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=  -0.995  K(o=-0.99,f=-1.8)
USER  MOD -----------------------------------------------------------------
ATOM     39  N   ARG A   4      55.858   4.623   4.487  1.00  0.00           N
ATOM     40  CA  ARG A   4      54.946   5.397   5.056  1.00  0.00           C
ATOM     41  C   ARG A   4      53.727   4.615   5.475  1.00  0.00           C
ATOM     42  O   ARG A   4      52.837   5.102   6.168  1.00  0.00           O
ATOM     43  CB  ARG A   4      54.577   6.629   4.252  1.00  0.00           C
ATOM     44  CG  ARG A   4      55.846   7.375   3.831  1.00  0.00           C
ATOM     45  CD  ARG A   4      55.464   8.596   2.991  1.00  0.00           C
ATOM     46  NE  ARG A   4      56.679   9.418   2.729  1.00  0.00           N
ATOM     47  CZ  ARG A   4      56.630  10.400   1.871  1.00  0.00           C
ATOM     48  NH1 ARG A   4      57.618  11.247   1.791  1.00  0.00           N
ATOM     49  NH2 ARG A   4      55.592  10.533   1.091  1.00  0.00           N
ATOM      0  HA  ARG A   4      55.426   5.781   5.956  1.00  0.00           H   new
ATOM      0  HB2 ARG A   4      54.005   6.341   3.370  1.00  0.00           H   new
ATOM      0  HB3 ARG A   4      53.939   7.284   4.846  1.00  0.00           H   new
ATOM      0  HG2 ARG A   4      56.407   7.687   4.712  1.00  0.00           H   new
ATOM      0  HG3 ARG A   4      56.496   6.714   3.257  1.00  0.00           H   new
ATOM      0  HD2 ARG A   4      55.017   8.278   2.049  1.00  0.00           H   new
ATOM      0  HD3 ARG A   4      54.715   9.191   3.514  1.00  0.00           H   new
ATOM      0  HE  ARG A   4      57.549   9.213   3.220  1.00  0.00           H   new
ATOM      0 HH11 ARG A   4      58.430  11.142   2.399  1.00  0.00           H   new
ATOM      0 HH12 ARG A   4      57.579  12.014   1.120  1.00  0.00           H   new
ATOM      0 HH21 ARG A   4      54.820   9.870   1.152  1.00  0.00           H   new
ATOM      0 HH22 ARG A   4      55.553  11.300   0.420  1.00  0.00           H   new
ATOM     63  N   TRP A   5      53.719   3.386   5.010  1.00  0.00           N
ATOM     64  CA  TRP A   5      52.625   2.455   5.299  1.00  0.00           C
ATOM     65  C   TRP A   5      52.187   2.586   6.761  1.00  0.00           C
ATOM     66  O   TRP A   5      51.074   2.207   7.127  1.00  0.00           O
ATOM     67  CB  TRP A   5      53.078   1.020   5.026  1.00  0.00           C
ATOM     68  CG  TRP A   5      51.914   0.094   5.162  1.00  0.00           C
ATOM     69  CD1 TRP A   5      51.642  -0.657   6.257  1.00  0.00           C
ATOM     70  CD2 TRP A   5      50.864  -0.196   4.195  1.00  0.00           C
ATOM     71  NE1 TRP A   5      50.491  -1.390   6.026  1.00  0.00           N
ATOM     72  CE2 TRP A   5      49.971  -1.145   4.771  1.00  0.00           C
ATOM     73  CE3 TRP A   5      50.597   0.265   2.880  1.00  0.00           C
ATOM     74  CZ2 TRP A   5      48.850  -1.621   4.068  1.00  0.00           C
ATOM     75  CZ3 TRP A   5      49.469  -0.211   2.170  1.00  0.00           C
ATOM     76  CH2 TRP A   5      48.598  -1.152   2.763  1.00  0.00           C
ATOM      0  H   TRP A   5      54.458   2.996   4.425  1.00  0.00           H   new
ATOM      0  HA  TRP A   5      51.781   2.698   4.654  1.00  0.00           H   new
ATOM      0  HB2 TRP A   5      53.500   0.945   4.024  1.00  0.00           H   new
ATOM      0  HB3 TRP A   5      53.865   0.737   5.725  1.00  0.00           H   new
ATOM      0  HD1 TRP A   5      52.229  -0.680   7.163  1.00  0.00           H   new
ATOM      0  HE1 TRP A   5      50.077  -2.033   6.701  1.00  0.00           H   new
ATOM      0  HE3 TRP A   5      51.258   0.983   2.418  1.00  0.00           H   new
ATOM      0  HZ2 TRP A   5      48.187  -2.341   4.525  1.00  0.00           H   new
ATOM      0  HZ3 TRP A   5      49.273   0.147   1.170  1.00  0.00           H   new
ATOM      0  HH2 TRP A   5      47.739  -1.512   2.216  1.00  0.00           H   new
ATOM     87  N   LEU A   6      53.080   3.141   7.588  1.00  0.00           N
ATOM     88  CA  LEU A   6      52.811   3.350   9.013  1.00  0.00           C
ATOM     89  C   LEU A   6      52.619   4.842   9.301  1.00  0.00           C
ATOM     90  O   LEU A   6      51.938   5.211  10.258  1.00  0.00           O
ATOM     91  CB  LEU A   6      53.989   2.802   9.835  1.00  0.00           C
ATOM     92  CG  LEU A   6      53.817   3.111  11.335  1.00  0.00           C
ATOM     93  CD1 LEU A   6      52.471   2.565  11.848  1.00  0.00           C
ATOM     94  CD2 LEU A   6      54.966   2.451  12.106  1.00  0.00           C
ATOM      0  H   LEU A   6      54.003   3.456   7.290  1.00  0.00           H   new
ATOM      0  HA  LEU A   6      51.898   2.824   9.290  1.00  0.00           H   new
ATOM      0  HB2 LEU A   6      54.066   1.724   9.690  1.00  0.00           H   new
ATOM      0  HB3 LEU A   6      54.921   3.240   9.476  1.00  0.00           H   new
ATOM      0  HG  LEU A   6      53.831   4.190  11.485  1.00  0.00           H   new
ATOM      0 HD11 LEU A   6      52.367   2.792  12.909  1.00  0.00           H   new
ATOM      0 HD12 LEU A   6      51.655   3.031  11.295  1.00  0.00           H   new
ATOM      0 HD13 LEU A   6      52.437   1.485  11.703  1.00  0.00           H   new
ATOM      0 HD21 LEU A   6      54.858   2.661  13.170  1.00  0.00           H   new
ATOM      0 HD22 LEU A   6      54.941   1.373  11.944  1.00  0.00           H   new
ATOM      0 HD23 LEU A   6      55.917   2.849  11.752  1.00  0.00           H   new
ATOM    106  N   GLU A   7      53.220   5.706   8.468  1.00  0.00           N
ATOM    107  CA  GLU A   7      53.102   7.156   8.650  1.00  0.00           C
ATOM    108  C   GLU A   7      52.053   7.727   7.702  1.00  0.00           C
ATOM    109  O   GLU A   7      51.909   8.943   7.579  1.00  0.00           O
ATOM    110  CB  GLU A   7      54.451   7.825   8.374  1.00  0.00           C
ATOM    111  CG  GLU A   7      55.452   7.438   9.467  1.00  0.00           C
ATOM    112  CD  GLU A   7      55.763   5.943   9.372  1.00  0.00           C
ATOM    113  OE1 GLU A   7      55.972   5.334  10.408  1.00  0.00           O
ATOM    114  OE2 GLU A   7      55.787   5.433   8.264  1.00  0.00           O
ATOM      0  H   GLU A   7      53.788   5.426   7.668  1.00  0.00           H   new
ATOM      0  HA  GLU A   7      52.798   7.353   9.678  1.00  0.00           H   new
ATOM      0  HB2 GLU A   7      54.827   7.518   7.398  1.00  0.00           H   new
ATOM      0  HB3 GLU A   7      54.331   8.908   8.344  1.00  0.00           H   new
ATOM      0  HG2 GLU A   7      56.368   8.018   9.357  1.00  0.00           H   new
ATOM      0  HG3 GLU A   7      55.042   7.673  10.449  1.00  0.00           H   new
ATOM    121  N   ARG A   8      51.321   6.842   7.034  1.00  0.00           N
ATOM    122  CA  ARG A   8      50.288   7.271   6.098  1.00  0.00           C
ATOM    123  C   ARG A   8      49.342   8.263   6.766  1.00  0.00           C
ATOM    124  O   ARG A   8      48.675   7.937   7.747  1.00  0.00           O
ATOM    125  CB  ARG A   8      49.497   6.059   5.600  1.00  0.00           C
ATOM    126  CG  ARG A   8      48.535   6.495   4.492  1.00  0.00           C
ATOM    127  CD  ARG A   8      47.896   5.259   3.855  1.00  0.00           C
ATOM    128  NE  ARG A   8      47.027   4.578   4.856  1.00  0.00           N
ATOM    129  CZ  ARG A   8      46.154   3.688   4.466  1.00  0.00           C
ATOM    130  NH1 ARG A   8      46.194   2.478   4.953  1.00  0.00           N
ATOM    131  NH2 ARG A   8      45.243   4.010   3.590  1.00  0.00           N
ATOM      0  H   ARG A   8      51.422   5.831   7.122  1.00  0.00           H   new
ATOM      0  HA  ARG A   8      50.770   7.760   5.251  1.00  0.00           H   new
ATOM      0  HB2 ARG A   8      50.179   5.296   5.224  1.00  0.00           H   new
ATOM      0  HB3 ARG A   8      48.941   5.612   6.424  1.00  0.00           H   new
ATOM      0  HG2 ARG A   8      47.763   7.146   4.902  1.00  0.00           H   new
ATOM      0  HG3 ARG A   8      49.070   7.071   3.737  1.00  0.00           H   new
ATOM      0  HD2 ARG A   8      47.308   5.548   2.984  1.00  0.00           H   new
ATOM      0  HD3 ARG A   8      48.670   4.576   3.505  1.00  0.00           H   new
ATOM      0  HE  ARG A   8      47.114   4.807   5.846  1.00  0.00           H   new
ATOM      0 HH11 ARG A   8      46.907   2.227   5.638  1.00  0.00           H   new
ATOM      0 HH12 ARG A   8      45.512   1.783   4.649  1.00  0.00           H   new
ATOM      0 HH21 ARG A   8      45.213   4.956   3.210  1.00  0.00           H   new
ATOM      0 HH22 ARG A   8      44.561   3.316   3.285  1.00  0.00           H   new
ATOM    145  N   ILE A   9      49.293   9.478   6.227  1.00  0.00           N
ATOM    146  CA  ILE A   9      48.427  10.514   6.781  1.00  0.00           C
ATOM    147  C   ILE A   9      46.964  10.092   6.698  1.00  0.00           C
ATOM    148  O   ILE A   9      46.144  10.499   7.522  1.00  0.00           O
ATOM    149  CB  ILE A   9      48.602  11.843   6.020  1.00  0.00           C
ATOM    150  CG1 ILE A   9      48.302  11.623   4.529  1.00  0.00           C
ATOM    151  CG2 ILE A   9      50.042  12.347   6.190  1.00  0.00           C
ATOM    152  CD1 ILE A   9      48.593  12.903   3.735  1.00  0.00           C
ATOM      0  H   ILE A   9      49.837   9.768   5.415  1.00  0.00           H   new
ATOM      0  HA  ILE A   9      48.711  10.654   7.824  1.00  0.00           H   new
ATOM      0  HB  ILE A   9      47.912  12.585   6.421  1.00  0.00           H   new
ATOM      0 HG12 ILE A   9      48.909  10.803   4.146  1.00  0.00           H   new
ATOM      0 HG13 ILE A   9      47.259  11.335   4.399  1.00  0.00           H   new
ATOM      0 HG21 ILE A   9      50.165  13.287   5.651  1.00  0.00           H   new
ATOM      0 HG22 ILE A   9      50.249  12.505   7.248  1.00  0.00           H   new
ATOM      0 HG23 ILE A   9      50.736  11.607   5.791  1.00  0.00           H   new
ATOM      0 HD11 ILE A   9      48.376  12.734   2.680  1.00  0.00           H   new
ATOM      0 HD12 ILE A   9      47.967  13.713   4.109  1.00  0.00           H   new
ATOM      0 HD13 ILE A   9      49.643  13.173   3.851  1.00  0.00           H   new
ATOM    164  N   GLY A  10      46.641   9.279   5.697  1.00  0.00           N
ATOM    165  CA  GLY A  10      45.277   8.817   5.520  1.00  0.00           C
ATOM    166  C   GLY A  10      44.290   9.968   5.544  1.00  0.00           C
ATOM    167  O   GLY A  10      43.321   9.952   6.303  1.00  0.00           O
ATOM      0  H   GLY A  10      47.303   8.931   5.003  1.00  0.00           H   new
ATOM      0  HA2 GLY A  10      45.193   8.284   4.573  1.00  0.00           H   new
ATOM      0  HA3 GLY A  10      45.028   8.107   6.308  1.00  0.00           H   new
ATOM    171  N   LYS A  11      44.544  10.974   4.712  1.00  0.00           N
ATOM    172  CA  LYS A  11      43.670  12.142   4.646  1.00  0.00           C
ATOM    173  C   LYS A  11      43.902  12.910   3.347  1.00  0.00           C
ATOM    174  O   LYS A  11      44.611  13.915   3.328  1.00  0.00           O
ATOM    175  CB  LYS A  11      43.944  13.061   5.839  1.00  0.00           C
ATOM    176  CG  LYS A  11      42.884  14.162   5.893  1.00  0.00           C
ATOM    177  CD  LYS A  11      43.101  15.014   7.147  1.00  0.00           C
ATOM    178  CE  LYS A  11      41.970  16.036   7.272  1.00  0.00           C
ATOM    179  NZ  LYS A  11      42.196  16.880   8.480  1.00  0.00           N
ATOM      0  H   LYS A  11      45.342  11.005   4.078  1.00  0.00           H   new
ATOM      0  HA  LYS A  11      42.634  11.804   4.675  1.00  0.00           H   new
ATOM      0  HB2 LYS A  11      43.932  12.485   6.765  1.00  0.00           H   new
ATOM      0  HB3 LYS A  11      44.937  13.502   5.751  1.00  0.00           H   new
ATOM      0  HG2 LYS A  11      42.945  14.785   5.001  1.00  0.00           H   new
ATOM      0  HG3 LYS A  11      41.887  13.722   5.907  1.00  0.00           H   new
ATOM      0  HD2 LYS A  11      43.130  14.378   8.031  1.00  0.00           H   new
ATOM      0  HD3 LYS A  11      44.062  15.525   7.091  1.00  0.00           H   new
ATOM      0  HE2 LYS A  11      41.930  16.661   6.380  1.00  0.00           H   new
ATOM      0  HE3 LYS A  11      41.010  15.525   7.346  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  11      41.428  17.575   8.566  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  11      42.213  16.277   9.327  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  11      43.105  17.378   8.391  1.00  0.00           H   new
ATOM    193  N   ALA A  12      43.297  12.427   2.263  1.00  0.00           N
ATOM    194  CA  ALA A  12      43.438  13.071   0.960  1.00  0.00           C
ATOM    195  C   ALA A  12      42.440  14.216   0.824  1.00  0.00           C
ATOM    196  O   ALA A  12      41.684  14.282  -0.145  1.00  0.00           O
ATOM    197  CB  ALA A  12      43.203  12.050  -0.141  1.00  0.00           C
ATOM      0  H   ALA A  12      42.707  11.595   2.262  1.00  0.00           H   new
ATOM      0  HA  ALA A  12      44.447  13.474   0.872  1.00  0.00           H   new
ATOM      0  HB1 ALA A  12      43.309  12.532  -1.113  1.00  0.00           H   new
ATOM      0  HB2 ALA A  12      43.934  11.246  -0.054  1.00  0.00           H   new
ATOM      0  HB3 ALA A  12      42.198  11.639  -0.047  1.00  0.00           H   new
ATOM    203  N   GLY A  13      42.440  15.113   1.805  1.00  0.00           N
ATOM    204  CA  GLY A  13      41.529  16.241   1.787  1.00  0.00           C
ATOM    205  C   GLY A  13      40.103  15.810   1.510  1.00  0.00           C
ATOM    206  O   GLY A  13      39.430  16.376   0.651  1.00  0.00           O
ATOM      0  H   GLY A  13      43.058  15.077   2.616  1.00  0.00           H   new
ATOM      0  HA2 GLY A  13      41.572  16.758   2.745  1.00  0.00           H   new
ATOM      0  HA3 GLY A  13      41.848  16.953   1.026  1.00  0.00           H   new
ATOM    210  N   PHE A  14      39.643  14.800   2.240  1.00  0.00           N
ATOM    211  CA  PHE A  14      38.287  14.292   2.063  1.00  0.00           C
ATOM    212  C   PHE A  14      38.098  13.763   0.641  1.00  0.00           C
ATOM    213  O   PHE A  14      37.122  14.094  -0.032  1.00  0.00           O
ATOM    214  CB  PHE A  14      37.267  15.404   2.349  1.00  0.00           C
ATOM    215  CG  PHE A  14      35.893  14.801   2.567  1.00  0.00           C
ATOM    216  CD1 PHE A  14      34.895  14.922   1.573  1.00  0.00           C
ATOM    217  CD2 PHE A  14      35.610  14.116   3.768  1.00  0.00           C
ATOM    218  CE1 PHE A  14      33.617  14.359   1.783  1.00  0.00           C
ATOM    219  CE2 PHE A  14      34.332  13.553   3.978  1.00  0.00           C
ATOM    220  CZ  PHE A  14      33.336  13.674   2.984  1.00  0.00           C
ATOM      0  H   PHE A  14      40.186  14.319   2.957  1.00  0.00           H   new
ATOM      0  HA  PHE A  14      38.127  13.473   2.765  1.00  0.00           H   new
ATOM      0  HB2 PHE A  14      37.570  15.969   3.231  1.00  0.00           H   new
ATOM      0  HB3 PHE A  14      37.238  16.106   1.515  1.00  0.00           H   new
ATOM      0  HD1 PHE A  14      35.110  15.445   0.653  1.00  0.00           H   new
ATOM      0  HD2 PHE A  14      36.372  14.022   4.528  1.00  0.00           H   new
ATOM      0  HE1 PHE A  14      32.854  14.453   1.024  1.00  0.00           H   new
ATOM      0  HE2 PHE A  14      34.116  13.030   4.898  1.00  0.00           H   new
ATOM      0  HZ  PHE A  14      32.359  13.242   3.143  1.00  0.00           H   new
ATOM    230  N   ILE A  15      39.041  12.939   0.195  1.00  0.00           N
ATOM    231  CA  ILE A  15      38.980  12.364  -1.144  1.00  0.00           C
ATOM    232  C   ILE A  15      39.009  13.460  -2.204  1.00  0.00           C
ATOM    233  O   ILE A  15      38.009  13.715  -2.876  1.00  0.00           O
ATOM    234  CB  ILE A  15      37.702  11.520  -1.332  1.00  0.00           C
ATOM    235  CG1 ILE A  15      37.508  10.613  -0.107  1.00  0.00           C
ATOM    236  CG2 ILE A  15      37.827  10.658  -2.595  1.00  0.00           C
ATOM    237  CD1 ILE A  15      36.278   9.717  -0.306  1.00  0.00           C
ATOM      0  H   ILE A  15      39.855  12.655   0.740  1.00  0.00           H   new
ATOM      0  HA  ILE A  15      39.852  11.721  -1.259  1.00  0.00           H   new
ATOM      0  HB  ILE A  15      36.843  12.183  -1.437  1.00  0.00           H   new
ATOM      0 HG12 ILE A  15      38.395   9.998   0.045  1.00  0.00           H   new
ATOM      0 HG13 ILE A  15      37.384  11.221   0.790  1.00  0.00           H   new
ATOM      0 HG21 ILE A  15      36.921  10.065  -2.722  1.00  0.00           H   new
ATOM      0 HG22 ILE A  15      37.963  11.303  -3.463  1.00  0.00           H   new
ATOM      0 HG23 ILE A  15      38.686   9.993  -2.498  1.00  0.00           H   new
ATOM      0 HD11 ILE A  15      36.148   9.078   0.567  1.00  0.00           H   new
ATOM      0 HD12 ILE A  15      35.392  10.339  -0.435  1.00  0.00           H   new
ATOM      0 HD13 ILE A  15      36.419   9.097  -1.192  1.00  0.00           H   new
ATOM    249  N   ILE A  16      40.169  14.096  -2.356  1.00  0.00           N
ATOM    250  CA  ILE A  16      40.348  15.164  -3.348  1.00  0.00           C
ATOM    251  C   ILE A  16      41.667  14.951  -4.086  1.00  0.00           C
ATOM    252  O   ILE A  16      41.676  14.637  -5.275  1.00  0.00           O
ATOM    253  CB  ILE A  16      40.357  16.562  -2.668  1.00  0.00           C
ATOM    254  CG1 ILE A  16      38.955  16.892  -2.090  1.00  0.00           C
ATOM    255  CG2 ILE A  16      40.793  17.649  -3.667  1.00  0.00           C
ATOM    256  CD1 ILE A  16      37.992  17.431  -3.169  1.00  0.00           C
ATOM      0  H   ILE A  16      41.003  13.892  -1.805  1.00  0.00           H   new
ATOM      0  HA  ILE A  16      39.514  15.128  -4.049  1.00  0.00           H   new
ATOM      0  HB  ILE A  16      41.075  16.540  -1.849  1.00  0.00           H   new
ATOM      0 HG12 ILE A  16      38.529  15.995  -1.640  1.00  0.00           H   new
ATOM      0 HG13 ILE A  16      39.056  17.630  -1.294  1.00  0.00           H   new
ATOM      0 HG21 ILE A  16      40.793  18.620  -3.171  1.00  0.00           H   new
ATOM      0 HG22 ILE A  16      41.796  17.428  -4.031  1.00  0.00           H   new
ATOM      0 HG23 ILE A  16      40.099  17.670  -4.507  1.00  0.00           H   new
ATOM      0 HD11 ILE A  16      37.024  17.648  -2.717  1.00  0.00           H   new
ATOM      0 HD12 ILE A  16      38.403  18.343  -3.601  1.00  0.00           H   new
ATOM      0 HD13 ILE A  16      37.868  16.683  -3.952  1.00  0.00           H   new
ATOM    268  N   ILE A  17      42.777  15.115  -3.375  1.00  0.00           N
ATOM    269  CA  ILE A  17      44.085  14.923  -3.989  1.00  0.00           C
ATOM    270  C   ILE A  17      44.292  13.441  -4.287  1.00  0.00           C
ATOM    271  O   ILE A  17      45.053  13.072  -5.180  1.00  0.00           O
ATOM    272  CB  ILE A  17      45.215  15.424  -3.061  1.00  0.00           C
ATOM    273  CG1 ILE A  17      46.600  15.133  -3.675  1.00  0.00           C
ATOM    274  CG2 ILE A  17      45.112  14.719  -1.708  1.00  0.00           C
ATOM    275  CD1 ILE A  17      46.702  15.720  -5.093  1.00  0.00           C
ATOM      0  H   ILE A  17      42.799  15.376  -2.389  1.00  0.00           H   new
ATOM      0  HA  ILE A  17      44.119  15.500  -4.913  1.00  0.00           H   new
ATOM      0  HB  ILE A  17      45.105  16.501  -2.935  1.00  0.00           H   new
ATOM      0 HG12 ILE A  17      47.380  15.559  -3.043  1.00  0.00           H   new
ATOM      0 HG13 ILE A  17      46.769  14.057  -3.709  1.00  0.00           H   new
ATOM      0 HG21 ILE A  17      45.908  15.071  -1.053  1.00  0.00           H   new
ATOM      0 HG22 ILE A  17      44.145  14.940  -1.255  1.00  0.00           H   new
ATOM      0 HG23 ILE A  17      45.209  13.643  -1.850  1.00  0.00           H   new
ATOM      0 HD11 ILE A  17      47.687  15.503  -5.507  1.00  0.00           H   new
ATOM      0 HD12 ILE A  17      45.936  15.274  -5.727  1.00  0.00           H   new
ATOM      0 HD13 ILE A  17      46.556  16.799  -5.051  1.00  0.00           H   new
ATOM    287  N   GLY A  18      43.595  12.596  -3.529  1.00  0.00           N
ATOM    288  CA  GLY A  18      43.688  11.157  -3.709  1.00  0.00           C
ATOM    289  C   GLY A  18      42.780  10.677  -4.823  1.00  0.00           C
ATOM    290  O   GLY A  18      43.240  10.080  -5.796  1.00  0.00           O
ATOM      0  H   GLY A  18      42.961  12.888  -2.785  1.00  0.00           H   new
ATOM      0  HA2 GLY A  18      44.719  10.883  -3.935  1.00  0.00           H   new
ATOM      0  HA3 GLY A  18      43.421  10.655  -2.779  1.00  0.00           H   new
ATOM    294  N   GLY A  19      41.483  10.939  -4.680  1.00  0.00           N
ATOM    295  CA  GLY A  19      40.523  10.527  -5.687  1.00  0.00           C
ATOM    296  C   GLY A  19      40.661  11.333  -6.965  1.00  0.00           C
ATOM    297  O   GLY A  19      40.421  10.825  -8.059  1.00  0.00           O
ATOM      0  H   GLY A  19      41.080  11.431  -3.882  1.00  0.00           H   new
ATOM      0  HA2 GLY A  19      40.661   9.469  -5.909  1.00  0.00           H   new
ATOM      0  HA3 GLY A  19      39.513  10.641  -5.293  1.00  0.00           H   new
ATOM    301  N   ALA A  20      41.050  12.598  -6.824  1.00  0.00           N
ATOM    302  CA  ALA A  20      41.219  13.469  -7.981  1.00  0.00           C
ATOM    303  C   ALA A  20      39.979  13.429  -8.872  1.00  0.00           C
ATOM    304  O   ALA A  20      40.080  13.511 -10.095  1.00  0.00           O
ATOM    305  CB  ALA A  20      42.440  13.036  -8.778  1.00  0.00           C
ATOM      0  H   ALA A  20      41.252  13.039  -5.927  1.00  0.00           H   new
ATOM      0  HA  ALA A  20      41.360  14.491  -7.628  1.00  0.00           H   new
ATOM      0  HB1 ALA A  20      42.562  13.690  -9.641  1.00  0.00           H   new
ATOM      0  HB2 ALA A  20      43.327  13.099  -8.148  1.00  0.00           H   new
ATOM      0  HB3 ALA A  20      42.308  12.009  -9.117  1.00  0.00           H   new
ATOM    311  N   LEU A  21      38.812  13.300  -8.249  1.00  0.00           N
ATOM    312  CA  LEU A  21      37.562  13.249  -8.999  1.00  0.00           C
ATOM    313  C   LEU A  21      37.290  14.580  -9.699  1.00  0.00           C
ATOM    314  O   LEU A  21      36.265  14.746 -10.359  1.00  0.00           O
ATOM    315  CB  LEU A  21      36.393  12.873  -8.063  1.00  0.00           C
ATOM    316  CG  LEU A  21      35.934  14.070  -7.210  1.00  0.00           C
ATOM    317  CD1 LEU A  21      34.902  13.590  -6.188  1.00  0.00           C
ATOM    318  CD2 LEU A  21      37.129  14.681  -6.467  1.00  0.00           C
ATOM      0  H   LEU A  21      38.706  13.229  -7.237  1.00  0.00           H   new
ATOM      0  HA  LEU A  21      37.653  12.481  -9.767  1.00  0.00           H   new
ATOM      0  HB2 LEU A  21      35.555  12.508  -8.657  1.00  0.00           H   new
ATOM      0  HB3 LEU A  21      36.700  12.057  -7.409  1.00  0.00           H   new
ATOM      0  HG  LEU A  21      35.495  14.825  -7.862  1.00  0.00           H   new
ATOM      0 HD11 LEU A  21      34.573  14.433  -5.580  1.00  0.00           H   new
ATOM      0 HD12 LEU A  21      34.046  13.162  -6.709  1.00  0.00           H   new
ATOM      0 HD13 LEU A  21      35.351  12.833  -5.545  1.00  0.00           H   new
ATOM      0 HD21 LEU A  21      36.791  15.526  -5.868  1.00  0.00           H   new
ATOM      0 HD22 LEU A  21      37.575  13.930  -5.816  1.00  0.00           H   new
ATOM      0 HD23 LEU A  21      37.871  15.022  -7.189  1.00  0.00           H   new
ATOM    330  N   ASP A  22      38.214  15.523  -9.549  1.00  0.00           N
ATOM    331  CA  ASP A  22      38.062  16.834 -10.174  1.00  0.00           C
ATOM    332  C   ASP A  22      37.936  16.690 -11.687  1.00  0.00           C
ATOM    333  O   ASP A  22      37.281  17.496 -12.346  1.00  0.00           O
ATOM    334  CB  ASP A  22      39.268  17.715  -9.842  1.00  0.00           C
ATOM    335  CG  ASP A  22      39.066  19.105 -10.450  1.00  0.00           C
ATOM    336  OD1 ASP A  22      38.975  19.191 -11.663  1.00  0.00           O
ATOM    337  OD2 ASP A  22      39.009  20.058  -9.691  1.00  0.00           O
ATOM      0  H   ASP A  22      39.069  15.407  -9.005  1.00  0.00           H   new
ATOM      0  HA  ASP A  22      37.156  17.300  -9.786  1.00  0.00           H   new
ATOM      0  HB2 ASP A  22      39.389  17.793  -8.762  1.00  0.00           H   new
ATOM      0  HB3 ASP A  22      40.180  17.264 -10.233  1.00  0.00           H   new
ATOM    342  N   HIS A  23      38.567  15.653 -12.226  1.00  0.00           N
ATOM    343  CA  HIS A  23      38.525  15.400 -13.661  1.00  0.00           C
ATOM    344  C   HIS A  23      39.149  14.045 -13.974  1.00  0.00           C
ATOM    345  O   HIS A  23      39.610  13.804 -15.090  1.00  0.00           O
ATOM    346  CB  HIS A  23      39.280  16.502 -14.408  1.00  0.00           C
ATOM    347  CG  HIS A  23      39.099  16.317 -15.891  1.00  0.00           C
ATOM    348  ND1 HIS A  23      37.983  15.695 -16.427  1.00  0.00           N
ATOM    349  CD2 HIS A  23      39.883  16.669 -16.961  1.00  0.00           C
ATOM    350  CE1 HIS A  23      38.125  15.691 -17.766  1.00  0.00           C
ATOM    351  NE2 HIS A  23      39.267  16.274 -18.144  1.00  0.00           N
ATOM      0  H   HIS A  23      39.112  14.976 -11.693  1.00  0.00           H   new
ATOM      0  HA  HIS A  23      37.485  15.395 -13.986  1.00  0.00           H   new
ATOM      0  HB2 HIS A  23      38.909  17.481 -14.105  1.00  0.00           H   new
ATOM      0  HB3 HIS A  23      40.339  16.469 -14.153  1.00  0.00           H   new
ATOM      0  HD2 HIS A  23      40.834  17.176 -16.895  1.00  0.00           H   new
ATOM      0  HE1 HIS A  23      37.405  15.269 -18.451  1.00  0.00           H   new
ATOM      0  HE2 HIS A  23      39.612  16.402 -19.095  1.00  0.00           H   new
ATOM    359  N   LEU A  24      39.163  13.167 -12.976  1.00  0.00           N
ATOM    360  CA  LEU A  24      39.736  11.836 -13.145  1.00  0.00           C
ATOM    361  C   LEU A  24      39.301  10.928 -11.996  1.00  0.00           C
ATOM    362  O   LEU A  24      38.425  10.079 -12.160  1.00  0.00           O
ATOM    363  CB  LEU A  24      41.270  11.941 -13.195  1.00  0.00           C
ATOM    364  CG  LEU A  24      41.926  10.549 -13.128  1.00  0.00           C
ATOM    365  CD1 LEU A  24      41.287   9.606 -14.158  1.00  0.00           C
ATOM    366  CD2 LEU A  24      43.424  10.691 -13.423  1.00  0.00           C
ATOM      0  H   LEU A  24      38.786  13.352 -12.046  1.00  0.00           H   new
ATOM      0  HA  LEU A  24      39.378  11.404 -14.080  1.00  0.00           H   new
ATOM      0  HB2 LEU A  24      41.573  12.445 -14.113  1.00  0.00           H   new
ATOM      0  HB3 LEU A  24      41.623  12.552 -12.364  1.00  0.00           H   new
ATOM      0  HG  LEU A  24      41.778  10.129 -12.133  1.00  0.00           H   new
ATOM      0 HD11 LEU A  24      41.761   8.627 -14.098  1.00  0.00           H   new
ATOM      0 HD12 LEU A  24      40.222   9.507 -13.949  1.00  0.00           H   new
ATOM      0 HD13 LEU A  24      41.423  10.015 -15.159  1.00  0.00           H   new
ATOM      0 HD21 LEU A  24      43.898   9.711 -13.378  1.00  0.00           H   new
ATOM      0 HD22 LEU A  24      43.560  11.115 -14.418  1.00  0.00           H   new
ATOM      0 HD23 LEU A  24      43.880  11.349 -12.683  1.00  0.00           H   new