63           HD2      PHE  63  -5.795  -7.088   1.669
   14    HE1  PHE  63           HE1      PHE  63  -7.664 -11.616   2.525
   15    HE2  PHE  63           HE2      PHE  63  -5.035  -8.399   3.643
   16    HZ   PHE  63           HZ       PHE  63  -5.930 -10.673   4.045
   17    H    ALA  64           H        ALA  64  -8.471  -6.413   2.561
   18    HA   ALA  64           HA       ALA  64  -8.287  -3.478   2.076
   19    HB1  ALA  64           HB1      ALA  64  -9.007  -5.000   4.589
   20    HB2  ALA  64           HB2      ALA  64  -8.909  -3.230   4.430
   21    HB3  ALA  64           HB3      ALA  64 -10.129  -4.137   3.510
   22    H    CYS  65           H        CYS  65  -6.708  -2.225   2.984
   23    HA   CYS  65           HA       CYS  65  -4.150  -3.495   3.726
   24    HB2  CYS  65           HB2      CYS  65  -5.097  -0.630   3.618
   25    HB3  CYS  65           HB3      CYS  65  -3.412  -1.143   3.907
   26    H    ASP  66           H        ASP  66  -3.384  -3.589   5.763
   27    HA   ASP  66           HA       ASP  66  -4.735  -2.758   8.172
   28    HB2  ASP  66           HB2      ASP  66  -3.024  -4.508   8.092
   29    HB3  ASP  66           HB3      ASP  66  -1.836  -3.379   7.469
   30    H    ILE  67           H        ILE  67  -1.786  -1.448   6.712
   31    HA   ILE  67           HA       ILE  67  -1.650   0.889   8.118
   32    HB   ILE  67           HB       ILE  67  -0.622   0.224   5.345
   33   HG12  ILE  67          2HG1      ILE  67   0.183  -1.342   7.029
   34   HG13  ILE  67          3HG1      ILE  67   1.486  -0.335   6.441
   35   HG21  ILE  67          HG21      ILE  67   0.269   2.523   7.113
   36   HG22  ILE  67          HG22      ILE  67   1.167   1.918   5.699
   37   HG23  ILE  67          HG23      ILE  67  -0.440   2.622   5.495
   38   HD11  ILE  67          1HD1      ILE  67   1.351   1.047   8.522
   39   HD12  ILE  67          2HD1      ILE  67   0.072  -0.032   9.129
   40   HD13  ILE  67          3HD1      ILE  67   1.701  -0.655   8.838
   41    H    CYS  68           H        CYS  68  -3.706   0.561   5.278
   42    HA   CYS  68           HA       CYS  68  -4.226   3.509   5.300
   43    HB2  CYS  68           HB2      CYS  68  -4.979   1.341   3.315
   44    HB3  CYS  68           HB3      CYS  68  -5.759   2.907   3.366
   45    H    GLY  69           H        GLY  69  -5.608   0.478   6.505
   46    HA2  GLY  69           HA2      GLY  69  -7.709  -0.138   7.145
   47    HA3  GLY  69           HA3      GLY  69  -7.975   1.561   7.554
   48    H    ARG  70           H        ARG  70  -7.409   0.328   4.260
   49    HA   ARG  70           HA       ARG  70 -10.195   1.001   3.432
   50    HB2  ARG  70           HB2      ARG  70  -7.648   2.079   2.150
   51    HB3  ARG  70           HB3      ARG  70  -9.243   2.222   1.432
   52    HG2  ARG  70           HG2      ARG  70  -8.354   3.504   4.039
   53    HG3  ARG  70           HG3      ARG  70  -8.541   4.316   2.482
   54    HD2  ARG  70           HD2      ARG  70 -10.953   3.852   2.525
   55    HD3  ARG  70           HD3      ARG  70 -10.782   2.962   4.012
   56    HE   ARG  70           HE       ARG  70  -9.969   5.833   3.935
   57   HH11  ARG  70          1HH1      ARG  70 -11.121   7.254   5.310
   58   HH12  ARG  70          2HH1      ARG  70 -12.639   6.698   5.980
   59   HH21  ARG  70          1HH2      ARG  70 -12.243   3.476   5.236
   60   HH22  ARG  70          2HH2      ARG  70 -13.242   4.725   5.941
   61    H    LYS  71           H        LYS  71 -10.883   0.160   1.441
   62    HA   LYS  71           HA       LYS  71  -9.771  -2.491   0.782
   63    HB2  LYS  71           HB2      LYS  71 -12.237  -0.981  -0.189
   64    HB3  LYS  71           HB3      LYS  71 -11.765  -2.597  -0.742
   65    HG2  LYS  71           HG2      LYS  71 -11.969  -3.501   1.533
   66    HG3  LYS  71           HG3      LYS  71 -12.424  -1.885   2.136
   67    HD2  LYS  71           HD2      LYS  71 -14.384  -1.862   0.626
   68    HD3  LYS  71           HD3      LYS  71 -13.953  -3.465   0.007
   69    HE2  LYS  71           HE2      LYS  71 -14.338  -4.489   2.156
   70    HE3  LYS  71           HE3      LYS  71 -14.462  -2.916   2.966
   71    HZ1  LYS  71           HZ1      LYS  71 -16.516  -2.495   1.859
   72    HZ2  LYS  71           HZ2      LYS  71 -16.397  -3.814   0.892
   73    HZ3  LYS  71           HZ3      LYS  71 -16.624  -4.014   2.484
   74    H    PHE  72           H        PHE  72  -8.771  -3.077  -0.970
   75    HA   PHE  72           HA       PHE  72  -8.778  -1.437  -3.450
   76    HB2  PHE  72           HB2      PHE  72  -6.333  -2.414  -1.927
   77    HB3  PHE  72           HB3      PHE  72  -6.282  -1.936  -3.617
   78    HD1  PHE  72           HD1      PHE  72  -6.725   0.397  -4.323
   79    HD2  PHE  72           HD2      PHE  72  -6.427  -0.688  -0.152
   80    HE1  PHE  72           HE1      PHE  72  -6.422   2.782  -3.723
   81    HE2  PHE  72           HE2      PHE  72  -6.114   1.714   0.434
   82    HZ   PHE  72           HZ       PHE  72  -6.117   3.442  -1.349
   83    H    ALA  73           H        ALA  73  -7.820  -2.691  -5.275
   84    HA   ALA  73           HA       ALA  73  -8.717  -5.475  -5.338
   85    HB1  ALA  73           HB1      ALA  73  -9.121  -3.945  -7.213
   86    HB2  ALA  73           HB2      ALA  73  -7.375  -3.729  -7.447
   87    HB3  ALA  73           HB3      ALA  73  -8.139  -5.316  -7.715
   88    H    ARG  74           H        ARG  74  -6.136  -5.511  -7.314
   89    HA   ARG  74           HA       ARG  74  -4.397  -6.977  -5.360
   90    HB2  ARG  74           HB2      ARG  74  -6.116  -8.423  -6.619
   91    HB3  ARG  74           HB3      ARG  74  -5.188  -8.080  -8.088
   92    HG2  ARG  74           HG2      ARG  74  -3.152  -9.064  -6.954
   93    HG3  ARG  74           HG3      ARG  74  -4.166  -9.395  -5.536
   94    HD2  ARG  74           HD2      ARG  74  -5.705 -10.718  -7.116
   95    HD3  ARG  74           HD3      ARG  74  -4.387 -10.611  -8.312
   96    HE   ARG  74           HE       ARG  74  -3.692 -11.600  -5.610
   97   HH11  ARG  74          1HH1      ARG  74  -3.963 -14.876  -6.138
   98   HH12  ARG  74          2HH1      ARG  74  -3.458 -13.588  -5.074
   99   HH21  ARG  74          1HH2      ARG  74  -4.472 -12.757  -8.828
  100   HH22  ARG  74          2HH2      ARG  74  -4.371 -14.412  -8.277
  101    H    SER  75           H        SER  75  -4.603  -5.890  -8.726
  102    HA   SER  75           HA       SER  75  -3.187  -4.680 -10.034
  103    HB2  SER  75           HB2      SER  75  -3.179  -3.099  -7.455
  104    HB3  SER  75           HB3      SER  75  -2.889  -2.470  -9.092
  105    HG   SER  75           HG       SER  75  -4.990  -2.178  -8.964
  106    H    OUD  76           H        OUD  76  -1.456  -6.308 -10.228
  107    HA   OUD  76           HA       OUD  76   1.144  -5.276  -9.204
  108    HB3  OUD  76           HB3      OUD  76   0.839  -7.739  -9.341
  109    HB2  OUD  76           HB2      OUD  76   0.572  -7.616 -11.077
  110    HM3  OUD  76           HM3      OUD  76   1.953  -4.850 -11.513
  111    HM2  OUD  76           HM2      OUD  76   0.369  -5.297 -12.161
  112    HN2  OUD  76           HN2      OUD  76  -0.496  -3.252 -11.471
  113    H    OUE  77           H        OUE  77  -0.710  -1.423 -10.243
  114    HA   OUE  77           HA       OUE  77   1.573  -0.762  -8.441
  115    HB3  OUE  77           HB3      OUE  77   1.898   0.409 -10.595
  116    HB2  OUE  77           HB2      OUE  77   0.288   1.075 -10.511
  117    HG3  OUE  77           HG3      OUE  77   1.001   2.380  -8.429
  118    HG2  OUE  77           HG2      OUE  77   2.620   1.709  -8.618
  119    HM2  OUE  77           HM2      OUE  77  -1.233   0.428  -8.506
  120    HM3  OUE  77           HM3      OUE  77  -0.004   0.697  -7.265
  121    HN2  OUE  77           HN2      OUE  77  -1.222  -1.974  -7.816
  122    H    OUK  78           H        OUK  78  -1.353  -3.400  -6.220
  123    HA   OUK  78           HA       OUK  78   0.576  -2.987  -3.989
  124    HB2  OUK  78           HB2      OUK  78  -0.168  -5.132  -3.043
  125    HB3  OUK  78           HB3      OUK  78  -1.314  -5.354  -4.343
  126    HG2  OUK  78           HG2      OUK  78  -2.534  -3.239  -3.511
  127    HG3  OUK  78           HG3      OUK  78  -1.468  -3.276  -2.104
  128    HD2  OUK  78           HD2      OUK  78  -2.293  -5.645  -1.620
  129    HD3  OUK  78           HD3      OUK  78  -3.328  -5.538  -3.035
  130    HE2  OUK  78           HE2      OUK  78  -4.840  -5.043  -1.327
  131    HE3  OUK  78           HE3      OUK  78  -4.382  -3.423  -1.878
  132    HZ3  OUK  78           HZ3      OUK  78  -3.428  -4.817   0.587
  133    HZ1  OUK  78           HZ1      OUK  78  -4.405  -3.456   0.519
  134    HZ2  OUK  78           HZ2      OUK  78  -2.815  -3.383   0.071
  135    HM3  OUK  78           HM3      OUK  78   1.666  -5.059  -4.736
  136    HM2  OUK  78           HM2      OUK  78   0.427  -5.309  -5.971
  137    HN2  OUK  78           HN2      OUK  78   1.285  -3.514  -7.246
  138    H    OUR  79           H        OUR  79   2.918  -2.262  -7.977
  139    HA   OUR  79           HA       OUR  79   5.307  -1.963  -6.204
  140    HB3  OUR  79           HB3      OUR  79   5.177  -1.732  -9.259
  141    HB2  OUR  79           HB2      OUR  79   6.536  -1.239  -8.274
  142    HG3  OUR  79           HG3      OUR  79   7.098  -3.363  -9.175
  143    HG2  OUR  79           HG2      OUR  79   6.857  -3.577  -7.455
  144    HD3  OUR  79           HD3      OUR  79   5.951  -5.456  -8.853
  145    HD2  OUR  79           HD2      OUR  79   4.719  -4.720  -7.828
  146    HE   OUR  79           HE       OUR  79   3.584  -4.003  -9.629
  147   HH12  OUR  79          2HH1      OUR  79   6.227  -4.986 -12.558
  148   HH11  OUR  79          1HH1      OUR  79   6.042  -5.961 -11.160
  149   HH22  OUR  79          2HH2      OUR  79   4.847  -3.012 -12.783
  150    HM2  OUR  79           HM2      OUR  79   4.262   0.204  -8.048
  151    HM3  OUR  79           HM3      OUR  79   5.346   0.360  -6.658
  152    HN2  OUR  79           HN2      OUR  79   2.407  -0.196  -6.541
  153   HH21  OUR  79          1HH2      OUR  79   3.638  -2.712 -11.627
  154    H    OUH  80           H        OUH  80   1.236   1.248  -5.473
  155    HA   OUH  80           HA       OUH  80   2.292   2.031  -2.833
  156    HB2  OUH  80           HB2      OUH  80  -0.128   2.572  -4.370
  157    HB3  OUH  80           HB3      OUH  80   0.492   3.387  -2.964
  158    HD2  OUH  80           HD2      OUH  80  -0.388   2.377  -0.489
  159    HD1  OUH  80           HD1      OUH  80  -2.253   0.893  -3.975
  160    HE1  OUH  80           HE1      OUH  80  -3.630   0.271  -1.869
  161    HM2  OUH  80           HM2      OUH  80   0.415  -0.356  -3.169
  162    HM3  OUH  80           HM3      OUH  80   1.064   0.287  -1.659
  163    HN2  OUH  80           HN2      OUH  80   2.710  -1.012  -3.771
  164    H    OUK  81           H        OUK  81   4.379  -2.219  -3.097
  165    HA   OUK  81           HA       OUK  81   5.432  -1.549  -0.384
  166    HB2  OUK  81           HB2      OUK  81   6.879  -3.630  -0.627
  167    HB3  OUK  81           HB3      OUK  81   5.899  -4.096  -2.013
  168    HG2  OUK  81           HG2      OUK  81   3.843  -4.040  -0.475
  169    HG3  OUK  81           HG3      OUK  81   4.930  -3.705   0.872
  170    HD2  OUK  81           HD2      OUK  81   6.146  -5.898   0.349
  171    HD3  OUK  81           HD3      OUK  81   4.971  -6.190  -0.929
  172    HE2  OUK  81           HE2      OUK  81   4.218  -7.442   1.002
  173    HE3  OUK  81           HE3      OUK  81   3.115  -6.062   0.822
  174    HZ3  OUK  81           HZ3      OUK  81   4.380  -4.959   2.657
  175    HZ1  OUK  81           HZ1      OUK  81   5.318  -6.317   2.809
  176    HZ2  OUK  81           HZ2      OUK  81   3.683  -6.404   3.125
  177    HM3  OUK  81           HM3      OUK  81   7.632  -1.398  -1.411
  178    HM2  OUK  81           HM2      OUK  81   7.000  -1.972  -2.964
  179    HN2  OUK  81           HN2      OUK  81   6.117   0.117  -3.421
  180    H    OUI  82           H        OUI  82   5.648   2.242  -3.156
  181    HA   OUI  82           HA       OUI  82   6.239   3.455  -0.498
  182    HB   OUI  82           HB       OUI  82   6.246   5.612  -1.542
  183   3HG1  OUI  82          3HG1      OUI  82   5.615   4.226  -4.209
  184   2HG1  OUI  82          2HG1      OUI  82   4.547   5.309  -3.326
  185   1HG2  OUI  82          1HG2      OUI  82   8.014   3.785  -3.248
  186   2HG2  OUI  82          2HG2      OUI  82   8.336   4.142  -1.544
  187   3HG2  OUI  82          3HG2      OUI  82   8.350   5.448  -2.728
  188   2HD1  OUI  82          2HD1      OUI  82   7.174   6.113  -4.652
  189   3HD1  OUI  82          3HD1      OUI  82   6.221   7.178  -3.593
  190   1HD1  OUI  82          1HD1      OUI  82   5.534   6.581  -5.111
  191    HM2  OUI  82           HM2      OUI  82   3.654   3.804  -2.087
  192    HM3  OUI  82           HM3      OUI  82   4.084   4.667  -0.596
  193    HN2  OUI  82           HN2      OUI  82   3.680   1.725  -0.861
  194    H    OUH  83           H        OUH  83   3.799   0.514   0.910
  195    HA   OUH  83           HA       OUH  83   3.060   1.793   3.478
  196    HB2  OUH  83           HB2      OUH  83   3.109  -0.494   4.388
  197    HB3  OUH  83           HB3      OUH  83   3.625  -1.125   2.835
  198    HD2  OUH  83           HD2      OUH  83   0.956   1.612   2.472
  199    HD1  OUH  83           HD1      OUH  83   1.135  -2.564   3.032
  200    HE1  OUH  83           HE1      OUH  83  -1.246  -1.836   2.315
  201    HM2  OUH  83           HM2      OUH  83   5.155   0.760   4.533
  202    HM3  OUH  83           HM3      OUH  83   5.310   2.268   3.639
  203    HN2  OUH  83           HN2      OUH  83   5.990   0.570   1.719
  204    H    ARG  84           H        ARG  84   8.122   0.608   1.117
  205    HA   ARG  84           HA       ARG  84  10.169   0.071   3.175
  206    HB2  ARG  84           HB2      ARG  84  10.113  -0.796   0.752
  207    HB3  ARG  84           HB3      ARG  84  10.545   0.837   0.237
  208    HG2  ARG  84           HG2      ARG  84  12.640   0.614   1.723
  209    HG3  ARG  84           HG3      ARG  84  12.174  -1.083   1.952
  210    HD2  ARG  84           HD2      ARG  84  12.252  -1.373  -0.540
  211    HD3  ARG  84           HD3      ARG  84  12.818   0.281  -0.697
  212    HE   ARG  84           HE       ARG  84  14.248  -2.005   0.642
  213   HH11  ARG  84          1HH1      ARG  84  16.309   1.322  -0.058
  214   HH12  ARG  84          2HH1      ARG  84  14.612   1.301  -0.514
  215   HH21  ARG  84          1HH2      ARG  84  17.300  -0.602   0.695
  216   HH22  ARG  84          2HH2      ARG  84  16.214  -1.948   1.056
  217    H    LYS  85           H        LYS  85   9.017   2.915   1.474
  218    HA   LYS  85           HA       LYS  85  10.746   4.787   2.876
  219    HB2  LYS  85           HB2      LYS  85  12.281   3.905   1.084
  220    HB3  LYS  85           HB3      LYS  85  11.095   4.377  -0.143
  221    HG2  LYS  85           HG2      LYS  85  11.405   6.713   0.355
  222    HG3  LYS  85           HG3      LYS  85  12.316   6.348   1.829
  223    HD2  LYS  85           HD2      LYS  85  14.199   5.552   0.483
  224    HD3  LYS  85           HD3      LYS  85  13.229   5.689  -1.012
  225    HE2  LYS  85           HE2      LYS  85  14.680   7.614  -0.866
  226    HE3  LYS  85           HE3      LYS  85  13.010   8.128  -0.659
  227    HZ1  LYS  85           HZ1      LYS  85  13.399   8.246   1.754
  228    HZ2  LYS  85           HZ2      LYS  85  15.001   7.786   1.542
  229    HZ3  LYS  85           HZ3      LYS  85  14.437   9.193   0.959
  230    H    ASP  86           H        ASP  86  10.212   6.981   2.304
  231    HA   ASP  86           HA       ASP  86   8.066   7.491   0.433
  232    HB2  ASP  86           HB2      ASP  86   7.157   7.278   2.912
  233    HB3  ASP  86           HB3      ASP  86   7.906   8.850   3.135
  234    H1   HOH 201           H1       HOH  98  -4.497  -3.556  11.113
  235    H2   HOH 201           H2       HOH  98  -4.961  -3.732  12.543
  236    H1   HOH 202           H1       HOH  76   0.348  -3.887   9.991
  237    H2   HOH 202           H2       HOH  76   1.064  -5.159  10.399
  238    H1   HOH 203           H1       HOH 193   3.863   8.792   1.237
  239    H2   HOH 203           H2       HOH 193   3.110  10.102   1.171
  240    H1   HOH 204           H1       HOH 195   5.653  10.904   2.698
  241    H2   HOH 204           H2       HOH 195   5.512  12.361   3.086
  242    H1   HOH 205           H1       HOH  41   3.604  -9.413 -13.437
  243    H2   HOH 205           H2       HOH  41   3.645  -8.060 -12.756
  244    H1   HOH 206           H1       HOH 184   4.312   2.064 -10.873
  245    H2   HOH 206           H2       HOH 184   5.156   1.748 -12.093
  246    H1   HOH 207           H1       HOH 196   6.305  11.963  -0.780
  247    H2   HOH 207           H2       HOH 196   6.866  11.162   0.380
  248    H1   HOH 208           H1       HOH 192   4.314   8.066   4.748
  249    H2   HOH 208           H2       HOH 192   4.736   7.385   3.467
  250    H1   HOH 209           H1       HOH 198  -6.009   5.471   7.588
  251    H2   HOH 209           H2       HOH 198  -6.966   4.765   6.658
  252    H1   HOH 210           H1       HOH 160   0.041   4.863  -9.959
  253    H2   HOH 210           H2       HOH 160  -0.209   6.130  -9.169
  254    H1   HOH 211           H1       HOH 142  -9.728   3.789   7.880
  255    H2   HOH 211           H2       HOH 142 -10.297   2.625   7.098
  256    H1   HOH 212           H1       HOH 123  13.163   2.957   3.232
  257    H2   HOH 212           H2       HOH 123  13.617   4.236   3.901
  258    H1   HOH 213           H1       HOH  68  -0.397  -4.625   1.645
  259    H2   HOH 213           H2       HOH  68  -1.745  -5.221   1.994
  260    H1   HOH 214           H1       HOH 100   4.716  -7.721 -10.535
  261    H2   HOH 214           H2       HOH 100   5.222  -8.285 -11.845
  262    H1   HOH 215           H1       HOH  92  -3.817   4.201   7.570
  263    H2   HOH 215           H2       HOH  92  -3.600   5.577   8.161
  264    H1   HOH 216           H1       HOH 137 -17.608  -3.856  -1.458
  265    H2   HOH 216           H2       HOH 137 -17.983  -4.962  -0.490
  266    H1   HOH 217           H1       HOH  15 -18.100  -5.948   2.262
  267    H2   HOH 217           H2       HOH  15 -18.544  -4.734   3.047
  268    H1   HOH 218           H1       HOH  22 -10.872 -10.429  -1.327
  269    H2   HOH 218           H2       HOH  22 -10.673 -11.916  -1.552
  270    H1   HOH 219           H1       HOH 175   0.467   4.691   2.001
  271    H2   HOH 219           H2       HOH 175   1.965   4.855   1.842
  272    H1   HOH 220           H1       HOH  74 -10.961 -10.540  -3.553
  273    H2   HOH 220           H2       HOH  74 -10.732 -10.726  -5.038
  274    H1   HOH 221           H1       HOH  63   6.313  -3.700   4.498
  275    H2   HOH 221           H2       HOH  63   4.875  -3.676   4.972
  276    H1   HOH 222           H1       HOH 103  14.864  -3.499   2.415
  277    H2   HOH 222           H2       HOH 103  15.322  -4.376   1.265
  278    H1   HOH 223           H1       HOH 134 -15.113   5.467   7.186
  279    H2   HOH 223           H2       HOH 134 -14.920   6.812   6.517
  280    H1   HOH 224           H1       HOH 112  19.528  -1.566   1.153
  281    H2   HOH 224           H2       HOH 112  19.972  -0.336   0.393
  282    H1   HOH 225           H1       HOH  61   6.274  -6.606   4.963
  283    H2   HOH 225           H2       HOH  61   7.082  -6.870   3.709
  284    H1   HOH 226           H1       HOH  25  -3.004 -11.496  -9.879
  285    H2   HOH 226           H2       HOH  25  -3.289 -12.085 -11.243
  286    H1   HOH 227           H1       HOH  75  -3.396 -11.364  -3.265
  287    H2   HOH 227           H2       HOH  75  -2.132 -11.981  -3.829
  288    H1   HOH 228           H1       HOH 139 -16.286  -0.613   2.856
  289    H2   HOH 228           H2       HOH 139 -17.774  -0.358   2.713
  290    H1   HOH 229           H1       HOH  28  -5.428 -16.519  -4.877
  291    H2   HOH 229           H2       HOH  28  -5.196 -17.041  -6.280
  292    H1   HOH 230           H1       HOH 119  16.964   7.801   3.363
  293    H2   HOH 230           H2       HOH 119  16.566   6.467   2.765
  294    H1   HOH 231           H1       HOH  31  -4.880 -16.758  -8.461
  295    H2   HOH 231           H2       HOH  31  -3.427 -16.717  -8.888
  296    H1   HOH 232           H1       HOH 172  -1.706   3.706  -9.715
  297    H2   HOH 232           H2       HOH 172  -0.653   2.787 -10.281
  298    H1   HOH 233           H1       HOH 148  -9.995   9.759   6.152
  299    H2   HOH 233           H2       HOH 148  -9.797   8.431   6.849
  300    H1   HOH 234           H1       HOH 177  -9.456  -1.470  -6.723
  301    H2   HOH 234           H2       HOH 177  -8.120  -0.959  -7.221
  302    H1   HOH 235           H1       HOH 141 -12.643  -1.005  -3.373
  303    H2   HOH 235           H2       HOH 141 -11.194  -1.070  -2.939
  304    H1   HOH 236           H1       HOH   2 -14.110 -10.423  -1.246
  305    H2   HOH 236           H2       HOH   2 -12.835 -10.626  -2.037
  306    H1   HOH 237           H1       HOH 183   3.844   0.084 -11.904
  307    H2   HOH 237           H2       HOH 183   4.314  -0.779 -13.057
  308    H1   HOH 238           H1       HOH  37  -3.635 -15.992  -4.185
  309    H2   HOH 238           H2       HOH  37  -2.635 -16.078  -3.050
  310    H1   HOH 239           H1       HOH 147 -12.246   9.018   6.452
  311    H2   HOH 239           H2       HOH 147 -13.424   9.464   7.296
  312    H1   HOH 240           H1       HOH 106   8.532  -6.695 -10.400
  313    H2   HOH 240           H2       HOH 106   8.661  -5.544 -11.377
  314    H1   HOH 241           H1       HOH  30  -2.277  -9.120  -9.423
  315    H2   HOH 241           H2       HOH  30  -3.419  -8.425 -10.140
  316    H1   HOH 242           H1       HOH  82   8.377  -1.467   5.242
  317    H2   HOH 242           H2       HOH  82   8.968  -2.711   4.620
  318    H1   HOH 243           H1       HOH 168  -1.637  -0.856 -12.489
  319    H2   HOH 243           H2       HOH 168  -2.318  -2.173 -12.169
  320    H1   HOH 244           H1       HOH 173  -4.845  -0.090  -9.955
  321    H2   HOH 244           H2       HOH 173  -6.229   0.506 -10.057
  322    H1   HOH 245           H1       HOH  79   3.737  -8.184  -6.212
  323    H2   HOH 245           H2       HOH  79   2.868  -8.041  -7.444
  324    H1   HOH 246           H1       HOH  69   2.324  -4.909   5.247
  325    H2   HOH 246           H2       HOH  69   1.700  -6.285   5.230
  326    H1   HOH 247           H1       HOH 166 -11.353  -7.639  -6.637
  327    H2   HOH 247           H2       HOH 166  -9.900  -7.299  -6.387
  328    H1   HOH 248           H1       HOH 162  -3.567   1.834  -5.659
  329    H2   HOH 248           H2       HOH 162  -3.294   0.755  -6.681
  330    H1   HOH 249           H1       HOH 150  -2.564  -4.701 -12.474
  331    H2   HOH 249           H2       HOH 150  -1.680  -4.117 -13.555
  332    H1   HOH 250           H1       HOH  46   5.292  -9.773   2.685
  333    H2   HOH 250           H2       HOH  46   5.327  -8.597   3.639
  334    H1   HOH 251           H1       HOH  52   1.411  -5.409   3.075
  335    H2   HOH 251           H2       HOH  52   1.087  -6.200   1.822
  336    H1   HOH 252           H1       HOH  99   9.982   0.520   6.327
  337    H2   HOH 252           H2       HOH  99  10.266  -0.786   7.036
  338    H1   HOH 253           H1       HOH  96   9.654   2.544   7.633
  339    H2   HOH 253           H2       HOH  96   8.404   2.437   6.790
  340    H1   HOH 254           H1       HOH 126 -14.689   9.288   3.798
  341    H2   HOH 254           H2       HOH 126 -13.762   8.715   4.848
  342    H1   HOH 255           H1       HOH 181  -0.406   3.901   3.667
  343    H2   HOH 255           H2       HOH 181  -1.662   3.609   2.872
  344    H1   HOH 256           H1       HOH  55  -1.467  -8.322  -3.357
  345    H2   HOH 256           H2       HOH  55  -2.139  -7.652  -4.536
  346    H1   HOH 257           H1       HOH   3 -14.581 -10.076  -3.572
  347    H2   HOH 257           H2       HOH   3 -15.797  -9.477  -4.252
  348    H1   HOH 258           H1       HOH  93  -0.290  -3.718  12.630
  349    H2   HOH 258           H2       HOH  93   1.071  -3.823  11.980
  350    H1   HOH 259           H1       HOH 133 -12.492   7.772   1.561
  351    H2   HOH 259           H2       HOH 133 -13.296   7.486   2.812
  352    H1   HOH 260           H1       HOH 199   6.488  -5.771 -15.830
  353    H2   HOH 260           H2       HOH 199   6.037  -6.810 -14.827
  354    H1   HOH 261           H1       HOH  35  -1.211 -10.970  -9.911
  355    H2   HOH 261           H2       HOH  35  -0.987 -10.722  -8.430
  356    H1   HOH 262           H1       HOH 197  10.510  12.411   3.110
  357    H2   HOH 262           H2       HOH 197  10.840  12.246   1.644
  358    H1   HOH 263           H1       HOH 151  -4.191  -5.795 -12.577
  359    H2   HOH 263           H2       HOH 151  -3.924  -7.004 -11.704
  360    H1   HOH 264           H1       HOH  53  -3.509  -6.417   3.028
  361    H2   HOH 264           H2       HOH  53  -2.681  -7.613   2.607
  362    H1   HOH 265           H1       HOH 178  -6.985  -1.625 -10.269
  363    H2   HOH 265           H2       HOH 178  -8.125  -1.678 -11.262
  364    H1   HOH 266           H1       HOH  50   9.031  -6.105   2.553
  365    H2   HOH 266           H2       HOH  50   8.034  -5.031   2.195
  366    H1   HOH 267           H1       HOH 190   4.156  10.466   5.928
  367    H2   HOH 267           H2       HOH 190   4.951  10.322   4.649
  368    H1   HOH 268           H1       HOH   9 -15.543  -7.004   4.560
  369    H2   HOH 268           H2       HOH   9 -16.264  -6.106   3.576
  370    H1   HOH 269           H1       HOH 127 -19.998  -2.998   1.736
  371    H2   HOH 269           H2       HOH 127 -20.619  -3.418   3.051
  372    H1   HOH 270           H1       HOH 140 -14.332   0.093   2.931
  373    H2   HOH 270           H2       HOH 140 -14.072  -0.672   4.215
  374    H1   HOH 271           H1       HOH  27  -5.157 -15.529 -10.298
  375    H2   HOH 271           H2       HOH  27  -5.451 -15.782 -11.761
  376    H1   HOH 272           H1       HOH 191  -1.763   7.243   8.740
  377    H2   HOH 272           H2       HOH 191  -1.314   5.802   8.658
  378    H1   HOH 273           H1       HOH  81   6.016  -0.318   6.520
  379    H2   HOH 273           H2       HOH  81   5.174   0.057   7.721
  380    H1   HOH 274           H1       HOH 155   0.459  -4.772 -14.331
  381    H2   HOH 274           H2       HOH 155  -0.264  -4.097 -15.477
  382    H1   HOH 275           H1       HOH  17 -15.042   1.833   7.195
  383    H2   HOH 275           H2       HOH  17 -13.733   2.076   7.917
  384    H1   HOH 276           H1       HOH 152  -7.161  -5.005 -11.128
  385    H2   HOH 276           H2       HOH 152  -7.883  -3.915 -10.367
  386    H1   HOH 277           H1       HOH  12 -12.731   3.407   9.896
  387    H2   HOH 277           H2       HOH  12 -12.074   3.208   8.546
  388    H1   HOH 278           H1       HOH 116  10.405  -1.110  -3.018
  389    H2   HOH 278           H2       HOH 116   9.910   0.247  -2.564
  390    H1   HOH 279           H1       HOH 187   5.487   4.525  -7.474
  391    H2   HOH 279           H2       HOH 187   5.854   4.564  -8.944
  392    H1   HOH 280           H1       HOH  91   7.723   6.692   6.139
  393    H2   HOH 280           H2       HOH  91   8.514   6.500   4.863
  394    H1   HOH 281           H1       HOH  89   1.199   5.200   8.565
  395    H2   HOH 281           H2       HOH  89   0.316   4.097   9.111
  396    H1   HOH 282           H1       HOH 136 -12.775   5.462   1.382
  397    H2   HOH 282           H2       HOH 136 -13.802   4.384   1.106
  398    H1   HOH 283           H1       HOH  88   6.308   4.120   6.646
  399    H2   HOH 283           H2       HOH  88   7.727   4.550   6.343
  400    H1   HOH 284           H1       HOH  71  -4.513 -14.384  -2.637
  401    H2   HOH 284           H2       HOH  71  -5.484 -13.220  -2.653
  402    H1   HOH 285           H1       HOH  57  -6.883 -11.280  -2.567
  403    H2   HOH 285           H2       HOH  57  -5.490 -10.977  -3.073
  404    H1   HOH 286           H1       HOH 146  -8.045   6.853   7.404
  405    H2   HOH 286           H2       HOH 146  -8.196   7.919   8.469
  406    H1   HOH 287           H1       HOH 122  17.909   4.205  -0.457
  407    H2   HOH 287           H2       HOH 122  17.171   5.447  -0.003
  408    H1   HOH 288           H1       HOH 182   1.941   2.082 -13.695
  409    H2   HOH 288           H2       HOH 182   2.598   0.717 -13.642
  410    H1   HOH 289           H1       HOH 180  -2.813   0.008 -10.689
  411    H2   HOH 289           H2       HOH 180  -2.740   1.378 -10.042
  412    H1   HOH 290           H1       HOH  66   1.452  -8.358   0.442
  413    H2   HOH 290           H2       HOH  66   0.083  -7.766   0.705
  414    H1   HOH 291           H1       HOH 194   4.920  12.110  -2.797
  415    H2   HOH 291           H2       HOH 194   4.128  11.304  -1.790
  416    H1   HOH 292           H1       HOH 111  11.729  -1.046   5.244
  417    H2   HOH 292           H2       HOH 111  13.212  -0.845   5.012
  418    H1   HOH 293           H1       HOH  83   9.268  -3.443   0.912
  419    H2   HOH 293           H2       HOH  83   9.026  -3.033   2.350
  420    H1   HOH 294           H1       HOH 154  -5.736  -8.518 -10.679
  421    H2   HOH 294           H2       HOH 154  -4.908  -9.193 -11.753
  422    H1   HOH 295           H1       HOH   5 -13.260  -0.045   7.564
  423    H2   HOH 295           H2       HOH   5 -12.254  -0.316   8.661
  424    H1   HOH 296           H1       HOH 110   8.260  -9.295 -10.855
  425    H2   HOH 296           H2       HOH 110   7.155  -8.284 -10.634
  426    H1   HOH 297           H1       HOH 179 -11.223  -2.972  -7.306
  427    H2   HOH 297           H2       HOH 179 -11.445  -1.812  -8.253
  428    H1   HOH 298           H1       HOH  14 -19.155  -7.493   0.853
  429    H2   HOH 298           H2       HOH  14 -17.915  -7.046   0.103
  430    H1   HOH 299           H1       HOH 167  -5.363   5.849   2.760
  431    H2   HOH 299           H2       HOH 167  -4.955   4.454   2.336
  432    H1   HOH 300           H1       HOH  39  -8.598 -15.469  -9.332
  433    H2   HOH 300           H2       HOH  39  -7.171 -15.606  -9.819
  434    H1   HOH 301           H1       HOH  42   3.295  -9.075   4.530
  435    H2   HOH 301           H2       HOH  42   2.590  -9.124   5.871
  436    H1   HOH 302           H1       HOH  48  -2.250  -8.391  -0.106
  437    H2   HOH 302           H2       HOH  48  -1.922  -7.216   0.787
  438    H1   HOH 303           H1       HOH  47   5.443  -6.585  -5.717
  439    H2   HOH 303           H2       HOH  47   6.053  -7.728  -6.499
  440    H1   HOH 304           H1       HOH  34  -6.189 -15.620  -3.019
  441    H2   HOH 304           H2       HOH  34  -7.334 -15.597  -4.008
  442    H1   HOH 305           H1       HOH 102  11.598  -3.306  -0.294
  443    H2   HOH 305           H2       HOH 102  10.361  -3.991  -0.823
  444    H1   HOH 306           H1       HOH  32 -12.894  -9.346  -7.301
  445    H2   HOH 306           H2       HOH  32 -11.835  -9.092  -8.353
  446    H1   HOH 307           H1       HOH 161   4.885   7.484  -9.362
  447    H2   HOH 307           H2       HOH 161   3.867   6.401  -9.629
  448    H1   HOH 308           H1       HOH  13 -12.570  -4.255   4.151
  449    H2   HOH 308           H2       HOH  13 -12.400  -3.379   5.377
  450    H1   HOH 309           H1       HOH  40  -1.647  -8.369 -13.392
  451    H2   HOH 309           H2       HOH  40  -1.947  -8.150 -11.923
  452    H1   HOH 310           H1       HOH 143 -11.692   1.993  -4.929
  453    H2   HOH 310           H2       HOH 143 -11.323   0.743  -5.699
  454    H1   HOH 311           H1       HOH  73  -6.587  -6.079   8.690
  455    H2   HOH 311           H2       HOH  73  -5.703  -5.681   7.526
  456    H1   HOH 312           H1       HOH  10  -7.646  -5.382  10.814
  457    H2   HOH 312           H2       HOH  10  -6.282  -4.756  10.621
  458    H1   HOH 313           H1       HOH 125 -14.999   0.825  -0.066
  459    H2   HOH 313           H2       HOH 125 -15.786   0.307   1.119
  460    H1   HOH 314           H1       HOH 174   1.507   6.576   0.570
  461    H2   HOH 314           H2       HOH 174   2.110   7.907   0.167
  462    H1   HOH 315           H1       HOH  33  -7.353 -13.215  -4.269
  463    H2   HOH 315           H2       HOH  33  -7.786 -13.819  -5.588
  464    H1   HOH 316           H1       HOH 118  14.290   0.737   6.366
  465    H2   HOH 316           H2       HOH 118  15.187   0.801   5.147
  466    H1   HOH 317           H1       HOH 107  15.033  -3.115   4.652
  467    H2   HOH 317           H2       HOH 107  13.591  -2.796   4.319
  468    H1   HOH 318           H1       HOH  60   0.023 -10.899  -4.261
  469    H2   HOH 318           H2       HOH  60   0.257 -12.359  -3.945
  470    H1   HOH 319           H1       HOH 157  -0.419   5.051  -5.521
  471    H2   HOH 319           H2       HOH 157  -1.754   5.279  -6.195
  472    H1   HOH 320           H1       HOH  59  10.755  -3.853   3.378
  473    H2   HOH 320           H2       HOH  59  11.211  -2.546   3.995
  474    H1   HOH 321           H1       HOH   8  -7.805  -6.822   6.932
  475    H2   HOH 321           H2       HOH   8  -9.032  -5.955   6.753
  476    H1   HOH 322           H1       HOH 188 -11.297  -5.344  -6.595
  477    H2   HOH 322           H2       HOH 188 -12.595  -5.089  -7.329
  478    H1   HOH 323           H1       HOH 120  16.768   4.515   1.854
  479    H2   HOH 323           H2       HOH 120  15.571   4.268   2.753
  480    H1   HOH 324           H1       HOH   7 -12.270  -6.745   3.470
  481    H2   HOH 324           H2       HOH   7 -13.669  -6.161   3.433
  482    H1   HOH 325           H1       HOH  29  -6.701 -18.360  -7.555
  483    H2   HOH 325           H2       HOH  29  -6.883 -16.955  -8.094
  484    H1   HOH 326           H1       HOH  54  -3.579  -9.211  -2.954
  485    H2   HOH 326           H2       HOH  54  -3.941  -9.687  -1.561
  486    H1   HOH 327           H1       HOH  78   3.541  -2.462   9.119
  487    H2   HOH 327           H2       HOH  78   2.445  -3.511   9.108
  488    H1   HOH 328           H1       HOH 189   6.028   8.646   6.319
  489    H2   HOH 328           H2       HOH 189   5.738   7.257   5.803
  490    H1   HOH 329           H1       HOH 138 -14.824  -5.486  -6.387
  491    H2   HOH 329           H2       HOH 138 -14.639  -4.368  -5.377
  492    H1   HOH 330           H1       HOH  65   4.282  -1.798   6.192
  493    H2   HOH 330           H2       HOH  65   3.585  -2.938   6.905
  494    H1   HOH 331           H1       HOH  21  -8.999  -3.769   7.748
  495    H2   HOH 331           H2       HOH  21 -10.383  -3.926   7.150
  496    H1   HOH 332           H1       HOH  38   1.266 -10.342  -7.717
  497    H2   HOH 332           H2       HOH  38   0.418 -10.240  -6.469
  498    H1   HOH 333           H1       HOH   4 -14.266 -10.364  -5.936
  499    H2   HOH 333           H2       HOH   4 -14.347 -11.438  -7.002
  500    H1   HOH 334           H1       HOH 117  15.324   2.613   4.001
  501    H2   HOH 334           H2       HOH 117  16.797   2.695   4.344
  502    H1   HOH 335           H1       HOH 145 -11.088   3.312  -1.184
  503    H2   HOH 335           H2       HOH 145 -11.726   4.382  -0.321
  504    H1   HOH 336           H1       HOH  26  -7.755 -13.495 -12.453
  505    H2   HOH 336           H2       HOH  26  -6.936 -13.940 -11.260
  506    H1   HOH 337           H1       HOH  94   4.156   1.350   6.460
  507    H2   HOH 337           H2       HOH  94   3.497   2.393   7.340
  508    H1   HOH 338           H1       HOH 135 -15.949   4.338   9.018
  509    H2   HOH 338           H2       HOH 135 -17.223   4.635   8.257
  510    H1   HOH 339           H1       HOH 153  -8.725  -6.215  -9.795
  511    H2   HOH 339           H2       HOH 153 -10.128  -6.764  -9.932
  512    H1   HOH 340           H1       HOH 163   2.527   9.368  -2.325
  513    H2   HOH 340           H2       HOH 163   2.961   9.679  -0.907
  514    H1   HOH 341           H1       HOH 124 -14.466  -6.495  -8.407
  515    H2   HOH 341           H2       HOH 124 -13.351  -7.195  -7.657
  516    H1   HOH 342           H1       HOH 144 -13.379   0.444  -4.400
  517    H2   HOH 342           H2       HOH 144 -14.514  -0.524  -4.659
  518    H1   HOH 343           H1       HOH  24  -7.974  -8.169  -9.724
  519    H2   HOH 343           H2       HOH  24  -7.737  -9.624 -10.082
  520    H1   HOH 344           H1       HOH  84  -9.210 -13.801  -1.225
  521    H2   HOH 344           H2       HOH  84  -9.848 -13.388   0.085
  522    H1   HOH 345           H1       HOH 171   1.237   6.257  -4.636
  523    H2   HOH 345           H2       HOH 171   1.659   6.653  -6.038
  524    H1   HOH 346           H1       HOH 132 -12.619  -3.581  -5.633
  525    H2   HOH 346           H2       HOH 132 -12.739  -2.765  -4.361
  526    H1   HOH 347           H1       HOH  56  -2.116  -7.388   7.684
  527    H2   HOH 347           H2       HOH  56  -3.217  -7.966   6.823
  528    H1   HOH 348           H1       HOH  62   1.911 -10.611   2.301
  529    H2   HOH 348           H2       HOH  62   3.336 -10.100   2.246
  530    H1   HOH 349           H1       HOH 149  -4.292  -3.910 -13.312
  531    H2   HOH 349           H2       HOH 149  -5.498  -4.110 -14.205
  532    H1   HOH 350           H1       HOH   1 -18.025  -8.684  -4.388
  533    H2   HOH 350           H2       HOH   1 -17.198  -7.478  -3.989
  534    H1   HOH 351           H1       HOH 185 -10.560   4.188  -4.220
  535    H2   HOH 351           H2       HOH 185 -10.180   3.243  -5.341
  536    H1   HOH 352           H1       HOH  97   4.493   5.514   5.406
  537    H2   HOH 352           H2       HOH  97   4.250   4.084   5.857
  538    H1   HOH 353           H1       HOH 113  11.400  -1.885  -4.653
  539    H2   HOH 353           H2       HOH 113  10.170  -2.481  -5.306
  540    H1   HOH 354           H1       HOH 115   9.004  -5.297  -8.858
  541    H2   HOH 354           H2       HOH 115   9.818  -5.948  -7.760
  542    H1   HOH 355           H1       HOH 129 -17.330  -4.841  -3.451
  543    H2   HOH 355           H2       HOH 129 -16.363  -5.507  -4.408
  544    H1   HOH 356           H1       HOH 104  16.021  -6.724   1.355
  545    H2   HOH 356           H2       HOH 104  15.848  -6.330  -0.096
  546    H1   HOH 357           H1       HOH  16 -16.979  -6.590  -2.054
  547    H2   HOH 357           H2       HOH  16 -17.115  -8.088  -1.942
  548    H1   HOH 358           H1       HOH 164  -0.002   6.502  -0.626
  549    H2   HOH 358           H2       HOH 164  -1.466   6.867  -0.752
  550    H1   HOH 359           H1       HOH 109  10.016  -3.314  -3.167
  551    H2   HOH 359           H2       HOH 109   9.088  -4.499  -2.985
  552    H1   HOH 360           H1       HOH 121  16.737  -2.014   6.368
  553    H2   HOH 360           H2       HOH 121  15.572  -1.291   5.727
  554    H1   HOH 361           H1       HOH  77   1.669  -9.065  -5.372
  555    H2   HOH 361           H2       HOH  77   0.805  -8.904  -4.135
  556    H1   HOH 362           H1       HOH 105  20.068   3.977  -1.779
  557    H2   HOH 362           H2       HOH 105  18.929   4.655  -2.507
  558    H1   HOH 363           H1       HOH 128 -18.254   0.048  -2.312
  559    H2   HOH 363           H2       HOH 128 -16.766  -0.114  -2.093
  560    H1   HOH 364           H1       HOH 130 -18.476  -3.011  -3.843
  561    H2   HOH 364           H2       HOH 130 -17.703  -2.263  -2.777
  562    H1   HOH 365           H1       HOH 170   0.352   6.279  -2.624
  563    H2   HOH 365           H2       HOH 170   1.649   6.777  -2.025
  564    H1   HOH 366           H1       HOH  11 -11.032  -8.649   6.506
  565    H2   HOH 366           H2       HOH  11  -9.792  -7.984   5.947
  566    H1   HOH 367           H1       HOH  44  -5.390  -7.868   7.468
  567    H2   HOH 367           H2       HOH  44  -5.301  -9.379   7.525
  568    H1   HOH 368           H1       HOH  64   6.343 -11.750   1.844
  569    H2   HOH 368           H2       HOH  64   7.241 -10.616   1.395
  570    H1   HOH 369           H1       HOH  85   0.789   2.133  11.305
  571    H2   HOH 369           H2       HOH  85   0.741   3.645  11.358
  572    H1   HOH 370           H1       HOH  43   0.671  -8.770   2.554
  573    H2   HOH 370           H2       HOH  43   0.970  -9.224   3.971
  574    H1   HOH 371           H1       HOH  72   2.277  -9.998   0.026
  575    H2   HOH 371           H2       HOH  72   2.826  -9.709  -1.356
  576    H1   HOH 372           H1       HOH 156  -1.472  -7.515 -15.725
  577    H2   HOH 372           H2       HOH 156  -1.126  -6.390 -14.771
  578    H1   HOH 373           H1       HOH   6 -12.563  -3.686   7.824
  579    H2   HOH 373           H2       HOH   6 -12.217  -2.292   7.342
  580    H1   HOH 374           H1       HOH  67  -0.533  -8.064  -1.533
  581    H2   HOH 374           H2       HOH  67   0.716  -8.869  -1.828
  582    H1   HOH 375           H1       HOH  36  -9.518 -11.155 -10.928
  583    H2   HOH 375           H2       HOH  36  -8.188 -11.853 -10.773
  584    H1   HOH 376           H1       HOH  49  -3.240  -9.578   1.118
  585    H2   HOH 376           H2       HOH  49  -4.661  -9.397   0.632
  586    H1   HOH 377           H1       HOH  45  -1.383  -9.420   2.944
  587    H2   HOH 377           H2       HOH  45  -2.715 -10.032   3.327
  588    H1   HOH 378           H1       HOH  23  -1.194 -10.339 -12.029
  589    H2   HOH 378           H2       HOH  23  -0.106 -11.382 -12.185
  590    H1   HOH 379           H1       HOH  95   6.086   1.742   9.194
  591    H2   HOH 379           H2       HOH  95   4.572   1.762   9.244
  592    H1   HOH 380           H1       HOH 101  12.469  -0.079  -5.392
  593    H2   HOH 380           H2       HOH 101  13.631  -1.032  -5.574
  594    H1   HOH 381           H1       HOH 131 -14.867   0.576  -2.527
  595    H2   HOH 381           H2       HOH 131 -15.295   1.953  -2.064
  596    H1   HOH 382           H1       HOH  80   6.471  -9.108  -3.244
  597    H2   HOH 382           H2       HOH  80   5.541  -8.190  -4.011
  598    H1   HOH 383           H1       HOH 108  11.879  -5.768   2.233
  599    H2   HOH 383           H2       HOH 108  10.974  -4.907   1.373
  600    H1   HOH 384           H1       HOH 176  -8.428   2.068  -6.830
  601    H2   HOH 384           H2       HOH 176  -8.228   3.497  -6.371
  602    H1   HOH 385           H1       HOH  87   4.717  -0.400   9.833
  603    H2   HOH 385           H2       HOH  87   4.453  -1.235  11.068
  604    H1   HOH 386           H1       HOH 186   3.417   8.561  -6.452
  605    H2   HOH 386           H2       HOH 186   3.207   7.608  -7.611
  606    H1   HOH 387           H1       HOH  20  -9.535 -10.116   5.368
  607    H2   HOH 387           H2       HOH  20  -8.185 -10.118   4.685
  608    H1   HOH 388           H1       HOH 114   9.467  -2.135  -7.750
  609    H2   HOH 388           H2       HOH 114   9.489  -3.566  -7.255
  610    H1   HOH 389           H1       HOH 158 -10.674   6.357  -3.184
  611    H2   HOH 389           H2       HOH 158 -10.359   5.146  -2.330
  612    H1   HOH 390           H1       HOH  86   2.529   2.781   9.786
  613    H2   HOH 390           H2       HOH  86   3.228   3.828   8.943
  614    H1   HOH 391           H1       HOH  18 -10.688 -14.422   2.214
  615    H2   HOH 391           H2       HOH  18  -9.184 -14.244   2.176
  616    H1   HOH 392           H1       HOH  90   3.268   6.334   8.623
  617    H2   HOH 392           H2       HOH  90   3.568   5.313   7.548
  618    H1   HOH 393           H1       HOH 159  -6.297   5.172  -6.611
  619    H2   HOH 393           H2       HOH 159  -7.081   4.996  -5.328
  620    H1   HOH 394           H1       HOH  70  -2.299 -11.891   4.631
  621    H2   HOH 394           H2       HOH  70  -3.758 -11.675   4.964
  622    H1   HOH 395           H1       HOH 165  -7.078   6.284  -3.153
  623    H2   HOH 395           H2       HOH 165  -8.379   5.639  -3.589
  624    H1   HOH 396           H1       HOH 169   5.367  10.851  -6.859
  625    H2   HOH 396           H2       HOH 169   5.854  10.121  -5.626
  626    H1   HOH 397           H1       HOH  51  -4.779 -12.884   6.978
  627    H2   HOH 397           H2       HOH  51  -5.724 -12.683   5.813
  628    H1   HOH 398           H1       HOH  19  -7.923 -12.219   5.345
  629    H2   HOH 398           H2       HOH  19  -7.679 -13.510   4.589
  630    H1   HOH 399           H1       HOH  58  -7.503 -15.502   3.371
  631    H2   HOH 399           H2       HOH  58  -6.868 -14.379   2.581
  Start of MODEL    2
    1    HA   PRO  62           HA       PRO  62 -10.708  -6.579  -3.642
    2    HB2  PRO  62           HB2      PRO  62 -12.063  -5.377  -1.373
    3    HB3  PRO  62           HB3      PRO  62 -11.883  -4.770  -3.040
    4    HG2  PRO  62           HG2      PRO  62 -14.130  -6.414  -1.837
    5    HG3  PRO  62           HG3      PRO  62 -14.234  -5.095  -3.046
    6    HD2  PRO  62           HD2      PRO  62 -14.436  -7.602  -3.920
    7    HD3  PRO  62           HD3      PRO  62 -13.299  -6.516  -4.762
    8    H    PHE  63           H        PHE  63  -9.326  -5.880  -1.742
    9    HA   PHE  63           HA       PHE  63  -9.560  -7.504   0.711
   10    HB2  PHE  63           HB2      PHE  63  -7.881  -8.545  -1.016
   11    HB3  PHE  63           HB3      PHE  63  -6.846  -7.194  -0.598
   12    HD1  PHE  63           HD1      PHE  63  -8.465 -10.305   0.580
   13    HD2  PHE  63           HD2      PHE  63  -5.800  -7.093   1.668
   14    HE1  PHE  63           HE1      PHE  63  -7.669 -11.620   2.525
   15    HE2  PHE  63           HE2      PHE  63  -5.038  -8.401   3.642
   16    HZ   PHE  63           HZ       PHE  63  -5.934 -10.677   4.045
   17    H    ALA  64           H        ALA  64  -8.475  -6.418   2.561
   18    HA   ALA  64           HA       ALA  64  -8.295  -3.482   2.077
   19    HB1  ALA  64           HB1      ALA  64  -9.009  -5.006   4.590
   20    HB2  ALA  64           HB2      ALA  64  -8.912  -3.235   4.431
   21    HB3  ALA  64           HB3      ALA  64 -10.134  -4.143   3.513
   22    H    CYS  65           H        CYS  65  -6.715  -2.227   2.986
   23    HA   CYS  65           HA       CYS  65  -4.155  -3.494   3.726
   24    HB2  CYS  65           HB2      CYS  65  -5.106  -0.632   3.616
   25    HB3  CYS  65           HB3      CYS  65  -3.420  -1.142   3.907
   26    H    ASP  66           H        ASP  66  -3.389  -3.588   5.762
   27    HA   ASP  66           HA       ASP  66  -4.738  -2.761   8.173
   28    HB2  ASP  66           HB2      ASP  66  -3.025  -4.512   8.088
   29    HB3  ASP  66           HB3      ASP  66  -1.839  -3.379   7.467
   30    H    ILE  67           H        ILE  67  -1.790  -1.447   6.712
   31    HA   ILE  67           HA       ILE  67  -1.657   0.889   8.119
   32    HB   ILE  67           HB       ILE  67  -0.630   0.232   5.342
   33   HG12  ILE  67          2HG1      ILE  67   0.178  -1.340   7.019
   34   HG13  ILE  67          3HG1      ILE  67   1.479  -0.329   6.434
   35   HG21  ILE  67          HG21      ILE  67   0.261   2.525   7.118
   36   HG22  ILE  67          HG22      ILE  67   1.157   1.925   5.701
   37   HG23  ILE  67          HG23      ILE  67  -0.451   2.628   5.502
   38   HD11  ILE  67          1HD1      ILE  67   1.341   1.043   8.523
   39   HD12  ILE  67          2HD1      ILE  67   0.067  -0.043   9.126
   40   HD13  ILE  67          3HD1      ILE  67   1.696  -0.660   8.830
   41    H    CYS  68           H        CYS  68  -3.710   0.562   5.275
   42    HA   CYS  68           HA       CYS  68  -4.234   3.508   5.301
   43    HB2  CYS  68           HB2      CYS  68  -4.986   1.339   3.317
   44    HB3  CYS  68           HB3      CYS  68  -5.766   2.905   3.367
   45    H    GLY  69           H        GLY  69  -5.613   0.476   6.505
   46    HA2  GLY  69           HA2      GLY  69  -7.714  -0.141   7.146
   47    HA3  GLY  69           HA3      GLY  69  -7.981   1.558   7.554
   48    H    ARG  70           H        ARG  70  -7.414   0.325   4.260
   49    HA   ARG  70           HA       ARG  70 -10.202   0.998   3.433
   50    HB2  ARG  70           HB2      ARG  70  -7.656   2.076   2.151
   51    HB3  ARG  70           HB3      ARG  70  -9.252   2.218   1.432
   52    HG2  ARG  70           HG2      ARG  70  -8.360   3.501   4.039
   53    HG3  ARG  70           HG3      ARG  70  -8.548   4.312   2.480
   54    HD2  ARG  70           HD2      ARG  70 -10.959   3.851   2.526
   55    HD3  ARG  70           HD3      ARG  70 -10.788   2.958   4.015
   56    HE   ARG  70           HE       ARG  70  -9.976   5.830   3.937
   57   HH11  ARG  70          1HH1      ARG  70 -11.127   7.254   5.311
   58   HH12  ARG  70          2HH1      ARG  70 -12.644   6.695   5.980
   59   HH21  ARG  70          1HH2      ARG  70 -12.250   3.473   5.236
   60   HH22  ARG  70          2HH2      ARG  70 -13.247   4.725   5.938
   61    H    LYS  71           H        LYS  71 -10.891   0.157   1.441
   62    HA   LYS  71           HA       LYS  71  -9.779  -2.495   0.783
   63    HB2  LYS  71           HB2      LYS  71 -12.244  -0.986  -0.187
   64    HB3  LYS  71           HB3      LYS  71 -11.772  -2.601  -0.740
   65    HG2  LYS  71           HG2      LYS  71 -11.976  -3.503   1.534
   66    HG3  LYS  71           HG3      LYS  71 -12.432  -1.889   2.138
   67    HD2  LYS  71           HD2      LYS  71 -14.391  -1.865   0.628
   68    HD3  LYS  71           HD3      LYS  71 -13.961  -3.469   0.011
   69    HE2  LYS  71           HE2      LYS  71 -14.345  -4.494   2.158
   70    HE3  LYS  71           HE3      LYS  71 -14.470  -2.922   2.967
   71    HZ1  LYS  71           HZ1      LYS  71 -16.527  -2.500   1.862
   72    HZ2  LYS  71           HZ2      LYS  71 -16.405  -3.818   0.894
   73    HZ3  LYS  71           HZ3      LYS  71 -16.630  -4.019   2.489
   74    H    PHE  72           H        PHE  72  -8.778  -3.081  -0.970
   75    HA   PHE  72           HA       PHE  72  -8.788  -1.440  -3.449
   76    HB2  PHE  72           HB2      PHE  72  -6.341  -2.416  -1.927
   77    HB3  PHE  72           HB3      PHE  72  -6.292  -1.939  -3.616
   78    HD1  PHE  72           HD1      PHE  72  -6.738   0.394  -4.324
   79    HD2  PHE  72           HD2      PHE  72  -6.437  -0.689  -0.152
   80    HE1  PHE  72           HE1      PHE  72  -6.437   2.779  -3.723
   81    HE2  PHE  72           HE2      PHE  72  -6.125   1.712   0.433
   82    HZ   PHE  72           HZ       PHE  72  -6.130   3.441  -1.350
   83    H    ALA  73           H        ALA  73  -7.828  -2.697  -5.274
   84    HA   ALA  73           HA       ALA  73  -8.724  -5.481  -5.337
   85    HB1  ALA  73           HB1      ALA  73  -9.127  -3.950  -7.212
   86    HB2  ALA  73           HB2      ALA  73  -7.382  -3.733  -7.446
   87    HB3  ALA  73           HB3      ALA  73  -8.144  -5.321  -7.714
   88    H    ARG  74           H        ARG  74  -6.140  -5.511  -7.312
   89    HA   ARG  74           HA       ARG  74  -4.402  -6.979  -5.359
   90    HB2  ARG  74           HB2      ARG  74  -6.120  -8.424  -6.619
   91    HB3  ARG  74           HB3      ARG  74  -5.192  -8.080  -8.088
   92    HG2  ARG  74           HG2      ARG  74  -3.155  -9.065  -6.953
   93    HG3  ARG  74           HG3      ARG  74  -4.169  -9.395  -5.536
   94    HD2  ARG  74           HD2      ARG  74  -5.708 -10.719  -7.117
   95    HD3  ARG  74           HD3      ARG  74  -4.392 -10.611  -8.312
   96    HE   ARG  74           HE       ARG  74  -3.695 -11.602  -5.612
   97   HH11  ARG  74          1HH1      ARG  74  -3.967 -14.877  -6.138
   98   HH12  ARG  74          2HH1      ARG  74  -3.462 -13.590  -5.076
   99   HH21  ARG  74          1HH2      ARG  74  -4.477 -12.760  -8.830
  100   HH22  ARG  74          2HH2      ARG  74  -4.375 -14.413  -8.277
  101    H    SER  75           H        SER  75  -4.607  -5.889  -8.723
  102    HA   SER  75           HA       SER  75  -3.192  -4.675 -10.030
  103    HB2  SER  75           HB2      SER  75  -3.183  -3.098  -7.448
  104    HB3  SER  75           HB3      SER  75  -2.892  -2.467  -9.085
  105    HG   SER  75           HG       SER  75  -4.995  -2.176  -8.961
  106    H    OUD  76           H        OUD  76  -1.461  -6.308 -10.220
  107    HA   OUD  76           HA       OUD  76   1.139  -5.276  -9.198
  108    HB3  OUD  76           HB3      OUD  76   0.828  -7.741  -9.337
  109    HB2  OUD  76           HB2      OUD  76   0.568  -7.617 -11.072
  110    HM3  OUD  76           HM3      OUD  76   1.947  -4.853 -11.510
  111    HM2  OUD  76           HM2      OUD  76   0.362  -5.299 -12.157
  112    HN2  OUD  76           HN2      OUD  76  -0.500  -3.252 -11.463
  113    H    OUE  77           H        OUE  77  -0.707  -1.421 -10.239
  114    HA   OUE  77           HA       OUE  77   1.582  -0.763  -8.443
  115    HB3  OUE  77           HB3      OUE  77   1.900   0.413 -10.595
  116    HB2  OUE  77           HB2      OUE  77   0.289   1.077 -10.507
  117    HG3  OUE  77           HG3      OUE  77   1.004   2.379  -8.422
  118    HG2  OUE  77           HG2      OUE  77   2.625   1.711  -8.617
  119    HM2  OUE  77           HM2      OUE  77  -1.223   0.429  -8.497
  120    HM3  OUE  77           HM3      OUE  77   0.009   0.695  -7.260
  121    HN2  OUE  77           HN2      OUE  77  -1.209  -1.975  -7.812
  122    H    OUK  78           H        OUK  78  -1.350  -3.397  -6.217
  123    HA   OUK  78           HA       OUK  78   0.578  -2.988  -3.985
  124    HB2  OUK  78           HB2      OUK  78  -0.169  -5.133  -3.040
  125    HB3  OUK  78           HB3      OUK  78  -1.313  -5.353  -4.343
  126    HG2  OUK  78           HG2      OUK  78  -2.533  -3.237  -3.506
  127    HG3  OUK  78           HG3      OUK  78  -1.466  -3.278  -2.100
  128    HD2  OUK  78           HD2      OUK  78  -2.293  -5.646  -1.618
  129    HD3  OUK  78           HD3      OUK  78  -3.328  -5.538  -3.032
  130    HE2  OUK  78           HE2      OUK  78  -4.840  -5.042  -1.326
  131    HE3  OUK  78           HE3      OUK  78  -4.376  -3.421  -1.870
  132    HZ3  OUK  78           HZ3      OUK  78  -3.432  -4.828   0.595
  133    HZ1  OUK  78           HZ1      OUK  78  -4.397  -3.459   0.526
  134    HZ2  OUK  78           HZ2      OUK  78  -2.807  -3.395   0.081
  135    HM3  OUK  78           HM3      OUK  78   1.668  -5.058  -4.734
  136    HM2  OUK  78           HM2      OUK  78   0.427  -5.309  -5.968
  137    HN2  OUK  78           HN2      OUK  78   1.281  -3.513  -7.243
  138    H    OUR  79           H        OUR  79   2.918  -2.275  -7.986
  139    HA   OUR  79           HA       OUR  79   5.310  -1.973  -6.219
  140    HB3  OUR  79           HB3      OUR  79   5.181  -1.752  -9.275
  141    HB2  OUR  79           HB2      OUR  79   6.541  -1.263  -8.290
  142    HG3  OUR  79           HG3      OUR  79   7.096  -3.391  -9.185
  143    HG2  OUR  79           HG2      OUR  79   6.849  -3.601  -7.466
  144    HD3  OUR  79           HD3      OUR  79   5.937  -5.479  -8.867
  145    HD2  OUR  79           HD2      OUR  79   4.709  -4.738  -7.842
  146    HE   OUR  79           HE       OUR  79   3.574  -4.026  -9.643
  147   HH12  OUR  79          2HH1      OUR  79   6.223  -4.988 -12.574
  148   HH11  OUR  79          1HH1      OUR  79   6.048  -5.963 -11.174
  149   HH22  OUR  79          2HH2      OUR  79   4.841  -3.014 -12.790
  150    HM2  OUR  79           HM2      OUR  79   4.260   0.182  -8.075
  151    HM3  OUR  79           HM3      OUR  79   5.351   0.349  -6.692
  152    HN2  OUR  79           HN2      OUR  79   2.413  -0.204  -6.554
  153   HH21  OUR  79          1HH2      OUR  79   3.632  -2.721 -11.634
  154    H    OUH  80           H        OUH  80   1.249   1.242  -5.482
  155    HA   OUH  80           HA       OUH  80   2.346   2.057  -2.867
  156    HB2  OUH  80           HB2      OUH  80  -0.063   2.660  -4.378
  157    HB3  OUH  80           HB3      OUH  80   0.564   3.433  -2.951
  158    HD2  OUH  80           HD2      OUH  80  -0.365   2.397  -0.409
  159    HD1  OUH  80           HD1      OUH  80  -2.248   0.936  -3.929
  160    HE1  OUH  80           HE1      OUH  80  -3.660   0.256  -1.879
  161    HM2  OUH  80           HM2      OUH  80   0.429  -0.305  -3.157
  162    HM3  OUH  80           HM3      OUH  80   1.098   0.348  -1.660
  163    HN2  OUH  80           HN2      OUH  80   2.722  -0.984  -3.770
  164    H    OUK  81           H        OUK  81   4.375  -2.208  -3.092
  165    HA   OUK  81           HA       OUK  81   5.431  -1.547  -0.380
  166    HB2  OUK  81           HB2      OUK  81   6.876  -3.629  -0.633
  167    HB3  OUK  81           HB3      OUK  81   5.897  -4.087  -2.021
  168    HG2  OUK  81           HG2      OUK  81   3.839  -4.038  -0.486
  169    HG3  OUK  81           HG3      OUK  81   4.926  -3.711   0.865
  170    HD2  OUK  81           HD2      OUK  81   6.142  -5.901   0.329
  171    HD3  OUK  81           HD3      OUK  81   4.969  -6.185  -0.953
  172    HE2  OUK  81           HE2      OUK  81   4.219  -7.451   0.973
  173    HE3  OUK  81           HE3      OUK  81   3.111  -6.074   0.797
  174    HZ3  OUK  81           HZ3      OUK  81   4.355  -4.974   2.642
  175    HZ1  OUK  81           HZ1      OUK  81   5.320  -6.315   2.782
  176    HZ2  OUK  81           HZ2      OUK  81   3.690  -6.437   3.103
  177    HM3  OUK  81           HM3      OUK  81   7.630  -1.391  -1.409
  178    HM2  OUK  81           HM2      OUK  81   6.999  -1.965  -2.962
  179    HN2  OUK  81           HN2      OUK  81   6.111   0.123  -3.418
  180    H    OUI  82           H        OUI  82   5.632   2.244  -3.154
  181    HA   OUI  82           HA       OUI  82   6.234   3.462  -0.499
  182    HB   OUI  82           HB       OUI  82   6.241   5.615  -1.548
  183   3HG1  OUI  82          3HG1      OUI  82   5.606   4.225  -4.212
  184   2HG1  OUI  82          2HG1      OUI  82   4.539   5.311  -3.329
  185   1HG2  OUI  82          1HG2      OUI  82   8.005   3.783  -3.251
  186   2HG2  OUI  82          2HG2      OUI  82   8.329   4.144  -1.549
  187   3HG2  OUI  82          3HG2      OUI  82   8.343   5.445  -2.737
  188   2HD1  OUI  82          2HD1      OUI  82   7.166   6.111  -4.660
  189   3HD1  OUI  82          3HD1      OUI  82   6.214   7.177  -3.603
  190   1HD1  OUI  82          1HD1      OUI  82   5.526   6.580  -5.119
  191    HM2  OUI  82           HM2      OUI  82   3.645   3.817  -2.082
  192    HM3  OUI  82           HM3      OUI  82   4.082   4.676  -0.592
  193    HN2  OUI  82           HN2      OUI  82   3.672   1.736  -0.854
  194    H    OUH  83           H        OUH  83   3.829   0.529   0.915
  195    HA   OUH  83           HA       OUH  83   3.125   1.810   3.493
  196    HB2  OUH  83           HB2      OUH  83   3.177  -0.470   4.409
  197    HB3  OUH  83           HB3      OUH  83   3.683  -1.112   2.857
  198    HD2  OUH  83           HD2      OUH  83   0.951   1.682   2.446
  199    HD1  OUH  83           HD1      OUH  83   1.100  -2.519   3.048
  200    HE1  OUH  83           HE1      OUH  83  -1.287  -1.853   2.330
  201    HM2  OUH  83           HM2      OUH  83   5.233   0.827   4.523
  202    HM3  OUH  83           HM3      OUH  83   5.411   2.275   3.538
  203    HN2  OUH  83           HN2      OUH  83   6.024   0.525   1.685
  204    H    ARG  84           H        ARG  84   8.141   0.631   1.111
  205    HA   ARG  84           HA       ARG  84  10.189   0.063   3.172
  206    HB2  ARG  84           HB2      ARG  84  10.139  -0.791   0.745
  207    HB3  ARG  84           HB3      ARG  84  10.561   0.846   0.238
  208    HG2  ARG  84           HG2      ARG  84  12.657   0.631   1.719
  209    HG3  ARG  84           HG3      ARG  84  12.197  -1.068   1.952
  210    HD2  ARG  84           HD2      ARG  84  12.274  -1.358  -0.543
  211    HD3  ARG  84           HD3      ARG  84  12.841   0.295  -0.698
  212    HE   ARG  84           HE       ARG  84  14.266  -1.996   0.637
  213   HH11  ARG  84          1HH1      ARG  84  16.334   1.331  -0.050
  214   HH12  ARG  84          2HH1      ARG  84  14.638   1.314  -0.509
  215   HH21  ARG  84          1HH2      ARG  84  17.320  -0.599   0.697
  216   HH22  ARG  84          2HH2      ARG  84  16.231  -1.943   1.057
  217    H    LYS  85           H        LYS  85   9.004   2.903   1.497
  218    HA   LYS  85           HA       LYS  85  10.734   4.786   2.883
  219    HB2  LYS  85           HB2      LYS  85  12.266   3.900   1.089
  220    HB3  LYS  85           HB3      LYS  85  11.077   4.367  -0.137
  221    HG2  LYS  85           HG2      LYS  85  11.386   6.704   0.355
  222    HG3  LYS  85           HG3      LYS  85  12.300   6.345   1.830
  223    HD2  LYS  85           HD2      LYS  85  14.183   5.549   0.486
  224    HD3  LYS  85           HD3      LYS  85  13.212   5.681  -1.011
  225    HE2  LYS  85           HE2      LYS  85  14.661   7.610  -0.866
  226    HE3  LYS  85           HE3      LYS  85  12.992   8.122  -0.660
  227    HZ1  LYS  85           HZ1      LYS  85  13.383   8.242   1.754
  228    HZ2  LYS  85           HZ2      LYS  85  14.985   7.783   1.541
  229    HZ3  LYS  85           HZ3      LYS  85  14.421   9.188   0.958
  230    H    ASP  86           H        ASP  86  10.198   6.972   2.313
  231    HA   ASP  86           HA       ASP  86   8.059   7.485   0.435
  232    HB2  ASP  86           HB2      ASP  86   7.145   7.283   2.912
  233    HB3  ASP  86           HB3      ASP  86   7.898   8.853   3.132
  234    H1   HOH 201           H1       HOH  98  -4.497  -3.556  11.113
  235    H2   HOH 201           H2       HOH  98  -4.961  -3.732  12.543
  236    H1   HOH 202           H1       HOH  76   0.348  -3.887   9.991
  237    H2   HOH 202           H2       HOH  76   1.064  -5.159  10.399
  238    H1   HOH 203           H1       HOH 193   3.863   8.792   1.237
  239    H2   HOH 203           H2       HOH 193   3.110  10.102   1.171
  240    H1   HOH 204           H1       HOH 195   5.653  10.904   2.698
  241    H2   HOH 204           H2       HOH 195   5.512  12.361   3.086
  242    H1   HOH 205           H1       HOH 184   4.312   2.064 -10.873
  243    H2   HOH 205           H2       HOH 184   5.156   1.748 -12.093
  244    H1   HOH 206           H1       HOH  41   3.604  -9.413 -13.437
  245    H2   HOH 206           H2       HOH  41   3.645  -8.060 -12.756
  246    H1   HOH 207           H1       HOH 196   6.305  11.963  -0.780
  247    H2   HOH 207           H2       HOH 196   6.866  11.162   0.380
  248    H1   HOH 208           H1       HOH 198  -6.009   5.471   7.588
  249    H2   HOH 208           H2       HOH 198  -6.966   4.765   6.658
  250    H1   HOH 209           H1       HOH 192   4.314   8.066   4.748
  251    H2   HOH 209           H2       HOH 192   4.736   7.385   3.467
  252    H1   HOH 210           H1       HOH 160   0.041   4.863  -9.959
  253    H2   HOH 210           H2       HOH 160  -0.209   6.130  -9.169
  254    H1   HOH 211           H1       HOH 142  -9.728   3.789   7.880
  255    H2   HOH 211           H2       HOH 142 -10.297   2.625   7.098
  256    H1   HOH 212           H1       HOH 123  13.163   2.957   3.232
  257    H2   HOH 212           H2       HOH 123  13.617   4.236   3.901
  258    H1   HOH 213           H1       HOH  68  -0.397  -4.625   1.645
  259    H2   HOH 213           H2       HOH  68  -1.745  -5.221   1.994
  260    H1   HOH 214           H1       HOH  92  -3.817   4.201   7.570
  261    H2   HOH 214           H2       HOH  92  -3.600   5.577   8.161
  262    H1   HOH 215           H1       HOH 100   4.716  -7.721 -10.535
  263    H2   HOH 215           H2       HOH 100   5.222  -8.285 -11.845
  264    H1   HOH 216           H1       HOH  15 -18.100  -5.948   2.262
  265    H2   HOH 216           H2       HOH  15 -18.544  -4.734   3.047
  266    H1   HOH 217           H1       HOH 175   0.467   4.691   2.001
  267    H2   HOH 217           H2       HOH 175   1.965   4.855   1.842
  268    H1   HOH 218           H1       HOH 137 -17.608  -3.856  -1.458
  269    H2   HOH 218           H2       HOH 137 -17.983  -4.962  -0.490
  270    H1   HOH 219           H1       HOH  22 -10.872 -10.429  -1.327
  271    H2   HOH 219           H2       HOH  22 -10.673 -11.916  -1.552
  272    H1   HOH 220           H1       HOH  74 -10.961 -10.540  -3.553
  273    H2   HOH 220           H2       HOH  74 -10.732 -10.726  -5.038
  274    H1   HOH 221           H1       HOH 112  19.528  -1.566   1.153
  275    H2   HOH 221           H2       HOH 112  19.972  -0.336   0.393
  276    H1   HOH 222           H1       HOH 134 -15.113   5.467   7.186
  277    H2   HOH 222           H2       HOH 134 -14.920   6.812   6.517
  278    H1   HOH 223           H1       HOH 103  14.864  -3.499   2.415
  279    H2   HOH 223           H2       HOH 103  15.322  -4.376   1.265
  280    H1   HOH 224           H1       HOH  61   6.274  -6.606   4.963
  281    H2   HOH 224           H2       HOH  61   7.082  -6.870   3.709
  282    H1   HOH 225           H1       HOH  25  -3.004 -11.496  -9.879
  283    H2   HOH 225           H2       HOH  25  -3.289 -12.085 -11.243
  284    H1   HOH 226           H1       HOH  75  -3.396 -11.364  -3.265
  285    H2   HOH 226           H2       HOH  75  -2.132 -11.981  -3.829
  286    H1   HOH 227           H1       HOH 139 -16.286  -0.613   2.856
  287    H2   HOH 227           H2       HOH 139 -17.774  -0.358   2.713
  288    H1   HOH 228           H1       HOH  63   6.313  -3.700   4.498
  289    H2   HOH 228           H2       HOH  63   4.875  -3.676   4.972
  290    H1   HOH 229           H1       HOH  28  -5.428 -16.519  -4.877
  291    H2   HOH 229           H2       HOH  28  -5.196 -17.041  -6.280
  292    H1   HOH 230           H1       HOH 119  16.964   7.801   3.363
  293    H2   HOH 230           H2       HOH 119  16.566   6.467   2.765
  294    H1   HOH 231           H1       HOH 172  -1.706   3.706  -9.715
  295    H2   HOH 231           H2       HOH 172  -0.653   2.787 -10.281
  296    H1   HOH 232           H1       HOH  31  -4.880 -16.758  -8.461
  297    H2   HOH 232           H2       HOH  31  -3.427 -16.717  -8.888
  298    H1   HOH 233           H1       HOH 148  -9.995   9.759   6.152
  299    H2   HOH 233           H2       HOH 148  -9.797   8.431   6.849
  300    H1   HOH 234           H1       HOH 177  -9.456  -1.470  -6.723
  301    H2   HOH 234           H2       HOH 177  -8.120  -0.959  -7.221
  302    H1   HOH 235           H1       HOH 141 -12.643  -1.005  -3.373
  303    H2   HOH 235           H2       HOH 141 -11.194  -1.070  -2.939
  304    H1   HOH 236           H1       HOH   2 -14.110 -10.423  -1.246
  305    H2   HOH 236           H2       HOH   2 -12.835 -10.626  -2.037
  306    H1   HOH 237           H1       HOH 183   3.844   0.084 -11.904
  307    H2   HOH 237           H2       HOH 183   4.314  -0.779 -13.057
  308    H1   HOH 238           H1       HOH  37  -3.635 -15.992  -4.185
  309    H2   HOH 238           H2       HOH  37  -2.635 -16.078  -3.050
  310    H1   HOH 239           H1       HOH 147 -12.246   9.018   6.452
  311    H2   HOH 239           H2       HOH 147 -13.424   9.464   7.296
  312    H1   HOH 240           H1       HOH 106   8.532  -6.695 -10.400
  313    H2   HOH 240           H2       HOH 106   8.661  -5.544 -11.377
  314    H1   HOH 241           H1       HOH  30  -2.277  -9.120  -9.423
  315    H2   HOH 241           H2       HOH  30  -3.419  -8.425 -10.140
  316    H1   HOH 242           H1       HOH 168  -1.637  -0.856 -12.489
  317    H2   HOH 242           H2       HOH 168  -2.318  -2.173 -12.169
  318    H1   HOH 243           H1       HOH  79   3.737  -8.184  -6.212
  319    H2   HOH 243           H2       HOH  79   2.868  -8.041  -7.444
  320    H1   HOH 244           H1       HOH 173  -4.845  -0.090  -9.955
  321    H2   HOH 244           H2       HOH 173  -6.229   0.506 -10.057
  322    H1   HOH 245           H1       HOH  69   2.324  -4.909   5.247
  323    H2   HOH 245           H2       HOH  69   1.700  -6.285   5.230
  324    H1   HOH 246           H1       HOH 166 -11.353  -7.639  -6.637
  325    H2   HOH 246           H2       HOH 166  -9.900  -7.299  -6.387
  326    H1   HOH 247           H1       HOH  82   8.377  -1.467   5.242
  327    H2   HOH 247           H2       HOH  82   8.968  -2.711   4.620
  328    H1   HOH 248           H1       HOH  46   5.292  -9.773   2.685
  329    H2   HOH 248           H2       HOH  46   5.327  -8.597   3.639
  330    H1   HOH 249           H1       HOH 150  -2.564  -4.701 -12.474
  331    H2   HOH 249           H2       HOH 150  -1.680  -4.117 -13.555
  332    H1   HOH 250           H1       HOH 162  -3.567   1.834  -5.659
  333    H2   HOH 250           H2       HOH 162  -3.294   0.755  -6.681
  334    H1   HOH 251           H1       HOH  96   9.654   2.544   7.633
  335    H2   HOH 251           H2       HOH  96   8.404   2.437   6.790
  336    H1   HOH 252           H1       HOH  52   1.411  -5.409   3.075
  337    H2   HOH 252           H2       HOH  52   1.087  -6.200   1.822
  338    H1   HOH 253           H1       HOH 126 -14.689   9.288   3.798
  339    H2   HOH 253           H2       HOH 126 -13.762   8.715   4.848
  340    H1   HOH 254           H1       HOH  99   9.982   0.520   6.327
  341    H2   HOH 254           H2       HOH  99  10.266  -0.786   7.036
  342    H1   HOH 255           H1       HOH 181  -0.406   3.901   3.667
  343    H2   HOH 255           H2       HOH 181  -1.662   3.609   2.872
  344    H1   HOH 256           H1       HOH  55  -1.467  -8.322  -3.357
  345    H2   HOH 256           H2       HOH  55  -2.139  -7.652  -4.536
  346    H1   HOH 257           H1       HOH   3 -14.581 -10.076  -3.572
  347    H2   HOH 257           H2       HOH   3 -15.797  -9.477  -4.252
  348    H1   HOH 258           H1       HOH  93  -0.290  -3.718  12.630
  349    H2   HOH 258           H2       HOH  93   1.071  -3.823  11.980
  350    H1   HOH 259           H1       HOH 133 -12.492   7.772   1.561
  351    H2   HOH 259           H2       HOH 133 -13.296   7.486   2.812
  352    H1   HOH 260           H1       HOH 199   6.488  -5.771 -15.830
  353    H2   HOH 260           H2       HOH 199   6.037  -6.810 -14.827
  354    H1   HOH 261           H1       HOH  35  -1.211 -10.970  -9.911
  355    H2   HOH 261           H2       HOH  35  -0.987 -10.722  -8.430
  356    H1   HOH 262           H1       HOH 151  -4.191  -5.795 -12.577
  357    H2   HOH 262           H2       HOH 151  -3.924  -7.004 -11.704
  358    H1   HOH 263           H1       HOH 197  10.510  12.411   3.110
  359    H2   HOH 263           H2       HOH 197  10.840  12.246   1.644
  360    H1   HOH 264           H1       HOH 178  -6.985  -1.625 -10.269
  361    H2   HOH 264           H2       HOH 178  -8.125  -1.678 -11.262
  362    H1   HOH 265           H1       HOH  53  -3.509  -6.417   3.028
  363    H2   HOH 265           H2       HOH  53  -2.681  -7.613   2.607
  364    H1   HOH 266           H1       HOH   9 -15.543  -7.004   4.560
  365    H2   HOH 266           H2       HOH   9 -16.264  -6.106   3.576
  366    H1   HOH 267           H1       HOH  50   9.031  -6.105   2.553
  367    H2   HOH 267           H2       HOH  50   8.034  -5.031   2.195
  368    H1   HOH 268           H1       HOH 190   4.156  10.466   5.928
  369    H2   HOH 268           H2       HOH 190   4.951  10.322   4.649
  370    H1   HOH 269           H1       HOH 127 -19.998  -2.998   1.736
  371    H2   HOH 269           H2       HOH 127 -20.619  -3.418   3.051
  372    H1   HOH 270           H1       HOH 140 -14.332   0.093   2.931
  373    H2   HOH 270           H2       HOH 140 -14.072  -0.672   4.215
  374    H1   HOH 271           H1       HOH  27  -5.157 -15.529 -10.298
  375    H2   HOH 271           H2       HOH  27  -5.451 -15.782 -11.761
  376    H1   HOH 272           H1       HOH 191  -1.763   7.243   8.740
  377    H2   HOH 272           H2       HOH 191  -1.314   5.802   8.658
  378    H1   HOH 273           H1       HOH 155   0.459  -4.772 -14.331
  379    H2   HOH 273           H2       HOH 155  -0.264  -4.097 -15.477
  380    H1   HOH 274           H1       HOH  81   6.016  -0.318   6.520
  381    H2   HOH 274           H2       HOH  81   5.174   0.057   7.721
  382    H1   HOH 275           H1       HOH  17 -15.042   1.833   7.195
  383    H2   HOH 275           H2       HOH  17 -13.733   2.076   7.917
  384    H1   HOH 276           H1       HOH  88   6.308   4.120   6.646
  385    H2   HOH 276           H2       HOH  88   7.727   4.550   6.343
  386    H1   HOH 277           H1       HOH 152  -7.161  -5.005 -11.128
  387    H2   HOH 277           H2       HOH 152  -7.883  -3.915 -10.367
  388    H1   HOH 278           H1       HOH  12 -12.731   3.407   9.896
  389    H2   HOH 278           H2       HOH  12 -12.074   3.208   8.546
  390    H1   HOH 279           H1       HOH 116  10.405  -1.110  -3.018
  391    H2   HOH 279           H2       HOH 116   9.910   0.247  -2.564
  392    H1   HOH 280           H1       HOH  91   7.723   6.692   6.139
  393    H2   HOH 280           H2       HOH  91   8.514   6.500   4.863
  394    H1   HOH 281           H1       HOH 187   5.487   4.525  -7.474
  395    H2   HOH 281           H2       HOH 187   5.854   4.564  -8.944
  396    H1   HOH 282           H1       HOH 136 -12.775   5.462   1.382
  397    H2   HOH 282           H2       HOH 136 -13.802   4.384   1.106
  398    H1   HOH 283           H1       HOH  89   1.199   5.200   8.565
  399    H2   HOH 283           H2       HOH  89   0.316   4.097   9.111
  400    H1   HOH 284           H1       HOH  71  -4.513 -14.384  -2.637
  401    H2   HOH 284           H2       HOH  71  -5.484 -13.220  -2.653
  402    H1   HOH 285           H1       HOH 122  17.909   4.205  -0.457
  403    H2   HOH 285           H2       HOH 122  17.171   5.447  -0.003
  404    H1   HOH 286           H1       HOH 182   1.941   2.082 -13.695
  405    H2   HOH 286           H2       HOH 182   2.598   0.717 -13.642
  406    H1   HOH 287           H1       HOH  57  -6.883 -11.280  -2.567
  407    H2   HOH 287           H2       HOH  57  -5.490 -10.977  -3.073
  408    H1   HOH 288           H1       HOH 146  -8.045   6.853   7.404
  409    H2   HOH 288           H2       HOH 146  -8.196   7.919   8.469
  410    H1   HOH 289           H1       HOH  66   1.452  -8.358   0.442
  411    H2   HOH 289           H2       HOH  66   0.083  -7.766   0.705
  412    H1   HOH 290           H1       HOH 180  -2.813   0.008 -10.689
  413    H2   HOH 290           H2       HOH 180  -2.740   1.378 -10.042
  414    H1   HOH 291           H1       HOH 194   4.920  12.110  -2.797
  415    H2   HOH 291           H2       HOH 194   4.128  11.304  -1.790
  416    H1   HOH 292           H1       HOH 111  11.729  -1.046   5.244
  417    H2   HOH 292           H2       HOH 111  13.212  -0.845   5.012
  418    H1   HOH 293           H1       HOH  83   9.268  -3.443   0.912
  419    H2   HOH 293           H2       HOH  83   9.026  -3.033   2.350
  420    H1   HOH 294           H1       HOH   5 -13.260  -0.045   7.564
  421    H2   HOH 294           H2       HOH   5 -12.254  -0.316   8.661
  422    H1   HOH 295           H1       HOH 154  -5.736  -8.518 -10.679
  423    H2   HOH 295           H2       HOH 154  -4.908  -9.193 -11.753
  424    H1   HOH 296           H1       HOH 110   8.260  -9.295 -10.855
  425    H2   HOH 296           H2       HOH 110   7.155  -8.284 -10.634
  426    H1   HOH 297           H1       HOH  14 -19.155  -7.493   0.853
  427    H2   HOH 297           H2       HOH  14 -17.915  -7.046   0.103
  428    H1   HOH 298           H1       HOH 179 -11.223  -2.972  -7.306
  429    H2   HOH 298           H2       HOH 179 -11.445  -1.812  -8.253
  430    H1   HOH 299           H1       HOH 167  -5.363   5.849   2.760
  431    H2   HOH 299           H2       HOH 167  -4.955   4.454   2.336
  432    H1   HOH 300           H1       HOH  39  -8.598 -15.469  -9.332
  433    H2   HOH 300           H2       HOH  39  -7.171 -15.606  -9.819
  434    H1   HOH 301           H1       HOH  42   3.295  -9.075   4.530
  435    H2   HOH 301           H2       HOH  42   2.590  -9.124   5.871
  436    H1   HOH 302           H1       HOH  48  -2.250  -8.391  -0.106
  437    H2   HOH 302           H2       HOH  48  -1.922  -7.216   0.787
  438    H1   HOH 303           H1       HOH  47   5.443  -6.585  -5.717
  439    H2   HOH 303           H2       HOH  47   6.053  -7.728  -6.499
  440    H1   HOH 304           H1       HOH  34  -6.189 -15.620  -3.019
  441    H2   HOH 304           H2       HOH  34  -7.334 -15.597  -4.008
  442    H1   HOH 305           H1       HOH  32 -12.894  -9.346  -7.301
  443    H2   HOH 305           H2       HOH  32 -11.835  -9.092  -8.353
  444    H1   HOH 306           H1       HOH 161   4.885   7.484  -9.362
  445    H2   HOH 306           H2       HOH 161   3.867   6.401  -9.629
  446    H1   HOH 307           H1       HOH  13 -12.570  -4.255   4.151
  447    H2   HOH 307           H2       HOH  13 -12.400  -3.379   5.377
  448    H1   HOH 308           H1       HOH 102  11.598  -3.306  -0.294
  449    H2   HOH 308           H2       HOH 102  10.361  -3.991  -0.823
  450    H1   HOH 309           H1       HOH  40  -1.647  -8.369 -13.392
  451    H2   HOH 309           H2       HOH  40  -1.947  -8.150 -11.923
  452    H1   HOH 310           H1       HOH 143 -11.692   1.993  -4.929
  453    H2   HOH 310           H2       HOH 143 -11.323   0.743  -5.699
  454    H1   HOH 311           H1       HOH  73  -6.587  -6.079   8.690
  455    H2   HOH 311           H2       HOH  73  -5.703  -5.681   7.526
  456    H1   HOH 312           H1       HOH  10  -7.646  -5.382  10.814
  457    H2   HOH 312           H2       HOH  10  -6.282  -4.756  10.621
  458    H1   HOH 313           H1       HOH 174   1.507   6.576   0.570
  459    H2   HOH 313           H2       HOH 174   2.110   7.907   0.167
  460    H1   HOH 314           H1       HOH 125 -14.999   0.825  -0.066
  461    H2   HOH 314           H2       HOH 125 -15.786   0.307   1.119
  462    H1   HOH 315           H1       HOH  33  -7.353 -13.215  -4.269
  463    H2   HOH 315           H2       HOH  33  -7.786 -13.819  -5.588
  464    H1   HOH 316           H1       HOH 157  -0.419   5.051  -5.521
  465    H2   HOH 316           H2       HOH 157  -1.754   5.279  -6.195
  466    H1   HOH 317           H1       HOH 118  14.290   0.737   6.366
  467    H2   HOH 317           H2       HOH 118  15.187   0.801   5.147
  468    H1   HOH 318           H1       HOH  59  10.755  -3.853   3.378
  469    H2   HOH 318           H2       HOH  59  11.211  -2.546   3.995
  470    H1   HOH 319           H1       HOH 107  15.033  -3.115   4.652
  471    H2   HOH 319           H2       HOH 107  13.591  -2.796   4.319
  472    H1   HOH 320           H1       HOH  60   0.023 -10.899  -4.261
  473    H2   HOH 320           H2       HOH  60   0.257 -12.359  -3.945
  474    H1   HOH 321           H1       HOH 188 -11.297  -5.344  -6.595
  475    H2   HOH 321           H2       HOH 188 -12.595  -5.089  -7.329
  476    H1   HOH 322           H1       HOH   8  -7.805  -6.822   6.932
  477    H2   HOH 322           H2       HOH   8  -9.032  -5.955   6.753
  478    H1   HOH 323           H1       HOH 120  16.768   4.515   1.854
  479    H2   HOH 323           H2       HOH 120  15.571   4.268   2.753
  480    H1   HOH 324           H1       HOH  29  -6.701 -18.360  -7.555
  481    H2   HOH 324           H2       HOH  29  -6.883 -16.955  -8.094
  482    H1   HOH 325           H1       HOH   7 -12.270  -6.745   3.470
  483    H2   HOH 325           H2       HOH   7 -13.669  -6.161   3.433
  484    H1   HOH 326           H1       HOH  54  -3.579  -9.211  -2.954
  485    H2   HOH 326           H2       HOH  54  -3.941  -9.687  -1.561
  486    H1   HOH 327           H1       HOH  78   3.541  -2.462   9.119
  487    H2   HOH 327           H2       HOH  78   2.445  -3.511   9.108
  488    H1   HOH 328           H1       HOH 189   6.028   8.646   6.319
  489    H2   HOH 328           H2       HOH 189   5.738   7.257   5.803
  490    H1   HOH 329           H1       HOH 138 -14.824  -5.486  -6.387
  491    H2   HOH 329           H2       HOH 138 -14.639  -4.368  -5.377
  492    H1   HOH 330           H1       HOH  65   4.282  -1.798   6.192
  493    H2   HOH 330           H2       HOH  65   3.585  -2.938   6.905
  494    H1   HOH 331           H1       HOH  21  -8.999  -3.769   7.748
  495    H2   HOH 331           H2       HOH  21 -10.383  -3.926   7.150
  496    H1   HOH 332           H1       HOH  38   1.266 -10.342  -7.717
  497    H2   HOH 332           H2       HOH  38   0.418 -10.240  -6.469
  498    H1   HOH 333           H1       HOH   4 -14.266 -10.364  -5.936
  499    H2   HOH 333           H2       HOH   4 -14.347 -11.438  -7.002
  500    H1   HOH 334           H1       HOH 117  15.324   2.613   4.001
  501    H2   HOH 334           H2       HOH 117  16.797   2.695   4.344
  502    H1   HOH 335           H1       HOH 145 -11.088   3.312  -1.184
  503    H2   HOH 335           H2       HOH 145 -11.726   4.382  -0.321
  504    H1   HOH 336           H1       HOH  26  -7.755 -13.495 -12.453
  505    H2   HOH 336           H2       HOH  26  -6.936 -13.940 -11.260
  506    H1   HOH 337           H1       HOH 135 -15.949   4.338   9.018
  507    H2   HOH 337           H2       HOH 135 -17.223   4.635   8.257
  508    H1   HOH 338           H1       HOH 153  -8.725  -6.215  -9.795
  509    H2   HOH 338           H2       HOH 153 -10.128  -6.764  -9.932
  510    H1   HOH 339           H1       HOH 163   2.527   9.368  -2.325
  511    H2   HOH 339           H2       HOH 163   2.961   9.679  -0.907
  512    H1   HOH 340           H1       HOH 124 -14.466  -6.495  -8.407
  513    H2   HOH 340           H2       HOH 124 -13.351  -7.195  -7.657
  514    H1   HOH 341           H1       HOH 144 -13.379   0.444  -4.400
  515    H2   HOH 341           H2       HOH 144 -14.514  -0.524  -4.659
  516    H1   HOH 342           H1       HOH  24  -7.974  -8.169  -9.724
  517    H2   HOH 342           H2       HOH  24  -7.737  -9.624 -10.082
  518    H1   HOH 343           H1       HOH  94   4.156   1.350   6.460
  519    H2   HOH 343           H2       HOH  94   3.497   2.393   7.340
  520    H1   HOH 344           H1       HOH  84  -9.210 -13.801  -1.225
  521    H2   HOH 344           H2       HOH  84  -9.848 -13.388   0.085
  522    H1   HOH 345           H1       HOH 171   1.237   6.257  -4.636
  523    H2   HOH 345           H2       HOH 171   1.659   6.653  -6.038
  524    H1   HOH 346           H1       HOH 132 -12.619  -3.581  -5.633
  525    H2   HOH 346           H2       HOH 132 -12.739  -2.765  -4.361
  526    H1   HOH 347           H1       HOH  62   1.911 -10.611   2.301
  527    H2   HOH 347           H2       HOH  62   3.336 -10.100   2.246
  528    H1   HOH 348           H1       HOH  56  -2.116  -7.388   7.684
  529    H2   HOH 348           H2       HOH  56  -3.217  -7.966   6.823
  530    H1   HOH 349           H1       HOH   1 -18.025  -8.684  -4.388
  531    H2   HOH 349           H2       HOH   1 -17.198  -7.478  -3.989
  532    H1   HOH 350           H1       HOH 185 -10.560   4.188  -4.220
  533    H2   HOH 350           H2       HOH 185 -10.180   3.243  -5.341
  534    H1   HOH 351           H1       HOH 149  -4.292  -3.910 -13.312
  535    H2   HOH 351           H2       HOH 149  -5.498  -4.110 -14.205
  536    H1   HOH 352           H1       HOH  97   4.493   5.514   5.406
  537    H2   HOH 352           H2       HOH  97   4.250   4.084   5.857
  538    H1   HOH 353           H1       HOH 113  11.400  -1.885  -4.653
  539    H2   HOH 353           H2       HOH 113  10.170  -2.481  -5.306
  540    H1   HOH 354           H1       HOH 115   9.004  -5.297  -8.858
  541    H2   HOH 354           H2       HOH 115   9.818  -5.948  -7.760
  542    H1   HOH 355           H1       HOH 129 -17.330  -4.841  -3.451
  543    H2   HOH 355           H2       HOH 129 -16.363  -5.507  -4.408
  544    H1   HOH 356           H1       HOH  16 -16.979  -6.590  -2.054
  545    H2   HOH 356           H2       HOH  16 -17.115  -8.088  -1.942
  546    H1   HOH 357           H1       HOH 104  16.021  -6.724   1.355
  547    H2   HOH 357           H2       HOH 104  15.848  -6.330  -0.096
  548    H1   HOH 358           H1       HOH 164  -0.002   6.502  -0.626
  549    H2   HOH 358           H2       HOH 164  -1.466   6.867  -0.752
  550    H1   HOH 359           H1       HOH 121  16.737  -2.014   6.368
  551    H2   HOH 359           H2       HOH 121  15.572  -1.291   5.727
  552    H1   HOH 360           H1       HOH 109  10.016  -3.314  -3.167
  553    H2   HOH 360           H2       HOH 109   9.088  -4.499  -2.985
  554    H1   HOH 361           H1       HOH  77   1.669  -9.065  -5.372
  555    H2   HOH 361           H2       HOH  77   0.805  -8.904  -4.135
  556    H1   HOH 362           H1       HOH 105  20.068   3.977  -1.779
  557    H2   HOH 362           H2       HOH 105  18.929   4.655  -2.507
  558    H1   HOH 363           H1       HOH 170   0.352   6.279  -2.624
  559    H2   HOH 363           H2       HOH 170   1.649   6.777  -2.025
  560    H1   HOH 364           H1       HOH 128 -18.254   0.048  -2.312
  561    H2   HOH 364           H2       HOH 128 -16.766  -0.114  -2.093
  562    H1   HOH 365           H1       HOH 130 -18.476  -3.011  -3.843
  563    H2   HOH 365           H2       HOH 130 -17.703  -2.263  -2.777
  564    H1   HOH 366           H1       HOH  11 -11.032  -8.649   6.506
  565    H2   HOH 366           H2       HOH  11  -9.792  -7.984   5.947
  566    H1   HOH 367           H1       HOH  64   6.343 -11.750   1.844
  567    H2   HOH 367           H2       HOH  64   7.241 -10.616   1.395
  568    H1   HOH 368           H1       HOH  44  -5.390  -7.868   7.468
  569    H2   HOH 368           H2       HOH  44  -5.301  -9.379   7.525
  570    H1   HOH 369           H1       HOH  72   2.277  -9.998   0.026
  571    H2   HOH 369           H2       HOH  72   2.826  -9.709  -1.356
  572    H1   HOH 370           H1       HOH  85   0.789   2.133  11.305
  573    H2   HOH 370           H2       HOH  85   0.741   3.645  11.358
  574    H1   HOH 371           H1       HOH  43   0.671  -8.770   2.554
  575    H2   HOH 371           H2       HOH  43   0.970  -9.224   3.971
  576    H1   HOH 372           H1       HOH 156  -1.472  -7.515 -15.725
  577    H2   HOH 372           H2       HOH 156  -1.126  -6.390 -14.771
  578    H1   HOH 373           H1       HOH   6 -12.563  -3.686   7.824
  579    H2   HOH 373           H2       HOH   6 -12.217  -2.292   7.342
  580    H1   HOH 374           H1       HOH  67  -0.533  -8.064  -1.533
  581    H2   HOH 374           H2       HOH  67   0.716  -8.869  -1.828
  582    H1   HOH 375           H1       HOH  36  -9.518 -11.155 -10.928
  583    H2   HOH 375           H2       HOH  36  -8.188 -11.853 -10.773
  584    H1   HOH 376           H1       HOH  49  -3.240  -9.578   1.118
  585    H2   HOH 376           H2       HOH  49  -4.661  -9.397   0.632
  586    H1   HOH 377           H1       HOH  45  -1.383  -9.420   2.944
  587    H2   HOH 377           H2       HOH  45  -2.715 -10.032   3.327
  588    H1   HOH 378           H1       HOH  23  -1.194 -10.339 -12.029
  589    H2   HOH 378           H2       HOH  23  -0.106 -11.382 -12.185
  590    H1   HOH 379           H1       HOH  95   6.086   1.742   9.194
  591    H2   HOH 379           H2       HOH  95   4.572   1.762   9.244
  592    H1   HOH 380           H1       HOH 101  12.469  -0.079  -5.392
  593    H2   HOH 380           H2       HOH 101  13.631  -1.032  -5.574
  594    H1   HOH 381           H1       HOH 131 -14.867   0.576  -2.527
  595    H2   HOH 381           H2       HOH 131 -15.295   1.953  -2.064
  596    H1   HOH 382           H1       HOH  80   6.471  -9.108  -3.244
  597    H2   HOH 382           H2       HOH  80   5.541  -8.190  -4.011
  598    H1   HOH 383           H1       HOH 108  11.879  -5.768   2.233
  599    H2   HOH 383           H2       HOH 108  10.974  -4.907   1.373
  600    H1   HOH 384           H1       HOH 176  -8.428   2.068  -6.830
  601    H2   HOH 384           H2       HOH 176  -8.228   3.497  -6.371
  602    H1   HOH 385           H1       HOH  87   4.717  -0.400   9.833
  603    H2   HOH 385           H2       HOH  87   4.453  -1.235  11.068
  604    H1   HOH 386           H1       HOH 186   3.417   8.561  -6.452
  605    H2   HOH 386           H2       HOH 186   3.207   7.608  -7.611
  606    H1   HOH 387           H1       HOH  20  -9.535 -10.116   5.368
  607    H2   HOH 387           H2       HOH  20  -8.185 -10.118   4.685
  608    H1   HOH 388           H1       HOH 114   9.467  -2.135  -7.750
  609    H2   HOH 388           H2       HOH 114   9.489  -3.566  -7.255
  610    H1   HOH 389           H1       HOH 158 -10.674   6.357  -3.184
  611    H2   HOH 389           H2       HOH 158 -10.359   5.146  -2.330
  612    H1   HOH 390           H1       HOH  86   2.529   2.781   9.786
  613    H2   HOH 390           H2       HOH  86   3.228   3.828   8.943
  614    H1   HOH 391           H1       HOH  18 -10.688 -14.422   2.214
  615    H2   HOH 391           H2       HOH  18  -9.184 -14.244   2.176
  616    H1   HOH 392           H1       HOH  90   3.268   6.334   8.623
  617    H2   HOH 392           H2       HOH  90   3.568   5.313   7.548
  618    H1   HOH 393           H1       HOH 159  -6.297   5.172  -6.611
  619    H2   HOH 393           H2       HOH 159  -7.081   4.996  -5.328
  620    H1   HOH 394           H1       HOH  70  -2.299 -11.891   4.631
  621    H2   HOH 394           H2       HOH  70  -3.758 -11.675   4.964
  622    H1   HOH 395           H1       HOH 165  -7.078   6.284  -3.153
  623    H2   HOH 395           H2       HOH 165  -8.379   5.639  -3.589
  624    H1   HOH 396           H1       HOH 169   5.367  10.851  -6.859
  625    H2   HOH 396           H2       HOH 169   5.854  10.121  -5.626
  626    H1   HOH 397           H1       HOH  51  -4.779 -12.884   6.978
  627    H2   HOH 397           H2       HOH  51  -5.724 -12.683   5.813
  628    H1   HOH 398           H1       HOH  19  -7.923 -12.219   5.345
  629    H2   HOH 398           H2       HOH  19  -7.679 -13.510   4.589
  630    H1   HOH 399           H1       HOH  58  -7.503 -15.502   3.371
  631    H2   HOH 399           H2       HOH  58  -6.868 -14.379   2.581
  Start of MODEL    3
    1    HA   PRO  62           HA       PRO  62 -10.447  -8.280  -3.285
    2    HB2  PRO  62           HB2      PRO  62 -11.325  -5.965  -2.101
    3    HB3  PRO  62           HB3      PRO  62 -12.166  -6.718  -3.485
    4    HG2  PRO  62           HG2      PRO  62 -12.807  -7.030  -0.515
    5    HG3  PRO  62           HG3      PRO  62 -13.932  -6.614  -1.850
    6    HD2  PRO  62           HD2      PRO  62 -13.752  -9.172  -1.031
    7    HD3  PRO  62           HD3      PRO  62 -13.824  -8.787  -2.764
    8    H    PHE  63           H        PHE  63  -8.661  -7.010  -2.452
    9    HA   PHE  63           HA       PHE  63  -7.660  -7.926   0.182
   10    HB2  PHE  63           HB2      PHE  63  -6.476  -6.442  -2.186
   11    HB3  PHE  63           HB3      PHE  63  -5.643  -6.508  -0.644
   12    HD1  PHE  63           HD1      PHE  63  -6.801  -8.581  -3.505
   13    HD2  PHE  63           HD2      PHE  63  -4.670  -8.552   0.245
   14    HE1  PHE  63           HE1      PHE  63  -5.939 -10.857  -3.975
   15    HE2  PHE  63           HE2      PHE  63  -3.823 -10.834  -0.229
   16    HZ   PHE  63           HZ       PHE  63  -4.462 -11.988  -2.332
   17    H    ALA  64           H        ALA  64  -6.405  -6.033   1.396
   18    HA   ALA  64           HA       ALA  64  -7.716  -3.426   1.224
   19    HB1  ALA  64           HB1      ALA  64  -7.717  -5.040   3.817
   20    HB2  ALA  64           HB2      ALA  64  -8.236  -3.351   3.647
   21    HB3  ALA  64           HB3      ALA  64  -9.156  -4.642   2.841
   22    H    CYS  65           H        CYS  65  -6.585  -1.767   2.391
   23    HA   CYS  65           HA       CYS  65  -3.663  -2.110   2.529
   24    HB2  CYS  65           HB2      CYS  65  -5.656   0.143   2.894
   25    HB3  CYS  65           HB3      CYS  65  -4.013   0.269   3.551
   26    H    ASP  66           H        ASP  66  -2.774  -2.940   4.172
   27    HA   ASP  66           HA       ASP  66  -3.702  -3.378   6.775
   28    HB2  ASP  66           HB2      ASP  66  -1.636  -4.155   5.291
   29    HB3  ASP  66           HB3      ASP  66  -0.802  -2.813   6.036
   30    H    ILE  67           H        ILE  67  -2.150  -0.530   5.415
   31    HA   ILE  67           HA       ILE  67  -1.925   0.809   8.049
   32    HB   ILE  67           HB       ILE  67  -0.778   1.479   5.319
   33   HG12  ILE  67          2HG1      ILE  67   0.221  -0.584   6.044
   34   HG13  ILE  67          3HG1      ILE  67   1.387   0.709   6.202
   35   HG21  ILE  67          HG21      ILE  67  -0.872   3.516   6.614
   36   HG22  ILE  67          HG22      ILE  67  -0.177   2.706   8.034
   37   HG23  ILE  67          HG23      ILE  67   0.798   2.958   6.568
   38   HD11  ILE  67          1HD1      ILE  67   1.528  -0.839   8.089
   39   HD12  ILE  67          2HD1      ILE  67   1.039   0.765   8.658
   40   HD13  ILE  67          3HD1      ILE  67  -0.161  -0.540   8.518
   41    H    CYS  68           H        CYS  68  -3.422   1.435   4.853
   42    HA   CYS  68           HA       CYS  68  -4.629   3.927   5.788
   43    HB2  CYS  68           HB2      CYS  68  -4.812   2.349   3.204
   44    HB3  CYS  68           HB3      CYS  68  -5.784   3.774   3.534
   45    H    GLY  69           H        GLY  69  -5.537   0.642   6.169
   46    HA2  GLY  69           HA2      GLY  69  -7.423  -0.434   6.847
   47    HA3  GLY  69           HA3      GLY  69  -8.150   1.129   7.219
   48    H    ARG  70           H        ARG  70  -7.411   1.344   4.036
   49    HA   ARG  70           HA       ARG  70 -10.179   1.079   3.237
   50    HB2  ARG  70           HB2      ARG  70  -8.607   2.943   2.584
   51    HB3  ARG  70           HB3      ARG  70  -7.758   1.806   1.521
   52    HG2  ARG  70           HG2      ARG  70  -9.889   1.405   0.304
   53    HG3  ARG  70           HG3      ARG  70 -10.723   2.525   1.397
   54    HD2  ARG  70           HD2      ARG  70  -8.972   4.260   0.579
   55    HD3  ARG  70           HD3      ARG  70  -8.647   3.126  -0.742
   56    HE   ARG  70           HE       ARG  70 -10.722   4.986  -0.614
   57   HH11  ARG  70          1HH1      ARG  70 -12.413   5.063  -1.920
   58   HH12  ARG  70          2HH1      ARG  70 -12.910   3.637  -2.800
   59   HH21  ARG  70          1HH2      ARG  70 -10.780   1.463  -1.362
   60   HH22  ARG  70          2HH2      ARG  70 -12.338   1.687  -2.111
   61    H    LYS  71           H        LYS  71 -11.158  -0.420   1.921
   62    HA   LYS  71           HA       LYS  71  -9.656  -2.793   1.055
   63    HB2  LYS  71           HB2      LYS  71 -11.720  -3.822   0.561
   64    HB3  LYS  71           HB3      LYS  71 -11.763  -3.068   2.143
   65    HG2  LYS  71           HG2      LYS  71 -12.912  -1.046   0.754
   66    HG3  LYS  71           HG3      LYS  71 -13.250  -2.363  -0.372
   67    HD2  LYS  71           HD2      LYS  71 -15.154  -2.340   1.032
   68    HD3  LYS  71           HD3      LYS  71 -14.176  -3.643   1.728
   69    HE2  LYS  71           HE2      LYS  71 -13.216  -1.903   3.343
   70    HE3  LYS  71           HE3      LYS  71 -14.355  -0.729   2.655
   71    HZ1  LYS  71           HZ1      LYS  71 -14.959  -3.115   4.275
   72    HZ2  LYS  71           HZ2      LYS  71 -15.362  -1.562   4.546
   73    HZ3  LYS  71           HZ3      LYS  71 -16.127  -2.436   3.336
   74    H    PHE  72           H        PHE  72  -9.644  -3.692  -1.022
   75    HA   PHE  72           HA       PHE  72  -9.356  -1.800  -3.287
   76    HB2  PHE  72           HB2      PHE  72  -7.191  -2.760  -1.453
   77    HB3  PHE  72           HB3      PHE  72  -6.841  -2.970  -3.146
   78    HD1  PHE  72           HD1      PHE  72  -6.594  -1.079  -4.696
   79    HD2  PHE  72           HD2      PHE  72  -7.323  -0.471  -0.485
   80    HE1  PHE  72           HE1      PHE  72  -5.875   1.287  -4.906
   81    HE2  PHE  72           HE2      PHE  72  -6.590   1.880  -0.699
   82    HZ   PHE  72           HZ       PHE  72  -5.888   2.773  -2.925
   83    H    ALA  73           H        ALA  73  -8.692  -2.841  -5.270
   84    HA   ALA  73           HA       ALA  73  -9.672  -5.435  -5.776
   85    HB1  ALA  73           HB1      ALA  73  -9.596  -3.653  -7.418
   86    HB2  ALA  73           HB2      ALA  73  -7.829  -3.648  -7.419
   87    HB3  ALA  73           HB3      ALA  73  -8.719  -5.068  -8.027
   88    H    ARG  74           H        ARG  74  -6.363  -4.907  -6.840
   89    HA   ARG  74           HA       ARG  74  -5.047  -6.852  -5.220
   90    HB2  ARG  74           HB2      ARG  74  -6.360  -8.551  -6.352
   91    HB3  ARG  74           HB3      ARG  74  -6.020  -7.847  -7.935
   92    HG2  ARG  74           HG2      ARG  74  -4.756  -9.910  -7.524
   93    HG3  ARG  74           HG3      ARG  74  -3.710  -8.546  -7.842
   94    HD2  ARG  74           HD2      ARG  74  -4.051  -8.756  -4.967
   95    HD3  ARG  74           HD3      ARG  74  -3.740 -10.368  -5.610
   96    HE   ARG  74           HE       ARG  74  -1.960  -8.139  -6.467
   97   HH11  ARG  74          1HH1      ARG  74   0.292  -8.651  -6.288
   98   HH12  ARG  74          2HH1      ARG  74   0.738  -9.613  -4.907
   99   HH21  ARG  74          1HH2      ARG  74  -0.527 -10.762  -3.888
  100   HH22  ARG  74          2HH2      ARG  74  -2.240 -10.844  -4.189
  101    H    SER  75           H        SER  75  -5.142  -5.333  -8.425
  102    HA   SER  75           HA       SER  75  -3.741  -3.749  -9.294
  103    HB2  SER  75           HB2      SER  75  -3.356  -3.263  -6.327
  104    HB3  SER  75           HB3      SER  75  -3.283  -2.049  -7.631
  105    HG   SER  75           HG       SER  75  -5.420  -2.264  -7.964
  106    H    OUD  76           H        OUD  76  -2.233  -5.974  -9.635
  107    HA   OUD  76           HA       OUD  76   0.310  -5.728  -8.202
  108    HB3  OUD  76           HB3      OUD  76  -0.953  -7.914  -8.642
  109    HB2  OUD  76           HB2      OUD  76  -0.439  -7.799 -10.317
  110    HM3  OUD  76           HM3      OUD  76   1.753  -5.590 -10.134
  111    HM2  OUD  76           HM2      OUD  76   0.382  -5.713 -11.251
  112    HN2  OUD  76           HN2      OUD  76  -0.086  -3.475 -10.996
  113    H    OUE  77           H        OUE  77  -0.117  -1.542 -10.148
  114    HA   OUE  77           HA       OUE  77   1.892  -0.897  -8.043
  115    HB3  OUE  77           HB3      OUE  77   2.707   0.066 -10.095
  116    HB2  OUE  77           HB2      OUE  77   1.152   0.769 -10.501
  117    HG3  OUE  77           HG3      OUE  77   1.316   2.390  -8.678
  118    HG2  OUE  77           HG2      OUE  77   2.729   1.584  -8.008
  119    HM2  OUE  77           HM2      OUE  77  -0.757   0.486  -8.636
  120    HM3  OUE  77           HM3      OUE  77   0.357   0.874  -7.315
  121    HN2  OUE  77           HN2      OUE  77  -1.103  -1.709  -7.573
  122    H    OUK  78           H        OUK  78  -1.489  -2.817  -5.904
  123    HA   OUK  78           HA       OUK  78   0.409  -2.591  -3.624
  124    HB2  OUK  78           HB2      OUK  78  -0.687  -4.804  -2.924
  125    HB3  OUK  78           HB3      OUK  78  -1.904  -4.530  -4.165
  126    HG2  OUK  78           HG2      OUK  78  -2.442  -2.294  -2.952
  127    HG3  OUK  78           HG3      OUK  78  -1.344  -2.835  -1.678
  128    HD2  OUK  78           HD2      OUK  78  -2.796  -5.032  -1.640
  129    HD3  OUK  78           HD3      OUK  78  -3.978  -4.126  -2.580
  130    HE2  OUK  78           HE2      OUK  78  -2.902  -3.408   0.209
  131    HE3  OUK  78           HE3      OUK  78  -4.501  -4.074  -0.150
  132    HZ3  OUK  78           HZ3      OUK  78  -4.527  -1.697   0.339
  133    HZ1  OUK  78           HZ1      OUK  78  -5.077  -1.972  -1.226
  134    HZ2  OUK  78           HZ2      OUK  78  -3.538  -1.376  -0.937
  135    HM3  OUK  78           HM3      OUK  78   1.271  -4.796  -4.313
  136    HM2  OUK  78           HM2      OUK  78   0.120  -4.871  -5.650
  137    HN2  OUK  78           HN2      OUK  78   1.335  -3.252  -6.835
  138    H    OUR  79           H        OUR  79   3.137  -2.188  -7.404
  139    HA   OUR  79           HA       OUR  79   5.273  -1.886  -5.333
  140    HB3  OUR  79           HB3      OUR  79   5.657  -1.754  -8.374
  141    HB2  OUR  79           HB2      OUR  79   6.878  -1.555  -7.139
  142    HG3  OUR  79           HG3      OUR  79   7.259  -3.734  -7.826
  143    HG2  OUR  79           HG2      OUR  79   6.306  -3.990  -6.368
  144    HD3  OUR  79           HD3      OUR  79   4.259  -4.315  -7.783
  145    HD2  OUR  79           HD2      OUR  79   5.186  -3.925  -9.237
  146    HE   OUR  79           HE       OUR  79   6.544  -5.890  -8.826
  147   HH12  OUR  79          2HH1      OUR  79   4.014  -8.239  -9.717
  148   HH11  OUR  79          1HH1      OUR  79   5.675  -7.829  -9.998
  149   HH22  OUR  79          2HH2      OUR  79   2.889  -7.446  -7.840
  150    HM2  OUR  79           HM2      OUR  79   4.548   0.184  -7.446
  151    HM3  OUR  79           HM3      OUR  79   5.632   0.377  -6.059
  152    HN2  OUR  79           HN2      OUR  79   2.711  -0.144  -5.762
  153   HH21  OUR  79          1HH2      OUR  79   3.586  -6.195  -6.860
  154    H    OUH  80           H        OUH  80   1.425   1.535  -5.327
  155    HA   OUH  80           HA       OUH  80   2.692   2.751  -2.940
  156    HB2  OUH  80           HB2      OUH  80   0.705   3.986  -4.608
  157    HB3  OUH  80           HB3      OUH  80   1.469   4.579  -3.160
  158    HD2  OUH  80           HD2      OUH  80   0.136   4.229  -0.690
  159    HD1  OUH  80           HD1      OUH  80  -1.997   3.201  -4.217
  160    HE1  OUH  80           HE1      OUH  80  -3.646   3.359  -2.239
  161    HM2  OUH  80           HM2      OUH  80   0.152   1.081  -3.065
  162    HM3  OUH  80           HM3      OUH  80   0.999   1.643  -1.609
  163    HN2  OUH  80           HN2      OUH  80   2.121  -0.291  -3.577
  164    H    OUK  81           H        OUK  81   3.568  -1.687  -2.922
  165    HA   OUK  81           HA       OUK  81   4.895  -1.003  -0.362
  166    HB2  OUK  81           HB2      OUK  81   5.990  -3.204  -0.315
  167    HB3  OUK  81           HB3      OUK  81   5.075  -3.737  -1.722
  168    HG2  OUK  81           HG2      OUK  81   2.958  -3.619  -0.463
  169    HG3  OUK  81           HG3      OUK  81   3.765  -2.866   0.914
  170    HD2  OUK  81           HD2      OUK  81   5.119  -4.899   1.295
  171    HD3  OUK  81           HD3      OUK  81   4.438  -5.669  -0.141
  172    HE2  OUK  81           HE2      OUK  81   2.180  -5.688   0.885
  173    HE3  OUK  81           HE3      OUK  81   2.795  -4.807   2.307
  174    HZ3  OUK  81           HZ3      OUK  81   3.646  -7.542   1.519
  175    HZ1  OUK  81           HZ1      OUK  81   2.528  -7.171   2.715
  176    HZ2  OUK  81           HZ2      OUK  81   4.126  -6.692   2.892
  177    HM3  OUK  81           HM3      OUK  81   7.003  -1.410  -1.626
  178    HM2  OUK  81           HM2      OUK  81   6.061  -1.807  -3.072
  179    HN2  OUK  81           HN2      OUK  81   5.652   0.459  -3.430
  180    H    OUI  82           H        OUI  82   6.008   2.612  -3.171
  181    HA   OUI  82           HA       OUI  82   6.659   3.467  -0.382
  182    HB   OUI  82           HB       OUI  82   7.353   5.612  -1.164
  183   3HG1  OUI  82          3HG1      OUI  82   6.997   4.641  -4.050
  184   2HG1  OUI  82          2HG1      OUI  82   5.981   5.825  -3.243
  185   1HG2  OUI  82          1HG2      OUI  82   9.011   3.713  -0.958
  186   2HG2  OUI  82          2HG2      OUI  82   9.542   4.987  -2.046
  187   3HG2  OUI  82          3HG2      OUI  82   8.910   3.471  -2.707
  188   2HD1  OUI  82          2HD1      OUI  82   7.982   7.319  -2.902
  189   3HD1  OUI  82          3HD1      OUI  82   7.549   7.053  -4.596
  190   1HD1  OUI  82          1HD1      OUI  82   8.938   6.212  -3.900
  191    HM2  OUI  82           HM2      OUI  82   4.533   4.607  -2.248
  192    HM3  OUI  82           HM3      OUI  82   4.928   5.187  -0.615
  193    HN2  OUI  82           HN2      OUI  82   4.178   2.368  -1.032
  194    H    OUH  83           H        OUH  83   4.100   1.494   0.829
  195    HA   OUH  83           HA       OUH  83   3.268   3.202   3.110
  196    HB2  OUH  83           HB2      OUH  83   2.951   1.198   4.471
  197    HB3  OUH  83           HB3      OUH  83   3.396   0.156   3.133
  198    HD2  OUH  83           HD2      OUH  83   0.857   3.266   2.767
  199    HD1  OUH  83           HD1      OUH  83   0.937  -0.978   2.578
  200    HE1  OUH  83           HE1      OUH  83  -1.362  -0.132   1.765
  201    HM2  OUH  83           HM2      OUH  83   5.234   2.142   4.295
  202    HM3  OUH  83           HM3      OUH  83   5.636   3.228   2.962
  203    HN2  OUH  83           HN2      OUH  83   5.805   1.102   1.573
  204    H    ARG  84           H        ARG  84   7.667   0.192   1.113
  205    HA   ARG  84           HA       ARG  84   9.242  -0.997   3.322
  206    HB2  ARG  84           HB2      ARG  84   8.893  -2.135   1.112
  207    HB3  ARG  84           HB3      ARG  84   9.874  -0.874   0.336
  208    HG2  ARG  84           HG2      ARG  84  11.826  -1.508   1.670
  209    HG3  ARG  84           HG3      ARG  84  10.840  -2.613   2.640
  210    HD2  ARG  84           HD2      ARG  84  10.397  -3.959   0.570
  211    HD3  ARG  84           HD3      ARG  84  11.541  -2.906  -0.308
  212    HE   ARG  84           HE       ARG  84  13.071  -3.664   1.761
  213   HH11  ARG  84          1HH1      ARG  84  14.293  -5.504   2.074
  214   HH12  ARG  84          2HH1      ARG  84  13.970  -6.895   1.082
  215   HH21  ARG  84          1HH2      ARG  84  11.255  -5.660  -0.534
  216   HH22  ARG  84          2HH2      ARG  84  12.407  -6.972  -0.288
  217    H    LYS  85           H        LYS  85   9.343   1.826   1.344
  218    HA   LYS  85           HA       LYS  85  10.811   3.148   3.425
  219    HB2  LYS  85           HB2      LYS  85  11.885   3.343   0.567
  220    HB3  LYS  85           HB3      LYS  85  12.207   4.530   1.839
  221    HG2  LYS  85           HG2      LYS  85  13.134   2.644   3.263
  222    HG3  LYS  85           HG3      LYS  85  13.015   1.587   1.856
  223    HD2  LYS  85           HD2      LYS  85  15.260   2.363   2.066
  224    HD3  LYS  85           HD3      LYS  85  14.581   3.121   0.618
  225    HE2  LYS  85           HE2      LYS  85  14.264   5.210   1.864
  226    HE3  LYS  85           HE3      LYS  85  14.696   4.438   3.396
  227    HZ1  LYS  85           HZ1      LYS  85  16.909   4.033   2.517
  228    HZ2  LYS  85           HZ2      LYS  85  16.537   4.724   1.071
  229    HZ3  LYS  85           HZ3      LYS  85  16.574   5.656   2.391
  230    H    ASP  86           H        ASP  86  10.714   5.660   2.637
  231    HA   ASP  86           HA       ASP  86   7.822   6.090   2.093
  232    HB2  ASP  86           HB2      ASP  86   9.388   7.246   3.995
  233    HB3  ASP  86           HB3      ASP  86   9.657   8.374   2.705
  234    H1   HOH 201           H1       HOH 170   5.896   9.336   0.220
  235    H2   HOH 201           H2       HOH 170   6.725   8.160  -0.251
  236    H1   HOH 202           H1       HOH  84   2.162  -5.544   8.635
  237    H2   HOH 202           H2       HOH  84   1.181  -5.192   7.537
  238    H1   HOH 203           H1       HOH 174   7.421  11.113   5.976
  239    H2   HOH 203           H2       HOH 174   7.954  10.357   4.775
  240    H1   HOH 204           H1       HOH 175   7.645  11.877   1.812
  241    H2   HOH 204           H2       HOH 175   7.515  10.416   2.187
  242    H1   HOH 205           H1       HOH  77   7.393   6.705   5.359
  243    H2   HOH 205           H2       HOH  77   8.396   7.139   6.403
  244    H1   HOH 206           H1       HOH  80  -2.985  -6.005  10.663
  245    H2   HOH 206           H2       HOH  80  -2.141  -5.343   9.592
  246    H1   HOH 207           H1       HOH 110  11.737   1.077   4.998
  247    H2   HOH 207           H2       HOH 110  11.120   1.715   6.223
  248    H1   HOH 208           H1       HOH 163   4.100  -0.151 -11.960
  249    H2   HOH 208           H2       HOH 163   4.221   1.309 -11.572
  250    H1   HOH 209           H1       HOH  82  -2.431  -6.520   7.867
  251    H2   HOH 209           H2       HOH  82  -2.086  -7.727   8.714
  252    H1   HOH 210           H1       HOH 186   8.813   9.172  -0.601
  253    H2   HOH 210           H2       HOH 186   8.410  10.525  -0.056
  254    H1   HOH 211           H1       HOH  87  -4.666   4.866   9.426
  255    H2   HOH 211           H2       HOH  87  -4.379   4.023   8.203
  256    H1   HOH 212           H1       HOH 155   5.597   1.529 -10.126
  257    H2   HOH 212           H2       HOH 155   5.148   2.602  -9.164
  258    H1   HOH 213           H1       HOH 182   5.283   6.834   4.161
  259    H2   HOH 213           H2       HOH 182   4.108   7.299   3.334
  260    H1   HOH 214           H1       HOH  34   2.260 -10.819  -7.997
  261    H2   HOH 214           H2       HOH  34   2.516  -9.756  -9.039
  262    H1   HOH 215           H1       HOH  89  -3.425   0.177  10.787
  263    H2   HOH 215           H2       HOH  89  -3.865  -0.626   9.584
  264    H1   HOH 216           H1       HOH 149  -4.798  -1.146  -9.903
  265    H2   HOH 216           H2       HOH 149  -5.774  -2.291 -10.092
  266    H1   HOH 217           H1       HOH 156   4.477   6.362  -9.842
  267    H2   HOH 217           H2       HOH 156   3.565   5.154  -9.757
  268    H1   HOH 218           H1       HOH  21 -11.025  -8.341   1.447
  269    H2   HOH 218           H2       HOH  21 -12.202  -7.843   2.264
  270    H1   HOH 219           H1       HOH  56  -0.742  -6.385   5.874
  271    H2   HOH 219           H2       HOH  56  -1.677  -7.523   6.211
  272    H1   HOH 220           H1       HOH 132  -8.466   4.289   4.921
  273    H2   HOH 220           H2       HOH 132  -8.316   5.768   4.631
  274    H1   HOH 221           H1       HOH 164  -0.670   4.971   1.274
  275    H2   HOH 221           H2       HOH 164  -1.768   4.780   2.304
  276    H1   HOH 222           H1       HOH  23 -12.999  -0.261   6.280
  277    H2   HOH 222           H2       HOH  23 -11.488  -0.112   6.225
  278    H1   HOH 223           H1       HOH 120 -11.903   3.412  -4.715
  279    H2   HOH 223           H2       HOH 120 -13.203   3.353  -5.491
  280    H1   HOH 224           H1       HOH  16 -14.343  -4.956   5.755
  281    H2   HOH 224           H2       HOH  16 -13.638  -3.619   5.810
  282    H1   HOH 225           H1       HOH 197  17.132   5.832  -1.077
  283    H2   HOH 225           H2       HOH 197  18.129   4.845  -0.504
  284    H1   HOH 226           H1       HOH   4 -13.121 -10.833  -4.563
  285    H2   HOH 226           H2       HOH   4 -11.739 -11.225  -5.048
  286    H1   HOH 227           H1       HOH   9 -12.990 -11.675   0.004
  287    H2   HOH 227           H2       HOH   9 -11.557 -11.522   0.480
  288    H1   HOH 228           H1       HOH 107  18.292   2.852   4.357
  289    H2   HOH 228           H2       HOH 107  17.816   1.812   3.367
  290    H1   HOH 229           H1       HOH  53   3.732  -9.552   0.536
  291    H2   HOH 229           H2       HOH  53   4.426  -8.857  -0.618
  292    H1   HOH 230           H1       HOH  31   3.054  -6.164  -3.308
  293    H2   HOH 230           H2       HOH  31   3.984  -5.214  -4.030
  294    H1   HOH 231           H1       HOH  27 -14.460   0.827   4.976
  295    H2   HOH 231           H2       HOH  27 -15.588   0.221   5.790
  296    H1   HOH 232           H1       HOH   7 -18.141  -3.826   3.084
  297    H2   HOH 232           H2       HOH   7 -17.893  -3.122   1.765
  298    H1   HOH 233           H1       HOH 133 -13.214   7.226  -1.426
  299    H2   HOH 233           H2       HOH 133 -11.913   6.985  -0.682
  300    H1   HOH 234           H1       HOH  85   5.617  -5.843   4.101
  301    H2   HOH 234           H2       HOH  85   4.915  -5.045   5.184
  302    H1   HOH 235           H1       HOH  91  14.051  -8.728   0.503
  303    H2   HOH 235           H2       HOH  91  13.984  -9.034  -0.978
  304    H1   HOH 236           H1       HOH  42   2.187 -10.778  -3.218
  305    H2   HOH 236           H2       HOH  42   1.618 -11.952  -3.986
  306    H1   HOH 237           H1       HOH 172  -4.451   3.860   1.461
  307    H2   HOH 237           H2       HOH 172  -4.889   3.146   0.195
  308    H1   HOH 238           H1       HOH 165   2.831   7.022  -1.257
  309    H2   HOH 238           H2       HOH 165   2.670   5.971  -0.178
  310    H1   HOH 239           H1       HOH  99   9.632  -5.206  -2.502
  311    H2   HOH 239           H2       HOH  99   9.506  -6.650  -2.063
  312    H1   HOH 240           H1       HOH  44  -1.867 -13.104  -4.435
  313    H2   HOH 240           H2       HOH  44  -3.256 -13.437  -3.930
  314    H1   HOH 241           H1       HOH  96   9.042  -5.834  -8.957
  315    H2   HOH 241           H2       HOH  96   8.433  -6.988  -9.735
  316    H1   HOH 242           H1       HOH  72   8.712   2.572   6.678
  317    H2   HOH 242           H2       HOH  72   8.678   1.570   5.544
  318    H1   HOH 243           H1       HOH  58   1.186  -6.608   4.056
  319    H2   HOH 243           H2       HOH  58  -0.021  -7.517   4.079
  320    H1   HOH 244           H1       HOH 134 -11.078   6.372   1.656
  321    H2   HOH 244           H2       HOH 134  -9.921   6.742   0.751
  322    H1   HOH 245           H1       HOH 108  15.952  -6.137   4.115
  323    H2   HOH 245           H2       HOH 108  16.485  -6.054   2.697
  324    H1   HOH 246           H1       HOH 123 -14.705   1.482  -1.309
  325    H2   HOH 246           H2       HOH 123 -14.736   1.368  -2.819
  326    H1   HOH 247           H1       HOH  97   7.435  -8.308 -11.306
  327    H2   HOH 247           H2       HOH  97   7.510  -9.607 -10.532
  328    H1   HOH 248           H1       HOH 162   4.213  -2.351 -11.861
  329    H2   HOH 248           H2       HOH 162   2.917  -2.294 -11.081
  330    H1   HOH 249           H1       HOH 111  15.353  -7.960   2.434
  331    H2   HOH 249           H2       HOH 111  15.472  -9.466   2.346
  332    H1   HOH 250           H1       HOH 137  -0.436  -1.114 -12.383
  333    H2   HOH 250           H2       HOH 137  -0.523   0.332 -11.948
  334    H1   HOH 251           H1       HOH  28  -7.487   3.915   8.068
  335    H2   HOH 251           H2       HOH  28  -7.863   3.208   9.349
  336    H1   HOH 252           H1       HOH 104  14.848  -2.732  -0.137
  337    H2   HOH 252           H2       HOH 104  15.567  -2.444   1.167
  338    H1   HOH 253           H1       HOH  74   3.063  -5.344   4.802
  339    H2   HOH 253           H2       HOH  74   1.941  -5.386   5.817
  340    H1   HOH 254           H1       HOH  45  -1.875 -12.687  -6.635
  341    H2   HOH 254           H2       HOH  45  -0.770 -13.721  -6.640
  342    H1   HOH 255           H1       HOH 153  -3.396   4.241  -5.950
  343    H2   HOH 255           H2       HOH 153  -4.217   3.072  -6.456
  344    H1   HOH 256           H1       HOH  32   4.598 -10.684  -8.685
  345    H2   HOH 256           H2       HOH  32   5.694 -11.704  -8.906
  346    H1   HOH 257           H1       HOH  93   7.608  -8.744  -8.421
  347    H2   HOH 257           H2       HOH  93   6.577  -9.611  -7.735
  348    H1   HOH 258           H1       HOH 116  13.657  -1.640   4.396
  349    H2   HOH 258           H2       HOH 116  12.972  -2.966   4.137
  350    H1   HOH 259           H1       HOH  75   6.915  -6.660   2.106
  351    H2   HOH 259           H2       HOH  75   6.535  -8.007   2.685
  352    H1   HOH 260           H1       HOH 188  -9.520   7.009  -3.003
  353    H2   HOH 260           H2       HOH 188 -10.961   6.692  -2.666
  354    H1   HOH 261           H1       HOH   5  -9.665 -11.204   2.066
  355    H2   HOH 261           H2       HOH   5 -10.797 -10.200   2.073
  356    H1   HOH 262           H1       HOH  86  -5.169  -2.710  10.573
  357    H2   HOH 262           H2       HOH  86  -4.312  -3.383   9.524
  358    H1   HOH 263           H1       HOH 159  -2.904  -7.484 -11.222
  359    H2   HOH 263           H2       HOH 159  -4.318  -7.777 -10.758
  360    H1   HOH 264           H1       HOH 157 -10.343   4.936  -4.153
  361    H2   HOH 264           H2       HOH 157  -9.413   4.211  -5.100
  362    H1   HOH 265           H1       HOH  17 -11.677  -2.452   5.667
  363    H2   HOH 265           H2       HOH  17 -11.540  -3.860   5.121
  364    H1   HOH 266           H1       HOH 147   0.922  -1.165 -13.876
  365    H2   HOH 266           H2       HOH 147   1.801  -1.938 -12.911
  366    H1   HOH 267           H1       HOH 112  16.476  -4.351   1.084
  367    H2   HOH 267           H2       HOH 112  17.895  -4.854   0.925
  368    H1   HOH 268           H1       HOH 142  -2.128  -5.687 -12.982
  369    H2   HOH 268           H2       HOH 142  -1.312  -6.922 -12.665
  370    H1   HOH 269           H1       HOH  25 -15.728  -3.060   6.749
  371    H2   HOH 269           H2       HOH  25 -15.835  -1.963   7.785
  372    H1   HOH 270           H1       HOH 131 -14.993   5.920  -0.223
  373    H2   HOH 270           H2       HOH 131 -14.235   5.304   0.933
  374    H1   HOH 271           H1       HOH 187   9.958  10.636   5.215
  375    H2   HOH 271           H2       HOH 187  10.502  10.361   3.831
  376    H1   HOH 272           H1       HOH  57  -0.309  -7.793   0.573
  377    H2   HOH 272           H2       HOH  57   0.240  -7.120   1.816
  378    H1   HOH 273           H1       HOH 140  -5.324  -4.101 -11.591
  379    H2   HOH 273           H2       HOH 140  -6.673  -4.510 -11.039
  380    H1   HOH 274           H1       HOH 127 -12.762  -3.004  -4.276
  381    H2   HOH 274           H2       HOH 127 -13.296  -3.776  -3.089
  382    H1   HOH 275           H1       HOH  15 -11.293 -12.466  -1.652
  383    H2   HOH 275           H2       HOH  15 -11.476 -12.286  -3.147
  384    H1   HOH 276           H1       HOH  26 -10.810  -2.090   9.057
  385    H2   HOH 276           H2       HOH  26 -11.312  -1.686   7.687
  386    H1   HOH 277           H1       HOH 118  11.934   6.170   4.566
  387    H2   HOH 277           H2       HOH 118  13.006   7.234   4.527
  388    H1   HOH 278           H1       HOH 117  13.192   0.151   5.844
  389    H2   HOH 278           H2       HOH 117  14.447  -0.398   6.490
  390    H1   HOH 279           H1       HOH 113  10.171  -5.172   4.391
  391    H2   HOH 279           H2       HOH 113  10.510  -3.779   4.882
  392    H1   HOH 280           H1       HOH  22  -9.668   3.277   7.474
  393    H2   HOH 280           H2       HOH  22 -11.085   2.950   7.885
  394    H1   HOH 281           H1       HOH 115  13.871  -2.445  -2.064
  395    H2   HOH 281           H2       HOH 115  13.179  -1.152  -1.678
  396    H1   HOH 282           H1       HOH 178   0.151   7.044  -3.634
  397    H2   HOH 282           H2       HOH 178  -0.611   7.049  -2.324
  398    H1   HOH 283           H1       HOH 169   3.106   6.706  -8.156
  399    H2   HOH 283           H2       HOH 169   2.668   5.747  -7.072
  400    H1   HOH 284           H1       HOH  37  -4.009 -12.491  -7.764
  401    H2   HOH 284           H2       HOH  37  -3.032 -11.607  -8.510
  402    H1   HOH 285           H1       HOH  70  -1.014   1.340  10.930
  403    H2   HOH 285           H2       HOH  70  -1.140  -0.132  11.268
  404    H1   HOH 286           H1       HOH 189   6.743   2.764  -7.874
  405    H2   HOH 286           H2       HOH 189   6.438   3.952  -6.988
  406    H1   HOH 287           H1       HOH 179  -0.368   8.135  -0.214
  407    H2   HOH 287           H2       HOH 179   0.548   6.983  -0.572
  408    H1   HOH 288           H1       HOH 185   6.427   9.434  -1.888
  409    H2   HOH 288           H2       HOH 185   7.662  10.152  -2.373
  410    H1   HOH 289           H1       HOH  66   2.942   5.512   4.262
  411    H2   HOH 289           H2       HOH  66   1.738   5.456   5.179
  412    H1   HOH 290           H1       HOH 145  -9.366   0.040  -7.233
  413    H2   HOH 290           H2       HOH 145 -10.394  -0.274  -6.170
  414    H1   HOH 291           H1       HOH 101  20.538   4.363  -0.012
  415    H2   HOH 291           H2       HOH 101  19.996   5.293   1.053
  416    H1   HOH 292           H1       HOH 152   0.790  -7.486 -13.927
  417    H2   HOH 292           H2       HOH 152   0.899  -7.763 -12.443
  418    H1   HOH 293           H1       HOH 105  12.875  -6.709   5.445
  419    H2   HOH 293           H2       HOH 105  12.426  -5.330   5.014
  420    H1   HOH 294           H1       HOH  71  -5.350  -6.378  11.484
  421    H2   HOH 294           H2       HOH  71  -4.982  -5.272  10.517
  422    H1   HOH 295           H1       HOH  83   9.801  -1.893   6.189
  423    H2   HOH 295           H2       HOH  83   8.576  -2.359   5.436
  424    H1   HOH 296           H1       HOH  24 -17.367  -0.733   6.582
  425    H2   HOH 296           H2       HOH  24 -18.028   0.629   6.550
  426    H1   HOH 297           H1       HOH 184  -7.490   7.985   5.144
  427    H2   HOH 297           H2       HOH 184  -6.521   6.873   5.487
  428    H1   HOH 298           H1       HOH 154  -1.903   6.232  -6.702
  429    H2   HOH 298           H2       HOH 154  -2.860   6.272  -5.528
  430    H1   HOH 299           H1       HOH  41  -0.204 -11.780 -11.512
  431    H2   HOH 299           H2       HOH  41   0.185 -10.634 -10.604
  432    H1   HOH 300           H1       HOH 196   7.032  -6.711 -12.846
  433    H2   HOH 300           H2       HOH 196   6.950  -7.906 -13.773
  434    H1   HOH 301           H1       HOH  46   6.720  -9.294   0.763
  435    H2   HOH 301           H2       HOH  46   5.897 -10.264   1.587
  436    H1   HOH 302           H1       HOH   1 -13.901  -9.416  -5.669
  437    H2   HOH 302           H2       HOH   1 -15.290 -10.022  -5.632
  438    H1   HOH 303           H1       HOH 176  -5.234   5.978   7.288
  439    H2   HOH 303           H2       HOH 176  -4.319   6.678   6.305
  440    H1   HOH 304           H1       HOH 121 -16.431   2.210   0.357
  441    H2   HOH 304           H2       HOH 121 -15.519   3.373   0.009
  442    H1   HOH 305           H1       HOH 171  -2.395   6.902  -3.666
  443    H2   HOH 305           H2       HOH 171  -3.491   7.942  -3.761
  444    H1   HOH 306           H1       HOH  54  -7.319 -11.430   2.440
  445    H2   HOH 306           H2       HOH  54  -7.474  -9.941   2.658
  446    H1   HOH 307           H1       HOH 167  -7.496   6.480   1.480
  447    H2   HOH 307           H2       HOH 167  -7.774   7.723   0.666
  448    H1   HOH 308           H1       HOH 195   6.409  -2.096 -11.564
  449    H2   HOH 308           H2       HOH 195   6.438  -3.601 -11.751
  450    H1   HOH 309           H1       HOH  40   2.536 -10.932   1.583
  451    H2   HOH 309           H2       HOH  40   3.741 -11.634   2.176
  452    H1   HOH 310           H1       HOH  55  -0.569  -5.307   0.662
  453    H2   HOH 310           H2       HOH  55  -0.824  -4.310   1.770
  454    H1   HOH 311           H1       HOH 193   8.480  -4.620 -12.282
  455    H2   HOH 311           H2       HOH 193   7.859  -5.303 -11.082
  456    H1   HOH 312           H1       HOH  10 -16.750  -6.616   2.037
  457    H2   HOH 312           H2       HOH  10 -16.516  -5.125   2.154
  458    H1   HOH 313           H1       HOH  73  10.518  -0.432   8.045
  459    H2   HOH 313           H2       HOH  73   9.597   0.236   7.049
  460    H1   HOH 314           H1       HOH 136  -2.512  -0.662 -11.035
  461    H2   HOH 314           H2       HOH 136  -3.143   0.345 -10.100
  462    H1   HOH 315           H1       HOH  76   6.795   3.988   7.418
  463    H2   HOH 315           H2       HOH  76   7.850   4.732   6.629
  464    H1   HOH 316           H1       HOH 130 -11.391   4.202   4.344
  465    H2   HOH 316           H2       HOH 130 -11.310   3.272   5.538
  466    H1   HOH 317           H1       HOH 166  -6.514   6.447   3.358
  467    H2   HOH 317           H2       HOH 166  -5.276   5.706   2.900
  468    H1   HOH 318           H1       HOH 177  -4.808   5.874  -3.981
  469    H2   HOH 318           H2       HOH 177  -4.914   4.506  -4.623
  470    H1   HOH 319           H1       HOH  29  -9.765  -3.522   7.404
  471    H2   HOH 319           H2       HOH  29  -8.370  -4.106   7.381
  472    H1   HOH 320           H1       HOH 148  -6.678  -6.845 -11.272
  473    H2   HOH 320           H2       HOH 148  -6.212  -8.140 -11.903
  474    H1   HOH 321           H1       HOH 129 -15.203   8.409  -1.129
  475    H2   HOH 321           H2       HOH 129 -15.690   7.202  -1.902
  476    H1   HOH 322           H1       HOH  51   7.491  -8.224  -5.921
  477    H2   HOH 322           H2       HOH  51   8.010  -6.925  -5.337
  478    H1   HOH 323           H1       HOH 114  20.632   7.117   2.414
  479    H2   HOH 323           H2       HOH 114  20.862   5.896   3.277
  480    H1   HOH 324           H1       HOH   6 -15.529 -10.736  -0.514
  481    H2   HOH 324           H2       HOH   6 -16.910 -10.723  -1.135
  482    H1   HOH 325           H1       HOH 141  -2.279   2.741  -9.733
  483    H2   HOH 325           H2       HOH 141  -3.487   2.297  -8.936
  484    H1   HOH 326           H1       HOH  79  -1.115  -4.664  11.456
  485    H2   HOH 326           H2       HOH  79  -1.024  -4.306  12.925
  486    H1   HOH 327           H1       HOH 100  11.211  -5.151  -4.626
  487    H2   HOH 327           H2       HOH 100  12.258  -6.245  -4.626
  488    H1   HOH 328           H1       HOH   2 -14.376  -6.459   2.114
  489    H2   HOH 328           H2       HOH   2 -13.485  -6.523   3.338
  490    H1   HOH 329           H1       HOH   3 -16.170  -9.001  -2.393
  491    H2   HOH 329           H2       HOH   3 -15.626  -8.848  -3.799
  492    H1   HOH 330           H1       HOH 151   1.983   6.507 -10.592
  493    H2   HOH 330           H2       HOH 151   1.451   6.150 -11.961
  494    H1   HOH 331           H1       HOH  60   8.157  -5.919  -0.024
  495    H2   HOH 331           H2       HOH  60   7.296  -7.164  -0.005
  496    H1   HOH 332           H1       HOH  48  -3.174  -9.697 -10.174
  497    H2   HOH 332           H2       HOH  48  -2.257 -10.893 -10.336
  498    H1   HOH 333           H1       HOH  30  -2.346 -13.128  -1.879
  499    H2   HOH 333           H2       HOH  30  -1.383 -13.758  -0.896
  500    H1   HOH 334           H1       HOH  52  -3.712  -8.196   6.946
  501    H2   HOH 334           H2       HOH  52  -5.208  -8.423   6.969
  502    H1   HOH 335           H1       HOH 103  14.833  -1.390   2.830
  503    H2   HOH 335           H2       HOH 103  15.175  -0.465   1.675
  504    H1   HOH 336           H1       HOH  95  13.233  -4.141  -3.717
  505    H2   HOH 336           H2       HOH  95  14.622  -3.607  -4.005
  506    H1   HOH 337           H1       HOH  92   9.425  -1.919  -4.436
  507    H2   HOH 337           H2       HOH  92   8.662  -1.722  -5.727
  508    H1   HOH 338           H1       HOH  90   9.743  -8.930  -3.074
  509    H2   HOH 338           H2       HOH  90   8.586  -8.107  -3.606
  510    H1   HOH 339           H1       HOH 135 -11.346   6.667   4.021
  511    H2   HOH 339           H2       HOH 135 -10.266   5.656   3.698
  512    H1   HOH 340           H1       HOH  50  -1.484  -9.806   0.933
  513    H2   HOH 340           H2       HOH  50  -1.532  -9.636  -0.571
  514    H1   HOH 341           H1       HOH   8 -10.508  -8.215   3.693
  515    H2   HOH 341           H2       HOH   8  -9.599  -8.776   4.766
  516    H1   HOH 342           H1       HOH  12 -20.290  -4.577   4.202
  517    H2   HOH 342           H2       HOH  12 -19.168  -3.998   5.038
  518    H1   HOH 343           H1       HOH  67   0.995  -1.480  11.645
  519    H2   HOH 343           H2       HOH  67  -0.239  -2.354  11.749
  520    H1   HOH 344           H1       HOH 109  12.519   1.113  -2.504
  521    H2   HOH 344           H2       HOH 109  12.005   0.799  -1.116
  522    H1   HOH 345           H1       HOH 128 -14.622   2.995   3.797
  523    H2   HOH 345           H2       HOH 128 -13.256   2.614   4.334
  524    H1   HOH 346           H1       HOH 173   4.637   7.965  -1.574
  525    H2   HOH 346           H2       HOH 173   4.382   8.166  -3.052
  526    H1   HOH 347           H1       HOH  19 -11.896 -10.068  -6.787
  527    H2   HOH 347           H2       HOH  19 -12.101  -8.626  -7.201
  528    H1   HOH 348           H1       HOH  11 -14.325 -11.259   1.534
  529    H2   HOH 348           H2       HOH  11 -15.113 -12.477   1.100
  530    H1   HOH 349           H1       HOH 160 -11.464  -6.528  -8.132
  531    H2   HOH 349           H2       HOH 160 -10.732  -7.541  -8.983
  532    H1   HOH 350           H1       HOH  13 -12.453  -6.048   5.194
  533    H2   HOH 350           H2       HOH  13 -13.366  -7.163   5.660
  534    H1   HOH 351           H1       HOH  94  10.037  -3.986  -7.995
  535    H2   HOH 351           H2       HOH  94  11.172  -4.978  -7.853
  536    H1   HOH 352           H1       HOH  14 -19.004  -4.021   7.511
  537    H2   HOH 352           H2       HOH  14 -17.886  -3.235   6.856
  538    H1   HOH 353           H1       HOH 198  10.697  -0.089  -4.452
  539    H2   HOH 353           H2       HOH 198  11.108  -0.436  -3.039
  540    H1   HOH 354           H1       HOH  36   0.393 -10.263   1.037
  541    H2   HOH 354           H2       HOH  36   0.125 -11.113   2.258
  542    H1   HOH 355           H1       HOH  78   1.234   2.422  10.790
  543    H2   HOH 355           H2       HOH  78   0.169   3.452  11.104
  544    H1   HOH 356           H1       HOH  20 -12.906  -9.813   2.771
  545    H2   HOH 356           H2       HOH  20 -12.532 -11.270   2.933
  546    H1   HOH 357           H1       HOH 139 -10.768  -1.721  -8.047
  547    H2   HOH 357           H2       HOH 139 -11.348  -1.575  -9.437
  548    H1   HOH 358           H1       HOH  63  -7.431 -11.272  -8.094
  549    H2   HOH 358           H2       HOH  63  -8.008 -10.074  -7.370
  550    H1   HOH 359           H1       HOH 161 -12.828  -4.748  -8.278
  551    H2   HOH 359           H2       HOH 161 -11.621  -3.898  -8.615
  552    H1   HOH 360           H1       HOH  59  -4.970 -14.934  -4.704
  553    H2   HOH 360           H2       HOH  59  -5.420 -13.515  -4.983
  554    H1   HOH 361           H1       HOH 102  17.000  -0.287   2.952
  555    H2   HOH 361           H2       HOH 102  18.347  -0.577   3.579
  556    H1   HOH 362           H1       HOH  81   3.748  -4.706   7.149
  557    H2   HOH 362           H2       HOH  81   5.041  -4.039   7.569
  558    H1   HOH 363           H1       HOH 191   7.672   0.012 -12.507
  559    H2   HOH 363           H2       HOH 191   6.326  -0.086 -11.818
  560    H1   HOH 364           H1       HOH 146   1.154   1.090 -15.056
  561    H2   HOH 364           H2       HOH 146  -0.306   0.720 -14.916
  562    H1   HOH 365           H1       HOH 106  15.394   0.750  -0.565
  563    H2   HOH 365           H2       HOH 106  14.514  -0.476  -0.437
  564    H1   HOH 366           H1       HOH  64   6.291  -8.059  -3.846
  565    H2   HOH 366           H2       HOH  64   5.007  -7.421  -3.354
  566    H1   HOH 367           H1       HOH  98   9.162  -4.091  -5.017
  567    H2   HOH 367           H2       HOH  98   9.669  -5.058  -6.068
  568    H1   HOH 368           H1       HOH 124 -20.194  -0.821   2.021
  569    H2   HOH 368           H2       HOH 124 -19.902  -0.760   0.537
  570    H1   HOH 369           H1       HOH  62 -10.878 -12.404  -6.857
  571    H2   HOH 369           H2       HOH  62  -9.813 -11.329  -6.826
  572    H1   HOH 370           H1       HOH 183   4.575   7.382  -6.820
  573    H2   HOH 370           H2       HOH 183   5.343   8.232  -5.829
  574    H1   HOH 371           H1       HOH 158  -8.249  -5.418 -12.481
  575    H2   HOH 371           H2       HOH 158  -8.805  -5.794 -11.125
  576    H1   HOH 372           H1       HOH 180   2.290   7.223  -4.982
  577    H2   HOH 372           H2       HOH 180   2.592   7.293  -3.499
  578    H1   HOH 373           H1       HOH  39   6.490  -8.511  -1.679
  579    H2   HOH 373           H2       HOH  39   7.958  -8.702  -1.372
  580    H1   HOH 374           H1       HOH 122 -18.345   2.145   1.917
  581    H2   HOH 374           H2       HOH 122 -18.264   0.761   1.310
  582    H1   HOH 375           H1       HOH 194   9.056   0.741  -6.447
  583    H2   HOH 375           H2       HOH 194   8.604  -0.004  -7.684
  584    H1   HOH 376           H1       HOH 125 -15.341  -1.971  -2.147
  585    H2   HOH 376           H2       HOH 125 -15.164  -0.589  -1.552
  586    H1   HOH 377           H1       HOH 138  -5.789   3.042  -8.164
  587    H2   HOH 377           H2       HOH 138  -5.378   1.585  -8.175
  588    H1   HOH 378           H1       HOH 190   7.784  -0.143 -10.090
  589    H2   HOH 378           H2       HOH 190   7.244   0.905  -9.142
  590    H1   HOH 379           H1       HOH  88   7.996  -6.532   3.924
  591    H2   HOH 379           H2       HOH  88   8.570  -6.643   5.321
  592    H1   HOH 380           H1       HOH  18 -10.181  -5.126   5.905
  593    H2   HOH 380           H2       HOH  18 -10.411  -6.338   5.021
  594    H1   HOH 381           H1       HOH  47  -3.662  -9.004   4.837
  595    H2   HOH 381           H2       HOH  47  -2.378  -8.357   4.367
  596    H1   HOH 382           H1       HOH  61  -8.113 -13.790  -2.819
  597    H2   HOH 382           H2       HOH  61  -9.390 -13.082  -3.216
  598    H1   HOH 383           H1       HOH 126 -15.558  -4.612  -2.930
  599    H2   HOH 383           H2       HOH 126 -15.333  -3.899  -1.613
  600    H1   HOH 384           H1       HOH 192   9.865  -1.823  -9.126
  601    H2   HOH 384           H2       HOH 192   9.759  -1.655  -7.627
  602    H1   HOH 385           H1       HOH 150  -7.005   4.771  -4.997
  603    H2   HOH 385           H2       HOH 150  -7.726   5.580  -6.052
  604    H1   HOH 386           H1       HOH  43  -5.203 -11.071  -9.605
  605    H2   HOH 386           H2       HOH  43  -6.223 -12.129  -9.963
  606    H1   HOH 387           H1       HOH 168   4.544  10.055  -4.633
  607    H2   HOH 387           H2       HOH 168   5.713   9.454  -3.881
  608    H1   HOH 388           H1       HOH 144  -8.674   2.467  -7.007
  609    H2   HOH 388           H2       HOH 144  -8.892   2.120  -8.463
  610    H1   HOH 389           H1       HOH 199  13.034   3.422  -2.746
  611    H2   HOH 389           H2       HOH 199  12.567   2.956  -4.108
  612    H1   HOH 390           H1       HOH 143 -10.931  -5.469  -9.907
  613    H2   HOH 390           H2       HOH 143 -11.186  -6.140 -11.239
  614    H1   HOH 391           H1       HOH 181   1.774   7.058   6.896
  615    H2   HOH 391           H2       HOH 181   0.613   6.214   7.376
  616    H1   HOH 392           H1       HOH  35  -7.465 -12.942  -4.886
  617    H2   HOH 392           H2       HOH  35  -7.347 -12.222  -6.214
  618    H1   HOH 393           H1       HOH 119 -17.585  -5.788  -3.841
  619    H2   HOH 393           H2       HOH 119 -16.501  -6.688  -3.282
  620    H1   HOH 394           H1       HOH  38  -5.569 -12.619   3.577
  621    H2   HOH 394           H2       HOH  38  -5.058 -12.549   2.154
  622    H1   HOH 395           H1       HOH  33  -2.519 -10.222   2.931
  623    H2   HOH 395           H2       HOH  33  -2.697 -11.526   2.177
  624    H1   HOH 396           H1       HOH  68   3.705  -0.170   9.194
  625    H2   HOH 396           H2       HOH  68   5.126   0.114   9.634
  626    H1   HOH 397           H1       HOH  49  -3.421 -14.077   1.678
  627    H2   HOH 397           H2       HOH  49  -3.112 -13.085   0.578
  628    H1   HOH 398           H1       HOH  65   3.311  -0.796  11.246
  629    H2   HOH 398           H2       HOH  65   3.148  -1.303  12.663
  630    H1   HOH 399           H1       HOH  69   3.686   2.849  11.409
  631    H2   HOH 399           H2       HOH  69   3.400   1.607  10.592
  Start of MODEL    4
    1    HA   PRO  62           HA       PRO  62  -9.107  -7.440  -3.770
    2    HB2  PRO  62           HB2      PRO  62 -11.018  -6.656  -2.081
    3    HB3  PRO  62           HB3      PRO  62 -11.460  -7.244  -3.712
    4    HG2  PRO  62           HG2      PRO  62 -11.626  -8.730  -1.079
    5    HG3  PRO  62           HG3      PRO  62 -12.764  -8.766  -2.461
    6    HD2  PRO  62           HD2      PRO  62 -10.611 -10.571  -1.899
    7    HD3  PRO  62           HD3      PRO  62 -11.589 -10.529  -3.387
    8    H    PHE  63           H        PHE  63  -8.349  -5.997  -2.021
    9    HA   PHE  63           HA       PHE  63  -7.406  -7.391   0.454
   10    HB2  PHE  63           HB2      PHE  63  -5.658  -5.793  -1.446
   11    HB3  PHE  63           HB3      PHE  63  -5.162  -6.507   0.085
   12    HD1  PHE  63           HD1      PHE  63  -5.412  -7.016  -3.455
   13    HD2  PHE  63           HD2      PHE  63  -5.310  -9.082   0.331
   14    HE1  PHE  63           HE1      PHE  63  -4.643  -9.083  -4.597
   15    HE2  PHE  63           HE2      PHE  63  -4.557 -11.139  -0.819
   16    HZ   PHE  63           HZ       PHE  63  -4.219 -11.148  -3.282
   17    H    ALA  64           H        ALA  64  -8.206  -6.261   2.098
   18    HA   ALA  64           HA       ALA  64  -8.218  -3.312   2.191
   19    HB1  ALA  64           HB1      ALA  64  -8.864  -5.433   4.263
   20    HB2  ALA  64           HB2      ALA  64  -9.025  -3.674   4.493
   21    HB3  ALA  64           HB3      ALA  64 -10.031  -4.508   3.290
   22    H    CYS  65           H        CYS  65  -7.001  -2.084   3.667
   23    HA   CYS  65           HA       CYS  65  -4.216  -3.071   3.966
   24    HB2  CYS  65           HB2      CYS  65  -5.431  -0.287   4.010
   25    HB3  CYS  65           HB3      CYS  65  -3.690  -0.668   4.110
   26    H    ASP  66           H        ASP  66  -3.595  -3.753   5.889
   27    HA   ASP  66           HA       ASP  66  -4.580  -2.832   8.414
   28    HB2  ASP  66           HB2      ASP  66  -3.049  -4.920   7.531
   29    HB3  ASP  66           HB3      ASP  66  -1.770  -3.878   8.146
   30    H    ILE  67           H        ILE  67  -3.147  -0.991   6.237
   31    HA   ILE  67           HA       ILE  67  -1.473   0.654   8.104
   32    HB   ILE  67           HB       ILE  67  -1.227   0.480   5.084
   33   HG12  ILE  67          2HG1      ILE  67  -0.488  -1.660   5.966
   34   HG13  ILE  67          3HG1      ILE  67   0.857  -0.729   5.348
   35   HG21  ILE  67          HG21      ILE  67  -0.490   2.637   5.887
   36   HG22  ILE  67          HG22      ILE  67   0.481   1.892   7.170
   37   HG23  ILE  67          HG23      ILE  67   0.938   1.688   5.469
   38   HD11  ILE  67          1HD1      ILE  67   1.558  -0.153   7.658
   39   HD12  ILE  67          2HD1      ILE  67   0.176  -1.077   8.297
   40   HD13  ILE  67          3HD1      ILE  67   1.460  -1.903   7.406
   41    H    CYS  68           H        CYS  68  -3.762   0.805   5.360
   42    HA   CYS  68           HA       CYS  68  -4.297   3.660   5.882
   43    HB2  CYS  68           HB2      CYS  68  -4.980   1.871   3.512
   44    HB3  CYS  68           HB3      CYS  68  -5.184   3.628   3.610
   45    H    GLY  69           H        GLY  69  -5.881   0.633   6.432
   46    HA2  GLY  69           HA2      GLY  69  -7.993  -0.030   6.952
   47    HA3  GLY  69           HA3      GLY  69  -8.409   1.659   7.224
   48    H    ARG  70           H        ARG  70  -7.644   2.102   4.249
   49    HA   ARG  70           HA       ARG  70 -10.166   1.653   2.914
   50    HB2  ARG  70           HB2      ARG  70  -7.378   2.432   1.975
   51    HB3  ARG  70           HB3      ARG  70  -8.717   2.210   0.837
   52    HG2  ARG  70           HG2      ARG  70 -10.038   3.916   2.065
   53    HG3  ARG  70           HG3      ARG  70  -8.638   4.203   3.128
   54    HD2  ARG  70           HD2      ARG  70  -7.276   4.938   1.276
   55    HD3  ARG  70           HD3      ARG  70  -8.490   4.438   0.102
   56    HE   ARG  70           HE       ARG  70  -8.856   6.668   2.091
   57   HH11  ARG  70          1HH1      ARG  70 -10.487   6.814  -1.563
   58   HH12  ARG  70          2HH1      ARG  70  -9.892   5.273  -0.962
   59   HH21  ARG  70          1HH2      ARG  70 -10.435   8.574  -0.316
   60   HH22  ARG  70          2HH2      ARG  70  -9.663   8.579   1.252
   61    H    LYS  71           H        LYS  71 -10.319   0.510   0.796
   62    HA   LYS  71           HA       LYS  71  -8.967  -2.134   0.808
   63    HB2  LYS  71           HB2      LYS  71 -11.085  -3.308   0.582
   64    HB3  LYS  71           HB3      LYS  71 -11.016  -2.374   2.073
   65    HG2  LYS  71           HG2      LYS  71 -12.319  -0.525   0.675
   66    HG3  LYS  71           HG3      LYS  71 -12.645  -1.851  -0.426
   67    HD2  LYS  71           HD2      LYS  71 -14.509  -1.868   1.004
   68    HD3  LYS  71           HD3      LYS  71 -13.484  -3.135   1.699
   69    HE2  LYS  71           HE2      LYS  71 -12.532  -1.246   3.227
   70    HE3  LYS  71           HE3      LYS  71 -13.863  -0.248   2.627
   71    HZ1  LYS  71           HZ1      LYS  71 -14.593  -1.293   4.633
   72    HZ2  LYS  71           HZ2      LYS  71 -15.359  -2.106   3.434
   73    HZ3  LYS  71           HZ3      LYS  71 -14.049  -2.759   4.195
   74    H    PHE  72           H        PHE  72  -8.330  -2.938  -0.990
   75    HA   PHE  72           HA       PHE  72  -8.928  -1.432  -3.501
   76    HB2  PHE  72           HB2      PHE  72  -6.271  -2.475  -2.451
   77    HB3  PHE  72           HB3      PHE  72  -6.515  -1.658  -3.987
   78    HD1  PHE  72           HD1      PHE  72  -6.831   0.764  -4.116
   79    HD2  PHE  72           HD2      PHE  72  -6.446  -1.201  -0.294
   80    HE1  PHE  72           HE1      PHE  72  -6.500   2.961  -3.017
   81    HE2  PHE  72           HE2      PHE  72  -6.127   0.984   0.799
   82    HZ   PHE  72           HZ       PHE  72  -6.140   3.090  -0.565
   83    H    ALA  73           H        ALA  73  -8.419  -2.500  -5.478
   84    HA   ALA  73           HA       ALA  73  -9.613  -5.011  -5.749
   85    HB1  ALA  73           HB1      ALA  73  -9.713  -3.307  -7.453
   86    HB2  ALA  73           HB2      ALA  73  -7.952  -3.312  -7.658
   87    HB3  ALA  73           HB3      ALA  73  -8.909  -4.724  -8.146
   88    H    ARG  74           H        ARG  74  -6.419  -4.645  -7.223
   89    HA   ARG  74           HA       ARG  74  -5.254  -6.973  -5.866
   90    HB2  ARG  74           HB2      ARG  74  -6.841  -8.098  -7.325
   91    HB3  ARG  74           HB3      ARG  74  -6.242  -7.233  -8.739
   92    HG2  ARG  74           HG2      ARG  74  -4.170  -8.423  -8.734
   93    HG3  ARG  74           HG3      ARG  74  -4.433  -9.036  -7.085
   94    HD2  ARG  74           HD2      ARG  74  -6.269 -10.442  -7.806
   95    HD3  ARG  74           HD3      ARG  74  -6.291  -9.687  -9.405
   96    HE   ARG  74           HE       ARG  74  -4.402 -10.901 -10.080
   97   HH11  ARG  74          1HH1      ARG  74  -3.379 -13.908  -8.795
   98   HH12  ARG  74          2HH1      ARG  74  -3.414 -12.825 -10.176
   99   HH21  ARG  74          1HH2      ARG  74  -3.770 -13.032  -6.833
  100   HH22  ARG  74          2HH2      ARG  74  -4.590 -11.490  -6.691
  101    H    SER  75           H        SER  75  -5.048  -5.159  -8.924
  102    HA   SER  75           HA       SER  75  -3.383  -3.853  -9.803
  103    HB2  SER  75           HB2      SER  75  -3.343  -3.034  -6.887
  104    HB3  SER  75           HB3      SER  75  -2.720  -2.070  -8.242
  105    HG   SER  75           HG       SER  75  -4.685  -1.703  -8.946
  106    H    OUD  76           H        OUD  76  -2.034  -5.768 -10.284
  107    HA   OUD  76           HA       OUD  76   0.491  -5.928  -8.725
  108    HB3  OUD  76           HB3      OUD  76  -0.716  -7.982  -9.484
  109    HB2  OUD  76           HB2      OUD  76  -0.491  -7.502 -11.145
  110    HM3  OUD  76           HM3      OUD  76   1.908  -5.273 -10.513
  111    HM2  OUD  76           HM2      OUD  76   0.629  -5.447 -11.715
  112    HN2  OUD  76           HN2      OUD  76  -0.401  -3.426 -10.952
  113    H    OUE  77           H        OUE  77  -0.620  -1.690  -9.757
  114    HA   OUE  77           HA       OUE  77   1.696  -0.858  -8.084
  115    HB3  OUE  77           HB3      OUE  77   1.725   0.532 -10.114
  116    HB2  OUE  77           HB2      OUE  77   0.025   0.902  -9.905
  117    HG3  OUE  77           HG3      OUE  77   0.674   2.050  -7.642
  118    HG2  OUE  77           HG2      OUE  77   2.347   1.832  -8.145
  119    HM2  OUE  77           HM2      OUE  77  -1.226  -0.005  -7.816
  120    HM3  OUE  77           HM3      OUE  77   0.092   0.339  -6.675
  121    HN2  OUE  77           HN2      OUE  77  -0.579  -2.466  -7.236
  122    H    OUK  78           H        OUK  78  -1.456  -3.656  -5.680
  123    HA   OUK  78           HA       OUK  78   0.493  -2.985  -3.567
  124    HB2  OUK  78           HB2      OUK  78  -0.238  -5.172  -2.431
  125    HB3  OUK  78           HB3      OUK  78  -1.663  -5.161  -3.466
  126    HG2  OUK  78           HG2      OUK  78  -2.142  -2.775  -2.508
  127    HG3  OUK  78           HG3      OUK  78  -0.858  -3.095  -1.347
  128    HD2  OUK  78           HD2      OUK  78  -2.169  -5.155  -0.574
  129    HD3  OUK  78           HD3      OUK  78  -3.452  -4.697  -1.700
  130    HE2  OUK  78           HE2      OUK  78  -3.595  -2.431  -0.521
  131    HE3  OUK  78           HE3      OUK  78  -2.429  -3.048   0.675
  132    HZ3  OUK  78           HZ3      OUK  78  -4.089  -4.696   1.339
  133    HZ1  OUK  78           HZ1      OUK  78  -5.198  -4.044   0.259
  134    HZ2  OUK  78           HZ2      OUK  78  -4.623  -3.124   1.525
  135    HM3  OUK  78           HM3      OUK  78   1.482  -5.170  -4.186
  136    HM2  OUK  78           HM2      OUK  78   0.158  -5.456  -5.327
  137    HN2  OUK  78           HN2      OUK  78   1.009  -3.818  -6.786
  138    H    OUR  79           H        OUR  79   2.699  -2.718  -7.736
  139    HA   OUR  79           HA       OUR  79   5.075  -2.081  -6.044
  140    HB3  OUR  79           HB3      OUR  79   4.669  -1.609  -9.043
  141    HB2  OUR  79           HB2      OUR  79   6.123  -1.253  -8.123
  142    HG3  OUR  79           HG3      OUR  79   6.461  -3.660  -7.646
  143    HG2  OUR  79           HG2      OUR  79   4.974  -4.067  -8.518
  144    HD3  OUR  79           HD3      OUR  79   5.873  -3.127 -10.612
  145    HD2  OUR  79           HD2      OUR  79   7.329  -2.574  -9.768
  146    HE   OUR  79           HE       OUR  79   6.521  -5.431  -9.868
  147   HH12  OUR  79          2HH1      OUR  79  10.356  -4.254 -10.515
  148   HH11  OUR  79          1HH1      OUR  79   9.193  -3.036 -10.200
  149   HH22  OUR  79          2HH2      OUR  79   8.072  -6.971 -10.442
  150    HM2  OUR  79           HM2      OUR  79   3.678   0.031  -7.727
  151    HM3  OUR  79           HM3      OUR  79   4.931   0.247  -6.505
  152    HN2  OUR  79           HN2      OUR  79   2.128  -0.596  -5.921
  153   HH21  OUR  79          1HH2      OUR  79   9.690  -6.533 -10.811
  154    H    OUH  80           H        OUH  80   0.886   0.810  -4.935
  155    HA   OUH  80           HA       OUH  80   2.368   2.326  -2.866
  156    HB2  OUH  80           HB2      OUH  80   0.124   3.205  -4.066
  157    HB3  OUH  80           HB3      OUH  80   0.607   3.597  -2.443
  158    HD2  OUH  80           HD2      OUH  80  -0.569   2.460  -0.415
  159    HD1  OUH  80           HD1      OUH  80  -2.336   1.755  -4.147
  160    HE1  OUH  80           HE1      OUH  80  -4.029   1.270  -2.239
  161    HM2  OUH  80           HM2      OUH  80   0.366   0.138  -2.180
  162    HM3  OUH  80           HM3      OUH  80   1.545   0.938  -1.121
  163    HN2  OUH  80           HN2      OUH  80   2.376  -0.745  -3.430
  164    H    OUK  81           H        OUK  81   4.103  -1.976  -3.236
  165    HA   OUK  81           HA       OUK  81   5.592  -1.755  -0.660
  166    HB2  OUK  81           HB2      OUK  81   6.730  -3.879  -1.176
  167    HB3  OUK  81           HB3      OUK  81   5.777  -4.080  -2.643
  168    HG2  OUK  81           HG2      OUK  81   3.685  -4.274  -1.285
  169    HG3  OUK  81           HG3      OUK  81   4.610  -3.999   0.190
  170    HD2  OUK  81           HD2      OUK  81   5.976  -6.055  -0.307
  171    HD3  OUK  81           HD3      OUK  81   5.002  -6.344  -1.752
  172    HE2  OUK  81           HE2      OUK  81   2.978  -6.709  -0.392
  173    HE3  OUK  81           HE3      OUK  81   3.826  -6.181   1.077
  174    HZ3  OUK  81           HZ3      OUK  81   4.441  -8.666  -0.449
  175    HZ1  OUK  81           HZ1      OUK  81   3.644  -8.570   1.022
  176    HZ2  OUK  81           HZ2      OUK  81   5.245  -8.121   0.922
  177    HM3  OUK  81           HM3      OUK  81   7.626  -1.590  -1.931
  178    HM2  OUK  81           HM2      OUK  81   6.812  -2.058  -3.431
  179    HN2  OUK  81           HN2      OUK  81   5.947   0.077  -3.698
  180    H    OUI  82           H        OUI  82   6.039   2.206  -3.506
  181    HA   OUI  82           HA       OUI  82   6.820   3.362  -0.877
  182    HB   OUI  82           HB       OUI  82   6.932   5.557  -2.055
  183   3HG1  OUI  82          3HG1      OUI  82   6.828   3.911  -4.654
  184   2HG1  OUI  82          2HG1      OUI  82   5.550   4.967  -4.084
  185   1HG2  OUI  82          1HG2      OUI  82   8.938   4.146  -1.519
  186   2HG2  OUI  82          2HG2      OUI  82   9.207   5.216  -2.887
  187   3HG2  OUI  82          3HG2      OUI  82   8.904   3.489  -3.160
  188   2HD1  OUI  82          2HD1      OUI  82   8.347   5.866  -4.928
  189   3HD1  OUI  82          3HD1      OUI  82   7.118   6.925  -4.201
  190   1HD1  OUI  82          1HD1      OUI  82   6.819   6.156  -5.764
  191    HM2  OUI  82           HM2      OUI  82   4.360   4.074  -2.536
  192    HM3  OUI  82           HM3      OUI  82   4.845   4.785  -0.986
  193    HN2  OUI  82           HN2      OUI  82   4.383   1.871  -1.207
  194    H    OUH  83           H        OUH  83   3.809   0.895   0.533
  195    HA   OUH  83           HA       OUH  83   3.012   2.485   2.912
  196    HB2  OUH  83           HB2      OUH  83   2.658   0.384   4.062
  197    HB3  OUH  83           HB3      OUH  83   3.388  -0.534   2.763
  198    HD2  OUH  83           HD2      OUH  83   0.514   2.185   2.430
  199    HD1  OUH  83           HD1      OUH  83   1.419  -1.860   1.618
  200    HE1  OUH  83           HE1      OUH  83  -0.858  -1.203   0.578
  201    HM2  OUH  83           HM2      OUH  83   4.961   1.431   4.130
  202    HM3  OUH  83           HM3      OUH  83   5.407   2.622   2.902
  203    HN2  OUH  83           HN2      OUH  83   5.694   0.499   1.411
  204    H    ARG  84           H        ARG  84   7.738  -0.074   0.991
  205    HA   ARG  84           HA       ARG  84   9.777  -0.545   3.046
  206    HB2  ARG  84           HB2      ARG  84   9.896  -1.400   0.698
  207    HB3  ARG  84           HB3      ARG  84   9.983   0.264   0.100
  208    HG2  ARG  84           HG2      ARG  84  12.153   0.569   1.304
  209    HG3  ARG  84           HG3      ARG  84  12.040  -1.101   1.892
  210    HD2  ARG  84           HD2      ARG  84  12.078  -1.886  -0.480
  211    HD3  ARG  84           HD3      ARG  84  12.187  -0.207  -1.021
  212    HE   ARG  84           HE       ARG  84  14.361   0.012  -0.027
  213   HH11  ARG  84          1HH1      ARG  84  16.392  -0.912   0.351
  214   HH12  ARG  84          2HH1      ARG  84  16.518  -2.648   0.492
  215   HH21  ARG  84          1HH2      ARG  84  14.976  -3.900   0.017
  216   HH22  ARG  84          2HH2      ARG  84  13.375  -3.313  -0.428
  217    H    LYS  85           H        LYS  85   8.348   2.250   1.618
  218    HA   LYS  85           HA       LYS  85  10.020   4.205   2.992
  219    HB2  LYS  85           HB2      LYS  85  10.422   3.462   0.105
  220    HB3  LYS  85           HB3      LYS  85  10.193   5.175   0.383
  221    HG2  LYS  85           HG2      LYS  85  12.019   4.907   2.252
  222    HG3  LYS  85           HG3      LYS  85  12.372   3.375   1.427
  223    HD2  LYS  85           HD2      LYS  85  13.829   4.961   0.495
  224    HD3  LYS  85           HD3      LYS  85  12.586   4.733  -0.735
  225    HE2  LYS  85           HE2      LYS  85  11.461   6.829  -0.043
  226    HE3  LYS  85           HE3      LYS  85  12.587   7.015   1.305
  227    HZ1  LYS  85           HZ1      LYS  85  13.286   8.387  -0.508
  228    HZ2  LYS  85           HZ2      LYS  85  14.396   7.215  -0.324
  229    HZ3  LYS  85           HZ3      LYS  85  13.342   7.109  -1.570
  230    H    ASP  86           H        ASP  86   9.443   6.373   2.297
  231    HA   ASP  86           HA       ASP  86   6.809   6.882   1.136
  232    HB2  ASP  86           HB2      ASP  86   6.687   6.560   3.681
  233    HB3  ASP  86           HB3      ASP  86   7.719   7.960   3.837
  234    H1   HOH 201           H1       HOH 156  -1.584   4.258   0.656
  235    H2   HOH 201           H2       HOH 156  -2.446   3.855   1.842
  236    H1   HOH 202           H1       HOH  85   0.052  -5.498  11.522
  237    H2   HOH 202           H2       HOH  85  -0.929  -5.723  10.392
  238    H1   HOH 203           H1       HOH  46  -3.141  -6.889   9.255
  239    H2   HOH 203           H2       HOH  46  -3.531  -8.345   9.401
  240    H1   HOH 204           H1       HOH  90  -5.479  -4.417  11.070
  241    H2   HOH 204           H2       HOH  90  -5.732  -4.290  12.559
  242    H1   HOH 205           H1       HOH 188   3.530   7.471   2.767
  243    H2   HOH 205           H2       HOH 188   3.092   7.667   4.198
  244    H1   HOH 206           H1       HOH 177   3.663   3.245  -9.910
  245    H2   HOH 206           H2       HOH 177   4.190   2.399 -11.047
  246    H1   HOH 207           H1       HOH  65  -5.405  -5.511   9.038
  247    H2   HOH 207           H2       HOH  65  -5.289  -6.860   8.365
  248    H1   HOH 208           H1       HOH 184   4.664  11.438   4.263
  249    H2   HOH 208           H2       HOH 184   5.404  10.198   4.714
  250    H1   HOH 209           H1       HOH 186   3.654   9.231   1.528
  251    H2   HOH 209           H2       HOH 186   2.251   8.942   2.014
  252    H1   HOH 210           H1       HOH  36   3.145 -10.524 -12.875
  253    H2   HOH 210           H2       HOH  36   2.706  -9.592 -11.764
  254    H1   HOH 211           H1       HOH  34  -0.753  -9.296 -13.105
  255    H2   HOH 211           H2       HOH  34   0.043  -9.527 -11.838
  256    H1   HOH 212           H1       HOH  51   1.819  -7.150  -6.490
  257    H2   HOH 212           H2       HOH  51   1.981  -8.110  -7.646
  258    H1   HOH 213           H1       HOH  79  -1.218  -0.749  10.270
  259    H2   HOH 213           H2       HOH  79  -1.191  -0.004  11.588
  260    H1   HOH 214           H1       HOH 171  -2.248   2.941 -11.098
  261    H2   HOH 214           H2       HOH 171  -1.283   2.632  -9.980
  262    H1   HOH 215           H1       HOH 151  -1.325   6.095  -8.740
  263    H2   HOH 215           H2       HOH 151  -1.078   4.605  -8.719
  264    H1   HOH 216           H1       HOH 183   5.579   7.326   5.480
  265    H2   HOH 216           H2       HOH 183   5.914   7.488   6.945
  266    H1   HOH 217           H1       HOH  35   1.537 -10.652  -8.204
  267    H2   HOH 217           H2       HOH  35   0.969 -10.113  -9.496
  268    H1   HOH 218           H1       HOH  92   3.582  -7.835 -10.232
  269    H2   HOH 218           H2       HOH  92   4.309  -8.586 -11.328
  270    H1   HOH 219           H1       HOH 123  -8.404   4.412   5.598
  271    H2   HOH 219           H2       HOH 123  -9.754   4.389   6.284
  272    H1   HOH 220           H1       HOH 185  -2.390   5.836   8.039
  273    H2   HOH 220           H2       HOH 185  -2.936   4.427   7.942
  274    H1   HOH 221           H1       HOH 117  12.622   2.349   3.561
  275    H2   HOH 221           H2       HOH 117  13.094   3.484   4.446
  276    H1   HOH 222           H1       HOH  47  -7.770 -10.653  -1.637
  277    H2   HOH 222           H2       HOH  47  -7.017 -11.876  -2.113
  278    H1   HOH 223           H1       HOH  45  -2.793  -6.832   2.520
  279    H2   HOH 223           H2       HOH  45  -4.022  -6.037   2.910
  280    H1   HOH 224           H1       HOH 198  13.827   7.151  -3.878
  281    H2   HOH 224           H2       HOH 198  14.448   5.815  -3.536
  282    H1   HOH 225           H1       HOH  25 -12.130  -9.078  -5.552
  283    H2   HOH 225           H2       HOH  25 -11.700 -10.250  -6.404
  284    H1   HOH 226           H1       HOH  84  -4.464   2.964   8.627
  285    H2   HOH 226           H2       HOH  84  -4.897   4.402   8.797
  286    H1   HOH 227           H1       HOH 122 -10.925   8.631  -3.154
  287    H2   HOH 227           H2       HOH 122 -12.118   7.733  -3.405
  288    H1   HOH 228           H1       HOH  13 -13.027  -4.473   5.817
  289    H2   HOH 228           H2       HOH  13 -11.898  -3.491   5.608
  290    H1   HOH 229           H1       HOH 105  18.494  -0.769   0.046
  291    H2   HOH 229           H2       HOH 105  18.585   0.742   0.015
  292    H1   HOH 230           H1       HOH 102  17.254  -5.235   0.290
  293    H2   HOH 230           H2       HOH 102  17.201  -4.555  -1.063
  294    H1   HOH 231           H1       HOH  39   4.931 -10.100   2.708
  295    H2   HOH 231           H2       HOH  39   4.157  -8.944   3.317
  296    H1   HOH 232           H1       HOH 139 -10.798   2.893  -1.809
  297    H2   HOH 232           H2       HOH 139 -11.473   3.677  -0.701
  298    H1   HOH 233           H1       HOH  22  -1.655 -13.416  -6.164
  299    H2   HOH 233           H2       HOH  22  -2.004 -14.712  -5.459
  300    H1   HOH 234           H1       HOH 190  -9.348   9.973   3.317
  301    H2   HOH 234           H2       HOH 190 -10.576  10.296   2.490
  302    H1   HOH 235           H1       HOH 140  -9.249   6.220   4.475
  303    H2   HOH 235           H2       HOH 140  -8.379   7.454   4.578
  304    H1   HOH 236           H1       HOH  33  -5.101 -12.132 -11.857
  305    H2   HOH 236           H2       HOH  33  -3.641 -12.323 -12.224
  306    H1   HOH 237           H1       HOH  77   7.040  -6.465   1.912
  307    H2   HOH 237           H2       HOH  77   7.439  -7.891   2.231
  308    H1   HOH 238           H1       HOH   6 -16.645  -3.687   2.997
  309    H2   HOH 238           H2       HOH   6 -17.314  -2.559   3.759
  310    H1   HOH 239           H1       HOH 181 -10.503  10.944  -0.602
  311    H2   HOH 239           H2       HOH 181 -10.968  10.388  -1.934
  312    H1   HOH 240           H1       HOH  24  -4.284 -16.290  -8.135
  313    H2   HOH 240           H2       HOH  24  -3.171 -16.463  -9.145
  314    H1   HOH 241           H1       HOH  75   5.872  -7.522  -8.121
  315    H2   HOH 241           H2       HOH  75   5.729  -7.525  -9.628
  316    H1   HOH 242           H1       HOH  99  12.196  -5.190 -11.026
  317    H2   HOH 242           H2       HOH  99  11.744  -6.599 -10.688
  318    H1   HOH 243           H1       HOH 161   1.737   5.555  -7.070
  319    H2   HOH 243           H2       HOH 161   1.255   4.261  -7.693
  320    H1   HOH 244           H1       HOH 135 -12.421  -3.397  -2.527
  321    H2   HOH 244           H2       HOH 135 -11.538  -2.179  -2.707
  322    H1   HOH 245           H1       HOH  15 -17.240  -1.052   5.466
  323    H2   HOH 245           H2       HOH  15 -17.270  -2.314   6.304
  324    H1   HOH 246           H1       HOH  64   2.270 -10.781   0.308
  325    H2   HOH 246           H2       HOH  64   3.184 -10.580  -0.885
  326    H1   HOH 247           H1       HOH 176   2.166  -2.650 -12.081
  327    H2   HOH 247           H2       HOH 176   3.158  -2.756 -13.217
  328    H1   HOH 248           H1       HOH  21  -2.048 -14.267 -12.610
  329    H2   HOH 248           H2       HOH  21  -1.783 -13.212 -11.554
  330    H1   HOH 249           H1       HOH  95  15.156   2.741  -0.930
  331    H2   HOH 249           H2       HOH  95  13.855   2.218  -1.505
  332    H1   HOH 250           H1       HOH 163   0.310   5.132   1.238
  333    H2   HOH 250           H2       HOH 163   0.765   5.188  -0.203
  334    H1   HOH 251           H1       HOH 112  11.181  -8.929 -11.670
  335    H2   HOH 251           H2       HOH 112  10.972  -8.770 -10.180
  336    H1   HOH 252           H1       HOH  91   9.162   0.675   6.630
  337    H2   HOH 252           H2       HOH  91  10.198   0.825   5.539
  338    H1   HOH 253           H1       HOH  67  -0.959 -10.134  -8.530
  339    H2   HOH 253           H2       HOH  67  -2.030  -9.984  -7.469
  340    H1   HOH 254           H1       HOH 175  -3.025  -0.554 -10.298
  341    H2   HOH 254           H2       HOH 175  -3.057   0.906  -9.891
  342    H1   HOH 255           H1       HOH 103  15.499   0.652  -1.940
  343    H2   HOH 255           H2       HOH 103  16.809  -0.085  -1.767
  344    H1   HOH 256           H1       HOH 159  -1.536  -1.231 -11.897
  345    H2   HOH 256           H2       HOH 159  -2.270  -2.535 -11.673
  346    H1   HOH 257           H1       HOH  58  -1.856  -9.857  -5.119
  347    H2   HOH 257           H2       HOH  58  -1.769 -11.161  -5.881
  348    H1   HOH 258           H1       HOH  42  -0.696  -6.671   8.312
  349    H2   HOH 258           H2       HOH  42  -1.933  -7.272   7.682
  350    H1   HOH 259           H1       HOH 109  19.900  -2.725   0.871
  351    H2   HOH 259           H2       HOH 109  18.655  -2.350   1.649
  352    H1   HOH 260           H1       HOH 143  -4.473  -6.380 -11.790
  353    H2   HOH 260           H2       HOH 143  -3.387  -7.433 -11.719
  354    H1   HOH 261           H1       HOH  63   4.073  -6.076   3.394
  355    H2   HOH 261           H2       HOH  63   5.270  -6.958   3.099
  356    H1   HOH 262           H1       HOH 142  -2.569  -4.986 -12.257
  357    H2   HOH 262           H2       HOH 142  -1.483  -4.181 -12.948
  358    H1   HOH 263           H1       HOH 191   9.215  -5.526 -13.850
  359    H2   HOH 263           H2       HOH 191   8.726  -6.834 -14.438
  360    H1   HOH 264           H1       HOH  98  14.370  -1.274  -2.932
  361    H2   HOH 264           H2       HOH  98  14.317  -2.748  -3.270
  362    H1   HOH 265           H1       HOH   8 -15.710  -5.788   3.715
  363    H2   HOH 265           H2       HOH   8 -15.017  -5.300   2.461
  364    H1   HOH 266           H1       HOH 193   8.455  -0.149  -9.456
  365    H2   HOH 266           H2       HOH 193   9.465  -0.821  -8.547
  366    H1   HOH 267           H1       HOH  73   9.196  -1.353   5.372
  367    H2   HOH 267           H2       HOH  73   7.963  -2.148   4.988
  368    H1   HOH 268           H1       HOH 114  11.193  -5.888  -8.656
  369    H2   HOH 268           H2       HOH 114  11.352  -5.997  -7.151
  370    H1   HOH 269           H1       HOH 113   7.673  -6.481  -7.819
  371    H2   HOH 269           H2       HOH 113   9.033  -6.039  -7.317
  372    H1   HOH 270           H1       HOH 127 -13.066   7.600   0.823
  373    H2   HOH 270           H2       HOH 127 -12.679   6.919   2.117
  374    H1   HOH 271           H1       HOH  70   7.210  -8.113  -2.146
  375    H2   HOH 271           H2       HOH  70   5.962  -8.634  -2.829
  376    H1   HOH 272           H1       HOH  48   5.258 -11.715  -1.305
  377    H2   HOH 272           H2       HOH  48   5.430 -10.305  -1.825
  378    H1   HOH 273           H1       HOH 196  11.837  -2.777 -11.796
  379    H2   HOH 273           H2       HOH 196  13.224  -3.298 -12.110
  380    H1   HOH 274           H1       HOH 148   0.762  -3.604 -13.579
  381    H2   HOH 274           H2       HOH 148   0.166  -4.043 -14.899
  382    H1   HOH 275           H1       HOH  20  -7.423 -12.620 -10.944
  383    H2   HOH 275           H2       HOH  20  -6.482 -13.786 -11.175
  384    H1   HOH 276           H1       HOH  19  -0.783 -11.350 -11.430
  385    H2   HOH 276           H2       HOH  19  -0.194 -11.800 -10.109
  386    H1   HOH 277           H1       HOH 166   1.580   6.110   2.883
  387    H2   HOH 277           H2       HOH 166   0.390   5.569   3.645
  388    H1   HOH 278           H1       HOH  66   5.812  -1.681   5.681
  389    H2   HOH 278           H2       HOH  66   5.545  -3.141   5.385
  390    H1   HOH 279           H1       HOH 108  17.118  -3.019   3.312
  391    H2   HOH 279           H2       HOH 108  18.163  -2.189   4.027
  392    H1   HOH 280           H1       HOH 124 -14.055   9.494  -0.316
  393    H2   HOH 280           H2       HOH 124 -12.550   9.665  -0.258
  394    H1   HOH 281           H1       HOH 189   9.390  11.984   3.605
  395    H2   HOH 281           H2       HOH 189   9.923  11.667   2.222
  396    H1   HOH 282           H1       HOH 154  -4.286   1.616  -7.062
  397    H2   HOH 282           H2       HOH 154  -4.773   0.231  -7.420
  398    H1   HOH 283           H1       HOH 147  -6.326  -9.817 -12.338
  399    H2   HOH 283           H2       HOH 147  -4.834  -9.938 -12.128
  400    H1   HOH 284           H1       HOH 164  -6.791   8.385  -1.506
  401    H2   HOH 284           H2       HOH 164  -6.640   7.180  -2.412
  402    H1   HOH 285           H1       HOH  74   5.359  -5.422  -5.792
  403    H2   HOH 285           H2       HOH  74   6.641  -6.163  -6.118
  404    H1   HOH 286           H1       HOH 126 -12.017  -3.738  -6.084
  405    H2   HOH 286           H2       HOH 126 -11.772  -3.076  -4.743
  406    H1   HOH 287           H1       HOH  40   4.905  -3.349   2.554
  407    H2   HOH 287           H2       HOH  40   5.986  -2.606   3.311
  408    H1   HOH 288           H1       HOH  11  -7.368  -5.465   9.359
  409    H2   HOH 288           H2       HOH  11  -7.550  -4.737  10.673
  410    H1   HOH 289           H1       HOH 172   3.942   5.614  -6.851
  411    H2   HOH 289           H2       HOH 172   3.271   4.323  -6.441
  412    H1   HOH 290           H1       HOH 179   2.211   7.743  -7.834
  413    H2   HOH 290           H2       HOH 179   3.314   6.881  -8.413
  414    H1   HOH 291           H1       HOH 173  -9.119  11.089   1.015
  415    H2   HOH 291           H2       HOH 173  -8.870  12.523   0.600
  416    H1   HOH 292           H1       HOH  29  -5.164 -13.964  -4.383
  417    H2   HOH 292           H2       HOH  29  -3.662 -13.872  -4.571
  418    H1   HOH 293           H1       HOH 129 -12.853   5.133   0.515
  419    H2   HOH 293           H2       HOH 129 -13.826   4.338  -0.327
  420    H1   HOH 294           H1       HOH 155  -1.750   5.716  -3.776
  421    H2   HOH 294           H2       HOH 155  -3.156   5.390  -3.312
  422    H1   HOH 295           H1       HOH 119 -12.685   2.848   1.134
  423    H2   HOH 295           H2       HOH 119 -13.491   1.576   1.290
  424    H1   HOH 296           H1       HOH 162  -5.182   0.227 -10.285
  425    H2   HOH 296           H2       HOH 162  -6.046   0.914 -11.321
  426    H1   HOH 297           H1       HOH  26  -7.529 -14.061  -4.343
  427    H2   HOH 297           H2       HOH  26  -7.267 -14.015  -5.834
  428    H1   HOH 298           H1       HOH  23  -5.207 -15.562 -10.193
  429    H2   HOH 298           H2       HOH  23  -5.646 -15.921 -11.597
  430    H1   HOH 299           H1       HOH  87   8.174   2.217   8.411
  431    H2   HOH 299           H2       HOH  87   8.113   2.922   7.076
  432    H1   HOH 300           H1       HOH  54   6.759 -11.692   2.493
  433    H2   HOH 300           H2       HOH  54   6.866 -10.811   1.265
  434    H1   HOH 301           H1       HOH 101  15.439  -4.488   4.348
  435    H2   HOH 301           H2       HOH 101  14.877  -3.168   3.865
  436    H1   HOH 302           H1       HOH  72   5.185   0.282   6.963
  437    H2   HOH 302           H2       HOH  72   4.717  -0.961   7.685
  438    H1   HOH 303           H1       HOH 100  16.370  -4.149  -3.216
  439    H2   HOH 303           H2       HOH 100  15.655  -3.978  -4.541
  440    H1   HOH 304           H1       HOH 131 -12.928  11.057   2.861
  441    H2   HOH 304           H2       HOH 131 -12.725  10.058   1.742
  442    H1   HOH 305           H1       HOH 136  -9.863   3.677   8.452
  443    H2   HOH 305           H2       HOH 136 -10.749   2.587   7.892
  444    H1   HOH 306           H1       HOH 165  -7.438  -0.421  -9.829
  445    H2   HOH 306           H2       HOH 165  -8.650  -0.117  -8.977
  446    H1   HOH 307           H1       HOH 174  -8.012  -2.447 -10.140
  447    H2   HOH 307           H2       HOH 174  -7.194  -2.738 -11.380
  448    H1   HOH 308           H1       HOH  31  -0.112 -12.036  -7.450
  449    H2   HOH 308           H2       HOH  31   0.108 -11.585  -6.021
  450    H1   HOH 309           H1       HOH 153   5.374   7.398  -9.270
  451    H2   HOH 309           H2       HOH 153   4.825   6.399 -10.267
  452    H1   HOH 310           H1       HOH 115  14.633   0.613   5.772
  453    H2   HOH 310           H2       HOH 115  14.105   1.177   4.471
  454    H1   HOH 311           H1       HOH 128 -12.339   2.967   4.602
  455    H2   HOH 311           H2       HOH 128 -12.993   2.364   3.375
  456    H1   HOH 312           H1       HOH 180   5.415   3.280  -8.773
  457    H2   HOH 312           H2       HOH 180   5.449   3.907  -7.395
  458    H1   HOH 313           H1       HOH 137 -12.514   1.733  -4.592
  459    H2   HOH 313           H2       HOH 137 -12.296   0.504  -5.449
  460    H1   HOH 314           H1       HOH  16  -8.049  -1.799   9.198
  461    H2   HOH 314           H2       HOH  16  -8.398  -3.272   9.254
  462    H1   HOH 315           H1       HOH  76   7.319  -9.966  -0.904
  463    H2   HOH 315           H2       HOH  76   8.491 -10.886  -0.633
  464    H1   HOH 316           H1       HOH  10  -7.204  -6.212   7.191
  465    H2   HOH 316           H2       HOH  10  -8.591  -5.688   6.870
  466    H1   HOH 317           H1       HOH 138 -13.610  -0.630  -4.073
  467    H2   HOH 317           H2       HOH 138 -13.727  -2.075  -4.508
  468    H1   HOH 318           H1       HOH  52   1.852 -11.966   2.593
  469    H2   HOH 318           H2       HOH  52   2.883 -10.903   2.269
  470    H1   HOH 319           H1       HOH  38  -8.373 -12.976  -7.788
  471    H2   HOH 319           H2       HOH  38  -8.292 -14.484  -7.883
  472    H1   HOH 320           H1       HOH  97  14.162  -5.250  -3.297
  473    H2   HOH 320           H2       HOH  97  14.001  -6.683  -2.839
  474    H1   HOH 321           H1       HOH 132 -16.787   1.134   5.587
  475    H2   HOH 321           H2       HOH 132 -18.300   1.208   5.634
  476    H1   HOH 322           H1       HOH 121 -14.851   0.756  -0.388
  477    H2   HOH 322           H2       HOH 121 -15.873   1.076   0.680
  478    H1   HOH 323           H1       HOH  55   0.787  -9.298   0.041
  479    H2   HOH 323           H2       HOH  55  -0.704  -9.266   0.306
  480    H1   HOH 324           H1       HOH 182 -11.531  -5.672  -7.523
  481    H2   HOH 324           H2       HOH 182 -12.635  -6.100  -6.580
  482    H1   HOH 325           H1       HOH  28  -9.410 -13.990  -2.414
  483    H2   HOH 325           H2       HOH  28  -8.569 -12.821  -2.886
  484    H1   HOH 326           H1       HOH 152  -4.858   6.070  -1.401
  485    H2   HOH 326           H2       HOH 152  -5.112   5.794  -2.866
  486    H1   HOH 327           H1       HOH 170  -8.328  11.260  -1.356
  487    H2   HOH 327           H2       HOH 170  -7.295  11.589  -2.415
  488    H1   HOH 328           H1       HOH 157 -11.518  -1.341  -6.343
  489    H2   HOH 328           H2       HOH 157 -11.657  -0.560  -7.634
  490    H1   HOH 329           H1       HOH 118 -14.485  -8.976  -4.520
  491    H2   HOH 329           H2       HOH 118 -14.129  -9.116  -5.983
  492    H1   HOH 330           H1       HOH  89  10.640   5.791   7.006
  493    H2   HOH 330           H2       HOH  89  10.479   6.451   5.655
  494    H1   HOH 331           H1       HOH  50   2.546  -4.617   2.979
  495    H2   HOH 331           H2       HOH  50   3.532  -4.205   4.059
  496    H1   HOH 332           H1       HOH 107  12.667  -2.126   4.669
  497    H2   HOH 332           H2       HOH 107  13.894  -1.263   4.464
  498    H1   HOH 333           H1       HOH 144  -7.725  -6.122 -11.137
  499    H2   HOH 333           H2       HOH 144  -8.238  -4.778 -10.663
  500    H1   HOH 334           H1       HOH 134 -14.611   2.238   5.151
  501    H2   HOH 334           H2       HOH 134 -15.186   2.612   6.502
  502    H1   HOH 335           H1       HOH  96  18.573  -3.488  -2.601
  503    H2   HOH 335           H2       HOH  96  18.692  -4.931  -3.040
  504    H1   HOH 336           H1       HOH  27  -9.427 -11.380 -10.472
  505    H2   HOH 336           H2       HOH  27  -9.692 -12.833 -10.145
  506    H1   HOH 337           H1       HOH 145  -6.458  -6.554 -13.027
  507    H2   HOH 337           H2       HOH 145  -6.042  -7.655 -12.073
  508    H1   HOH 338           H1       HOH 158  -9.388  10.450  -3.216
  509    H2   HOH 338           H2       HOH 158 -10.279  10.682  -4.420
  510    H1   HOH 339           H1       HOH  41   4.179  -8.613  -4.590
  511    H2   HOH 339           H2       HOH  41   5.272  -7.571  -4.703
  512    H1   HOH 340           H1       HOH 197  12.677   3.323  -3.230
  513    H2   HOH 340           H2       HOH 197  11.575   2.496  -2.606
  514    H1   HOH 341           H1       HOH 125 -14.658  -0.289  -2.566
  515    H2   HOH 341           H2       HOH 125 -14.693   1.209  -2.768
  516    H1   HOH 342           H1       HOH 187   7.052  11.869   4.477
  517    H2   HOH 342           H2       HOH 187   7.659  13.199   4.865
  518    H1   HOH 343           H1       HOH 130 -14.351  -2.922  -2.356
  519    H2   HOH 343           H2       HOH 130 -14.829  -4.077  -1.500
  520    H1   HOH 344           H1       HOH  44   0.661  -5.593   3.718
  521    H2   HOH 344           H2       HOH  44   0.643  -6.269   2.364
  522    H1   HOH 345           H1       HOH  82   7.158   5.373   6.366
  523    H2   HOH 345           H2       HOH  82   8.610   4.938   6.348
  524    H1   HOH 346           H1       HOH  86   1.135  -0.723  10.772
  525    H2   HOH 346           H2       HOH  86   2.190   0.341  10.570
  526    H1   HOH 347           H1       HOH  18 -12.425 -11.583  -0.191
  527    H2   HOH 347           H2       HOH  18 -11.402 -12.487   0.469
  528    H1   HOH 348           H1       HOH 149  -2.968   4.961  -7.236
  529    H2   HOH 348           H2       HOH 149  -3.169   5.016  -5.734
  530    H1   HOH 349           H1       HOH  56   0.286  -8.857  -2.094
  531    H2   HOH 349           H2       HOH  56   1.506  -9.747  -2.032
  532    H1   HOH 350           H1       HOH  68   1.140  -9.382  -5.761
  533    H2   HOH 350           H2       HOH  68   0.807  -9.850  -4.358
  534    H1   HOH 351           H1       HOH 146  -9.886  -6.281  -9.294
  535    H2   HOH 351           H2       HOH 146 -11.306  -6.186  -9.802
  536    H1   HOH 352           H1       HOH  78   8.247  -4.634   2.578
  537    H2   HOH 352           H2       HOH  78   6.955  -4.116   1.978
  538    H1   HOH 353           H1       HOH   7 -13.510  -5.496   0.374
  539    H2   HOH 353           H2       HOH   7 -15.014  -5.643   0.385
  540    H1   HOH 354           H1       HOH   5 -12.093 -13.437  -5.059
  541    H2   HOH 354           H2       HOH   5 -13.116 -13.287  -3.952
  542    H1   HOH 355           H1       HOH 104  10.298  -5.518   2.659
  543    H2   HOH 355           H2       HOH 104  11.577  -6.263   2.333
  544    H1   HOH 356           H1       HOH 116  16.276   4.357   3.446
  545    H2   HOH 356           H2       HOH 116  14.908   3.857   3.034
  546    H1   HOH 357           H1       HOH 133 -18.529  -2.456   0.132
  547    H2   HOH 357           H2       HOH 133 -17.559  -2.850   1.227
  548    H1   HOH 358           H1       HOH 167  -6.370   5.907  -4.738
  549    H2   HOH 358           H2       HOH 167  -5.639   7.227  -4.634
  550    H1   HOH 359           H1       HOH  88   4.989   5.185   6.637
  551    H2   HOH 359           H2       HOH  88   5.801   3.931   6.872
  552    H1   HOH 360           H1       HOH  37  -9.918 -14.022  -4.587
  553    H2   HOH 360           H2       HOH  37  -9.859 -14.067  -6.100
  554    H1   HOH 361           H1       HOH 178 -11.536   4.199  -4.714
  555    H2   HOH 361           H2       HOH 178 -11.054   2.853  -5.214
  556    H1   HOH 362           H1       HOH  43   9.734  -6.180   0.474
  557    H2   HOH 362           H2       HOH  43   8.384  -5.513   0.385
  558    H1   HOH 363           H1       HOH  60   0.684  -5.151   5.942
  559    H2   HOH 363           H2       HOH  60  -0.331  -6.271   5.950
  560    H1   HOH 364           H1       HOH  49   9.411  -5.057   4.731
  561    H2   HOH 364           H2       HOH  49   9.360  -3.666   4.149
  562    H1   HOH 365           H1       HOH   4 -13.112 -11.883  -6.143
  563    H2   HOH 365           H2       HOH   4 -13.663 -11.842  -7.553
  564    H1   HOH 366           H1       HOH  62  -5.282 -13.499  -2.471
  565    H2   HOH 366           H2       HOH  62  -6.452 -14.271  -1.901
  566    H1   HOH 367           H1       HOH  32  -8.655 -16.339  -9.466
  567    H2   HOH 367           H2       HOH  32  -7.422 -15.531  -9.816
  568    H1   HOH 368           H1       HOH  14 -13.257  -9.686   0.898
  569    H2   HOH 368           H2       HOH  14 -14.129  -9.696  -0.337
  570    H1   HOH 369           H1       HOH  93  10.885 -10.936 -13.087
  571    H2   HOH 369           H2       HOH  93  12.360 -10.675 -12.862
  572    H1   HOH 370           H1       HOH 168 -10.278   1.131  -6.539
  573    H2   HOH 370           H2       HOH 168  -9.106   2.075  -6.346
  574    H1   HOH 371           H1       HOH  17  -9.626  -3.672   7.819
  575    H2   HOH 371           H2       HOH  17  -9.720  -5.015   8.503
  576    H1   HOH 372           H1       HOH   9 -12.858  -7.992   2.771
  577    H2   HOH 372           H2       HOH   9 -13.532  -7.402   1.549
  578    H1   HOH 373           H1       HOH 110  12.163  -1.840  -4.252
  579    H2   HOH 373           H2       HOH 110  10.996  -2.656  -4.778
  580    H1   HOH 374           H1       HOH  30  -0.370 -16.202  -4.390
  581    H2   HOH 374           H2       HOH  30  -1.755 -16.573  -3.905
  582    H1   HOH 375           H1       HOH 194   7.145   1.903  -8.635
  583    H2   HOH 375           H2       HOH 194   6.408   1.331  -9.824
  584    H1   HOH 376           H1       HOH  80   1.110   2.277  10.452
  585    H2   HOH 376           H2       HOH  80   2.354   2.644   9.669
  586    H1   HOH 377           H1       HOH 169  -6.550   1.730  -6.492
  587    H2   HOH 377           H2       HOH 169  -7.034   3.121  -6.137
  588    H1   HOH 378           H1       HOH 111   9.421  -4.446  -5.554
  589    H2   HOH 378           H2       HOH 111   9.796  -4.748  -4.119
  590    H1   HOH 379           H1       HOH  61  -4.540 -11.785   1.652
  591    H2   HOH 379           H2       HOH  61  -4.670 -11.031   2.959
  592    H1   HOH 380           H1       HOH   2 -12.628 -13.369  -1.561
  593    H2   HOH 380           H2       HOH   2 -13.266 -14.706  -1.877
  594    H1   HOH 381           H1       HOH  83   2.500   4.811   8.542
  595    H2   HOH 381           H2       HOH  83   3.513   3.865   7.935
  596    H1   HOH 382           H1       HOH 120 -16.773  -4.206  -0.348
  597    H2   HOH 382           H2       HOH 120 -16.853  -5.412  -1.260
  598    H1   HOH 383           H1       HOH  94  12.743  -5.855  -4.838
  599    H2   HOH 383           H2       HOH  94  11.594  -5.037  -5.394
  600    H1   HOH 384           H1       HOH   1 -14.607 -11.491  -1.031
  601    H2   HOH 384           H2       HOH   1 -14.486 -12.540  -2.117
  602    H1   HOH 385           H1       HOH  59  -3.851 -13.310   0.380
  603    H2   HOH 385           H2       HOH  59  -5.289 -13.332  -0.096
  604    H1   HOH 386           H1       HOH 150  -5.293   4.753  -6.284
  605    H2   HOH 386           H2       HOH 150  -6.537   5.106  -7.073
  606    H1   HOH 387           H1       HOH 192   7.488   6.247  -8.732
  607    H2   HOH 387           H2       HOH 192   7.266   4.771  -8.451
  608    H1   HOH 388           H1       HOH   3 -15.460 -10.571  -3.005
  609    H2   HOH 388           H2       HOH   3 -16.556 -10.131  -3.955
  610    H1   HOH 389           H1       HOH  12 -16.151  -8.533  -0.740
  611    H2   HOH 389           H2       HOH  12 -15.431  -8.897  -2.022
  612    H1   HOH 390           H1       HOH 106  10.468  -6.198  -2.703
  613    H2   HOH 390           H2       HOH 106   9.275  -5.854  -1.836
  614    H1   HOH 391           H1       HOH  53   4.501  -5.354   5.932
  615    H2   HOH 391           H2       HOH  53   3.913  -4.149   6.634
  616    H1   HOH 392           H1       HOH  69   3.703  -3.043   8.579
  617    H2   HOH 392           H2       HOH  69   2.819  -4.224   8.913
  618    H1   HOH 393           H1       HOH 199   6.734   8.409  -7.771
  619    H2   HOH 393           H2       HOH 199   7.285   8.669  -9.157
  620    H1   HOH 394           H1       HOH  81   4.858  -1.434  10.011
  621    H2   HOH 394           H2       HOH  81   3.388  -1.233   9.705
  622    H1   HOH 395           H1       HOH 160   5.557   9.574  -6.061
  623    H2   HOH 395           H2       HOH 160   6.997   9.445  -5.609
  624    H1   HOH 396           H1       HOH  71  -2.009 -11.386   0.283
  625    H2   HOH 396           H2       HOH  71  -2.724 -10.467   1.249
  626    H1   HOH 397           H1       HOH 141 -11.268  -5.123 -12.377
  627    H2   HOH 397           H2       HOH 141 -10.193  -5.688 -11.469
  628    H1   HOH 398           H1       HOH  57  -1.504 -13.694   0.037
  629    H2   HOH 398           H2       HOH  57  -2.091 -13.297  -1.301
  630    H1   HOH 399           H1       HOH 195  10.435   6.617  -8.011
  631    H2   HOH 399           H2       HOH 195   9.548   5.405  -8.185
  Start of MODEL    5
    1    HA   PRO  62           HA       PRO  62 -10.459  -7.581  -3.976
    2    HB2  PRO  62           HB2      PRO  62 -11.737  -5.554  -2.668
    3    HB3  PRO  62           HB3      PRO  62 -12.225  -6.032  -4.319
    4    HG2  PRO  62           HG2      PRO  62 -13.429  -7.043  -1.686
    5    HG3  PRO  62           HG3      PRO  62 -14.294  -6.249  -3.038
    6    HD2  PRO  62           HD2      PRO  62 -14.210  -8.908  -2.964
    7    HD3  PRO  62           HD3      PRO  62 -13.863  -8.089  -4.504
    8    H    PHE  63           H        PHE  63  -9.466  -6.131  -2.137
    9    HA   PHE  63           HA       PHE  63  -9.365  -7.633   0.452
   10    HB2  PHE  63           HB2      PHE  63  -6.966  -6.644  -1.126
   11    HB3  PHE  63           HB3      PHE  63  -6.951  -7.637   0.329
   12    HD1  PHE  63           HD1      PHE  63  -6.468  -7.787  -3.121
   13    HD2  PHE  63           HD2      PHE  63  -8.517  -9.895   0.039
   14    HE1  PHE  63           HE1      PHE  63  -6.488  -9.840  -4.502
   15    HE2  PHE  63           HE2      PHE  63  -8.564 -11.936  -1.364
   16    HZ   PHE  63           HZ       PHE  63  -7.532 -11.922  -3.634
   17    H    ALA  64           H        ALA  64  -7.409  -6.139   1.677
   18    HA   ALA  64           HA       ALA  64  -8.001  -3.271   1.395
   19    HB1  ALA  64           HB1      ALA  64  -8.305  -4.771   4.043
   20    HB2  ALA  64           HB2      ALA  64  -8.407  -3.008   3.819
   21    HB3  ALA  64           HB3      ALA  64  -9.633  -4.067   3.092
   22    H    CYS  65           H        CYS  65  -6.460  -1.947   2.643
   23    HA   CYS  65           HA       CYS  65  -3.770  -3.204   3.030
   24    HB2  CYS  65           HB2      CYS  65  -4.674  -0.347   3.457
   25    HB3  CYS  65           HB3      CYS  65  -3.008  -0.939   3.387
   26    H    ASP  66           H        ASP  66  -3.031  -3.634   5.091
   27    HA   ASP  66           HA       ASP  66  -4.517  -3.061   7.518
   28    HB2  ASP  66           HB2      ASP  66  -1.525  -3.485   7.080
   29    HB3  ASP  66           HB3      ASP  66  -2.352  -3.444   8.663
   30    H    ILE  67           H        ILE  67  -1.777  -1.446   5.962
   31    HA   ILE  67           HA       ILE  67  -1.614   0.681   7.783
   32    HB   ILE  67           HB       ILE  67  -0.444   0.348   5.000
   33   HG12  ILE  67          2HG1      ILE  67   0.209  -1.488   6.470
   34   HG13  ILE  67          3HG1      ILE  67   1.572  -0.454   6.107
   35   HG21  ILE  67          HG21      ILE  67  -0.176   2.686   5.526
   36   HG22  ILE  67          HG22      ILE  67   0.378   2.318   7.169
   37   HG23  ILE  67          HG23      ILE  67   1.385   1.895   5.776
   38   HD11  ILE  67          1HD1      ILE  67   0.039  -0.458   8.745
   39   HD12  ILE  67          2HD1      ILE  67   1.620  -1.183   8.435
   40   HD13  ILE  67          3HD1      ILE  67   1.440   0.572   8.355
   41    H    CYS  68           H        CYS  68  -3.731   0.551   5.015
   42    HA   CYS  68           HA       CYS  68  -4.419   3.428   5.499
   43    HB2  CYS  68           HB2      CYS  68  -5.120   1.605   3.158
   44    HB3  CYS  68           HB3      CYS  68  -5.938   3.116   3.505
   45    H    GLY  69           H        GLY  69  -5.366   0.246   6.368
   46    HA2  GLY  69           HA2      GLY  69  -7.228  -0.713   7.259
   47    HA3  GLY  69           HA3      GLY  69  -7.899   0.909   7.490
   48    H    ARG  70           H        ARG  70  -7.375   0.922   4.335
   49    HA   ARG  70           HA       ARG  70 -10.279   0.542   3.856
   50    HB2  ARG  70           HB2      ARG  70  -8.188   2.498   2.859
   51    HB3  ARG  70           HB3      ARG  70  -9.780   2.364   2.099
   52    HG2  ARG  70           HG2      ARG  70 -10.928   2.879   4.145
   53    HG3  ARG  70           HG3      ARG  70  -9.457   2.775   5.101
   54    HD2  ARG  70           HD2      ARG  70  -8.558   4.774   3.963
   55    HD3  ARG  70           HD3      ARG  70 -10.047   4.880   2.991
   56    HE   ARG  70           HE       ARG  70 -10.064   4.948   6.005
   57   HH11  ARG  70          1HH1      ARG  70 -12.100   7.674   4.006
   58   HH12  ARG  70          2HH1      ARG  70 -10.850   6.802   3.147
   59   HH21  ARG  70          1HH2      ARG  70 -11.550   6.104   6.968
   60   HH22  ARG  70          2HH2      ARG  70 -12.499   7.303   6.074
   61    H    LYS  71           H        LYS  71 -11.166   0.050   1.855
   62    HA   LYS  71           HA       LYS  71  -9.973  -2.450   0.977
   63    HB2  LYS  71           HB2      LYS  71 -12.621  -1.166   0.217
   64    HB3  LYS  71           HB3      LYS  71 -12.089  -2.786  -0.266
   65    HG2  LYS  71           HG2      LYS  71 -11.838  -3.368   2.197
   66    HG3  LYS  71           HG3      LYS  71 -12.553  -1.802   2.582
   67    HD2  LYS  71           HD2      LYS  71 -14.306  -3.384   2.743
   68    HD3  LYS  71           HD3      LYS  71 -14.600  -2.493   1.241
   69    HE2  LYS  71           HE2      LYS  71 -13.508  -4.380  -0.028
   70    HE3  LYS  71           HE3      LYS  71 -13.263  -5.236   1.504
   71    HZ1  LYS  71           HZ1      LYS  71 -15.253  -6.077   0.454
   72    HZ2  LYS  71           HZ2      LYS  71 -15.751  -5.216   1.758
   73    HZ3  LYS  71           HZ3      LYS  71 -15.896  -4.602   0.260
   74    H    PHE  72           H        PHE  72  -9.379  -3.172  -1.027
   75    HA   PHE  72           HA       PHE  72  -9.353  -1.372  -3.346
   76    HB2  PHE  72           HB2      PHE  72  -7.253  -1.051  -1.707
   77    HB3  PHE  72           HB3      PHE  72  -6.673  -2.481  -2.540
   78    HD1  PHE  72           HD1      PHE  72  -5.177  -1.949  -4.323
   79    HD2  PHE  72           HD2      PHE  72  -8.382   0.785  -3.375
   80    HE1  PHE  72           HE1      PHE  72  -4.333  -0.346  -6.016
   81    HE2  PHE  72           HE2      PHE  72  -7.567   2.341  -5.136
   82    HZ   PHE  72           HZ       PHE  72  -5.544   1.773  -6.454
   83    H    ALA  73           H        ALA  73  -8.448  -2.450  -5.323
   84    HA   ALA  73           HA       ALA  73  -9.757  -4.966  -5.601
   85    HB1  ALA  73           HB1      ALA  73  -9.817  -3.273  -7.329
   86    HB2  ALA  73           HB2      ALA  73  -8.063  -3.378  -7.562
   87    HB3  ALA  73           HB3      ALA  73  -9.104  -4.759  -7.975
   88    H    ARG  74           H        ARG  74  -6.473  -4.536  -6.895
   89    HA   ARG  74           HA       ARG  74  -5.293  -6.795  -5.436
   90    HB2  ARG  74           HB2      ARG  74  -6.604  -8.047  -7.096
   91    HB3  ARG  74           HB3      ARG  74  -5.948  -7.052  -8.401
   92    HG2  ARG  74           HG2      ARG  74  -3.639  -7.940  -7.839
   93    HG3  ARG  74           HG3      ARG  74  -4.392  -9.028  -6.663
   94    HD2  ARG  74           HD2      ARG  74  -5.572 -10.198  -8.408
   95    HD3  ARG  74           HD3      ARG  74  -5.245  -8.907  -9.572
   96    HE   ARG  74           HE       ARG  74  -3.099 -10.677  -8.427
   97   HH11  ARG  74          1HH1      ARG  74  -4.585  -9.296 -11.323
   98   HH12  ARG  74          2HH1      ARG  74  -3.318  -9.950 -12.327
   99   HH21  ARG  74          1HH2      ARG  74  -1.904 -11.290 -11.590
  100   HH22  ARG  74          2HH2      ARG  74  -1.471 -11.338  -9.888
  101    H    SER  75           H        SER  75  -4.960  -4.864  -8.434
  102    HA   SER  75           HA       SER  75  -3.184  -3.784  -9.368
  103    HB2  SER  75           HB2      SER  75  -2.996  -2.926  -6.473
  104    HB3  SER  75           HB3      SER  75  -2.316  -2.040  -7.861
  105    HG   SER  75           HG       SER  75  -4.231  -1.496  -8.525
  106    H    OUD  76           H        OUD  76  -2.044  -6.061  -9.652
  107    HA   OUD  76           HA       OUD  76   0.432  -6.215  -8.021
  108    HB3  OUD  76           HB3      OUD  76  -1.049  -8.240  -8.523
  109    HB2  OUD  76           HB2      OUD  76  -0.476  -8.164 -10.180
  110    HM3  OUD  76           HM3      OUD  76   1.962  -5.993  -9.779
  111    HM2  OUD  76           HM2      OUD  76   0.752  -6.326 -11.014
  112    HN2  OUD  76           HN2      OUD  76  -0.117  -4.104 -10.794
  113    H    OUE  77           H        OUE  77  -0.202  -2.051 -10.107
  114    HA   OUE  77           HA       OUE  77   2.268  -0.933  -8.865
  115    HB3  OUE  77           HB3      OUE  77   1.593   0.098 -10.983
  116    HB2  OUE  77           HB2      OUE  77  -0.045   0.320 -10.409
  117    HG3  OUE  77           HG3      OUE  77   1.153   2.450 -10.401
  118    HG2  OUE  77           HG2      OUE  77   0.677   2.022  -8.777
  119    HM2  OUE  77           HM2      OUE  77  -0.539  -0.182  -7.926
  120    HM3  OUE  77           HM3      OUE  77   1.011   0.337  -7.234
  121    HN2  OUE  77           HN2      OUE  77   0.455  -2.536  -7.240
  122    H    OUK  78           H        OUK  78  -0.964  -3.418  -5.774
  123    HA   OUK  78           HA       OUK  78   0.627  -2.849  -3.345
  124    HB2  OUK  78           HB2      OUK  78  -0.442  -5.027  -2.482
  125    HB3  OUK  78           HB3      OUK  78  -1.526  -4.969  -3.860
  126    HG2  OUK  78           HG2      OUK  78  -2.190  -2.564  -2.925
  127    HG3  OUK  78           HG3      OUK  78  -1.424  -3.132  -1.442
  128    HD2  OUK  78           HD2      OUK  78  -2.986  -5.231  -1.640
  129    HD3  OUK  78           HD3      OUK  78  -3.784  -4.385  -2.956
  130    HE2  OUK  78           HE2      OUK  78  -5.123  -3.844  -1.052
  131    HE3  OUK  78           HE3      OUK  78  -4.099  -2.408  -1.256
  132    HZ3  OUK  78           HZ3      OUK  78  -2.617  -3.585   0.496
  133    HZ1  OUK  78           HZ1      OUK  78  -3.978  -4.489   0.836
  134    HZ2  OUK  78           HZ2      OUK  78  -4.030  -2.825   0.978
  135    HM3  OUK  78           HM3      OUK  78   1.708  -4.992  -3.767
  136    HM2  OUK  78           HM2      OUK  78   0.548  -5.391  -5.037
  137    HN2  OUK  78           HN2      OUK  78   1.604  -3.972  -6.547
  138    H    OUR  79           H        OUR  79   3.358  -3.019  -7.397
  139    HA   OUR  79           HA       OUR  79   5.470  -2.042  -5.518
  140    HB3  OUR  79           HB3      OUR  79   5.595  -2.329  -8.563
  141    HB2  OUR  79           HB2      OUR  79   6.865  -1.663  -7.539
  142    HG3  OUR  79           HG3      OUR  79   7.080  -3.894  -6.372
  143    HG2  OUR  79           HG2      OUR  79   5.842  -4.559  -7.452
  144    HD3  OUR  79           HD3      OUR  79   7.272  -3.900  -9.432
  145    HD2  OUR  79           HD2      OUR  79   8.540  -3.382  -8.313
  146    HE   OUR  79           HE       OUR  79   9.011  -5.543  -7.718
  147   HH12  OUR  79          2HH1      OUR  79   6.895  -7.140 -10.812
  148   HH11  OUR  79          1HH1      OUR  79   6.844  -5.438 -10.607
  149   HH22  OUR  79          2HH2      OUR  79   9.607  -7.561  -8.600
  150    HM2  OUR  79           HM2      OUR  79   4.173  -0.466  -7.799
  151    HM3  OUR  79           HM3      OUR  79   5.396   0.118  -6.664
  152    HN2  OUR  79           HN2      OUR  79   2.551  -0.514  -6.061
  153   HH21  OUR  79          1HH2      OUR  79   8.838  -8.158 -10.004
  154    H    OUH  80           H        OUH  80   1.435   1.054  -5.097
  155    HA   OUH  80           HA       OUH  80   3.068   2.294  -2.952
  156    HB2  OUH  80           HB2      OUH  80   0.911   3.510  -4.164
  157    HB3  OUH  80           HB3      OUH  80   1.599   3.902  -2.613
  158    HD2  OUH  80           HD2      OUH  80   0.358   2.977  -0.365
  159    HD1  OUH  80           HD1      OUH  80  -1.653   2.389  -4.026
  160    HE1  OUH  80           HE1      OUH  80  -3.280   2.092  -2.020
  161    HM2  OUH  80           HM2      OUH  80   0.724   0.386  -2.542
  162    HM3  OUH  80           HM3      OUH  80   1.781   1.078  -1.296
  163    HN2  OUH  80           HN2      OUH  80   2.845  -0.673  -3.451
  164    H    OUK  81           H        OUK  81   4.464  -1.969  -2.932
  165    HA   OUK  81           HA       OUK  81   5.823  -1.136  -0.430
  166    HB2  OUK  81           HB2      OUK  81   7.083  -3.295  -0.397
  167    HB3  OUK  81           HB3      OUK  81   6.056  -3.913  -1.691
  168    HG2  OUK  81           HG2      OUK  81   4.037  -3.638  -0.203
  169    HG3  OUK  81           HG3      OUK  81   5.072  -3.014   1.082
  170    HD2  OUK  81           HD2      OUK  81   6.295  -5.198   1.157
  171    HD3  OUK  81           HD3      OUK  81   5.311  -5.792  -0.189
  172    HE2  OUK  81           HE2      OUK  81   3.236  -5.511   1.206
  173    HE3  OUK  81           HE3      OUK  81   4.247  -4.994   2.579
  174    HZ3  OUK  81           HZ3      OUK  81   3.588  -7.281   2.748
  175    HZ1  OUK  81           HZ1      OUK  81   5.258  -7.188   2.587
  176    HZ2  OUK  81           HZ2      OUK  81   4.312  -7.664   1.278
  177    HM3  OUK  81           HM3      OUK  81   7.899  -1.364  -1.766
  178    HM2  OUK  81           HM2      OUK  81   6.957  -1.955  -3.146
  179    HN2  OUK  81           HN2      OUK  81   6.140   0.197  -3.551
  180    H    OUI  82           H        OUI  82   5.841   2.369  -3.249
  181    HA   OUI  82           HA       OUI  82   6.761   3.454  -0.623
  182    HB   OUI  82           HB       OUI  82   6.969   5.678  -1.583
  183   3HG1  OUI  82          3HG1      OUI  82   6.560   4.369  -4.334
  184   2HG1  OUI  82          2HG1      OUI  82   5.422   5.451  -3.547
  185   1HG2  OUI  82          1HG2      OUI  82   8.740   3.726  -3.139
  186   2HG2  OUI  82          2HG2      OUI  82   8.910   4.026  -1.407
  187   3HG2  OUI  82          3HG2      OUI  82   9.162   5.346  -2.552
  188   2HD1  OUI  82          2HD1      OUI  82   8.219   6.222  -4.513
  189   3HD1  OUI  82          3HD1      OUI  82   7.154   7.286  -3.571
  190   1HD1  OUI  82          1HD1      OUI  82   6.666   6.734  -5.179
  191    HM2  OUI  82           HM2      OUI  82   4.265   4.214  -2.199
  192    HM3  OUI  82           HM3      OUI  82   4.795   4.897  -0.646
  193    HN2  OUI  82           HN2      OUI  82   4.245   1.999  -1.012
  194    H    OUH  83           H        OUH  83   3.790   0.878   0.670
  195    HA   OUH  83           HA       OUH  83   3.039   2.174   3.210
  196    HB2  OUH  83           HB2      OUH  83   2.849  -0.112   4.090
  197    HB3  OUH  83           HB3      OUH  83   3.478  -0.778   2.599
  198    HD2  OUH  83           HD2      OUH  83   0.768   2.063   2.584
  199    HD1  OUH  83           HD1      OUH  83   1.151  -2.077   1.910
  200    HE1  OUH  83           HE1      OUH  83  -1.182  -1.246   1.159
  201    HM2  OUH  83           HM2      OUH  83   5.043   0.908   4.308
  202    HM3  OUH  83           HM3      OUH  83   5.284   2.476   3.543
  203    HN2  OUH  83           HN2      OUH  83   5.882   0.791   1.513
  204    H    ARG  84           H        ARG  84   8.055   0.867   0.859
  205    HA   ARG  84           HA       ARG  84  10.087   0.142   2.877
  206    HB2  ARG  84           HB2      ARG  84   9.998  -0.581   0.376
  207    HB3  ARG  84           HB3      ARG  84  10.541   1.050   0.001
  208    HG2  ARG  84           HG2      ARG  84  12.565   0.634   1.508
  209    HG3  ARG  84           HG3      ARG  84  11.988  -1.021   1.725
  210    HD2  ARG  84           HD2      ARG  84  13.711  -0.997   0.036
  211    HD3  ARG  84           HD3      ARG  84  12.172  -1.365  -0.741
  212    HE   ARG  84           HE       ARG  84  12.176   0.767  -1.807
  213   HH11  ARG  84          1HH1      ARG  84  15.421   2.321  -0.182
  214   HH12  ARG  84          2HH1      ARG  84  14.887   0.791   0.495
  215   HH21  ARG  84          1HH2      ARG  84  13.037   2.541  -2.576
  216   HH22  ARG  84          2HH2      ARG  84  14.516   3.213  -1.850
  217    H    LYS  85           H        LYS  85   9.038   3.039   1.265
  218    HA   LYS  85           HA       LYS  85  10.769   4.743   2.950
  219    HB2  LYS  85           HB2      LYS  85  10.400   5.062  -0.063
  220    HB3  LYS  85           HB3      LYS  85  10.770   6.397   1.009
  221    HG2  LYS  85           HG2      LYS  85  12.860   5.147   1.747
  222    HG3  LYS  85           HG3      LYS  85  12.516   3.965   0.480
  223    HD2  LYS  85           HD2      LYS  85  14.135   5.634  -0.331
  224    HD3  LYS  85           HD3      LYS  85  12.629   5.751  -1.236
  225    HE2  LYS  85           HE2      LYS  85  13.419   7.985  -0.786
  226    HE3  LYS  85           HE3      LYS  85  11.964   7.720   0.160
  227    HZ1  LYS  85           HZ1      LYS  85  13.593   8.756   1.538
  228    HZ2  LYS  85           HZ2      LYS  85  13.508   7.212   2.086
  229    HZ3  LYS  85           HZ3      LYS  85  14.759   7.701   1.114
  230    H    ASP  86           H        ASP  86   9.809   6.602   3.563
  231    HA   ASP  86           HA       ASP  86   6.999   7.225   2.916
  232    HB2  ASP  86           HB2      ASP  86   7.145   5.311   4.591
  233    HB3  ASP  86           HB3      ASP  86   7.944   6.425   5.695
  234    H1   HOH 201           H1       HOH 177   7.188  11.584   1.393
  235    H2   HOH 201           H2       HOH 177   8.106  10.510   1.934
  236    H1   HOH 202           H1       HOH 174   4.510   8.394   3.711
  237    H2   HOH 202           H2       HOH 174   3.009   8.349   3.545
  238    H1   HOH 203           H1       HOH 170   5.186   6.529   9.291
  239    H2   HOH 203           H2       HOH 170   5.439   5.887   7.943
  240    H1   HOH 204           H1       HOH 145  -0.850   3.926   1.495
  241    H2   HOH 204           H2       HOH 145  -2.120   3.582   2.247
  242    H1   HOH 205           H1       HOH 171   4.798   8.691   6.374
  243    H2   HOH 205           H2       HOH 171   5.135  10.115   6.760
  244    H1   HOH 206           H1       HOH 164   3.967   0.109 -10.713
  245    H2   HOH 206           H2       HOH 164   5.194  -0.359 -11.467
  246    H1   HOH 207           H1       HOH  51   0.277  -7.604   6.483
  247    H2   HOH 207           H2       HOH  51  -0.711  -6.573   5.997
  248    H1   HOH 208           H1       HOH 158  -3.324  -0.941 -10.316
  249    H2   HOH 208           H2       HOH 158  -3.998   0.410 -10.190
  250    H1   HOH 209           H1       HOH  28   3.224  -9.637  -9.727
  251    H2   HOH 209           H2       HOH  28   4.212 -10.464  -8.933
  252    H1   HOH 210           H1       HOH  53  -5.994  -7.402   8.544
  253    H2   HOH 210           H2       HOH  53  -5.405  -6.288   7.708
  254    H1   HOH 211           H1       HOH  59  -3.968  -5.792  10.950
  255    H2   HOH 211           H2       HOH  59  -4.405  -5.721   9.503
  256    H1   HOH 212           H1       HOH 178   9.575  10.312   5.057
  257    H2   HOH 212           H2       HOH 178  10.209  11.472   4.317
  258    H1   HOH 213           H1       HOH  46   2.819  -8.615  -6.964
  259    H2   HOH 213           H2       HOH  46   3.828  -7.517  -6.704
  260    H1   HOH 214           H1       HOH 114 -10.983   0.126   6.685
  261    H2   HOH 214           H2       HOH 114 -11.982  -0.138   7.793
  262    H1   HOH 215           H1       HOH 149   3.384   5.036  -9.622
  263    H2   HOH 215           H2       HOH 149   4.039   3.805  -9.039
  264    H1   HOH 216           H1       HOH  80   4.330   4.716   6.594
  265    H2   HOH 216           H2       HOH  80   4.731   3.447   7.316
  266    H1   HOH 217           H1       HOH 172  -2.088   4.395   9.221
  267    H2   HOH 217           H2       HOH 172  -2.199   3.054   8.535
  268    H1   HOH 218           H1       HOH 152   1.909   5.402  -7.592
  269    H2   HOH 218           H2       HOH 152   1.838   3.987  -8.127
  270    H1   HOH 219           H1       HOH  36  -1.054  -7.209   7.994
  271    H2   HOH 219           H2       HOH  36  -0.198  -7.578   9.190
  272    H1   HOH 220           H1       HOH 116 -11.431  -0.009  -2.573
  273    H2   HOH 220           H2       HOH 116 -11.531  -0.270  -4.063
  274    H1   HOH 221           H1       HOH   9  -9.908  -3.500   6.091
  275    H2   HOH 221           H2       HOH   9 -10.394  -2.118   5.714
  276    H1   HOH 222           H1       HOH  17   0.510 -10.662  -9.118
  277    H2   HOH 222           H2       HOH  17   0.510 -11.758  -8.077
  278    H1   HOH 223           H1       HOH  77  -5.301  -0.059   9.053
  279    H2   HOH 223           H2       HOH  77  -5.445   1.078  10.040
  280    H1   HOH 224           H1       HOH  50  -1.735  -6.788  -5.488
  281    H2   HOH 224           H2       HOH  50  -0.545  -7.670  -5.820
  282    H1   HOH 225           H1       HOH  49  -0.554  -4.799   1.982
  283    H2   HOH 225           H2       HOH  49  -1.309  -5.434   0.833
  284    H1   HOH 226           H1       HOH  11 -17.321  -5.892   3.656
  285    H2   HOH 226           H2       HOH  11 -18.081  -4.916   2.784
  286    H1   HOH 227           H1       HOH 197  16.135   4.618   0.429
  287    H2   HOH 227           H2       HOH 197  16.815   4.349  -0.899
  288    H1   HOH 228           H1       HOH 161  -9.409   8.356   2.549
  289    H2   HOH 228           H2       HOH 161  -8.507   7.447   1.739
  290    H1   HOH 229           H1       HOH  90  15.070  -0.985   2.448
  291    H2   HOH 229           H2       HOH  90  15.278   0.477   2.785
  292    H1   HOH 230           H1       HOH  19 -10.686 -11.297  -5.425
  293    H2   HOH 230           H2       HOH  19 -10.131 -10.029  -6.035
  294    H1   HOH 231           H1       HOH  57   7.698   0.001   5.678
  295    H2   HOH 231           H2       HOH  57   8.067  -0.376   7.097
  296    H1   HOH 232           H1       HOH  63   7.567  -6.336   3.495
  297    H2   HOH 232           H2       HOH  63   6.863  -7.198   4.524
  298    H1   HOH 233           H1       HOH  40   2.364  -5.822   4.479
  299    H2   HOH 233           H2       HOH  40   1.437  -7.011   4.395
  300    H1   HOH 234           H1       HOH 199  10.572   2.477  -3.410
  301    H2   HOH 234           H2       HOH 199  11.126   1.112  -3.757
  302    H1   HOH 235           H1       HOH  81   5.540  -9.021 -10.655
  303    H2   HOH 235           H2       HOH  81   5.890  -9.461 -12.058
  304    H1   HOH 236           H1       HOH 175  -2.602   4.791   7.097
  305    H2   HOH 236           H2       HOH 175  -2.072   6.208   7.075
  306    H1   HOH 237           H1       HOH  21  -2.930 -12.993  -7.542
  307    H2   HOH 237           H2       HOH  21  -1.666 -12.202  -7.276
  308    H1   HOH 238           H1       HOH 123 -10.403   3.979   8.179
  309    H2   HOH 238           H2       HOH 123  -9.664   5.221   8.623
  310    H1   HOH 239           H1       HOH   2 -13.064 -10.813  -1.076
  311    H2   HOH 239           H2       HOH   2 -12.421 -11.873  -1.939
  312    H1   HOH 240           H1       HOH 121 -13.094   9.437   4.462
  313    H2   HOH 240           H2       HOH 121 -14.156   9.195   5.518
  314    H1   HOH 241           H1       HOH 110 -17.176  -5.301  -1.593
  315    H2   HOH 241           H2       HOH 110 -18.515  -5.637  -0.970
  316    H1   HOH 242           H1       HOH  27  -3.726 -12.216 -12.893
  317    H2   HOH 242           H2       HOH  27  -2.664 -12.836 -13.779
  318    H1   HOH 243           H1       HOH 194   7.138  -3.336 -11.644
  319    H2   HOH 243           H2       HOH 194   5.840  -3.704 -12.330
  320    H1   HOH 244           H1       HOH  24   2.476 -11.639  -6.823
  321    H2   HOH 244           H2       HOH  24   1.361 -10.624  -6.697
  322    H1   HOH 245           H1       HOH  41   2.790  -8.572   0.214
  323    H2   HOH 245           H2       HOH  41   2.448  -7.971  -1.133
  324    H1   HOH 246           H1       HOH 154  -6.220  -1.152  -8.389
  325    H2   HOH 246           H2       HOH 154  -7.293  -0.477  -9.216
  326    H1   HOH 247           H1       HOH 137  -1.892 -10.074 -14.106
  327    H2   HOH 247           H2       HOH 137  -1.327  -8.679 -13.932
  328    H1   HOH 248           H1       HOH  95  11.348  -6.287  -7.652
  329    H2   HOH 248           H2       HOH  95  11.044  -7.077  -6.397
  330    H1   HOH 249           H1       HOH 155  -6.509  -2.967  -9.487
  331    H2   HOH 249           H2       HOH 155  -5.434  -3.600 -10.347
  332    H1   HOH 250           H1       HOH 101 -12.733   1.557   3.286
  333    H2   HOH 250           H2       HOH 101 -13.143   2.077   1.925
  334    H1   HOH 251           H1       HOH 180   7.369  -5.775 -13.017
  335    H2   HOH 251           H2       HOH 180   7.027  -7.249 -13.100
  336    H1   HOH 252           H1       HOH  48   3.340  -9.737   2.237
  337    H2   HOH 252           H2       HOH  48   1.829  -9.782   2.143
  338    H1   HOH 253           H1       HOH 126  -3.784  -8.577 -13.960
  339    H2   HOH 253           H2       HOH 126  -5.079  -8.932 -14.663
  340    H1   HOH 254           H1       HOH 120 -13.956   7.175   7.820
  341    H2   HOH 254           H2       HOH 120 -15.460   7.105   7.666
  342    H1   HOH 255           H1       HOH  94  11.386  -9.848 -10.080
  343    H2   HOH 255           H2       HOH  94  11.158  -9.875  -8.583
  344    H1   HOH 256           H1       HOH  34   5.221 -10.834   3.046
  345    H2   HOH 256           H2       HOH  34   5.081  -9.684   4.020
  346    H1   HOH 257           H1       HOH 109 -11.326   9.857   3.014
  347    H2   HOH 257           H2       HOH 109 -12.490  10.290   2.145
  348    H1   HOH 258           H1       HOH 143  -0.786   5.949  -1.267
  349    H2   HOH 258           H2       HOH 143  -2.045   5.191  -0.902
  350    H1   HOH 259           H1       HOH  44   6.528  -9.163   0.346
  351    H2   HOH 259           H2       HOH  44   7.370  -7.918   0.529
  352    H1   HOH 260           H1       HOH 136   1.571  -4.912 -12.479
  353    H2   HOH 260           H2       HOH 136   1.842  -4.676 -13.947
  354    H1   HOH 261           H1       HOH 122 -11.920   8.439   8.686
  355    H2   HOH 261           H2       HOH 122 -12.816   7.845   9.751
  356    H1   HOH 262           H1       HOH 140  -3.933   5.502  -0.362
  357    H2   HOH 262           H2       HOH 140  -4.849   4.486  -1.011
  358    H1   HOH 263           H1       HOH  10 -12.275  -9.889   1.081
  359    H2   HOH 263           H2       HOH  10 -13.271 -10.986   1.387
  360    H1   HOH 264           H1       HOH 189  11.521  -5.692  -9.826
  361    H2   HOH 264           H2       HOH 189  10.599  -5.798 -11.024
  362    H1   HOH 265           H1       HOH 147 -10.328  -0.353  -6.302
  363    H2   HOH 265           H2       HOH 147 -11.157  -1.504  -5.764
  364    H1   HOH 266           H1       HOH 135  -5.823 -12.365 -11.425
  365    H2   HOH 266           H2       HOH 135  -6.004 -13.033 -12.770
  366    H1   HOH 267           H1       HOH  12 -16.630  -7.237  -0.858
  367    H2   HOH 267           H2       HOH  12 -16.269  -8.570  -1.483
  368    H1   HOH 268           H1       HOH 124 -11.589   9.530   5.869
  369    H2   HOH 268           H2       HOH 124 -10.491   9.584   6.911
  370    H1   HOH 269           H1       HOH 148  -2.312  -1.466 -11.861
  371    H2   HOH 269           H2       HOH 148  -2.819  -2.869 -11.583
  372    H1   HOH 270           H1       HOH 181  10.775  -7.274 -13.016
  373    H2   HOH 270           H2       HOH 181   9.363  -6.919 -12.602
  374    H1   HOH 271           H1       HOH 179  -8.927  10.537   3.540
  375    H2   HOH 271           H2       HOH 179  -9.871   9.774   4.444
  376    H1   HOH 272           H1       HOH 107 -15.253   3.930   6.560
  377    H2   HOH 272           H2       HOH 107 -14.399   5.164   6.374
  378    H1   HOH 273           H1       HOH  74   7.727   4.763   6.567
  379    H2   HOH 273           H2       HOH  74   9.132   4.602   7.104
  380    H1   HOH 274           H1       HOH   3 -14.327 -11.205  -3.250
  381    H2   HOH 274           H2       HOH   3 -15.756 -10.705  -3.347
  382    H1   HOH 275           H1       HOH 129  -1.390  -6.526 -13.144
  383    H2   HOH 275           H2       HOH 129  -0.712  -5.185 -12.976
  384    H1   HOH 276           H1       HOH 173   5.188  10.900   2.466
  385    H2   HOH 276           H2       HOH 173   5.384  12.312   2.974
  386    H1   HOH 277           H1       HOH  25   4.093 -10.152  -6.900
  387    H2   HOH 277           H2       HOH  25   5.066 -11.316  -6.930
  388    H1   HOH 278           H1       HOH  98  14.103   1.845   4.223
  389    H2   HOH 278           H2       HOH  98  15.393   1.713   5.002
  390    H1   HOH 279           H1       HOH  71   5.961   3.981   8.838
  391    H2   HOH 279           H2       HOH  71   7.036   3.312   8.006
  392    H1   HOH 280           H1       HOH  33  -1.741  -7.140  -0.898
  393    H2   HOH 280           H2       HOH  33  -2.030  -7.712   0.472
  394    H1   HOH 281           H1       HOH  64   9.539  -2.699   4.049
  395    H2   HOH 281           H2       HOH  64   8.145  -2.263   4.452
  396    H1   HOH 282           H1       HOH 104 -15.989  -4.685  -3.627
  397    H2   HOH 282           H2       HOH 104 -16.331  -3.473  -2.777
  398    H1   HOH 283           H1       HOH  85  13.458  -6.985  -9.165
  399    H2   HOH 283           H2       HOH  85  12.169  -7.779  -9.107
  400    H1   HOH 284           H1       HOH  83  13.824  -2.059  -2.793
  401    H2   HOH 284           H2       HOH  83  14.694  -3.279  -2.999
  402    H1   HOH 285           H1       HOH   4 -12.911  -8.744   3.212
  403    H2   HOH 285           H2       HOH   4 -11.491  -8.226   3.130
  404    H1   HOH 286           H1       HOH 176   4.527   8.519   8.588
  405    H2   HOH 286           H2       HOH 176   4.390   8.932  10.039
  406    H1   HOH 287           H1       HOH 115 -12.897  -2.643  -5.290
  407    H2   HOH 287           H2       HOH 115 -12.737  -3.418  -6.583
  408    H1   HOH 288           H1       HOH 127  -2.996  -4.925 -12.138
  409    H2   HOH 288           H2       HOH 127  -4.474  -5.214 -11.967
  410    H1   HOH 289           H1       HOH 108 -12.351   3.525   0.435
  411    H2   HOH 289           H2       HOH 108 -11.390   2.398   0.732
  412    H1   HOH 290           H1       HOH  99 -12.955  -7.780  -7.285
  413    H2   HOH 290           H2       HOH  99 -14.271  -8.170  -6.649
  414    H1   HOH 291           H1       HOH 113  -9.689   1.757   9.075
  415    H2   HOH 291           H2       HOH 113 -10.843   1.758   8.092
  416    H1   HOH 292           H1       HOH 167   3.520   7.272  -6.936
  417    H2   HOH 292           H2       HOH 167   4.000   5.836  -6.911
  418    H1   HOH 293           H1       HOH  75  -3.494   2.665  10.153
  419    H2   HOH 293           H2       HOH  75  -4.503   3.034  11.217
  420    H1   HOH 294           H1       HOH  52   8.907  -2.331   0.622
  421    H2   HOH 294           H2       HOH  52   9.066  -2.839   2.040
  422    H1   HOH 295           H1       HOH  13  -8.842  -0.583   9.878
  423    H2   HOH 295           H2       HOH  13  -7.777   0.491   9.804
  424    H1   HOH 296           H1       HOH 163   2.408   0.258 -13.937
  425    H2   HOH 296           H2       HOH 163   3.433   0.145 -12.825
  426    H1   HOH 297           H1       HOH 125 -10.200  10.098   9.201
  427    H2   HOH 297           H2       HOH 125  -9.483   8.816   8.836
  428    H1   HOH 298           H1       HOH  22  -7.649 -11.367 -10.345
  429    H2   HOH 298           H2       HOH  22  -7.389 -12.453  -9.323
  430    H1   HOH 299           H1       HOH   7  -7.027  -5.503   8.979
  431    H2   HOH 299           H2       HOH   7  -6.782  -5.169  10.431
  432    H1   HOH 300           H1       HOH  16 -11.544 -12.054  -0.127
  433    H2   HOH 300           H2       HOH  16 -10.434 -13.082  -0.189
  434    H1   HOH 301           H1       HOH 100 -15.390 -10.283  -6.892
  435    H2   HOH 301           H2       HOH 100 -14.966 -10.161  -5.445
  436    H1   HOH 302           H1       HOH 132  -6.253  -5.980 -13.178
  437    H2   HOH 302           H2       HOH 132  -5.391  -7.201 -12.931
  438    H1   HOH 303           H1       HOH 196   4.697   1.574 -13.677
  439    H2   HOH 303           H2       HOH 196   5.251   2.882 -13.150
  440    H1   HOH 304           H1       HOH 169   4.526  -2.252 -13.657
  441    H2   HOH 304           H2       HOH 169   4.188  -2.166 -12.184
  442    H1   HOH 305           H1       HOH 131  -6.972  -6.302 -11.099
  443    H2   HOH 305           H2       HOH 131  -7.134  -5.203 -10.071
  444    H1   HOH 306           H1       HOH 193  10.359  -0.527  -5.486
  445    H2   HOH 306           H2       HOH 193  10.980  -1.125  -4.240
  446    H1   HOH 307           H1       HOH  91  12.083  -3.148  -2.994
  447    H2   HOH 307           H2       HOH  91  10.973  -3.341  -4.005
  448    H1   HOH 308           H1       HOH  93  10.338  -5.198  -5.553
  449    H2   HOH 308           H2       HOH  93   9.473  -5.119  -4.310
  450    H1   HOH 309           H1       HOH  18  -4.479 -14.122  -9.250
  451    H2   HOH 309           H2       HOH  18  -4.087 -15.250  -8.321
  452    H1   HOH 310           H1       HOH  26  -5.004 -12.135  -5.424
  453    H2   HOH 310           H2       HOH  26  -3.636 -11.590  -5.777
  454    H1   HOH 311           H1       HOH  82   9.998 -10.685  -6.647
  455    H2   HOH 311           H2       HOH  82  10.990 -11.764  -7.033
  456    H1   HOH 312           H1       HOH 198  18.014   1.994  -4.524
  457    H2   HOH 312           H2       HOH 198  17.003   3.114  -4.376
  458    H1   HOH 313           H1       HOH  43  -2.410  -8.602  -2.619
  459    H2   HOH 313           H2       HOH  43  -1.488  -7.664  -3.369
  460    H1   HOH 314           H1       HOH  29   4.200 -11.758 -12.397
  461    H2   HOH 314           H2       HOH  29   4.313 -10.607 -11.419
  462    H1   HOH 315           H1       HOH  54  -0.565  -6.045  11.267
  463    H2   HOH 315           H2       HOH  54   0.849  -6.570  11.144
  464    H1   HOH 316           H1       HOH 185  16.312   5.158  -4.745
  465    H2   HOH 316           H2       HOH 185  15.497   4.595  -5.892
  466    H1   HOH 317           H1       HOH 138  -9.589   5.088  -1.098
  467    H2   HOH 317           H2       HOH 138 -10.136   3.704  -0.823
  468    H1   HOH 318           H1       HOH 112 -12.831   1.591   5.749
  469    H2   HOH 318           H2       HOH 112 -13.607   2.819   5.319
  470    H1   HOH 319           H1       HOH  62  -5.651  -8.332   4.760
  471    H2   HOH 319           H2       HOH  62  -7.145  -8.504   4.601
  472    H1   HOH 320           H1       HOH  14  -7.404  -2.120   9.838
  473    H2   HOH 320           H2       HOH  14  -8.273  -3.359   9.813
  474    H1   HOH 321           H1       HOH   6 -11.036  -6.470   4.865
  475    H2   HOH 321           H2       HOH   6  -9.772  -6.945   5.550
  476    H1   HOH 322           H1       HOH 186   7.420  -1.135 -11.399
  477    H2   HOH 322           H2       HOH 186   8.286  -1.170 -10.159
  478    H1   HOH 323           H1       HOH 192  10.964   9.554  -1.769
  479    H2   HOH 323           H2       HOH 192  11.442   9.715  -3.196
  480    H1   HOH 324           H1       HOH  55   1.460  -5.036   6.222
  481    H2   HOH 324           H2       HOH  55   2.648  -4.108   6.371
  482    H1   HOH 325           H1       HOH  45   5.046  -8.997   6.275
  483    H2   HOH 325           H2       HOH  45   6.263  -9.895   6.220
  484    H1   HOH 326           H1       HOH 144   3.604   8.609  -0.020
  485    H2   HOH 326           H2       HOH 144   3.214   8.373   1.424
  486    H1   HOH 327           H1       HOH  72   0.967   2.889   9.922
  487    H2   HOH 327           H2       HOH  72  -0.535   2.730  10.053
  488    H1   HOH 328           H1       HOH 190   7.518  -0.193 -13.338
  489    H2   HOH 328           H2       HOH 190   6.418   0.733 -12.870
  490    H1   HOH 329           H1       HOH  39   9.732  -7.896   1.389
  491    H2   HOH 329           H2       HOH  39   8.859  -6.757   1.872
  492    H1   HOH 330           H1       HOH  92  13.791  -3.495  -0.715
  493    H2   HOH 330           H2       HOH  92  14.804  -3.750   0.379
  494    H1   HOH 331           H1       HOH 134  -8.590  -7.332  -9.573
  495    H2   HOH 331           H2       HOH 134 -10.095  -7.202  -9.614
  496    H1   HOH 332           H1       HOH 106 -14.087   0.476  -2.950
  497    H2   HOH 332           H2       HOH 106 -14.353   0.717  -1.478
  498    H1   HOH 333           H1       HOH  73   2.911   4.583   9.573
  499    H2   HOH 333           H2       HOH  73   2.857   3.741   8.318
  500    H1   HOH 334           H1       HOH 191  18.785   4.273  -1.499
  501    H2   HOH 334           H2       HOH 191  18.008   3.814  -2.718
  502    H1   HOH 335           H1       HOH 183  10.153  -1.706  -7.688
  503    H2   HOH 335           H2       HOH 183   9.471  -0.357  -7.620
  504    H1   HOH 336           H1       HOH  89   8.179  -9.730  -5.170
  505    H2   HOH 336           H2       HOH  89   9.252 -10.483  -4.414
  506    H1   HOH 337           H1       HOH  32  -6.774 -13.198  -6.959
  507    H2   HOH 337           H2       HOH  32  -5.340 -13.682  -7.051
  508    H1   HOH 338           H1       HOH  56   6.065  -1.278   6.941
  509    H2   HOH 338           H2       HOH  56   5.201  -0.691   8.039
  510    H1   HOH 339           H1       HOH  37   6.252  -7.741  -1.557
  511    H2   HOH 339           H2       HOH  37   5.102  -7.232  -2.398
  512    H1   HOH 340           H1       HOH 102 -20.167  -3.776   2.045
  513    H2   HOH 340           H2       HOH 102 -20.355  -4.419   3.401
  514    H1   HOH 341           H1       HOH 142   5.475   7.333  -8.077
  515    H2   HOH 341           H2       HOH 142   5.360   5.957  -8.707
  516    H1   HOH 342           H1       HOH 117 -13.254  -1.499  -3.555
  517    H2   HOH 342           H2       HOH 117 -14.671  -2.027  -3.472
  518    H1   HOH 343           H1       HOH 133   0.572  -6.802 -13.807
  519    H2   HOH 343           H2       HOH 133   0.929  -8.231 -14.152
  520    H1   HOH 344           H1       HOH 166  -9.594   4.033  -3.116
  521    H2   HOH 344           H2       HOH 166 -10.033   2.976  -4.107
  522    H1   HOH 345           H1       HOH 150  -1.696   0.637 -12.737
  523    H2   HOH 345           H2       HOH 150  -3.130   0.629 -13.220
  524    H1   HOH 346           H1       HOH 103 -17.334  -1.375  -2.628
  525    H2   HOH 346           H2       HOH 103 -15.912  -0.934  -2.368
  526    H1   HOH 347           H1       HOH 195  14.679   8.610  -3.480
  527    H2   HOH 347           H2       HOH 195  16.027   7.918  -3.445
  528    H1   HOH 348           H1       HOH 105 -14.602   3.776   1.958
  529    H2   HOH 348           H2       HOH 105 -14.344   4.214   0.531
  530    H1   HOH 349           H1       HOH  60   8.329  -5.497  -2.414
  531    H2   HOH 349           H2       HOH  60   7.409  -6.382  -3.224
  532    H1   HOH 350           H1       HOH 111 -15.184  -6.099  -5.617
  533    H2   HOH 350           H2       HOH 111 -14.910  -4.625  -5.792
  534    H1   HOH 351           H1       HOH  35   6.540  -8.339  -3.955
  535    H2   HOH 351           H2       HOH  35   5.957  -8.875  -5.246
  536    H1   HOH 352           H1       HOH  15  -7.854  -6.493   7.160
  537    H2   HOH 352           H2       HOH  15  -9.062  -5.950   7.890
  538    H1   HOH 353           H1       HOH  76  -1.262  -4.806  13.190
  539    H2   HOH 353           H2       HOH  76  -1.495  -3.769  12.113
  540    H1   HOH 354           H1       HOH  65  10.024  -5.252   2.848
  541    H2   HOH 354           H2       HOH  65   8.783  -4.559   3.366
  542    H1   HOH 355           H1       HOH  31  -9.848 -12.930  -4.330
  543    H2   HOH 355           H2       HOH  31  -9.322 -13.761  -5.474
  544    H1   HOH 356           H1       HOH  69  -2.647  -1.517  12.455
  545    H2   HOH 356           H2       HOH  69  -1.178  -1.258  12.194
  546    H1   HOH 357           H1       HOH 156  -3.215   7.967   0.772
  547    H2   HOH 357           H2       HOH 156  -2.473   6.761   0.245
  548    H1   HOH 358           H1       HOH   1 -18.041  -9.946  -2.702
  549    H2   HOH 358           H2       HOH   1 -17.380  -9.065  -3.739
  550    H1   HOH 359           H1       HOH  96  12.009  -2.818   4.721
  551    H2   HOH 359           H2       HOH  96  11.543  -3.491   3.446
  552    H1   HOH 360           H1       HOH 159   0.186   1.148 -13.720
  553    H2   HOH 360           H2       HOH 159   0.243   2.335 -12.781
  554    H1   HOH 361           H1       HOH  86  16.929  -2.371   0.607
  555    H2   HOH 361           H2       HOH  86  17.364  -3.808   0.796
  556    H1   HOH 362           H1       HOH  97  14.009  -3.085   2.245
  557    H2   HOH 362           H2       HOH  97  15.518  -2.986   2.261
  558    H1   HOH 363           H1       HOH  42  -3.798 -10.492  -3.646
  559    H2   HOH 363           H2       HOH  42  -3.971 -10.255  -2.158
  560    H1   HOH 364           H1       HOH 130  -9.630 -10.233 -11.196
  561    H2   HOH 364           H2       HOH 130  -9.076  -9.411 -10.052
  562    H1   HOH 365           H1       HOH  87  20.635   3.336  -0.102
  563    H2   HOH 365           H2       HOH  87  19.284   2.966   0.470
  564    H1   HOH 366           H1       HOH 146  -6.718   3.990   0.074
  565    H2   HOH 366           H2       HOH 146  -7.502   4.049  -1.220
  566    H1   HOH 367           H1       HOH   8 -12.764  -5.167   5.942
  567    H2   HOH 367           H2       HOH   8 -11.706  -4.349   5.232
  568    H1   HOH 368           H1       HOH  66   7.488 -11.233  -6.121
  569    H2   HOH 368           H2       HOH  66   7.128 -12.384  -7.035
  570    H1   HOH 369           H1       HOH 139  -1.659   5.297  -8.561
  571    H2   HOH 369           H2       HOH 139  -0.207   5.720  -8.456
  572    H1   HOH 370           H1       HOH  61  -5.976  -9.607   2.661
  573    H2   HOH 370           H2       HOH  61  -5.107 -10.827   2.443
  574    H1   HOH 371           H1       HOH 157  -6.396   3.004  -8.709
  575    H2   HOH 371           H2       HOH 157  -5.390   3.977  -9.288
  576    H1   HOH 372           H1       HOH 182   7.289   5.548  -7.781
  577    H2   HOH 372           H2       HOH 182   7.393   4.423  -6.773
  578    H1   HOH 373           H1       HOH 187  17.881   6.904  -4.077
  579    H2   HOH 373           H2       HOH 187  17.400   5.872  -3.076
  580    H1   HOH 374           H1       HOH   5 -13.768  -8.903   5.359
  581    H2   HOH 374           H2       HOH   5 -14.875  -9.645   4.644
  582    H1   HOH 375           H1       HOH 128 -10.540  -4.729 -11.011
  583    H2   HOH 375           H2       HOH 128  -9.352  -5.519 -10.504
  584    H1   HOH 376           H1       HOH  58  -9.202 -14.475   1.315
  585    H2   HOH 376           H2       HOH  58  -8.428 -13.177   1.222
  586    H1   HOH 377           H1       HOH 151   1.228   0.273 -15.796
  587    H2   HOH 377           H2       HOH 151   0.249  -0.684 -15.150
  588    H1   HOH 378           H1       HOH 184   9.994   1.489  -8.711
  589    H2   HOH 378           H2       HOH 184   8.534   1.495  -9.102
  590    H1   HOH 379           H1       HOH 118 -15.418   6.020  -0.687
  591    H2   HOH 379           H2       HOH 118 -14.095   5.684  -1.339
  592    H1   HOH 380           H1       HOH  79   5.715   1.481   8.956
  593    H2   HOH 380           H2       HOH  79   4.603   0.826   9.750
  594    H1   HOH 381           H1       HOH  30  -8.901 -12.788  -7.135
  595    H2   HOH 381           H2       HOH  30  -8.773 -13.929  -8.118
  596    H1   HOH 382           H1       HOH  67  -0.028   0.875  11.335
  597    H2   HOH 382           H2       HOH  67  -0.112   0.863  12.845
  598    H1   HOH 383           H1       HOH 119 -13.748  -4.636  -8.345
  599    H2   HOH 383           H2       HOH 119 -13.625  -5.668  -7.243
  600    H1   HOH 384           H1       HOH 153  -2.164   3.119  -8.951
  601    H2   HOH 384           H2       HOH 153  -3.622   3.448  -8.716
  602    H1   HOH 385           H1       HOH  84  12.343  -4.310   1.198
  603    H2   HOH 385           H2       HOH  84  10.901  -3.891   1.420
  604    H1   HOH 386           H1       HOH  47   4.053  -2.672   7.496
  605    H2   HOH 386           H2       HOH  47   3.328  -3.298   8.669
  606    H1   HOH 387           H1       HOH  88  14.376  -2.870   5.934
  607    H2   HOH 387           H2       HOH  88  14.179  -2.737   4.439
  608    H1   HOH 388           H1       HOH  38  -5.211 -10.412   0.233
  609    H2   HOH 388           H2       HOH  38  -5.875 -10.442  -1.127
  610    H1   HOH 389           H1       HOH  23  -9.907 -14.394  -2.294
  611    H2   HOH 389           H2       HOH  23  -8.449 -14.215  -1.933
  612    H1   HOH 390           H1       HOH 188  10.690   5.986  -7.063
  613    H2   HOH 390           H2       HOH 188   9.608   4.929  -7.016
  614    H1   HOH 391           H1       HOH 168   4.113   9.498  -7.873
  615    H2   HOH 391           H2       HOH 168   4.897   9.233  -6.607
  616    H1   HOH 392           H1       HOH 160   5.854  11.469  -2.426
  617    H2   HOH 392           H2       HOH 160   6.880  10.358  -2.391
  618    H1   HOH 393           H1       HOH  68   2.257   1.192  10.722
  619    H2   HOH 393           H2       HOH  68   3.049   2.328  10.116
  620    H1   HOH 394           H1       HOH 162  -8.811   3.773  -7.585
  621    H2   HOH 394           H2       HOH 162  -9.193   3.245  -8.949
  622    H1   HOH 395           H1       HOH  70   4.150  -2.077  10.439
  623    H2   HOH 395           H2       HOH  70   2.812  -2.476  11.024
  624    H1   HOH 396           H1       HOH  78   1.121  -1.074  12.107
  625    H2   HOH 396           H2       HOH  78   1.990  -1.652  13.204
  626    H1   HOH 397           H1       HOH 165  -9.521   5.928  -6.422
  627    H2   HOH 397           H2       HOH 165  -9.648   4.648  -5.622
  628    H1   HOH 398           H1       HOH  20  -8.191 -15.042  -4.364
  629    H2   HOH 398           H2       HOH  20  -7.184 -14.663  -5.433
  630    H1   HOH 399           H1       HOH 141  -5.050   6.542  -9.939
  631    H2   HOH 399           H2       HOH 141  -4.005   5.604  -9.373
  Start of MODEL    6
    1    HA   PRO  62           HA       PRO  62 -11.041  -7.280  -4.047
    2    HB2  PRO  62           HB2      PRO  62 -12.741  -6.035  -1.860
    3    HB3  PRO  62           HB3      PRO  62 -11.847  -5.225  -3.187
    4    HG2  PRO  62           HG2      PRO  62 -14.480  -5.668  -3.522
    5    HG3  PRO  62           HG3      PRO  62 -13.353  -6.121  -4.845
    6    HD2  PRO  62           HD2      PRO  62 -14.546  -7.896  -2.706
    7    HD3  PRO  62           HD3      PRO  62 -14.488  -8.183  -4.461
    8    H    PHE  63           H        PHE  63  -9.738  -5.986  -2.149
    9    HA   PHE  63           HA       PHE  63  -9.397  -7.714   0.241
   10    HB2  PHE  63           HB2      PHE  63  -7.507  -7.605  -1.912
   11    HB3  PHE  63           HB3      PHE  63  -6.818  -6.672  -0.603
   12    HD1  PHE  63           HD1      PHE  63  -7.983 -10.002  -1.688
   13    HD2  PHE  63           HD2      PHE  63  -6.356  -7.745   1.617
   14    HE1  PHE  63           HE1      PHE  63  -7.590 -12.104  -0.436
   15    HE2  PHE  63           HE2      PHE  63  -6.069  -9.827   2.894
   16    HZ   PHE  63           HZ       PHE  63  -6.673 -12.026   1.873
   17    H    ALA  64           H        ALA  64  -7.724  -6.446   1.768
   18    HA   ALA  64           HA       ALA  64  -8.110  -3.536   1.653
   19    HB1  ALA  64           HB1      ALA  64  -8.951  -3.438   3.971
   20    HB2  ALA  64           HB2      ALA  64 -10.065  -4.358   2.938
   21    HB3  ALA  64           HB3      ALA  64  -8.973  -5.215   4.051
   22    H    CYS  65           H        CYS  65  -6.775  -2.382   3.180
   23    HA   CYS  65           HA       CYS  65  -4.142  -3.673   3.663
   24    HB2  CYS  65           HB2      CYS  65  -5.052  -0.773   3.792
   25    HB3  CYS  65           HB3      CYS  65  -3.375  -1.357   3.889
   26    H    ASP  66           H        ASP  66  -3.096  -3.544   5.735
   27    HA   ASP  66           HA       ASP  66  -4.763  -3.096   8.133
   28    HB2  ASP  66           HB2      ASP  66  -2.724  -3.539   9.384
   29    HB3  ASP  66           HB3      ASP  66  -3.042  -4.829   8.233
   30    H    ILE  67           H        ILE  67  -1.864  -1.616   6.646
   31    HA   ILE  67           HA       ILE  67  -1.556   0.499   8.389
   32    HB   ILE  67           HB       ILE  67  -0.840   0.280   5.447
   33   HG12  ILE  67          2HG1      ILE  67   0.200  -1.400   6.908
   34   HG13  ILE  67          3HG1      ILE  67   1.366  -0.325   6.169
   35   HG21  ILE  67          HG21      ILE  67  -0.761   2.641   5.847
   36   HG22  ILE  67          HG22      ILE  67   0.052   2.422   7.411
   37   HG23  ILE  67          HG23      ILE  67   0.899   2.047   5.892
   38   HD11  ILE  67          1HD1      ILE  67   1.604   0.911   8.323
   39   HD12  ILE  67          2HD1      ILE  67   0.429  -0.202   9.074
   40   HD13  ILE  67          3HD1      ILE  67   1.981  -0.809   8.470
   41    H    CYS  68           H        CYS  68  -2.991   0.967   5.164
   42    HA   CYS  68           HA       CYS  68  -4.016   3.510   5.705
   43    HB2  CYS  68           HB2      CYS  68  -4.774   1.528   3.516
   44    HB3  CYS  68           HB3      CYS  68  -4.865   3.304   3.436
   45    H    GLY  69           H        GLY  69  -5.377   0.545   6.629
   46    HA2  GLY  69           HA2      GLY  69  -7.399  -0.325   7.155
   47    HA3  GLY  69           HA3      GLY  69  -7.969   1.326   7.392
   48    H    ARG  70           H        ARG  70  -7.149   1.288   4.253
   49    HA   ARG  70           HA       ARG  70  -9.934   1.305   3.409
   50    HB2  ARG  70           HB2      ARG  70  -7.274   2.015   2.127
   51    HB3  ARG  70           HB3      ARG  70  -8.773   2.015   1.182
   52    HG2  ARG  70           HG2      ARG  70  -9.810   3.647   2.569
   53    HG3  ARG  70           HG3      ARG  70  -8.575   3.518   3.817
   54    HD2  ARG  70           HD2      ARG  70  -6.892   4.490   2.289
   55    HD3  ARG  70           HD3      ARG  70  -8.107   4.585   1.008
   56    HE   ARG  70           HE       ARG  70  -9.140   6.389   2.076
   57   HH11  ARG  70          1HH1      ARG  70  -6.942   6.540   5.388
   58   HH12  ARG  70          2HH1      ARG  70  -6.804   5.097   4.411
   59   HH21  ARG  70          1HH2      ARG  70  -9.264   8.067   3.411
   60   HH22  ARG  70          2HH2      ARG  70  -8.183   8.200   4.787
   61    H    LYS  71           H        LYS  71 -10.842   0.320   1.608
   62    HA   LYS  71           HA       LYS  71 -10.014  -2.464   1.061
   63    HB2  LYS  71           HB2      LYS  71 -12.302  -0.850  -0.122
   64    HB3  LYS  71           HB3      LYS  71 -12.051  -2.597  -0.250
   65    HG2  LYS  71           HG2      LYS  71 -12.274  -2.732   2.286
   66    HG3  LYS  71           HG3      LYS  71 -12.679  -1.009   2.285
   67    HD2  LYS  71           HD2      LYS  71 -14.742  -2.114   2.397
   68    HD3  LYS  71           HD3      LYS  71 -14.614  -1.565   0.716
   69    HE2  LYS  71           HE2      LYS  71 -13.809  -3.872   0.079
   70    HE3  LYS  71           HE3      LYS  71 -13.993  -4.356   1.775
   71    HZ1  LYS  71           HZ1      LYS  71 -16.165  -3.584  -0.098
   72    HZ2  LYS  71           HZ2      LYS  71 -15.969  -5.010   0.678
   73    HZ3  LYS  71           HZ3      LYS  71 -16.394  -3.702   1.532
   74    H    PHE  72           H        PHE  72  -9.557  -3.229  -1.087
   75    HA   PHE  72           HA       PHE  72  -8.816  -1.275  -3.152
   76    HB2  PHE  72           HB2      PHE  72  -6.934  -1.659  -1.244
   77    HB3  PHE  72           HB3      PHE  72  -6.570  -3.060  -2.229
   78    HD1  PHE  72           HD1      PHE  72  -5.199  -2.752  -4.220
   79    HD2  PHE  72           HD2      PHE  72  -7.073   0.651  -2.339
   80    HE1  PHE  72           HE1      PHE  72  -3.982  -1.233  -5.752
   81    HE2  PHE  72           HE2      PHE  72  -5.819   2.173  -3.864
   82    HZ   PHE  72           HZ       PHE  72  -4.287   1.227  -5.575
   83    H    ALA  73           H        ALA  73  -7.807  -2.273  -5.017
   84    HA   ALA  73           HA       ALA  73  -8.858  -4.902  -5.820
   85    HB1  ALA  73           HB1      ALA  73  -8.753  -2.886  -7.334
   86    HB2  ALA  73           HB2      ALA  73  -6.978  -2.962  -7.243
   87    HB3  ALA  73           HB3      ALA  73  -7.909  -4.294  -7.963
   88    H    ARG  74           H        ARG  74  -6.587  -5.736  -7.322
   89    HA   ARG  74           HA       ARG  74  -4.777  -6.762  -5.170
   90    HB2  ARG  74           HB2      ARG  74  -5.944  -8.479  -6.301
   91    HB3  ARG  74           HB3      ARG  74  -5.617  -7.799  -7.893
   92    HG2  ARG  74           HG2      ARG  74  -3.295  -8.449  -7.797
   93    HG3  ARG  74           HG3      ARG  74  -3.433  -8.945  -6.086
   94    HD2  ARG  74           HD2      ARG  74  -4.927 -10.738  -6.608
   95    HD3  ARG  74           HD3      ARG  74  -5.266 -10.086  -8.217
   96    HE   ARG  74           HE       ARG  74  -3.626 -11.388  -9.041
   97   HH11  ARG  74          1HH1      ARG  74  -2.461 -13.061  -9.033
   98   HH12  ARG  74          2HH1      ARG  74  -1.447 -13.453  -7.653
   99   HH21  ARG  74          1HH2      ARG  74  -2.053 -10.725  -5.948
  100   HH22  ARG  74          2HH2      ARG  74  -1.779 -12.440  -5.767
  101    H    SER  75           H        SER  75  -4.446  -5.787  -8.603
  102    HA   SER  75           HA       SER  75  -2.758  -4.682  -9.700
  103    HB2  SER  75           HB2      SER  75  -3.011  -3.041  -7.163
  104    HB3  SER  75           HB3      SER  75  -2.112  -2.518  -8.602
  105    HG   SER  75           HG       SER  75  -3.854  -2.423  -9.771
  106    H    OUD  76           H        OUD  76  -1.314  -6.652  -9.499
  107    HA   OUD  76           HA       OUD  76   1.038  -6.158  -7.785
  108    HB3  OUD  76           HB3      OUD  76  -0.087  -8.482  -8.376
  109    HB2  OUD  76           HB2      OUD  76   0.917  -8.407  -9.808
  110    HM3  OUD  76           HM3      OUD  76   2.618  -5.706  -9.427
  111    HM2  OUD  76           HM2      OUD  76   1.679  -6.468 -10.711
  112    HN2  OUD  76           HN2      OUD  76   0.243  -4.532 -10.813
  113    H    OUE  77           H        OUE  77  -0.460  -2.605 -10.237
  114    HA   OUE  77           HA       OUE  77   1.628  -0.641  -9.474
  115    HB3  OUE  77           HB3      OUE  77   0.393  -0.280 -11.594
  116    HB2  OUE  77           HB2      OUE  77  -1.138  -0.359 -10.741
  117    HG3  OUE  77           HG3      OUE  77  -0.678   1.948 -11.204
  118    HG2  OUE  77           HG2      OUE  77  -0.535   1.753  -9.473
  119    HM2  OUE  77           HM2      OUE  77  -1.150  -0.447  -8.249
  120    HM3  OUE  77           HM3      OUE  77   0.318   0.460  -7.829
  121    HN2  OUE  77           HN2      OUE  77   0.479  -2.409  -7.426
  122    H    OUK  78           H        OUK  78  -0.840  -3.445  -5.887
  123    HA   OUK  78           HA       OUK  78   0.822  -2.340  -3.705
  124    HB2  OUK  78           HB2      OUK  78   0.342  -4.472  -2.471
  125    HB3  OUK  78           HB3      OUK  78  -0.783  -4.956  -3.734
  126    HG2  OUK  78           HG2      OUK  78  -2.259  -2.987  -3.173
  127    HG3  OUK  78           HG3      OUK  78  -1.118  -2.524  -1.904
  128    HD2  OUK  78           HD2      OUK  78  -1.474  -4.809  -0.848
  129    HD3  OUK  78           HD3      OUK  78  -2.713  -5.154  -2.050
  130    HE2  OUK  78           HE2      OUK  78  -4.159  -3.373  -1.205
  131    HE3  OUK  78           HE3      OUK  78  -2.848  -2.719  -0.202
  132    HZ3  OUK  78           HZ3      OUK  78  -4.254  -5.286   0.306
  133    HZ1  OUK  78           HZ1      OUK  78  -4.395  -3.838   1.185
  134    HZ2  OUK  78           HZ2      OUK  78  -2.972  -4.706   1.176
  135    HM3  OUK  78           HM3      OUK  78   2.236  -4.326  -4.036
  136    HM2  OUK  78           HM2      OUK  78   1.093  -4.990  -5.208
  137    HN2  OUK  78           HN2      OUK  78   1.814  -3.500  -6.842
  138    H    OUR  79           H        OUR  79   3.360  -2.334  -7.853
  139    HA   OUR  79           HA       OUR  79   5.357  -0.910  -6.165
  140    HB3  OUR  79           HB3      OUR  79   5.415  -1.194  -9.213
  141    HB2  OUR  79           HB2      OUR  79   6.647  -0.473  -8.184
  142    HG3  OUR  79           HG3      OUR  79   7.085  -2.762  -7.147
  143    HG2  OUR  79           HG2      OUR  79   5.881  -3.424  -8.265
  144    HD3  OUR  79           HD3      OUR  79   7.290  -2.325 -10.169
  145    HD2  OUR  79           HD2      OUR  79   8.575  -2.149  -8.956
  146    HE   OUR  79           HE       OUR  79   7.557  -4.528 -10.303
  147   HH12  OUR  79          2HH1      OUR  79   8.124  -6.762  -9.077
  148   HH11  OUR  79          1HH1      OUR  79   9.844  -6.723  -9.010
  149   HH22  OUR  79          2HH2      OUR  79  10.131  -3.343  -8.065
  150    HM2  OUR  79           HM2      OUR  79   3.743   0.289  -8.459
  151    HM3  OUR  79           HM3      OUR  79   4.841   1.145  -7.371
  152    HN2  OUR  79           HN2      OUR  79   2.073   0.482  -6.957
  153   HH21  OUR  79          1HH2      OUR  79  10.895  -4.906  -8.150
  154    H    OUH  80           H        OUH  80   1.053   1.189  -5.182
  155    HA   OUH  80           HA       OUH  80   2.724   2.482  -3.095
  156    HB2  OUH  80           HB2      OUH  80   0.477   3.580  -4.049
  157    HB3  OUH  80           HB3      OUH  80   1.028   3.779  -2.410
  158    HD2  OUH  80           HD2      OUH  80  -0.419   2.784  -0.338
  159    HD1  OUH  80           HD1      OUH  80  -1.596   1.367  -4.163
  160    HE1  OUH  80           HE1      OUH  80  -3.254   0.476  -2.396
  161    HM2  OUH  80           HM2      OUH  80   0.714   0.225  -2.645
  162    HM3  OUH  80           HM3      OUH  80   1.614   1.095  -1.381
  163    HN2  OUH  80           HN2      OUH  80   3.137  -0.274  -3.501
  164    H    OUK  81           H        OUK  81   4.503  -1.825  -2.852
  165    HA   OUK  81           HA       OUK  81   5.808  -0.768  -0.445
  166    HB2  OUK  81           HB2      OUK  81   7.156  -2.932  -0.243
  167    HB3  OUK  81           HB3      OUK  81   5.977  -3.693  -1.303
  168    HG2  OUK  81           HG2      OUK  81   4.159  -3.043   0.395
  169    HG3  OUK  81           HG3      OUK  81   5.437  -2.450   1.457
  170    HD2  OUK  81           HD2      OUK  81   6.447  -4.786   1.453
  171    HD3  OUK  81           HD3      OUK  81   5.150  -5.302   0.382
  172    HE2  OUK  81           HE2      OUK  81   4.473  -6.017   2.544
  173    HE3  OUK  81           HE3      OUK  81   3.473  -4.594   2.218
  174    HZ3  OUK  81           HZ3      OUK  81   4.822  -3.334   3.766
  175    HZ1  OUK  81           HZ1      OUK  81   5.927  -4.578   3.913
  176    HZ2  OUK  81           HZ2      OUK  81   4.368  -4.748   4.491
  177    HM3  OUK  81           HM3      OUK  81   7.886  -1.191  -1.770
  178    HM2  OUK  81           HM2      OUK  81   6.906  -1.909  -3.060
  179    HN2  OUK  81           HN2      OUK  81   6.138   0.224  -3.676
  180    H    OUI  82           H        OUI  82   6.017   2.434  -3.640
  181    HA   OUI  82           HA       OUI  82   6.699   3.656  -1.016
  182    HB   OUI  82           HB       OUI  82   6.541   5.878  -2.060
  183   3HG1  OUI  82          3HG1      OUI  82   6.624   4.403  -4.752
  184   2HG1  OUI  82          2HG1      OUI  82   5.233   5.262  -4.113
  185   1HG2  OUI  82          1HG2      OUI  82   8.766   4.149  -3.254
  186   2HG2  OUI  82          2HG2      OUI  82   8.713   4.724  -1.578
  187   3HG2  OUI  82          3HG2      OUI  82   8.835   5.884  -2.890
  188   2HD1  OUI  82          2HD1      OUI  82   7.901   6.526  -4.916
  189   3HD1  OUI  82          3HD1      OUI  82   6.610   7.396  -4.063
  190   1HD1  OUI  82          1HD1      OUI  82   6.326   6.738  -5.681
  191    HM2  OUI  82           HM2      OUI  82   4.155   4.046  -2.616
  192    HM3  OUI  82           HM3      OUI  82   4.575   4.851  -1.087
  193    HN2  OUI  82           HN2      OUI  82   4.753   1.977  -0.940
  194    H    OUH  83           H        OUH  83   3.699   1.001   0.590
  195    HA   OUH  83           HA       OUH  83   2.838   2.815   2.771
  196    HB2  OUH  83           HB2      OUH  83   2.978   0.893   4.249
  197    HB3  OUH  83           HB3      OUH  83   3.747  -0.089   3.017
  198    HD2  OUH  83           HD2      OUH  83   0.464   2.111   2.268
  199    HD1  OUH  83           HD1      OUH  83   1.728  -1.937   2.613
  200    HE1  OUH  83           HE1      OUH  83  -0.662  -1.868   1.638
  201    HM2  OUH  83           HM2      OUH  83   5.056   2.258   3.909
  202    HM3  OUH  83           HM3      OUH  83   5.150   3.359   2.526
  203    HN2  OUH  83           HN2      OUH  83   5.800   1.383   1.146
  204    H    ARG  84           H        ARG  84   7.448   0.407   0.834
  205    HA   ARG  84           HA       ARG  84   9.307  -0.507   2.972
  206    HB2  ARG  84           HB2      ARG  84   8.959  -1.761   0.845
  207    HB3  ARG  84           HB3      ARG  84   9.518  -0.353  -0.068
  208    HG2  ARG  84           HG2      ARG  84  11.767  -0.568   0.930
  209    HG3  ARG  84           HG3      ARG  84  11.206  -1.954   1.903
  210    HD2  ARG  84           HD2      ARG  84  10.740  -3.233  -0.120
  211    HD3  ARG  84           HD3      ARG  84  11.077  -1.817  -1.135
  212    HE   ARG  84           HE       ARG  84  13.229  -2.856   0.648
  213   HH11  ARG  84          1HH1      ARG  84  15.172  -3.887  -1.997
  214   HH12  ARG  84          2HH1      ARG  84  15.084  -3.630  -0.277
  215   HH21  ARG  84          1HH2      ARG  84  13.402  -3.535  -3.283
  216   HH22  ARG  84          2HH2      ARG  84  12.018  -2.684  -2.651
  217    H    LYS  85           H        LYS  85   8.681   2.258   1.077
  218    HA   LYS  85           HA       LYS  85  10.274   3.869   2.830
  219    HB2  LYS  85           HB2      LYS  85  11.911   3.992   1.114
  220    HB3  LYS  85           HB3      LYS  85  10.701   3.889  -0.177
  221    HG2  LYS  85           HG2      LYS  85   9.988   6.140   0.156
  222    HG3  LYS  85           HG3      LYS  85  10.941   6.313   1.645
  223    HD2  LYS  85           HD2      LYS  85  12.992   6.373   0.414
  224    HD3  LYS  85           HD3      LYS  85  12.206   5.826  -1.083
  225    HE2  LYS  85           HE2      LYS  85  12.677   8.276  -1.069
  226    HE3  LYS  85           HE3      LYS  85  10.978   7.883  -1.322
  227    HZ1  LYS  85           HZ1      LYS  85  12.081   8.679   1.325
  228    HZ2  LYS  85           HZ2      LYS  85  11.397   9.730   0.267
  229    HZ3  LYS  85           HZ3      LYS  85  10.491   8.535   0.919
  230    H    ASP  86           H        ASP  86   9.220   6.061   2.872
  231    HA   ASP  86           HA       ASP  86   6.589   6.195   1.556
  232    HB2  ASP  86           HB2      ASP  86   6.181   5.934   3.927
  233    HB3  ASP  86           HB3      ASP  86   7.400   7.168   4.288
  234    H1   HOH 201           H1       HOH 185   9.457   9.658   2.376
  235    H2   HOH 201           H2       HOH 185   9.096  11.112   2.612
  236    H1   HOH 202           H1       HOH 161   2.200   8.676   2.193
  237    H2   HOH 202           H2       HOH 161   2.858   7.722   3.165
  238    H1   HOH 203           H1       HOH 160   6.366  10.286   2.622
  239    H2   HOH 203           H2       HOH 160   6.831   9.958   1.219
  240    H1   HOH 204           H1       HOH 166   7.037   9.415   4.915
  241    H2   HOH 204           H2       HOH 166   7.036   9.812   6.376
  242    H1   HOH 205           H1       HOH  34   4.332  -8.973  -7.539
  243    H2   HOH 205           H2       HOH  34   5.058 -10.231  -7.113
  244    H1   HOH 206           H1       HOH  14 -10.742   0.779   6.695
  245    H2   HOH 206           H2       HOH  14 -11.860   0.507   7.680
  246    H1   HOH 207           H1       HOH 145   1.557   1.661 -14.323
  247    H2   HOH 207           H2       HOH 145   1.020   2.028 -12.957
  248    H1   HOH 208           H1       HOH 153   4.830   9.120  -0.873
  249    H2   HOH 208           H2       HOH 153   6.238   8.577  -0.769
  250    H1   HOH 209           H1       HOH 122  -2.914  -1.914 -12.131
  251    H2   HOH 209           H2       HOH 122  -3.695  -1.084 -11.134
  252    H1   HOH 210           H1       HOH  77  -5.835  -0.653   9.128
  253    H2   HOH 210           H2       HOH  77  -6.488  -0.294  10.444
  254    H1   HOH 211           H1       HOH 162  -9.921   1.550  -1.093
  255    H2   HOH 211           H2       HOH 162  -9.738   2.903  -1.751
  256    H1   HOH 212           H1       HOH 165   3.290   7.313   5.243
  257    H2   HOH 212           H2       HOH 165   1.897   7.767   4.877
  258    H1   HOH 213           H1       HOH 103  12.388  -0.672   4.826
  259    H2   HOH 213           H2       HOH 103  12.108   0.096   3.553
  260    H1   HOH 214           H1       HOH  15  -8.239  -2.574   8.019
  261    H2   HOH 214           H2       HOH  15  -7.569  -2.852   6.692
  262    H1   HOH 215           H1       HOH  35   0.094  -9.100  -6.277
  263    H2   HOH 215           H2       HOH  35  -0.003  -9.778  -4.931
  264    H1   HOH 216           H1       HOH  80   0.164  -5.713   7.738
  265    H2   HOH 216           H2       HOH  80  -0.439  -5.378   6.398
  266    H1   HOH 217           H1       HOH 136  -5.645  -3.102  -9.708
  267    H2   HOH 217           H2       HOH 136  -6.017  -2.962 -11.168
  268    H1   HOH 218           H1       HOH  68   2.313  -3.400   7.985
  269    H2   HOH 218           H2       HOH  68   0.995  -3.523   7.257
  270    H1   HOH 219           H1       HOH  23   4.374  -8.667  -5.425
  271    H2   HOH 219           H2       HOH  23   2.890  -8.388  -5.367
  272    H1   HOH 220           H1       HOH  89  13.138  -5.269  -5.046
  273    H2   HOH 220           H2       HOH  89  14.622  -4.955  -4.979
  274    H1   HOH 221           H1       HOH  13 -10.471  -9.994   0.015
  275    H2   HOH 221           H2       HOH  13 -11.553 -10.190   1.054
  276    H1   HOH 222           H1       HOH  48  -1.512  -6.625   1.292
  277    H2   HOH 222           H2       HOH  48  -0.612  -5.631   1.994
  278    H1   HOH 223           H1       HOH  43  -4.007 -12.856 -11.116
  279    H2   HOH 223           H2       HOH  43  -2.833 -11.902 -11.250
  280    H1   HOH 224           H1       HOH 140   0.484   3.885 -10.809
  281    H2   HOH 224           H2       HOH 140   0.467   5.209 -11.538
  282    H1   HOH 225           H1       HOH  55 -10.616 -10.000  -6.157
  283    H2   HOH 225           H2       HOH  55 -10.745 -10.436  -4.713
  284    H1   HOH 226           H1       HOH   4 -17.270  -7.273   1.164
  285    H2   HOH 226           H2       HOH   4 -16.527  -6.666   2.336
  286    H1   HOH 227           H1       HOH  62   4.478  -1.811   6.233
  287    H2   HOH 227           H2       HOH  62   3.329  -2.786   6.110
  288    H1   HOH 228           H1       HOH 150  -6.135   9.813   5.366
  289    H2   HOH 228           H2       HOH 150  -6.867   8.871   6.301
  290    H1   HOH 229           H1       HOH 113 -17.299  -4.669  -2.365
  291    H2   HOH 229           H2       HOH 113 -17.271  -3.214  -1.937
  292    H1   HOH 230           H1       HOH   8 -17.085  -4.776   3.516
  293    H2   HOH 230           H2       HOH   8 -18.139  -3.701   3.678
  294    H1   HOH 231           H1       HOH  41  -4.299  -7.878  -0.608
  295    H2   HOH 231           H2       HOH  41  -3.001  -7.578   0.111
  296    H1   HOH 232           H1       HOH  29   0.923 -12.856  -7.253
  297    H2   HOH 232           H2       HOH  29   0.444 -14.217  -7.720
  298    H1   HOH 233           H1       HOH  79   8.223  -3.302   4.639
  299    H2   HOH 233           H2       HOH  79   8.458  -4.307   3.527
  300    H1   HOH 234           H1       HOH  63   9.877   1.042   6.006
  301    H2   HOH 234           H2       HOH  63   8.731   0.675   5.090
  302    H1   HOH 235           H1       HOH  39  -1.123 -14.631  -5.381
  303    H2   HOH 235           H2       HOH  39  -2.606 -14.936  -5.480
  304    H1   HOH 236           H1       HOH 182  11.862  12.350  -0.507
  305    H2   HOH 236           H2       HOH 182  10.847  11.272  -0.824
  306    H1   HOH 237           H1       HOH 102  13.465  -2.136   3.000
  307    H2   HOH 237           H2       HOH 102  14.834  -2.649   2.599
  308    H1   HOH 238           H1       HOH  97  17.296  -3.639  -2.558
  309    H2   HOH 238           H2       HOH  97  17.050  -5.044  -2.041
  310    H1   HOH 239           H1       HOH 176  10.396  -0.967  -7.445
  311    H2   HOH 239           H2       HOH 176  10.344  -1.551  -6.047
  312    H1   HOH 240           H1       HOH 175   7.600  -3.938 -12.610
  313    H2   HOH 240           H2       HOH 175   7.094  -5.329 -12.932
  314    H1   HOH 241           H1       HOH 139   3.067   1.200 -11.725
  315    H2   HOH 241           H2       HOH 139   3.255   0.259 -10.567
  316    H1   HOH 242           H1       HOH 167  -7.716   6.782   7.437
  317    H2   HOH 242           H2       HOH 167  -6.282   7.003   7.881
  318    H1   HOH 243           H1       HOH  25   1.883 -10.572  -7.654
  319    H2   HOH 243           H2       HOH  25   2.283 -11.405  -8.847
  320    H1   HOH 244           H1       HOH  85  12.391  -6.946  -9.999
  321    H2   HOH 244           H2       HOH  85  12.080  -7.514  -8.627
  322    H1   HOH 245           H1       HOH 118 -12.231   2.535   1.433
  323    H2   HOH 245           H2       HOH 118 -11.468   2.107   0.193
  324    H1   HOH 246           H1       HOH   7 -14.588 -10.458  -1.331
  325    H2   HOH 246           H2       HOH   7 -13.454  -9.966  -0.455
  326    H1   HOH 247           H1       HOH  69   1.844  -4.106   5.356
  327    H2   HOH 247           H2       HOH  69   2.689  -5.351   5.205
  328    H1   HOH 248           H1       HOH 120 -11.557   8.681   1.803
  329    H2   HOH 248           H2       HOH 120 -10.052   8.573   1.680
  330    H1   HOH 249           H1       HOH 144   3.083  -3.529 -11.511
  331    H2   HOH 249           H2       HOH 144   2.817  -4.221 -12.830
  332    H1   HOH 250           H1       HOH  76   3.888  -6.085   6.985
  333    H2   HOH 250           H2       HOH  76   5.056  -6.154   6.021
  334    H1   HOH 251           H1       HOH 187  13.877   8.898   2.181
  335    H2   HOH 251           H2       HOH 187  13.186   9.083   3.517
  336    H1   HOH 252           H1       HOH  61   2.449  -2.572  10.330
  337    H2   HOH 252           H2       HOH  61   1.393  -3.521   9.794
  338    H1   HOH 253           H1       HOH  45   6.614  -8.336  -7.064
  339    H2   HOH 253           H2       HOH  45   6.999  -6.912  -6.719
  340    H1   HOH 254           H1       HOH  64   7.282  -6.721   5.204
  341    H2   HOH 254           H2       HOH  64   7.239  -5.217   5.370
  342    H1   HOH 255           H1       HOH  16 -12.977  -1.654   5.696
  343    H2   HOH 255           H2       HOH  16 -11.559  -1.149   5.499
  344    H1   HOH 256           H1       HOH 179  14.227  10.732   0.765
  345    H2   HOH 256           H2       HOH 179  14.606   9.557  -0.110
  346    H1   HOH 257           H1       HOH 169  -7.914   9.636   1.548
  347    H2   HOH 257           H2       HOH 169  -7.916   8.426   0.632
  348    H1   HOH 258           H1       HOH 134  -7.609  -6.043  -9.508
  349    H2   HOH 258           H2       HOH 134  -6.567  -5.013  -9.894
  350    H1   HOH 259           H1       HOH  82  -2.150   1.917   9.940
  351    H2   HOH 259           H2       HOH  82  -1.501   2.440  11.203
  352    H1   HOH 260           H1       HOH 152   3.858  10.222   2.665
  353    H2   HOH 260           H2       HOH 152   4.659  10.614   1.446
  354    H1   HOH 261           H1       HOH 107 -17.690  -0.562   1.071
  355    H2   HOH 261           H2       HOH 107 -18.517  -1.805   0.826
  356    H1   HOH 262           H1       HOH 129  -5.315  -6.849 -10.209
  357    H2   HOH 262           H2       HOH 129  -4.995  -8.279 -10.586
  358    H1   HOH 263           H1       HOH  40  -0.396 -15.319  -9.964
  359    H2   HOH 263           H2       HOH  40  -0.352 -16.319  -8.829
  360    H1   HOH 264           H1       HOH   1 -14.105 -11.012  -5.517
  361    H2   HOH 264           H2       HOH   1 -15.578 -10.796  -5.243
  362    H1   HOH 265           H1       HOH 121  -8.834   5.129   6.548
  363    H2   HOH 265           H2       HOH 121  -9.543   4.940   7.872
  364    H1   HOH 266           H1       HOH 158  -6.576   6.923  -0.994
  365    H2   HOH 266           H2       HOH 158  -6.106   6.924   0.449
  366    H1   HOH 267           H1       HOH  75  -3.913  -8.056   4.260
  367    H2   HOH 267           H2       HOH  75  -4.988  -7.008   4.472
  368    H1   HOH 268           H1       HOH 108 -14.204  -2.288  -2.000
  369    H2   HOH 268           H2       HOH 108 -14.315  -3.306  -3.114
  370    H1   HOH 269           H1       HOH 170   9.338   9.112   5.363
  371    H2   HOH 269           H2       HOH 170  10.159   9.632   4.204
  372    H1   HOH 270           H1       HOH  99  17.569  -6.662  -0.262
  373    H2   HOH 270           H2       HOH  99  17.258  -5.293   0.307
  374    H1   HOH 271           H1       HOH  49  -9.391 -11.983  -3.388
  375    H2   HOH 271           H2       HOH  49 -10.797 -11.862  -2.839
  376    H1   HOH 272           H1       HOH 116 -11.600   6.515   4.695
  377    H2   HOH 272           H2       HOH 116 -11.471   6.924   3.241
  378    H1   HOH 273           H1       HOH 147  -8.257  11.546   3.331
  379    H2   HOH 273           H2       HOH 147  -7.580  10.411   4.071
  380    H1   HOH 274           H1       HOH 115 -10.483   6.711   6.727
  381    H2   HOH 274           H2       HOH 115 -11.569   7.744   6.952
  382    H1   HOH 275           H1       HOH   2 -13.606  -9.703   1.991
  383    H2   HOH 275           H2       HOH   2 -12.948  -8.496   1.357
  384    H1   HOH 276           H1       HOH 128  -3.771   1.330 -10.658
  385    H2   HOH 276           H2       HOH 128  -4.860   0.540  -9.959
  386    H1   HOH 277           H1       HOH 178   8.898  10.802  -2.110
  387    H2   HOH 277           H2       HOH 178   8.423  10.837  -0.673
  388    H1   HOH 278           H1       HOH 131 -10.925  -1.115  -6.075
  389    H2   HOH 278           H2       HOH 131 -10.120   0.003  -5.447
  390    H1   HOH 279           H1       HOH 183   8.826  -0.818  -4.664
  391    H2   HOH 279           H2       HOH 183  10.087  -0.099  -4.235
  392    H1   HOH 280           H1       HOH  94  17.538  -1.587  -2.940
  393    H2   HOH 280           H2       HOH  94  18.604  -1.569  -1.863
  394    H1   HOH 281           H1       HOH 159  -4.065   5.907   1.607
  395    H2   HOH 281           H2       HOH 159  -4.708   7.159   2.160
  396    H1   HOH 282           H1       HOH  33  -7.188 -11.115 -10.791
  397    H2   HOH 282           H2       HOH  33  -6.134 -12.192 -10.646
  398    H1   HOH 283           H1       HOH 198  12.160   7.283   3.687
  399    H2   HOH 283           H2       HOH 198  10.943   7.468   4.568
  400    H1   HOH 284           H1       HOH 104  12.484   4.080   4.619
  401    H2   HOH 284           H2       HOH 104  11.489   5.195   4.848
  402    H1   HOH 285           H1       HOH  86   9.531  -8.917  -5.356
  403    H2   HOH 285           H2       HOH  86   9.001  -8.105  -6.517
  404    H1   HOH 286           H1       HOH 117 -12.722   3.483   5.489
  405    H2   HOH 286           H2       HOH 117 -12.029   2.173   5.800
  406    H1   HOH 287           H1       HOH  59   6.338  -5.607  -5.108
  407    H2   HOH 287           H2       HOH  59   5.401  -5.017  -6.142
  408    H1   HOH 288           H1       HOH   5 -12.552 -11.707  -1.572
  409    H2   HOH 288           H2       HOH   5 -12.644 -13.201  -1.805
  410    H1   HOH 289           H1       HOH 106 -17.217  -1.337  -1.157
  411    H2   HOH 289           H2       HOH 106 -16.019  -1.042  -2.039
  412    H1   HOH 290           H1       HOH  67   6.107  -7.866   1.683
  413    H2   HOH 290           H2       HOH  67   5.085  -8.513   2.593
  414    H1   HOH 291           H1       HOH  52  -3.924 -16.864  -6.088
  415    H2   HOH 291           H2       HOH  52  -4.678 -15.701  -6.699
  416    H1   HOH 292           H1       HOH 142  -2.222  -7.290 -12.522
  417    H2   HOH 292           H2       HOH 142  -3.080  -7.732 -11.357
  418    H1   HOH 293           H1       HOH  56  -6.798 -12.354  -8.628
  419    H2   HOH 293           H2       HOH  56  -6.995 -12.382  -7.123
  420    H1   HOH 294           H1       HOH  91  11.124  -6.807  -5.661
  421    H2   HOH 294           H2       HOH  91  12.440  -7.076  -6.355
  422    H1   HOH 295           H1       HOH  28  -4.644 -12.780  -3.185
  423    H2   HOH 295           H2       HOH  28  -4.667 -13.648  -4.423
  424    H1   HOH 296           H1       HOH 125  -6.904   1.287  -8.730
  425    H2   HOH 296           H2       HOH 125  -6.782  -0.222  -8.765
  426    H1   HOH 297           H1       HOH  92  14.705   1.089   2.220
  427    H2   HOH 297           H2       HOH  92  14.163  -0.048   3.061
  428    H1   HOH 298           H1       HOH 100  17.759  -4.672   2.550
  429    H2   HOH 298           H2       HOH 100  17.018  -3.504   1.936
  430    H1   HOH 299           H1       HOH 171  10.599  -2.711 -13.059
  431    H2   HOH 299           H2       HOH 171   9.257  -2.237 -12.544
  432    H1   HOH 300           H1       HOH 146   4.559  -2.297 -12.479
  433    H2   HOH 300           H2       HOH 146   4.657  -0.822 -12.144
  434    H1   HOH 301           H1       HOH 199   9.379   1.400  -5.571
  435    H2   HOH 301           H2       HOH 199   9.175   0.996  -7.019
  436    H1   HOH 302           H1       HOH 174  10.943  -1.377 -11.004
  437    H2   HOH 302           H2       HOH 174  12.273  -1.313 -10.280
  438    H1   HOH 303           H1       HOH   9 -15.414  -6.223   4.401
  439    H2   HOH 303           H2       HOH   9 -16.721  -6.858   4.824
  440    H1   HOH 304           H1       HOH 188  14.710  10.082  -2.431
  441    H2   HOH 304           H2       HOH 188  14.418   8.597  -2.386
  442    H1   HOH 305           H1       HOH 157  -3.073   8.384   3.333
  443    H2   HOH 305           H2       HOH 157  -4.299   9.244   3.568
  444    H1   HOH 306           H1       HOH  12 -12.599  -6.261   2.607
  445    H2   HOH 306           H2       HOH  12 -11.754  -7.507   2.719
  446    H1   HOH 307           H1       HOH  74  10.796   3.143   6.028
  447    H2   HOH 307           H2       HOH  74  10.126   3.121   7.385
  448    H1   HOH 308           H1       HOH 193  10.096   2.487  -3.753
  449    H2   HOH 308           H2       HOH 193  11.409   1.817  -4.102
  450    H1   HOH 309           H1       HOH 173   7.624  -1.800 -14.098
  451    H2   HOH 309           H2       HOH 173   6.767  -2.004 -12.866
  452    H1   HOH 310           H1       HOH 132 -10.468  -0.995  -8.213
  453    H2   HOH 310           H2       HOH 132 -11.020  -2.404  -8.284
  454    H1   HOH 311           H1       HOH  65   9.102  -2.453   6.731
  455    H2   HOH 311           H2       HOH  65   9.227  -1.412   5.640
  456    H1   HOH 312           H1       HOH  17 -10.664   2.679   7.970
  457    H2   HOH 312           H2       HOH  17  -9.957   3.001   9.270
  458    H1   HOH 313           H1       HOH 138  -2.217   2.362 -13.776
  459    H2   HOH 313           H2       HOH 138  -0.948   1.538 -13.749
  460    H1   HOH 314           H1       HOH 123  -1.050  -1.329 -13.861
  461    H2   HOH 314           H2       HOH 123  -2.041  -0.265 -13.442
  462    H1   HOH 315           H1       HOH 164  -1.010   6.231  -4.112
  463    H2   HOH 315           H2       HOH 164  -1.480   6.510  -2.701
  464    H1   HOH 316           H1       HOH 124  -2.142  -9.738 -12.063
  465    H2   HOH 316           H2       HOH 124  -1.217 -10.758 -12.691
  466    H1   HOH 317           H1       HOH  60   7.167  -5.907  -2.725
  467    H2   HOH 317           H2       HOH  60   5.863  -6.599  -3.067
  468    H1   HOH 318           H1       HOH 126  -9.699  -6.999  -9.878
  469    H2   HOH 318           H2       HOH 126 -10.142  -6.216  -8.660
  470    H1   HOH 319           H1       HOH  21  -6.252 -11.956  -5.083
  471    H2   HOH 319           H2       HOH  21  -7.750 -11.848  -4.924
  472    H1   HOH 320           H1       HOH  18  -9.872  -3.815   6.606
  473    H2   HOH 320           H2       HOH  18 -11.262  -3.345   6.236
  474    H1   HOH 321           H1       HOH  78  -1.179  -8.016   4.522
  475    H2   HOH 321           H2       HOH  78  -0.281  -7.162   5.398
  476    H1   HOH 322           H1       HOH  71   1.428  -5.435   3.350
  477    H2   HOH 322           H2       HOH  71   0.469  -6.606   3.367
  478    H1   HOH 323           H1       HOH  90  11.358  -8.734  -6.966
  479    H2   HOH 323           H2       HOH  90  12.553  -9.613  -7.276
  480    H1   HOH 324           H1       HOH  93  16.012  -1.060   2.395
  481    H2   HOH 324           H2       HOH  93  17.443  -1.449   2.698
  482    H1   HOH 325           H1       HOH  88  11.465  -7.668  -0.747
  483    H2   HOH 325           H2       HOH  88  11.519  -6.575  -1.792
  484    H1   HOH 326           H1       HOH 119 -12.197   4.704   2.865
  485    H2   HOH 326           H2       HOH 119 -12.407   3.316   3.433
  486    H1   HOH 327           H1       HOH  11 -10.540  -7.699   4.979
  487    H2   HOH 327           H2       HOH  11 -10.465  -8.843   3.985
  488    H1   HOH 328           H1       HOH  50  -2.919  -9.690   3.157
  489    H2   HOH 328           H2       HOH  50  -2.203  -8.588   2.405
  490    H1   HOH 329           H1       HOH  51  -1.551  -9.265   0.282
  491    H2   HOH 329           H2       HOH  51  -0.449  -8.404   0.867
  492    H1   HOH 330           H1       HOH 155  -3.327   5.522  -4.013
  493    H2   HOH 330           H2       HOH 155  -3.941   5.117  -5.335
  494    H1   HOH 331           H1       HOH 110 -13.966   0.265  -1.395
  495    H2   HOH 331           H2       HOH 110 -13.957  -0.334  -2.786
  496    H1   HOH 332           H1       HOH   3 -10.192 -12.208   0.659
  497    H2   HOH 332           H2       HOH   3 -10.713 -13.078  -0.462
  498    H1   HOH 333           H1       HOH  83   7.349  -7.814   3.461
  499    H2   HOH 333           H2       HOH  83   8.435  -8.589   4.176
  500    H1   HOH 334           H1       HOH 192   8.610   3.150  -6.398
  501    H2   HOH 334           H2       HOH 192   8.232   4.493  -6.990
  502    H1   HOH 335           H1       HOH 148  -1.790   5.724   2.375
  503    H2   HOH 335           H2       HOH 148  -2.490   4.403   2.622
  504    H1   HOH 336           H1       HOH  87  17.054  -5.897  -5.527
  505    H2   HOH 336           H2       HOH  87  16.535  -5.041  -4.389
  506    H1   HOH 337           H1       HOH 177  14.170  -2.575  -9.462
  507    H2   HOH 337           H2       HOH 177  14.614  -1.978 -10.781
  508    H1   HOH 338           H1       HOH 196   7.900   9.363  -3.630
  509    H2   HOH 338           H2       HOH 196   8.985  10.096  -4.395
  510    H1   HOH 339           H1       HOH 180  14.808   6.781  -2.749
  511    H2   HOH 339           H2       HOH 180  13.539   6.205  -3.342
  512    H1   HOH 340           H1       HOH 149  -4.515  11.649   4.240
  513    H2   HOH 340           H2       HOH 149  -5.709  10.975   3.597
  514    H1   HOH 341           H1       HOH 168   3.631   5.147  -7.938
  515    H2   HOH 341           H2       HOH 168   4.023   6.408  -7.193
  516    H1   HOH 342           H1       HOH  38  -5.740 -13.887 -12.528
  517    H2   HOH 342           H2       HOH  38  -5.747 -14.328 -11.079
  518    H1   HOH 343           H1       HOH 101   9.054  -6.410   3.160
  519    H2   HOH 343           H2       HOH 101  10.387  -5.719   2.973
  520    H1   HOH 344           H1       HOH  70   0.019  -9.040   7.990
  521    H2   HOH 344           H2       HOH  70  -0.458  -7.752   7.351
  522    H1   HOH 345           H1       HOH  98  16.956  -1.573  -5.141
  523    H2   HOH 345           H2       HOH  98  16.744  -0.107  -4.829
  524    H1   HOH 346           H1       HOH  26  -7.085 -15.793  -6.975
  525    H2   HOH 346           H2       HOH  26  -6.478 -14.561  -7.611
  526    H1   HOH 347           H1       HOH 172   9.785   1.272  -8.994
  527    H2   HOH 347           H2       HOH 172  10.595  -0.002  -9.103
  528    H1   HOH 348           H1       HOH  73   1.745  -0.573  11.665
  529    H2   HOH 348           H2       HOH  73   3.000  -0.260  10.883
  530    H1   HOH 349           H1       HOH 154  -0.305   6.513   4.182
  531    H2   HOH 349           H2       HOH 154   0.306   7.134   2.946
  532    H1   HOH 350           H1       HOH 141  -2.266   4.190  -6.742
  533    H2   HOH 350           H2       HOH 141  -2.940   5.038  -7.794
  534    H1   HOH 351           H1       HOH 111 -19.156  -4.985  -1.495
  535    H2   HOH 351           H2       HOH 111 -20.623  -5.341  -1.634
  536    H1   HOH 352           H1       HOH   6  -9.664 -10.441   2.504
  537    H2   HOH 352           H2       HOH   6  -8.815 -10.685   3.737
  538    H1   HOH 353           H1       HOH 112 -18.504  -6.007  -3.085
  539    H2   HOH 353           H2       HOH 112 -17.988  -6.338  -4.469
  540    H1   HOH 354           H1       HOH  53   7.170  -7.121  -0.102
  541    H2   HOH 354           H2       HOH  53   6.007  -7.720  -0.872
  542    H1   HOH 355           H1       HOH 109 -12.395  -0.531  -4.578
  543    H2   HOH 355           H2       HOH 109 -13.489   0.461  -4.907
  544    H1   HOH 356           H1       HOH 114 -14.368  -4.272  -6.269
  545    H2   HOH 356           H2       HOH 114 -15.035  -4.980  -7.431
  546    H1   HOH 357           H1       HOH  30  -6.302 -16.686 -10.356
  547    H2   HOH 357           H2       HOH  30  -6.068 -15.704  -9.226
  548    H1   HOH 358           H1       HOH  81  -7.787  -7.305   8.926
  549    H2   HOH 358           H2       HOH  81  -7.180  -6.204   8.084
  550    H1   HOH 359           H1       HOH  20 -10.189  -5.863   6.378
  551    H2   HOH 359           H2       HOH  20  -9.206  -6.886   6.911
  552    H1   HOH 360           H1       HOH  96  15.738   2.339  -2.519
  553    H2   HOH 360           H2       HOH  96  15.967   0.843  -2.573
  554    H1   HOH 361           H1       HOH 143 -12.586  -5.621  -7.470
  555    H2   HOH 361           H2       HOH 143 -11.568  -4.877  -8.308
  556    H1   HOH 362           H1       HOH 133  -1.456   5.004  -9.867
  557    H2   HOH 362           H2       HOH 133  -2.465   6.127  -9.944
  558    H1   HOH 363           H1       HOH  10 -12.017  -5.051   5.112
  559    H2   HOH 363           H2       HOH  10 -12.076  -6.484   4.626
  560    H1   HOH 364           H1       HOH 127 -10.049  -4.348  -9.631
  561    H2   HOH 364           H2       HOH 127 -10.990  -3.470 -10.428
  562    H1   HOH 365           H1       HOH  84   8.900  -5.837   0.931
  563    H2   HOH 365           H2       HOH  84   9.471  -6.344  -0.378
  564    H1   HOH 366           H1       HOH  57  -7.019 -13.052  -3.366
  565    H2   HOH 366           H2       HOH  57  -8.228 -13.840  -2.905
  566    H1   HOH 367           H1       HOH  19 -15.385  -0.844   5.718
  567    H2   HOH 367           H2       HOH  19 -15.087  -2.265   6.144
  568    H1   HOH 368           H1       HOH 130  -9.083   0.950  -8.767
  569    H2   HOH 368           H2       HOH 130  -9.308   0.120 -10.011
  570    H1   HOH 369           H1       HOH 184  13.863   1.854  -3.700
  571    H2   HOH 369           H2       HOH 184  13.421   1.844  -5.148
  572    H1   HOH 370           H1       HOH  47   4.216  -8.294  -1.762
  573    H2   HOH 370           H2       HOH  47   4.454  -8.043  -3.236
  574    H1   HOH 371           H1       HOH  95  14.818   6.590   2.861
  575    H2   HOH 371           H2       HOH  95  15.693   5.713   3.730
  576    H1   HOH 372           H1       HOH  27   3.769  -9.492   0.891
  577    H2   HOH 372           H2       HOH  27   3.874 -10.489   2.027
  578    H1   HOH 373           H1       HOH 197   6.954   5.211  -8.992
  579    H2   HOH 373           H2       HOH 197   6.095   5.234  -7.747
  580    H1   HOH 374           H1       HOH 190  12.744   7.699  -4.393
  581    H2   HOH 374           H2       HOH 190  11.717   6.977  -5.243
  582    H1   HOH 375           H1       HOH 186  16.488   6.226  -0.874
  583    H2   HOH 375           H2       HOH 186  16.402   7.557  -1.592
  584    H1   HOH 376           H1       HOH  46  -4.448 -10.573   6.001
  585    H2   HOH 376           H2       HOH  46  -5.161  -9.558   5.139
  586    H1   HOH 377           H1       HOH  44  -2.196 -11.409  -0.031
  587    H2   HOH 377           H2       HOH  44  -1.192 -11.294  -1.155
  588    H1   HOH 378           H1       HOH 156  -5.382   5.933  -3.250
  589    H2   HOH 378           H2       HOH 156  -5.975   7.316  -3.099
  590    H1   HOH 379           H1       HOH  37   1.242  -7.381   1.697
  591    H2   HOH 379           H2       HOH  37   1.968  -8.710   1.746
  592    H1   HOH 380           H1       HOH 163   4.892   9.132  -3.709
  593    H2   HOH 380           H2       HOH 163   5.346  10.054  -4.821
  594    H1   HOH 381           H1       HOH 105 -14.277  -2.129  -4.996
  595    H2   HOH 381           H2       HOH 105 -15.691  -2.651  -4.856
  596    H1   HOH 382           H1       HOH 195  12.178   4.933  -4.579
  597    H2   HOH 382           H2       HOH 195  12.925   3.811  -3.885
  598    H1   HOH 383           H1       HOH  36   2.443  -9.642  -1.435
  599    H2   HOH 383           H2       HOH  36   2.261  -8.710  -0.255
  600    H1   HOH 384           H1       HOH  42  -4.165 -11.216   3.874
  601    H2   HOH 384           H2       HOH  42  -4.594 -11.232   2.423
  602    H1   HOH 385           H1       HOH  72  -2.296  -9.402   7.210
  603    H2   HOH 385           H2       HOH  72  -3.546  -8.707   6.715
  604    H1   HOH 386           H1       HOH 191  10.358   4.912  -6.015
  605    H2   HOH 386           H2       HOH 191  11.428   5.541  -6.881
  606    H1   HOH 387           H1       HOH 189  10.298   9.813  -6.577
  607    H2   HOH 387           H2       HOH 189  10.785   9.027  -5.377
  608    H1   HOH 388           H1       HOH 194  17.787   5.281   0.962
  609    H2   HOH 388           H2       HOH 194  16.330   5.448   1.341
  610    H1   HOH 389           H1       HOH 151   2.683   8.518  -6.705
  611    H2   HOH 389           H2       HOH 151   3.870   8.278  -5.798
  612    H1   HOH 390           H1       HOH 135  -8.255   2.936  -7.571
  613    H2   HOH 390           H2       HOH 135  -8.141   3.178  -9.062
  614    H1   HOH 391           H1       HOH  66   4.237   2.180   8.919
  615    H2   HOH 391           H2       HOH  66   4.567   2.378  10.382
  616    H1   HOH 392           H1       HOH  54  -7.898 -11.771   5.538
  617    H2   HOH 392           H2       HOH  54  -6.636 -11.268   4.869
  618    H1   HOH 393           H1       HOH 137  -7.387   4.359  -5.856
  619    H2   HOH 393           H2       HOH 137  -8.850   4.729  -5.971
  620    H1   HOH 394           H1       HOH  22  -8.747 -14.167   0.492
  621    H2   HOH 394           H2       HOH  22  -7.854 -15.061   1.333
  622    H1   HOH 395           H1       HOH  58  -8.236 -15.147  -1.220
  623    H2   HOH 395           H2       HOH  58  -8.734 -16.256  -2.125
  624    H1   HOH 396           H1       HOH  24  -3.101 -12.351   1.627
  625    H2   HOH 396           H2       HOH  24  -3.790 -13.407   0.788
  626    H1   HOH 397           H1       HOH 181  16.293   4.572  -2.223
  627    H2   HOH 397           H2       HOH 181  16.528   4.025  -0.833
  628    H1   HOH 398           H1       HOH  31  -5.512 -14.813   1.841
  629    H2   HOH 398           H2       HOH  31  -6.063 -14.335   0.519
  630    H1   HOH 399           H1       HOH  32  -6.928 -16.676   3.011
  631    H2   HOH 399           H2       HOH  32  -7.210 -15.393   3.762
  Start of MODEL    7
    1    HA   PRO  62           HA       PRO  62  -9.959  -6.454  -4.312
    2    HB2  PRO  62           HB2      PRO  62 -12.120  -6.292  -2.278
    3    HB3  PRO  62           HB3      PRO  62 -11.599  -5.070  -3.478
    4    HG2  PRO  62           HG2      PRO  62 -13.970  -6.418  -3.751
    5    HG3  PRO  62           HG3      PRO  62 -12.949  -6.055  -5.186
    6    HD2  PRO  62           HD2      PRO  62 -12.948  -8.571  -3.488
    7    HD3  PRO  62           HD3      PRO  62 -13.192  -8.459  -5.251
    8    H    PHE  63           H        PHE  63  -9.221  -5.720  -2.105
    9    HA   PHE  63           HA       PHE  63  -9.326  -7.623   0.086
   10    HB2  PHE  63           HB2      PHE  63  -7.323  -8.268  -1.495
   11    HB3  PHE  63           HB3      PHE  63  -6.533  -6.857  -0.816
   12    HD1  PHE  63           HD1      PHE  63  -8.371 -10.002   0.139
   13    HD2  PHE  63           HD2      PHE  63  -5.311  -7.167   1.241
   14    HE1  PHE  63           HE1      PHE  63  -7.780 -11.397   2.102
   15    HE2  PHE  63           HE2      PHE  63  -4.758  -8.543   3.234
   16    HZ   PHE  63           HZ       PHE  63  -5.974 -10.670   3.651
   17    H    ALA  64           H        ALA  64  -7.286  -6.383   1.701
   18    HA   ALA  64           HA       ALA  64  -7.931  -3.485   1.705
   19    HB1  ALA  64           HB1      ALA  64  -8.341  -5.331   4.107
   20    HB2  ALA  64           HB2      ALA  64  -8.526  -3.558   4.096
   21    HB3  ALA  64           HB3      ALA  64  -9.629  -4.571   3.136
   22    H    CYS  65           H        CYS  65  -6.629  -2.275   3.318
   23    HA   CYS  65           HA       CYS  65  -3.863  -3.363   3.735
   24    HB2  CYS  65           HB2      CYS  65  -4.802  -0.477   3.727
   25    HB3  CYS  65           HB3      CYS  65  -3.126  -1.059   3.737
   26    H    ASP  66           H        ASP  66  -3.280  -3.664   5.837
   27    HA   ASP  66           HA       ASP  66  -4.795  -2.713   8.086
   28    HB2  ASP  66           HB2      ASP  66  -1.924  -3.670   7.853
   29    HB3  ASP  66           HB3      ASP  66  -2.758  -3.366   9.384
   30    H    ILE  67           H        ILE  67  -1.998  -1.337   6.383
   31    HA   ILE  67           HA       ILE  67  -1.517   0.770   8.242
   32    HB   ILE  67           HB       ILE  67  -0.750   0.471   5.324
   33   HG12  ILE  67          2HG1      ILE  67   0.248  -1.209   6.819
   34   HG13  ILE  67          3HG1      ILE  67   1.449  -0.134   6.133
   35   HG21  ILE  67          HG21      ILE  67   0.136   2.640   7.264
   36   HG22  ILE  67          HG22      ILE  67   0.999   2.240   5.769
   37   HG23  ILE  67          HG23      ILE  67  -0.663   2.845   5.694
   38   HD11  ILE  67          1HD1      ILE  67   1.598   1.101   8.292
   39   HD12  ILE  67          2HD1      ILE  67   0.388  -0.000   8.993
   40   HD13  ILE  67          3HD1      ILE  67   1.960  -0.620   8.470
   41    H    CYS  68           H        CYS  68  -3.703   0.719   5.447
   42    HA   CYS  68           HA       CYS  68  -4.454   3.558   5.896
   43    HB2  CYS  68           HB2      CYS  68  -5.159   1.559   3.712
   44    HB3  CYS  68           HB3      CYS  68  -5.887   3.143   3.870
   45    H    GLY  69           H        GLY  69  -5.620   0.353   6.707
   46    HA2  GLY  69           HA2      GLY  69  -7.497  -0.386   7.786
   47    HA3  GLY  69           HA3      GLY  69  -8.031   1.281   8.027
   48    H    ARG  70           H        ARG  70  -7.369   0.336   4.747
   49    HA   ARG  70           HA       ARG  70 -10.265   0.204   4.064
   50    HB2  ARG  70           HB2      ARG  70  -8.382   2.462   3.248
   51    HB3  ARG  70           HB3      ARG  70  -9.906   2.116   2.419
   52    HG2  ARG  70           HG2      ARG  70 -11.036   2.235   4.726
   53    HG3  ARG  70           HG3      ARG  70  -9.537   2.990   5.297
   54    HD2  ARG  70           HD2      ARG  70  -9.829   4.804   3.637
   55    HD3  ARG  70           HD3      ARG  70 -11.255   3.982   2.984
   56    HE   ARG  70           HE       ARG  70 -12.488   4.428   4.974
   57   HH11  ARG  70          1HH1      ARG  70 -13.010   5.757   6.678
   58   HH12  ARG  70          2HH1      ARG  70 -11.663   6.368   7.633
   59   HH21  ARG  70          1HH2      ARG  70  -9.228   5.618   5.428
   60   HH22  ARG  70          2HH2      ARG  70  -9.737   6.717   6.688
   61    H    LYS  71           H        LYS  71 -10.557   0.316   1.658
   62    HA   LYS  71           HA       LYS  71  -9.779  -2.382   0.940
   63    HB2  LYS  71           HB2      LYS  71 -11.600  -0.279  -0.300
   64    HB3  LYS  71           HB3      LYS  71 -11.390  -1.892  -0.993
   65    HG2  LYS  71           HG2      LYS  71 -12.311  -2.974   0.911
   66    HG3  LYS  71           HG3      LYS  71 -12.247  -1.512   1.911
   67    HD2  LYS  71           HD2      LYS  71 -14.531  -1.960   1.236
   68    HD3  LYS  71           HD3      LYS  71 -13.961  -0.447   0.510
   69    HE2  LYS  71           HE2      LYS  71 -13.448  -1.776  -1.614
   70    HE3  LYS  71           HE3      LYS  71 -14.224  -3.175  -0.837
   71    HZ1  LYS  71           HZ1      LYS  71 -15.473  -0.558  -1.459
   72    HZ2  LYS  71           HZ2      LYS  71 -15.808  -2.013  -2.185
   73    HZ3  LYS  71           HZ3      LYS  71 -16.231  -1.760  -0.602
   74    H    PHE  72           H        PHE  72  -9.000  -3.127  -1.054
   75    HA   PHE  72           HA       PHE  72  -8.250  -1.214  -3.123
   76    HB2  PHE  72           HB2      PHE  72  -6.218  -1.671  -1.450
   77    HB3  PHE  72           HB3      PHE  72  -6.062  -3.152  -2.382
   78    HD1  PHE  72           HD1      PHE  72  -4.565  -3.007  -4.261
   79    HD2  PHE  72           HD2      PHE  72  -6.619   0.544  -2.893
   80    HE1  PHE  72           HE1      PHE  72  -3.321  -1.628  -5.897
   81    HE2  PHE  72           HE2      PHE  72  -5.390   1.890  -4.573
   82    HZ   PHE  72           HZ       PHE  72  -3.738   0.806  -6.082
   83    H    ALA  73           H        ALA  73  -7.478  -2.400  -5.165
   84    HA   ALA  73           HA       ALA  73  -9.466  -4.468  -5.709
   85    HB1  ALA  73           HB1      ALA  73  -9.176  -2.622  -7.250
   86    HB2  ALA  73           HB2      ALA  73  -7.468  -3.033  -7.505
   87    HB3  ALA  73           HB3      ALA  73  -8.747  -4.143  -8.051
   88    H    ARG  74           H        ARG  74  -6.261  -4.621  -7.157
   89    HA   ARG  74           HA       ARG  74  -5.298  -6.851  -5.572
   90    HB2  ARG  74           HB2      ARG  74  -6.760  -8.155  -7.038
   91    HB3  ARG  74           HB3      ARG  74  -6.090  -7.373  -8.475
   92    HG2  ARG  74           HG2      ARG  74  -3.849  -8.362  -7.944
   93    HG3  ARG  74           HG3      ARG  74  -4.551  -9.150  -6.521
   94    HD2  ARG  74           HD2      ARG  74  -6.026 -10.490  -7.975
   95    HD3  ARG  74           HD3      ARG  74  -5.446  -9.615  -9.399
   96    HE   ARG  74           HE       ARG  74  -3.298 -10.617  -9.213
   97   HH11  ARG  74          1HH1      ARG  74  -5.493 -12.245  -7.010
   98   HH12  ARG  74          2HH1      ARG  74  -4.161 -13.046  -6.198
   99   HH21  ARG  74          1HH2      ARG  74  -1.765 -12.018  -8.349
  100   HH22  ARG  74          2HH2      ARG  74  -2.250 -13.029  -7.000
  101    H    SER  75           H        SER  75  -4.801  -5.731  -8.895
  102    HA   SER  75           HA       SER  75  -3.261  -4.436  -9.911
  103    HB2  SER  75           HB2      SER  75  -2.849  -3.165  -7.224
  104    HB3  SER  75           HB3      SER  75  -2.698  -2.412  -8.820
  105    HG   SER  75           HG       SER  75  -4.924  -2.633  -9.109
  106    H    OUD  76           H        OUD  76  -1.770  -5.931 -10.545
  107    HA   OUD  76           HA       OUD  76   0.738  -6.161  -8.923
  108    HB3  OUD  76           HB3      OUD  76  -0.477  -8.290  -9.291
  109    HB2  OUD  76           HB2      OUD  76  -0.414  -8.037 -11.024
  110    HM3  OUD  76           HM3      OUD  76   2.073  -5.878 -10.892
  111    HM2  OUD  76           HM2      OUD  76   0.667  -5.987 -11.965
  112    HN2  OUD  76           HN2      OUD  76   0.395  -3.722 -11.764
  113    H    OUE  77           H        OUE  77   0.365  -1.729 -10.784
  114    HA   OUE  77           HA       OUE  77   2.082  -1.286  -8.477
  115    HB3  OUE  77           HB3      OUE  77   0.589   0.470 -10.473
  116    HB2  OUE  77           HB2      OUE  77   1.178   1.164  -8.979
  117    HG3  OUE  77           HG3      OUE  77   2.809   1.514 -10.757
  118    HG2  OUE  77           HG2      OUE  77   3.488   0.583  -9.457
  119    HM2  OUE  77           HM2      OUE  77  -0.891  -0.598  -8.321
  120    HM3  OUE  77           HM3      OUE  77   0.350  -0.016  -7.199
  121    HN2  OUE  77           HN2      OUE  77  -0.099  -2.941  -7.525
  122    H    OUK  78           H        OUK  78  -1.236  -3.988  -5.902
  123    HA   OUK  78           HA       OUK  78   0.415  -3.200  -3.565
  124    HB2  OUK  78           HB2      OUK  78  -0.415  -5.415  -2.544
  125    HB3  OUK  78           HB3      OUK  78  -1.639  -5.461  -3.802
  126    HG2  OUK  78           HG2      OUK  78  -2.459  -3.169  -2.937
  127    HG3  OUK  78           HG3      OUK  78  -1.329  -3.354  -1.606
  128    HD2  OUK  78           HD2      OUK  78  -2.511  -5.608  -1.070
  129    HD3  OUK  78           HD3      OUK  78  -3.699  -5.155  -2.284
  130    HE2  OUK  78           HE2      OUK  78  -4.799  -4.228  -0.465
  131    HE3  OUK  78           HE3      OUK  78  -3.737  -2.853  -0.812
  132    HZ3  OUK  78           HZ3      OUK  78  -3.568  -3.150   1.439
  133    HZ1  OUK  78           HZ1      OUK  78  -2.203  -4.019   0.938
  134    HZ2  OUK  78           HZ2      OUK  78  -3.607  -4.806   1.388
  135    HM3  OUK  78           HM3      OUK  78   1.614  -5.295  -3.939
  136    HM2  OUK  78           HM2      OUK  78   0.458  -5.783  -5.188
  137    HN2  OUK  78           HN2      OUK  78   1.410  -4.306  -6.721
  138    H    OUR  79           H        OUR  79   2.982  -3.150  -7.574
  139    HA   OUR  79           HA       OUR  79   5.432  -2.607  -6.025
  140    HB3  OUR  79           HB3      OUR  79   4.676  -2.211  -8.967
  141    HB2  OUR  79           HB2      OUR  79   6.261  -1.837  -8.310
  142    HG3  OUR  79           HG3      OUR  79   6.693  -4.194  -7.807
  143    HG2  OUR  79           HG2      OUR  79   5.040  -4.651  -8.230
  144    HD3  OUR  79           HD3      OUR  79   5.364  -3.976 -10.564
  145    HD2  OUR  79           HD2      OUR  79   6.977  -3.332 -10.197
  146    HE   OUR  79           HE       OUR  79   7.202  -5.883  -9.366
  147   HH12  OUR  79          2HH1      OUR  79   5.535  -5.413 -12.467
  148   HH11  OUR  79          1HH1      OUR  79   6.884  -5.775 -13.439
  149   HH22  OUR  79          2HH2      OUR  79   8.993  -6.723 -10.746
  150    HM2  OUR  79           HM2      OUR  79   4.205  -0.325  -7.607
  151    HM3  OUR  79           HM3      OUR  79   5.478  -0.259  -6.382
  152    HN2  OUR  79           HN2      OUR  79   2.801  -1.106  -5.527
  153   HH21  OUR  79          1HH2      OUR  79   8.787  -6.738 -12.439
  154    H    OUH  80           H        OUH  80   1.144   0.351  -5.288
  155    HA   OUH  80           HA       OUH  80   2.398   2.239  -3.388
  156    HB2  OUH  80           HB2      OUH  80   0.011   2.766  -4.754
  157    HB3  OUH  80           HB3      OUH  80   0.644   3.576  -3.345
  158    HD2  OUH  80           HD2      OUH  80  -0.399   3.022  -0.935
  159    HD1  OUH  80           HD1      OUH  80  -2.095   0.944  -4.198
  160    HE1  OUH  80           HE1      OUH  80  -3.533   0.636  -2.060
  161    HM2  OUH  80           HM2      OUH  80   0.454  -0.011  -2.724
  162    HM3  OUH  80           HM3      OUH  80   1.370   1.003  -1.592
  163    HN2  OUH  80           HN2      OUH  80   2.702  -0.814  -3.548
  164    H    OUK  81           H        OUK  81   4.157  -2.150  -2.813
  165    HA   OUK  81           HA       OUK  81   5.575  -1.189  -0.380
  166    HB2  OUK  81           HB2      OUK  81   6.875  -3.327  -0.416
  167    HB3  OUK  81           HB3      OUK  81   5.851  -3.929  -1.717
  168    HG2  OUK  81           HG2      OUK  81   3.839  -3.729  -0.162
  169    HG3  OUK  81           HG3      OUK  81   4.935  -3.221   1.127
  170    HD2  OUK  81           HD2      OUK  81   6.174  -5.419   0.885
  171    HD3  OUK  81           HD3      OUK  81   5.061  -5.881  -0.400
  172    HE2  OUK  81           HE2      OUK  81   4.226  -6.973   1.554
  173    HE3  OUK  81           HE3      OUK  81   3.140  -5.591   1.316
  174    HZ3  OUK  81           HZ3      OUK  81   4.461  -4.433   3.094
  175    HZ1  OUK  81           HZ1      OUK  81   5.323  -5.842   3.335
  176    HZ2  OUK  81           HZ2      OUK  81   3.670  -5.813   3.600
  177    HM3  OUK  81           HM3      OUK  81   7.618  -1.286  -1.710
  178    HM2  OUK  81           HM2      OUK  81   6.762  -2.049  -3.059
  179    HN2  OUK  81           HN2      OUK  81   5.829  -0.006  -3.683
  180    H    OUI  82           H        OUI  82   5.597   2.174  -3.737
  181    HA   OUI  82           HA       OUI  82   6.253   3.617  -1.199
  182    HB   OUI  82           HB       OUI  82   6.371   5.696  -2.514
  183   3HG1  OUI  82          3HG1      OUI  82   6.388   3.913  -5.015
  184   2HG1  OUI  82          2HG1      OUI  82   5.041   4.929  -4.532
  185   1HG2  OUI  82          1HG2      OUI  82   8.411   3.610  -3.445
  186   2HG2  OUI  82          2HG2      OUI  82   8.402   4.363  -1.842
  187   3HG2  OUI  82          3HG2      OUI  82   8.670   5.353  -3.269
  188   2HD1  OUI  82          2HD1      OUI  82   7.821   5.943  -5.315
  189   3HD1  OUI  82          3HD1      OUI  82   6.509   6.966  -4.700
  190   1HD1  OUI  82          1HD1      OUI  82   6.320   6.104  -6.235
  191    HM2  OUI  82           HM2      OUI  82   3.816   3.996  -2.993
  192    HM3  OUI  82           HM3      OUI  82   4.237   4.986  -1.582
  193    HN2  OUI  82           HN2      OUI  82   3.900   2.053  -1.340
  194    H    OUH  83           H        OUH  83   3.413   1.329   0.558
  195    HA   OUH  83           HA       OUH  83   2.696   3.190   2.742
  196    HB2  OUH  83           HB2      OUH  83   2.741   1.262   4.218
  197    HB3  OUH  83           HB3      OUH  83   3.391   0.235   2.957
  198    HD2  OUH  83           HD2      OUH  83   0.345   2.662   2.340
  199    HD1  OUH  83           HD1      OUH  83   1.296  -1.441   2.689
  200    HE1  OUH  83           HE1      OUH  83  -1.113  -1.125   1.795
  201    HM2  OUH  83           HM2      OUH  83   4.873   2.485   3.893
  202    HM3  OUH  83           HM3      OUH  83   5.008   3.621   2.549
  203    HN2  OUH  83           HN2      OUH  83   5.747   1.840   1.108
  204    H    ARG  84           H        ARG  84   7.745   1.223   0.863
  205    HA   ARG  84           HA       ARG  84   9.214   0.046   3.162
  206    HB2  ARG  84           HB2      ARG  84   9.393  -1.003   0.982
  207    HB3  ARG  84           HB3      ARG  84   9.955   0.509   0.238
  208    HG2  ARG  84           HG2      ARG  84  12.051   0.393   1.429
  209    HG3  ARG  84           HG3      ARG  84  11.470  -0.890   2.486
  210    HD2  ARG  84           HD2      ARG  84  13.029  -1.728   0.777
  211    HD3  ARG  84           HD3      ARG  84  11.408  -2.498   0.677
  212    HE   ARG  84           HE       ARG  84  10.954  -0.978  -1.234
  213   HH11  ARG  84          1HH1      ARG  84  13.234  -1.097  -3.776
  214   HH12  ARG  84          2HH1      ARG  84  11.596  -0.671  -3.370
  215   HH21  ARG  84          1HH2      ARG  84  14.566  -1.988  -2.405
  216   HH22  ARG  84          2HH2      ARG  84  14.238  -2.071  -0.687
  217    H    LYS  85           H        LYS  85   9.358   3.048   1.244
  218    HA   LYS  85           HA       LYS  85  10.507   4.454   3.478
  219    HB2  LYS  85           HB2      LYS  85  12.506   3.357   2.090
  220    HB3  LYS  85           HB3      LYS  85  12.191   4.689   0.971
  221    HG2  LYS  85           HG2      LYS  85  12.552   6.315   2.858
  222    HG3  LYS  85           HG3      LYS  85  12.742   4.952   3.949
  223    HD2  LYS  85           HD2      LYS  85  14.931   5.766   3.480
  224    HD3  LYS  85           HD3      LYS  85  14.755   4.223   2.652
  225    HE2  LYS  85           HE2      LYS  85  15.914   5.760   1.214
  226    HE3  LYS  85           HE3      LYS  85  14.326   5.411   0.510
  227    HZ1  LYS  85           HZ1      LYS  85  13.547   7.537   1.292
  228    HZ2  LYS  85           HZ2      LYS  85  14.959   7.849   2.101
  229    HZ3  LYS  85           HZ3      LYS  85  14.946   7.789   0.489
  230    H    ASP  86           H        ASP  86  10.556   6.657   3.217
  231    HA   ASP  86           HA       ASP  86   8.818   8.139   1.416
  232    HB2  ASP  86           HB2      ASP  86   9.179   9.049   3.575
  233    HB3  ASP  86           HB3      ASP  86  10.891   8.665   3.556
  234    H1   HOH 201           H1       HOH  39  -1.208  -6.518   8.187
  235    H2   HOH 201           H2       HOH  39  -0.359  -7.703   8.591
  236    H1   HOH 202           H1       HOH  20  -6.128  -4.892   8.437
  237    H2   HOH 202           H2       HOH  20  -7.608  -4.928   8.106
  238    H1   HOH 203           H1       HOH 181   7.495  12.723   0.920
  239    H2   HOH 203           H2       HOH 181   8.632  11.752   1.162
  240    H1   HOH 204           H1       HOH  45  -2.527  -7.481   9.243
  241    H2   HOH 204           H2       HOH  45  -2.762  -8.317  10.484
  242    H1   HOH 205           H1       HOH 171   0.981  -0.379 -12.840
  243    H2   HOH 205           H2       HOH 171   0.701   0.423 -14.094
  244    H1   HOH 206           H1       HOH 194   5.941  -0.718 -11.363
  245    H2   HOH 206           H2       HOH 194   6.679   0.532 -11.790
  246    H1   HOH 207           H1       HOH 179   8.169  11.209   3.560
  247    H2   HOH 207           H2       HOH 179   7.542  12.293   4.406
  248    H1   HOH 208           H1       HOH 182   9.591  14.277   3.116
  249    H2   HOH 208           H2       HOH 182   9.293  12.792   3.138
  250    H1   HOH 209           H1       HOH 146  -4.795  -2.117 -11.322
  251    H2   HOH 209           H2       HOH 146  -5.425  -3.473 -11.065
  252    H1   HOH 210           H1       HOH 133  -9.135   1.559  -0.755
  253    H2   HOH 210           H2       HOH 133  -9.828   2.638  -1.558
  254    H1   HOH 211           H1       HOH  33   3.797 -10.458 -10.830
  255    H2   HOH 211           H2       HOH  33   3.314  -9.796  -9.562
  256    H1   HOH 212           H1       HOH  81  -3.806   0.702   9.947
  257    H2   HOH 212           H2       HOH  81  -4.762   1.739  10.495
  258    H1   HOH 213           H1       HOH 150   0.347 -10.707 -12.776
  259    H2   HOH 213           H2       HOH 150   0.676  -9.911 -11.531
  260    H1   HOH 214           H1       HOH  79  -3.894   3.774   8.547
  261    H2   HOH 214           H2       HOH  79  -3.907   4.310   9.962
  262    H1   HOH 215           H1       HOH 130 -10.722   1.781   7.295
  263    H2   HOH 215           H2       HOH 130 -11.984   2.487   7.757
  264    H1   HOH 216           H1       HOH 151   3.527  -8.094 -11.595
  265    H2   HOH 216           H2       HOH 151   4.143  -7.239 -12.685
  266    H1   HOH 217           H1       HOH 183  -5.937   4.911   8.594
  267    H2   HOH 217           H2       HOH 183  -6.976   4.517   7.563
  268    H1   HOH 218           H1       HOH  41   1.471  -6.102   4.674
  269    H2   HOH 218           H2       HOH  41   1.459  -7.135   3.562
  270    H1   HOH 219           H1       HOH  35  -0.306  -5.958   0.861
  271    H2   HOH 219           H2       HOH  35  -1.368  -6.568   1.748
  272    H1   HOH 220           H1       HOH  29  -2.975 -15.136  -5.807
  273    H2   HOH 220           H2       HOH  29  -2.169 -14.139  -4.992
  274    H1   HOH 221           H1       HOH 120 -14.701   1.994  -1.238
  275    H2   HOH 221           H2       HOH 120 -13.855   1.059  -2.078
  276    H1   HOH 222           H1       HOH  56   4.464  -3.551   5.924
  277    H2   HOH 222           H2       HOH  56   5.768  -4.311   5.835
  278    H1   HOH 223           H1       HOH  85  -1.649   2.892   9.194
  279    H2   HOH 223           H2       HOH  85  -2.284   2.236  10.399
  280    H1   HOH 224           H1       HOH 138  -8.770   9.341   7.021
  281    H2   HOH 224           H2       HOH 138  -8.668   8.143   7.942
  282    H1   HOH 225           H1       HOH 137 -10.447   5.535   9.497
  283    H2   HOH 225           H2       HOH 137  -9.754   6.873   9.326
  284    H1   HOH 226           H1       HOH  23  -7.470 -13.149  -8.690
  285    H2   HOH 226           H2       HOH  23  -6.681 -13.996  -7.711
  286    H1   HOH 227           H1       HOH  99  15.653  -3.422  -0.160
  287    H2   HOH 227           H2       HOH  99  16.321  -2.649   0.959
  288    H1   HOH 228           H1       HOH 126 -18.119  -1.411   0.625
  289    H2   HOH 228           H2       HOH 126 -17.049  -1.477   1.700
  290    H1   HOH 229           H1       HOH 123 -14.980  -2.791  -4.173
  291    H2   HOH 229           H2       HOH 123 -16.491  -2.861  -4.270
  292    H1   HOH 230           H1       HOH 145 -10.414  -6.780  -7.897
  293    H2   HOH 230           H2       HOH 145 -11.628  -7.632  -7.578
  294    H1   HOH 231           H1       HOH 149  -1.594 -10.211 -11.233
  295    H2   HOH 231           H2       HOH 149  -2.952  -9.593 -11.506
  296    H1   HOH 232           H1       HOH  22  -0.220 -11.608 -10.389
  297    H2   HOH 232           H2       HOH  22   0.475 -11.493  -9.052
  298    H1   HOH 233           H1       HOH 158   0.730   5.182   0.397
  299    H2   HOH 233           H2       HOH 158  -0.465   5.966   0.897
  300    H1   HOH 234           H1       HOH  36   0.714  -2.634  -1.062
  301    H2   HOH 234           H2       HOH  36   1.306  -1.535  -0.209
  302    H1   HOH 235           H1       HOH  70   7.586  -5.736   3.705
  303    H2   HOH 235           H2       HOH  70   7.336  -6.752   4.803
  304    H1   HOH 236           H1       HOH 127 -13.627   2.195   5.285
  305    H2   HOH 236           H2       HOH 127 -13.889   3.015   6.532
  306    H1   HOH 237           H1       HOH  37   6.076  -2.719   4.261
  307    H2   HOH 237           H2       HOH  37   6.713  -1.478   3.667
  308    H1   HOH 238           H1       HOH   4 -11.856 -11.705  -4.107
  309    H2   HOH 238           H2       HOH   4 -12.623 -10.964  -5.182
  310    H1   HOH 239           H1       HOH 186  10.813  -6.393 -14.312
  311    H2   HOH 239           H2       HOH 186  10.096  -5.343 -13.482
  312    H1   HOH 240           H1       HOH  86  11.795   4.210   6.134
  313    H2   HOH 240           H2       HOH  86  11.039   3.148   5.361
  314    H1   HOH 241           H1       HOH 148   4.373  -6.200 -14.825
  315    H2   HOH 241           H2       HOH 148   3.215  -5.454 -14.196
  316    H1   HOH 242           H1       HOH 101  11.196  -8.070  -9.482
  317    H2   HOH 242           H2       HOH 101   9.716  -8.153  -9.171
  318    H1   HOH 243           H1       HOH 185   8.001  -4.552 -15.714
  319    H2   HOH 243           H2       HOH 185   8.509  -5.764 -14.963
  320    H1   HOH 244           H1       HOH  24  -0.501 -15.351  -9.552
  321    H2   HOH 244           H2       HOH  24  -0.790 -13.930  -9.121
  322    H1   HOH 245           H1       HOH  93  16.771  -4.657  -2.004
  323    H2   HOH 245           H2       HOH  93  15.274  -4.853  -1.874
  324    H1   HOH 246           H1       HOH  96  10.030  -4.035  -1.907
  325    H2   HOH 246           H2       HOH  96   9.368  -4.162  -0.551
  326    H1   HOH 247           H1       HOH 113 -14.619   7.825   4.716
  327    H2   HOH 247           H2       HOH 113 -14.830   7.649   6.204
  328    H1   HOH 248           H1       HOH 198  10.409  -4.282 -11.450
  329    H2   HOH 248           H2       HOH 198   9.869  -3.173 -12.330
  330    H1   HOH 249           H1       HOH 193  10.804  -4.442  -8.974
  331    H2   HOH 249           H2       HOH 193  10.593  -5.794  -9.625
  332    H1   HOH 250           H1       HOH 155   2.098   3.120  -6.292
  333    H2   HOH 250           H2       HOH 155   1.675   4.491  -5.810
  334    H1   HOH 251           H1       HOH  87   5.611  -9.606 -10.096
  335    H2   HOH 251           H2       HOH  87   5.797  -8.466 -11.073
  336    H1   HOH 252           H1       HOH 128 -13.508  -0.333   5.193
  337    H2   HOH 252           H2       HOH 128 -12.257   0.331   5.727
  338    H1   HOH 253           H1       HOH 141  -4.910  -5.188 -12.475
  339    H2   HOH 253           H2       HOH 141  -5.515  -6.055 -11.392
  340    H1   HOH 254           H1       HOH 176   2.260   1.863 -15.688
  341    H2   HOH 254           H2       HOH 176   2.725   0.782 -14.735
  342    H1   HOH 255           H1       HOH  30   2.853 -10.061  -5.605
  343    H2   HOH 255           H2       HOH  30   2.641 -10.713  -6.956
  344    H1   HOH 256           H1       HOH  32  -3.472 -11.649 -11.427
  345    H2   HOH 256           H2       HOH  32  -3.923 -13.042 -11.813
  346    H1   HOH 257           H1       HOH  53  -0.659  -4.888   5.181
  347    H2   HOH 257           H2       HOH  53  -0.798  -4.872   3.673
  348    H1   HOH 258           H1       HOH  68   6.796  -7.718  -6.696
  349    H2   HOH 258           H2       HOH  68   7.901  -7.916  -7.711
  350    H1   HOH 259           H1       HOH 117 -15.017   5.672   4.371
  351    H2   HOH 259           H2       HOH 117 -14.718   4.191   4.471
  352    H1   HOH 260           H1       HOH  31  -6.431 -16.417  -7.510
  353    H2   HOH 260           H2       HOH  31  -5.042 -15.836  -7.365
  354    H1   HOH 261           H1       HOH 124 -17.292  -3.569   0.453
  355    H2   HOH 261           H2       HOH 124 -17.975  -4.919   0.532
  356    H1   HOH 262           H1       HOH 111 -13.303  -9.636  -7.037
  357    H2   HOH 262           H2       HOH 111 -13.575  -8.970  -8.368
  358    H1   HOH 263           H1       HOH 161  -6.918   3.726   1.120
  359    H2   HOH 263           H2       HOH 161  -7.849   2.886   0.270
  360    H1   HOH 264           H1       HOH  97   8.445 -10.178  -8.690
  361    H2   HOH 264           H2       HOH  97   7.671  -9.125  -9.458
  362    H1   HOH 265           H1       HOH  90  14.865  -2.293  -5.169
  363    H2   HOH 265           H2       HOH  90  15.180  -3.377  -6.176
  364    H1   HOH 266           H1       HOH 199   8.408   8.202  -2.695
  365    H2   HOH 266           H2       HOH 199   8.375   9.712  -2.776
  366    H1   HOH 267           H1       HOH 156   1.199   7.122  -2.000
  367    H2   HOH 267           H2       HOH 156   0.147   6.157  -1.486
  368    H1   HOH 268           H1       HOH 153  -3.407   3.790  -6.003
  369    H2   HOH 268           H2       HOH 153  -3.203   4.556  -4.712
  370    H1   HOH 269           H1       HOH  42  -2.399  -6.206   4.593
  371    H2   HOH 269           H2       HOH  42  -3.150  -7.239   5.405
  372    H1   HOH 270           H1       HOH 197  14.836   5.961  -2.055
  373    H2   HOH 270           H2       HOH 197  15.606   4.657  -1.990
  374    H1   HOH 271           H1       HOH  25  -0.529 -12.572  -4.422
  375    H2   HOH 271           H2       HOH  25   0.117 -13.887  -4.047
  376    H1   HOH 272           H1       HOH 139  -1.035  -2.578 -14.632
  377    H2   HOH 272           H2       HOH 139  -0.749  -1.536 -13.572
  378    H1   HOH 273           H1       HOH  16 -14.683   3.146   8.449
  379    H2   HOH 273           H2       HOH  16 -13.358   2.821   9.101
  380    H1   HOH 274           H1       HOH   2 -13.205 -10.257   0.189
  381    H2   HOH 274           H2       HOH   2 -12.509 -11.290  -0.670
  382    H1   HOH 275           H1       HOH 195  13.428   2.417  -2.622
  383    H2   HOH 275           H2       HOH 195  13.903   3.452  -1.627
  384    H1   HOH 276           H1       HOH 184   5.462  -6.567 -17.153
  385    H2   HOH 276           H2       HOH 184   6.191  -5.975 -15.964
  386    H1   HOH 277           H1       HOH   6 -11.824  -4.996   1.779
  387    H2   HOH 277           H2       HOH   6 -13.323  -5.007   1.980
  388    H1   HOH 278           H1       HOH  34 -10.447 -11.285  -5.990
  389    H2   HOH 278           H2       HOH  34  -9.240 -12.053  -6.489
  390    H1   HOH 279           H1       HOH 102  13.330  -4.284  -4.867
  391    H2   HOH 279           H2       HOH 102  11.858  -4.603  -4.693
  392    H1   HOH 280           H1       HOH 172 -10.529   3.452  -3.813
  393    H2   HOH 280           H2       HOH 172  -9.593   2.310  -4.148
  394    H1   HOH 281           H1       HOH  48   7.301  -7.407   2.457
  395    H2   HOH 281           H2       HOH  48   7.724  -8.619   1.651
  396    H1   HOH 282           H1       HOH 136  -7.541   6.543   8.896
  397    H2   HOH 282           H2       HOH 136  -7.392   7.503  10.057
  398    H1   HOH 283           H1       HOH 110 -15.074 -11.071  -5.870
  399    H2   HOH 283           H2       HOH 110 -14.463 -10.329  -4.699
  400    H1   HOH 284           H1       HOH 190  13.968   3.359  -4.585
  401    H2   HOH 284           H2       HOH 190  12.495   3.155  -4.862
  402    H1   HOH 285           H1       HOH 112 -15.494  -4.848   0.546
  403    H2   HOH 285           H2       HOH 112 -14.435  -5.930   0.499
  404    H1   HOH 286           H1       HOH 142  -9.255  -5.832 -10.003
  405    H2   HOH 286           H2       HOH 142  -8.986  -7.287  -9.678
  406    H1   HOH 287           H1       HOH 168  -6.557  -0.083  -7.038
  407    H2   HOH 287           H2       HOH 168  -7.562   0.111  -8.151
  408    H1   HOH 288           H1       HOH 135 -14.114   9.196   7.950
  409    H2   HOH 288           H2       HOH 135 -15.603   9.407   7.784
  410    H1   HOH 289           H1       HOH 144  -6.797  -8.122 -10.934
  411    H2   HOH 289           H2       HOH 144  -5.531  -8.410 -11.721
  412    H1   HOH 290           H1       HOH  26  -2.704 -17.309  -7.080
  413    H2   HOH 290           H2       HOH  26  -2.403 -16.022  -7.821
  414    H1   HOH 291           H1       HOH 131 -12.882  -1.321  -5.132
  415    H2   HOH 291           H2       HOH 131 -13.340  -2.673  -5.646
  416    H1   HOH 292           H1       HOH  71   9.399  -4.114   3.227
  417    H2   HOH 292           H2       HOH  71   7.967  -3.613   3.232
  418    H1   HOH 293           H1       HOH 122 -19.127   0.552  -0.126
  419    H2   HOH 293           H2       HOH 122 -20.274  -0.434  -0.071
  420    H1   HOH 294           H1       HOH  55   1.344  -4.835   6.725
  421    H2   HOH 294           H2       HOH  55   0.373  -5.994   6.828
  422    H1   HOH 295           H1       HOH  65   7.304   1.954   7.664
  423    H2   HOH 295           H2       HOH  65   8.246   0.790   7.875
  424    H1   HOH 296           H1       HOH 129  -9.381   3.255  10.141
  425    H2   HOH 296           H2       HOH 129 -10.293   3.455   8.947
  426    H1   HOH 297           H1       HOH 114 -16.739  -5.185  -1.465
  427    H2   HOH 297           H2       HOH 114 -16.206  -4.815  -2.835
  428    H1   HOH 298           H1       HOH 178   6.837   8.597   3.754
  429    H2   HOH 298           H2       HOH 178   6.865   9.799   4.671
  430    H1   HOH 299           H1       HOH 132 -11.632   1.469  -2.968
  431    H2   HOH 299           H2       HOH 132 -12.186   0.241  -3.657
  432    H1   HOH 300           H1       HOH  88  13.601  -5.579  -3.122
  433    H2   HOH 300           H2       HOH  88  13.818  -6.882  -2.385
  434    H1   HOH 301           H1       HOH   3 -14.119 -10.397  -2.193
  435    H2   HOH 301           H2       HOH   3 -15.281  -9.492  -2.549
  436    H1   HOH 302           H1       HOH 100   9.909  -3.465  -5.749
  437    H2   HOH 302           H2       HOH 100   9.478  -4.665  -4.941
  438    H1   HOH 303           H1       HOH  89  15.535   1.829   0.714
  439    H2   HOH 303           H2       HOH  89  15.058   1.947  -0.722
  440    H1   HOH 304           H1       HOH  28  -3.491 -13.361  -3.245
  441    H2   HOH 304           H2       HOH  28  -3.241 -12.815  -1.853
  442    H1   HOH 305           H1       HOH  60   0.882 -11.003  -5.139
  443    H2   HOH 305           H2       HOH  60   0.370 -10.218  -3.950
  444    H1   HOH 306           H1       HOH 165   1.399   5.892  -3.745
  445    H2   HOH 306           H2       HOH 165   2.333   6.340  -4.854
  446    H1   HOH 307           H1       HOH 191   8.036  -0.942  -9.655
  447    H2   HOH 307           H2       HOH 191   9.197  -1.704 -10.248
  448    H1   HOH 308           H1       HOH 116 -17.557  -1.163  -5.135
  449    H2   HOH 308           H2       HOH 116 -18.668  -2.156  -5.412
  450    H1   HOH 309           H1       HOH 140  -4.635  -9.555 -13.694
  451    H2   HOH 309           H2       HOH 140  -4.668 -10.524 -12.531
  452    H1   HOH 310           H1       HOH   9  -9.937  -5.651   6.940
  453    H2   HOH 310           H2       HOH   9  -8.944  -6.644   7.505
  454    H1   HOH 311           H1       HOH 157   2.742   8.792  -2.441
  455    H2   HOH 311           H2       HOH 157   3.174   8.516  -1.018
  456    H1   HOH 312           H1       HOH 147  -3.224  -0.608 -12.344
  457    H2   HOH 312           H2       HOH 147  -2.816  -1.973 -12.851
  458    H1   HOH 313           H1       HOH  49   3.169  -7.831  -5.640
  459    H2   HOH 313           H2       HOH  49   4.298  -8.113  -4.672
  460    H1   HOH 314           H1       HOH  21 -11.442 -13.088   0.456
  461    H2   HOH 314           H2       HOH  21 -10.360 -12.685  -0.523
  462    H1   HOH 315           H1       HOH  17  -8.356   1.078  10.782
  463    H2   HOH 315           H2       HOH  17  -7.631   2.261  11.391
  464    H1   HOH 316           H1       HOH 159 -10.851  -0.525  -6.086
  465    H2   HOH 316           H2       HOH 159 -10.890   0.732  -5.250
  466    H1   HOH 317           H1       HOH 173   5.695   3.713  -9.206
  467    H2   HOH 317           H2       HOH 173   5.488   2.226  -9.401
  468    H1   HOH 318           H1       HOH 180   7.770   7.901   5.758
  469    H2   HOH 318           H2       HOH 180   8.718   7.984   6.935
  470    H1   HOH 319           H1       HOH  10  -7.124  -3.505  10.094
  471    H2   HOH 319           H2       HOH  10  -6.455  -3.408  11.448
  472    H1   HOH 320           H1       HOH 160  -5.427   6.052   3.279
  473    H2   HOH 320           H2       HOH 160  -4.979   4.668   2.864
  474    H1   HOH 321           H1       HOH 189   8.593   2.838  -7.289
  475    H2   HOH 321           H2       HOH 189   7.313   2.278  -7.878
  476    H1   HOH 322           H1       HOH 152  -9.986 -10.284  -8.061
  477    H2   HOH 322           H2       HOH 152 -11.217  -9.556  -8.552
  478    H1   HOH 323           H1       HOH 115 -17.545   1.288  -5.439
  479    H2   HOH 323           H2       HOH 115 -16.190   0.776  -5.005
  480    H1   HOH 324           H1       HOH 125 -16.286   0.404   3.132
  481    H2   HOH 324           H2       HOH 125 -17.011  -0.651   3.937
  482    H1   HOH 325           H1       HOH 103  15.002  -1.833   2.050
  483    H2   HOH 325           H2       HOH 103  16.146  -1.530   2.992
  484    H1   HOH 326           H1       HOH 167  -1.767   3.593  -7.930
  485    H2   HOH 326           H2       HOH 167  -3.266   3.516  -8.134
  486    H1   HOH 327           H1       HOH  40  -2.678  -8.521   1.785
  487    H2   HOH 327           H2       HOH  40  -2.276  -7.944   3.132
  488    H1   HOH 328           H1       HOH   5 -11.949 -12.769  -2.041
  489    H2   HOH 328           H2       HOH   5 -13.301 -13.090  -2.640
  490    H1   HOH 329           H1       HOH  51   0.942  -9.496   2.499
  491    H2   HOH 329           H2       HOH  51  -0.146  -8.443   2.535
  492    H1   HOH 330           H1       HOH  78   8.291   5.500   6.710
  493    H2   HOH 330           H2       HOH  78   9.222   4.313   6.565
  494    H1   HOH 331           H1       HOH 106  19.509   5.208   1.937
  495    H2   HOH 331           H2       HOH 106  18.155   5.829   2.213
  496    H1   HOH 332           H1       HOH 196   8.290  -1.205 -12.015
  497    H2   HOH 332           H2       HOH 196   9.565  -0.906 -12.780
  498    H1   HOH 333           H1       HOH  12 -12.600   3.150  11.581
  499    H2   HOH 333           H2       HOH  12 -11.728   3.509  10.395
  500    H1   HOH 334           H1       HOH  66   7.532  -4.468  -5.717
  501    H2   HOH 334           H2       HOH  66   7.742  -5.940  -6.010
  502    H1   HOH 335           H1       HOH 121 -15.806   4.619   9.744
  503    H2   HOH 335           H2       HOH 121 -16.924   4.305   8.773
  504    H1   HOH 336           H1       HOH  91  11.737  -3.221   3.657
  505    H2   HOH 336           H2       HOH  91  11.651  -4.429   2.751
  506    H1   HOH 337           H1       HOH  98  15.226   0.498   2.749
  507    H2   HOH 337           H2       HOH  98  16.461   1.372   2.714
  508    H1   HOH 338           H1       HOH  38   6.504  -7.842  -3.727
  509    H2   HOH 338           H2       HOH  38   6.454  -6.593  -4.579
  510    H1   HOH 339           H1       HOH 108  13.340   5.840   6.121
  511    H2   HOH 339           H2       HOH 108  14.089   5.039   7.163
  512    H1   HOH 340           H1       HOH  64   6.009  -0.251   8.049
  513    H2   HOH 340           H2       HOH  64   5.070  -0.840   9.086
  514    H1   HOH 341           H1       HOH 188   8.921  -2.218  -7.790
  515    H2   HOH 341           H2       HOH 188   8.702  -1.665  -6.396
  516    H1   HOH 342           H1       HOH   7 -11.172  -8.188   3.807
  517    H2   HOH 342           H2       HOH   7  -9.898  -8.708   3.177
  518    H1   HOH 343           H1       HOH  27  -8.682 -13.771   0.341
  519    H2   HOH 343           H2       HOH  27  -7.855 -13.405  -0.874
  520    H1   HOH 344           H1       HOH 164  -1.312   0.500 -12.813
  521    H2   HOH 344           H2       HOH 164  -2.167   1.739 -12.969
  522    H1   HOH 345           H1       HOH  52   0.119  -7.708  -0.350
  523    H2   HOH 345           H2       HOH  52   1.042  -7.739   0.852
  524    H1   HOH 346           H1       HOH  94  13.398  -2.372   5.238
  525    H2   HOH 346           H2       HOH  94  13.874  -1.989   3.854
  526    H1   HOH 347           H1       HOH  76   1.392   3.877   9.509
  527    H2   HOH 347           H2       HOH  76   0.284   3.327  10.383
  528    H1   HOH 348           H1       HOH 169  -8.100   1.372  -6.068
  529    H2   HOH 348           H2       HOH 169  -7.789   2.753  -5.524
  530    H1   HOH 349           H1       HOH   8 -11.683  -6.193   5.286
  531    H2   HOH 349           H2       HOH   8 -12.009  -6.079   3.807
  532    H1   HOH 350           H1       HOH  47   8.763  -5.035   1.456
  533    H2   HOH 350           H2       HOH  47   8.417  -6.300   0.697
  534    H1   HOH 351           H1       HOH  19  -7.824  -1.378  10.988
  535    H2   HOH 351           H2       HOH  19  -9.008  -0.953  11.827
  536    H1   HOH 352           H1       HOH  11 -14.892  -8.077  -0.377
  537    H2   HOH 352           H2       HOH  11 -13.909  -8.301   0.756
  538    H1   HOH 353           H1       HOH 134 -12.367  -4.498  -7.243
  539    H2   HOH 353           H2       HOH 134 -13.850  -4.382  -6.957
  540    H1   HOH 354           H1       HOH 119 -19.304   2.890  -0.813
  541    H2   HOH 354           H2       HOH 119 -18.115   2.719   0.109
  542    H1   HOH 355           H1       HOH  14 -12.225  -9.355   2.265
  543    H2   HOH 355           H2       HOH  14 -13.608  -9.890   2.568
  544    H1   HOH 356           H1       HOH  50   4.316  -2.215   7.587
  545    H2   HOH 356           H2       HOH  50   3.508  -3.270   8.310
  546    H1   HOH 357           H1       HOH  92  17.908  -1.108   1.435
  547    H2   HOH 357           H2       HOH  92  18.631  -2.304   2.021
  548    H1   HOH 358           H1       HOH  82   2.946   4.603   7.972
  549    H2   HOH 358           H2       HOH  82   1.748   5.477   7.661
  550    H1   HOH 359           H1       HOH  73  -0.627   1.593  11.356
  551    H2   HOH 359           H2       HOH  73  -0.604   1.536  12.869
  552    H1   HOH 360           H1       HOH  67  -4.773 -11.387  -2.250
  553    H2   HOH 360           H2       HOH  67  -6.090 -10.644  -2.334
  554    H1   HOH 361           H1       HOH 166   2.871   6.549  -7.322
  555    H2   HOH 361           H2       HOH 166   2.289   5.192  -7.662
  556    H1   HOH 362           H1       HOH 107  15.372   2.621   4.187
  557    H2   HOH 362           H2       HOH 107  14.956   3.543   5.315
  558    H1   HOH 363           H1       HOH 143  -8.710  -9.279 -11.286
  559    H2   HOH 363           H2       HOH 143  -9.048  -9.195  -9.815
  560    H1   HOH 364           H1       HOH  61   1.998  -8.721  -3.735
  561    H2   HOH 364           H2       HOH  61   1.479  -8.314  -2.372
  562    H1   HOH 365           H1       HOH  95  17.293   0.900   0.355
  563    H2   HOH 365           H2       HOH  95  18.721   1.160   0.787
  564    H1   HOH 366           H1       HOH 104  18.632   7.606   5.985
  565    H2   HOH 366           H2       HOH 104  18.134   6.409   5.199
  566    H1   HOH 367           H1       HOH  44  -2.041  -9.034  -0.682
  567    H2   HOH 367           H2       HOH  44  -1.033  -9.027  -1.814
  568    H1   HOH 368           H1       HOH 118 -15.462   4.323   2.221
  569    H2   HOH 368           H2       HOH 118 -15.546   5.061   0.904
  570    H1   HOH 369           H1       HOH 105  18.253   4.587   3.927
  571    H2   HOH 369           H2       HOH 105  17.265   4.130   4.981
  572    H1   HOH 370           H1       HOH  43  -4.174  -9.963  -0.748
  573    H2   HOH 370           H2       HOH  43  -4.320  -9.866   0.754
  574    H1   HOH 371           H1       HOH 163   4.046   5.367  -9.063
  575    H2   HOH 371           H2       HOH 163   4.555   5.574 -10.474
  576    H1   HOH 372           H1       HOH 109 -16.023  -5.295  -6.526
  577    H2   HOH 372           H2       HOH 109 -15.821  -5.331  -8.025
  578    H1   HOH 373           H1       HOH 174   3.551   8.369  -6.100
  579    H2   HOH 373           H2       HOH 174   4.295   7.173  -5.548
  580    H1   HOH 374           H1       HOH   1 -17.171  -8.470  -1.569
  581    H2   HOH 374           H2       HOH   1 -16.287  -7.317  -1.999
  582    H1   HOH 375           H1       HOH 154  -5.584   3.950  -5.497
  583    H2   HOH 375           H2       HOH 154  -6.690   4.966  -5.679
  584    H1   HOH 376           H1       HOH  13 -12.424  -5.712   7.452
  585    H2   HOH 376           H2       HOH  13 -11.732  -4.400   7.155
  586    H1   HOH 377           H1       HOH 192  11.430   5.256  -5.452
  587    H2   HOH 377           H2       HOH 192  10.693   4.275  -6.337
  588    H1   HOH 378           H1       HOH 177   5.391   7.707   5.825
  589    H2   HOH 378           H2       HOH 177   6.390   6.921   6.643
  590    H1   HOH 379           H1       HOH 187   9.423   4.794  -8.387
  591    H2   HOH 379           H2       HOH 187   8.486   5.104  -7.242
  592    H1   HOH 380           H1       HOH  80  -0.205  -2.806  13.100
  593    H2   HOH 380           H2       HOH  80  -1.486  -2.124  13.533
  594    H1   HOH 381           H1       HOH  57   1.280  -2.525  11.074
  595    H2   HOH 381           H2       HOH  57   1.568  -1.573  12.216
  596    H1   HOH 382           H1       HOH 162   7.583  10.399  -5.714
  597    H2   HOH 382           H2       HOH 162   7.196   9.391  -4.655
  598    H1   HOH 383           H1       HOH  59   1.886  -4.048  12.374
  599    H2   HOH 383           H2       HOH  59   2.080  -5.491  12.789
  600    H1   HOH 384           H1       HOH  84   4.842   5.716   7.447
  601    H2   HOH 384           H2       HOH  84   5.511   4.459   7.963
  602    H1   HOH 385           H1       HOH 170  -5.474   4.039  -8.879
  603    H2   HOH 385           H2       HOH 170  -4.760   3.644 -10.154
  604    H1   HOH 386           H1       HOH  69  -7.173 -10.310   6.513
  605    H2   HOH 386           H2       HOH  69  -7.284 -11.633   5.788
  606    H1   HOH 387           H1       HOH  62   3.850  -2.686  10.473
  607    H2   HOH 387           H2       HOH  62   3.155  -4.003  10.761
  608    H1   HOH 388           H1       HOH  58  -2.746 -11.371  -0.176
  609    H2   HOH 388           H2       HOH  58  -1.430 -12.084   0.039
  610    H1   HOH 389           H1       HOH  83   1.265   0.351  12.081
  611    H2   HOH 389           H2       HOH  83   2.666   0.905  12.232
  612    H1   HOH 390           H1       HOH  15  -9.177 -11.087   4.969
  613    H2   HOH 390           H2       HOH  15 -10.313 -10.536   4.130
  614    H1   HOH 391           H1       HOH  72  -8.876 -15.733   1.883
  615    H2   HOH 391           H2       HOH  72  -9.439 -14.411   2.361
  616    H1   HOH 392           H1       HOH  63  -1.417 -11.520   2.229
  617    H2   HOH 392           H2       HOH  63  -1.257 -10.045   1.931
  618    H1   HOH 393           H1       HOH  74   2.373   2.850  11.576
  619    H2   HOH 393           H2       HOH  74   3.781   3.251  11.952
  620    H1   HOH 394           H1       HOH  75   5.095  -0.267  11.334
  621    H2   HOH 394           H2       HOH  75   3.613  -0.523  11.183
  622    H1   HOH 395           H1       HOH  18 -11.231 -14.039   4.126
  623    H2   HOH 395           H2       HOH  18 -10.277 -12.907   3.811
  624    H1   HOH 396           H1       HOH  77   2.975   4.749  10.596
  625    H2   HOH 396           H2       HOH  77   4.245   4.948   9.795
  626    H1   HOH 397           H1       HOH  54  -3.207 -13.151   3.164
  627    H2   HOH 397           H2       HOH  54  -3.000 -12.960   1.676
  628    H1   HOH 398           H1       HOH 175   4.425  10.567  -7.156
  629    H2   HOH 398           H2       HOH 175   5.304   9.784  -6.202
  630    H1   HOH 399           H1       HOH  46  -6.262 -13.861   6.240
  631    H2   HOH 399           H2       HOH  46  -7.243 -13.828   5.089
  Start of MODEL    8
    1    HA   PRO  62           HA       PRO  62 -10.307  -7.013  -4.077
    2    HB2  PRO  62           HB2      PRO  62 -12.367  -6.567  -2.042
    3    HB3  PRO  62           HB3      PRO  62 -12.120  -5.694  -3.575
    4    HG2  PRO  62           HG2      PRO  62 -14.302  -7.358  -3.117
    5    HG3  PRO  62           HG3      PRO  62 -13.590  -7.101  -4.740
    6    HD2  PRO  62           HD2      PRO  62 -13.013  -9.330  -2.770
    7    HD3  PRO  62           HD3      PRO  62 -13.403  -9.478  -4.498
    8    H    PHE  63           H        PHE  63  -9.425  -5.988  -2.119
    9    HA   PHE  63           HA       PHE  63  -9.038  -7.710   0.254
   10    HB2  PHE  63           HB2      PHE  63  -7.359  -8.307  -1.550
   11    HB3  PHE  63           HB3      PHE  63  -6.755  -6.663  -1.468
   12    HD1  PHE  63           HD1      PHE  63  -7.640  -9.386   1.032
   13    HD2  PHE  63           HD2      PHE  63  -4.673  -6.611  -0.400
   14    HE1  PHE  63           HE1      PHE  63  -6.067 -10.146   2.787
   15    HE2  PHE  63           HE2      PHE  63  -3.101  -7.379   1.366
   16    HZ   PHE  63           HZ       PHE  63  -3.810  -9.147   2.968
   17    H    ALA  64           H        ALA  64  -7.231  -6.297   1.679
   18    HA   ALA  64           HA       ALA  64  -8.064  -3.438   1.637
   19    HB1  ALA  64           HB1      ALA  64  -8.099  -5.234   4.099
   20    HB2  ALA  64           HB2      ALA  64  -8.425  -3.484   4.066
   21    HB3  ALA  64           HB3      ALA  64  -9.527  -4.604   3.250
   22    H    CYS  65           H        CYS  65  -6.653  -2.033   2.880
   23    HA   CYS  65           HA       CYS  65  -3.798  -2.898   2.914
   24    HB2  CYS  65           HB2      CYS  65  -5.263  -0.270   3.168
   25    HB3  CYS  65           HB3      CYS  65  -3.543  -0.440   3.609
   26    H    ASP  66           H        ASP  66  -2.880  -3.585   4.699
   27    HA   ASP  66           HA       ASP  66  -4.016  -3.568   7.271
   28    HB2  ASP  66           HB2      ASP  66  -1.910  -4.779   6.049
   29    HB3  ASP  66           HB3      ASP  66  -1.015  -3.541   6.911
   30    H    ILE  67           H        ILE  67  -2.227  -1.099   5.664
   31    HA   ILE  67           HA       ILE  67  -1.576   0.451   8.094
   32    HB   ILE  67           HB       ILE  67  -0.926   0.814   5.142
   33   HG12  ILE  67          2HG1      ILE  67   0.164  -1.174   6.022
   34   HG13  ILE  67          3HG1      ILE  67   1.335   0.080   5.693
   35   HG21  ILE  67          HG21      ILE  67   0.100   2.405   7.520
   36   HG22  ILE  67          HG22      ILE  67   0.809   2.445   5.893
   37   HG23  ILE  67          HG23      ILE  67  -0.843   3.005   6.149
   38   HD11  ILE  67          1HD1      ILE  67   0.284  -0.607   8.478
   39   HD12  ILE  67          2HD1      ILE  67   1.815  -1.135   7.789
   40   HD13  ILE  67          3HD1      ILE  67   1.540   0.591   8.083
   41    H    CYS  68           H        CYS  68  -3.349   1.063   5.044
   42    HA   CYS  68           HA       CYS  68  -4.507   3.525   6.005
   43    HB2  CYS  68           HB2      CYS  68  -4.969   1.744   3.580
   44    HB3  CYS  68           HB3      CYS  68  -5.834   3.241   3.854
   45    H    GLY  69           H        GLY  69  -5.498   0.142   6.201
   46    HA2  GLY  69           HA2      GLY  69  -7.413  -0.915   6.897
   47    HA3  GLY  69           HA3      GLY  69  -8.068   0.622   7.454
   48    H    ARG  70           H        ARG  70  -7.239   1.159   4.315
   49    HA   ARG  70           HA       ARG  70 -10.040   1.251   3.507
   50    HB2  ARG  70           HB2      ARG  70  -7.496   2.147   2.084
   51    HB3  ARG  70           HB3      ARG  70  -9.142   2.472   1.516
   52    HG2  ARG  70           HG2      ARG  70  -9.654   3.724   3.563
   53    HG3  ARG  70           HG3      ARG  70  -8.095   3.329   4.248
   54    HD2  ARG  70           HD2      ARG  70  -6.980   4.600   2.373
   55    HD3  ARG  70           HD3      ARG  70  -8.588   5.116   1.863
   56    HE   ARG  70           HE       ARG  70  -8.901   6.277   3.917
   57   HH11  ARG  70          1HH1      ARG  70  -5.509   5.102   3.812
   58   HH12  ARG  70          2HH1      ARG  70  -5.158   5.981   5.249
   59   HH21  ARG  70          1HH2      ARG  70  -8.197   7.443   5.635
   60   HH22  ARG  70          2HH2      ARG  70  -6.621   7.163   6.287
   61    H    LYS  71           H        LYS  71 -11.028   0.355   1.745
   62    HA   LYS  71           HA       LYS  71 -10.217  -2.368   1.016
   63    HB2  LYS  71           HB2      LYS  71 -12.525  -0.592   0.139
   64    HB3  LYS  71           HB3      LYS  71 -12.344  -2.287  -0.319
   65    HG2  LYS  71           HG2      LYS  71 -12.595  -3.024   1.968
   66    HG3  LYS  71           HG3      LYS  71 -12.507  -1.374   2.588
   67    HD2  LYS  71           HD2      LYS  71 -14.797  -2.190   2.602
   68    HD3  LYS  71           HD3      LYS  71 -14.627  -0.783   1.558
   69    HE2  LYS  71           HE2      LYS  71 -14.816  -2.056  -0.431
   70    HE3  LYS  71           HE3      LYS  71 -14.491  -3.588   0.411
   71    HZ1  LYS  71           HZ1      LYS  71 -16.599  -3.400   1.524
   72    HZ2  LYS  71           HZ2      LYS  71 -16.924  -1.938   0.839
   73    HZ3  LYS  71           HZ3      LYS  71 -16.883  -3.285  -0.081
   74    H    PHE  72           H        PHE  72  -9.733  -3.153  -1.038
   75    HA   PHE  72           HA       PHE  72  -9.556  -1.328  -3.345
   76    HB2  PHE  72           HB2      PHE  72  -7.407  -1.193  -1.872
   77    HB3  PHE  72           HB3      PHE  72  -7.082  -2.835  -2.414
   78    HD1  PHE  72           HD1      PHE  72  -5.677  -3.027  -4.347
   79    HD2  PHE  72           HD2      PHE  72  -8.053   0.537  -3.792
   80    HE1  PHE  72           HE1      PHE  72  -4.658  -2.016  -6.367
   81    HE2  PHE  72           HE2      PHE  72  -7.025   1.530  -5.823
   82    HZ   PHE  72           HZ       PHE  72  -5.320   0.253  -7.105
   83    H    ALA  73           H        ALA  73  -8.795  -2.511  -5.312
   84    HA   ALA  73           HA       ALA  73  -9.736  -5.230  -5.670
   85    HB1  ALA  73           HB1      ALA  73  -9.809  -3.626  -7.481
   86    HB2  ALA  73           HB2      ALA  73  -8.064  -3.332  -7.377
   87    HB3  ALA  73           HB3      ALA  73  -8.673  -4.904  -7.926
   88    H    ARG  74           H        ARG  74  -6.614  -4.776  -6.986
   89    HA   ARG  74           HA       ARG  74  -5.035  -5.811  -4.758
   90    HB2  ARG  74           HB2      ARG  74  -5.832  -7.932  -5.504
   91    HB3  ARG  74           HB3      ARG  74  -5.609  -7.517  -7.197
   92    HG2  ARG  74           HG2      ARG  74  -3.131  -7.508  -6.862
   93    HG3  ARG  74           HG3      ARG  74  -3.367  -7.961  -5.163
   94    HD2  ARG  74           HD2      ARG  74  -4.377 -10.096  -5.851
   95    HD3  ARG  74           HD3      ARG  74  -4.417  -9.551  -7.535
   96    HE   ARG  74           HE       ARG  74  -2.487 -10.733  -7.622
   97   HH11  ARG  74          1HH1      ARG  74  -2.814 -11.686  -5.072
   98   HH12  ARG  74          2HH1      ARG  74  -1.151 -11.733  -4.568
   99   HH21  ARG  74          1HH2      ARG  74  -0.146  -9.540  -7.032
  100   HH22  ARG  74          2HH2      ARG  74   0.318 -10.766  -5.925
  101    H    SER  75           H        SER  75  -4.626  -5.836  -8.268
  102    HA   SER  75           HA       SER  75  -3.304  -4.824  -9.730
  103    HB2  SER  75           HB2      SER  75  -2.839  -2.602  -7.730
  104    HB3  SER  75           HB3      SER  75  -2.337  -2.615  -9.427
  105    HG   SER  75           HG       SER  75  -4.332  -1.570  -9.217
  106    H    OUD  76           H        OUD  76  -1.249  -4.932 -10.441
  107    HA   OUD  76           HA       OUD  76   0.863  -5.842  -8.580
  108    HB3  OUD  76           HB3      OUD  76  -0.813  -7.729  -9.299
  109    HB2  OUD  76           HB2      OUD  76  -0.040  -7.651 -10.870
  110    HM3  OUD  76           HM3      OUD  76   2.403  -5.696 -10.368
  111    HM2  OUD  76           HM2      OUD  76   1.141  -5.792 -11.603
  112    HN2  OUD  76           HN2      OUD  76   1.000  -3.530 -11.613
  113    H    OUE  77           H        OUE  77   0.708  -1.484 -10.725
  114    HA   OUE  77           HA       OUE  77   2.120  -0.930  -8.289
  115    HB3  OUE  77           HB3      OUE  77   0.336   1.138  -9.588
  116    HB2  OUE  77           HB2      OUE  77   1.822   1.336  -8.695
  117    HG3  OUE  77           HG3      OUE  77   2.435   1.807 -10.917
  118    HG2  OUE  77           HG2      OUE  77   3.050   0.189 -10.681
  119    HM2  OUE  77           HM2      OUE  77  -0.904  -0.498  -8.267
  120    HM3  OUE  77           HM3      OUE  77   0.234   0.112  -7.056
  121    HN2  OUE  77           HN2      OUE  77   0.011  -2.815  -7.569
  122    H    OUK  78           H        OUK  78  -1.075  -4.002  -5.945
  123    HA   OUK  78           HA       OUK  78   0.415  -3.172  -3.490
  124    HB2  OUK  78           HB2      OUK  78  -0.561  -5.276  -2.460
  125    HB3  OUK  78           HB3      OUK  78  -1.578  -5.460  -3.887
  126    HG2  OUK  78           HG2      OUK  78  -2.562  -3.123  -3.335
  127    HG3  OUK  78           HG3      OUK  78  -1.661  -3.197  -1.822
  128    HD2  OUK  78           HD2      OUK  78  -2.873  -5.429  -1.345
  129    HD3  OUK  78           HD3      OUK  78  -3.821  -5.144  -2.798
  130    HE2  OUK  78           HE2      OUK  78  -5.236  -4.283  -1.097
  131    HE3  OUK  78           HE3      OUK  78  -4.421  -2.823  -1.694
  132    HZ3  OUK  78           HZ3      OUK  78  -4.361  -2.696   0.634
  133    HZ1  OUK  78           HZ1      OUK  78  -2.828  -3.182   0.253
  134    HZ2  OUK  78           HZ2      OUK  78  -3.936  -4.292   0.851
  135    HM3  OUK  78           HM3      OUK  78   1.602  -5.299  -3.673
  136    HM2  OUK  78           HM2      OUK  78   0.588  -5.799  -5.035
  137    HN2  OUK  78           HN2      OUK  78   1.688  -4.302  -6.466
  138    H    OUR  79           H        OUR  79   3.293  -3.099  -7.146
  139    HA   OUR  79           HA       OUR  79   5.271  -2.085  -5.143
  140    HB3  OUR  79           HB3      OUR  79   5.657  -2.573  -8.148
  141    HB2  OUR  79           HB2      OUR  79   6.850  -1.838  -7.074
  142    HG3  OUR  79           HG3      OUR  79   7.054  -3.932  -5.780
  143    HG2  OUR  79           HG2      OUR  79   5.779  -4.699  -6.725
  144    HD3  OUR  79           HD3      OUR  79   7.097  -4.545  -8.793
  145    HD2  OUR  79           HD2      OUR  79   8.378  -3.628  -7.940
  146    HE   OUR  79           HE       OUR  79   7.921  -6.075  -6.576
  147   HH12  OUR  79          2HH1      OUR  79  11.157  -7.025  -7.968
  148   HH11  OUR  79          1HH1      OUR  79  10.495  -6.545  -6.455
  149   HH22  OUR  79          2HH2      OUR  79   8.255  -6.605  -9.892
  150    HM2  OUR  79           HM2      OUR  79   4.291  -0.625  -7.643
  151    HM3  OUR  79           HM3      OUR  79   5.295   0.022  -6.336
  152    HN2  OUR  79           HN2      OUR  79   2.379  -0.605  -6.214
  153   HH21  OUR  79          1HH2      OUR  79   9.969  -6.772  -9.945
  154    H    OUH  80           H        OUH  80   1.147   0.789  -5.168
  155    HA   OUH  80           HA       OUH  80   2.444   2.096  -2.828
  156    HB2  OUH  80           HB2      OUH  80   0.249   3.030  -4.437
  157    HB3  OUH  80           HB3      OUH  80   1.010   3.775  -3.059
  158    HD2  OUH  80           HD2      OUH  80  -0.294   3.720  -0.727
  159    HD1  OUH  80           HD1      OUH  80  -2.048   1.437  -3.810
  160    HE1  OUH  80           HE1      OUH  80  -3.614   1.545  -1.750
  161    HM2  OUH  80           HM2      OUH  80   0.093   0.153  -2.770
  162    HM3  OUH  80           HM3      OUH  80   0.914   0.877  -1.376
  163    HN2  OUH  80           HN2      OUH  80   2.005  -1.168  -3.235
  164    H    OUK  81           H        OUK  81   3.770  -2.302  -2.628
  165    HA   OUK  81           HA       OUK  81   5.046  -1.530  -0.039
  166    HB2  OUK  81           HB2      OUK  81   6.122  -3.749  -0.075
  167    HB3  OUK  81           HB3      OUK  81   5.380  -4.118  -1.625
  168    HG2  OUK  81           HG2      OUK  81   3.088  -3.970  -0.523
  169    HG3  OUK  81           HG3      OUK  81   3.890  -3.720   1.030
  170    HD2  OUK  81           HD2      OUK  81   5.027  -5.938   0.789
  171    HD3  OUK  81           HD3      OUK  81   4.336  -6.134  -0.811
  172    HE2  OUK  81           HE2      OUK  81   2.955  -7.462   0.563
  173    HE3  OUK  81           HE3      OUK  81   1.993  -5.994   0.321
  174    HZ3  OUK  81           HZ3      OUK  81   2.608  -5.314   2.560
  175    HZ1  OUK  81           HZ1      OUK  81   3.613  -6.641   2.735
  176    HZ2  OUK  81           HZ2      OUK  81   1.963  -6.852   2.605
  177    HM3  OUK  81           HM3      OUK  81   7.223  -1.624  -1.083
  178    HM2  OUK  81           HM2      OUK  81   6.550  -2.264  -2.587
  179    HN2  OUK  81           HN2      OUK  81   5.628  -0.133  -3.118
  180    H    OUI  82           H        OUI  82   5.712   2.048  -3.144
  181    HA   OUI  82           HA       OUI  82   6.735   3.363  -0.681
  182    HB   OUI  82           HB       OUI  82   7.555   5.252  -1.896
  183   3HG1  OUI  82          3HG1      OUI  82   6.636   3.883  -4.483
  184   2HG1  OUI  82          2HG1      OUI  82   6.038   5.396  -3.810
  185   1HG2  OUI  82          1HG2      OUI  82   8.751   2.808  -3.295
  186   2HG2  OUI  82          2HG2      OUI  82   8.992   3.144  -1.577
  187   3HG2  OUI  82          3HG2      OUI  82   9.568   4.294  -2.784
  188   2HD1  OUI  82          2HD1      OUI  82   8.821   4.946  -4.977
  189   3HD1  OUI  82          3HD1      OUI  82   8.336   6.415  -4.103
  190   1HD1  OUI  82          1HD1      OUI  82   7.526   5.960  -5.609
  191    HM2  OUI  82           HM2      OUI  82   4.584   4.376  -2.590
  192    HM3  OUI  82           HM3      OUI  82   5.077   5.098  -1.047
  193    HN2  OUI  82           HN2      OUI  82   4.024   2.338  -1.203
  194    H    OUH  83           H        OUH  83   3.886   1.489   0.668
  195    HA   OUH  83           HA       OUH  83   3.067   3.113   3.011
  196    HB2  OUH  83           HB2      OUH  83   3.026   0.993   4.232
  197    HB3  OUH  83           HB3      OUH  83   3.711   0.134   2.869
  198    HD2  OUH  83           HD2      OUH  83   0.841   2.728   2.327
  199    HD1  OUH  83           HD1      OUH  83   1.498  -1.438   2.415
  200    HE1  OUH  83           HE1      OUH  83  -0.842  -0.888   1.431
  201    HM2  OUH  83           HM2      OUH  83   5.136   2.305   4.220
  202    HM3  OUH  83           HM3      OUH  83   5.404   3.532   2.976
  203    HN2  OUH  83           HN2      OUH  83   5.987   1.499   1.490
  204    H    ARG  84           H        ARG  84   8.031   0.812   1.136
  205    HA   ARG  84           HA       ARG  84   9.861   0.400   3.433
  206    HB2  ARG  84           HB2      ARG  84   9.702  -1.182   1.508
  207    HB3  ARG  84           HB3      ARG  84  10.335   0.072   0.432
  208    HG2  ARG  84           HG2      ARG  84  12.478   0.075   1.605
  209    HG3  ARG  84           HG3      ARG  84  11.800  -0.914   2.901
  210    HD2  ARG  84           HD2      ARG  84  13.078  -2.412   1.678
  211    HD3  ARG  84           HD3      ARG  84  11.445  -2.751   1.154
  212    HE   ARG  84           HE       ARG  84  11.911  -1.444  -0.922
  213   HH11  ARG  84          1HH1      ARG  84  15.002  -1.601  -2.427
  214   HH12  ARG  84          2HH1      ARG  84  13.326  -1.221  -2.657
  215   HH21  ARG  84          1HH2      ARG  84  15.789  -2.273  -0.548
  216   HH22  ARG  84          2HH2      ARG  84  14.744  -2.610   0.811
  217    H    LYS  85           H        LYS  85   9.096   2.916   1.319
  218    HA   LYS  85           HA       LYS  85  11.116   4.780   2.329
  219    HB2  LYS  85           HB2      LYS  85  10.710   4.184  -0.645
  220    HB3  LYS  85           HB3      LYS  85  11.505   5.619  -0.039
  221    HG2  LYS  85           HG2      LYS  85  13.370   4.380   0.798
  222    HG3  LYS  85           HG3      LYS  85  12.568   2.830   0.502
  223    HD2  LYS  85           HD2      LYS  85  14.280   3.387  -1.218
  224    HD3  LYS  85           HD3      LYS  85  12.678   3.061  -1.858
  225    HE2  LYS  85           HE2      LYS  85  13.799   4.902  -3.031
  226    HE3  LYS  85           HE3      LYS  85  12.270   5.407  -2.314
  227    HZ1  LYS  85           HZ1      LYS  85  13.387   6.617  -0.677
  228    HZ2  LYS  85           HZ2      LYS  85  14.859   5.859  -0.948
  229    HZ3  LYS  85           HZ3      LYS  85  14.232   6.931  -2.026
  230    H    ASP  86           H        ASP  86  10.497   6.954   1.594
  231    HA   ASP  86           HA       ASP  86   8.363   7.136  -0.298
  232    HB2  ASP  86           HB2      ASP  86   7.113   7.612   1.790
  233    HB3  ASP  86           HB3      ASP  86   8.211   8.948   2.143
  234    H1   HOH 201           H1       HOH 194  12.766   9.378  -2.299
  235    H2   HOH 201           H2       HOH 194  11.883   8.277  -1.750
  236    H1   HOH 202           H1       HOH 184   9.286  12.076  -1.544
  237    H2   HOH 202           H2       HOH 184   9.968  10.822  -1.033
  238    H1   HOH 203           H1       HOH  71   1.727  -6.303   8.902
  239    H2   HOH 203           H2       HOH  71   0.592  -5.667   8.132
  240    H1   HOH 204           H1       HOH 168  -2.137   3.813   2.358
  241    H2   HOH 204           H2       HOH 168  -1.027   4.229   1.410
  242    H1   HOH 205           H1       HOH 189  10.136  10.561   1.560
  243    H2   HOH 205           H2       HOH 189   9.784  11.961   2.020
  244    H1   HOH 206           H1       HOH  72  -5.795  -4.434   9.310
  245    H2   HOH 206           H2       HOH  72  -4.726  -5.201   8.559
  246    H1   HOH 207           H1       HOH  56  -3.748  -6.787  11.046
  247    H2   HOH 207           H2       HOH  56  -3.080  -5.776  10.136
  248    H1   HOH 208           H1       HOH 126  -0.533  -2.073 -13.024
  249    H2   HOH 208           H2       HOH 126  -0.807  -0.740 -12.356
  250    H1   HOH 209           H1       HOH 165   5.583   7.859  -1.593
  251    H2   HOH 209           H2       HOH 165   4.116   8.185  -1.732
  252    H1   HOH 210           H1       HOH 146   1.477  -9.726 -12.313
  253    H2   HOH 210           H2       HOH 146   2.069  -8.620 -11.468
  254    H1   HOH 211           H1       HOH 144  -0.802   3.217 -12.602
  255    H2   HOH 211           H2       HOH 144  -0.078   2.251 -11.694
  256    H1   HOH 212           H1       HOH  15 -11.451  -0.393   7.885
  257    H2   HOH 212           H2       HOH  15 -11.067  -0.686   6.449
  258    H1   HOH 213           H1       HOH 129  -3.896   0.753 -10.033
  259    H2   HOH 213           H2       HOH 129  -5.287   0.489  -9.490
  260    H1   HOH 214           H1       HOH  76  -3.342  -0.841  11.480
  261    H2   HOH 214           H2       HOH  76  -3.732  -0.898  10.017
  262    H1   HOH 215           H1       HOH  24   2.321 -11.342  -7.811
  263    H2   HOH 215           H2       HOH  24   2.407 -10.113  -8.688
  264    H1   HOH 216           H1       HOH 108 -11.252   0.958  -1.857
  265    H2   HOH 216           H2       HOH 108 -11.799   1.909  -2.903
  266    H1   HOH 217           H1       HOH 179   3.062   0.902 -13.308
  267    H2   HOH 217           H2       HOH 179   3.324   2.260 -13.928
  268    H1   HOH 218           H1       HOH   6 -12.594 -10.036   0.166
  269    H2   HOH 218           H2       HOH   6 -11.163  -9.726  -0.221
  270    H1   HOH 219           H1       HOH  47   4.033  -8.701  -9.703
  271    H2   HOH 219           H2       HOH  47   4.505 -10.050  -9.215
  272    H1   HOH 220           H1       HOH 157   4.883   9.536  -0.596
  273    H2   HOH 220           H2       HOH 157   3.867  10.158   0.328
  274    H1   HOH 221           H1       HOH 138   0.628   0.267 -14.013
  275    H2   HOH 221           H2       HOH 138  -0.769  -0.110 -14.455
  276    H1   HOH 222           H1       HOH  67  -3.233  -7.206   7.613
  277    H2   HOH 222           H2       HOH  67  -1.750  -7.458   7.702
  278    H1   HOH 223           H1       HOH 153 -11.298  -9.325  -7.117
  279    H2   HOH 223           H2       HOH 153  -9.934  -9.774  -6.614
  280    H1   HOH 224           H1       HOH 110 -19.766  -3.691   0.517
  281    H2   HOH 224           H2       HOH 110 -19.378  -3.589  -0.943
  282    H1   HOH 225           H1       HOH  23  -4.721 -13.388  -5.073
  283    H2   HOH 225           H2       HOH  23  -4.672 -12.532  -3.826
  284    H1   HOH 226           H1       HOH  27   2.107 -12.804  -5.929
  285    H2   HOH 226           H2       HOH  27   0.668 -13.019  -6.349
  286    H1   HOH 227           H1       HOH 185  15.601   8.625  -2.854
  287    H2   HOH 227           H2       HOH 185  15.933   7.631  -3.949
  288    H1   HOH 228           H1       HOH  60   7.719   2.681   5.773
  289    H2   HOH 228           H2       HOH  60   8.334   3.869   6.481
  290    H1   HOH 229           H1       HOH 181  12.604   0.378  -4.334
  291    H2   HOH 229           H2       HOH 181  11.446  -0.600  -4.271
  292    H1   HOH 230           H1       HOH  32  -0.576 -14.103  -3.216
  293    H2   HOH 230           H2       HOH  32  -0.520 -13.877  -4.713
  294    H1   HOH 231           H1       HOH  74  -3.158   5.140   8.747
  295    H2   HOH 231           H2       HOH  74  -3.999   3.999   8.225
  296    H1   HOH 232           H1       HOH  44   1.241  -7.010   4.714
  297    H2   HOH 232           H2       HOH  44   0.241  -8.121   4.451
  298    H1   HOH 233           H1       HOH 106 -18.451   0.025   2.249
  299    H2   HOH 233           H2       HOH 106 -18.048  -1.357   2.719
  300    H1   HOH 234           H1       HOH 134  -9.631  -0.505  -6.830
  301    H2   HOH 234           H2       HOH 134 -10.821  -1.346  -6.409
  302    H1   HOH 235           H1       HOH  63   2.114  -3.303   3.597
  303    H2   HOH 235           H2       HOH  63   1.450  -4.500   4.245
  304    H1   HOH 236           H1       HOH   1 -16.267  -5.546   3.130
  305    H2   HOH 236           H2       HOH   1 -15.416  -4.351   3.507
  306    H1   HOH 237           H1       HOH  59   6.035  -7.402   2.509
  307    H2   HOH 237           H2       HOH  59   5.062  -8.342   3.193
  308    H1   HOH 238           H1       HOH 130  -4.170  -7.491 -10.388
  309    H2   HOH 238           H2       HOH 130  -5.585  -7.654  -9.862
  310    H1   HOH 239           H1       HOH  87   6.300  -7.041 -11.381
  311    H2   HOH 239           H2       HOH  87   6.046  -8.078 -10.304
  312    H1   HOH 240           H1       HOH  92  17.109  -1.222  -2.448
  313    H2   HOH 240           H2       HOH  92  18.003  -1.120  -1.229
  314    H1   HOH 241           H1       HOH 172  -5.758   7.553   8.225
  315    H2   HOH 241           H2       HOH 172  -5.415   6.081   8.360
  316    H1   HOH 242           H1       HOH  93  16.657   5.493   0.631
  317    H2   HOH 242           H2       HOH  93  16.882   4.163  -0.060
  318    H1   HOH 243           H1       HOH 182  12.649  -6.164 -10.124
  319    H2   HOH 243           H2       HOH 182  12.357  -7.551 -10.651
  320    H1   HOH 244           H1       HOH  36   7.313  -8.285  -6.460
  321    H2   HOH 244           H2       HOH  36   6.191  -7.725  -5.608
  322    H1   HOH 245           H1       HOH 159  -5.697  10.165   7.081
  323    H2   HOH 245           H2       HOH 159  -6.997   9.467   6.746
  324    H1   HOH 246           H1       HOH 120 -11.200   7.311   3.388
  325    H2   HOH 246           H2       HOH 120 -10.886   6.857   4.799
  326    H1   HOH 247           H1       HOH  96  16.486  -1.106  -4.696
  327    H2   HOH 247           H2       HOH  96  16.117   0.235  -4.094
  328    H1   HOH 248           H1       HOH 123  -9.457   9.131   6.232
  329    H2   HOH 248           H2       HOH 123  -9.022  10.512   5.796
  330    H1   HOH 249           H1       HOH 140   1.213  -3.711 -14.079
  331    H2   HOH 249           H2       HOH 140   1.413  -2.283 -13.606
  332    H1   HOH 250           H1       HOH 105 -17.143   0.144   0.111
  333    H2   HOH 250           H2       HOH 105 -15.944   0.321  -0.800
  334    H1   HOH 251           H1       HOH 112 -17.128  -5.062  -2.044
  335    H2   HOH 251           H2       HOH 112 -16.167  -5.604  -1.008
  336    H1   HOH 252           H1       HOH  34  -3.352 -11.792 -10.199
  337    H2   HOH 252           H2       HOH  34  -1.970 -11.381  -9.743
  338    H1   HOH 253           H1       HOH 125  -5.231  -2.134 -11.290
  339    H2   HOH 253           H2       HOH 125  -4.820  -2.890 -12.535
  340    H1   HOH 254           H1       HOH 131  -2.566  -4.665 -12.785
  341    H2   HOH 254           H2       HOH 131  -1.162  -5.232 -12.841
  342    H1   HOH 255           H1       HOH 122  -7.921   6.721   8.238
  343    H2   HOH 255           H2       HOH 122  -9.044   6.531   9.235
  344    H1   HOH 256           H1       HOH  21   3.401  -7.427  -3.522
  345    H2   HOH 256           H2       HOH  21   3.969  -6.092  -3.961
  346    H1   HOH 257           H1       HOH 186  16.507   5.940  -3.079
  347    H2   HOH 257           H2       HOH 186  16.659   4.956  -1.938
  348    H1   HOH 258           H1       HOH 163  -7.107   7.927   0.260
  349    H2   HOH 258           H2       HOH 163  -6.131   7.542   1.350
  350    H1   HOH 259           H1       HOH  89  12.474  -5.319  -4.741
  351    H2   HOH 259           H2       HOH  89  12.528  -6.772  -5.158
  352    H1   HOH 260           H1       HOH  73   5.182  -5.874   4.040
  353    H2   HOH 260           H2       HOH  73   5.715  -4.479   4.300
  354    H1   HOH 261           H1       HOH  90  13.989   1.340   3.117
  355    H2   HOH 261           H2       HOH  90  13.992   0.381   4.286
  356    H1   HOH 262           H1       HOH   3 -13.307 -12.177  -3.206
  357    H2   HOH 262           H2       HOH   3 -12.640 -12.581  -4.505
  358    H1   HOH 263           H1       HOH  58   3.212  -5.463   5.495
  359    H2   HOH 263           H2       HOH  58   2.045  -5.703   6.434
  360    H1   HOH 264           H1       HOH 118 -13.472   1.229   2.465
  361    H2   HOH 264           H2       HOH 118 -12.789   2.556   2.211
  362    H1   HOH 265           H1       HOH  57   9.216   1.392   6.495
  363    H2   HOH 265           H2       HOH  57   9.576   0.440   7.612
  364    H1   HOH 266           H1       HOH 166  -4.308   4.296  -2.434
  365    H2   HOH 266           H2       HOH 166  -5.495   3.492  -2.919
  366    H1   HOH 267           H1       HOH 121  -9.961   7.243   7.102
  367    H2   HOH 267           H2       HOH 121 -11.371   7.756   6.900
  368    H1   HOH 268           H1       HOH  97  15.948  -5.159   0.884
  369    H2   HOH 268           H2       HOH  97  17.237  -4.451   1.250
  370    H1   HOH 269           H1       HOH  17  -7.769   2.582   8.934
  371    H2   HOH 269           H2       HOH  17  -7.607   1.624  10.097
  372    H1   HOH 270           H1       HOH 162  -2.249   5.599  -2.914
  373    H2   HOH 270           H2       HOH 162  -2.933   5.235  -4.215
  374    H1   HOH 271           H1       HOH  85   8.203  -9.771  -8.244
  375    H2   HOH 271           H2       HOH  85   6.857  -9.170  -8.604
  376    H1   HOH 272           H1       HOH  95  14.371  -6.074   0.039
  377    H2   HOH 272           H2       HOH  95  13.553  -6.112   1.312
  378    H1   HOH 273           H1       HOH  70   8.999  -0.867   5.629
  379    H2   HOH 273           H2       HOH  70   9.698  -2.199   5.477
  380    H1   HOH 274           H1       HOH 174   6.719   8.888  -3.301
  381    H2   HOH 274           H2       HOH 174   7.996   9.297  -4.008
  382    H1   HOH 275           H1       HOH  33  -1.463 -14.129  -6.824
  383    H2   HOH 275           H2       HOH  33  -0.341 -15.139  -6.927
  384    H1   HOH 276           H1       HOH  40  -1.068  -5.148   2.194
  385    H2   HOH 276           H2       HOH  40   0.094  -4.178   2.177
  386    H1   HOH 277           H1       HOH  55  -1.235   5.531  10.178
  387    H2   HOH 277           H2       HOH  55  -1.056   4.153   9.578
  388    H1   HOH 278           H1       HOH  81  14.075  -6.614  -6.297
  389    H2   HOH 278           H2       HOH  81  14.413  -8.091  -6.368
  390    H1   HOH 279           H1       HOH 187  12.780  11.328  -0.703
  391    H2   HOH 279           H2       HOH 187  11.814  11.320  -1.866
  392    H1   HOH 280           H1       HOH  16  -9.927  -2.952   8.178
  393    H2   HOH 280           H2       HOH  16 -11.052  -2.606   7.231
  394    H1   HOH 281           H1       HOH 101  13.248   0.295   6.561
  395    H2   HOH 281           H2       HOH 101  12.003   0.369   5.705
  396    H1   HOH 282           H1       HOH  68   3.786  -2.060   5.025
  397    H2   HOH 282           H2       HOH  68   4.111  -3.371   4.338
  398    H1   HOH 283           H1       HOH   8 -17.752  -3.321   4.039
  399    H2   HOH 283           H2       HOH   8 -18.885  -2.575   4.715
  400    H1   HOH 284           H1       HOH   5  -9.028 -11.805   1.501
  401    H2   HOH 284           H2       HOH   5 -10.248 -11.409   0.694
  402    H1   HOH 285           H1       HOH 158  -2.059   6.695   3.251
  403    H2   HOH 285           H2       HOH 158  -3.027   5.556   2.988
  404    H1   HOH 286           H1       HOH 128  -6.640  -3.921 -11.348
  405    H2   HOH 286           H2       HOH 128  -6.278  -5.012 -10.365
  406    H1   HOH 287           H1       HOH 164  -3.859   7.409   1.983
  407    H2   HOH 287           H2       HOH 164  -4.079   8.904   1.917
  408    H1   HOH 288           H1       HOH  62   0.739   2.490  10.167
  409    H2   HOH 288           H2       HOH  62  -0.655   1.980  10.465
  410    H1   HOH 289           H1       HOH 113 -13.764  -9.233  -8.181
  411    H2   HOH 289           H2       HOH 113 -13.069  -8.147  -7.386
  412    H1   HOH 290           H1       HOH 124 -11.468   2.999  -0.821
  413    H2   HOH 290           H2       HOH 124 -11.930   2.574   0.556
  414    H1   HOH 291           H1       HOH  13  -9.712   1.145   9.255
  415    H2   HOH 291           H2       HOH  13 -11.078   0.960   9.874
  416    H1   HOH 292           H1       HOH  28  -3.700 -14.441  -8.003
  417    H2   HOH 292           H2       HOH  28  -2.902 -13.193  -8.321
  418    H1   HOH 293           H1       HOH  98  18.307  -3.479   3.089
  419    H2   HOH 293           H2       HOH  98  17.300  -2.414   2.705
  420    H1   HOH 294           H1       HOH 102  11.638   5.398   5.032
  421    H2   HOH 294           H2       HOH 102  11.099   6.812   5.112
  422    H1   HOH 295           H1       HOH  41  -7.127  -6.537   6.421
  423    H2   HOH 295           H2       HOH  41  -5.930  -6.240   7.298
  424    H1   HOH 296           H1       HOH  79  13.117  -1.868  -5.181
  425    H2   HOH 296           H2       HOH  79  13.012  -2.224  -6.648
  426    H1   HOH 297           H1       HOH  94  17.771  -3.367  -1.807
  427    H2   HOH 297           H2       HOH  94  17.650  -4.655  -1.020
  428    H1   HOH 298           H1       HOH  48  -8.022 -10.793  -6.832
  429    H2   HOH 298           H2       HOH  48  -8.318 -11.143  -5.386
  430    H1   HOH 299           H1       HOH 127  -9.991  -6.866  -8.715
  431    H2   HOH 299           H2       HOH 127  -9.620  -7.958  -7.730
  432    H1   HOH 300           H1       HOH  31   2.488  -9.431  -3.774
  433    H2   HOH 300           H2       HOH  31   1.171  -8.748  -3.476
  434    H1   HOH 301           H1       HOH  14  -8.488  -1.638   9.955
  435    H2   HOH 301           H2       HOH  14  -9.668  -1.002   9.252
  436    H1   HOH 302           H1       HOH  25   4.315 -10.277   2.116
  437    H2   HOH 302           H2       HOH  25   4.535 -10.751   3.536
  438    H1   HOH 303           H1       HOH  42  -0.811  -6.754   3.599
  439    H2   HOH 303           H2       HOH  42  -2.299  -6.744   3.884
  440    H1   HOH 304           H1       HOH 115 -12.780  -2.824  -6.673
  441    H2   HOH 304           H2       HOH 115 -12.886  -1.789  -7.771
  442    H1   HOH 305           H1       HOH 155 -13.166  -5.567  -6.847
  443    H2   HOH 305           H2       HOH 155 -12.290  -6.173  -7.926
  444    H1   HOH 306           H1       HOH 193  10.560   8.669  -4.626
  445    H2   HOH 306           H2       HOH 193  11.786   8.101  -3.941
  446    H1   HOH 307           H1       HOH  91  15.965  -0.352   3.303
  447    H2   HOH 307           H2       HOH  91  17.376  -0.242   3.836
  448    H1   HOH 308           H1       HOH   7 -14.989 -10.185  -0.871
  449    H2   HOH 308           H2       HOH   7 -14.751  -9.504   0.458
  450    H1   HOH 309           H1       HOH 188   9.583  -0.477  -5.525
  451    H2   HOH 309           H2       HOH 188   8.988  -0.180  -4.165
  452    H1   HOH 310           H1       HOH 167   0.071   6.446  -2.999
  453    H2   HOH 310           H2       HOH 167  -0.595   7.062  -1.789
  454    H1   HOH 311           H1       HOH  38   2.761  -9.174  -1.465
  455    H2   HOH 311           H2       HOH  38   4.203  -9.273  -1.021
  456    H1   HOH 312           H1       HOH 151  -2.822  -6.922 -12.040
  457    H2   HOH 312           H2       HOH 151  -3.331  -8.138 -12.788
  458    H1   HOH 313           H1       HOH 154   1.723  -5.369 -15.765
  459    H2   HOH 313           H2       HOH 154   2.352  -5.897 -14.493
  460    H1   HOH 314           H1       HOH  84  15.512  -5.829  -2.867
  461    H2   HOH 314           H2       HOH  84  16.631  -4.857  -3.171
  462    H1   HOH 315           H1       HOH  43  -1.663  -8.555   5.989
  463    H2   HOH 315           H2       HOH  43  -1.486  -9.770   5.102
  464    H1   HOH 316           H1       HOH 104 -18.584  -0.209  -3.186
  465    H2   HOH 316           H2       HOH 104 -17.848  -0.750  -1.979
  466    H1   HOH 317           H1       HOH  19  -6.637 -11.401  -3.646
  467    H2   HOH 317           H2       HOH  19  -7.950 -11.851  -3.046
  468    H1   HOH 318           H1       HOH  51  -0.386  -1.882  13.206
  469    H2   HOH 318           H2       HOH  51  -1.217  -2.870  12.416
  470    H1   HOH 319           H1       HOH 149 -11.808   3.542  -4.628
  471    H2   HOH 319           H2       HOH 149 -10.339   3.205  -4.481
  472    H1   HOH 320           H1       HOH 176   6.610   0.572 -14.256
  473    H2   HOH 320           H2       HOH 176   5.308   0.755 -13.504
  474    H1   HOH 321           H1       HOH 171   6.483   6.872   3.839
  475    H2   HOH 321           H2       HOH 171   6.884   6.054   5.050
  476    H1   HOH 322           H1       HOH 117 -12.592   3.381   4.443
  477    H2   HOH 322           H2       HOH 117 -12.398   2.883   5.861
  478    H1   HOH 323           H1       HOH 137  -3.273  -2.976 -14.318
  479    H2   HOH 323           H2       HOH 137  -2.587  -2.493 -13.057
  480    H1   HOH 324           H1       HOH 169   0.186   5.691   6.890
  481    H2   HOH 324           H2       HOH 169  -1.089   5.509   7.690
  482    H1   HOH 325           H1       HOH 191  15.052   4.094  -5.367
  483    H2   HOH 325           H2       HOH 191  15.785   3.921  -4.053
  484    H1   HOH 326           H1       HOH 152   2.761  -7.835 -13.414
  485    H2   HOH 326           H2       HOH 152   3.693  -8.034 -14.592
  486    H1   HOH 327           H1       HOH 192  15.591  11.106  -2.969
  487    H2   HOH 327           H2       HOH 192  14.324  10.625  -2.294
  488    H1   HOH 328           H1       HOH  69   7.571  -2.575   4.412
  489    H2   HOH 328           H2       HOH  69   6.221  -2.240   3.814
  490    H1   HOH 329           H1       HOH 136   0.628   0.151 -16.446
  491    H2   HOH 329           H2       HOH 136   1.987   0.429 -17.048
  492    H1   HOH 330           H1       HOH 178   6.155  -0.566 -11.953
  493    H2   HOH 330           H2       HOH 178   5.056  -1.365 -11.288
  494    H1   HOH 331           H1       HOH 119 -11.690   5.023   3.082
  495    H2   HOH 331           H2       HOH 119 -11.757   4.237   1.787
  496    H1   HOH 332           H1       HOH  78  10.416 -10.903  -8.926
  497    H2   HOH 332           H2       HOH  78   9.199 -11.796  -9.029
  498    H1   HOH 333           H1       HOH  64  -2.159  -5.012  12.040
  499    H2   HOH 333           H2       HOH  64  -1.593  -5.169  13.434
  500    H1   HOH 334           H1       HOH  66  -5.513   0.397  10.884
  501    H2   HOH 334           H2       HOH  66  -6.079   1.338  11.922
  502    H1   HOH 335           H1       HOH 141  -7.632   0.936  -8.795
  503    H2   HOH 335           H2       HOH 141  -7.235   1.806  -9.969
  504    H1   HOH 336           H1       HOH  12 -10.958  -9.811   2.133
  505    H2   HOH 336           H2       HOH  12 -10.908  -9.094   3.467
  506    H1   HOH 337           H1       HOH 109 -13.954   1.347   0.197
  507    H2   HOH 337           H2       HOH 109 -13.660   1.205  -1.281
  508    H1   HOH 338           H1       HOH 196  13.762   2.465  -4.615
  509    H2   HOH 338           H2       HOH 196  12.295   2.830  -4.718
  510    H1   HOH 339           H1       HOH  49  -8.445 -12.385  -0.718
  511    H2   HOH 339           H2       HOH  49  -8.287 -13.727  -1.397
  512    H1   HOH 340           H1       HOH 170   4.424   6.261   4.795
  513    H2   HOH 340           H2       HOH 170   3.227   6.754   4.012
  514    H1   HOH 341           H1       HOH 195  10.789   4.899  -4.546
  515    H2   HOH 341           H2       HOH 195  11.854   5.095  -5.601
  516    H1   HOH 342           H1       HOH 156   2.643   4.373 -15.185
  517    H2   HOH 342           H2       HOH 156   2.107   4.502 -13.774
  518    H1   HOH 343           H1       HOH  26  -4.794 -12.184  -1.492
  519    H2   HOH 343           H2       HOH  26  -6.210 -12.590  -1.847
  520    H1   HOH 344           H1       HOH  11 -13.381  -4.459   4.900
  521    H2   HOH 344           H2       HOH  11 -14.129  -3.167   5.138
  522    H1   HOH 345           H1       HOH  61   9.212   5.681   5.571
  523    H2   HOH 345           H2       HOH  61   8.422   6.347   6.676
  524    H1   HOH 346           H1       HOH  30  -6.995  -9.505  -8.793
  525    H2   HOH 346           H2       HOH  30  -6.997 -11.007  -8.972
  526    H1   HOH 347           H1       HOH 175   9.078  10.590   4.982
  527    H2   HOH 347           H2       HOH 175  10.133  10.528   3.898
  528    H1   HOH 348           H1       HOH 147  -2.318   6.322  -6.298
  529    H2   HOH 348           H2       HOH 147  -2.164   4.857  -6.639
  530    H1   HOH 349           H1       HOH  45   7.530  -6.314   1.504
  531    H2   HOH 349           H2       HOH  45   7.805  -7.452   0.541
  532    H1   HOH 350           H1       HOH 116 -14.870   0.368   4.537
  533    H2   HOH 350           H2       HOH 116 -13.772   1.400   4.390
  534    H1   HOH 351           H1       HOH  86  16.128  -7.627  -1.383
  535    H2   HOH 351           H2       HOH  86  16.273  -6.266  -0.735
  536    H1   HOH 352           H1       HOH  37  -4.059  -8.902   6.582
  537    H2   HOH 352           H2       HOH  37  -5.408  -8.298   6.249
  538    H1   HOH 353           H1       HOH 103 -15.520  -4.097  -3.033
  539    H2   HOH 353           H2       HOH 103 -15.690  -2.763  -3.729
  540    H1   HOH 354           H1       HOH 183   4.687  -6.635 -13.133
  541    H2   HOH 354           H2       HOH 183   5.648  -5.467 -13.215
  542    H1   HOH 355           H1       HOH  83  14.281  -4.080  -5.944
  543    H2   HOH 355           H2       HOH  83  15.126  -5.017  -5.102
  544    H1   HOH 356           H1       HOH 150  -7.450  -7.469 -10.842
  545    H2   HOH 356           H2       HOH 150  -7.962  -7.760  -9.446
  546    H1   HOH 357           H1       HOH 107 -20.800  -2.953  -2.965
  547    H2   HOH 357           H2       HOH 107 -19.407  -2.434  -2.666
  548    H1   HOH 358           H1       HOH 198  16.830   7.334  -6.289
  549    H2   HOH 358           H2       HOH 198  15.642   6.449  -5.971
  550    H1   HOH 359           H1       HOH 145   1.769   5.642 -11.773
  551    H2   HOH 359           H2       HOH 145   0.753   4.561 -12.095
  552    H1   HOH 360           H1       HOH 100  13.110  -1.616   4.921
  553    H2   HOH 360           H2       HOH 100  13.957  -2.871   4.880
  554    H1   HOH 361           H1       HOH 161  -1.109   6.597   5.390
  555    H2   HOH 361           H2       HOH 161  -0.511   7.847   4.783
  556    H1   HOH 362           H1       HOH 135   3.792   4.050 -12.835
  557    H2   HOH 362           H2       HOH 135   4.528   3.081 -11.936
  558    H1   HOH 363           H1       HOH 139  -0.402   4.035 -10.097
  559    H2   HOH 363           H2       HOH 139  -0.594   5.527  -9.944
  560    H1   HOH 364           H1       HOH 111 -19.101  -4.732  -2.772
  561    H2   HOH 364           H2       HOH 111 -19.149  -6.180  -3.209
  562    H1   HOH 365           H1       HOH  65   2.797  -4.353   8.074
  563    H2   HOH 365           H2       HOH  65   4.292  -4.491   8.269
  564    H1   HOH 366           H1       HOH  18  -9.198  -4.603   7.225
  565    H2   HOH 366           H2       HOH  18  -7.838  -5.028   7.741
  566    H1   HOH 367           H1       HOH  54   4.092  -0.876   7.326
  567    H2   HOH 367           H2       HOH  54   3.994  -2.376   7.131
  568    H1   HOH 368           H1       HOH  80   8.606  -9.386  -3.565
  569    H2   HOH 368           H2       HOH  80   7.769  -8.242  -4.101
  570    H1   HOH 369           H1       HOH   9 -11.460  -4.410   6.334
  571    H2   HOH 369           H2       HOH   9 -11.532  -5.838   5.837
  572    H1   HOH 370           H1       HOH 114 -14.343  -3.927  -5.298
  573    H2   HOH 370           H2       HOH 114 -14.893  -4.199  -6.681
  574    H1   HOH 371           H1       HOH 177   6.960  -0.501  -9.825
  575    H2   HOH 371           H2       HOH 177   7.235   0.934  -9.434
  576    H1   HOH 372           H1       HOH  77   7.459  -4.041   2.680
  577    H2   HOH 372           H2       HOH  77   8.803  -4.550   2.205
  578    H1   HOH 373           H1       HOH   4 -14.410 -13.480  -1.371
  579    H2   HOH 373           H2       HOH   4 -15.181 -12.235  -1.750
  580    H1   HOH 374           H1       HOH 133  -9.800   1.482  -7.588
  581    H2   HOH 374           H2       HOH 133 -10.135   0.734  -8.862
  582    H1   HOH 375           H1       HOH 197  14.496   4.812  -7.530
  583    H2   HOH 375           H2       HOH 197  13.696   5.759  -6.660
  584    H1   HOH 376           H1       HOH  35  -2.201 -11.574   1.211
  585    H2   HOH 376           H2       HOH  35  -0.977 -11.096   0.460
  586    H1   HOH 377           H1       HOH  99  18.457   2.356   0.713
  587    H2   HOH 377           H2       HOH  99  18.813   2.952  -0.632
  588    H1   HOH 378           H1       HOH  82  12.123  -7.477  -1.982
  589    H2   HOH 378           H2       HOH  82  11.390  -6.620  -2.989
  590    H1   HOH 379           H1       HOH 143  -8.436   4.444  -4.030
  591    H2   HOH 379           H2       HOH 143  -8.476   4.638  -5.530
  592    H1   HOH 380           H1       HOH 180   9.752   0.668  -7.468
  593    H2   HOH 380           H2       HOH 180   8.561  -0.196  -7.826
  594    H1   HOH 381           H1       HOH 160   2.379   5.857  -8.880
  595    H2   HOH 381           H2       HOH 160   1.124   5.312  -8.234
  596    H1   HOH 382           H1       HOH 132 -11.797  -6.346 -10.177
  597    H2   HOH 382           H2       HOH 132 -10.773  -5.293  -9.810
  598    H1   HOH 383           H1       HOH  50   6.452  -8.872  -2.369
  599    H2   HOH 383           H2       HOH  50   5.188  -8.097  -2.672
  600    H1   HOH 384           H1       HOH 190  11.852   7.085  -6.017
  601    H2   HOH 384           H2       HOH 190  11.643   6.832  -7.495
  602    H1   HOH 385           H1       HOH 142  -8.755  -4.527 -10.739
  603    H2   HOH 385           H2       HOH 142  -9.800  -3.755 -11.515
  604    H1   HOH 386           H1       HOH  39  -7.846 -11.277   3.937
  605    H2   HOH 386           H2       HOH  39  -9.138 -10.837   3.272
  606    H1   HOH 387           H1       HOH  10  -9.674  -6.555   6.600
  607    H2   HOH 387           H2       HOH  10 -10.366  -7.848   6.980
  608    H1   HOH 388           H1       HOH  53   3.042   2.275  10.840
  609    H2   HOH 388           H2       HOH  53   2.915   1.212   9.770
  610    H1   HOH 389           H1       HOH   2 -17.323 -11.305  -0.964
  611    H2   HOH 389           H2       HOH   2 -16.886 -10.893  -2.352
  612    H1   HOH 390           H1       HOH 199   5.784   8.008  -6.743
  613    H2   HOH 390           H2       HOH 199   6.874   8.624  -5.889
  614    H1   HOH 391           H1       HOH 173   3.399   6.439  -7.090
  615    H2   HOH 391           H2       HOH 173   4.055   6.816  -5.777
  616    H1   HOH 392           H1       HOH  75   2.381   5.857   6.151
  617    H2   HOH 392           H2       HOH  75   2.567   5.862   7.653
  618    H1   HOH 393           H1       HOH 148   3.787   6.606 -10.406
  619    H2   HOH 393           H2       HOH 148   3.549   5.198 -10.911
  620    H1   HOH 394           H1       HOH  52   3.952  -0.912   9.789
  621    H2   HOH 394           H2       HOH  52   5.129  -0.042   9.400
  622    H1   HOH 395           H1       HOH  88   9.755  -7.203  -1.225
  623    H2   HOH 395           H2       HOH  88   8.483  -7.877  -1.688
  624    H1   HOH 396           H1       HOH  46  -6.809 -11.393   6.127
  625    H2   HOH 396           H2       HOH  46  -5.966 -10.311   5.485
  626    H1   HOH 397           H1       HOH  20  -7.627 -13.047   2.818
  627    H2   HOH 397           H2       HOH  20  -7.692 -14.558   2.736
  628    H1   HOH 398           H1       HOH  22  -3.301 -12.328   3.096
  629    H2   HOH 398           H2       HOH  22  -2.018 -13.124   3.200
  630    H1   HOH 399           H1       HOH  29  -5.412 -12.031   4.291
  631    H2   HOH 399           H2       HOH  29  -5.512 -13.151   3.277
  Start of MODEL    9
    1    HA   PRO  62           HA       PRO  62 -10.004  -7.650  -4.003
    2    HB2  PRO  62           HB2      PRO  62 -11.863  -5.753  -2.554
    3    HB3  PRO  62           HB3      PRO  62 -10.704  -5.412  -3.879
    4    HG2  PRO  62           HG2      PRO  62 -13.311  -5.692  -4.490
    5    HG3  PRO  62           HG3      PRO  62 -12.098  -6.566  -5.492
    6    HD2  PRO  62           HD2      PRO  62 -13.716  -7.613  -3.143
    7    HD3  PRO  62           HD3      PRO  62 -13.520  -8.360  -4.750
    8    H    PHE  63           H        PHE  63  -8.844  -6.088  -2.303
    9    HA   PHE  63           HA       PHE  63  -8.777  -7.484   0.336
   10    HB2  PHE  63           HB2      PHE  63  -6.959  -8.088  -1.282
   11    HB3  PHE  63           HB3      PHE  63  -6.443  -6.411  -1.279
   12    HD1  PHE  63           HD1      PHE  63  -7.496  -8.407   1.776
   13    HD2  PHE  63           HD2      PHE  63  -4.213  -6.877  -0.568
   14    HE1  PHE  63           HE1      PHE  63  -5.929  -8.979   3.590
   15    HE2  PHE  63           HE2      PHE  63  -2.641  -7.460   1.274
   16    HZ   PHE  63           HZ       PHE  63  -3.512  -8.508   3.354
   17    H    ALA  64           H        ALA  64  -7.179  -5.937   1.811
   18    HA   ALA  64           HA       ALA  64  -7.804  -3.099   1.570
   19    HB1  ALA  64           HB1      ALA  64  -8.825  -4.720   3.948
   20    HB2  ALA  64           HB2      ALA  64  -8.889  -2.954   3.782
   21    HB3  ALA  64           HB3      ALA  64  -9.848  -3.974   2.690
   22    H    CYS  65           H        CYS  65  -6.679  -1.856   3.332
   23    HA   CYS  65           HA       CYS  65  -3.984  -3.036   3.667
   24    HB2  CYS  65           HB2      CYS  65  -5.100  -0.227   3.756
   25    HB3  CYS  65           HB3      CYS  65  -3.400  -0.632   4.130
   26    H    ASP  66           H        ASP  66  -3.250  -3.747   5.417
   27    HA   ASP  66           HA       ASP  66  -3.964  -3.473   8.091
   28    HB2  ASP  66           HB2      ASP  66  -1.906  -4.566   6.568
   29    HB3  ASP  66           HB3      ASP  66  -1.051  -3.285   7.383
   30    H    ILE  67           H        ILE  67  -1.990  -1.299   6.114
   31    HA   ILE  67           HA       ILE  67  -1.358   0.495   8.313
   32    HB   ILE  67           HB       ILE  67  -0.667   0.539   5.356
   33   HG12  ILE  67          2HG1      ILE  67   0.235  -1.466   6.368
   34   HG13  ILE  67          3HG1      ILE  67   1.524  -0.348   6.008
   35   HG21  ILE  67          HG21      ILE  67   0.507   2.200   7.610
   36   HG22  ILE  67          HG22      ILE  67   1.255   2.011   6.013
   37   HG23  ILE  67          HG23      ILE  67  -0.326   2.778   6.155
   38   HD11  ILE  67          1HD1      ILE  67   0.357  -0.850   8.782
   39   HD12  ILE  67          2HD1      ILE  67   1.900  -1.441   8.153
   40   HD13  ILE  67          3HD1      ILE  67   1.668   0.296   8.408
   41    H    CYS  68           H        CYS  68  -3.712   0.642   5.722
   42    HA   CYS  68           HA       CYS  68  -4.252   3.528   6.328
   43    HB2  CYS  68           HB2      CYS  68  -4.609   2.012   3.751
   44    HB3  CYS  68           HB3      CYS  68  -4.985   3.721   4.004
   45    H    GLY  69           H        GLY  69  -5.618   0.410   6.575
   46    HA2  GLY  69           HA2      GLY  69  -7.677  -0.374   7.124
   47    HA3  GLY  69           HA3      GLY  69  -8.256   1.287   7.202
   48    H    ARG  70           H        ARG  70  -7.868   2.057   4.514
   49    HA   ARG  70           HA       ARG  70 -10.320   1.134   3.382
   50    HB2  ARG  70           HB2      ARG  70  -8.073   2.791   2.149
   51    HB3  ARG  70           HB3      ARG  70  -9.635   2.492   1.378
   52    HG2  ARG  70           HG2      ARG  70 -10.736   3.441   3.498
   53    HG3  ARG  70           HG3      ARG  70  -9.118   4.022   3.949
   54    HD2  ARG  70           HD2      ARG  70  -8.989   5.247   1.778
   55    HD3  ARG  70           HD3      ARG  70 -10.614   4.646   1.364
   56    HE   ARG  70           HE       ARG  70 -10.613   6.027   3.905
   57   HH11  ARG  70          1HH1      ARG  70 -11.689   9.058   2.716
   58   HH12  ARG  70          2HH1      ARG  70 -11.301   8.100   4.124
   59   HH21  ARG  70          1HH2      ARG  70 -10.620   6.694   0.444
   60   HH22  ARG  70          2HH2      ARG  70 -11.133   8.364   0.711
   61    H    LYS  71           H        LYS  71 -10.684   0.411   1.190
   62    HA   LYS  71           HA       LYS  71  -9.600  -2.223   0.767
   63    HB2  LYS  71           HB2      LYS  71 -11.343  -0.550  -1.085
   64    HB3  LYS  71           HB3      LYS  71 -11.055  -2.294  -1.201
   65    HG2  LYS  71           HG2      LYS  71 -12.021  -2.526   1.142
   66    HG3  LYS  71           HG3      LYS  71 -12.498  -0.819   1.023
   67    HD2  LYS  71           HD2      LYS  71 -13.786  -1.394  -1.070
   68    HD3  LYS  71           HD3      LYS  71 -13.402  -3.105  -0.768
   69    HE2  LYS  71           HE2      LYS  71 -14.439  -2.820   1.545
   70    HE3  LYS  71           HE3      LYS  71 -14.971  -1.213   1.048
   71    HZ1  LYS  71           HZ1      LYS  71 -16.222  -2.316  -0.781
   72    HZ2  LYS  71           HZ2      LYS  71 -15.755  -3.785  -0.225
   73    HZ3  LYS  71           HZ3      LYS  71 -16.727  -2.823   0.688
   74    H    PHE  72           H        PHE  72  -8.753  -3.056  -1.226
   75    HA   PHE  72           HA       PHE  72  -7.948  -1.216  -3.297
   76    HB2  PHE  72           HB2      PHE  72  -5.907  -1.598  -1.593
   77    HB3  PHE  72           HB3      PHE  72  -5.703  -3.070  -2.538
   78    HD1  PHE  72           HD1      PHE  72  -4.475  -2.906  -4.632
   79    HD2  PHE  72           HD2      PHE  72  -6.206   0.634  -2.859
   80    HE1  PHE  72           HE1      PHE  72  -3.362  -1.481  -6.338
   81    HE2  PHE  72           HE2      PHE  72  -5.086   2.034  -4.569
   82    HZ   PHE  72           HZ       PHE  72  -3.661   0.969  -6.315
   83    H    ALA  73           H        ALA  73  -7.531  -2.297  -5.348
   84    HA   ALA  73           HA       ALA  73  -9.464  -4.330  -5.733
   85    HB1  ALA  73           HB1      ALA  73  -9.050  -2.579  -7.358
   86    HB2  ALA  73           HB2      ALA  73  -7.407  -3.168  -7.652
   87    HB3  ALA  73           HB3      ALA  73  -8.804  -4.165  -8.113
   88    H    ARG  74           H        ARG  74  -6.195  -4.758  -7.060
   89    HA   ARG  74           HA       ARG  74  -5.469  -6.941  -5.363
   90    HB2  ARG  74           HB2      ARG  74  -6.965  -8.279  -6.791
   91    HB3  ARG  74           HB3      ARG  74  -6.108  -7.747  -8.248
   92    HG2  ARG  74           HG2      ARG  74  -4.033  -8.832  -7.459
   93    HG3  ARG  74           HG3      ARG  74  -4.803  -9.208  -5.911
   94    HD2  ARG  74           HD2      ARG  74  -6.471 -10.618  -7.184
   95    HD3  ARG  74           HD3      ARG  74  -5.469 -10.349  -8.637
   96    HE   ARG  74           HE       ARG  74  -3.887 -11.286  -6.399
   97   HH11  ARG  74          1HH1      ARG  74  -3.857 -14.607  -7.283
   98   HH12  ARG  74          2HH1      ARG  74  -3.318 -13.393  -6.146
   99   HH21  ARG  74          1HH2      ARG  74  -5.979 -12.444  -8.947
  100   HH22  ARG  74          2HH2      ARG  74  -5.283 -14.056  -8.906
  101    H    SER  75           H        SER  75  -4.855  -6.100  -8.726
  102    HA   SER  75           HA       SER  75  -3.202  -5.048  -9.838
  103    HB2  SER  75           HB2      SER  75  -3.096  -3.426  -7.295
  104    HB3  SER  75           HB3      SER  75  -2.781  -2.871  -8.952
  105    HG   SER  75           HG       SER  75  -4.851  -2.314  -8.667
  106    H    OUD  76           H        OUD  76  -1.587  -6.700 -10.053
  107    HA   OUD  76           HA       OUD  76   0.964  -5.877  -8.705
  108    HB3  OUD  76           HB3      OUD  76   0.670  -8.318  -8.635
  109    HB2  OUD  76           HB2      OUD  76   0.428  -8.369 -10.377
  110    HM3  OUD  76           HM3      OUD  76   1.984  -5.588 -10.900
  111    HM2  OUD  76           HM2      OUD  76   0.513  -6.149 -11.705
  112    HN2  OUD  76           HN2      OUD  76  -0.534  -4.103 -11.264
  113    H    OUE  77           H        OUE  77  -0.854  -2.129 -10.387
  114    HA   OUE  77           HA       OUE  77   1.476  -0.952  -8.951
  115    HB3  OUE  77           HB3      OUE  77   0.604   0.022 -11.236
  116    HB2  OUE  77           HB2      OUE  77  -0.760   0.609 -10.312
  117    HG3  OUE  77           HG3      OUE  77   0.903   2.379 -10.452
  118    HG2  OUE  77           HG2      OUE  77   0.827   1.846  -8.788
  119    HM2  OUE  77           HM2      OUE  77  -1.415  -0.296  -8.278
  120    HM3  OUE  77           HM3      OUE  77   0.040   0.146  -7.377
  121    HN2  OUE  77           HN2      OUE  77  -0.676  -2.730  -7.699
  122    H    OUK  78           H        OUK  78  -1.429  -3.789  -5.913
  123    HA   OUK  78           HA       OUK  78   0.458  -3.146  -3.709
  124    HB2  OUK  78           HB2      OUK  78  -0.396  -5.217  -2.572
  125    HB3  OUK  78           HB3      OUK  78  -1.701  -5.325  -3.750
  126    HG2  OUK  78           HG2      OUK  78  -2.601  -3.127  -2.982
  127    HG3  OUK  78           HG3      OUK  78  -1.225  -2.928  -1.891
  128    HD2  OUK  78           HD2      OUK  78  -1.912  -5.006  -0.652
  129    HD3  OUK  78           HD3      OUK  78  -3.313  -5.171  -1.717
  130    HE2  OUK  78           HE2      OUK  78  -4.445  -3.331  -0.755
  131    HE3  OUK  78           HE3      OUK  78  -2.929  -2.525  -0.302
  132    HZ3  OUK  78           HZ3      OUK  78  -4.228  -4.743   1.203
  133    HZ1  OUK  78           HZ1      OUK  78  -3.999  -3.148   1.646
  134    HZ2  OUK  78           HZ2      OUK  78  -2.692  -4.172   1.519
  135    HM3  OUK  78           HM3      OUK  78   1.441  -5.346  -4.157
  136    HM2  OUK  78           HM2      OUK  78   0.184  -5.698  -5.361
  137    HN2  OUK  78           HN2      OUK  78   1.138  -4.190  -6.870
  138    H    OUR  79           H        OUR  79   2.634  -2.828  -7.702
  139    HA   OUR  79           HA       OUR  79   5.037  -2.249  -5.998
  140    HB3  OUR  79           HB3      OUR  79   4.707  -2.163  -9.028
  141    HB2  OUR  79           HB2      OUR  79   6.180  -1.737  -8.176
  142    HG3  OUR  79           HG3      OUR  79   6.616  -4.009  -7.509
  143    HG2  OUR  79           HG2      OUR  79   4.963  -4.529  -7.845
  144    HD3  OUR  79           HD3      OUR  79   5.251  -4.034 -10.241
  145    HD2  OUR  79           HD2      OUR  79   6.946  -3.602  -9.964
  146    HE   OUR  79           HE       OUR  79   7.404  -5.815  -9.314
  147   HH12  OUR  79          2HH1      OUR  79   7.997  -5.798 -11.727
  148   HH11  OUR  79          1HH1      OUR  79   6.830  -6.145 -12.826
  149   HH22  OUR  79          2HH2      OUR  79   4.285  -6.872 -10.452
  150    HM2  OUR  79           HM2      OUR  79   3.695  -0.269  -7.891
  151    HM3  OUR  79           HM3      OUR  79   5.014   0.048  -6.749
  152    HN2  OUR  79           HN2      OUR  79   2.236  -0.695  -5.980
  153   HH21  OUR  79          1HH2      OUR  79   4.698  -7.076 -12.013
  154    H    OUH  80           H        OUH  80   1.005   0.961  -5.529
  155    HA   OUH  80           HA       OUH  80   2.166   2.254  -3.126
  156    HB2  OUH  80           HB2      OUH  80  -0.345   2.623  -4.641
  157    HB3  OUH  80           HB3      OUH  80   0.492   3.717  -3.578
  158    HD2  OUH  80           HD2      OUH  80   0.041   3.149  -0.776
  159    HD1  OUH  80           HD1      OUH  80  -2.557   1.459  -3.645
  160    HE1  OUH  80           HE1      OUH  80  -3.584   1.307  -1.268
  161    HM2  OUH  80           HM2      OUH  80   0.100   0.014  -3.055
  162    HM3  OUH  80           HM3      OUH  80   0.942   0.754  -1.692
  163    HN2  OUH  80           HN2      OUH  80   2.267  -0.924  -3.758
  164    H    OUK  81           H        OUK  81   4.066  -1.963  -3.208
  165    HA   OUK  81           HA       OUK  81   5.205  -1.336  -0.517
  166    HB2  OUK  81           HB2      OUK  81   6.570  -3.378  -0.696
  167    HB3  OUK  81           HB3      OUK  81   5.876  -3.745  -2.272
  168    HG2  OUK  81           HG2      OUK  81   3.600  -4.001  -1.190
  169    HG3  OUK  81           HG3      OUK  81   4.340  -3.705   0.387
  170    HD2  OUK  81           HD2      OUK  81   5.779  -5.720   0.100
  171    HD3  OUK  81           HD3      OUK  81   5.190  -5.926  -1.544
  172    HE2  OUK  81           HE2      OUK  81   3.913  -7.508  -0.378
  173    HE3  OUK  81           HE3      OUK  81   2.802  -6.142  -0.518
  174    HZ3  OUK  81           HZ3      OUK  81   3.314  -5.608   1.819
  175    HZ1  OUK  81           HZ1      OUK  81   4.345  -6.922   1.916
  176    HZ2  OUK  81           HZ2      OUK  81   2.724  -7.172   1.637
  177    HM3  OUK  81           HM3      OUK  81   7.370  -1.079  -1.563
  178    HM2  OUK  81           HM2      OUK  81   6.768  -1.691  -3.110
  179    HN2  OUK  81           HN2      OUK  81   5.724   0.356  -3.571
  180    H    OUI  82           H        OUI  82   5.321   2.482  -3.353
  181    HA   OUI  82           HA       OUI  82   5.847   3.674  -0.658
  182    HB   OUI  82           HB       OUI  82   5.870   5.874  -1.673
  183   3HG1  OUI  82          3HG1      OUI  82   5.692   4.482  -4.403
  184   2HG1  OUI  82          2HG1      OUI  82   4.434   5.469  -3.675
  185   1HG2  OUI  82          1HG2      OUI  82   7.913   4.063  -3.064
  186   2HG2  OUI  82          2HG2      OUI  82   7.987   4.527  -1.355
  187   3HG2  OUI  82          3HG2      OUI  82   8.124   5.759  -2.604
  188   2HD1  OUI  82          2HD1      OUI  82   7.169   6.462  -4.599
  189   3HD1  OUI  82          3HD1      OUI  82   6.022   7.445  -3.660
  190   1HD1  OUI  82          1HD1      OUI  82   5.584   6.855  -5.265
  191    HM2  OUI  82           HM2      OUI  82   3.392   4.008  -2.435
  192    HM3  OUI  82           HM3      OUI  82   3.709   4.926  -0.954
  193    HN2  OUI  82           HN2      OUI  82   3.376   1.964  -1.112
  194    H    OUH  83           H        OUH  83   3.604   0.863   0.772
  195    HA   OUH  83           HA       OUH  83   3.145   2.341   3.303
  196    HB2  OUH  83           HB2      OUH  83   3.202   0.136   4.379
  197    HB3  OUH  83           HB3      OUH  83   3.671  -0.623   2.873
  198    HD2  OUH  83           HD2      OUH  83   0.882   2.075   2.859
  199    HD1  OUH  83           HD1      OUH  83   1.355  -2.112   2.672
  200    HE1  OUH  83           HE1      OUH  83  -1.060  -1.422   2.002
  201    HM2  OUH  83           HM2      OUH  83   5.315   1.388   4.234
  202    HM3  OUH  83           HM3      OUH  83   5.458   2.734   3.087
  203    HN2  OUH  83           HN2      OUH  83   5.882   0.968   1.347
  204    H    ARG  84           H        ARG  84   7.900   1.126   0.704
  205    HA   ARG  84           HA       ARG  84   9.978  -0.146   2.322
  206    HB2  ARG  84           HB2      ARG  84  10.040  -0.320  -0.072
  207    HB3  ARG  84           HB3      ARG  84  10.089   1.436  -0.289
  208    HG2  ARG  84           HG2      ARG  84  12.326   1.597   0.476
  209    HG3  ARG  84           HG3      ARG  84  12.243   0.056   1.337
  210    HD2  ARG  84           HD2      ARG  84  13.650  -0.230  -0.553
  211    HD3  ARG  84           HD3      ARG  84  12.173  -1.189  -0.743
  212    HE   ARG  84           HE       ARG  84  12.064   1.430  -2.094
  213   HH11  ARG  84          1HH1      ARG  84  13.468  -1.797  -2.465
  214   HH12  ARG  84          2HH1      ARG  84  13.632  -1.540  -4.187
  215   HH21  ARG  84          1HH2      ARG  84  12.210   1.543  -4.245
  216   HH22  ARG  84          2HH2      ARG  84  12.856   0.212  -5.177
  217    H    LYS  85           H        LYS  85   9.027   3.180   1.807
  218    HA   LYS  85           HA       LYS  85  10.207   3.969   4.327
  219    HB2  LYS  85           HB2      LYS  85  12.185   4.440   3.026
  220    HB3  LYS  85           HB3      LYS  85  11.242   5.255   1.750
  221    HG2  LYS  85           HG2      LYS  85  10.723   7.109   3.144
  222    HG3  LYS  85           HG3      LYS  85  11.239   6.254   4.603
  223    HD2  LYS  85           HD2      LYS  85  13.567   6.488   4.018
  224    HD3  LYS  85           HD3      LYS  85  13.145   7.104   2.401
  225    HE2  LYS  85           HE2      LYS  85  13.813   8.910   4.008
  226    HE3  LYS  85           HE3      LYS  85  12.207   9.118   3.299
  227    HZ1  LYS  85           HZ1      LYS  85  11.189   8.381   5.328
  228    HZ2  LYS  85           HZ2      LYS  85  12.667   8.002   6.000
  229    HZ3  LYS  85           HZ3      LYS  85  12.232   9.570   5.693
  230    H    ASP  86           H        ASP  86   9.251   5.709   5.187
  231    HA   ASP  86           HA       ASP  86   7.096   7.193   3.702
  232    HB2  ASP  86           HB2      ASP  86   6.222   5.918   5.595
  233    HB3  ASP  86           HB3      ASP  86   7.402   6.679   6.694
  234    H1   HOH 201           H1       HOH 158  -0.582   3.748   1.373
  235    H2   HOH 201           H2       HOH 158  -1.504   3.427   2.536
  236    H1   HOH 202           H1       HOH  57  -5.580  -5.437   9.582
  237    H2   HOH 202           H2       HOH  57  -4.316  -5.935   8.910
  238    H1   HOH 203           H1       HOH  42  -3.505  -8.394   9.498
  239    H2   HOH 203           H2       HOH  42  -2.735  -7.240   8.890
  240    H1   HOH 204           H1       HOH 191   3.688  10.027   7.972
  241    H2   HOH 204           H2       HOH 191   4.120   8.580   8.079
  242    H1   HOH 205           H1       HOH 190   6.293   9.924   2.643
  243    H2   HOH 205           H2       HOH 190   5.362   9.354   3.691
  244    H1   HOH 206           H1       HOH  84   9.945   8.377   7.199
  245    H2   HOH 206           H2       HOH  84  10.832   7.288   7.763
  246    H1   HOH 207           H1       HOH 194   8.489   7.021   1.411
  247    H2   HOH 207           H2       HOH 194   8.702   8.309   2.177
  248    H1   HOH 208           H1       HOH  83   4.729   6.125   7.684
  249    H2   HOH 208           H2       HOH  83   3.959   4.971   7.080
  250    H1   HOH 209           H1       HOH  37  -0.413  -6.786   8.282
  251    H2   HOH 209           H2       HOH  37  -1.134  -8.109   8.178
  252    H1   HOH 210           H1       HOH 189   3.806   8.393   4.952
  253    H2   HOH 210           H2       HOH 189   2.557   8.193   5.782
  254    H1   HOH 211           H1       HOH  59   0.399  -4.806  10.111
  255    H2   HOH 211           H2       HOH  59   0.356  -5.038  11.605
  256    H1   HOH 212           H1       HOH 151   2.820  -7.996 -12.396
  257    H2   HOH 212           H2       HOH 151   3.763  -7.986 -13.586
  258    H1   HOH 213           H1       HOH 187  -2.546   5.735   8.285
  259    H2   HOH 213           H2       HOH 187  -2.853   4.252   8.312
  260    H1   HOH 214           H1       HOH  47   2.887  -7.662  -7.259
  261    H2   HOH 214           H2       HOH  47   2.662  -6.506  -6.311
  262    H1   HOH 215           H1       HOH 115  -8.145   4.095   6.387
  263    H2   HOH 215           H2       HOH 115  -9.353   3.995   7.295
  264    H1   HOH 216           H1       HOH  30   3.152 -11.405 -10.195
  265    H2   HOH 216           H2       HOH  30   2.400 -10.120 -10.474
  266    H1   HOH 217           H1       HOH  10 -12.157  -0.190   5.791
  267    H2   HOH 217           H2       HOH  10 -11.035  -0.922   5.085
  268    H1   HOH 218           H1       HOH 181   5.116   1.605  -9.390
  269    H2   HOH 218           H2       HOH 181   4.913   0.331 -10.164
  270    H1   HOH 219           H1       HOH  71  -4.799  -2.279  11.163
  271    H2   HOH 219           H2       HOH  71  -4.759  -1.577   9.826
  272    H1   HOH 220           H1       HOH 186   3.358  10.787   5.559
  273    H2   HOH 220           H2       HOH 186   4.665  10.112   5.921
  274    H1   HOH 221           H1       HOH  78  -1.525   2.811   9.257
  275    H2   HOH 221           H2       HOH  78  -1.466   3.980  10.213
  276    H1   HOH 222           H1       HOH 180   1.755   0.975 -13.196
  277    H2   HOH 222           H2       HOH 180   2.833   1.104 -12.138
  278    H1   HOH 223           H1       HOH  51  -0.800  -4.896   3.089
  279    H2   HOH 223           H2       HOH  51  -1.931  -5.883   3.292
  280    H1   HOH 224           H1       HOH  89  15.601  -1.252  -5.603
  281    H2   HOH 224           H2       HOH  89  14.338  -1.020  -6.411
  282    H1   HOH 225           H1       HOH   3 -12.042 -11.572  -5.443
  283    H2   HOH 225           H2       HOH   3 -13.073 -10.481  -5.641
  284    H1   HOH 226           H1       HOH 138  -9.627   7.795   6.014
  285    H2   HOH 226           H2       HOH 138 -10.633   8.928   6.083
  286    H1   HOH 227           H1       HOH  26  -3.421 -13.325  -3.517
  287    H2   HOH 227           H2       HOH  26  -2.254 -12.517  -4.048
  288    H1   HOH 228           H1       HOH  23  -3.627 -17.282  -7.265
  289    H2   HOH 228           H2       HOH  23  -3.464 -16.515  -8.561
  290    H1   HOH 229           H1       HOH  53   0.662  -5.032   7.225
  291    H2   HOH 229           H2       HOH  53   0.403  -6.424   6.697
  292    H1   HOH 230           H1       HOH 117 -16.816  -3.020  -3.018
  293    H2   HOH 230           H2       HOH 117 -18.022  -2.150  -2.726
  294    H1   HOH 231           H1       HOH  22  -4.772 -15.944 -10.178
  295    H2   HOH 231           H2       HOH  22  -5.811 -15.136 -10.927
  296    H1   HOH 232           H1       HOH 108  14.981   7.320   6.487
  297    H2   HOH 232           H2       HOH 108  14.093   7.598   7.684
  298    H1   HOH 233           H1       HOH   1 -13.520  -9.914  -0.731
  299    H2   HOH 233           H2       HOH   1 -12.755 -11.009  -1.446
  300    H1   HOH 234           H1       HOH 184 -10.331  10.654   0.273
  301    H2   HOH 234           H2       HOH 184 -11.075  10.249  -0.986
  302    H1   HOH 235           H1       HOH 173   1.781   5.172   0.797
  303    H2   HOH 235           H2       HOH 173   1.009   6.393   0.345
  304    H1   HOH 236           H1       HOH  25  -7.982 -10.688  -9.586
  305    H2   HOH 236           H2       HOH  25  -8.335 -11.896  -8.734
  306    H1   HOH 237           H1       HOH 153 -11.070   5.873  -1.719
  307    H2   HOH 237           H2       HOH 153 -10.753   4.619  -0.930
  308    H1   HOH 238           H1       HOH  46   3.934  -3.413   2.910
  309    H2   HOH 238           H2       HOH  46   3.758  -4.756   3.586
  310    H1   HOH 239           H1       HOH  49   2.229  -9.552   1.103
  311    H2   HOH 239           H2       HOH  49   0.892  -9.130   1.684
  312    H1   HOH 240           H1       HOH 114 -19.230  -2.365   1.496
  313    H2   HOH 240           H2       HOH 114 -18.261  -3.182   2.325
  314    H1   HOH 241           H1       HOH 116 -16.913  -5.381  -1.101
  315    H2   HOH 241           H2       HOH 116 -15.977  -5.148  -2.270
  316    H1   HOH 242           H1       HOH  60  -1.882 -10.587  -6.464
  317    H2   HOH 242           H2       HOH  60  -1.851 -10.678  -4.951
  318    H1   HOH 243           H1       HOH 122 -12.205  11.581   2.397
  319    H2   HOH 243           H2       HOH 122 -12.157  10.560   1.278
  320    H1   HOH 244           H1       HOH  56   4.183  -6.542   4.966
  321    H2   HOH 244           H2       HOH  56   5.511  -6.271   4.280
  322    H1   HOH 245           H1       HOH  34   4.270  -9.667   2.164
  323    H2   HOH 245           H2       HOH  34   4.375  -9.238   3.614
  324    H1   HOH 246           H1       HOH 156  -4.319   2.715   1.867
  325    H2   HOH 246           H2       HOH 156  -4.765   1.353   1.369
  326    H1   HOH 247           H1       HOH  93  12.544  -1.390   4.523
  327    H2   HOH 247           H2       HOH  93  11.992  -0.231   3.722
  328    H1   HOH 248           H1       HOH 123 -10.555   5.037   6.117
  329    H2   HOH 248           H2       HOH 123 -11.322   6.331   5.937
  330    H1   HOH 249           H1       HOH  92  15.936  -3.530  -1.869
  331    H2   HOH 249           H2       HOH  92  15.021  -3.721  -3.061
  332    H1   HOH 250           H1       HOH 136 -13.278  10.361   3.829
  333    H2   HOH 250           H2       HOH 136 -14.164   9.735   4.890
  334    H1   HOH 251           H1       HOH   7 -11.135  -8.219   2.770
  335    H2   HOH 251           H2       HOH   7 -10.927  -8.636   1.327
  336    H1   HOH 252           H1       HOH 193  -8.814  10.202   3.770
  337    H2   HOH 252           H2       HOH 193  -9.962  10.859   4.511
  338    H1   HOH 253           H1       HOH 107  11.195   5.005   7.082
  339    H2   HOH 253           H2       HOH 107  12.509   5.767   7.133
  340    H1   HOH 254           H1       HOH  48  -3.386  -7.479  -4.160
  341    H2   HOH 254           H2       HOH  48  -4.398  -8.313  -3.402
  342    H1   HOH 255           H1       HOH 124 -18.594  -4.244   0.111
  343    H2   HOH 255           H2       HOH 124 -19.375  -5.255  -0.702
  344    H1   HOH 256           H1       HOH  45   6.051  -8.329   1.932
  345    H2   HOH 256           H2       HOH  45   7.100  -7.236   1.915
  346    H1   HOH 257           H1       HOH  35   5.533  -2.494   3.981
  347    H2   HOH 257           H2       HOH  35   5.902  -1.667   2.767
  348    H1   HOH 258           H1       HOH 199   6.151  -8.235 -14.541
  349    H2   HOH 258           H2       HOH 199   5.522  -9.426 -13.855
  350    H1   HOH 259           H1       HOH  81  -2.364  -2.822  11.881
  351    H2   HOH 259           H2       HOH  81  -3.160  -1.683  12.481
  352    H1   HOH 260           H1       HOH  96   6.896  -9.183  -9.400
  353    H2   HOH 260           H2       HOH  96   7.912  -9.196 -10.520
  354    H1   HOH 261           H1       HOH 141  -2.424  -7.076 -12.784
  355    H2   HOH 261           H2       HOH 141  -1.988  -5.630 -12.688
  356    H1   HOH 262           H1       HOH 172  -5.344   0.986  -8.875
  357    H2   HOH 262           H2       HOH 172  -5.423  -0.183  -9.838
  358    H1   HOH 263           H1       HOH  24  -0.881 -11.699  -8.633
  359    H2   HOH 263           H2       HOH  24  -0.607 -12.140  -7.208
  360    H1   HOH 264           H1       HOH  28  -8.229 -16.190  -8.435
  361    H2   HOH 264           H2       HOH  28  -7.121 -15.410  -9.111
  362    H1   HOH 265           H1       HOH 162  -7.199   7.622   2.727
  363    H2   HOH 265           H2       HOH 162  -6.970   6.548   3.770
  364    H1   HOH 266           H1       HOH 111 -12.906   1.288   2.166
  365    H2   HOH 266           H2       HOH 111 -13.391   2.463   1.339
  366    H1   HOH 267           H1       HOH  19  -7.690 -12.843 -10.549
  367    H2   HOH 267           H2       HOH  19  -8.126 -14.293 -10.567
  368    H1   HOH 268           H1       HOH  87   8.568  -8.480 -14.271
  369    H2   HOH 268           H2       HOH  87   9.990  -8.854 -13.909
  370    H1   HOH 269           H1       HOH  29  -3.426 -11.993 -11.955
  371    H2   HOH 269           H2       HOH  29  -3.023 -13.415 -11.620
  372    H1   HOH 270           H1       HOH 101  10.278  -7.323  -8.963
  373    H2   HOH 270           H2       HOH 101   8.849  -7.792  -8.791
  374    H1   HOH 271           H1       HOH 185   4.490  -1.950 -12.976
  375    H2   HOH 271           H2       HOH 185   4.108  -2.368 -11.575
  376    H1   HOH 272           H1       HOH  85   9.163   3.714   7.164
  377    H2   HOH 272           H2       HOH  85  10.275   2.686   7.137
  378    H1   HOH 273           H1       HOH  88  14.831   2.913  -0.421
  379    H2   HOH 273           H2       HOH  88  14.755   2.415  -1.849
  380    H1   HOH 274           H1       HOH  82  -5.396   1.035  10.307
  381    H2   HOH 274           H2       HOH  82  -5.592   2.535  10.213
  382    H1   HOH 275           H1       HOH 126 -16.674  -0.422   3.807
  383    H2   HOH 275           H2       HOH 126 -16.711  -1.925   3.629
  384    H1   HOH 276           H1       HOH 164   2.603   6.009  -9.184
  385    H2   HOH 276           H2       HOH 164   3.430   4.926  -9.844
  386    H1   HOH 277           H1       HOH  77   6.455   4.200   7.878
  387    H2   HOH 277           H2       HOH  77   7.410   4.967   6.993
  388    H1   HOH 278           H1       HOH   5 -12.667  -4.955   1.978
  389    H2   HOH 278           H2       HOH   5 -13.667  -5.711   1.129
  390    H1   HOH 279           H1       HOH 132 -14.107   6.764  -0.271
  391    H2   HOH 279           H2       HOH 132 -13.399   5.840  -1.236
  392    H1   HOH 280           H1       HOH  39   1.584  -4.393   3.604
  393    H2   HOH 280           H2       HOH  39   0.801  -4.960   4.774
  394    H1   HOH 281           H1       HOH   9 -14.665  -6.506  -0.596
  395    H2   HOH 281           H2       HOH   9 -14.044  -7.714   0.082
  396    H1   HOH 282           H1       HOH 137 -11.877  10.551   5.604
  397    H2   HOH 282           H2       HOH 137 -11.147  11.314   6.691
  398    H1   HOH 283           H1       HOH  50   0.277  -8.169  -1.592
  399    H2   HOH 283           H2       HOH  50   1.245  -8.139  -0.427
  400    H1   HOH 284           H1       HOH  58   5.626  -1.631   6.216
  401    H2   HOH 284           H2       HOH  58   5.364  -3.115   6.323
  402    H1   HOH 285           H1       HOH  68  -6.504  -9.434  -4.335
  403    H2   HOH 285           H2       HOH  68  -6.255  -9.662  -2.859
  404    H1   HOH 286           H1       HOH 105  12.109   8.528   8.765
  405    H2   HOH 286           H2       HOH 105  12.892   8.435  10.057
  406    H1   HOH 287           H1       HOH  80  -4.135   4.428   9.950
  407    H2   HOH 287           H2       HOH  80  -4.837   4.661  11.271
  408    H1   HOH 288           H1       HOH 129 -12.539   1.906   6.338
  409    H2   HOH 288           H2       HOH 129 -12.919   1.313   7.680
  410    H1   HOH 289           H1       HOH  11 -12.947  -9.269   1.386
  411    H2   HOH 289           H2       HOH  11 -14.288  -9.957   1.541
  412    H1   HOH 290           H1       HOH 120 -14.808  -0.285  -3.377
  413    H2   HOH 290           H2       HOH 120 -16.081  -0.764  -2.709
  414    H1   HOH 291           H1       HOH 198   9.793  -3.439 -14.251
  415    H2   HOH 291           H2       HOH 198   8.403  -3.344 -13.654
  416    H1   HOH 292           H1       HOH  98  14.096  -3.333  -0.593
  417    H2   HOH 292           H2       HOH  98  14.435  -2.532   0.647
  418    H1   HOH 293           H1       HOH  64   6.045  -8.768  -0.174
  419    H2   HOH 293           H2       HOH  64   5.625  -8.906  -1.625
  420    H1   HOH 294           H1       HOH 188   3.700   9.365   2.321
  421    H2   HOH 294           H2       HOH 188   2.587   8.746   3.136
  422    H1   HOH 295           H1       HOH   2 -14.622 -10.359  -2.821
  423    H2   HOH 295           H2       HOH   2 -16.038 -10.877  -2.964
  424    H1   HOH 296           H1       HOH  31 -10.129 -13.440  -7.542
  425    H2   HOH 296           H2       HOH  31  -8.758 -13.841  -8.044
  426    H1   HOH 297           H1       HOH  16 -11.195 -12.170  -0.081
  427    H2   HOH 297           H2       HOH  16 -11.631 -13.184  -1.116
  428    H1   HOH 298           H1       HOH 128  -9.682   2.257   8.747
  429    H2   HOH 298           H2       HOH 128 -10.817   2.035   7.766
  430    H1   HOH 299           H1       HOH 139  -4.318  -5.632 -12.127
  431    H2   HOH 299           H2       HOH 139  -5.722  -6.013 -11.701
  432    H1   HOH 300           H1       HOH  13  -8.626   0.294   9.919
  433    H2   HOH 300           H2       HOH  13  -7.763   1.534   9.847
  434    H1   HOH 301           H1       HOH  67   6.134  -5.647  -5.618
  435    H2   HOH 301           H2       HOH  67   7.588  -6.059  -5.522
  436    H1   HOH 302           H1       HOH 147  -4.687   0.089 -12.110
  437    H2   HOH 302           H2       HOH 147  -5.334  -1.284 -12.073
  438    H1   HOH 303           H1       HOH 133 -11.771   2.704   0.263
  439    H2   HOH 303           H2       HOH 133 -12.202   2.692  -1.189
  440    H1   HOH 304           H1       HOH  44   3.789 -11.546   0.542
  441    H2   HOH 304           H2       HOH  44   4.295 -10.170   0.161
  442    H1   HOH 305           H1       HOH 112 -12.811   7.346  -2.506
  443    H2   HOH 305           H2       HOH 112 -12.585   6.327  -3.606
  444    H1   HOH 306           H1       HOH 169  -2.151   3.449  -7.611
  445    H2   HOH 306           H2       HOH 169  -0.964   3.156  -6.716
  446    H1   HOH 307           H1       HOH  97  14.935   0.188   2.766
  447    H2   HOH 307           H2       HOH  97  15.971   1.000   2.016
  448    H1   HOH 308           H1       HOH 195  -7.290   7.240   6.830
  449    H2   HOH 308           H2       HOH 195  -8.333   6.220   6.423
  450    H1   HOH 309           H1       HOH 109 -15.523 -10.379  -6.521
  451    H2   HOH 309           H2       HOH 109 -15.045 -10.199  -5.095
  452    H1   HOH 310           H1       HOH 197   7.666  -8.369 -16.554
  453    H2   HOH 310           H2       HOH 197   7.589  -7.067 -15.785
  454    H1   HOH 311           H1       HOH  32   5.261 -12.811  -9.950
  455    H2   HOH 311           H2       HOH  32   4.744 -12.114  -8.710
  456    H1   HOH 312           H1       HOH 134 -12.679   9.477  -2.251
  457    H2   HOH 312           H2       HOH 134 -14.132   9.463  -1.825
  458    H1   HOH 313           H1       HOH 125 -16.451  -4.741  -4.692
  459    H2   HOH 313           H2       HOH 125 -15.317  -3.871  -4.189
  460    H1   HOH 314           H1       HOH  70   9.836  -3.673   2.213
  461    H2   HOH 314           H2       HOH  70   8.559  -3.104   2.794
  462    H1   HOH 315           H1       HOH 106  15.233   2.618   3.465
  463    H2   HOH 315           H2       HOH 106  14.396   3.370   4.479
  464    H1   HOH 316           H1       HOH   8 -10.536  -6.471   4.634
  465    H2   HOH 316           H2       HOH   8 -10.020  -7.893   4.615
  466    H1   HOH 317           H1       HOH 148  -5.364 -12.132 -12.244
  467    H2   HOH 317           H2       HOH 148  -6.865 -12.319 -12.289
  468    H1   HOH 318           H1       HOH 127 -14.542  -0.446   3.304
  469    H2   HOH 318           H2       HOH 127 -13.135  -0.331   3.859
  470    H1   HOH 319           H1       HOH 165   1.154   7.043  -2.080
  471    H2   HOH 319           H2       HOH 165   0.979   5.650  -1.521
  472    H1   HOH 320           H1       HOH   4 -16.906  -4.009   3.889
  473    H2   HOH 320           H2       HOH   4 -18.117  -3.648   4.726
  474    H1   HOH 321           H1       HOH 144   1.365  -7.206 -13.863
  475    H2   HOH 321           H2       HOH 144   0.857  -6.321 -14.980
  476    H1   HOH 322           H1       HOH  21   0.864 -12.332  -5.534
  477    H2   HOH 322           H2       HOH  21   0.348 -13.756  -5.481
  478    H1   HOH 323           H1       HOH   6 -15.076  -5.385   4.521
  479    H2   HOH 323           H2       HOH   6 -14.858  -4.968   3.082
  480    H1   HOH 324           H1       HOH 196   7.407  -4.748 -16.716
  481    H2   HOH 324           H2       HOH 196   8.182  -4.874 -15.420
  482    H1   HOH 325           H1       HOH 143  -6.474  -8.085 -11.960
  483    H2   HOH 325           H2       HOH 143  -7.310  -8.016 -10.700
  484    H1   HOH 326           H1       HOH 176  -6.342   9.778   2.731
  485    H2   HOH 326           H2       HOH 176  -7.539   9.898   1.811
  486    H1   HOH 327           H1       HOH  18  -2.391 -15.716 -10.395
  487    H2   HOH 327           H2       HOH  18  -2.706 -17.126 -10.851
  488    H1   HOH 328           H1       HOH  75  -3.000   0.430  13.868
  489    H2   HOH 328           H2       HOH  75  -1.980   0.293  12.755
  490    H1   HOH 329           H1       HOH  61   1.443  -8.072  -5.143
  491    H2   HOH 329           H2       HOH  61   1.569  -8.135  -3.635
  492    H1   HOH 330           H1       HOH 121 -12.428   4.011   5.519
  493    H2   HOH 330           H2       HOH 121 -13.010   3.260   4.341
  494    H1   HOH 331           H1       HOH  66   5.834   0.459   7.649
  495    H2   HOH 331           H2       HOH  66   5.076  -0.685   8.286
  496    H1   HOH 332           H1       HOH  69   7.928  -5.320   2.890
  497    H2   HOH 332           H2       HOH  69   8.204  -6.348   3.967
  498    H1   HOH 333           H1       HOH 167   1.138   5.864  -4.180
  499    H2   HOH 333           H2       HOH 167   1.910   6.452  -5.343
  500    H1   HOH 334           H1       HOH 102   9.286  -6.179  -7.039
  501    H2   HOH 334           H2       HOH 102   9.958  -6.103  -5.685
  502    H1   HOH 335           H1       HOH 103  17.356   7.745   6.128
  503    H2   HOH 335           H2       HOH 103  16.785   6.694   5.196
  504    H1   HOH 336           H1       HOH 160 -10.930  -0.200  -6.862
  505    H2   HOH 336           H2       HOH 160 -10.289   0.539  -5.709
  506    H1   HOH 337           H1       HOH 100  17.455   0.286  -5.725
  507    H2   HOH 337           H2       HOH 100  18.026  -0.942  -5.051
  508    H1   HOH 338           H1       HOH 177  -9.346  11.421   2.086
  509    H2   HOH 338           H2       HOH 177  -8.877  12.544   1.183
  510    H1   HOH 339           H1       HOH 146  -5.901  -2.958 -13.845
  511    H2   HOH 339           H2       HOH 146  -5.544  -3.599 -12.520
  512    H1   HOH 340           H1       HOH  43  -6.941 -11.490  -1.000
  513    H2   HOH 340           H2       HOH  43  -5.738 -10.626  -1.319
  514    H1   HOH 341           H1       HOH 145 -10.344  -6.703  -9.611
  515    H2   HOH 341           H2       HOH 145 -11.514  -7.433  -8.979
  516    H1   HOH 342           H1       HOH 157   1.848   8.856  -0.562
  517    H2   HOH 342           H2       HOH 157   1.944   8.311   0.843
  518    H1   HOH 343           H1       HOH  86   9.586   0.529   7.945
  519    H2   HOH 343           H2       HOH  86  10.817   0.933   8.725
  520    H1   HOH 344           H1       HOH  20  -0.324 -14.887 -11.044
  521    H2   HOH 344           H2       HOH  20  -0.931 -13.628 -10.466
  522    H1   HOH 345           H1       HOH  73  -1.027   1.895  11.386
  523    H2   HOH 345           H2       HOH  73   0.218   1.276  11.978
  524    H1   HOH 346           H1       HOH 113 -16.549   9.119   4.881
  525    H2   HOH 346           H2       HOH 113 -15.710   8.094   5.614
  526    H1   HOH 347           H1       HOH  17  -0.644 -11.308 -10.897
  527    H2   HOH 347           H2       HOH  17   0.683 -11.738 -10.307
  528    H1   HOH 348           H1       HOH  79   3.137   5.336  10.573
  529    H2   HOH 348           H2       HOH  79   3.638   4.719   9.284
  530    H1   HOH 349           H1       HOH 168   0.859   0.476 -15.085
  531    H2   HOH 349           H2       HOH 168  -0.040  -0.546 -14.420
  532    H1   HOH 350           H1       HOH  99   9.391  -3.858  -6.029
  533    H2   HOH 350           H2       HOH  99   9.404  -2.953  -4.815
  534    H1   HOH 351           H1       HOH 170   1.875   6.956  -7.461
  535    H2   HOH 351           H2       HOH 170   0.982   5.762  -7.219
  536    H1   HOH 352           H1       HOH  62   3.477  -3.481  11.746
  537    H2   HOH 352           H2       HOH  62   2.283  -3.608  10.826
  538    H1   HOH 353           H1       HOH 152  -4.103   4.677  -6.935
  539    H2   HOH 353           H2       HOH 152  -3.667   3.473  -6.131
  540    H1   HOH 354           H1       HOH 161 -10.542   9.926  -3.260
  541    H2   HOH 354           H2       HOH 161 -11.283  11.245  -3.244
  542    H1   HOH 355           H1       HOH 174  -7.206   0.160  -8.476
  543    H2   HOH 355           H2       HOH 174  -8.443   0.426  -9.306
  544    H1   HOH 356           H1       HOH 175  -8.569   1.165  -6.810
  545    H2   HOH 356           H2       HOH 175  -8.201   2.277  -5.848
  546    H1   HOH 357           H1       HOH  15  -7.118  -1.523  10.239
  547    H2   HOH 357           H2       HOH  15  -8.364  -1.884  11.020
  548    H1   HOH 358           H1       HOH 159  -7.377   5.648  -1.481
  549    H2   HOH 358           H2       HOH 159  -8.823   5.431  -1.870
  550    H1   HOH 359           H1       HOH  38   2.415  -6.482   6.328
  551    H2   HOH 359           H2       HOH  38   3.025  -7.670   7.042
  552    H1   HOH 360           H1       HOH  90  11.708  -2.378   2.419
  553    H2   HOH 360           H2       HOH  90  12.224  -3.111   1.198
  554    H1   HOH 361           H1       HOH 150  -1.673  -8.823 -14.651
  555    H2   HOH 361           H2       HOH 150  -0.807  -7.854 -13.877
  556    H1   HOH 362           H1       HOH  63   4.653  -8.978  -4.015
  557    H2   HOH 362           H2       HOH  63   3.668  -8.724  -5.138
  558    H1   HOH 363           H1       HOH  74   0.697   2.691  10.387
  559    H2   HOH 363           H2       HOH  74   2.163   3.049  10.514
  560    H1   HOH 364           H1       HOH  41  -1.956  -8.440  -2.865
  561    H2   HOH 364           H2       HOH  41  -0.528  -8.605  -3.343
  562    H1   HOH 365           H1       HOH  52  -1.057 -10.622  -2.954
  563    H2   HOH 365           H2       HOH  52  -0.073 -11.491  -3.710
  564    H1   HOH 366           H1       HOH 140  -9.861  -4.684 -11.169
  565    H2   HOH 366           H2       HOH 140  -8.700  -5.578 -10.794
  566    H1   HOH 367           H1       HOH  72  10.058   8.001   9.660
  567    H2   HOH 367           H2       HOH  72   8.983   7.926  10.723
  568    H1   HOH 368           H1       HOH  91  16.243  -0.788   0.790
  569    H2   HOH 368           H2       HOH  91  16.527  -1.958   1.709
  570    H1   HOH 369           H1       HOH 130 -13.634  -2.104  -4.624
  571    H2   HOH 369           H2       HOH 130 -13.777  -3.176  -5.688
  572    H1   HOH 370           H1       HOH  94  16.330   1.352  -0.136
  573    H2   HOH 370           H2       HOH  94  17.755   1.182   0.352
  574    H1   HOH 371           H1       HOH 119 -14.476   1.233  -1.943
  575    H2   HOH 371           H2       HOH 119 -14.205   2.331  -0.935
  576    H1   HOH 372           H1       HOH  36   7.085  -8.025  -2.847
  577    H2   HOH 372           H2       HOH  36   6.228  -7.397  -3.924
  578    H1   HOH 373           H1       HOH  65  -0.774  -9.630   3.386
  579    H2   HOH 373           H2       HOH  65  -1.061 -10.562   2.229
  580    H1   HOH 374           H1       HOH  95  10.373  -3.665  -0.049
  581    H2   HOH 374           H2       HOH  95   8.961  -4.046   0.335
  582    H1   HOH 375           H1       HOH 149  -2.496  -9.633 -12.816
  583    H2   HOH 375           H2       HOH 149  -3.928 -10.127 -12.784
  584    H1   HOH 376           H1       HOH 192   9.085  14.241   4.412
  585    H2   HOH 376           H2       HOH 192  10.060  13.750   3.364
  586    H1   HOH 377           H1       HOH 155   5.729   7.682  -8.294
  587    H2   HOH 377           H2       HOH 155   4.646   6.673  -8.635
  588    H1   HOH 378           H1       HOH 142  -9.131  -9.415 -10.915
  589    H2   HOH 378           H2       HOH 142  -9.307  -8.594  -9.656
  590    H1   HOH 379           H1       HOH 118 -15.515   3.668   0.893
  591    H2   HOH 379           H2       HOH 118 -14.330   4.286   0.181
  592    H1   HOH 380           H1       HOH 179  -0.765   1.537 -13.633
  593    H2   HOH 380           H2       HOH 179  -0.778   2.931 -13.044
  594    H1   HOH 381           H1       HOH 110 -13.603  -8.218  -8.133
  595    H2   HOH 381           H2       HOH 110 -13.841  -7.591  -9.490
  596    H1   HOH 382           H1       HOH  33  -1.195  -9.031   5.756
  597    H2   HOH 382           H2       HOH  33  -2.114 -10.165   5.352
  598    H1   HOH 383           H1       HOH 131 -12.899   0.281  -3.609
  599    H2   HOH 383           H2       HOH 131 -12.338  -0.325  -4.876
  600    H1   HOH 384           H1       HOH  12 -10.917 -10.686   4.877
  601    H2   HOH 384           H2       HOH  12 -10.597 -10.010   3.561
  602    H1   HOH 385           H1       HOH 154  -6.148   3.797  -5.804
  603    H2   HOH 385           H2       HOH 154  -7.295   4.206  -4.903
  604    H1   HOH 386           H1       HOH  40  -3.568  -9.682  -1.565
  605    H2   HOH 386           H2       HOH  40  -3.928  -9.818  -0.102
  606    H1   HOH 387           H1       HOH  27   2.520 -10.920  -4.360
  607    H2   HOH 387           H2       HOH  27   1.235 -10.150  -4.560
  608    H1   HOH 388           H1       HOH 104  17.878   4.687   4.119
  609    H2   HOH 388           H2       HOH 104  16.365   4.674   4.180
  610    H1   HOH 389           H1       HOH 135 -13.511  -3.033  -8.103
  611    H2   HOH 389           H2       HOH 135 -13.363  -4.519  -7.856
  612    H1   HOH 390           H1       HOH 166  -2.987   1.575 -13.068
  613    H2   HOH 390           H2       HOH 166  -4.291   1.884 -13.772
  614    H1   HOH 391           H1       HOH 178  -5.335   3.120  -7.808
  615    H2   HOH 391           H2       HOH 178  -6.387   3.249  -8.888
  616    H1   HOH 392           H1       HOH  55  -2.849 -12.267   6.400
  617    H2   HOH 392           H2       HOH  55  -3.286 -11.034   7.163
  618    H1   HOH 393           H1       HOH 182   3.137   8.632  -6.328
  619    H2   HOH 393           H2       HOH 182   3.834   7.335  -6.678
  620    H1   HOH 394           H1       HOH  76   3.712  -0.270  10.234
  621    H2   HOH 394           H2       HOH  76   3.878  -1.770  10.114
  622    H1   HOH 395           H1       HOH 171  -2.810   4.767  -9.677
  623    H2   HOH 395           H2       HOH 171  -3.828   3.783  -9.136
  624    H1   HOH 396           H1       HOH  14  -8.486 -10.813   4.832
  625    H2   HOH 396           H2       HOH  14  -7.851 -11.384   6.083
  626    H1   HOH 397           H1       HOH  54  -5.982 -11.466   4.505
  627    H2   HOH 397           H2       HOH  54  -4.516 -11.462   4.890
  628    H1   HOH 398           H1       HOH 183   3.573  10.316  -7.936
  629    H2   HOH 398           H2       HOH 183   3.109  11.141  -6.755
  630    H1   HOH 399           H1       HOH 163   4.804  10.423  -5.676
  631    H2   HOH 399           H2       HOH 163   6.207  10.106  -5.195
  Start of MODEL   10
    1    HA   PRO  62           HA       PRO  62 -10.339  -7.406  -4.038
    2    HB2  PRO  62           HB2      PRO  62 -10.957  -5.009  -2.703
    3    HB3  PRO  62           HB3      PRO  62 -11.326  -5.395  -4.406
    4    HG2  PRO  62           HG2      PRO  62 -13.143  -5.719  -1.988
    5    HG3  PRO  62           HG3      PRO  62 -13.517  -4.967  -3.565
    6    HD2  PRO  62           HD2      PRO  62 -14.263  -7.493  -3.208
    7    HD3  PRO  62           HD3      PRO  62 -13.389  -7.076  -4.707
    8    H    PHE  63           H        PHE  63  -8.717  -6.151  -2.561
    9    HA   PHE  63           HA       PHE  63  -8.471  -7.661   0.006
   10    HB2  PHE  63           HB2      PHE  63  -6.713  -7.543  -2.081
   11    HB3  PHE  63           HB3      PHE  63  -6.145  -6.182  -1.137
   12    HD1  PHE  63           HD1      PHE  63  -7.177  -9.794  -0.838
   13    HD2  PHE  63           HD2      PHE  63  -4.600  -6.669   0.655
   14    HE1  PHE  63           HE1      PHE  63  -5.981 -11.446   0.574
   15    HE2  PHE  63           HE2      PHE  63  -3.410  -8.336   2.062
   16    HZ   PHE  63           HZ       PHE  63  -4.099 -10.719   2.017
   17    H    ALA  64           H        ALA  64  -6.982  -6.258   1.616
   18    HA   ALA  64           HA       ALA  64  -7.718  -3.386   1.591
   19    HB1  ALA  64           HB1      ALA  64  -8.228  -5.220   3.971
   20    HB2  ALA  64           HB2      ALA  64  -8.452  -3.453   3.929
   21    HB3  ALA  64           HB3      ALA  64  -9.476  -4.498   2.925
   22    H    CYS  65           H        CYS  65  -6.457  -2.066   3.025
   23    HA   CYS  65           HA       CYS  65  -3.621  -2.921   3.143
   24    HB2  CYS  65           HB2      CYS  65  -5.096  -0.311   3.572
   25    HB3  CYS  65           HB3      CYS  65  -3.331  -0.480   3.641
   26    H    ASP  66           H        ASP  66  -2.595  -3.460   4.986
   27    HA   ASP  66           HA       ASP  66  -3.816  -3.260   7.552
   28    HB2  ASP  66           HB2      ASP  66  -1.928  -4.800   6.652
   29    HB3  ASP  66           HB3      ASP  66  -0.835  -3.505   7.029
   30    H    ILE  67           H        ILE  67  -1.641  -1.076   5.856
   31    HA   ILE  67           HA       ILE  67  -1.361   0.761   8.098
   32    HB   ILE  67           HB       ILE  67  -0.528   0.895   5.192
   33   HG12  ILE  67          2HG1      ILE  67   0.730  -0.737   6.525
   34   HG13  ILE  67          3HG1      ILE  67   1.731   0.613   6.019
   35   HG21  ILE  67          HG21      ILE  67  -0.024   2.961   7.368
   36   HG22  ILE  67          HG22      ILE  67   0.892   2.867   5.854
   37   HG23  ILE  67          HG23      ILE  67  -0.840   3.205   5.812
   38   HD11  ILE  67          1HD1      ILE  67   0.627   0.219   8.832
   39   HD12  ILE  67          2HD1      ILE  67   2.286  -0.057   8.290
   40   HD13  ILE  67          3HD1      ILE  67   1.633   1.585   8.290
   41    H    CYS  68           H        CYS  68  -2.983   1.251   4.874
   42    HA   CYS  68           HA       CYS  68  -4.230   3.643   5.718
   43    HB2  CYS  68           HB2      CYS  68  -4.962   1.729   3.450
   44    HB3  CYS  68           HB3      CYS  68  -5.643   3.324   3.692
   45    H    GLY  69           H        GLY  69  -5.299   0.282   6.147
   46    HA2  GLY  69           HA2      GLY  69  -7.256  -0.671   6.895
   47    HA3  GLY  69           HA3      GLY  69  -7.843   0.931   7.362
   48    H    ARG  70           H        ARG  70  -7.227   1.657   4.357
   49    HA   ARG  70           HA       ARG  70  -9.898   1.339   3.322
   50    HB2  ARG  70           HB2      ARG  70  -7.272   2.321   2.141
   51    HB3  ARG  70           HB3      ARG  70  -8.678   2.106   1.116
   52    HG2  ARG  70           HG2      ARG  70  -8.462   4.417   1.796
   53    HG3  ARG  70           HG3      ARG  70  -9.980   3.730   2.396
   54    HD2  ARG  70           HD2      ARG  70  -9.126   3.589   4.648
   55    HD3  ARG  70           HD3      ARG  70  -7.483   3.927   4.082
   56    HE   ARG  70           HE       ARG  70  -9.243   6.107   3.410
   57   HH11  ARG  70          1HH1      ARG  70  -9.016   8.009   4.459
   58   HH12  ARG  70          2HH1      ARG  70  -8.457   8.059   6.125
   59   HH21  ARG  70          1HH2      ARG  70  -7.387   4.781   6.147
   60   HH22  ARG  70          2HH2      ARG  70  -7.285   6.404   6.869
   61    H    LYS  71           H        LYS  71 -10.598   0.288   1.452
   62    HA   LYS  71           HA       LYS  71  -9.480  -2.360   0.807
   63    HB2  LYS  71           HB2      LYS  71 -11.727  -0.700  -0.394
   64    HB3  LYS  71           HB3      LYS  71 -11.223  -2.263  -1.051
   65    HG2  LYS  71           HG2      LYS  71 -11.721  -3.389   1.073
   66    HG3  LYS  71           HG3      LYS  71 -12.188  -1.836   1.805
   67    HD2  LYS  71           HD2      LYS  71 -13.932  -1.564   0.050
   68    HD3  LYS  71           HD3      LYS  71 -13.548  -3.183  -0.581
   69    HE2  LYS  71           HE2      LYS  71 -14.234  -4.230   1.506
   70    HE3  LYS  71           HE3      LYS  71 -14.254  -2.666   2.324
   71    HZ1  LYS  71           HZ1      LYS  71 -16.046  -2.078   0.583
   72    HZ2  LYS  71           HZ2      LYS  71 -16.262  -3.707   0.441
   73    HZ3  LYS  71           HZ3      LYS  71 -16.444  -2.990   1.901
   74    H    PHE  72           H        PHE  72  -8.692  -2.995  -1.195
   75    HA   PHE  72           HA       PHE  72  -8.512  -1.136  -3.392
   76    HB2  PHE  72           HB2      PHE  72  -6.306  -0.885  -1.955
   77    HB3  PHE  72           HB3      PHE  72  -5.879  -2.430  -2.686
   78    HD1  PHE  72           HD1      PHE  72  -4.600  -2.307  -4.699
   79    HD2  PHE  72           HD2      PHE  72  -7.269   0.929  -3.659
   80    HE1  PHE  72           HE1      PHE  72  -3.798  -0.998  -6.648
   81    HE2  PHE  72           HE2      PHE  72  -6.492   2.196  -5.651
   82    HZ   PHE  72           HZ       PHE  72  -4.750   1.237  -7.134
   83    H    ALA  73           H        ALA  73  -7.845  -2.316  -5.461
   84    HA   ALA  73           HA       ALA  73  -9.574  -4.539  -5.529
   85    HB1  ALA  73           HB1      ALA  73  -9.460  -2.960  -7.324
   86    HB2  ALA  73           HB2      ALA  73  -7.782  -3.399  -7.684
   87    HB3  ALA  73           HB3      ALA  73  -9.085  -4.577  -7.944
   88    H    ARG  74           H        ARG  74  -6.280  -4.857  -6.916
   89    HA   ARG  74           HA       ARG  74  -5.612  -7.240  -5.407
   90    HB2  ARG  74           HB2      ARG  74  -7.360  -8.048  -7.122
   91    HB3  ARG  74           HB3      ARG  74  -6.181  -7.727  -8.375
   92    HG2  ARG  74           HG2      ARG  74  -5.862  -9.637  -6.020
   93    HG3  ARG  74           HG3      ARG  74  -6.280 -10.078  -7.661
   94    HD2  ARG  74           HD2      ARG  74  -4.028  -9.048  -8.358
   95    HD3  ARG  74           HD3      ARG  74  -3.612  -9.077  -6.623
   96    HE   ARG  74           HE       ARG  74  -4.294 -11.601  -6.847
   97   HH11  ARG  74          1HH1      ARG  74  -2.620  -9.853  -9.335
   98   HH12  ARG  74          2HH1      ARG  74  -1.879 -11.302  -9.955
   99   HH21  ARG  74          1HH2      ARG  74  -3.247 -13.411  -7.674
  100   HH22  ARG  74          2HH2      ARG  74  -2.046 -13.194  -8.913
  101    H    SER  75           H        SER  75  -4.948  -6.145  -8.728
  102    HA   SER  75           HA       SER  75  -3.441  -4.717  -9.561
  103    HB2  SER  75           HB2      SER  75  -3.405  -3.544  -6.788
  104    HB3  SER  75           HB3      SER  75  -3.357  -2.698  -8.344
  105    HG   SER  75           HG       SER  75  -5.531  -3.216  -8.651
  106    H    OUD  76           H        OUD  76  -1.777  -6.715  -9.534
  107    HA   OUD  76           HA       OUD  76   0.775  -5.708  -8.355
  108    HB3  OUD  76           HB3      OUD  76   0.494  -8.167  -8.346
  109    HB2  OUD  76           HB2      OUD  76   0.288  -8.172 -10.094
  110    HM3  OUD  76           HM3      OUD  76   1.770  -5.390 -10.559
  111    HM2  OUD  76           HM2      OUD  76   0.290  -5.944 -11.355
  112    HN2  OUD  76           HN2      OUD  76  -0.758  -3.899 -10.859
  113    H    OUE  77           H        OUE  77  -0.914  -1.803 -10.134
  114    HA   OUE  77           HA       OUE  77   1.575  -0.633  -8.985
  115    HB3  OUE  77           HB3      OUE  77   0.327   0.307 -11.134
  116    HB2  OUE  77           HB2      OUE  77  -0.788   0.994  -9.976
  117    HG3  OUE  77           HG3      OUE  77   0.812   2.710 -10.352
  118    HG2  OUE  77           HG2      OUE  77   1.318   2.042  -8.814
  119    HM2  OUE  77           HM2      OUE  77  -1.240  -0.047  -7.943
  120    HM3  OUE  77           HM3      OUE  77   0.286   0.542  -7.269
  121    HN2  OUE  77           HN2      OUE  77  -0.016  -2.358  -7.369
  122    H    OUK  78           H        OUK  78  -1.477  -3.439  -6.047
  123    HA   OUK  78           HA       OUK  78   0.119  -2.882  -3.631
  124    HB2  OUK  78           HB2      OUK  78  -0.884  -5.073  -2.716
  125    HB3  OUK  78           HB3      OUK  78  -2.078  -4.990  -4.002
  126    HG2  OUK  78           HG2      OUK  78  -2.727  -2.649  -3.031
  127    HG3  OUK  78           HG3      OUK  78  -1.708  -3.070  -1.655
  128    HD2  OUK  78           HD2      OUK  78  -3.137  -5.247  -1.441
  129    HD3  OUK  78           HD3      OUK  78  -4.181  -4.568  -2.686
  130    HE2  OUK  78           HE2      OUK  78  -5.281  -3.901  -0.686
  131    HE3  OUK  78           HE3      OUK  78  -4.337  -2.458  -1.105
  132    HZ3  OUK  78           HZ3      OUK  78  -3.891  -4.386   1.079
  133    HZ1  OUK  78           HZ1      OUK  78  -3.983  -2.721   1.120
  134    HZ2  OUK  78           HZ2      OUK  78  -2.610  -3.486   0.506
  135    HM3  OUK  78           HM3      OUK  78   1.137  -5.063  -4.091
  136    HM2  OUK  78           HM2      OUK  78  -0.055  -5.406  -5.352
  137    HN2  OUK  78           HN2      OUK  78   1.011  -3.968  -6.833
  138    H    OUR  79           H        OUR  79   2.740  -2.922  -7.657
  139    HA   OUR  79           HA       OUR  79   4.807  -1.974  -5.719
  140    HB3  OUR  79           HB3      OUR  79   5.243  -2.521  -8.694
  141    HB2  OUR  79           HB2      OUR  79   6.445  -1.947  -7.541
  142    HG3  OUR  79           HG3      OUR  79   6.273  -4.119  -6.281
  143    HG2  OUR  79           HG2      OUR  79   5.056  -4.676  -7.429
  144    HD3  OUR  79           HD3      OUR  79   6.827  -4.230  -9.296
  145    HD2  OUR  79           HD2      OUR  79   8.003  -4.088  -7.979
  146    HE   OUR  79           HE       OUR  79   7.918  -6.339  -7.625
  147   HH12  OUR  79          2HH1      OUR  79   5.966  -8.897  -9.119
  148   HH11  OUR  79          1HH1      OUR  79   7.179  -8.583  -7.936
  149   HH22  OUR  79          2HH2      OUR  79   4.441  -7.017  -9.566
  150    HM2  OUR  79           HM2      OUR  79   3.829  -0.606  -8.266
  151    HM3  OUR  79           HM3      OUR  79   4.955   0.059  -7.072
  152    HN2  OUR  79           HN2      OUR  79   2.048  -0.054  -6.935
  153   HH21  OUR  79          1HH2      OUR  79   5.259  -5.541  -9.934
  154    H    OUH  80           H        OUH  80   0.985   0.697  -5.152
  155    HA   OUH  80           HA       OUH  80   2.680   1.838  -3.003
  156    HB2  OUH  80           HB2      OUH  80   0.547   3.094  -4.154
  157    HB3  OUH  80           HB3      OUH  80   1.195   3.423  -2.574
  158    HD2  OUH  80           HD2      OUH  80  -0.387   3.203  -0.522
  159    HD1  OUH  80           HD1      OUH  80  -1.775   1.230  -3.988
  160    HE1  OUH  80           HE1      OUH  80  -3.557   1.135  -2.093
  161    HM2  OUH  80           HM2      OUH  80   0.360  -0.092  -2.546
  162    HM3  OUH  80           HM3      OUH  80   1.356   0.680  -1.293
  163    HN2  OUH  80           HN2      OUH  80   2.566  -1.083  -3.361
  164    H    OUK  81           H        OUK  81   4.070  -2.473  -2.706
  165    HA   OUK  81           HA       OUK  81   5.293  -1.728  -0.096
  166    HB2  OUK  81           HB2      OUK  81   6.685  -3.779  -0.223
  167    HB3  OUK  81           HB3      OUK  81   5.851  -4.277  -1.693
  168    HG2  OUK  81           HG2      OUK  81   3.684  -4.409  -0.396
  169    HG3  OUK  81           HG3      OUK  81   4.555  -3.956   1.071
  170    HD2  OUK  81           HD2      OUK  81   5.967  -6.035   0.850
  171    HD3  OUK  81           HD3      OUK  81   5.155  -6.420  -0.661
  172    HE2  OUK  81           HE2      OUK  81   4.123  -7.785   1.042
  173    HE3  OUK  81           HE3      OUK  81   2.943  -6.550   0.577
  174    HZ3  OUK  81           HZ3      OUK  81   3.591  -5.355   2.677
  175    HZ1  OUK  81           HZ1      OUK  81   4.550  -6.658   3.080
  176    HZ2  OUK  81           HZ2      OUK  81   2.897  -6.864   2.916
  177    HM3  OUK  81           HM3      OUK  81   7.398  -1.515  -1.264
  178    HM2  OUK  81           HM2      OUK  81   6.733  -2.248  -2.732
  179    HN2  OUK  81           HN2      OUK  81   5.605  -0.257  -3.268
  180    H    OUI  82           H        OUI  82   5.441   1.917  -3.326
  181    HA   OUI  82           HA       OUI  82   6.252   3.383  -0.848
  182    HB   OUI  82           HB       OUI  82   6.242   5.436  -2.247
  183   3HG1  OUI  82          3HG1      OUI  82   6.077   3.539  -4.659
  184   2HG1  OUI  82          2HG1      OUI  82   4.790   4.613  -4.138
  185   1HG2  OUI  82          1HG2      OUI  82   8.235   3.327  -3.228
  186   2HG2  OUI  82          2HG2      OUI  82   8.330   4.149  -1.660
  187   3HG2  OUI  82          3HG2      OUI  82   8.490   5.078  -3.147
  188   2HD1  OUI  82          2HD1      OUI  82   7.521   5.490  -5.181
  189   3HD1  OUI  82          3HD1      OUI  82   6.305   6.589  -4.505
  190   1HD1  OUI  82          1HD1      OUI  82   5.951   5.671  -5.973
  191    HM2  OUI  82           HM2      OUI  82   3.713   3.880  -2.454
  192    HM3  OUI  82           HM3      OUI  82   4.237   4.726  -0.992
  193    HN2  OUI  82           HN2      OUI  82   3.610   1.809  -1.130
  194    H    OUH  83           H        OUH  83   3.511   0.738   0.726
  195    HA   OUH  83           HA       OUH  83   2.880   2.200   3.207
  196    HB2  OUH  83           HB2      OUH  83   2.952  -0.088   4.231
  197    HB3  OUH  83           HB3      OUH  83   3.411  -0.757   2.686
  198    HD2  OUH  83           HD2      OUH  83   0.778   2.021   2.342
  199    HD1  OUH  83           HD1      OUH  83   0.933  -2.165   2.900
  200    HE1  OUH  83           HE1      OUH  83  -1.429  -1.415   2.112
  201    HM2  OUH  83           HM2      OUH  83   4.937   1.254   4.361
  202    HM3  OUH  83           HM3      OUH  83   5.176   2.629   3.275
  203    HN2  OUH  83           HN2      OUH  83   5.760   0.775   1.557
  204    H    ARG  84           H        ARG  84   7.878   0.813   0.978
  205    HA   ARG  84           HA       ARG  84   9.937   0.192   2.955
  206    HB2  ARG  84           HB2      ARG  84  10.072  -0.379   0.531
  207    HB3  ARG  84           HB3      ARG  84  10.228   1.346   0.143
  208    HG2  ARG  84           HG2      ARG  84  12.337   1.488   1.382
  209    HG3  ARG  84           HG3      ARG  84  12.110  -0.152   2.011
  210    HD2  ARG  84           HD2      ARG  84  12.180  -0.974  -0.388
  211    HD3  ARG  84           HD3      ARG  84  12.674   0.664  -0.867
  212    HE   ARG  84           HE       ARG  84  14.585   0.357   0.822
  213   HH11  ARG  84          1HH1      ARG  84  16.137  -0.926   1.409
  214   HH12  ARG  84          2HH1      ARG  84  16.431  -2.476   0.641
  215   HH21  ARG  84          1HH2      ARG  84  13.578  -2.219  -1.304
  216   HH22  ARG  84          2HH2      ARG  84  14.895  -3.255  -0.796
  217    H    LYS  85           H        LYS  85   8.520   3.145   1.814
  218    HA   LYS  85           HA       LYS  85   9.789   4.528   4.063
  219    HB2  LYS  85           HB2      LYS  85  11.208   5.342   2.315
  220    HB3  LYS  85           HB3      LYS  85   9.826   5.746   1.268
  221    HG2  LYS  85           HG2      LYS  85   9.078   7.439   2.821
  222    HG3  LYS  85           HG3      LYS  85  10.264   6.938   4.035
  223    HD2  LYS  85           HD2      LYS  85  12.075   7.866   2.726
  224    HD3  LYS  85           HD3      LYS  85  10.989   8.122   1.337
  225    HE2  LYS  85           HE2      LYS  85  11.397  10.229   2.645
  226    HE3  LYS  85           HE3      LYS  85   9.704   9.763   2.477
  227    HZ1  LYS  85           HZ1      LYS  85   9.632   9.009   4.709
  228    HZ2  LYS  85           HZ2      LYS  85  11.254   9.142   4.923
  229    HZ3  LYS  85           HZ3      LYS  85  10.296  10.483   4.739
  230    H    ASP  86           H        ASP  86   8.621   5.857   5.106
  231    HA   ASP  86           HA       ASP  86   5.883   6.631   4.281
  232    HB2  ASP  86           HB2      ASP  86   6.159   4.819   6.122
  233    HB3  ASP  86           HB3      ASP  86   6.731   6.097   7.149
  234    H1   HOH 201           H1       HOH  66  -2.188  -3.879  12.274
  235    H2   HOH 201           H2       HOH  66  -2.811  -4.463  11.019
  236    H1   HOH 202           H1       HOH 180   1.769   0.907 -14.398
  237    H2   HOH 202           H2       HOH 180   1.617   1.195 -12.920
  238    H1   HOH 203           H1       HOH 167  -4.278   2.746   1.525
  239    H2   HOH 203           H2       HOH 167  -4.852   2.318   0.187
  240    H1   HOH 204           H1       HOH  91   5.165   4.418   8.403
  241    H2   HOH 204           H2       HOH  91   6.661   4.318   8.597
  242    H1   HOH 205           H1       HOH  93   2.370   5.674   9.806
  243    H2   HOH 205           H2       HOH  93   2.911   5.032   8.549
  244    H1   HOH 206           H1       HOH  43  -0.254  -6.413   7.846
  245    H2   HOH 206           H2       HOH  43  -0.782  -7.793   7.540
  246    H1   HOH 207           H1       HOH  72   0.625  -5.531   9.625
  247    H2   HOH 207           H2       HOH  72   1.498  -5.433  10.859
  248    H1   HOH 208           H1       HOH  51  -4.470  -4.704   9.181
  249    H2   HOH 208           H2       HOH  51  -5.427  -4.190   8.124
  250    H1   HOH 209           H1       HOH  55   3.044  -7.424  -6.787
  251    H2   HOH 209           H2       HOH  55   3.018  -6.233  -5.853
  252    H1   HOH 210           H1       HOH 194   5.115   1.657  -9.198
  253    H2   HOH 210           H2       HOH 194   6.408   1.457  -9.958
  254    H1   HOH 211           H1       HOH 155   3.803  -6.698 -12.992
  255    H2   HOH 211           H2       HOH 155   3.336  -6.651 -11.553
  256    H1   HOH 212           H1       HOH 188  -6.709  -1.916 -10.061
  257    H2   HOH 212           H2       HOH 188  -5.810  -2.916 -10.770
  258    H1   HOH 213           H1       HOH  33   4.539 -10.314 -10.092
  259    H2   HOH 213           H2       HOH  33   4.039  -8.987 -10.623
  260    H1   HOH 214           H1       HOH  99  -2.343   2.601   9.338
  261    H2   HOH 214           H2       HOH  99  -2.601   1.838  10.616
  262    H1   HOH 215           H1       HOH   8 -11.946  -7.827   2.118
  263    H2   HOH 215           H2       HOH   8 -11.256  -8.232   0.828
  264    H1   HOH 216           H1       HOH  95  -4.210  -0.162  11.142
  265    H2   HOH 216           H2       HOH  95  -3.693   0.240   9.779
  266    H1   HOH 217           H1       HOH 140 -18.658  -4.109   0.735
  267    H2   HOH 217           H2       HOH 140 -18.133  -5.521   0.907
  268    H1   HOH 218           H1       HOH  38  -0.696  -5.268   0.167
  269    H2   HOH 218           H2       HOH  38  -0.594  -4.960   1.644
  270    H1   HOH 219           H1       HOH 123  13.391  -1.127  -3.277
  271    H2   HOH 219           H2       HOH 123  12.053  -1.791  -3.539
  272    H1   HOH 220           H1       HOH 109  16.082  -4.815  -2.284
  273    H2   HOH 220           H2       HOH 109  16.237  -5.372  -0.883
  274    H1   HOH 221           H1       HOH  26  -3.601 -15.903  -6.600
  275    H2   HOH 221           H2       HOH  26  -3.578 -15.567  -8.076
  276    H1   HOH 222           H1       HOH 193   5.900   6.199   1.428
  277    H2   HOH 222           H2       HOH 193   5.904   7.145   0.240
  278    H1   HOH 223           H1       HOH   4 -11.817 -11.142  -4.443
  279    H2   HOH 223           H2       HOH   4 -12.449 -10.330  -5.557
  280    H1   HOH 224           H1       HOH  32  -2.475 -11.270 -12.341
  281    H2   HOH 224           H2       HOH  32  -3.350 -12.189 -11.516
  282    H1   HOH 225           H1       HOH  70  -3.929  -2.835  11.503
  283    H2   HOH 225           H2       HOH  70  -3.741  -2.009  10.247
  284    H1   HOH 226           H1       HOH  82   6.293  -5.299   3.668
  285    H2   HOH 226           H2       HOH  82   7.235  -6.277   2.995
  286    H1   HOH 227           H1       HOH 153  -9.559   9.896   7.969
  287    H2   HOH 227           H2       HOH 153  -8.979   8.520   8.222
  288    H1   HOH 228           H1       HOH 122  15.470   1.133   3.220
  289    H2   HOH 228           H2       HOH 122  16.821   0.812   2.616
  290    H1   HOH 229           H1       HOH 192  -9.795   9.164   2.290
  291    H2   HOH 229           H2       HOH 192  -8.469   8.482   2.546
  292    H1   HOH 230           H1       HOH  41   7.903  -2.343   5.109
  293    H2   HOH 230           H2       HOH  41   7.359  -1.337   4.117
  294    H1   HOH 231           H1       HOH   6 -15.859  -3.761   3.944
  295    H2   HOH 231           H2       HOH   6 -17.304  -3.581   4.351
  296    H1   HOH 232           H1       HOH  49  -2.008  -6.979   9.136
  297    H2   HOH 232           H2       HOH  49  -3.259  -7.824   9.023
  298    H1   HOH 233           H1       HOH  22  -0.338 -14.173 -10.547
  299    H2   HOH 233           H2       HOH  22  -1.570 -13.482 -11.097
  300    H1   HOH 234           H1       HOH 114  17.455  -4.195   1.417
  301    H2   HOH 234           H2       HOH 114  18.322  -3.753   0.251
  302    H1   HOH 235           H1       HOH 132 -17.191  -0.580  -1.276
  303    H2   HOH 235           H2       HOH 132 -15.735  -0.173  -1.177
  304    H1   HOH 236           H1       HOH  36  -6.684 -12.338  -6.383
  305    H2   HOH 236           H2       HOH  36  -5.772 -13.402  -5.808
  306    H1   HOH 237           H1       HOH  40   5.548  -8.613   3.947
  307    H2   HOH 237           H2       HOH  40   4.457  -8.749   4.988
  308    H1   HOH 238           H1       HOH  85   6.997  -9.549  -6.062
  309    H2   HOH 238           H2       HOH  85   7.956 -10.560  -6.666
  310    H1   HOH 239           H1       HOH   2 -13.267 -10.577  -1.166
  311    H2   HOH 239           H2       HOH   2 -13.095 -11.178  -2.546
  312    H1   HOH 240           H1       HOH  58   1.792  -8.753   1.772
  313    H2   HOH 240           H2       HOH  58   0.456  -8.555   2.455
  314    H1   HOH 241           H1       HOH 159  -6.411  -6.556 -10.951
  315    H2   HOH 241           H2       HOH 159  -5.174  -7.426 -10.840
  316    H1   HOH 242           H1       HOH  46   2.261  -5.368   4.700
  317    H2   HOH 242           H2       HOH  46   0.806  -5.775   4.775
  318    H1   HOH 243           H1       HOH  67   3.397  -6.166   6.363
  319    H2   HOH 243           H2       HOH  67   4.665  -5.832   5.604
  320    H1   HOH 244           H1       HOH 107  15.095   3.122   0.435
  321    H2   HOH 244           H2       HOH 107  14.717   2.488  -0.886
  322    H1   HOH 245           H1       HOH 185   2.593   6.851   2.081
  323    H2   HOH 245           H2       HOH 185   3.584   6.679   0.951
  324    H1   HOH 246           H1       HOH 163   1.753  -4.002 -12.458
  325    H2   HOH 246           H2       HOH 163   1.960  -3.181 -13.711
  326    H1   HOH 247           H1       HOH  10 -14.661  -7.902  -0.242
  327    H2   HOH 247           H2       HOH  10 -13.243  -8.056   0.273
  328    H1   HOH 248           H1       HOH 142 -14.620  -0.568   3.835
  329    H2   HOH 248           H2       HOH 142 -15.866  -1.419   3.678
  330    H1   HOH 249           H1       HOH 116  16.823   1.432  -0.186
  331    H2   HOH 249           H2       HOH 116  17.950   1.019   0.739
  332    H1   HOH 250           H1       HOH 152 -10.207   4.738   8.094
  333    H2   HOH 250           H2       HOH 152  -9.645   6.124   8.339
  334    H1   HOH 251           H1       HOH 157  -1.560  -5.174 -13.172
  335    H2   HOH 251           H2       HOH 157  -1.624  -3.668 -13.034
  336    H1   HOH 252           H1       HOH 151  -7.851   6.719   9.918
  337    H2   HOH 252           H2       HOH 151  -7.346   7.425   8.675
  338    H1   HOH 253           H1       HOH 100  11.443   3.731   5.413
  339    H2   HOH 253           H2       HOH 100  12.167   5.061   5.415
  340    H1   HOH 254           H1       HOH 199   6.030  11.735   5.166
  341    H2   HOH 254           H2       HOH 199   4.911  11.349   4.219
  342    H1   HOH 255           H1       HOH  53   5.897  -3.131   3.940
  343    H2   HOH 255           H2       HOH  53   4.650  -3.458   4.732
  344    H1   HOH 256           H1       HOH 162  -5.062 -10.009 -10.818
  345    H2   HOH 256           H2       HOH 162  -4.043  -9.276 -11.666
  346    H1   HOH 257           H1       HOH  74   5.906  -8.250  -4.750
  347    H2   HOH 257           H2       HOH  74   4.644  -8.180  -5.587
  348    H1   HOH 258           H1       HOH  24   0.696 -12.434  -6.068
  349    H2   HOH 258           H2       HOH  24  -0.682 -12.949  -5.726
  350    H1   HOH 259           H1       HOH  21  -5.779 -11.967 -10.482
  351    H2   HOH 259           H2       HOH  21  -5.039 -13.233 -10.859
  352    H1   HOH 260           H1       HOH 104   7.856 -11.891  -8.424
  353    H2   HOH 260           H2       HOH 104   7.398 -11.337  -9.762
  354    H1   HOH 261           H1       HOH 149 -10.311   2.446  -1.002
  355    H2   HOH 261           H2       HOH 149 -10.973   3.608  -0.288
  356    H1   HOH 262           H1       HOH 134 -15.178  -3.035  -3.232
  357    H2   HOH 262           H2       HOH 134 -15.885  -2.428  -2.037
  358    H1   HOH 263           H1       HOH   3 -14.751  -9.966  -3.298
  359    H2   HOH 263           H2       HOH   3 -15.996  -9.204  -3.716
  360    H1   HOH 264           H1       HOH 113  15.924  -5.852   2.466
  361    H2   HOH 264           H2       HOH 113  15.357  -4.449   2.500
  362    H1   HOH 265           H1       HOH 187  -6.188   9.001   3.266
  363    H2   HOH 265           H2       HOH 187  -6.323   9.624   1.894
  364    H1   HOH 266           H1       HOH  69  -4.866  -7.231  10.551
  365    H2   HOH 266           H2       HOH  69  -5.231  -6.553   9.249
  366    H1   HOH 267           H1       HOH 129 -12.595   2.459   3.527
  367    H2   HOH 267           H2       HOH 129 -13.121   1.679   2.335
  368    H1   HOH 268           H1       HOH  20  -2.308 -15.435  -9.944
  369    H2   HOH 268           H2       HOH  20  -2.473 -16.940  -9.910
  370    H1   HOH 269           H1       HOH 115  13.916  -3.015   4.563
  371    H2   HOH 269           H2       HOH 115  15.189  -2.702   3.806
  372    H1   HOH 270           H1       HOH 145 -12.411   2.350   6.037
  373    H2   HOH 270           H2       HOH 145 -12.290   2.082   7.523
  374    H1   HOH 271           H1       HOH 147 -10.674   1.660  -3.883
  375    H2   HOH 271           H2       HOH 147 -10.820   0.405  -4.716
  376    H1   HOH 272           H1       HOH 174  -9.286   0.163  -6.610
  377    H2   HOH 272           H2       HOH 174 -10.606  -0.517  -6.902
  378    H1   HOH 273           H1       HOH 103   6.485 -10.177 -11.304
  379    H2   HOH 273           H2       HOH 103   7.385 -10.848 -12.322
  380    H1   HOH 274           H1       HOH 119  17.538  -2.003   3.831
  381    H2   HOH 274           H2       HOH 119  17.075  -2.050   5.271
  382    H1   HOH 275           H1       HOH 131 -19.576  -2.280   2.249
  383    H2   HOH 275           H2       HOH 131 -20.581  -2.960   1.346
  384    H1   HOH 276           H1       HOH 136 -11.184   6.997   2.176
  385    H2   HOH 276           H2       HOH 136 -12.606   6.762   2.638
  386    H1   HOH 277           H1       HOH  13 -12.303 -10.100   0.866
  387    H2   HOH 277           H2       HOH  13 -13.087 -11.353   1.201
  388    H1   HOH 278           H1       HOH   7 -15.358  -5.636   4.138
  389    H2   HOH 278           H2       HOH   7 -14.045  -5.181   4.751
  390    H1   HOH 279           H1       HOH 177   0.832   6.091  -1.501
  391    H2   HOH 279           H2       HOH 177   2.167   6.212  -0.793
  392    H1   HOH 280           H1       HOH 143 -12.497   0.332   4.059
  393    H2   HOH 280           H2       HOH 143 -12.779   0.047   5.517
  394    H1   HOH 281           H1       HOH 111  18.296  -0.429  -1.104
  395    H2   HOH 281           H2       HOH 111  19.464  -0.468  -2.066
  396    H1   HOH 282           H1       HOH  80  -4.824  -6.597  13.057
  397    H2   HOH 282           H2       HOH  80  -4.104  -5.668  12.103
  398    H1   HOH 283           H1       HOH 190  -0.078   2.334 -13.326
  399    H2   HOH 283           H2       HOH 190   0.145   3.750 -12.843
  400    H1   HOH 284           H1       HOH 139 -11.452   5.717   6.609
  401    H2   HOH 284           H2       HOH 139 -12.540   6.669   6.165
  402    H1   HOH 285           H1       HOH 144  -9.445   2.587   8.979
  403    H2   HOH 285           H2       HOH 144 -10.213   2.280   7.709
  404    H1   HOH 286           H1       HOH 120  18.754  -2.370   2.235
  405    H2   HOH 286           H2       HOH 120  19.953  -2.173   3.138
  406    H1   HOH 287           H1       HOH  79   9.314  -1.534   6.969
  407    H2   HOH 287           H2       HOH  79   8.357  -2.632   7.376
  408    H1   HOH 288           H1       HOH  31   4.384 -10.171  -6.137
  409    H2   HOH 288           H2       HOH  31   3.914 -11.025  -7.297
  410    H1   HOH 289           H1       HOH  92   0.419   4.704   9.288
  411    H2   HOH 289           H2       HOH  92  -0.794   3.926   9.767
  412    H1   HOH 290           H1       HOH  45   2.460  -6.448   8.610
  413    H2   HOH 290           H2       HOH  45   1.635  -7.099   7.521
  414    H1   HOH 291           H1       HOH  27  -7.724 -10.615  -9.945
  415    H2   HOH 291           H2       HOH  27  -7.543 -11.648  -8.852
  416    H1   HOH 292           H1       HOH 173  -5.650   4.369  -0.529
  417    H2   HOH 292           H2       HOH 173  -6.718   3.543  -1.209
  418    H1   HOH 293           H1       HOH 112  12.660  -2.988   2.925
  419    H2   HOH 293           H2       HOH 112  12.073  -2.747   1.551
  420    H1   HOH 294           H1       HOH 164  -2.067  -9.146 -12.894
  421    H2   HOH 294           H2       HOH 164  -3.128  -9.521 -13.909
  422    H1   HOH 295           H1       HOH 154  -3.725  -4.139 -12.136
  423    H2   HOH 295           H2       HOH 154  -4.841  -4.896 -11.444
  424    H1   HOH 296           H1       HOH  68   2.764 -10.355   1.401
  425    H2   HOH 296           H2       HOH  68   3.430 -10.053   0.073
  426    H1   HOH 297           H1       HOH 165   0.272  -8.486 -12.405
  427    H2   HOH 297           H2       HOH 165  -0.418  -7.480 -13.302
  428    H1   HOH 298           H1       HOH  35   5.396 -11.721  -8.873
  429    H2   HOH 298           H2       HOH  35   4.154 -12.576  -9.034
  430    H1   HOH 299           H1       HOH 160   0.520  -5.254 -13.843
  431    H2   HOH 299           H2       HOH 160   0.025  -6.000 -15.064
  432    H1   HOH 300           H1       HOH  25  -4.426 -15.412 -10.320
  433    H2   HOH 300           H2       HOH  25  -5.718 -15.650 -11.072
  434    H1   HOH 301           H1       HOH 117  18.816  -0.077   2.664
  435    H2   HOH 301           H2       HOH 117  19.349   1.334   2.811
  436    H1   HOH 302           H1       HOH 106  14.609  -5.057  -3.946
  437    H2   HOH 302           H2       HOH 106  13.845  -5.137  -2.645
  438    H1   HOH 303           H1       HOH  77   6.050   0.383   7.092
  439    H2   HOH 303           H2       HOH  77   5.187   0.269   8.327
  440    H1   HOH 304           H1       HOH 195  -8.956   3.368  -3.365
  441    H2   HOH 304           H2       HOH 195  -9.207   3.484  -4.852
  442    H1   HOH 305           H1       HOH 108  18.666  -2.745  -1.552
  443    H2   HOH 305           H2       HOH 108  19.434  -3.984  -1.961
  444    H1   HOH 306           H1       HOH 133 -17.508  -5.282  -1.278
  445    H2   HOH 306           H2       HOH 133 -16.489  -4.814  -2.296
  446    H1   HOH 307           H1       HOH  98  11.433   5.908   7.355
  447    H2   HOH 307           H2       HOH  98  10.891   6.854   8.409
  448    H1   HOH 308           H1       HOH  94  -0.190  -2.214  12.390
  449    H2   HOH 308           H2       HOH  94  -0.757  -2.687  13.710
  450    H1   HOH 309           H1       HOH  87   8.759   7.545   9.015
  451    H2   HOH 309           H2       HOH  87   9.278   7.179  10.389
  452    H1   HOH 310           H1       HOH  81  -5.175 -11.284  -4.012
  453    H2   HOH 310           H2       HOH  81  -6.324 -10.369  -3.656
  454    H1   HOH 311           H1       HOH 130 -15.378   1.446   1.110
  455    H2   HOH 311           H2       HOH 130 -14.855   0.431   2.104
  456    H1   HOH 312           H1       HOH 128 -14.711 -10.669  -6.988
  457    H2   HOH 312           H2       HOH 128 -14.548 -10.162  -5.570
  458    H1   HOH 313           H1       HOH  19 -11.316 -11.885  -0.406
  459    H2   HOH 313           H2       HOH  19 -10.153 -12.857  -0.353
  460    H1   HOH 314           H1       HOH 186  -6.463   0.229  -9.812
  461    H2   HOH 314           H2       HOH 186  -7.942   0.382 -10.097
  462    H1   HOH 315           H1       HOH  61  -1.116 -11.643  -3.221
  463    H2   HOH 315           H2       HOH  61  -0.275 -11.414  -4.460
  464    H1   HOH 316           H1       HOH 127  14.107   6.423   4.194
  465    H2   HOH 316           H2       HOH 127  12.932   6.946   4.992
  466    H1   HOH 317           H1       HOH 171  -1.218   7.269  -1.273
  467    H2   HOH 317           H2       HOH 171  -0.693   6.464  -0.103
  468    H1   HOH 318           H1       HOH  86  -6.068  -2.404  10.696
  469    H2   HOH 318           H2       HOH  86  -6.461  -3.705  10.035
  470    H1   HOH 319           H1       HOH 161  -9.035  -6.036 -10.002
  471    H2   HOH 319           H2       HOH 161 -10.345  -6.432  -9.351
  472    H1   HOH 320           H1       HOH   5 -11.523 -12.509  -2.488
  473    H2   HOH 320           H2       HOH   5 -12.352 -13.376  -3.413
  474    H1   HOH 321           H1       HOH 168  -8.386   5.361  -2.150
  475    H2   HOH 321           H2       HOH 168  -8.879   4.071  -1.527
  476    H1   HOH 322           H1       HOH  16  -8.690   0.658  10.241
  477    H2   HOH 322           H2       HOH  16  -7.645   1.738  10.417
  478    H1   HOH 323           H1       HOH  23   1.857 -15.272  -7.397
  479    H2   HOH 323           H2       HOH  23   0.791 -14.199  -7.465
  480    H1   HOH 324           H1       HOH 156  -8.558  -4.259 -11.585
  481    H2   HOH 324           H2       HOH 156  -7.666  -4.067 -10.380
  482    H1   HOH 325           H1       HOH  89   1.893   2.235  10.976
  483    H2   HOH 325           H2       HOH  89   2.557   3.329  10.162
  484    H1   HOH 326           H1       HOH 197   3.228  12.173   7.414
  485    H2   HOH 326           H2       HOH 197   4.389  11.672   6.584
  486    H1   HOH 327           H1       HOH  56   2.337 -10.853   3.816
  487    H2   HOH 327           H2       HOH  56   3.644 -10.188   3.437
  488    H1   HOH 328           H1       HOH  59   0.626  -8.159  -1.348
  489    H2   HOH 328           H2       HOH  59   1.845  -8.663  -0.600
  490    H1   HOH 329           H1       HOH  34  -8.980 -11.470  -6.932
  491    H2   HOH 329           H2       HOH  34  -8.877 -12.874  -7.488
  492    H1   HOH 330           H1       HOH 191   7.670   7.931  -1.437
  493    H2   HOH 330           H2       HOH 191   6.326   8.363  -1.978
  494    H1   HOH 331           H1       HOH 198  -2.392   6.921   9.957
  495    H2   HOH 331           H2       HOH 198  -1.727   5.991   8.966
  496    H1   HOH 332           H1       HOH  14 -17.409  -6.534   3.285
  497    H2   HOH 332           H2       HOH  14 -17.557  -6.747   4.777
  498    H1   HOH 333           H1       HOH 179   1.962   5.669  -3.408
  499    H2   HOH 333           H2       HOH 179   2.408   6.476  -4.611
  500    H1   HOH 334           H1       HOH 166  -2.955   5.232  -6.622
  501    H2   HOH 334           H2       HOH 166  -2.556   5.211  -5.163
  502    H1   HOH 335           H1       HOH  97   5.422   2.238   9.373
  503    H2   HOH 335           H2       HOH  97   4.154   1.768  10.056
  504    H1   HOH 336           H1       HOH 172   0.912   6.643   1.266
  505    H2   HOH 336           H2       HOH 172  -0.086   6.649   2.404
  506    H1   HOH 337           H1       HOH 105  16.727  -3.941  -4.370
  507    H2   HOH 337           H2       HOH 105  16.932  -5.413  -4.656
  508    H1   HOH 338           H1       HOH   9 -11.978  -6.343   4.091
  509    H2   HOH 338           H2       HOH   9 -13.083  -5.943   3.142
  510    H1   HOH 339           H1       HOH  12 -18.792  -7.784   1.737
  511    H2   HOH 339           H2       HOH  12 -17.463  -7.468   1.081
  512    H1   HOH 340           H1       HOH  37   1.468  -8.879   4.330
  513    H2   HOH 340           H2       HOH  37   1.230  -9.065   5.815
  514    H1   HOH 341           H1       HOH 101   9.890   0.520   8.041
  515    H2   HOH 341           H2       HOH 101  10.956  -0.409   8.578
  516    H1   HOH 342           H1       HOH  73   2.210  -8.066  -4.544
  517    H2   HOH 342           H2       HOH  73   1.835  -8.234  -3.083
  518    H1   HOH 343           H1       HOH  54   3.716  -8.054   7.138
  519    H2   HOH 343           H2       HOH  54   4.739  -9.126   7.456
  520    H1   HOH 344           H1       HOH 141 -15.608  -5.199  -6.083
  521    H2   HOH 344           H2       HOH 141 -14.722  -4.173  -5.410
  522    H1   HOH 345           H1       HOH  83  10.076  -3.427   2.777
  523    H2   HOH 345           H2       HOH  83   8.653  -3.245   3.272
  524    H1   HOH 346           H1       HOH  18  -7.561  -5.024   8.539
  525    H2   HOH 346           H2       HOH  18  -8.240  -3.729   8.928
  526    H1   HOH 347           H1       HOH 148 -12.551  -0.096  -3.375
  527    H2   HOH 347           H2       HOH 148 -13.810   0.102  -2.556
  528    H1   HOH 348           H1       HOH 137 -12.659   4.368   5.144
  529    H2   HOH 348           H2       HOH 137 -14.024   3.725   5.034
  530    H1   HOH 349           H1       HOH 102   9.456 -13.057  -7.029
  531    H2   HOH 349           H2       HOH 102   9.933 -11.625  -7.165
  532    H1   HOH 350           H1       HOH 138 -12.176   4.803   1.275
  533    H2   HOH 350           H2       HOH 138 -12.214   3.320   1.590
  534    H1   HOH 351           H1       HOH 121   9.314  -9.061  -5.607
  535    H2   HOH 351           H2       HOH 121   9.833  -8.039  -4.616
  536    H1   HOH 352           H1       HOH  30   2.223 -11.040  -5.581
  537    H2   HOH 352           H2       HOH  30   1.422 -10.125  -4.678
  538    H1   HOH 353           H1       HOH  44   9.478  -6.790   2.346
  539    H2   HOH 353           H2       HOH  44   8.928  -5.385   2.205
  540    H1   HOH 354           H1       HOH   1 -18.107  -8.182  -3.603
  541    H2   HOH 354           H2       HOH   1 -17.235  -7.176  -2.879
  542    H1   HOH 355           H1       HOH  42   6.818  -8.241  -2.732
  543    H2   HOH 355           H2       HOH  42   7.253  -6.795  -2.833
  544    H1   HOH 356           H1       HOH 135 -14.930   2.078  -2.066
  545    H2   HOH 356           H2       HOH 135 -14.187   1.607  -0.832
  546    H1   HOH 357           H1       HOH  15 -16.554  -7.024  -0.892
  547    H2   HOH 357           H2       HOH  15 -16.767  -8.512  -1.052
  548    H1   HOH 358           H1       HOH  48  -1.904  -8.827  -1.918
  549    H2   HOH 358           H2       HOH  48  -0.803  -8.634  -2.943
  550    H1   HOH 359           H1       HOH  57   4.815  -1.740   6.900
  551    H2   HOH 359           H2       HOH  57   4.024  -2.886   7.492
  552    H1   HOH 360           H1       HOH  88  -0.488   1.902  11.047
  553    H2   HOH 360           H2       HOH  88   0.017   2.079  12.463
  554    H1   HOH 361           H1       HOH 184  -5.184   2.116  -9.424
  555    H2   HOH 361           H2       HOH 184  -4.400   1.511 -10.568
  556    H1   HOH 362           H1       HOH  29  -2.859 -13.369  -3.685
  557    H2   HOH 362           H2       HOH  29  -2.770 -12.761  -2.303
  558    H1   HOH 363           H1       HOH  96   0.800  -0.037  11.831
  559    H2   HOH 363           H2       HOH  96   1.979  -0.988  11.843
  560    H1   HOH 364           H1       HOH 150 -13.065  -3.030  -8.054
  561    H2   HOH 364           H2       HOH 150 -13.450  -3.938  -6.906
  562    H1   HOH 365           H1       HOH 124  10.692  -1.795  -5.804
  563    H2   HOH 365           H2       HOH 124  11.092  -2.987  -4.958
  564    H1   HOH 366           H1       HOH 125  12.688  -8.637  -9.356
  565    H2   HOH 366           H2       HOH 125  11.417  -9.287  -9.858
  566    H1   HOH 367           H1       HOH  47  -4.166  -9.909  -2.418
  567    H2   HOH 367           H2       HOH  47  -4.031  -9.608  -0.940
  568    H1   HOH 368           H1       HOH  52   4.818 -11.408  -1.259
  569    H2   HOH 368           H2       HOH  52   5.659 -10.159  -1.105
  570    H1   HOH 369           H1       HOH  17  -8.057  -1.655  10.583
  571    H2   HOH 369           H2       HOH  17  -9.229  -1.431  11.515
  572    H1   HOH 370           H1       HOH 126  11.619  -5.331  -5.752
  573    H2   HOH 370           H2       HOH 126  12.231  -4.846  -4.455
  574    H1   HOH 371           H1       HOH 181   2.271   6.974  -6.649
  575    H2   HOH 371           H2       HOH 181   1.996   5.487  -6.684
  576    H1   HOH 372           H1       HOH 110  11.053  -9.963  -6.197
  577    H2   HOH 372           H2       HOH 110  11.556 -10.008  -7.626
  578    H1   HOH 373           H1       HOH 158  -9.158  -9.281 -11.127
  579    H2   HOH 373           H2       HOH 158  -8.950  -8.388  -9.923
  580    H1   HOH 374           H1       HOH  28  -8.080 -13.253  -0.876
  581    H2   HOH 374           H2       HOH  28  -8.639 -12.694  -2.164
  582    H1   HOH 375           H1       HOH 176   3.617   6.688  -8.146
  583    H2   HOH 375           H2       HOH 176   4.461   6.697  -9.402
  584    H1   HOH 376           H1       HOH 169  -5.020   4.850  -5.538
  585    H2   HOH 376           H2       HOH 169  -6.011   4.755  -4.399
  586    H1   HOH 377           H1       HOH 118   8.973  -5.387  -1.539
  587    H2   HOH 377           H2       HOH 118   8.432  -6.101  -0.318
  588    H1   HOH 378           H1       HOH 178  -2.125   2.942 -12.392
  589    H2   HOH 378           H2       HOH 178  -3.444   2.506 -12.989
  590    H1   HOH 379           H1       HOH 146 -13.843  -1.832  -4.094
  591    H2   HOH 379           H2       HOH 146 -13.661  -2.493  -5.444
  592    H1   HOH 380           H1       HOH  84  -8.770 -14.500   0.968
  593    H2   HOH 380           H2       HOH  84  -8.583 -13.056   1.377
  594    H1   HOH 381           H1       HOH  11 -12.627  -6.034   6.687
  595    H2   HOH 381           H2       HOH  11 -12.050  -4.757   6.118
  596    H1   HOH 382           H1       HOH  39  -0.445  -9.945   4.228
  597    H2   HOH 382           H2       HOH  39  -1.901 -10.369   4.200
  598    H1   HOH 383           H1       HOH  78  -8.544 -12.148   3.613
  599    H2   HOH 383           H2       HOH  78  -7.145 -12.025   3.058
  600    H1   HOH 384           H1       HOH 182  -1.239   5.557  -8.369
  601    H2   HOH 384           H2       HOH 182  -2.579   5.186  -8.970
  602    H1   HOH 385           H1       HOH  75   7.856  -9.284  -0.909
  603    H2   HOH 385           H2       HOH  75   7.913 -10.106  -2.179
  604    H1   HOH 386           H1       HOH  71  -2.353 -10.923  -1.545
  605    H2   HOH 386           H2       HOH  71  -1.264 -11.346  -0.582
  606    H1   HOH 387           H1       HOH  76  -1.286 -11.943   1.354
  607    H2   HOH 387           H2       HOH  76  -1.122 -10.589   2.013
  608    H1   HOH 388           H1       HOH 189  -5.248   4.086  -7.764
  609    H2   HOH 388           H2       HOH 189  -4.575   4.131  -9.121
  610    H1   HOH 389           H1       HOH 196   2.759   8.875  -4.884
  611    H2   HOH 389           H2       HOH 196   3.836   8.206  -5.710
  612    H1   HOH 390           H1       HOH  63  -5.545 -12.759   4.139
  613    H2   HOH 390           H2       HOH  63  -4.872 -11.424   4.371
  614    H1   HOH 391           H1       HOH 183  -3.695   5.581 -11.086
  615    H2   HOH 391           H2       HOH 183  -3.326   4.117 -10.986
  616    H1   HOH 392           H1       HOH 175   5.783   8.937  -4.552
  617    H2   HOH 392           H2       HOH 175   7.168   9.248  -4.027
  618    H1   HOH 393           H1       HOH  65  -4.634 -13.650  -1.648
  619    H2   HOH 393           H2       HOH  65  -6.109 -13.444  -1.372
  620    H1   HOH 394           H1       HOH  64  -2.975 -12.189   5.491
  621    H2   HOH 394           H2       HOH  64  -3.258 -10.853   6.142
  622    H1   HOH 395           H1       HOH  90   4.634  -0.018  10.686
  623    H2   HOH 395           H2       HOH  90   5.110  -0.624  11.987
  624    H1   HOH 396           H1       HOH 170   6.298   8.793  -6.693
  625    H2   HOH 396           H2       HOH 170   5.088   8.062  -7.239
  626    H1   HOH 397           H1       HOH  60  -1.143 -14.418   0.507
  627    H2   HOH 397           H2       HOH  60  -1.796 -13.257  -0.212
  628    H1   HOH 398           H1       HOH  62  -3.387 -14.078   1.350
  629    H2   HOH 398           H2       HOH  62  -4.755 -14.111   0.701
  630    H1   HOH 399           H1       HOH  50  -4.856 -14.413   3.131
  631    H2   HOH 399           H2       HOH  50  -5.330 -15.379   4.198