USER  MOD reduce.3.24.130724 H: found=0, std=0, add=216, rem=0, adj=12
USER  MOD reduce.3.24.130724 removed 217 hydrogens (0 hets)
USER  MOD -----------------------------------------------------------------
USER  MOD scores for adjustable sidechains, with "set" totals for H,N and Q
USER  MOD "o" means original, "f" means flipped, "180deg" is methyl default
USER  MOD "!" flags a clash with an overlap of 0.40A or greater
USER  MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip
USER  MOD Set 1.1: A 452 THR OG1 :   rot -160:sc=  -0.322
USER  MOD Set 1.2: A 454 TYR OH  :   rot  180:sc=   0.472
USER  MOD Set 2.1: A 436 THR OG1 :   rot  112:sc=    1.24
USER  MOD Set 2.2: A 450 ASN     :FLIP  amide:sc=    1.04  F(o=-0.85,f=2.3)
USER  MOD Single : A 438 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A 439 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A 440 THR OG1 :   rot  104:sc=   -2.63!
USER  MOD Single : A 444 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A 445 THR OG1 :   rot  180:sc=   -0.39
USER  MOD Single : A 446 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A 447 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A 448 TYR OH  :   rot  180:sc= -0.0923
USER  MOD Single : A 449 ASN     :      amide:sc=   -5.81! C(o=-5.8!,f=-24!)
USER  MOD Single : A 455 SER OG  :   rot   49:sc= 0.00939
USER  MOD Single : A 456 THR OG1 :   rot -100:sc=   0.884
USER  MOD Single : A 459 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD -----------------------------------------------------------------
ATOM     71  N   GLU A 434      -9.259   0.028  -0.607  1.00 15.00           N
ATOM     72  CA  GLU A 434      -8.747  -0.223  -1.946  1.00 15.00           C
ATOM     73  C   GLU A 434      -7.265  -0.517  -1.905  1.00 15.00           C
ATOM     74  O   GLU A 434      -6.761  -1.322  -2.681  1.00 15.00           O
ATOM     75  CB  GLU A 434      -9.005   0.984  -2.844  1.00 15.00           C
ATOM     76  CG  GLU A 434      -8.470   2.284  -2.271  1.00 15.00           C
ATOM     77  CD  GLU A 434      -9.140   3.511  -2.851  1.00 15.00           C
ATOM     78  OE1 GLU A 434     -10.377   3.623  -2.734  1.00 15.00           O
ATOM     79  OE2 GLU A 434      -8.429   4.374  -3.405  1.00 15.00           O
ATOM      0  HA  GLU A 434      -9.266  -1.091  -2.351  1.00 15.00           H   new
ATOM      0  HB2 GLU A 434      -8.547   0.808  -3.817  1.00 15.00           H   new
ATOM      0  HB3 GLU A 434     -10.078   1.082  -3.010  1.00 15.00           H   new
ATOM      0  HG2 GLU A 434      -8.606   2.280  -1.190  1.00 15.00           H   new
ATOM      0  HG3 GLU A 434      -7.397   2.341  -2.457  1.00 15.00           H   new
ATOM     86  N   TRP A 435      -6.579   0.124  -0.981  1.00 15.00           N
ATOM     87  CA  TRP A 435      -5.142   0.015  -0.890  1.00 15.00           C
ATOM     88  C   TRP A 435      -4.783  -1.137   0.003  1.00 15.00           C
ATOM     89  O   TRP A 435      -5.426  -1.355   1.028  1.00 15.00           O
ATOM     90  CB  TRP A 435      -4.543   1.304  -0.336  1.00 15.00           C
ATOM     91  CG  TRP A 435      -4.321   2.349  -1.383  1.00 15.00           C
ATOM     92  CD1 TRP A 435      -5.218   3.277  -1.828  1.00 15.00           C
ATOM     93  CD2 TRP A 435      -3.117   2.565  -2.123  1.00 15.00           C
ATOM     94  NE1 TRP A 435      -4.645   4.046  -2.812  1.00 15.00           N
ATOM     95  CE2 TRP A 435      -3.354   3.634  -3.004  1.00 15.00           C
ATOM     96  CE3 TRP A 435      -1.859   1.954  -2.125  1.00 15.00           C
ATOM     97  CZ2 TRP A 435      -2.380   4.106  -3.879  1.00 15.00           C
ATOM     98  CZ3 TRP A 435      -0.894   2.425  -2.992  1.00 15.00           C
ATOM     99  CH2 TRP A 435      -1.159   3.493  -3.858  1.00 15.00           C
ATOM      0  H   TRP A 435      -7.001   0.731  -0.278  1.00 15.00           H   new
ATOM      0  HA  TRP A 435      -4.737  -0.156  -1.888  1.00 15.00           H   new
ATOM      0  HB2 TRP A 435      -5.205   1.704   0.432  1.00 15.00           H   new
ATOM      0  HB3 TRP A 435      -3.593   1.077   0.148  1.00 15.00           H   new
ATOM      0  HD1 TRP A 435      -6.228   3.390  -1.461  1.00 15.00           H   new
ATOM      0  HE1 TRP A 435      -5.107   4.802  -3.318  1.00 15.00           H   new
ATOM      0  HE3 TRP A 435      -1.647   1.129  -1.461  1.00 15.00           H   new
ATOM      0  HZ2 TRP A 435      -2.582   4.927  -4.551  1.00 15.00           H   new
ATOM      0  HZ3 TRP A 435       0.082   1.962  -3.003  1.00 15.00           H   new
ATOM      0  HH2 TRP A 435      -0.382   3.839  -4.523  1.00 15.00           H   new
ATOM    110  N   THR A 436      -3.747  -1.862  -0.357  1.00 15.00           N
ATOM    111  CA  THR A 436      -3.375  -2.984   0.419  1.00 15.00           C
ATOM    112  C   THR A 436      -1.922  -2.847   0.824  1.00 15.00           C
ATOM    113  O   THR A 436      -1.120  -2.315   0.069  1.00 15.00           O
ATOM    114  CB  THR A 436      -3.640  -4.343  -0.279  1.00 15.00           C
ATOM    115  OG1 THR A 436      -4.956  -4.796   0.039  1.00 15.00           O
ATOM    116  CG2 THR A 436      -2.643  -5.409   0.147  1.00 15.00           C
ATOM      0  H   THR A 436      -3.164  -1.684  -1.175  1.00 15.00           H   new
ATOM      0  HA  THR A 436      -4.011  -2.993   1.304  1.00 15.00           H   new
ATOM      0  HB  THR A 436      -3.533  -4.183  -1.352  1.00 15.00           H   new
ATOM      0  HG1 THR A 436      -5.514  -4.771  -0.766  1.00 15.00           H   new
ATOM      0 HG21 THR A 436      -2.868  -6.343  -0.367  1.00 15.00           H   new
ATOM      0 HG22 THR A 436      -1.634  -5.087  -0.110  1.00 15.00           H   new
ATOM      0 HG23 THR A 436      -2.712  -5.562   1.224  1.00 15.00           H   new
ATOM    124  N   GLU A 437      -1.585  -3.251   2.022  1.00 15.00           N
ATOM    125  CA  GLU A 437      -0.182  -3.289   2.399  1.00 15.00           C
ATOM    126  C   GLU A 437       0.293  -4.731   2.538  1.00 15.00           C
ATOM    127  O   GLU A 437      -0.350  -5.555   3.186  1.00 15.00           O
ATOM    128  CB  GLU A 437       0.103  -2.484   3.675  1.00 15.00           C
ATOM    129  CG  GLU A 437      -0.475  -3.065   4.948  1.00 15.00           C
ATOM    130  CD  GLU A 437      -1.971  -2.883   5.074  1.00 15.00           C
ATOM    131  OE1 GLU A 437      -2.725  -3.761   4.606  1.00 15.00           O
ATOM    132  OE2 GLU A 437      -2.399  -1.869   5.665  1.00 15.00           O
ATOM      0  H   GLU A 437      -2.240  -3.553   2.743  1.00 15.00           H   new
ATOM      0  HA  GLU A 437       0.383  -2.812   1.599  1.00 15.00           H   new
ATOM      0  HB2 GLU A 437       1.183  -2.393   3.794  1.00 15.00           H   new
ATOM      0  HB3 GLU A 437      -0.290  -1.476   3.544  1.00 15.00           H   new
ATOM      0  HG2 GLU A 437      -0.242  -4.129   4.990  1.00 15.00           H   new
ATOM      0  HG3 GLU A 437       0.012  -2.598   5.804  1.00 15.00           H   new
ATOM    139  N   TYR A 438       1.422  -5.021   1.914  1.00 15.00           N
ATOM    140  CA  TYR A 438       2.017  -6.354   1.947  1.00 15.00           C
ATOM    141  C   TYR A 438       3.460  -6.272   2.384  1.00 15.00           C
ATOM    142  O   TYR A 438       4.145  -5.280   2.133  1.00 15.00           O
ATOM    143  CB  TYR A 438       1.978  -7.043   0.582  1.00 15.00           C
ATOM    144  CG  TYR A 438       0.635  -7.614   0.183  1.00 15.00           C
ATOM    145  CD1 TYR A 438      -0.099  -8.400   1.064  1.00 15.00           C
ATOM    146  CD2 TYR A 438       0.124  -7.399  -1.090  1.00 15.00           C
ATOM    147  CE1 TYR A 438      -1.310  -8.950   0.688  1.00 15.00           C
ATOM    148  CE2 TYR A 438      -1.088  -7.942  -1.471  1.00 15.00           C
ATOM    149  CZ  TYR A 438      -1.799  -8.719  -0.582  1.00 15.00           C
ATOM    150  OH  TYR A 438      -3.004  -9.265  -0.962  1.00 15.00           O
ATOM      0  H   TYR A 438       1.955  -4.342   1.370  1.00 15.00           H   new
ATOM      0  HA  TYR A 438       1.427  -6.938   2.654  1.00 15.00           H   new
ATOM      0  HB2 TYR A 438       2.289  -6.326  -0.177  1.00 15.00           H   new
ATOM      0  HB3 TYR A 438       2.712  -7.849   0.579  1.00 15.00           H   new
ATOM      0  HD1 TYR A 438       0.283  -8.584   2.057  1.00 15.00           H   new
ATOM      0  HD2 TYR A 438       0.682  -6.798  -1.793  1.00 15.00           H   new
ATOM      0  HE1 TYR A 438      -1.870  -9.557   1.384  1.00 15.00           H   new
ATOM      0  HE2 TYR A 438      -1.477  -7.758  -2.462  1.00 15.00           H   new
ATOM      0  HH  TYR A 438      -3.204  -9.005  -1.886  1.00 15.00           H   new
ATOM    160  N   LYS A 439       3.919  -7.326   3.024  1.00 15.00           N
ATOM    161  CA  LYS A 439       5.310  -7.419   3.421  1.00 15.00           C
ATOM    162  C   LYS A 439       5.980  -8.627   2.813  1.00 15.00           C
ATOM    163  O   LYS A 439       5.401  -9.711   2.717  1.00 15.00           O
ATOM    164  CB  LYS A 439       5.486  -7.486   4.937  1.00 15.00           C
ATOM    165  CG  LYS A 439       5.636  -6.132   5.589  1.00 15.00           C
ATOM    166  CD  LYS A 439       4.333  -5.358   5.581  1.00 15.00           C
ATOM    167  CE  LYS A 439       3.239  -6.076   6.365  1.00 15.00           C
ATOM    168  NZ  LYS A 439       3.450  -5.994   7.835  1.00 15.00           N
ATOM      0  H   LYS A 439       3.350  -8.132   3.281  1.00 15.00           H   new
ATOM      0  HA  LYS A 439       5.778  -6.507   3.052  1.00 15.00           H   new
ATOM      0  HB2 LYS A 439       4.626  -7.996   5.372  1.00 15.00           H   new
ATOM      0  HB3 LYS A 439       6.364  -8.090   5.166  1.00 15.00           H   new
ATOM      0  HG2 LYS A 439       5.978  -6.259   6.616  1.00 15.00           H   new
ATOM      0  HG3 LYS A 439       6.402  -5.560   5.067  1.00 15.00           H   new
ATOM      0  HD2 LYS A 439       4.496  -4.369   6.008  1.00 15.00           H   new
ATOM      0  HD3 LYS A 439       4.005  -5.211   4.552  1.00 15.00           H   new
ATOM      0  HE2 LYS A 439       2.271  -5.642   6.115  1.00 15.00           H   new
ATOM      0  HE3 LYS A 439       3.206  -7.123   6.063  1.00 15.00           H   new
ATOM      0  HZ1 LYS A 439       2.682  -6.496   8.325  1.00 15.00           H   new
ATOM      0  HZ2 LYS A 439       4.361  -6.432   8.080  1.00 15.00           H   new
ATOM      0  HZ3 LYS A 439       3.455  -4.997   8.130  1.00 15.00           H   new
ATOM    182  N   THR A 440       7.217  -8.421   2.442  1.00 15.00           N
ATOM    183  CA  THR A 440       8.111  -9.510   2.100  1.00 15.00           C
ATOM    184  C   THR A 440       8.820  -9.930   3.368  1.00 15.00           C
ATOM    185  O   THR A 440       8.933  -9.126   4.284  1.00 15.00           O
ATOM    186  CB  THR A 440       9.133  -9.125   1.020  1.00 15.00           C
ATOM    187  OG1 THR A 440       9.646  -7.818   1.276  1.00 15.00           O
ATOM    188  CG2 THR A 440       8.510  -9.185  -0.366  1.00 15.00           C
ATOM      0  H   THR A 440       7.638  -7.495   2.367  1.00 15.00           H   new
ATOM      0  HA  THR A 440       7.526 -10.328   1.680  1.00 15.00           H   new
ATOM      0  HB  THR A 440       9.953  -9.842   1.053  1.00 15.00           H   new
ATOM      0  HG1 THR A 440      10.548  -7.889   1.653  1.00 15.00           H   new
ATOM      0 HG21 THR A 440       9.255  -8.908  -1.112  1.00 15.00           H   new
ATOM      0 HG22 THR A 440       8.158 -10.198  -0.563  1.00 15.00           H   new
ATOM      0 HG23 THR A 440       7.670  -8.493  -0.418  1.00 15.00           H   new
ATOM    196  N   ALA A 441       9.202 -11.195   3.464  1.00 15.00           N
ATOM    197  CA  ALA A 441       9.798 -11.752   4.688  1.00 15.00           C
ATOM    198  C   ALA A 441      10.883 -10.857   5.319  1.00 15.00           C
ATOM    199  O   ALA A 441      11.129 -10.941   6.522  1.00 15.00           O
ATOM    200  CB  ALA A 441      10.375 -13.130   4.399  1.00 15.00           C
ATOM      0  H   ALA A 441       9.112 -11.869   2.704  1.00 15.00           H   new
ATOM      0  HA  ALA A 441       8.991 -11.816   5.418  1.00 15.00           H   new
ATOM      0  HB1 ALA A 441      10.815 -13.538   5.309  1.00 15.00           H   new
ATOM      0  HB2 ALA A 441       9.581 -13.791   4.052  1.00 15.00           H   new
ATOM      0  HB3 ALA A 441      11.142 -13.049   3.629  1.00 15.00           H   new
ATOM    206  N   ASP A 442      11.528 -10.006   4.527  1.00 15.00           N
ATOM    207  CA  ASP A 442      12.570  -9.119   5.052  1.00 15.00           C
ATOM    208  C   ASP A 442      11.965  -7.848   5.661  1.00 15.00           C
ATOM    209  O   ASP A 442      12.679  -6.999   6.192  1.00 15.00           O
ATOM    210  CB  ASP A 442      13.567  -8.749   3.957  1.00 15.00           C
ATOM    211  CG  ASP A 442      12.982  -7.816   2.920  1.00 15.00           C
ATOM    212  OD1 ASP A 442      12.001  -8.202   2.250  1.00 15.00           O
ATOM    213  OD2 ASP A 442      13.509  -6.698   2.761  1.00 15.00           O
ATOM      0  H   ASP A 442      11.352  -9.909   3.527  1.00 15.00           H   new
ATOM      0  HA  ASP A 442      13.095  -9.660   5.840  1.00 15.00           H   new
ATOM      0  HB2 ASP A 442      14.439  -8.279   4.411  1.00 15.00           H   new
ATOM      0  HB3 ASP A 442      13.914  -9.658   3.466  1.00 15.00           H   new
ATOM    218  N   GLY A 443      10.651  -7.730   5.573  1.00 15.00           N
ATOM    219  CA  GLY A 443       9.931  -6.659   6.233  1.00 15.00           C
ATOM    220  C   GLY A 443       9.785  -5.439   5.364  1.00 15.00           C
ATOM    221  O   GLY A 443       9.714  -4.317   5.860  1.00 15.00           O
ATOM      0  H   GLY A 443      10.058  -8.370   5.045  1.00 15.00           H   new
ATOM      0  HA2 GLY A 443       8.942  -7.015   6.522  1.00 15.00           H   new
ATOM      0  HA3 GLY A 443      10.453  -6.387   7.151  1.00 15.00           H   new
ATOM    225  N   LYS A 444       9.734  -5.662   4.063  1.00 15.00           N
ATOM    226  CA  LYS A 444       9.426  -4.595   3.135  1.00 15.00           C
ATOM    227  C   LYS A 444       7.951  -4.306   3.153  1.00 15.00           C
ATOM    228  O   LYS A 444       7.153  -5.102   2.661  1.00 15.00           O
ATOM    229  CB  LYS A 444       9.858  -4.950   1.719  1.00 15.00           C
ATOM    230  CG  LYS A 444      11.342  -4.853   1.545  1.00 15.00           C
ATOM    231  CD  LYS A 444      11.781  -5.056   0.107  1.00 15.00           C
ATOM    232  CE  LYS A 444      13.282  -4.881  -0.034  1.00 15.00           C
ATOM    233  NZ  LYS A 444      13.728  -4.964  -1.449  1.00 15.00           N
ATOM      0  H   LYS A 444       9.902  -6.570   3.629  1.00 15.00           H   new
ATOM      0  HA  LYS A 444       9.978  -3.709   3.450  1.00 15.00           H   new
ATOM      0  HB2 LYS A 444       9.531  -5.963   1.483  1.00 15.00           H   new
ATOM      0  HB3 LYS A 444       9.366  -4.283   1.012  1.00 15.00           H   new
ATOM      0  HG2 LYS A 444      11.680  -3.875   1.889  1.00 15.00           H   new
ATOM      0  HG3 LYS A 444      11.826  -5.598   2.176  1.00 15.00           H   new
ATOM      0  HD2 LYS A 444      11.495  -6.053  -0.227  1.00 15.00           H   new
ATOM      0  HD3 LYS A 444      11.266  -4.344  -0.538  1.00 15.00           H   new
ATOM      0  HE2 LYS A 444      13.574  -3.916   0.381  1.00 15.00           H   new
ATOM      0  HE3 LYS A 444      13.792  -5.647   0.551  1.00 15.00           H   new
ATOM      0  HZ1 LYS A 444      14.759  -4.839  -1.496  1.00 15.00           H   new
ATOM      0  HZ2 LYS A 444      13.474  -5.894  -1.839  1.00 15.00           H   new
ATOM      0  HZ3 LYS A 444      13.263  -4.217  -2.004  1.00 15.00           H   new
ATOM    247  N   THR A 445       7.574  -3.194   3.750  1.00 15.00           N
ATOM    248  CA  THR A 445       6.195  -2.802   3.712  1.00 15.00           C
ATOM    249  C   THR A 445       5.963  -1.919   2.495  1.00 15.00           C
ATOM    250  O   THR A 445       6.117  -0.699   2.551  1.00 15.00           O
ATOM    251  CB  THR A 445       5.790  -2.042   4.990  1.00 15.00           C
ATOM    252  OG1 THR A 445       6.225  -2.769   6.146  1.00 15.00           O
ATOM    253  CG2 THR A 445       4.281  -1.840   5.048  1.00 15.00           C
ATOM      0  H   THR A 445       8.195  -2.562   4.256  1.00 15.00           H   new
ATOM      0  HA  THR A 445       5.581  -3.701   3.649  1.00 15.00           H   new
ATOM      0  HB  THR A 445       6.269  -1.063   4.973  1.00 15.00           H   new
ATOM      0  HG1 THR A 445       5.967  -2.281   6.956  1.00 15.00           H   new
ATOM      0 HG21 THR A 445       4.021  -1.301   5.959  1.00 15.00           H   new
ATOM      0 HG22 THR A 445       3.957  -1.264   4.181  1.00 15.00           H   new
ATOM      0 HG23 THR A 445       3.784  -2.810   5.045  1.00 15.00           H   new
ATOM    261  N   TYR A 446       5.637  -2.554   1.391  1.00 15.00           N
ATOM    262  CA  TYR A 446       5.226  -1.841   0.193  1.00 15.00           C
ATOM    263  C   TYR A 446       3.722  -1.944   0.023  1.00 15.00           C
ATOM    264  O   TYR A 446       3.106  -2.938   0.415  1.00 15.00           O
ATOM    265  CB  TYR A 446       5.944  -2.385  -1.043  1.00 15.00           C
ATOM    266  CG  TYR A 446       5.689  -3.845  -1.326  1.00 15.00           C
ATOM    267  CD1 TYR A 446       6.313  -4.831  -0.579  1.00 15.00           C
ATOM    268  CD2 TYR A 446       4.837  -4.233  -2.349  1.00 15.00           C
ATOM    269  CE1 TYR A 446       6.094  -6.166  -0.836  1.00 15.00           C
ATOM    270  CE2 TYR A 446       4.612  -5.566  -2.619  1.00 15.00           C
ATOM    271  CZ  TYR A 446       5.241  -6.532  -1.860  1.00 15.00           C
ATOM    272  OH  TYR A 446       5.021  -7.863  -2.135  1.00 15.00           O
ATOM      0  H   TYR A 446       5.648  -3.569   1.294  1.00 15.00           H   new
ATOM      0  HA  TYR A 446       5.500  -0.792   0.303  1.00 15.00           H   new
ATOM      0  HB2 TYR A 446       5.638  -1.801  -1.911  1.00 15.00           H   new
ATOM      0  HB3 TYR A 446       7.016  -2.234  -0.920  1.00 15.00           H   new
ATOM      0  HD1 TYR A 446       6.983  -4.548   0.219  1.00 15.00           H   new
ATOM      0  HD2 TYR A 446       4.342  -3.479  -2.943  1.00 15.00           H   new
ATOM      0  HE1 TYR A 446       6.585  -6.922  -0.241  1.00 15.00           H   new
ATOM      0  HE2 TYR A 446       3.947  -5.853  -3.420  1.00 15.00           H   new
ATOM      0  HH  TYR A 446       4.394  -7.943  -2.884  1.00 15.00           H   new
ATOM    282  N   TYR A 447       3.138  -0.931  -0.580  1.00 15.00           N
ATOM    283  CA  TYR A 447       1.697  -0.848  -0.671  1.00 15.00           C
ATOM    284  C   TYR A 447       1.198  -1.260  -2.045  1.00 15.00           C
ATOM    285  O   TYR A 447       1.351  -0.541  -3.034  1.00 15.00           O
ATOM    286  CB  TYR A 447       1.230   0.557  -0.290  1.00 15.00           C
ATOM    287  CG  TYR A 447       1.665   0.913   1.109  1.00 15.00           C
ATOM    288  CD1 TYR A 447       1.007   0.383   2.208  1.00 15.00           C
ATOM    289  CD2 TYR A 447       2.756   1.741   1.331  1.00 15.00           C
ATOM    290  CE1 TYR A 447       1.419   0.665   3.493  1.00 15.00           C
ATOM    291  CE2 TYR A 447       3.175   2.035   2.614  1.00 15.00           C
ATOM    292  CZ  TYR A 447       2.505   1.493   3.692  1.00 15.00           C
ATOM    293  OH  TYR A 447       2.922   1.773   4.973  1.00 15.00           O
ATOM      0  H   TYR A 447       3.638  -0.155  -1.014  1.00 15.00           H   new
ATOM      0  HA  TYR A 447       1.264  -1.554   0.038  1.00 15.00           H   new
ATOM      0  HB2 TYR A 447       1.635   1.282  -0.996  1.00 15.00           H   new
ATOM      0  HB3 TYR A 447       0.144   0.615  -0.362  1.00 15.00           H   new
ATOM      0  HD1 TYR A 447       0.155  -0.263   2.055  1.00 15.00           H   new
ATOM      0  HD2 TYR A 447       3.285   2.162   0.489  1.00 15.00           H   new
ATOM      0  HE1 TYR A 447       0.896   0.241   4.337  1.00 15.00           H   new
ATOM      0  HE2 TYR A 447       4.022   2.686   2.773  1.00 15.00           H   new
ATOM      0  HH  TYR A 447       3.699   2.369   4.941  1.00 15.00           H   new
ATOM    303  N   TYR A 448       0.645  -2.457  -2.084  1.00 15.00           N
ATOM    304  CA  TYR A 448       0.029  -3.002  -3.272  1.00 15.00           C
ATOM    305  C   TYR A 448      -1.485  -2.860  -3.155  1.00 15.00           C
ATOM    306  O   TYR A 448      -2.102  -3.497  -2.325  1.00 15.00           O
ATOM    307  CB  TYR A 448       0.431  -4.475  -3.419  1.00 15.00           C
ATOM    308  CG  TYR A 448       0.042  -5.121  -4.733  1.00 15.00           C
ATOM    309  CD1 TYR A 448       0.872  -5.024  -5.844  1.00 15.00           C
ATOM    310  CD2 TYR A 448      -1.140  -5.842  -4.860  1.00 15.00           C
ATOM    311  CE1 TYR A 448       0.534  -5.622  -7.042  1.00 15.00           C
ATOM    312  CE2 TYR A 448      -1.482  -6.447  -6.055  1.00 15.00           C
ATOM    313  CZ  TYR A 448      -0.642  -6.334  -7.142  1.00 15.00           C
ATOM    314  OH  TYR A 448      -0.982  -6.932  -8.334  1.00 15.00           O
ATOM      0  H   TYR A 448       0.612  -3.084  -1.280  1.00 15.00           H   new
ATOM      0  HA  TYR A 448       0.364  -2.462  -4.157  1.00 15.00           H   new
ATOM      0  HB2 TYR A 448       1.512  -4.554  -3.299  1.00 15.00           H   new
ATOM      0  HB3 TYR A 448      -0.022  -5.042  -2.606  1.00 15.00           H   new
ATOM      0  HD1 TYR A 448       1.797  -4.472  -5.769  1.00 15.00           H   new
ATOM      0  HD2 TYR A 448      -1.802  -5.931  -4.011  1.00 15.00           H   new
ATOM      0  HE1 TYR A 448       1.188  -5.532  -7.897  1.00 15.00           H   new
ATOM      0  HE2 TYR A 448      -2.403  -7.005  -6.137  1.00 15.00           H   new
ATOM      0  HH  TYR A 448      -1.840  -7.395  -8.235  1.00 15.00           H   new
ATOM    324  N   ASN A 449      -2.077  -2.006  -3.964  1.00 15.00           N
ATOM    325  CA  ASN A 449      -3.524  -1.765  -3.893  1.00 15.00           C
ATOM    326  C   ASN A 449      -4.257  -2.709  -4.783  1.00 15.00           C
ATOM    327  O   ASN A 449      -3.743  -3.111  -5.797  1.00 15.00           O
ATOM    328  CB  ASN A 449      -3.797  -0.302  -4.117  1.00 15.00           C
ATOM    329  CG  ASN A 449      -5.231   0.078  -4.525  1.00 15.00           C
ATOM    330  OD1 ASN A 449      -5.926  -0.648  -5.230  1.00 15.00           O
ATOM    331  ND2 ASN A 449      -5.654   1.269  -4.148  1.00 15.00           N
ATOM      0  H   ASN A 449      -1.591  -1.464  -4.679  1.00 15.00           H   new
ATOM      0  HA  ASN A 449      -3.914  -1.983  -2.899  1.00 15.00           H   new
ATOM      0  HB2 ASN A 449      -3.550   0.234  -3.201  1.00 15.00           H   new
ATOM      0  HB3 ASN A 449      -3.117   0.057  -4.890  1.00 15.00           H   new
ATOM      0 HD21 ASN A 449      -6.573   1.601  -4.442  1.00 15.00           H   new
ATOM      0 HD22 ASN A 449      -5.063   1.858  -3.562  1.00 15.00           H   new
ATOM    338  N   ASN A 450      -5.463  -3.068  -4.374  1.00 15.00           N
ATOM    339  CA  ASN A 450      -6.088  -4.280  -4.858  1.00 15.00           C
ATOM    340  C   ASN A 450      -7.304  -4.013  -5.740  1.00 15.00           C
ATOM    341  O   ASN A 450      -7.978  -4.946  -6.168  1.00 15.00           O
ATOM    342  CB  ASN A 450      -6.446  -5.159  -3.658  1.00 15.00           C
ATOM    343  CG  ASN A 450      -7.341  -4.448  -2.631  1.00 15.00           C
ATOM    344  OD1 ASN A 450      -6.779  -3.911  -1.531  1.00 15.00           O   flip
ATOM    345  ND2 ASN A 450      -8.560  -4.412  -2.802  1.00 15.00           N   flip
ATOM      0  H   ASN A 450      -6.025  -2.536  -3.709  1.00 15.00           H   new
ATOM      0  HA  ASN A 450      -5.377  -4.800  -5.500  1.00 15.00           H   new
ATOM      0  HB2 ASN A 450      -6.953  -6.057  -4.012  1.00 15.00           H   new
ATOM      0  HB3 ASN A 450      -5.528  -5.484  -3.167  1.00 15.00           H   new
ATOM      0 HD21 ASN A 450      -8.970  -4.823  -3.641  1.00 15.00           H   new
ATOM      0 HD22 ASN A 450      -9.160  -3.971  -2.105  1.00 15.00           H   new
ATOM    352  N   ARG A 451      -7.577  -2.745  -6.024  1.00 15.00           N
ATOM    353  CA  ARG A 451      -8.598  -2.402  -7.010  1.00 15.00           C
ATOM    354  C   ARG A 451      -7.931  -2.056  -8.340  1.00 15.00           C
ATOM    355  O   ARG A 451      -8.487  -2.285  -9.414  1.00 15.00           O
ATOM    356  CB  ARG A 451      -9.451  -1.209  -6.557  1.00 15.00           C
ATOM    357  CG  ARG A 451      -8.637   0.056  -6.369  1.00 15.00           C
ATOM    358  CD  ARG A 451      -9.444   1.319  -6.610  1.00 15.00           C
ATOM    359  NE  ARG A 451      -8.551   2.449  -6.870  1.00 15.00           N
ATOM    360  CZ  ARG A 451      -8.813   3.713  -6.557  1.00 15.00           C
ATOM    361  NH1 ARG A 451      -9.990   4.048  -6.038  1.00 15.00           N
ATOM    362  NH2 ARG A 451      -7.893   4.647  -6.786  1.00 15.00           N
ATOM      0  H   ARG A 451      -7.113  -1.946  -5.593  1.00 15.00           H   new
ATOM      0  HA  ARG A 451      -9.251  -3.267  -7.122  1.00 15.00           H   new
ATOM      0  HB2 ARG A 451     -10.233  -1.026  -7.294  1.00 15.00           H   new
ATOM      0  HB3 ARG A 451      -9.948  -1.459  -5.620  1.00 15.00           H   new
ATOM      0  HG2 ARG A 451      -8.234   0.076  -5.356  1.00 15.00           H   new
ATOM      0  HG3 ARG A 451      -7.786   0.039  -7.050  1.00 15.00           H   new
ATOM      0  HD2 ARG A 451     -10.115   1.174  -7.457  1.00 15.00           H   new
ATOM      0  HD3 ARG A 451     -10.068   1.532  -5.742  1.00 15.00           H   new
ATOM      0  HE  ARG A 451      -7.660   2.251  -7.326  1.00 15.00           H   new
ATOM      0 HH11 ARG A 451     -10.699   3.332  -5.878  1.00 15.00           H   new
ATOM      0 HH12 ARG A 451     -10.184   5.021  -5.800  1.00 15.00           H   new
ATOM      0 HH21 ARG A 451      -6.996   4.389  -7.198  1.00 15.00           H   new
ATOM      0 HH22 ARG A 451      -8.085   5.620  -6.549  1.00 15.00           H   new
ATOM    376  N   THR A 452      -6.740  -1.479  -8.242  1.00 15.00           N
ATOM    377  CA  THR A 452      -6.014  -0.984  -9.403  1.00 15.00           C
ATOM    378  C   THR A 452      -4.632  -1.631  -9.482  1.00 15.00           C
ATOM    379  O   THR A 452      -3.934  -1.524 -10.487  1.00 15.00           O
ATOM    380  CB  THR A 452      -5.864   0.545  -9.300  1.00 15.00           C
ATOM    381  OG1 THR A 452      -7.121   1.134  -8.950  1.00 15.00           O
ATOM    382  CG2 THR A 452      -5.372   1.158 -10.596  1.00 15.00           C
ATOM      0  H   THR A 452      -6.252  -1.342  -7.357  1.00 15.00           H   new
ATOM      0  HA  THR A 452      -6.572  -1.239 -10.304  1.00 15.00           H   new
ATOM      0  HB  THR A 452      -5.122   0.747  -8.528  1.00 15.00           H   new
ATOM      0  HG1 THR A 452      -7.115   2.084  -9.190  1.00 15.00           H   new
ATOM      0 HG21 THR A 452      -5.281   2.238 -10.476  1.00 15.00           H   new
ATOM      0 HG22 THR A 452      -4.399   0.738 -10.851  1.00 15.00           H   new
ATOM      0 HG23 THR A 452      -6.082   0.940 -11.394  1.00 15.00           H   new
ATOM    390  N   LEU A 453      -4.265  -2.306  -8.395  1.00 15.00           N
ATOM    391  CA  LEU A 453      -2.989  -3.007  -8.253  1.00 15.00           C
ATOM    392  C   LEU A 453      -1.788  -2.117  -8.519  1.00 15.00           C
ATOM    393  O   LEU A 453      -1.266  -2.013  -9.630  1.00 15.00           O
ATOM    394  CB  LEU A 453      -2.930  -4.356  -8.985  1.00 15.00           C
ATOM    395  CG  LEU A 453      -3.346  -4.382 -10.460  1.00 15.00           C
ATOM    396  CD1 LEU A 453      -2.493  -5.381 -11.226  1.00 15.00           C
ATOM    397  CD2 LEU A 453      -4.820  -4.739 -10.596  1.00 15.00           C
ATOM      0  H   LEU A 453      -4.859  -2.383  -7.569  1.00 15.00           H   new
ATOM      0  HA  LEU A 453      -2.929  -3.271  -7.197  1.00 15.00           H   new
ATOM      0  HB2 LEU A 453      -1.909  -4.730  -8.917  1.00 15.00           H   new
ATOM      0  HB3 LEU A 453      -3.564  -5.059  -8.445  1.00 15.00           H   new
ATOM      0  HG  LEU A 453      -3.192  -3.388 -10.880  1.00 15.00           H   new
ATOM      0 HD11 LEU A 453      -2.797  -5.392 -12.273  1.00 15.00           H   new
ATOM      0 HD12 LEU A 453      -1.444  -5.093 -11.155  1.00 15.00           H   new
ATOM      0 HD13 LEU A 453      -2.626  -6.375 -10.800  1.00 15.00           H   new
ATOM      0 HD21 LEU A 453      -5.095  -4.752 -11.651  1.00 15.00           H   new
ATOM      0 HD22 LEU A 453      -4.998  -5.723 -10.162  1.00 15.00           H   new
ATOM      0 HD23 LEU A 453      -5.424  -3.998 -10.073  1.00 15.00           H   new
ATOM    409  N   TYR A 454      -1.389  -1.455  -7.440  1.00 15.00           N
ATOM    410  CA  TYR A 454      -0.241  -0.547  -7.426  1.00 15.00           C
ATOM    411  C   TYR A 454       0.908  -1.227  -6.732  1.00 15.00           C
ATOM    412  O   TYR A 454       0.694  -1.916  -5.741  1.00 15.00           O
ATOM    413  CB  TYR A 454      -0.548   0.714  -6.615  1.00 15.00           C
ATOM    414  CG  TYR A 454      -1.789   1.444  -7.002  1.00 15.00           C
ATOM    415  CD1 TYR A 454      -2.957   0.983  -6.524  1.00 15.00           C
ATOM    416  CD2 TYR A 454      -1.796   2.592  -7.779  1.00 15.00           C
ATOM    417  CE1 TYR A 454      -4.137   1.590  -6.765  1.00 15.00           C
ATOM    418  CE2 TYR A 454      -2.987   3.245  -8.045  1.00 15.00           C
ATOM    419  CZ  TYR A 454      -4.169   2.739  -7.530  1.00 15.00           C
ATOM    420  OH  TYR A 454      -5.366   3.374  -7.785  1.00 15.00           O
ATOM      0  H   TYR A 454      -1.857  -1.532  -6.537  1.00 15.00           H   new
ATOM      0  HA  TYR A 454      -0.008  -0.286  -8.458  1.00 15.00           H   new
ATOM      0  HB2 TYR A 454      -0.624   0.438  -5.563  1.00 15.00           H   new
ATOM      0  HB3 TYR A 454       0.297   1.397  -6.706  1.00 15.00           H   new
ATOM      0  HD1 TYR A 454      -2.951   0.087  -5.921  1.00 15.00           H   new
ATOM      0  HD2 TYR A 454      -0.870   2.978  -8.178  1.00 15.00           H   new
ATOM      0  HE1 TYR A 454      -5.051   1.180  -6.362  1.00 15.00           H   new
ATOM      0  HE2 TYR A 454      -2.995   4.141  -8.648  1.00 15.00           H   new
ATOM      0  HH  TYR A 454      -5.204   4.167  -8.338  1.00 15.00           H   new
ATOM    430  N   SER A 455       2.110  -1.010  -7.211  1.00 15.00           N
ATOM    431  CA  SER A 455       3.284  -1.430  -6.480  1.00 15.00           C
ATOM    432  C   SER A 455       4.136  -0.220  -6.141  1.00 15.00           C
ATOM    433  O   SER A 455       4.878   0.290  -6.979  1.00 15.00           O
ATOM    434  CB  SER A 455       4.087  -2.463  -7.267  1.00 15.00           C
ATOM    435  OG  SER A 455       4.144  -2.127  -8.644  1.00 15.00           O
ATOM      0  H   SER A 455       2.301  -0.547  -8.100  1.00 15.00           H   new
ATOM      0  HA  SER A 455       2.965  -1.907  -5.553  1.00 15.00           H   new
ATOM      0  HB2 SER A 455       5.097  -2.527  -6.863  1.00 15.00           H   new
ATOM      0  HB3 SER A 455       3.634  -3.447  -7.148  1.00 15.00           H   new
ATOM      0  HG  SER A 455       4.407  -1.188  -8.741  1.00 15.00           H   new
ATOM    441  N   THR A 456       3.966   0.281  -4.934  1.00 15.00           N
ATOM    442  CA  THR A 456       4.735   1.415  -4.479  1.00 15.00           C
ATOM    443  C   THR A 456       5.384   1.116  -3.132  1.00 15.00           C
ATOM    444  O   THR A 456       4.714   0.773  -2.158  1.00 15.00           O
ATOM    445  CB  THR A 456       3.879   2.705  -4.408  1.00 15.00           C
ATOM    446  OG1 THR A 456       4.631   3.767  -3.803  1.00 15.00           O
ATOM    447  CG2 THR A 456       2.578   2.485  -3.645  1.00 15.00           C
ATOM      0  H   THR A 456       3.300  -0.082  -4.252  1.00 15.00           H   new
ATOM      0  HA  THR A 456       5.522   1.593  -5.212  1.00 15.00           H   new
ATOM      0  HB  THR A 456       3.619   2.981  -5.430  1.00 15.00           H   new
ATOM      0  HG1 THR A 456       4.367   3.861  -2.864  1.00 15.00           H   new
ATOM      0 HG21 THR A 456       2.009   3.415  -3.620  1.00 15.00           H   new
ATOM      0 HG22 THR A 456       1.990   1.714  -4.143  1.00 15.00           H   new
ATOM      0 HG23 THR A 456       2.803   2.169  -2.626  1.00 15.00           H   new
ATOM    455  N   TRP A 457       6.703   1.221  -3.106  1.00 15.00           N
ATOM    456  CA  TRP A 457       7.480   0.940  -1.907  1.00 15.00           C
ATOM    457  C   TRP A 457       7.451   2.121  -0.941  1.00 15.00           C
ATOM    458  O   TRP A 457       7.967   2.035   0.174  1.00 15.00           O
ATOM    459  CB  TRP A 457       8.926   0.609  -2.284  1.00 15.00           C
ATOM    460  CG  TRP A 457       9.042  -0.541  -3.237  1.00 15.00           C
ATOM    461  CD1 TRP A 457       9.056  -0.481  -4.601  1.00 15.00           C
ATOM    462  CD2 TRP A 457       9.157  -1.924  -2.895  1.00 15.00           C
ATOM    463  NE1 TRP A 457       9.168  -1.746  -5.127  1.00 15.00           N
ATOM    464  CE2 TRP A 457       9.233  -2.649  -4.099  1.00 15.00           C
ATOM    465  CE3 TRP A 457       9.201  -2.617  -1.688  1.00 15.00           C
ATOM    466  CZ2 TRP A 457       9.353  -4.037  -4.124  1.00 15.00           C
ATOM    467  CZ3 TRP A 457       9.318  -3.991  -1.715  1.00 15.00           C
ATOM    468  CH2 TRP A 457       9.395  -4.689  -2.923  1.00 15.00           C
ATOM      0  H   TRP A 457       7.264   1.502  -3.910  1.00 15.00           H   new
ATOM      0  HA  TRP A 457       7.031   0.081  -1.407  1.00 15.00           H   new
ATOM      0  HB2 TRP A 457       9.388   1.489  -2.730  1.00 15.00           H   new
ATOM      0  HB3 TRP A 457       9.487   0.379  -1.378  1.00 15.00           H   new
ATOM      0  HD1 TRP A 457       8.989   0.427  -5.182  1.00 15.00           H   new
ATOM      0  HE1 TRP A 457       9.198  -1.975  -6.121  1.00 15.00           H   new
ATOM      0  HE3 TRP A 457       9.145  -2.088  -0.748  1.00 15.00           H   new
ATOM      0  HZ2 TRP A 457       9.411  -4.578  -5.057  1.00 15.00           H   new
ATOM      0  HZ3 TRP A 457       9.351  -4.538  -0.784  1.00 15.00           H   new
ATOM      0  HH2 TRP A 457       9.490  -5.765  -2.908  1.00 15.00           H   new
ATOM    479  N   GLU A 458       6.851   3.220  -1.370  1.00 15.00           N
ATOM    480  CA  GLU A 458       6.750   4.400  -0.530  1.00 15.00           C
ATOM    481  C   GLU A 458       5.285   4.708  -0.244  1.00 15.00           C
ATOM    482  O   GLU A 458       4.428   4.566  -1.122  1.00 15.00           O
ATOM    483  CB  GLU A 458       7.447   5.590  -1.193  1.00 15.00           C
ATOM    484  CG  GLU A 458       7.653   6.767  -0.255  1.00 15.00           C
ATOM    485  CD  GLU A 458       8.682   7.747  -0.770  1.00 15.00           C
ATOM    486  OE1 GLU A 458       9.883   7.399  -0.788  1.00 15.00           O
ATOM    487  OE2 GLU A 458       8.306   8.874  -1.143  1.00 15.00           O
ATOM      0  H   GLU A 458       6.428   3.318  -2.293  1.00 15.00           H   new
ATOM      0  HA  GLU A 458       7.252   4.208   0.418  1.00 15.00           H   new
ATOM      0  HB2 GLU A 458       8.415   5.267  -1.577  1.00 15.00           H   new
ATOM      0  HB3 GLU A 458       6.857   5.916  -2.049  1.00 15.00           H   new
ATOM      0  HG2 GLU A 458       6.704   7.284  -0.112  1.00 15.00           H   new
ATOM      0  HG3 GLU A 458       7.965   6.398   0.722  1.00 15.00           H   new
ATOM    494  N   LYS A 459       5.017   5.136   0.983  1.00 15.00           N
ATOM    495  CA  LYS A 459       3.659   5.359   1.456  1.00 15.00           C
ATOM    496  C   LYS A 459       2.989   6.507   0.700  1.00 15.00           C
ATOM    497  O   LYS A 459       3.494   7.630   0.685  1.00 15.00           O
ATOM    498  CB  LYS A 459       3.685   5.651   2.959  1.00 15.00           C
ATOM    499  CG  LYS A 459       2.309   5.687   3.600  1.00 15.00           C
ATOM    500  CD  LYS A 459       2.397   5.876   5.108  1.00 15.00           C
ATOM    501  CE  LYS A 459       3.066   7.193   5.471  1.00 15.00           C
ATOM    502  NZ  LYS A 459       3.020   7.461   6.930  1.00 15.00           N
ATOM      0  H   LYS A 459       5.736   5.338   1.678  1.00 15.00           H   new
ATOM      0  HA  LYS A 459       3.074   4.458   1.271  1.00 15.00           H   new
ATOM      0  HB2 LYS A 459       4.288   4.891   3.457  1.00 15.00           H   new
ATOM      0  HB3 LYS A 459       4.178   6.609   3.125  1.00 15.00           H   new
ATOM      0  HG2 LYS A 459       1.726   6.498   3.165  1.00 15.00           H   new
ATOM      0  HG3 LYS A 459       1.780   4.760   3.379  1.00 15.00           H   new
ATOM      0  HD2 LYS A 459       1.396   5.846   5.538  1.00 15.00           H   new
ATOM      0  HD3 LYS A 459       2.957   5.050   5.546  1.00 15.00           H   new
ATOM      0  HE2 LYS A 459       4.104   7.175   5.139  1.00 15.00           H   new
ATOM      0  HE3 LYS A 459       2.575   8.007   4.938  1.00 15.00           H   new
ATOM      0  HZ1 LYS A 459       3.487   8.368   7.131  1.00 15.00           H   new
ATOM      0  HZ2 LYS A 459       2.029   7.505   7.244  1.00 15.00           H   new
ATOM      0  HZ3 LYS A 459       3.511   6.698   7.439  1.00 15.00           H   new
ATOM    516  N   PRO A 460       1.836   6.232   0.070  1.00 15.00           N
ATOM    517  CA  PRO A 460       1.103   7.219  -0.728  1.00 15.00           C
ATOM    518  C   PRO A 460       0.315   8.198   0.132  1.00 15.00           C
ATOM    519  O   PRO A 460       0.105   7.975   1.325  1.00 15.00           O
ATOM    520  CB  PRO A 460       0.167   6.351  -1.565  1.00 15.00           C
ATOM    521  CG  PRO A 460      -0.100   5.161  -0.715  1.00 15.00           C
ATOM    522  CD  PRO A 460       1.148   4.928   0.094  1.00 15.00           C
ATOM      0  HA  PRO A 460       1.767   7.850  -1.319  1.00 15.00           H   new
ATOM      0  HB2 PRO A 460      -0.755   6.880  -1.807  1.00 15.00           H   new
ATOM      0  HB3 PRO A 460       0.629   6.067  -2.511  1.00 15.00           H   new
ATOM      0  HG2 PRO A 460      -0.958   5.333  -0.065  1.00 15.00           H   new
ATOM      0  HG3 PRO A 460      -0.334   4.290  -1.328  1.00 15.00           H   new
ATOM      0  HD2 PRO A 460       0.912   4.620   1.112  1.00 15.00           H   new
ATOM      0  HD3 PRO A 460       1.766   4.143  -0.342  1.00 15.00           H   new