USER  MOD reduce.3.24.130724 H: found=0, std=0, add=174, rem=0, adj=0
USER  MOD reduce.3.24.130724 removed 174 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 Single : A  11 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  23 HIS     :     no HD1:sc=       0  X(o=0,f=0)
USER  MOD -----------------------------------------------------------------
ATOM     39  N   ARG A   4      55.868   4.226   3.666  1.00  0.00           N
ATOM     40  CA  ARG A   4      54.964   4.799   2.884  1.00  0.00           C
ATOM     41  C   ARG A   4      53.678   5.079   3.616  1.00  0.00           C
ATOM     42  O   ARG A   4      52.783   5.774   3.141  1.00  0.00           O
ATOM     43  CB  ARG A   4      54.713   4.069   1.579  1.00  0.00           C
ATOM     44  CG  ARG A   4      56.028   3.887   0.818  1.00  0.00           C
ATOM     45  CD  ARG A   4      55.771   3.098  -0.466  1.00  0.00           C
ATOM     46  NE  ARG A   4      57.036   2.988  -1.245  1.00  0.00           N
ATOM     47  CZ  ARG A   4      58.105   2.489  -0.687  1.00  0.00           C
ATOM     48  NH1 ARG A   4      57.994   1.534   0.196  1.00  0.00           N
ATOM     49  NH2 ARG A   4      59.284   2.943  -1.014  1.00  0.00           N
ATOM      0  HA  ARG A   4      55.407   5.754   2.601  1.00  0.00           H   new
ATOM      0  HB2 ARG A   4      54.261   3.097   1.778  1.00  0.00           H   new
ATOM      0  HB3 ARG A   4      54.005   4.631   0.969  1.00  0.00           H   new
ATOM      0  HG2 ARG A   4      56.460   4.859   0.580  1.00  0.00           H   new
ATOM      0  HG3 ARG A   4      56.751   3.361   1.441  1.00  0.00           H   new
ATOM      0  HD2 ARG A   4      55.393   2.105  -0.225  1.00  0.00           H   new
ATOM      0  HD3 ARG A   4      55.006   3.594  -1.063  1.00  0.00           H   new
ATOM      0  HE  ARG A   4      57.067   3.303  -2.215  1.00  0.00           H   new
ATOM      0 HH11 ARG A   4      57.072   1.178   0.449  1.00  0.00           H   new
ATOM      0 HH12 ARG A   4      58.829   1.143   0.633  1.00  0.00           H   new
ATOM      0 HH21 ARG A   4      59.370   3.688  -1.706  1.00  0.00           H   new
ATOM      0 HH22 ARG A   4      60.120   2.553  -0.578  1.00  0.00           H   new
ATOM     63  N   TRP A   5      53.622   4.497   4.788  1.00  0.00           N
ATOM     64  CA  TRP A   5      52.461   4.642   5.663  1.00  0.00           C
ATOM     65  C   TRP A   5      51.988   6.096   5.677  1.00  0.00           C
ATOM     66  O   TRP A   5      50.848   6.391   6.036  1.00  0.00           O
ATOM     67  CB  TRP A   5      52.838   4.228   7.081  1.00  0.00           C
ATOM     68  CG  TRP A   5      51.619   4.246   7.946  1.00  0.00           C
ATOM     69  CD1 TRP A   5      51.418   5.087   8.989  1.00  0.00           C
ATOM     70  CD2 TRP A   5      50.431   3.404   7.864  1.00  0.00           C
ATOM     71  NE1 TRP A   5      50.184   4.818   9.555  1.00  0.00           N
ATOM     72  CE2 TRP A   5      49.534   3.791   8.901  1.00  0.00           C
ATOM     73  CE3 TRP A   5      50.042   2.349   6.999  1.00  0.00           C
ATOM     74  CZ2 TRP A   5      48.292   3.153   9.074  1.00  0.00           C
ATOM     75  CZ3 TRP A   5      48.795   1.705   7.170  1.00  0.00           C
ATOM     76  CH2 TRP A   5      47.922   2.107   8.206  1.00  0.00           C
ATOM      0  H   TRP A   5      54.366   3.913   5.169  1.00  0.00           H   new
ATOM      0  HA  TRP A   5      51.658   4.006   5.290  1.00  0.00           H   new
ATOM      0  HB2 TRP A   5      53.278   3.231   7.075  1.00  0.00           H   new
ATOM      0  HB3 TRP A   5      53.591   4.907   7.481  1.00  0.00           H   new
ATOM      0  HD1 TRP A   5      52.110   5.845   9.325  1.00  0.00           H   new
ATOM      0  HE1 TRP A   5      49.802   5.318  10.358  1.00  0.00           H   new
ATOM      0  HE3 TRP A   5      50.703   2.036   6.204  1.00  0.00           H   new
ATOM      0  HZ2 TRP A   5      47.627   3.463   9.867  1.00  0.00           H   new
ATOM      0  HZ3 TRP A   5      48.509   0.903   6.506  1.00  0.00           H   new
ATOM      0  HH2 TRP A   5      46.970   1.612   8.332  1.00  0.00           H   new
ATOM     87  N   LEU A   6      52.888   7.000   5.278  1.00  0.00           N
ATOM     88  CA  LEU A   6      52.593   8.431   5.232  1.00  0.00           C
ATOM     89  C   LEU A   6      52.458   8.915   3.787  1.00  0.00           C
ATOM     90  O   LEU A   6      51.842   9.952   3.539  1.00  0.00           O
ATOM     91  CB  LEU A   6      53.715   9.214   5.925  1.00  0.00           C
ATOM     92  CG  LEU A   6      54.072   8.555   7.265  1.00  0.00           C
ATOM     93  CD1 LEU A   6      55.197   9.353   7.932  1.00  0.00           C
ATOM     94  CD2 LEU A   6      52.840   8.532   8.184  1.00  0.00           C
ATOM      0  H   LEU A   6      53.834   6.761   4.980  1.00  0.00           H   new
ATOM      0  HA  LEU A   6      51.648   8.601   5.748  1.00  0.00           H   new
ATOM      0  HB2 LEU A   6      54.595   9.248   5.283  1.00  0.00           H   new
ATOM      0  HB3 LEU A   6      53.401  10.244   6.091  1.00  0.00           H   new
ATOM      0  HG  LEU A   6      54.400   7.531   7.089  1.00  0.00           H   new
ATOM      0 HD11 LEU A   6      55.456   8.891   8.885  1.00  0.00           H   new
ATOM      0 HD12 LEU A   6      56.072   9.360   7.283  1.00  0.00           H   new
ATOM      0 HD13 LEU A   6      54.864  10.377   8.104  1.00  0.00           H   new
ATOM      0 HD21 LEU A   6      53.102   8.063   9.132  1.00  0.00           H   new
ATOM      0 HD22 LEU A   6      52.502   9.552   8.365  1.00  0.00           H   new
ATOM      0 HD23 LEU A   6      52.041   7.964   7.707  1.00  0.00           H   new
ATOM    106  N   GLU A   7      53.030   8.176   2.830  1.00  0.00           N
ATOM    107  CA  GLU A   7      52.938   8.590   1.430  1.00  0.00           C
ATOM    108  C   GLU A   7      51.518   8.365   0.907  1.00  0.00           C
ATOM    109  O   GLU A   7      51.172   8.802  -0.191  1.00  0.00           O
ATOM    110  CB  GLU A   7      53.949   7.806   0.575  1.00  0.00           C
ATOM    111  CG  GLU A   7      54.266   8.576  -0.715  1.00  0.00           C
ATOM    112  CD  GLU A   7      55.137   9.792  -0.388  1.00  0.00           C
ATOM    113  OE1 GLU A   7      56.322   9.604  -0.168  1.00  0.00           O
ATOM    114  OE2 GLU A   7      54.604  10.889  -0.365  1.00  0.00           O
ATOM      0  H   GLU A   7      53.547   7.312   2.994  1.00  0.00           H   new
ATOM      0  HA  GLU A   7      53.173   9.652   1.363  1.00  0.00           H   new
ATOM      0  HB2 GLU A   7      54.865   7.641   1.143  1.00  0.00           H   new
ATOM      0  HB3 GLU A   7      53.544   6.824   0.330  1.00  0.00           H   new
ATOM      0  HG2 GLU A   7      54.783   7.926  -1.421  1.00  0.00           H   new
ATOM      0  HG3 GLU A   7      53.342   8.897  -1.195  1.00  0.00           H   new
ATOM    121  N   ARG A   8      50.703   7.680   1.704  1.00  0.00           N
ATOM    122  CA  ARG A   8      49.326   7.401   1.316  1.00  0.00           C
ATOM    123  C   ARG A   8      48.595   8.696   0.970  1.00  0.00           C
ATOM    124  O   ARG A   8      48.511   9.611   1.790  1.00  0.00           O
ATOM    125  CB  ARG A   8      48.596   6.679   2.462  1.00  0.00           C
ATOM    126  CG  ARG A   8      47.303   6.002   1.943  1.00  0.00           C
ATOM    127  CD  ARG A   8      47.605   4.588   1.419  1.00  0.00           C
ATOM    128  NE  ARG A   8      46.498   4.145   0.525  1.00  0.00           N
ATOM    129  CZ  ARG A   8      45.330   3.853   1.028  1.00  0.00           C
ATOM    130  NH1 ARG A   8      44.249   4.057   0.327  1.00  0.00           N
ATOM    131  NH2 ARG A   8      45.243   3.358   2.233  1.00  0.00           N
ATOM      0  H   ARG A   8      50.971   7.310   2.616  1.00  0.00           H   new
ATOM      0  HA  ARG A   8      49.336   6.760   0.434  1.00  0.00           H   new
ATOM      0  HB2 ARG A   8      49.253   5.930   2.904  1.00  0.00           H   new
ATOM      0  HB3 ARG A   8      48.349   7.391   3.249  1.00  0.00           H   new
ATOM      0  HG2 ARG A   8      46.567   5.949   2.745  1.00  0.00           H   new
ATOM      0  HG3 ARG A   8      46.865   6.605   1.147  1.00  0.00           H   new
ATOM      0  HD2 ARG A   8      48.550   4.584   0.876  1.00  0.00           H   new
ATOM      0  HD3 ARG A   8      47.714   3.895   2.253  1.00  0.00           H   new
ATOM      0  HE  ARG A   8      46.653   4.070  -0.480  1.00  0.00           H   new
ATOM      0 HH11 ARG A   8      44.317   4.445  -0.614  1.00  0.00           H   new
ATOM      0 HH12 ARG A   8      43.336   3.829   0.720  1.00  0.00           H   new
ATOM      0 HH21 ARG A   8      46.088   3.199   2.781  1.00  0.00           H   new
ATOM      0 HH22 ARG A   8      44.330   3.130   2.626  1.00  0.00           H   new
ATOM    145  N   ILE A   9      48.074   8.769  -0.250  1.00  0.00           N
ATOM    146  CA  ILE A   9      47.358   9.961  -0.694  1.00  0.00           C
ATOM    147  C   ILE A   9      46.030  10.105   0.044  1.00  0.00           C
ATOM    148  O   ILE A   9      45.299  11.073  -0.161  1.00  0.00           O
ATOM    149  CB  ILE A   9      47.088   9.926  -2.216  1.00  0.00           C
ATOM    150  CG1 ILE A   9      46.437   8.588  -2.630  1.00  0.00           C
ATOM    151  CG2 ILE A   9      48.416  10.082  -2.961  1.00  0.00           C
ATOM    152  CD1 ILE A   9      44.980   8.485  -2.117  1.00  0.00           C
ATOM      0  H   ILE A   9      48.133   8.024  -0.944  1.00  0.00           H   new
ATOM      0  HA  ILE A   9      47.995  10.816  -0.468  1.00  0.00           H   new
ATOM      0  HB  ILE A   9      46.407  10.739  -2.468  1.00  0.00           H   new
ATOM      0 HG12 ILE A   9      46.449   8.497  -3.716  1.00  0.00           H   new
ATOM      0 HG13 ILE A   9      47.023   7.759  -2.234  1.00  0.00           H   new
ATOM      0 HG21 ILE A   9      48.235  10.058  -4.036  1.00  0.00           H   new
ATOM      0 HG22 ILE A   9      48.875  11.033  -2.691  1.00  0.00           H   new
ATOM      0 HG23 ILE A   9      49.085   9.266  -2.688  1.00  0.00           H   new
ATOM      0 HD11 ILE A   9      44.552   7.531  -2.426  1.00  0.00           H   new
ATOM      0 HD12 ILE A   9      44.972   8.551  -1.029  1.00  0.00           H   new
ATOM      0 HD13 ILE A   9      44.389   9.300  -2.534  1.00  0.00           H   new
ATOM    164  N   GLY A  10      45.722   9.137   0.901  1.00  0.00           N
ATOM    165  CA  GLY A  10      44.483   9.167   1.658  1.00  0.00           C
ATOM    166  C   GLY A  10      44.535  10.155   2.801  1.00  0.00           C
ATOM    167  O   GLY A  10      44.590   9.766   3.969  1.00  0.00           O
ATOM      0  H   GLY A  10      46.313   8.326   1.086  1.00  0.00           H   new
ATOM      0  HA2 GLY A  10      43.659   9.427   0.993  1.00  0.00           H   new
ATOM      0  HA3 GLY A  10      44.275   8.171   2.050  1.00  0.00           H   new
ATOM    171  N   LYS A  11      44.510  11.441   2.469  1.00  0.00           N
ATOM    172  CA  LYS A  11      44.545  12.482   3.489  1.00  0.00           C
ATOM    173  C   LYS A  11      43.465  12.223   4.531  1.00  0.00           C
ATOM    174  O   LYS A  11      43.623  12.558   5.706  1.00  0.00           O
ATOM    175  CB  LYS A  11      44.317  13.854   2.848  1.00  0.00           C
ATOM    176  CG  LYS A  11      44.568  14.958   3.883  1.00  0.00           C
ATOM    177  CD  LYS A  11      44.616  16.323   3.184  1.00  0.00           C
ATOM    178  CE  LYS A  11      43.244  16.667   2.589  1.00  0.00           C
ATOM    179  NZ  LYS A  11      43.181  18.129   2.311  1.00  0.00           N
ATOM      0  H   LYS A  11      44.466  11.786   1.510  1.00  0.00           H   new
ATOM      0  HA  LYS A  11      45.523  12.469   3.970  1.00  0.00           H   new
ATOM      0  HB2 LYS A  11      44.984  13.983   1.996  1.00  0.00           H   new
ATOM      0  HB3 LYS A  11      43.298  13.924   2.468  1.00  0.00           H   new
ATOM      0  HG2 LYS A  11      43.778  14.951   4.634  1.00  0.00           H   new
ATOM      0  HG3 LYS A  11      45.507  14.773   4.405  1.00  0.00           H   new
ATOM      0  HD2 LYS A  11      44.914  17.093   3.896  1.00  0.00           H   new
ATOM      0  HD3 LYS A  11      45.368  16.309   2.395  1.00  0.00           H   new
ATOM      0  HE2 LYS A  11      43.081  16.103   1.670  1.00  0.00           H   new
ATOM      0  HE3 LYS A  11      42.452  16.382   3.282  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  11      42.252  18.366   1.908  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  11      43.319  18.657   3.196  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  11      43.928  18.386   1.635  1.00  0.00           H   new
ATOM    193  N   ALA A  12      42.364  11.621   4.088  1.00  0.00           N
ATOM    194  CA  ALA A  12      41.257  11.315   4.983  1.00  0.00           C
ATOM    195  C   ALA A  12      40.307  10.320   4.329  1.00  0.00           C
ATOM    196  O   ALA A  12      39.324   9.894   4.936  1.00  0.00           O
ATOM    197  CB  ALA A  12      40.511  12.593   5.322  1.00  0.00           C
ATOM      0  H   ALA A  12      42.217  11.338   3.119  1.00  0.00           H   new
ATOM      0  HA  ALA A  12      41.652  10.871   5.897  1.00  0.00           H   new
ATOM      0  HB1 ALA A  12      39.682  12.364   5.992  1.00  0.00           H   new
ATOM      0  HB2 ALA A  12      41.190  13.292   5.811  1.00  0.00           H   new
ATOM      0  HB3 ALA A  12      40.124  13.042   4.407  1.00  0.00           H   new
ATOM    203  N   GLY A  13      40.606   9.955   3.087  1.00  0.00           N
ATOM    204  CA  GLY A  13      39.774   9.014   2.361  1.00  0.00           C
ATOM    205  C   GLY A  13      38.307   9.390   2.428  1.00  0.00           C
ATOM    206  O   GLY A  13      37.434   8.524   2.426  1.00  0.00           O
ATOM      0  H   GLY A  13      41.415  10.297   2.568  1.00  0.00           H   new
ATOM      0  HA2 GLY A  13      40.092   8.976   1.319  1.00  0.00           H   new
ATOM      0  HA3 GLY A  13      39.912   8.014   2.773  1.00  0.00           H   new
ATOM    210  N   PHE A  14      38.036  10.695   2.487  1.00  0.00           N
ATOM    211  CA  PHE A  14      36.658  11.191   2.556  1.00  0.00           C
ATOM    212  C   PHE A  14      36.535  12.514   1.805  1.00  0.00           C
ATOM    213  O   PHE A  14      35.432  13.005   1.568  1.00  0.00           O
ATOM    214  CB  PHE A  14      36.246  11.384   4.019  1.00  0.00           C
ATOM    215  CG  PHE A  14      34.761  11.678   4.097  1.00  0.00           C
ATOM    216  CD1 PHE A  14      34.303  12.945   4.534  1.00  0.00           C
ATOM    217  CD2 PHE A  14      33.826  10.683   3.732  1.00  0.00           C
ATOM    218  CE1 PHE A  14      32.919  13.211   4.604  1.00  0.00           C
ATOM    219  CE2 PHE A  14      32.442  10.951   3.803  1.00  0.00           C
ATOM    220  CZ  PHE A  14      31.989  12.215   4.238  1.00  0.00           C
ATOM      0  H   PHE A  14      38.748  11.425   2.488  1.00  0.00           H   new
ATOM      0  HA  PHE A  14      35.998  10.459   2.091  1.00  0.00           H   new
ATOM      0  HB2 PHE A  14      36.480  10.488   4.594  1.00  0.00           H   new
ATOM      0  HB3 PHE A  14      36.813  12.203   4.461  1.00  0.00           H   new
ATOM      0  HD1 PHE A  14      35.014  13.708   4.814  1.00  0.00           H   new
ATOM      0  HD2 PHE A  14      34.171   9.716   3.398  1.00  0.00           H   new
ATOM      0  HE1 PHE A  14      32.571  14.177   4.938  1.00  0.00           H   new
ATOM      0  HE2 PHE A  14      31.729  10.189   3.524  1.00  0.00           H   new
ATOM      0  HZ  PHE A  14      30.930  12.420   4.291  1.00  0.00           H   new
ATOM    230  N   ILE A  15      37.680  13.078   1.426  1.00  0.00           N
ATOM    231  CA  ILE A  15      37.705  14.341   0.687  1.00  0.00           C
ATOM    232  C   ILE A  15      39.007  14.464  -0.090  1.00  0.00           C
ATOM    233  O   ILE A  15      39.570  15.551  -0.211  1.00  0.00           O
ATOM    234  CB  ILE A  15      37.583  15.554   1.631  1.00  0.00           C
ATOM    235  CG1 ILE A  15      38.663  15.459   2.717  1.00  0.00           C
ATOM    236  CG2 ILE A  15      36.194  15.577   2.280  1.00  0.00           C
ATOM    237  CD1 ILE A  15      38.510  16.615   3.715  1.00  0.00           C
ATOM      0  H   ILE A  15      38.601  12.683   1.617  1.00  0.00           H   new
ATOM      0  HA  ILE A  15      36.853  14.336   0.007  1.00  0.00           H   new
ATOM      0  HB  ILE A  15      37.718  16.472   1.060  1.00  0.00           H   new
ATOM      0 HG12 ILE A  15      38.583  14.505   3.238  1.00  0.00           H   new
ATOM      0 HG13 ILE A  15      39.652  15.491   2.261  1.00  0.00           H   new
ATOM      0 HG21 ILE A  15      36.117  16.437   2.945  1.00  0.00           H   new
ATOM      0 HG22 ILE A  15      35.431  15.649   1.505  1.00  0.00           H   new
ATOM      0 HG23 ILE A  15      36.045  14.661   2.852  1.00  0.00           H   new
ATOM      0 HD11 ILE A  15      39.281  16.538   4.482  1.00  0.00           H   new
ATOM      0 HD12 ILE A  15      38.613  17.565   3.190  1.00  0.00           H   new
ATOM      0 HD13 ILE A  15      37.527  16.564   4.183  1.00  0.00           H   new
ATOM    249  N   ILE A  16      39.481  13.337  -0.612  1.00  0.00           N
ATOM    250  CA  ILE A  16      40.724  13.314  -1.377  1.00  0.00           C
ATOM    251  C   ILE A  16      40.676  12.193  -2.417  1.00  0.00           C
ATOM    252  O   ILE A  16      41.397  12.222  -3.413  1.00  0.00           O
ATOM    253  CB  ILE A  16      41.924  13.106  -0.427  1.00  0.00           C
ATOM    254  CG1 ILE A  16      43.251  13.363  -1.168  1.00  0.00           C
ATOM    255  CG2 ILE A  16      41.917  11.673   0.120  1.00  0.00           C
ATOM    256  CD1 ILE A  16      43.395  14.854  -1.553  1.00  0.00           C
ATOM      0  H   ILE A  16      39.025  12.429  -0.520  1.00  0.00           H   new
ATOM      0  HA  ILE A  16      40.843  14.268  -1.891  1.00  0.00           H   new
ATOM      0  HB  ILE A  16      41.835  13.813   0.398  1.00  0.00           H   new
ATOM      0 HG12 ILE A  16      44.088  13.065  -0.536  1.00  0.00           H   new
ATOM      0 HG13 ILE A  16      43.295  12.747  -2.066  1.00  0.00           H   new
ATOM      0 HG21 ILE A  16      42.766  11.535   0.789  1.00  0.00           H   new
ATOM      0 HG22 ILE A  16      40.991  11.497   0.668  1.00  0.00           H   new
ATOM      0 HG23 ILE A  16      41.988  10.967  -0.708  1.00  0.00           H   new
ATOM      0 HD11 ILE A  16      44.340  15.006  -2.074  1.00  0.00           H   new
ATOM      0 HD12 ILE A  16      42.571  15.143  -2.205  1.00  0.00           H   new
ATOM      0 HD13 ILE A  16      43.376  15.466  -0.651  1.00  0.00           H   new
ATOM    268  N   ILE A  17      39.807  11.212  -2.175  1.00  0.00           N
ATOM    269  CA  ILE A  17      39.647  10.082  -3.096  1.00  0.00           C
ATOM    270  C   ILE A  17      38.594  10.419  -4.153  1.00  0.00           C
ATOM    271  O   ILE A  17      38.240   9.581  -4.982  1.00  0.00           O
ATOM    272  CB  ILE A  17      39.221   8.791  -2.335  1.00  0.00           C
ATOM    273  CG1 ILE A  17      38.234   9.132  -1.206  1.00  0.00           C
ATOM    274  CG2 ILE A  17      40.455   8.124  -1.719  1.00  0.00           C
ATOM    275  CD1 ILE A  17      36.994   9.841  -1.768  1.00  0.00           C
ATOM      0  H   ILE A  17      39.204  11.175  -1.353  1.00  0.00           H   new
ATOM      0  HA  ILE A  17      40.609   9.899  -3.576  1.00  0.00           H   new
ATOM      0  HB  ILE A  17      38.742   8.117  -3.045  1.00  0.00           H   new
ATOM      0 HG12 ILE A  17      37.935   8.220  -0.689  1.00  0.00           H   new
ATOM      0 HG13 ILE A  17      38.722   9.770  -0.470  1.00  0.00           H   new
ATOM      0 HG21 ILE A  17      40.154   7.221  -1.187  1.00  0.00           H   new
ATOM      0 HG22 ILE A  17      41.159   7.862  -2.509  1.00  0.00           H   new
ATOM      0 HG23 ILE A  17      40.931   8.813  -1.022  1.00  0.00           H   new
ATOM      0 HD11 ILE A  17      36.308  10.074  -0.954  1.00  0.00           H   new
ATOM      0 HD12 ILE A  17      37.296  10.764  -2.263  1.00  0.00           H   new
ATOM      0 HD13 ILE A  17      36.497   9.189  -2.486  1.00  0.00           H   new
ATOM    287  N   GLY A  18      38.101  11.653  -4.111  1.00  0.00           N
ATOM    288  CA  GLY A  18      37.095  12.095  -5.059  1.00  0.00           C
ATOM    289  C   GLY A  18      36.916  13.601  -5.030  1.00  0.00           C
ATOM    290  O   GLY A  18      36.686  14.228  -6.064  1.00  0.00           O
ATOM      0  H   GLY A  18      38.383  12.359  -3.432  1.00  0.00           H   new
ATOM      0  HA2 GLY A  18      37.380  11.782  -6.064  1.00  0.00           H   new
ATOM      0  HA3 GLY A  18      36.145  11.612  -4.832  1.00  0.00           H   new
ATOM    294  N   GLY A  19      37.024  14.184  -3.839  1.00  0.00           N
ATOM    295  CA  GLY A  19      36.875  15.621  -3.688  1.00  0.00           C
ATOM    296  C   GLY A  19      38.096  16.371  -4.182  1.00  0.00           C
ATOM    297  O   GLY A  19      38.108  17.602  -4.218  1.00  0.00           O
ATOM      0  H   GLY A  19      37.213  13.683  -2.971  1.00  0.00           H   new
ATOM      0  HA2 GLY A  19      35.996  15.955  -4.240  1.00  0.00           H   new
ATOM      0  HA3 GLY A  19      36.702  15.860  -2.639  1.00  0.00           H   new
ATOM    301  N   ALA A  20      39.127  15.625  -4.565  1.00  0.00           N
ATOM    302  CA  ALA A  20      40.358  16.234  -5.058  1.00  0.00           C
ATOM    303  C   ALA A  20      40.113  16.924  -6.398  1.00  0.00           C
ATOM    304  O   ALA A  20      40.371  18.118  -6.547  1.00  0.00           O
ATOM    305  CB  ALA A  20      41.435  15.171  -5.209  1.00  0.00           C
ATOM      0  H   ALA A  20      39.136  14.605  -4.544  1.00  0.00           H   new
ATOM      0  HA  ALA A  20      40.691  16.982  -4.339  1.00  0.00           H   new
ATOM      0  HB1 ALA A  20      42.352  15.632  -5.577  1.00  0.00           H   new
ATOM      0  HB2 ALA A  20      41.626  14.706  -4.242  1.00  0.00           H   new
ATOM      0  HB3 ALA A  20      41.101  14.412  -5.916  1.00  0.00           H   new
ATOM    311  N   LEU A  21      39.614  16.162  -7.365  1.00  0.00           N
ATOM    312  CA  LEU A  21      39.335  16.705  -8.691  1.00  0.00           C
ATOM    313  C   LEU A  21      40.631  17.157  -9.367  1.00  0.00           C
ATOM    314  O   LEU A  21      40.616  17.644 -10.499  1.00  0.00           O
ATOM    315  CB  LEU A  21      38.352  17.890  -8.570  1.00  0.00           C
ATOM    316  CG  LEU A  21      37.601  18.121  -9.909  1.00  0.00           C
ATOM    317  CD1 LEU A  21      36.366  17.211 -10.000  1.00  0.00           C
ATOM    318  CD2 LEU A  21      37.139  19.582 -10.000  1.00  0.00           C
ATOM      0  H   LEU A  21      39.395  15.172  -7.258  1.00  0.00           H   new
ATOM      0  HA  LEU A  21      38.882  15.927  -9.305  1.00  0.00           H   new
ATOM      0  HB2 LEU A  21      37.634  17.693  -7.774  1.00  0.00           H   new
ATOM      0  HB3 LEU A  21      38.896  18.793  -8.292  1.00  0.00           H   new
ATOM      0  HG  LEU A  21      38.283  17.889 -10.727  1.00  0.00           H   new
ATOM      0 HD11 LEU A  21      35.853  17.387 -10.945  1.00  0.00           H   new
ATOM      0 HD12 LEU A  21      36.678  16.168  -9.946  1.00  0.00           H   new
ATOM      0 HD13 LEU A  21      35.690  17.431  -9.174  1.00  0.00           H   new
ATOM      0 HD21 LEU A  21      36.613  19.739 -10.941  1.00  0.00           H   new
ATOM      0 HD22 LEU A  21      36.470  19.805  -9.169  1.00  0.00           H   new
ATOM      0 HD23 LEU A  21      38.006  20.241  -9.955  1.00  0.00           H   new
ATOM    330  N   ASP A  22      41.750  16.993  -8.666  1.00  0.00           N
ATOM    331  CA  ASP A  22      43.048  17.388  -9.206  1.00  0.00           C
ATOM    332  C   ASP A  22      43.548  16.356 -10.213  1.00  0.00           C
ATOM    333  O   ASP A  22      44.754  16.156 -10.363  1.00  0.00           O
ATOM    334  CB  ASP A  22      44.064  17.526  -8.071  1.00  0.00           C
ATOM    335  CG  ASP A  22      45.377  18.083  -8.625  1.00  0.00           C
ATOM    336  OD1 ASP A  22      46.405  17.471  -8.386  1.00  0.00           O
ATOM    337  OD2 ASP A  22      45.333  19.111  -9.280  1.00  0.00           O
ATOM      0  H   ASP A  22      41.785  16.592  -7.729  1.00  0.00           H   new
ATOM      0  HA  ASP A  22      42.933  18.347  -9.712  1.00  0.00           H   new
ATOM      0  HB2 ASP A  22      43.674  18.188  -7.298  1.00  0.00           H   new
ATOM      0  HB3 ASP A  22      44.237  16.557  -7.603  1.00  0.00           H   new
ATOM    342  N   HIS A  23      42.616  15.705 -10.901  1.00  0.00           N
ATOM    343  CA  HIS A  23      42.977  14.696 -11.892  1.00  0.00           C
ATOM    344  C   HIS A  23      43.939  13.676 -11.289  1.00  0.00           C
ATOM    345  O   HIS A  23      45.096  13.583 -11.701  1.00  0.00           O
ATOM    346  CB  HIS A  23      43.632  15.363 -13.103  1.00  0.00           C
ATOM    347  CG  HIS A  23      42.637  16.269 -13.775  1.00  0.00           C
ATOM    348  ND1 HIS A  23      42.661  17.645 -13.608  1.00  0.00           N
ATOM    349  CD2 HIS A  23      41.584  16.012 -14.618  1.00  0.00           C
ATOM    350  CE1 HIS A  23      41.652  18.160 -14.333  1.00  0.00           C
ATOM    351  NE2 HIS A  23      40.964  17.207 -14.969  1.00  0.00           N
ATOM      0  H   HIS A  23      41.613  15.856 -10.793  1.00  0.00           H   new
ATOM      0  HA  HIS A  23      42.069  14.182 -12.208  1.00  0.00           H   new
ATOM      0  HB2 HIS A  23      44.506  15.934 -12.789  1.00  0.00           H   new
ATOM      0  HB3 HIS A  23      43.982  14.605 -13.804  1.00  0.00           H   new
ATOM      0  HD2 HIS A  23      41.283  15.032 -14.957  1.00  0.00           H   new
ATOM      0  HE1 HIS A  23      41.426  19.214 -14.394  1.00  0.00           H   new
ATOM      0  HE2 HIS A  23      40.157  17.330 -15.581  1.00  0.00           H   new
ATOM    359  N   LEU A  24      43.453  12.914 -10.316  1.00  0.00           N
ATOM    360  CA  LEU A  24      44.281  11.905  -9.665  1.00  0.00           C
ATOM    361  C   LEU A  24      43.412  10.984  -8.807  1.00  0.00           C
ATOM    362  O   LEU A  24      42.659  10.162  -9.329  1.00  0.00           O
ATOM    363  CB  LEU A  24      45.351  12.597  -8.797  1.00  0.00           C
ATOM    364  CG  LEU A  24      46.571  11.681  -8.605  1.00  0.00           C
ATOM    365  CD1 LEU A  24      47.621  12.415  -7.763  1.00  0.00           C
ATOM    366  CD2 LEU A  24      46.153  10.381  -7.895  1.00  0.00           C
ATOM      0  H   LEU A  24      42.498  12.974  -9.963  1.00  0.00           H   new
ATOM      0  HA  LEU A  24      44.777  11.301 -10.425  1.00  0.00           H   new
ATOM      0  HB2 LEU A  24      45.661  13.530  -9.268  1.00  0.00           H   new
ATOM      0  HB3 LEU A  24      44.928  12.855  -7.826  1.00  0.00           H   new
ATOM      0  HG  LEU A  24      46.989  11.428  -9.579  1.00  0.00           H   new
ATOM      0 HD11 LEU A  24      48.489  11.771  -7.623  1.00  0.00           H   new
ATOM      0 HD12 LEU A  24      47.925  13.328  -8.275  1.00  0.00           H   new
ATOM      0 HD13 LEU A  24      47.196  12.668  -6.792  1.00  0.00           H   new
ATOM      0 HD21 LEU A  24      47.026   9.741  -7.765  1.00  0.00           H   new
ATOM      0 HD22 LEU A  24      45.729  10.619  -6.920  1.00  0.00           H   new
ATOM      0 HD23 LEU A  24      45.408   9.861  -8.497  1.00  0.00           H   new