USER  MOD reduce.3.24.130724 H: found=0, std=0, add=174, rem=0, adj=1
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+    156:sc=  -0.125   (180deg=-0.767)
USER  MOD Single : A  23 HIS     :     no HD1:sc=   -2.03! C(o=-2!,f=-3.5!)
USER  MOD -----------------------------------------------------------------
ATOM     39  N   ARG A   4      54.505   1.570   3.930  1.00  0.00           N
ATOM     40  CA  ARG A   4      53.297   2.068   4.142  1.00  0.00           C
ATOM     41  C   ARG A   4      53.277   3.570   4.027  1.00  0.00           C
ATOM     42  O   ARG A   4      52.233   4.217   4.015  1.00  0.00           O
ATOM     43  CB  ARG A   4      52.636   1.592   5.422  1.00  0.00           C
ATOM     44  CG  ARG A   4      52.788   0.075   5.552  1.00  0.00           C
ATOM     45  CD  ARG A   4      51.925  -0.425   6.712  1.00  0.00           C
ATOM     46  NE  ARG A   4      52.306   0.293   7.961  1.00  0.00           N
ATOM     47  CZ  ARG A   4      51.612   0.115   9.053  1.00  0.00           C
ATOM     48  NH1 ARG A   4      50.313   0.244   9.029  1.00  0.00           N
ATOM     49  NH2 ARG A   4      52.217  -0.190  10.168  1.00  0.00           N
ATOM      0  HA  ARG A   4      52.683   1.662   3.338  1.00  0.00           H   new
ATOM      0  HB2 ARG A   4      53.089   2.087   6.281  1.00  0.00           H   new
ATOM      0  HB3 ARG A   4      51.580   1.862   5.419  1.00  0.00           H   new
ATOM      0  HG2 ARG A   4      52.488  -0.412   4.624  1.00  0.00           H   new
ATOM      0  HG3 ARG A   4      53.833  -0.183   5.724  1.00  0.00           H   new
ATOM      0  HD2 ARG A   4      50.870  -0.259   6.492  1.00  0.00           H   new
ATOM      0  HD3 ARG A   4      52.059  -1.499   6.842  1.00  0.00           H   new
ATOM      0  HE  ARG A   4      53.108   0.923   7.963  1.00  0.00           H   new
ATOM      0 HH11 ARG A   4      49.840   0.484   8.158  1.00  0.00           H   new
ATOM      0 HH12 ARG A   4      49.771   0.105   9.882  1.00  0.00           H   new
ATOM      0 HH21 ARG A   4      53.232  -0.289  10.187  1.00  0.00           H   new
ATOM      0 HH22 ARG A   4      51.675  -0.329  11.021  1.00  0.00           H   new
ATOM     63  N   TRP A   5      54.479   4.096   3.959  1.00  0.00           N
ATOM     64  CA  TRP A   5      54.684   5.542   3.845  1.00  0.00           C
ATOM     65  C   TRP A   5      53.662   6.150   2.878  1.00  0.00           C
ATOM     66  O   TRP A   5      53.379   7.347   2.924  1.00  0.00           O
ATOM     67  CB  TRP A   5      56.104   5.832   3.347  1.00  0.00           C
ATOM     68  CG  TRP A   5      56.298   7.309   3.217  1.00  0.00           C
ATOM     69  CD1 TRP A   5      56.125   8.207   4.215  1.00  0.00           C
ATOM     70  CD2 TRP A   5      56.692   8.073   2.042  1.00  0.00           C
ATOM     71  NE1 TRP A   5      56.389   9.476   3.731  1.00  0.00           N
ATOM     72  CE2 TRP A   5      56.744   9.451   2.397  1.00  0.00           C
ATOM     73  CE3 TRP A   5      57.010   7.711   0.708  1.00  0.00           C
ATOM     74  CZ2 TRP A   5      57.098  10.439   1.461  1.00  0.00           C
ATOM     75  CZ3 TRP A   5      57.367   8.701  -0.238  1.00  0.00           C
ATOM     76  CH2 TRP A   5      57.410  10.063   0.139  1.00  0.00           C
ATOM      0  H   TRP A   5      55.340   3.550   3.980  1.00  0.00           H   new
ATOM      0  HA  TRP A   5      54.550   5.992   4.829  1.00  0.00           H   new
ATOM      0  HB2 TRP A   5      56.835   5.419   4.042  1.00  0.00           H   new
ATOM      0  HB3 TRP A   5      56.269   5.347   2.385  1.00  0.00           H   new
ATOM      0  HD1 TRP A   5      55.829   7.971   5.226  1.00  0.00           H   new
ATOM      0  HE1 TRP A   5      56.329  10.326   4.291  1.00  0.00           H   new
ATOM      0  HE3 TRP A   5      56.979   6.673   0.412  1.00  0.00           H   new
ATOM      0  HZ2 TRP A   5      57.131  11.478   1.753  1.00  0.00           H   new
ATOM      0  HZ3 TRP A   5      57.607   8.415  -1.251  1.00  0.00           H   new
ATOM      0  HH2 TRP A   5      57.682  10.816  -0.586  1.00  0.00           H   new
ATOM     87  N   LEU A   6      53.102   5.298   2.011  1.00  0.00           N
ATOM     88  CA  LEU A   6      52.096   5.721   1.034  1.00  0.00           C
ATOM     89  C   LEU A   6      50.716   5.182   1.420  1.00  0.00           C
ATOM     90  O   LEU A   6      49.695   5.761   1.048  1.00  0.00           O
ATOM     91  CB  LEU A   6      52.472   5.202  -0.360  1.00  0.00           C
ATOM     92  CG  LEU A   6      53.953   5.483  -0.651  1.00  0.00           C
ATOM     93  CD1 LEU A   6      54.309   4.913  -2.027  1.00  0.00           C
ATOM     94  CD2 LEU A   6      54.214   6.998  -0.639  1.00  0.00           C
ATOM      0  H   LEU A   6      53.332   4.305   1.968  1.00  0.00           H   new
ATOM      0  HA  LEU A   6      52.062   6.810   1.022  1.00  0.00           H   new
ATOM      0  HB2 LEU A   6      52.279   4.131  -0.421  1.00  0.00           H   new
ATOM      0  HB3 LEU A   6      51.849   5.682  -1.115  1.00  0.00           H   new
ATOM      0  HG  LEU A   6      54.568   5.012   0.116  1.00  0.00           H   new
ATOM      0 HD11 LEU A   6      55.360   5.109  -2.241  1.00  0.00           H   new
ATOM      0 HD12 LEU A   6      54.132   3.838  -2.032  1.00  0.00           H   new
ATOM      0 HD13 LEU A   6      53.689   5.387  -2.788  1.00  0.00           H   new
ATOM      0 HD21 LEU A   6      55.267   7.187  -0.846  1.00  0.00           H   new
ATOM      0 HD22 LEU A   6      53.602   7.479  -1.402  1.00  0.00           H   new
ATOM      0 HD23 LEU A   6      53.958   7.404   0.340  1.00  0.00           H   new
ATOM    106  N   GLU A   7      50.683   4.073   2.174  1.00  0.00           N
ATOM    107  CA  GLU A   7      49.416   3.478   2.602  1.00  0.00           C
ATOM    108  C   GLU A   7      49.033   3.996   3.986  1.00  0.00           C
ATOM    109  O   GLU A   7      48.024   3.583   4.558  1.00  0.00           O
ATOM    110  CB  GLU A   7      49.548   1.950   2.642  1.00  0.00           C
ATOM    111  CG  GLU A   7      49.616   1.400   1.215  1.00  0.00           C
ATOM    112  CD  GLU A   7      50.862   1.944   0.512  1.00  0.00           C
ATOM    113  OE1 GLU A   7      50.759   2.283  -0.655  1.00  0.00           O
ATOM    114  OE2 GLU A   7      51.898   2.012   1.153  1.00  0.00           O
ATOM      0  H   GLU A   7      51.514   3.576   2.496  1.00  0.00           H   new
ATOM      0  HA  GLU A   7      48.638   3.756   1.891  1.00  0.00           H   new
ATOM      0  HB2 GLU A   7      50.444   1.667   3.194  1.00  0.00           H   new
ATOM      0  HB3 GLU A   7      48.699   1.516   3.169  1.00  0.00           H   new
ATOM      0  HG2 GLU A   7      49.645   0.311   1.236  1.00  0.00           H   new
ATOM      0  HG3 GLU A   7      48.721   1.685   0.662  1.00  0.00           H   new
ATOM    121  N   ARG A   8      49.847   4.903   4.516  1.00  0.00           N
ATOM    122  CA  ARG A   8      49.587   5.474   5.833  1.00  0.00           C
ATOM    123  C   ARG A   8      48.180   6.061   5.890  1.00  0.00           C
ATOM    124  O   ARG A   8      47.293   5.511   6.543  1.00  0.00           O
ATOM    125  CB  ARG A   8      50.617   6.566   6.139  1.00  0.00           C
ATOM    126  CG  ARG A   8      50.553   6.937   7.623  1.00  0.00           C
ATOM    127  CD  ARG A   8      51.466   8.136   7.887  1.00  0.00           C
ATOM    128  NE  ARG A   8      51.273   8.610   9.287  1.00  0.00           N
ATOM    129  CZ  ARG A   8      52.108   9.468   9.806  1.00  0.00           C
ATOM    130  NH1 ARG A   8      52.010  10.734   9.509  1.00  0.00           N
ATOM    131  NH2 ARG A   8      53.041   9.059  10.622  1.00  0.00           N
ATOM      0  H   ARG A   8      50.687   5.257   4.058  1.00  0.00           H   new
ATOM      0  HA  ARG A   8      49.667   4.683   6.579  1.00  0.00           H   new
ATOM      0  HB2 ARG A   8      51.618   6.217   5.885  1.00  0.00           H   new
ATOM      0  HB3 ARG A   8      50.421   7.446   5.526  1.00  0.00           H   new
ATOM      0  HG2 ARG A   8      49.528   7.177   7.905  1.00  0.00           H   new
ATOM      0  HG3 ARG A   8      50.862   6.089   8.235  1.00  0.00           H   new
ATOM      0  HD2 ARG A   8      52.507   7.856   7.727  1.00  0.00           H   new
ATOM      0  HD3 ARG A   8      51.241   8.939   7.186  1.00  0.00           H   new
ATOM      0  HE  ARG A   8      50.488   8.264   9.839  1.00  0.00           H   new
ATOM      0 HH11 ARG A   8      51.281  11.053   8.871  1.00  0.00           H   new
ATOM      0 HH12 ARG A   8      52.663  11.405   9.915  1.00  0.00           H   new
ATOM      0 HH21 ARG A   8      53.117   8.069  10.854  1.00  0.00           H   new
ATOM      0 HH22 ARG A   8      53.694   9.730  11.028  1.00  0.00           H   new
ATOM    145  N   ILE A   9      47.982   7.178   5.198  1.00  0.00           N
ATOM    146  CA  ILE A   9      46.677   7.829   5.173  1.00  0.00           C
ATOM    147  C   ILE A   9      46.670   8.957   4.141  1.00  0.00           C
ATOM    148  O   ILE A   9      46.947  10.113   4.455  1.00  0.00           O
ATOM    149  CB  ILE A   9      46.304   8.379   6.580  1.00  0.00           C
ATOM    150  CG1 ILE A   9      44.964   9.146   6.530  1.00  0.00           C
ATOM    151  CG2 ILE A   9      47.416   9.311   7.117  1.00  0.00           C
ATOM    152  CD1 ILE A   9      43.848   8.249   5.965  1.00  0.00           C
ATOM      0  H   ILE A   9      48.703   7.649   4.651  1.00  0.00           H   new
ATOM      0  HA  ILE A   9      45.930   7.088   4.890  1.00  0.00           H   new
ATOM      0  HB  ILE A   9      46.200   7.528   7.253  1.00  0.00           H   new
ATOM      0 HG12 ILE A   9      44.695   9.484   7.531  1.00  0.00           H   new
ATOM      0 HG13 ILE A   9      45.071  10.036   5.911  1.00  0.00           H   new
ATOM      0 HG21 ILE A   9      47.134   9.684   8.102  1.00  0.00           H   new
ATOM      0 HG22 ILE A   9      48.351   8.756   7.193  1.00  0.00           H   new
ATOM      0 HG23 ILE A   9      47.548  10.151   6.435  1.00  0.00           H   new
ATOM      0 HD11 ILE A   9      42.912   8.807   5.938  1.00  0.00           H   new
ATOM      0 HD12 ILE A   9      44.112   7.932   4.956  1.00  0.00           H   new
ATOM      0 HD13 ILE A   9      43.729   7.372   6.601  1.00  0.00           H   new
ATOM    164  N   GLY A  10      46.358   8.605   2.895  1.00  0.00           N
ATOM    165  CA  GLY A  10      46.320   9.581   1.818  1.00  0.00           C
ATOM    166  C   GLY A  10      45.012  10.346   1.791  1.00  0.00           C
ATOM    167  O   GLY A  10      45.004  11.577   1.791  1.00  0.00           O
ATOM      0  H   GLY A  10      46.129   7.652   2.611  1.00  0.00           H   new
ATOM      0  HA2 GLY A  10      47.147  10.281   1.934  1.00  0.00           H   new
ATOM      0  HA3 GLY A  10      46.463   9.074   0.864  1.00  0.00           H   new
ATOM    171  N   LYS A  11      43.905   9.615   1.764  1.00  0.00           N
ATOM    172  CA  LYS A  11      42.589  10.241   1.734  1.00  0.00           C
ATOM    173  C   LYS A  11      42.409  11.170   2.928  1.00  0.00           C
ATOM    174  O   LYS A  11      42.129  10.721   4.039  1.00  0.00           O
ATOM    175  CB  LYS A  11      41.496   9.171   1.753  1.00  0.00           C
ATOM    176  CG  LYS A  11      41.635   8.279   0.518  1.00  0.00           C
ATOM    177  CD  LYS A  11      40.651   7.112   0.616  1.00  0.00           C
ATOM    178  CE  LYS A  11      40.920   6.120  -0.517  1.00  0.00           C
ATOM    179  NZ  LYS A  11      42.274   5.523  -0.343  1.00  0.00           N
ATOM      0  H   LYS A  11      43.891   8.595   1.762  1.00  0.00           H   new
ATOM      0  HA  LYS A  11      42.510  10.824   0.817  1.00  0.00           H   new
ATOM      0  HB2 LYS A  11      41.575   8.571   2.659  1.00  0.00           H   new
ATOM      0  HB3 LYS A  11      40.512   9.641   1.767  1.00  0.00           H   new
ATOM      0  HG2 LYS A  11      41.440   8.858  -0.385  1.00  0.00           H   new
ATOM      0  HG3 LYS A  11      42.655   7.903   0.441  1.00  0.00           H   new
ATOM      0  HD2 LYS A  11      40.755   6.615   1.581  1.00  0.00           H   new
ATOM      0  HD3 LYS A  11      39.627   7.480   0.556  1.00  0.00           H   new
ATOM      0  HE2 LYS A  11      40.162   5.336  -0.516  1.00  0.00           H   new
ATOM      0  HE3 LYS A  11      40.855   6.625  -1.481  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  11      42.311   4.601  -0.824  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  11      42.988   6.157  -0.754  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  11      42.469   5.393   0.670  1.00  0.00           H   new
ATOM    193  N   ALA A  12      42.562  12.468   2.690  1.00  0.00           N
ATOM    194  CA  ALA A  12      42.403  13.451   3.754  1.00  0.00           C
ATOM    195  C   ALA A  12      40.968  13.436   4.268  1.00  0.00           C
ATOM    196  O   ALA A  12      40.617  14.176   5.187  1.00  0.00           O
ATOM    197  CB  ALA A  12      42.756  14.836   3.236  1.00  0.00           C
ATOM      0  H   ALA A  12      42.794  12.861   1.778  1.00  0.00           H   new
ATOM      0  HA  ALA A  12      43.074  13.197   4.575  1.00  0.00           H   new
ATOM      0  HB1 ALA A  12      42.635  15.566   4.037  1.00  0.00           H   new
ATOM      0  HB2 ALA A  12      43.790  14.843   2.892  1.00  0.00           H   new
ATOM      0  HB3 ALA A  12      42.096  15.094   2.407  1.00  0.00           H   new
ATOM    203  N   GLY A  13      40.143  12.586   3.663  1.00  0.00           N
ATOM    204  CA  GLY A  13      38.752  12.477   4.056  1.00  0.00           C
ATOM    205  C   GLY A  13      38.042  13.815   3.988  1.00  0.00           C
ATOM    206  O   GLY A  13      36.891  13.942   4.406  1.00  0.00           O
ATOM      0  H   GLY A  13      40.418  11.966   2.901  1.00  0.00           H   new
ATOM      0  HA2 GLY A  13      38.245  11.763   3.406  1.00  0.00           H   new
ATOM      0  HA3 GLY A  13      38.691  12.084   5.071  1.00  0.00           H   new
ATOM    210  N   PHE A  14      38.737  14.812   3.444  1.00  0.00           N
ATOM    211  CA  PHE A  14      38.184  16.164   3.298  1.00  0.00           C
ATOM    212  C   PHE A  14      38.328  16.609   1.849  1.00  0.00           C
ATOM    213  O   PHE A  14      37.635  17.514   1.385  1.00  0.00           O
ATOM    214  CB  PHE A  14      38.932  17.136   4.215  1.00  0.00           C
ATOM    215  CG  PHE A  14      38.207  18.466   4.248  1.00  0.00           C
ATOM    216  CD1 PHE A  14      36.948  18.562   4.880  1.00  0.00           C
ATOM    217  CD2 PHE A  14      38.783  19.611   3.648  1.00  0.00           C
ATOM    218  CE1 PHE A  14      36.266  19.798   4.915  1.00  0.00           C
ATOM    219  CE2 PHE A  14      38.101  20.845   3.684  1.00  0.00           C
ATOM    220  CZ  PHE A  14      36.842  20.940   4.318  1.00  0.00           C
ATOM      0  H   PHE A  14      39.690  14.711   3.094  1.00  0.00           H   new
ATOM      0  HA  PHE A  14      37.130  16.157   3.576  1.00  0.00           H   new
ATOM      0  HB2 PHE A  14      39.000  16.723   5.221  1.00  0.00           H   new
ATOM      0  HB3 PHE A  14      39.952  17.276   3.858  1.00  0.00           H   new
ATOM      0  HD1 PHE A  14      36.506  17.689   5.337  1.00  0.00           H   new
ATOM      0  HD2 PHE A  14      39.745  19.540   3.162  1.00  0.00           H   new
ATOM      0  HE1 PHE A  14      35.303  19.870   5.399  1.00  0.00           H   new
ATOM      0  HE2 PHE A  14      38.542  21.718   3.226  1.00  0.00           H   new
ATOM      0  HZ  PHE A  14      36.321  21.886   4.346  1.00  0.00           H   new
ATOM    230  N   ILE A  15      39.235  15.942   1.139  1.00  0.00           N
ATOM    231  CA  ILE A  15      39.493  16.229  -0.270  1.00  0.00           C
ATOM    232  C   ILE A  15      39.878  14.926  -0.974  1.00  0.00           C
ATOM    233  O   ILE A  15      39.243  13.895  -0.755  1.00  0.00           O
ATOM    234  CB  ILE A  15      40.635  17.269  -0.427  1.00  0.00           C
ATOM    235  CG1 ILE A  15      40.501  18.334   0.673  1.00  0.00           C
ATOM    236  CG2 ILE A  15      40.553  17.941  -1.809  1.00  0.00           C
ATOM    237  CD1 ILE A  15      41.560  19.425   0.478  1.00  0.00           C
ATOM      0  H   ILE A  15      39.809  15.191   1.522  1.00  0.00           H   new
ATOM      0  HA  ILE A  15      38.592  16.649  -0.718  1.00  0.00           H   new
ATOM      0  HB  ILE A  15      41.597  16.764  -0.338  1.00  0.00           H   new
ATOM      0 HG12 ILE A  15      39.504  18.774   0.645  1.00  0.00           H   new
ATOM      0 HG13 ILE A  15      40.618  17.873   1.654  1.00  0.00           H   new
ATOM      0 HG21 ILE A  15      41.359  18.669  -1.908  1.00  0.00           H   new
ATOM      0 HG22 ILE A  15      40.649  17.184  -2.588  1.00  0.00           H   new
ATOM      0 HG23 ILE A  15      39.593  18.447  -1.911  1.00  0.00           H   new
ATOM      0 HD11 ILE A  15      41.458  20.176   1.262  1.00  0.00           H   new
ATOM      0 HD12 ILE A  15      42.554  18.980   0.529  1.00  0.00           H   new
ATOM      0 HD13 ILE A  15      41.422  19.896  -0.495  1.00  0.00           H   new
ATOM    249  N   ILE A  16      40.919  14.968  -1.800  1.00  0.00           N
ATOM    250  CA  ILE A  16      41.374  13.774  -2.508  1.00  0.00           C
ATOM    251  C   ILE A  16      40.219  13.115  -3.263  1.00  0.00           C
ATOM    252  O   ILE A  16      40.057  13.331  -4.463  1.00  0.00           O
ATOM    253  CB  ILE A  16      41.991  12.752  -1.521  1.00  0.00           C
ATOM    254  CG1 ILE A  16      43.060  13.446  -0.638  1.00  0.00           C
ATOM    255  CG2 ILE A  16      42.600  11.567  -2.298  1.00  0.00           C
ATOM    256  CD1 ILE A  16      44.040  14.275  -1.484  1.00  0.00           C
ATOM      0  H   ILE A  16      41.461  15.810  -1.995  1.00  0.00           H   new
ATOM      0  HA  ILE A  16      42.135  14.085  -3.223  1.00  0.00           H   new
ATOM      0  HB  ILE A  16      41.208  12.365  -0.869  1.00  0.00           H   new
ATOM      0 HG12 ILE A  16      42.569  14.093   0.089  1.00  0.00           H   new
ATOM      0 HG13 ILE A  16      43.611  12.694  -0.074  1.00  0.00           H   new
ATOM      0 HG21 ILE A  16      43.031  10.854  -1.595  1.00  0.00           H   new
ATOM      0 HG22 ILE A  16      41.821  11.076  -2.881  1.00  0.00           H   new
ATOM      0 HG23 ILE A  16      43.379  11.933  -2.967  1.00  0.00           H   new
ATOM      0 HD11 ILE A  16      44.775  14.747  -0.832  1.00  0.00           H   new
ATOM      0 HD12 ILE A  16      44.550  13.623  -2.193  1.00  0.00           H   new
ATOM      0 HD13 ILE A  16      43.491  15.044  -2.028  1.00  0.00           H   new
ATOM    268  N   ILE A  17      39.416  12.314  -2.566  1.00  0.00           N
ATOM    269  CA  ILE A  17      38.286  11.651  -3.207  1.00  0.00           C
ATOM    270  C   ILE A  17      37.180  12.668  -3.474  1.00  0.00           C
ATOM    271  O   ILE A  17      36.519  12.627  -4.512  1.00  0.00           O
ATOM    272  CB  ILE A  17      37.733  10.509  -2.321  1.00  0.00           C
ATOM    273  CG1 ILE A  17      36.467   9.891  -2.947  1.00  0.00           C
ATOM    274  CG2 ILE A  17      37.382  11.056  -0.934  1.00  0.00           C
ATOM    275  CD1 ILE A  17      36.734   9.460  -4.399  1.00  0.00           C
ATOM      0  H   ILE A  17      39.525  12.111  -1.572  1.00  0.00           H   new
ATOM      0  HA  ILE A  17      38.631  11.221  -4.147  1.00  0.00           H   new
ATOM      0  HB  ILE A  17      38.501   9.740  -2.240  1.00  0.00           H   new
ATOM      0 HG12 ILE A  17      36.148   9.030  -2.360  1.00  0.00           H   new
ATOM      0 HG13 ILE A  17      35.652  10.614  -2.921  1.00  0.00           H   new
ATOM      0 HG21 ILE A  17      36.993  10.249  -0.313  1.00  0.00           H   new
ATOM      0 HG22 ILE A  17      38.276  11.472  -0.470  1.00  0.00           H   new
ATOM      0 HG23 ILE A  17      36.627  11.836  -1.031  1.00  0.00           H   new
ATOM      0 HD11 ILE A  17      35.828   9.026  -4.822  1.00  0.00           H   new
ATOM      0 HD12 ILE A  17      37.030  10.328  -4.988  1.00  0.00           H   new
ATOM      0 HD13 ILE A  17      37.534   8.719  -4.418  1.00  0.00           H   new
ATOM    287  N   GLY A  18      36.992  13.589  -2.534  1.00  0.00           N
ATOM    288  CA  GLY A  18      35.977  14.614  -2.683  1.00  0.00           C
ATOM    289  C   GLY A  18      36.318  15.575  -3.804  1.00  0.00           C
ATOM    290  O   GLY A  18      35.493  15.844  -4.678  1.00  0.00           O
ATOM      0  H   GLY A  18      37.528  13.643  -1.668  1.00  0.00           H   new
ATOM      0  HA2 GLY A  18      35.013  14.146  -2.884  1.00  0.00           H   new
ATOM      0  HA3 GLY A  18      35.875  15.165  -1.748  1.00  0.00           H   new
ATOM    294  N   GLY A  19      37.545  16.088  -3.780  1.00  0.00           N
ATOM    295  CA  GLY A  19      37.998  17.015  -4.802  1.00  0.00           C
ATOM    296  C   GLY A  19      38.392  16.297  -6.078  1.00  0.00           C
ATOM    297  O   GLY A  19      37.987  16.689  -7.173  1.00  0.00           O
ATOM      0  H   GLY A  19      38.239  15.875  -3.064  1.00  0.00           H   new
ATOM      0  HA2 GLY A  19      37.207  17.733  -5.018  1.00  0.00           H   new
ATOM      0  HA3 GLY A  19      38.849  17.583  -4.426  1.00  0.00           H   new
ATOM    301  N   ALA A  20      39.185  15.238  -5.935  1.00  0.00           N
ATOM    302  CA  ALA A  20      39.632  14.461  -7.088  1.00  0.00           C
ATOM    303  C   ALA A  20      40.136  15.377  -8.201  1.00  0.00           C
ATOM    304  O   ALA A  20      39.765  15.218  -9.363  1.00  0.00           O
ATOM    305  CB  ALA A  20      38.487  13.604  -7.605  1.00  0.00           C
ATOM      0  H   ALA A  20      39.530  14.899  -5.037  1.00  0.00           H   new
ATOM      0  HA  ALA A  20      40.455  13.819  -6.773  1.00  0.00           H   new
ATOM      0  HB1 ALA A  20      38.825  13.026  -8.465  1.00  0.00           H   new
ATOM      0  HB2 ALA A  20      38.157  12.925  -6.819  1.00  0.00           H   new
ATOM      0  HB3 ALA A  20      37.658  14.246  -7.902  1.00  0.00           H   new
ATOM    311  N   LEU A  21      40.985  16.334  -7.837  1.00  0.00           N
ATOM    312  CA  LEU A  21      41.531  17.268  -8.817  1.00  0.00           C
ATOM    313  C   LEU A  21      42.477  16.548  -9.774  1.00  0.00           C
ATOM    314  O   LEU A  21      42.769  17.044 -10.862  1.00  0.00           O
ATOM    315  CB  LEU A  21      42.285  18.397  -8.105  1.00  0.00           C
ATOM    316  CG  LEU A  21      41.438  18.953  -6.953  1.00  0.00           C
ATOM    317  CD1 LEU A  21      42.218  20.068  -6.250  1.00  0.00           C
ATOM    318  CD2 LEU A  21      40.111  19.514  -7.495  1.00  0.00           C
ATOM      0  H   LEU A  21      41.307  16.483  -6.881  1.00  0.00           H   new
ATOM      0  HA  LEU A  21      40.703  17.689  -9.388  1.00  0.00           H   new
ATOM      0  HB2 LEU A  21      43.235  18.025  -7.721  1.00  0.00           H   new
ATOM      0  HB3 LEU A  21      42.517  19.193  -8.813  1.00  0.00           H   new
ATOM      0  HG  LEU A  21      41.219  18.152  -6.247  1.00  0.00           H   new
ATOM      0 HD11 LEU A  21      41.622  20.468  -5.430  1.00  0.00           H   new
ATOM      0 HD12 LEU A  21      43.152  19.667  -5.857  1.00  0.00           H   new
ATOM      0 HD13 LEU A  21      42.436  20.864  -6.962  1.00  0.00           H   new
ATOM      0 HD21 LEU A  21      39.517  19.906  -6.669  1.00  0.00           H   new
ATOM      0 HD22 LEU A  21      40.318  20.314  -8.206  1.00  0.00           H   new
ATOM      0 HD23 LEU A  21      39.557  18.719  -7.995  1.00  0.00           H   new
ATOM    330  N   ASP A  22      42.956  15.379  -9.361  1.00  0.00           N
ATOM    331  CA  ASP A  22      43.869  14.604 -10.194  1.00  0.00           C
ATOM    332  C   ASP A  22      43.278  14.393 -11.585  1.00  0.00           C
ATOM    333  O   ASP A  22      43.458  15.221 -12.478  1.00  0.00           O
ATOM    334  CB  ASP A  22      44.147  13.248  -9.543  1.00  0.00           C
ATOM    335  CG  ASP A  22      44.958  13.452  -8.261  1.00  0.00           C
ATOM    336  OD1 ASP A  22      46.125  13.098  -8.260  1.00  0.00           O
ATOM    337  OD2 ASP A  22      44.397  13.960  -7.305  1.00  0.00           O
ATOM      0  H   ASP A  22      42.730  14.951  -8.463  1.00  0.00           H   new
ATOM      0  HA  ASP A  22      44.803  15.158 -10.290  1.00  0.00           H   new
ATOM      0  HB2 ASP A  22      43.208  12.743  -9.315  1.00  0.00           H   new
ATOM      0  HB3 ASP A  22      44.694  12.607 -10.234  1.00  0.00           H   new
ATOM    342  N   HIS A  23      42.577  13.276 -11.762  1.00  0.00           N
ATOM    343  CA  HIS A  23      41.964  12.958 -13.051  1.00  0.00           C
ATOM    344  C   HIS A  23      40.650  13.714 -13.227  1.00  0.00           C
ATOM    345  O   HIS A  23      39.883  13.434 -14.148  1.00  0.00           O
ATOM    346  CB  HIS A  23      41.701  11.454 -13.145  1.00  0.00           C
ATOM    347  CG  HIS A  23      41.179  11.123 -14.516  1.00  0.00           C
ATOM    348  ND1 HIS A  23      41.338  11.979 -15.594  1.00  0.00           N
ATOM    349  CD2 HIS A  23      40.499  10.032 -14.999  1.00  0.00           C
ATOM    350  CE1 HIS A  23      40.764  11.394 -16.662  1.00  0.00           C
ATOM    351  NE2 HIS A  23      40.238  10.206 -16.355  1.00  0.00           N
ATOM      0  H   HIS A  23      42.419  12.579 -11.034  1.00  0.00           H   new
ATOM      0  HA  HIS A  23      42.652  13.261 -13.841  1.00  0.00           H   new
ATOM      0  HB2 HIS A  23      42.619  10.900 -12.950  1.00  0.00           H   new
ATOM      0  HB3 HIS A  23      40.979  11.152 -12.386  1.00  0.00           H   new
ATOM      0  HD2 HIS A  23      40.211   9.170 -14.415  1.00  0.00           H   new
ATOM      0  HE1 HIS A  23      40.733  11.833 -17.648  1.00  0.00           H   new
ATOM      0  HE2 HIS A  23      39.750   9.564 -16.980  1.00  0.00           H   new
ATOM    359  N   LEU A  24      40.397  14.672 -12.341  1.00  0.00           N
ATOM    360  CA  LEU A  24      39.170  15.459 -12.413  1.00  0.00           C
ATOM    361  C   LEU A  24      39.280  16.692 -11.516  1.00  0.00           C
ATOM    362  O   LEU A  24      39.696  17.762 -11.962  1.00  0.00           O
ATOM    363  CB  LEU A  24      37.976  14.590 -11.985  1.00  0.00           C
ATOM    364  CG  LEU A  24      36.697  15.435 -11.829  1.00  0.00           C
ATOM    365  CD1 LEU A  24      36.473  16.303 -13.079  1.00  0.00           C
ATOM    366  CD2 LEU A  24      35.501  14.497 -11.637  1.00  0.00           C
ATOM      0  H   LEU A  24      41.018  14.921 -11.571  1.00  0.00           H   new
ATOM      0  HA  LEU A  24      39.017  15.793 -13.439  1.00  0.00           H   new
ATOM      0  HB2 LEU A  24      37.809  13.807 -12.725  1.00  0.00           H   new
ATOM      0  HB3 LEU A  24      38.204  14.094 -11.042  1.00  0.00           H   new
ATOM      0  HG  LEU A  24      36.803  16.089 -10.964  1.00  0.00           H   new
ATOM      0 HD11 LEU A  24      35.566  16.894 -12.954  1.00  0.00           H   new
ATOM      0 HD12 LEU A  24      37.324  16.970 -13.216  1.00  0.00           H   new
ATOM      0 HD13 LEU A  24      36.370  15.661 -13.954  1.00  0.00           H   new
ATOM      0 HD21 LEU A  24      34.591  15.086 -11.526  1.00  0.00           H   new
ATOM      0 HD22 LEU A  24      35.407  13.845 -12.505  1.00  0.00           H   new
ATOM      0 HD23 LEU A  24      35.653  13.892 -10.743  1.00  0.00           H   new