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+   -151:sc=  -0.242   (180deg=-1.29!)
USER  MOD Single : A  23 HIS     :     no HD1:sc=   -3.35! C(o=-3.3!,f=-4!)
USER  MOD -----------------------------------------------------------------
ATOM     39  N   ARG A   4      53.781   2.743   7.710  1.00  0.00           N
ATOM     40  CA  ARG A   4      53.072   3.064   6.639  1.00  0.00           C
ATOM     41  C   ARG A   4      53.945   3.522   5.501  1.00  0.00           C
ATOM     42  O   ARG A   4      53.514   3.678   4.358  1.00  0.00           O
ATOM     43  CB  ARG A   4      51.941   4.040   6.905  1.00  0.00           C
ATOM     44  CG  ARG A   4      51.016   3.487   7.992  1.00  0.00           C
ATOM     45  CD  ARG A   4      49.965   4.537   8.351  1.00  0.00           C
ATOM     46  NE  ARG A   4      50.626   5.698   9.011  1.00  0.00           N
ATOM     47  CZ  ARG A   4      51.166   5.557  10.191  1.00  0.00           C
ATOM     48  NH1 ARG A   4      50.462   5.793  11.263  1.00  0.00           N
ATOM     49  NH2 ARG A   4      52.410   5.178  10.297  1.00  0.00           N
ATOM      0  HA  ARG A   4      52.585   2.136   6.338  1.00  0.00           H   new
ATOM      0  HB2 ARG A   4      52.346   5.003   7.216  1.00  0.00           H   new
ATOM      0  HB3 ARG A   4      51.376   4.213   5.989  1.00  0.00           H   new
ATOM      0  HG2 ARG A   4      50.530   2.576   7.642  1.00  0.00           H   new
ATOM      0  HG3 ARG A   4      51.595   3.220   8.876  1.00  0.00           H   new
ATOM      0  HD2 ARG A   4      49.442   4.865   7.453  1.00  0.00           H   new
ATOM      0  HD3 ARG A   4      49.217   4.105   9.016  1.00  0.00           H   new
ATOM      0  HE  ARG A   4      50.656   6.603   8.541  1.00  0.00           H   new
ATOM      0 HH11 ARG A   4      49.489   6.088  11.180  1.00  0.00           H   new
ATOM      0 HH12 ARG A   4      50.884   5.683  12.185  1.00  0.00           H   new
ATOM      0 HH21 ARG A   4      52.960   4.992   9.458  1.00  0.00           H   new
ATOM      0 HH22 ARG A   4      52.833   5.068  11.219  1.00  0.00           H   new
ATOM     63  N   TRP A   5      55.188   3.743   5.866  1.00  0.00           N
ATOM     64  CA  TRP A   5      56.204   4.193   4.914  1.00  0.00           C
ATOM     65  C   TRP A   5      56.061   3.434   3.592  1.00  0.00           C
ATOM     66  O   TRP A   5      56.534   3.884   2.548  1.00  0.00           O
ATOM     67  CB  TRP A   5      57.603   3.960   5.492  1.00  0.00           C
ATOM     68  CG  TRP A   5      58.624   4.634   4.631  1.00  0.00           C
ATOM     69  CD1 TRP A   5      59.491   3.996   3.810  1.00  0.00           C
ATOM     70  CD2 TRP A   5      58.897   6.058   4.491  1.00  0.00           C
ATOM     71  NE1 TRP A   5      60.283   4.936   3.173  1.00  0.00           N
ATOM     72  CE2 TRP A   5      59.960   6.222   3.556  1.00  0.00           C
ATOM     73  CE3 TRP A   5      58.335   7.219   5.080  1.00  0.00           C
ATOM     74  CZ2 TRP A   5      60.449   7.496   3.215  1.00  0.00           C
ATOM     75  CZ3 TRP A   5      58.824   8.503   4.739  1.00  0.00           C
ATOM     76  CH2 TRP A   5      59.878   8.640   3.808  1.00  0.00           C
ATOM      0  H   TRP A   5      55.531   3.620   6.819  1.00  0.00           H   new
ATOM      0  HA  TRP A   5      56.064   5.258   4.731  1.00  0.00           H   new
ATOM      0  HB2 TRP A   5      57.656   4.350   6.509  1.00  0.00           H   new
ATOM      0  HB3 TRP A   5      57.810   2.891   5.549  1.00  0.00           H   new
ATOM      0  HD1 TRP A   5      59.555   2.926   3.674  1.00  0.00           H   new
ATOM      0  HE1 TRP A   5      61.016   4.706   2.502  1.00  0.00           H   new
ATOM      0  HE3 TRP A   5      57.529   7.123   5.793  1.00  0.00           H   new
ATOM      0  HZ2 TRP A   5      61.256   7.597   2.504  1.00  0.00           H   new
ATOM      0  HZ3 TRP A   5      58.390   9.382   5.192  1.00  0.00           H   new
ATOM      0  HH2 TRP A   5      60.246   9.622   3.551  1.00  0.00           H   new
ATOM     87  N   LEU A   6      55.387   2.281   3.656  1.00  0.00           N
ATOM     88  CA  LEU A   6      55.149   1.441   2.482  1.00  0.00           C
ATOM     89  C   LEU A   6      53.646   1.296   2.219  1.00  0.00           C
ATOM     90  O   LEU A   6      53.243   0.884   1.131  1.00  0.00           O
ATOM     91  CB  LEU A   6      55.759   0.048   2.700  1.00  0.00           C
ATOM     92  CG  LEU A   6      57.183   0.168   3.259  1.00  0.00           C
ATOM     93  CD1 LEU A   6      57.728  -1.235   3.542  1.00  0.00           C
ATOM     94  CD2 LEU A   6      58.091   0.873   2.241  1.00  0.00           C
ATOM      0  H   LEU A   6      54.994   1.907   4.520  1.00  0.00           H   new
ATOM      0  HA  LEU A   6      55.618   1.917   1.621  1.00  0.00           H   new
ATOM      0  HB2 LEU A   6      55.138  -0.524   3.390  1.00  0.00           H   new
ATOM      0  HB3 LEU A   6      55.777  -0.500   1.758  1.00  0.00           H   new
ATOM      0  HG  LEU A   6      57.162   0.752   4.179  1.00  0.00           H   new
ATOM      0 HD11 LEU A   6      58.740  -1.159   3.940  1.00  0.00           H   new
ATOM      0 HD12 LEU A   6      57.088  -1.734   4.270  1.00  0.00           H   new
ATOM      0 HD13 LEU A   6      57.744  -1.812   2.618  1.00  0.00           H   new
ATOM      0 HD21 LEU A   6      59.099   0.953   2.647  1.00  0.00           H   new
ATOM      0 HD22 LEU A   6      58.117   0.297   1.316  1.00  0.00           H   new
ATOM      0 HD23 LEU A   6      57.702   1.870   2.036  1.00  0.00           H   new
ATOM    106  N   GLU A   7      52.810   1.628   3.217  1.00  0.00           N
ATOM    107  CA  GLU A   7      51.358   1.516   3.055  1.00  0.00           C
ATOM    108  C   GLU A   7      50.793   2.805   2.460  1.00  0.00           C
ATOM    109  O   GLU A   7      49.610   2.885   2.134  1.00  0.00           O
ATOM    110  CB  GLU A   7      50.708   1.235   4.420  1.00  0.00           C
ATOM    111  CG  GLU A   7      49.289   0.684   4.232  1.00  0.00           C
ATOM    112  CD  GLU A   7      48.698   0.324   5.596  1.00  0.00           C
ATOM    113  OE1 GLU A   7      48.552   1.220   6.411  1.00  0.00           O
ATOM    114  OE2 GLU A   7      48.403  -0.841   5.803  1.00  0.00           O
ATOM      0  H   GLU A   7      53.112   1.970   4.129  1.00  0.00           H   new
ATOM      0  HA  GLU A   7      51.136   0.693   2.375  1.00  0.00           H   new
ATOM      0  HB2 GLU A   7      51.312   0.519   4.977  1.00  0.00           H   new
ATOM      0  HB3 GLU A   7      50.674   2.151   5.010  1.00  0.00           H   new
ATOM      0  HG2 GLU A   7      48.662   1.425   3.736  1.00  0.00           H   new
ATOM      0  HG3 GLU A   7      49.311  -0.196   3.589  1.00  0.00           H   new
ATOM    121  N   ARG A   8      51.653   3.809   2.318  1.00  0.00           N
ATOM    122  CA  ARG A   8      51.233   5.090   1.759  1.00  0.00           C
ATOM    123  C   ARG A   8      50.166   5.732   2.649  1.00  0.00           C
ATOM    124  O   ARG A   8      50.327   5.805   3.867  1.00  0.00           O
ATOM    125  CB  ARG A   8      50.691   4.883   0.331  1.00  0.00           C
ATOM    126  CG  ARG A   8      50.697   6.217  -0.455  1.00  0.00           C
ATOM    127  CD  ARG A   8      52.063   6.446  -1.121  1.00  0.00           C
ATOM    128  NE  ARG A   8      52.012   7.690  -1.939  1.00  0.00           N
ATOM    129  CZ  ARG A   8      53.076   8.094  -2.578  1.00  0.00           C
ATOM    130  NH1 ARG A   8      53.143   9.316  -3.030  1.00  0.00           N
ATOM    131  NH2 ARG A   8      54.073   7.273  -2.767  1.00  0.00           N
ATOM      0  H   ARG A   8      52.638   3.762   2.580  1.00  0.00           H   new
ATOM      0  HA  ARG A   8      52.092   5.759   1.716  1.00  0.00           H   new
ATOM      0  HB2 ARG A   8      51.300   4.145  -0.191  1.00  0.00           H   new
ATOM      0  HB3 ARG A   8      49.677   4.486   0.376  1.00  0.00           H   new
ATOM      0  HG2 ARG A   8      49.914   6.202  -1.214  1.00  0.00           H   new
ATOM      0  HG3 ARG A   8      50.472   7.044   0.219  1.00  0.00           H   new
ATOM      0  HD2 ARG A   8      52.841   6.528  -0.362  1.00  0.00           H   new
ATOM      0  HD3 ARG A   8      52.321   5.594  -1.750  1.00  0.00           H   new
ATOM      0  HE  ARG A   8      51.146   8.226  -2.000  1.00  0.00           H   new
ATOM      0 HH11 ARG A   8      52.363   9.957  -2.884  1.00  0.00           H   new
ATOM      0 HH12 ARG A   8      53.975   9.630  -3.529  1.00  0.00           H   new
ATOM      0 HH21 ARG A   8      54.020   6.317  -2.416  1.00  0.00           H   new
ATOM      0 HH22 ARG A   8      54.905   7.587  -3.266  1.00  0.00           H   new
ATOM    145  N   ILE A   9      49.077   6.191   2.037  1.00  0.00           N
ATOM    146  CA  ILE A   9      47.995   6.818   2.790  1.00  0.00           C
ATOM    147  C   ILE A   9      46.724   6.879   1.944  1.00  0.00           C
ATOM    148  O   ILE A   9      46.723   7.431   0.844  1.00  0.00           O
ATOM    149  CB  ILE A   9      48.387   8.245   3.235  1.00  0.00           C
ATOM    150  CG1 ILE A   9      47.334   8.778   4.214  1.00  0.00           C
ATOM    151  CG2 ILE A   9      48.488   9.177   2.015  1.00  0.00           C
ATOM    152  CD1 ILE A   9      47.751  10.161   4.721  1.00  0.00           C
ATOM      0  H   ILE A   9      48.921   6.141   1.030  1.00  0.00           H   new
ATOM      0  HA  ILE A   9      47.810   6.212   3.677  1.00  0.00           H   new
ATOM      0  HB  ILE A   9      49.359   8.212   3.727  1.00  0.00           H   new
ATOM      0 HG12 ILE A   9      46.364   8.838   3.721  1.00  0.00           H   new
ATOM      0 HG13 ILE A   9      47.223   8.091   5.053  1.00  0.00           H   new
ATOM      0 HG21 ILE A   9      48.765  10.179   2.344  1.00  0.00           H   new
ATOM      0 HG22 ILE A   9      49.246   8.798   1.329  1.00  0.00           H   new
ATOM      0 HG23 ILE A   9      47.525   9.216   1.506  1.00  0.00           H   new
ATOM      0 HD11 ILE A   9      47.000  10.535   5.416  1.00  0.00           H   new
ATOM      0 HD12 ILE A   9      48.712  10.087   5.230  1.00  0.00           H   new
ATOM      0 HD13 ILE A   9      47.839  10.846   3.878  1.00  0.00           H   new
ATOM    164  N   GLY A  10      45.646   6.296   2.464  1.00  0.00           N
ATOM    165  CA  GLY A  10      44.374   6.277   1.755  1.00  0.00           C
ATOM    166  C   GLY A  10      43.579   7.548   1.972  1.00  0.00           C
ATOM    167  O   GLY A  10      42.349   7.540   1.912  1.00  0.00           O
ATOM      0  H   GLY A  10      45.630   5.832   3.372  1.00  0.00           H   new
ATOM      0  HA2 GLY A  10      44.556   6.142   0.689  1.00  0.00           H   new
ATOM      0  HA3 GLY A  10      43.787   5.422   2.089  1.00  0.00           H   new
ATOM    171  N   LYS A  11      44.284   8.651   2.227  1.00  0.00           N
ATOM    172  CA  LYS A  11      43.636   9.947   2.456  1.00  0.00           C
ATOM    173  C   LYS A  11      43.715  10.808   1.199  1.00  0.00           C
ATOM    174  O   LYS A  11      44.747  11.416   0.916  1.00  0.00           O
ATOM    175  CB  LYS A  11      44.323  10.672   3.618  1.00  0.00           C
ATOM    176  CG  LYS A  11      43.479  11.885   4.040  1.00  0.00           C
ATOM    177  CD  LYS A  11      44.218  12.715   5.110  1.00  0.00           C
ATOM    178  CE  LYS A  11      44.053  12.078   6.499  1.00  0.00           C
ATOM    179  NZ  LYS A  11      42.604  11.946   6.823  1.00  0.00           N
ATOM      0  H   LYS A  11      45.302   8.675   2.281  1.00  0.00           H   new
ATOM      0  HA  LYS A  11      42.588   9.776   2.703  1.00  0.00           H   new
ATOM      0  HB2 LYS A  11      44.448   9.992   4.461  1.00  0.00           H   new
ATOM      0  HB3 LYS A  11      45.320  10.996   3.319  1.00  0.00           H   new
ATOM      0  HG2 LYS A  11      43.268  12.508   3.171  1.00  0.00           H   new
ATOM      0  HG3 LYS A  11      42.519  11.548   4.432  1.00  0.00           H   new
ATOM      0  HD2 LYS A  11      45.276  12.783   4.858  1.00  0.00           H   new
ATOM      0  HD3 LYS A  11      43.828  13.733   5.122  1.00  0.00           H   new
ATOM      0  HE2 LYS A  11      44.531  11.098   6.519  1.00  0.00           H   new
ATOM      0  HE3 LYS A  11      44.549  12.690   7.252  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  11      42.473  11.997   7.853  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  11      42.075  12.717   6.368  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  11      42.252  11.032   6.474  1.00  0.00           H   new
ATOM    193  N   ALA A  12      42.615  10.859   0.452  1.00  0.00           N
ATOM    194  CA  ALA A  12      42.564  11.652  -0.771  1.00  0.00           C
ATOM    195  C   ALA A  12      42.292  13.113  -0.434  1.00  0.00           C
ATOM    196  O   ALA A  12      41.314  13.696  -0.899  1.00  0.00           O
ATOM    197  CB  ALA A  12      41.467  11.114  -1.677  1.00  0.00           C
ATOM      0  H   ALA A  12      41.751  10.363   0.672  1.00  0.00           H   new
ATOM      0  HA  ALA A  12      43.523  11.584  -1.285  1.00  0.00           H   new
ATOM      0  HB1 ALA A  12      41.428  11.706  -2.592  1.00  0.00           H   new
ATOM      0  HB2 ALA A  12      41.678  10.074  -1.926  1.00  0.00           H   new
ATOM      0  HB3 ALA A  12      40.508  11.176  -1.163  1.00  0.00           H   new
ATOM    203  N   GLY A  13      43.161  13.697   0.385  1.00  0.00           N
ATOM    204  CA  GLY A  13      42.997  15.081   0.781  1.00  0.00           C
ATOM    205  C   GLY A  13      41.611  15.339   1.337  1.00  0.00           C
ATOM    206  O   GLY A  13      40.936  16.281   0.932  1.00  0.00           O
ATOM      0  H   GLY A  13      43.978  13.233   0.782  1.00  0.00           H   new
ATOM      0  HA2 GLY A  13      43.745  15.337   1.532  1.00  0.00           H   new
ATOM      0  HA3 GLY A  13      43.172  15.729  -0.077  1.00  0.00           H   new
ATOM    210  N   PHE A  14      41.187  14.488   2.265  1.00  0.00           N
ATOM    211  CA  PHE A  14      39.867  14.626   2.874  1.00  0.00           C
ATOM    212  C   PHE A  14      38.776  14.555   1.809  1.00  0.00           C
ATOM    213  O   PHE A  14      37.841  15.356   1.811  1.00  0.00           O
ATOM    214  CB  PHE A  14      39.768  15.956   3.628  1.00  0.00           C
ATOM    215  CG  PHE A  14      38.522  15.963   4.488  1.00  0.00           C
ATOM    216  CD1 PHE A  14      37.396  16.727   4.107  1.00  0.00           C
ATOM    217  CD2 PHE A  14      38.485  15.200   5.677  1.00  0.00           C
ATOM    218  CE1 PHE A  14      36.236  16.728   4.912  1.00  0.00           C
ATOM    219  CE2 PHE A  14      37.325  15.202   6.481  1.00  0.00           C
ATOM    220  CZ  PHE A  14      36.200  15.965   6.100  1.00  0.00           C
ATOM      0  H   PHE A  14      41.734  13.699   2.611  1.00  0.00           H   new
ATOM      0  HA  PHE A  14      39.726  13.805   3.577  1.00  0.00           H   new
ATOM      0  HB2 PHE A  14      40.652  16.099   4.250  1.00  0.00           H   new
ATOM      0  HB3 PHE A  14      39.738  16.785   2.921  1.00  0.00           H   new
ATOM      0  HD1 PHE A  14      37.423  17.311   3.199  1.00  0.00           H   new
ATOM      0  HD2 PHE A  14      39.344  14.615   5.970  1.00  0.00           H   new
ATOM      0  HE1 PHE A  14      35.376  17.312   4.619  1.00  0.00           H   new
ATOM      0  HE2 PHE A  14      37.298  14.619   7.390  1.00  0.00           H   new
ATOM      0  HZ  PHE A  14      35.313  15.965   6.716  1.00  0.00           H   new
ATOM    230  N   ILE A  15      38.903  13.589   0.902  1.00  0.00           N
ATOM    231  CA  ILE A  15      37.927  13.413  -0.166  1.00  0.00           C
ATOM    232  C   ILE A  15      37.889  14.640  -1.065  1.00  0.00           C
ATOM    233  O   ILE A  15      36.901  15.374  -1.100  1.00  0.00           O
ATOM    234  CB  ILE A  15      36.516  13.153   0.402  1.00  0.00           C
ATOM    235  CG1 ILE A  15      36.608  12.110   1.527  1.00  0.00           C
ATOM    236  CG2 ILE A  15      35.598  12.634  -0.709  1.00  0.00           C
ATOM    237  CD1 ILE A  15      35.204  11.743   2.030  1.00  0.00           C
ATOM      0  H   ILE A  15      39.671  12.918   0.887  1.00  0.00           H   new
ATOM      0  HA  ILE A  15      38.235  12.545  -0.749  1.00  0.00           H   new
ATOM      0  HB  ILE A  15      36.106  14.082   0.797  1.00  0.00           H   new
ATOM      0 HG12 ILE A  15      37.116  11.217   1.163  1.00  0.00           H   new
ATOM      0 HG13 ILE A  15      37.205  12.504   2.350  1.00  0.00           H   new
ATOM      0 HG21 ILE A  15      34.603  12.452  -0.303  1.00  0.00           H   new
ATOM      0 HG22 ILE A  15      35.535  13.376  -1.505  1.00  0.00           H   new
ATOM      0 HG23 ILE A  15      36.002  11.705  -1.110  1.00  0.00           H   new
ATOM      0 HD11 ILE A  15      35.285  11.003   2.827  1.00  0.00           H   new
ATOM      0 HD12 ILE A  15      34.710  12.636   2.413  1.00  0.00           H   new
ATOM      0 HD13 ILE A  15      34.620  11.329   1.208  1.00  0.00           H   new
ATOM    249  N   ILE A  16      38.977  14.841  -1.805  1.00  0.00           N
ATOM    250  CA  ILE A  16      39.096  15.966  -2.734  1.00  0.00           C
ATOM    251  C   ILE A  16      39.648  15.451  -4.058  1.00  0.00           C
ATOM    252  O   ILE A  16      38.956  15.461  -5.072  1.00  0.00           O
ATOM    253  CB  ILE A  16      40.046  17.055  -2.168  1.00  0.00           C
ATOM    254  CG1 ILE A  16      39.428  17.710  -0.904  1.00  0.00           C
ATOM    255  CG2 ILE A  16      40.341  18.125  -3.235  1.00  0.00           C
ATOM    256  CD1 ILE A  16      38.401  18.805  -1.259  1.00  0.00           C
ATOM      0  H   ILE A  16      39.797  14.234  -1.779  1.00  0.00           H   new
ATOM      0  HA  ILE A  16      38.112  16.412  -2.878  1.00  0.00           H   new
ATOM      0  HB  ILE A  16      40.986  16.578  -1.889  1.00  0.00           H   new
ATOM      0 HG12 ILE A  16      38.945  16.943  -0.299  1.00  0.00           H   new
ATOM      0 HG13 ILE A  16      40.222  18.143  -0.296  1.00  0.00           H   new
ATOM      0 HG21 ILE A  16      41.009  18.879  -2.819  1.00  0.00           H   new
ATOM      0 HG22 ILE A  16      40.815  17.657  -4.098  1.00  0.00           H   new
ATOM      0 HG23 ILE A  16      39.408  18.597  -3.545  1.00  0.00           H   new
ATOM      0 HD11 ILE A  16      37.996  19.234  -0.343  1.00  0.00           H   new
ATOM      0 HD12 ILE A  16      38.889  19.587  -1.841  1.00  0.00           H   new
ATOM      0 HD13 ILE A  16      37.592  18.369  -1.844  1.00  0.00           H   new
ATOM    268  N   ILE A  17      40.892  14.981  -4.040  1.00  0.00           N
ATOM    269  CA  ILE A  17      41.498  14.444  -5.252  1.00  0.00           C
ATOM    270  C   ILE A  17      40.841  13.111  -5.587  1.00  0.00           C
ATOM    271  O   ILE A  17      40.869  12.657  -6.732  1.00  0.00           O
ATOM    272  CB  ILE A  17      43.020  14.234  -5.070  1.00  0.00           C
ATOM    273  CG1 ILE A  17      43.637  13.579  -6.323  1.00  0.00           C
ATOM    274  CG2 ILE A  17      43.269  13.327  -3.862  1.00  0.00           C
ATOM    275  CD1 ILE A  17      43.310  14.399  -7.584  1.00  0.00           C
ATOM      0  H   ILE A  17      41.491  14.961  -3.214  1.00  0.00           H   new
ATOM      0  HA  ILE A  17      41.346  15.157  -6.062  1.00  0.00           H   new
ATOM      0  HB  ILE A  17      43.485  15.207  -4.914  1.00  0.00           H   new
ATOM      0 HG12 ILE A  17      44.718  13.502  -6.204  1.00  0.00           H   new
ATOM      0 HG13 ILE A  17      43.255  12.564  -6.434  1.00  0.00           H   new
ATOM      0 HG21 ILE A  17      44.341  13.179  -3.733  1.00  0.00           H   new
ATOM      0 HG22 ILE A  17      42.857  13.792  -2.967  1.00  0.00           H   new
ATOM      0 HG23 ILE A  17      42.786  12.363  -4.025  1.00  0.00           H   new
ATOM      0 HD11 ILE A  17      43.755  13.919  -8.456  1.00  0.00           H   new
ATOM      0 HD12 ILE A  17      42.229  14.454  -7.712  1.00  0.00           H   new
ATOM      0 HD13 ILE A  17      43.714  15.406  -7.478  1.00  0.00           H   new
ATOM    287  N   GLY A  18      40.243  12.493  -4.568  1.00  0.00           N
ATOM    288  CA  GLY A  18      39.567  11.216  -4.731  1.00  0.00           C
ATOM    289  C   GLY A  18      38.118  11.399  -5.130  1.00  0.00           C
ATOM    290  O   GLY A  18      37.623  10.719  -6.025  1.00  0.00           O
ATOM      0  H   GLY A  18      40.216  12.863  -3.618  1.00  0.00           H   new
ATOM      0  HA2 GLY A  18      40.082  10.625  -5.489  1.00  0.00           H   new
ATOM      0  HA3 GLY A  18      39.620  10.654  -3.799  1.00  0.00           H   new
ATOM    294  N   GLY A  19      37.430  12.320  -4.456  1.00  0.00           N
ATOM    295  CA  GLY A  19      36.031  12.576  -4.758  1.00  0.00           C
ATOM    296  C   GLY A  19      35.852  13.376  -6.036  1.00  0.00           C
ATOM    297  O   GLY A  19      34.935  13.121  -6.816  1.00  0.00           O
ATOM      0  H   GLY A  19      37.817  12.893  -3.706  1.00  0.00           H   new
ATOM      0  HA2 GLY A  19      35.502  11.627  -4.849  1.00  0.00           H   new
ATOM      0  HA3 GLY A  19      35.576  13.116  -3.928  1.00  0.00           H   new
ATOM    301  N   ALA A  20      36.726  14.358  -6.246  1.00  0.00           N
ATOM    302  CA  ALA A  20      36.645  15.203  -7.436  1.00  0.00           C
ATOM    303  C   ALA A  20      36.644  14.366  -8.712  1.00  0.00           C
ATOM    304  O   ALA A  20      35.607  14.205  -9.356  1.00  0.00           O
ATOM    305  CB  ALA A  20      37.815  16.174  -7.463  1.00  0.00           C
ATOM      0  H   ALA A  20      37.493  14.587  -5.614  1.00  0.00           H   new
ATOM      0  HA  ALA A  20      35.708  15.758  -7.391  1.00  0.00           H   new
ATOM      0  HB1 ALA A  20      37.748  16.800  -8.353  1.00  0.00           H   new
ATOM      0  HB2 ALA A  20      37.786  16.803  -6.573  1.00  0.00           H   new
ATOM      0  HB3 ALA A  20      38.751  15.616  -7.482  1.00  0.00           H   new
ATOM    311  N   LEU A  21      37.813  13.853  -9.081  1.00  0.00           N
ATOM    312  CA  LEU A  21      37.938  13.048 -10.295  1.00  0.00           C
ATOM    313  C   LEU A  21      37.521  13.866 -11.513  1.00  0.00           C
ATOM    314  O   LEU A  21      37.303  13.320 -12.595  1.00  0.00           O
ATOM    315  CB  LEU A  21      37.068  11.789 -10.198  1.00  0.00           C
ATOM    316  CG  LEU A  21      37.278  11.106  -8.843  1.00  0.00           C
ATOM    317  CD1 LEU A  21      36.356   9.886  -8.747  1.00  0.00           C
ATOM    318  CD2 LEU A  21      38.744  10.659  -8.701  1.00  0.00           C
ATOM      0  H   LEU A  21      38.683  13.978  -8.563  1.00  0.00           H   new
ATOM      0  HA  LEU A  21      38.981  12.749 -10.402  1.00  0.00           H   new
ATOM      0  HB2 LEU A  21      36.018  12.053 -10.322  1.00  0.00           H   new
ATOM      0  HB3 LEU A  21      37.321  11.100 -11.004  1.00  0.00           H   new
ATOM      0  HG  LEU A  21      37.044  11.808  -8.043  1.00  0.00           H   new
ATOM      0 HD11 LEU A  21      36.501   9.395  -7.785  1.00  0.00           H   new
ATOM      0 HD12 LEU A  21      35.318  10.206  -8.839  1.00  0.00           H   new
ATOM      0 HD13 LEU A  21      36.592   9.187  -9.550  1.00  0.00           H   new
ATOM      0 HD21 LEU A  21      38.885  10.174  -7.735  1.00  0.00           H   new
ATOM      0 HD22 LEU A  21      38.989   9.957  -9.498  1.00  0.00           H   new
ATOM      0 HD23 LEU A  21      39.398  11.529  -8.769  1.00  0.00           H   new
ATOM    330  N   ASP A  22      37.412  15.178 -11.328  1.00  0.00           N
ATOM    331  CA  ASP A  22      37.019  16.067 -12.416  1.00  0.00           C
ATOM    332  C   ASP A  22      38.168  16.251 -13.402  1.00  0.00           C
ATOM    333  O   ASP A  22      38.231  15.578 -14.430  1.00  0.00           O
ATOM    334  CB  ASP A  22      36.606  17.428 -11.853  1.00  0.00           C
ATOM    335  CG  ASP A  22      35.320  17.276 -11.040  1.00  0.00           C
ATOM    336  OD1 ASP A  22      35.413  17.214  -9.825  1.00  0.00           O
ATOM    337  OD2 ASP A  22      34.262  17.224 -11.646  1.00  0.00           O
ATOM      0  H   ASP A  22      37.589  15.647 -10.440  1.00  0.00           H   new
ATOM      0  HA  ASP A  22      36.175  15.618 -12.940  1.00  0.00           H   new
ATOM      0  HB2 ASP A  22      37.401  17.829 -11.224  1.00  0.00           H   new
ATOM      0  HB3 ASP A  22      36.453  18.138 -12.666  1.00  0.00           H   new
ATOM    342  N   HIS A  23      39.076  17.170 -13.080  1.00  0.00           N
ATOM    343  CA  HIS A  23      40.225  17.444 -13.941  1.00  0.00           C
ATOM    344  C   HIS A  23      41.362  18.059 -13.133  1.00  0.00           C
ATOM    345  O   HIS A  23      41.845  19.146 -13.448  1.00  0.00           O
ATOM    346  CB  HIS A  23      39.822  18.401 -15.065  1.00  0.00           C
ATOM    347  CG  HIS A  23      38.706  17.793 -15.868  1.00  0.00           C
ATOM    348  ND1 HIS A  23      38.896  16.680 -16.672  1.00  0.00           N
ATOM    349  CD2 HIS A  23      37.383  18.133 -16.005  1.00  0.00           C
ATOM    350  CE1 HIS A  23      37.716  16.391 -17.251  1.00  0.00           C
ATOM    351  NE2 HIS A  23      36.760  17.247 -16.878  1.00  0.00           N
ATOM      0  H   HIS A  23      39.039  17.736 -12.232  1.00  0.00           H   new
ATOM      0  HA  HIS A  23      40.565  16.502 -14.372  1.00  0.00           H   new
ATOM      0  HB2 HIS A  23      39.504  19.356 -14.647  1.00  0.00           H   new
ATOM      0  HB3 HIS A  23      40.678  18.604 -15.708  1.00  0.00           H   new
ATOM      0  HD2 HIS A  23      36.899  18.962 -15.510  1.00  0.00           H   new
ATOM      0  HE1 HIS A  23      37.561  15.568 -17.933  1.00  0.00           H   new
ATOM      0  HE2 HIS A  23      35.783  17.250 -17.171  1.00  0.00           H   new
ATOM    359  N   LEU A  24      41.785  17.356 -12.087  1.00  0.00           N
ATOM    360  CA  LEU A  24      42.866  17.842 -11.237  1.00  0.00           C
ATOM    361  C   LEU A  24      43.380  16.713 -10.342  1.00  0.00           C
ATOM    362  O   LEU A  24      43.821  15.673 -10.830  1.00  0.00           O
ATOM    363  CB  LEU A  24      42.359  19.021 -10.380  1.00  0.00           C
ATOM    364  CG  LEU A  24      43.520  19.950  -9.989  1.00  0.00           C
ATOM    365  CD1 LEU A  24      42.990  21.059  -9.075  1.00  0.00           C
ATOM    366  CD2 LEU A  24      44.610  19.154  -9.254  1.00  0.00           C
ATOM      0  H   LEU A  24      41.399  16.454 -11.809  1.00  0.00           H   new
ATOM      0  HA  LEU A  24      43.689  18.187 -11.863  1.00  0.00           H   new
ATOM      0  HB2 LEU A  24      41.608  19.583 -10.935  1.00  0.00           H   new
ATOM      0  HB3 LEU A  24      41.873  18.641  -9.481  1.00  0.00           H   new
ATOM      0  HG  LEU A  24      43.950  20.387 -10.890  1.00  0.00           H   new
ATOM      0 HD11 LEU A  24      43.809  21.721  -8.794  1.00  0.00           H   new
ATOM      0 HD12 LEU A  24      42.226  21.630  -9.602  1.00  0.00           H   new
ATOM      0 HD13 LEU A  24      42.558  20.616  -8.178  1.00  0.00           H   new
ATOM      0 HD21 LEU A  24      45.427  19.822  -8.982  1.00  0.00           H   new
ATOM      0 HD22 LEU A  24      44.190  18.709  -8.352  1.00  0.00           H   new
ATOM      0 HD23 LEU A  24      44.987  18.366  -9.906  1.00  0.00           H   new