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CUDA port for AEV computation (#516)  
akkamesh committed
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ATOM      1  N   GLY A  41      -3.459  13.998  -0.979  1.00  0.00           N  
ATOM      2  CA  GLY A  41      -2.157  13.968  -0.291  1.00  0.00           C  
ATOM      3  C   GLY A  41      -2.259  13.095   0.944  1.00  0.00           C  
ATOM      4  O   GLY A  41      -2.192  13.587   2.068  1.00  0.00           O  
ATOM      5  H1  GLY A  41      -3.373  14.477  -1.863  1.00  0.00           H  
ATOM      6  H2  GLY A  41      -4.136  14.469  -0.394  1.00  0.00           H  
ATOM      7  H3  GLY A  41      -3.765  13.049  -1.139  1.00  0.00           H  
ATOM      8  HA2 GLY A  41      -1.402  13.552  -0.958  1.00  0.00           H  
ATOM      9  HA3 GLY A  41      -1.873  14.981  -0.003  1.00  0.00           H  
ATOM     10  N   GLU A  42      -2.470  11.799   0.719  1.00  0.00           N  
ATOM     11  CA  GLU A  42      -2.813  10.817   1.749  1.00  0.00           C  
ATOM     12  C   GLU A  42      -2.404   9.392   1.328  1.00  0.00           C  
ATOM     13  O   GLU A  42      -1.866   9.184   0.236  1.00  0.00           O  
ATOM     14  CB  GLU A  42      -4.318  10.954   2.061  1.00  0.00           C  
ATOM     15  CG  GLU A  42      -5.262  10.659   0.879  1.00  0.00           C  
ATOM     16  CD  GLU A  42      -5.618   9.175   0.790  1.00  0.00           C  
ATOM     17  OE1 GLU A  42      -6.447   8.739   1.615  1.00  0.00           O  
ATOM     18  OE2 GLU A  42      -5.047   8.495  -0.089  1.00  0.00           O  
ATOM     19  H   GLU A  42      -2.409  11.463  -0.239  1.00  0.00           H  
ATOM     20  HA  GLU A  42      -2.262  11.066   2.659  1.00  0.00           H  
ATOM     21  HB2 GLU A  42      -4.578  10.313   2.904  1.00  0.00           H  
ATOM     22  HB3 GLU A  42      -4.503  11.978   2.385  1.00  0.00           H  
ATOM     23  HG2 GLU A  42      -6.184  11.224   1.023  1.00  0.00           H  
ATOM     24  HG3 GLU A  42      -4.819  10.996  -0.060  1.00  0.00           H  
ATOM     25  N   TRP A  43      -2.657   8.398   2.191  1.00  0.00           N  
ATOM     26  CA  TRP A  43      -2.275   7.004   1.948  1.00  0.00           C  
ATOM     27  C   TRP A  43      -3.489   6.084   1.865  1.00  0.00           C  
ATOM     28  O   TRP A  43      -4.412   6.185   2.666  1.00  0.00           O  
ATOM     29  CB  TRP A  43      -1.323   6.495   3.031  1.00  0.00           C  
ATOM     30  CG  TRP A  43       0.042   7.102   3.067  1.00  0.00           C  
ATOM     31  CD1 TRP A  43       0.432   8.122   3.861  1.00  0.00           C  
ATOM     32  CD2 TRP A  43       1.238   6.654   2.364  1.00  0.00           C  
ATOM     33  NE1 TRP A  43       1.798   8.303   3.733  1.00  0.00           N  
ATOM     34  CE2 TRP A  43       2.349   7.409   2.839  1.00  0.00           C  
ATOM     35  CE3 TRP A  43       1.502   5.637   1.421  1.00  0.00           C  
ATOM     36  CZ2 TRP A  43       3.660   7.172   2.396  1.00  0.00           C  
ATOM     37  CZ3 TRP A  43       2.814   5.378   0.974  1.00  0.00           C  
ATOM     38  CH2 TRP A  43       3.891   6.151   1.454  1.00  0.00           C  
ATOM     39  H   TRP A  43      -3.217   8.583   3.012  1.00  0.00           H  
ATOM     40  HA  TRP A  43      -1.748   6.939   0.998  1.00  0.00           H  
ATOM     41  HB2 TRP A  43      -1.795   6.603   4.009  1.00  0.00           H  
ATOM     42  HB3 TRP A  43      -1.178   5.428   2.867  1.00  0.00           H  
ATOM     43  HD1 TRP A  43      -0.223   8.666   4.529  1.00  0.00           H  
ATOM     44  HE1 TRP A  43       2.323   8.968   4.282  1.00  0.00           H  
ATOM     45  HE3 TRP A  43       0.673   5.046   1.079  1.00  0.00           H  
ATOM     46  HZ2 TRP A  43       4.475   7.775   2.764  1.00  0.00           H  
ATOM     47  HZ3 TRP A  43       3.000   4.574   0.275  1.00  0.00           H  
ATOM     48  HH2 TRP A  43       4.896   5.957   1.105  1.00  0.00           H  
ATOM     49  N   THR A  44      -3.442   5.171   0.891  1.00  0.00           N  
ATOM     50  CA  THR A  44      -4.479   4.180   0.575  1.00  0.00           C  
ATOM     51  C   THR A  44      -3.843   2.803   0.351  1.00  0.00           C  
ATOM     52  O   THR A  44      -2.703   2.678  -0.119  1.00  0.00           O  
ATOM     53  CB  THR A  44      -5.299   4.669  -0.626  1.00  0.00           C  
ATOM     54  OG1 THR A  44      -5.999   5.835  -0.261  1.00  0.00           O  
ATOM     55  CG2 THR A  44      -6.378   3.680  -1.060  1.00  0.00           C  
ATOM     56  H   THR A  44      -2.615   5.169   0.295  1.00  0.00           H  
ATOM     57  HA  THR A  44      -5.178   4.078   1.409  1.00  0.00           H  
ATOM     58  HB  THR A  44      -4.637   4.888  -1.464  1.00  0.00           H  
ATOM     59  HG1 THR A  44      -5.381   6.571  -0.187  1.00  0.00           H  
ATOM     60 HG21 THR A  44      -6.895   3.283  -0.186  1.00  0.00           H  
ATOM     61 HG22 THR A  44      -7.107   4.197  -1.689  1.00  0.00           H  
ATOM     62 HG23 THR A  44      -5.932   2.870  -1.633  1.00  0.00           H  
ATOM     63  N   TRP A  45      -4.533   1.768   0.833  1.00  0.00           N  
ATOM     64  CA  TRP A  45      -4.072   0.390   0.838  1.00  0.00           C  
ATOM     65  C   TRP A  45      -4.342  -0.326  -0.480  1.00  0.00           C  
ATOM     66  O   TRP A  45      -5.435  -0.224  -1.032  1.00  0.00           O  
ATOM     67  CB  TRP A  45      -4.788  -0.340   1.978  1.00  0.00           C  
ATOM     68  CG  TRP A  45      -4.488  -1.796   2.065  1.00  0.00           C  
ATOM     69  CD1 TRP A  45      -5.294  -2.812   1.683  1.00  0.00           C  
ATOM     70  CD2 TRP A  45      -3.272  -2.403   2.560  1.00  0.00           C  
ATOM     71  NE1 TRP A  45      -4.668  -4.016   1.955  1.00  0.00           N  
ATOM     72  CE2 TRP A  45      -3.425  -3.818   2.524  1.00  0.00           C  
ATOM     73  CE3 TRP A  45      -2.066  -1.877   3.057  1.00  0.00           C  
ATOM     74  CZ2 TRP A  45      -2.425  -4.683   2.991  1.00  0.00           C  
ATOM     75  CZ3 TRP A  45      -1.042  -2.735   3.478  1.00  0.00           C  
ATOM     76  CH2 TRP A  45      -1.225  -4.130   3.467  1.00  0.00           C  
ATOM     77  H   TRP A  45      -5.445   1.939   1.230  1.00  0.00           H  
ATOM     78  HA  TRP A  45      -2.995   0.383   0.984  1.00  0.00           H  
ATOM     79  HB2 TRP A  45      -4.507   0.124   2.924  1.00  0.00           H  
ATOM     80  HB3 TRP A  45      -5.863  -0.224   1.865  1.00  0.00           H  
ATOM     81  HD1 TRP A  45      -6.273  -2.686   1.236  1.00  0.00           H  
ATOM     82  HE1 TRP A  45      -5.085  -4.917   1.768  1.00  0.00           H  
ATOM     83  HE3 TRP A  45      -1.932  -0.803   3.113  1.00  0.00           H  
ATOM     84  HZ2 TRP A  45      -2.562  -5.753   2.948  1.00  0.00           H  
ATOM     85  HZ3 TRP A  45      -0.128  -2.290   3.836  1.00  0.00           H  
ATOM     86  HH2 TRP A  45      -0.435  -4.774   3.819  1.00  0.00           H  
ATOM     87  N   ASP A  46      -3.361  -1.112  -0.932  1.00  0.00           N  
ATOM     88  CA  ASP A  46      -3.380  -1.718  -2.256  1.00  0.00           C  
ATOM     89  C   ASP A  46      -3.056  -3.218  -2.194  1.00  0.00           C  
ATOM     90  O   ASP A  46      -1.903  -3.638  -2.287  1.00  0.00           O  
ATOM     91  CB  ASP A  46      -2.447  -0.886  -3.144  1.00  0.00           C  
ATOM     92  CG  ASP A  46      -2.439  -1.351  -4.597  1.00  0.00           C  
ATOM     93  OD1 ASP A  46      -3.330  -0.897  -5.347  1.00  0.00           O  
ATOM     94  OD2 ASP A  46      -1.542  -2.153  -4.935  1.00  0.00           O  
ATOM     95  H   ASP A  46      -2.486  -1.175  -0.414  1.00  0.00           H  
ATOM     96  HA  ASP A  46      -4.382  -1.630  -2.679  1.00  0.00           H  
ATOM     97  HB2 ASP A  46      -2.795   0.147  -3.114  1.00  0.00           H  
ATOM     98  HB3 ASP A  46      -1.438  -0.900  -2.733  1.00  0.00           H  
ATOM     99  N   ASP A  47      -4.105  -4.040  -2.056  1.00  0.00           N  
ATOM    100  CA  ASP A  47      -4.049  -5.507  -1.996  1.00  0.00           C  
ATOM    101  C   ASP A  47      -3.319  -6.156  -3.182  1.00  0.00           C  
ATOM    102  O   ASP A  47      -2.689  -7.197  -3.007  1.00  0.00           O  
ATOM    103  CB  ASP A  47      -5.479  -6.057  -1.911  1.00  0.00           C  
ATOM    104  CG  ASP A  47      -5.490  -7.579  -1.747  1.00  0.00           C  
ATOM    105  OD1 ASP A  47      -5.162  -8.036  -0.630  1.00  0.00           O  
ATOM    106  OD2 ASP A  47      -5.812  -8.258  -2.747  1.00  0.00           O  
ATOM    107  H   ASP A  47      -5.011  -3.609  -1.935  1.00  0.00           H  
ATOM    108  HA  ASP A  47      -3.517  -5.795  -1.087  1.00  0.00           H  
ATOM    109  HB2 ASP A  47      -5.991  -5.607  -1.058  1.00  0.00           H  
ATOM    110  HB3 ASP A  47      -6.021  -5.784  -2.819  1.00  0.00           H  
ATOM    111  N   ALA A  48      -3.342  -5.526  -4.363  1.00  0.00           N  
ATOM    112  CA  ALA A  48      -2.533  -5.934  -5.515  1.00  0.00           C  
ATOM    113  C   ALA A  48      -1.014  -5.916  -5.243  1.00  0.00           C  
ATOM    114  O   ALA A  48      -0.247  -6.444  -6.044  1.00  0.00           O  
ATOM    115  CB  ALA A  48      -2.876  -5.037  -6.711  1.00  0.00           C  
ATOM    116  H   ALA A  48      -3.899  -4.687  -4.435  1.00  0.00           H  
ATOM    117  HA  ALA A  48      -2.801  -6.960  -5.765  1.00  0.00           H  
ATOM    118  HB1 ALA A  48      -2.392  -5.432  -7.605  1.00  0.00           H  
ATOM    119  HB2 ALA A  48      -3.953  -5.009  -6.876  1.00  0.00           H  
ATOM    120  HB3 ALA A  48      -2.510  -4.024  -6.536  1.00  0.00           H  
ATOM    121  N   THR A  49      -0.580  -5.298  -4.134  1.00  0.00           N  
ATOM    122  CA  THR A  49       0.801  -5.325  -3.618  1.00  0.00           C  
ATOM    123  C   THR A  49       0.933  -5.671  -2.131  1.00  0.00           C  
ATOM    124  O   THR A  49       2.033  -6.014  -1.704  1.00  0.00           O  
ATOM    125  CB  THR A  49       1.504  -3.983  -3.857  1.00  0.00           C  
ATOM    126  OG1 THR A  49       0.776  -2.919  -3.281  1.00  0.00           O  
ATOM    127  CG2 THR A  49       1.750  -3.712  -5.339  1.00  0.00           C  
ATOM    128  H   THR A  49      -1.292  -4.822  -3.591  1.00  0.00           H  
ATOM    129  HA  THR A  49       1.368  -6.096  -4.146  1.00  0.00           H  
ATOM    130  HB  THR A  49       2.480  -4.025  -3.378  1.00  0.00           H  
ATOM    131  HG1 THR A  49      -0.153  -2.989  -3.536  1.00  0.00           H  
ATOM    132 HG21 THR A  49       2.296  -4.551  -5.768  1.00  0.00           H  
ATOM    133 HG22 THR A  49       0.808  -3.584  -5.871  1.00  0.00           H  
ATOM    134 HG23 THR A  49       2.352  -2.809  -5.442  1.00  0.00           H  
ATOM    135  N   LYS A  50      -0.151  -5.608  -1.342  1.00  0.00           N  
ATOM    136  CA  LYS A  50      -0.168  -5.775   0.123  1.00  0.00           C  
ATOM    137  C   LYS A  50       0.701  -4.745   0.851  1.00  0.00           C  
ATOM    138  O   LYS A  50       1.329  -5.029   1.871  1.00  0.00           O  
ATOM    139  CB  LYS A  50       0.144  -7.223   0.539  1.00  0.00           C  
ATOM    140  CG  LYS A  50      -0.837  -8.217  -0.090  1.00  0.00           C  
ATOM    141  CD  LYS A  50      -0.641  -9.601   0.527  1.00  0.00           C  
ATOM    142  CE  LYS A  50      -1.607 -10.588  -0.122  1.00  0.00           C  
ATOM    143  NZ  LYS A  50      -1.679 -11.839   0.650  1.00  0.00           N  
ATOM    144  H   LYS A  50      -0.986  -5.224  -1.771  1.00  0.00           H  
ATOM    145  HA  LYS A  50      -1.183  -5.569   0.462  1.00  0.00           H  
ATOM    146  HB2 LYS A  50       1.166  -7.484   0.260  1.00  0.00           H  
ATOM    147  HB3 LYS A  50       0.061  -7.300   1.624  1.00  0.00           H  
ATOM    148  HG2 LYS A  50      -1.857  -7.881   0.101  1.00  0.00           H  
ATOM    149  HG3 LYS A  50      -0.669  -8.268  -1.168  1.00  0.00           H  
ATOM    150  HD2 LYS A  50       0.385  -9.938   0.371  1.00  0.00           H  
ATOM    151  HD3 LYS A  50      -0.843  -9.546   1.598  1.00  0.00           H  
ATOM    152  HE2 LYS A  50      -2.602 -10.142  -0.163  1.00  0.00           H  
ATOM    153  HE3 LYS A  50      -1.271 -10.802  -1.137  1.00  0.00           H  
ATOM    154  HZ1 LYS A  50      -2.301 -12.485   0.188  1.00  0.00           H  
ATOM    155  HZ2 LYS A  50      -0.757 -12.246   0.719  1.00  0.00           H  
ATOM    156  HZ3 LYS A  50      -2.026 -11.636   1.577  1.00  0.00           H  
ATOM    157  N   THR A  51       0.663  -3.504   0.370  1.00  0.00           N  
ATOM    158  CA  THR A  51       1.336  -2.379   1.003  1.00  0.00           C  
ATOM    159  C   THR A  51       0.482  -1.115   0.856  1.00  0.00           C  
ATOM    160  O   THR A  51      -0.662  -1.149   0.377  1.00  0.00           O  
ATOM    161  CB  THR A  51       2.787  -2.254   0.498  1.00  0.00           C  
ATOM    162  OG1 THR A  51       3.482  -1.269   1.235  1.00  0.00           O  
ATOM    163  CG2 THR A  51       2.904  -1.970  -0.997  1.00  0.00           C  
ATOM    164  H   THR A  51       0.093  -3.315  -0.448  1.00  0.00           H  
ATOM    165  HA  THR A  51       1.433  -2.612   2.061  1.00  0.00           H  
ATOM    166  HB  THR A  51       3.290  -3.201   0.695  1.00  0.00           H  
ATOM    167  HG1 THR A  51       4.414  -1.503   1.223  1.00  0.00           H  
ATOM    168 HG21 THR A  51       2.728  -2.904  -1.527  1.00  0.00           H  
ATOM    169 HG22 THR A  51       2.169  -1.231  -1.317  1.00  0.00           H  
ATOM    170 HG23 THR A  51       3.904  -1.619  -1.243  1.00  0.00           H  
ATOM    171  N   TRP A  52       1.033   0.017   1.284  1.00  0.00           N  
ATOM    172  CA  TRP A  52       0.400   1.312   1.147  1.00  0.00           C  
ATOM    173  C   TRP A  52       0.904   2.032  -0.096  1.00  0.00           C  
ATOM    174  O   TRP A  52       2.047   1.886  -0.523  1.00  0.00           O  
ATOM    175  CB  TRP A  52       0.652   2.149   2.407  1.00  0.00           C  
ATOM    176  CG  TRP A  52      -0.105   1.659   3.598  1.00  0.00           C  
ATOM    177  CD1 TRP A  52       0.374   0.891   4.603  1.00  0.00           C  
ATOM    178  CD2 TRP A  52      -1.490   1.953   3.941  1.00  0.00           C  
ATOM    179  NE1 TRP A  52      -0.647   0.627   5.502  1.00  0.00           N  
ATOM    180  CE2 TRP A  52      -1.826   1.245   5.132  1.00  0.00           C  
ATOM    181  CE3 TRP A  52      -2.479   2.783   3.380  1.00  0.00           C  
ATOM    182  CZ2 TRP A  52      -3.117   1.288   5.680  1.00  0.00           C  
ATOM    183  CZ3 TRP A  52      -3.754   2.895   3.964  1.00  0.00           C  
ATOM    184  CH2 TRP A  52      -4.084   2.127   5.092  1.00  0.00           C  
ATOM    185  H   TRP A  52       2.014  -0.043   1.543  1.00  0.00           H  
ATOM    186  HA  TRP A  52      -0.672   1.164   1.026  1.00  0.00           H  
ATOM    187  HB2 TRP A  52       1.720   2.212   2.638  1.00  0.00           H  
ATOM    188  HB3 TRP A  52       0.313   3.165   2.217  1.00  0.00           H  
ATOM    189  HD1 TRP A  52       1.393   0.526   4.665  1.00  0.00           H  
ATOM    190  HE1 TRP A  52      -0.525   0.085   6.345  1.00  0.00           H  
ATOM    191  HE3 TRP A  52      -2.224   3.361   2.507  1.00  0.00           H  
ATOM    192  HZ2 TRP A  52      -3.362   0.690   6.546  1.00  0.00           H  
ATOM    193  HZ3 TRP A  52      -4.481   3.582   3.551  1.00  0.00           H  
ATOM    194  HH2 TRP A  52      -5.075   2.202   5.518  1.00  0.00           H  
ATOM    195  N   THR A  53       0.024   2.877  -0.624  1.00  0.00           N  
ATOM    196  CA  THR A  53       0.230   3.682  -1.817  1.00  0.00           C  
ATOM    197  C   THR A  53      -0.162   5.116  -1.518  1.00  0.00           C  
ATOM    198  O   THR A  53      -1.155   5.391  -0.835  1.00  0.00           O  
ATOM    199  CB  THR A  53      -0.556   3.147  -3.019  1.00  0.00           C  
ATOM    200  OG1 THR A  53      -1.915   2.891  -2.723  1.00  0.00           O  
ATOM    201  CG2 THR A  53       0.094   1.883  -3.583  1.00  0.00           C  
ATOM    202  H   THR A  53      -0.895   2.950  -0.198  1.00  0.00           H  
ATOM    203  HA  THR A  53       1.289   3.672  -2.072  1.00  0.00           H  
ATOM    204  HB  THR A  53      -0.524   3.908  -3.798  1.00  0.00           H  
ATOM    205  HG1 THR A  53      -2.027   2.688  -1.778  1.00  0.00           H  
ATOM    206 HG21 THR A  53       0.121   1.098  -2.828  1.00  0.00           H  
ATOM    207 HG22 THR A  53      -0.475   1.537  -4.446  1.00  0.00           H  
ATOM    208 HG23 THR A  53       1.112   2.107  -3.900  1.00  0.00           H  
ATOM    209  N   TRP A  54       0.699   6.025  -1.963  1.00  0.00           N  
ATOM    210  CA  TRP A  54       0.500   7.447  -1.826  1.00  0.00           C  
ATOM    211  C   TRP A  54      -0.387   7.968  -2.953  1.00  0.00           C  
ATOM    212  O   TRP A  54      -0.117   7.745  -4.132  1.00  0.00           O  
ATOM    213  CB  TRP A  54       1.868   8.133  -1.800  1.00  0.00           C  
ATOM    214  CG  TRP A  54       1.795   9.620  -1.788  1.00  0.00           C  
ATOM    215  CD1 TRP A  54       2.062  10.460  -2.812  1.00  0.00           C  
ATOM    216  CD2 TRP A  54       1.425  10.453  -0.664  1.00  0.00           C  
ATOM    217  NE1 TRP A  54       1.853  11.763  -2.393  1.00  0.00           N  
ATOM    218  CE2 TRP A  54       1.487  11.816  -1.060  1.00  0.00           C  
ATOM    219  CE3 TRP A  54       1.066  10.168   0.663  1.00  0.00           C  
ATOM    220  CZ2 TRP A  54       1.221  12.857  -0.158  1.00  0.00           C  
ATOM    221  CZ3 TRP A  54       0.840  11.197   1.590  1.00  0.00           C  
ATOM    222  CH2 TRP A  54       0.924  12.539   1.182  1.00  0.00           C  
ATOM    223  H   TRP A  54       1.501   5.725  -2.494  1.00  0.00           H  
ATOM    224  HA  TRP A  54      -0.031   7.630  -0.892  1.00  0.00           H  
ATOM    225  HB2 TRP A  54       2.386   7.817  -0.893  1.00  0.00           H  
ATOM    226  HB3 TRP A  54       2.470   7.817  -2.648  1.00  0.00           H  
ATOM    227  HD1 TRP A  54       2.387  10.148  -3.798  1.00  0.00           H  
ATOM    228  HE1 TRP A  54       1.996  12.565  -2.989  1.00  0.00           H  
ATOM    229  HE3 TRP A  54       0.970   9.135   0.953  1.00  0.00           H  
ATOM    230  HZ2 TRP A  54       1.269  13.887  -0.478  1.00  0.00           H  
ATOM    231  HZ3 TRP A  54       0.600  10.945   2.612  1.00  0.00           H  
ATOM    232  HH2 TRP A  54       0.743  13.323   1.904  1.00  0.00           H  
ATOM    233  N   THR A  55      -1.437   8.688  -2.565  1.00  0.00           N  
ATOM    234  CA  THR A  55      -2.363   9.375  -3.457  1.00  0.00           C  
ATOM    235  C   THR A  55      -1.997  10.850  -3.400  1.00  0.00           C  
ATOM    236  O   THR A  55      -2.276  11.523  -2.404  1.00  0.00           O  
ATOM    237  CB  THR A  55      -3.804   9.130  -2.995  1.00  0.00           C  
ATOM    238  OG1 THR A  55      -4.094   7.755  -3.113  1.00  0.00           O  
ATOM    239  CG2 THR A  55      -4.878   9.897  -3.768  1.00  0.00           C  
ATOM    240  H   THR A  55      -1.532   8.889  -1.568  1.00  0.00           H  
ATOM    241  HA  THR A  55      -2.256   9.010  -4.481  1.00  0.00           H  
ATOM    242  HB  THR A  55      -3.867   9.418  -1.951  1.00  0.00           H  
ATOM    243  HG1 THR A  55      -3.461   7.276  -2.574  1.00  0.00           H  
ATOM    244 HG21 THR A  55      -4.891   9.590  -4.814  1.00  0.00           H  
ATOM    245 HG22 THR A  55      -5.848   9.681  -3.320  1.00  0.00           H  
ATOM    246 HG23 THR A  55      -4.700  10.970  -3.703  1.00  0.00           H  
ATOM    247  N   GLU A  56      -1.306  11.332  -4.435  1.00  0.00           N  
ATOM    248  CA  GLU A  56      -0.977  12.749  -4.549  1.00  0.00           C  
ATOM    249  C   GLU A  56      -2.223  13.604  -4.851  1.00  0.00           C  
ATOM    250  O   GLU A  56      -3.264  13.114  -5.279  1.00  0.00           O  
ATOM    251  CB  GLU A  56       0.157  12.958  -5.566  1.00  0.00           C  
ATOM    252  CG  GLU A  56      -0.193  12.603  -7.019  1.00  0.00           C  
ATOM    253  CD  GLU A  56       1.024  12.800  -7.922  1.00  0.00           C  
ATOM    254  OE1 GLU A  56       1.230  13.954  -8.360  1.00  0.00           O  
ATOM    255  OE2 GLU A  56       1.741  11.799  -8.145  1.00  0.00           O  
ATOM    256  H   GLU A  56      -1.099  10.722  -5.214  1.00  0.00           H  
ATOM    257  HA  GLU A  56      -0.600  13.072  -3.579  1.00  0.00           H  
ATOM    258  HB2 GLU A  56       0.469  14.002  -5.528  1.00  0.00           H  
ATOM    259  HB3 GLU A  56       1.011  12.351  -5.259  1.00  0.00           H  
ATOM    260  HG2 GLU A  56      -0.517  11.563  -7.078  1.00  0.00           H  
ATOM    261  HG3 GLU A  56      -1.006  13.242  -7.367  1.00  0.00           H  
HETATM  262  N   NH2 A  57      -2.135  14.910  -4.631  1.00  0.00           N  
HETATM  263  HN1 NH2 A  57      -1.284  15.328  -4.292  1.00  0.00           H  
HETATM  264  HN2 NH2 A  57      -2.961  15.457  -4.808  1.00  0.00           H