USER  MOD reduce.3.24.130724 H: found=0, std=0, add=132, rem=0, adj=1
USER  MOD reduce.3.24.130724 removed 130 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   1 GLY N   :NH3+   -166:sc= -0.0576   (180deg=-0.357)
USER  MOD Single : A  12 ASN     :      amide:sc=       0  X(o=0,f=0)
USER  MOD Single : A  17 MET CE  :methyl  180:sc=       0   (180deg=0)
USER  MOD -----------------------------------------------------------------
ATOM      1  N   GLY A   1     -14.548  -3.805   1.598  1.00  0.00           N
ATOM      2  CA  GLY A   1     -14.233  -2.403   1.384  1.00  0.00           C
ATOM      3  C   GLY A   1     -12.810  -2.083   1.847  1.00  0.00           C
ATOM      4  O   GLY A   1     -12.178  -1.163   1.333  1.00  0.00           O
ATOM      0  H1  GLY A   1     -15.410  -4.052   1.070  1.00  0.00           H   new
ATOM      0  H2  GLY A   1     -13.758  -4.393   1.265  1.00  0.00           H   new
ATOM      0  H3  GLY A   1     -14.703  -3.975   2.612  1.00  0.00           H   new
ATOM      0  HA2 GLY A   1     -14.338  -2.160   0.327  1.00  0.00           H   new
ATOM      0  HA3 GLY A   1     -14.944  -1.780   1.926  1.00  0.00           H   new
ATOM      8  N   LEU A   2     -12.348  -2.862   2.815  1.00  0.00           N
ATOM      9  CA  LEU A   2     -11.012  -2.674   3.354  1.00  0.00           C
ATOM     10  C   LEU A   2      -9.985  -3.215   2.358  1.00  0.00           C
ATOM     11  O   LEU A   2      -9.025  -2.526   2.013  1.00  0.00           O
ATOM     12  CB  LEU A   2     -10.904  -3.294   4.748  1.00  0.00           C
ATOM     13  CG  LEU A   2      -9.946  -2.601   5.718  1.00  0.00           C
ATOM     14  CD1 LEU A   2     -10.406  -1.174   6.018  1.00  0.00           C
ATOM     15  CD2 LEU A   2      -9.765  -3.426   6.995  1.00  0.00           C
ATOM      0  H   LEU A   2     -12.876  -3.625   3.240  1.00  0.00           H   new
ATOM      0  HA  LEU A   2     -10.800  -1.613   3.486  1.00  0.00           H   new
ATOM      0  HB2 LEU A   2     -11.897  -3.306   5.196  1.00  0.00           H   new
ATOM      0  HB3 LEU A   2     -10.591  -4.332   4.639  1.00  0.00           H   new
ATOM      0  HG  LEU A   2      -8.969  -2.530   5.240  1.00  0.00           H   new
ATOM      0 HD11 LEU A   2      -9.707  -0.704   6.710  1.00  0.00           H   new
ATOM      0 HD12 LEU A   2     -10.440  -0.600   5.092  1.00  0.00           H   new
ATOM      0 HD13 LEU A   2     -11.399  -1.199   6.466  1.00  0.00           H   new
ATOM      0 HD21 LEU A   2      -9.079  -2.910   7.667  1.00  0.00           H   new
ATOM      0 HD22 LEU A   2     -10.730  -3.551   7.487  1.00  0.00           H   new
ATOM      0 HD23 LEU A   2      -9.357  -4.405   6.741  1.00  0.00           H   new
ATOM     27  N   PHE A   3     -10.220  -4.445   1.923  1.00  0.00           N
ATOM     28  CA  PHE A   3      -9.327  -5.087   0.974  1.00  0.00           C
ATOM     29  C   PHE A   3      -9.163  -4.236  -0.287  1.00  0.00           C
ATOM     30  O   PHE A   3      -8.174  -4.368  -1.006  1.00  0.00           O
ATOM     31  CB  PHE A   3      -9.965  -6.424   0.593  1.00  0.00           C
ATOM     32  CG  PHE A   3      -8.958  -7.559   0.394  1.00  0.00           C
ATOM     33  CD1 PHE A   3      -8.088  -7.520  -0.650  1.00  0.00           C
ATOM     34  CD2 PHE A   3      -8.935  -8.608   1.259  1.00  0.00           C
ATOM     35  CE1 PHE A   3      -7.153  -8.573  -0.835  1.00  0.00           C
ATOM     36  CE2 PHE A   3      -8.002  -9.661   1.075  1.00  0.00           C
ATOM     37  CZ  PHE A   3      -7.130  -9.622   0.030  1.00  0.00           C
ATOM      0  H   PHE A   3     -11.016  -5.014   2.211  1.00  0.00           H   new
ATOM      0  HA  PHE A   3      -8.342  -5.219   1.421  1.00  0.00           H   new
ATOM      0  HB2 PHE A   3     -10.673  -6.712   1.370  1.00  0.00           H   new
ATOM      0  HB3 PHE A   3     -10.536  -6.294  -0.326  1.00  0.00           H   new
ATOM      0  HD1 PHE A   3      -8.108  -6.688  -1.339  1.00  0.00           H   new
ATOM      0  HD2 PHE A   3      -9.628  -8.640   2.087  1.00  0.00           H   new
ATOM      0  HE1 PHE A   3      -6.460  -8.541  -1.663  1.00  0.00           H   new
ATOM      0  HE2 PHE A   3      -7.983 -10.493   1.763  1.00  0.00           H   new
ATOM      0  HZ  PHE A   3      -6.420 -10.424  -0.112  1.00  0.00           H   new
ATOM     47  N   GLY A   4     -10.149  -3.381  -0.516  1.00  0.00           N
ATOM     48  CA  GLY A   4     -10.127  -2.508  -1.679  1.00  0.00           C
ATOM     49  C   GLY A   4      -9.404  -1.196  -1.366  1.00  0.00           C
ATOM     50  O   GLY A   4      -8.941  -0.507  -2.273  1.00  0.00           O
ATOM      0  H   GLY A   4     -10.968  -3.274   0.083  1.00  0.00           H   new
ATOM      0  HA2 GLY A   4      -9.630  -3.013  -2.508  1.00  0.00           H   new
ATOM      0  HA3 GLY A   4     -11.147  -2.298  -2.000  1.00  0.00           H   new
ATOM     54  N   ALA A   5      -9.329  -0.892  -0.079  1.00  0.00           N
ATOM     55  CA  ALA A   5      -8.670   0.325   0.365  1.00  0.00           C
ATOM     56  C   ALA A   5      -7.161   0.084   0.441  1.00  0.00           C
ATOM     57  O   ALA A   5      -6.372   1.017   0.300  1.00  0.00           O
ATOM     58  CB  ALA A   5      -9.259   0.764   1.708  1.00  0.00           C
ATOM      0  H   ALA A   5      -9.713  -1.467   0.671  1.00  0.00           H   new
ATOM      0  HA  ALA A   5      -8.839   1.134  -0.345  1.00  0.00           H   new
ATOM      0  HB1 ALA A   5      -8.765   1.677   2.041  1.00  0.00           H   new
ATOM      0  HB2 ALA A   5     -10.327   0.951   1.593  1.00  0.00           H   new
ATOM      0  HB3 ALA A   5      -9.105  -0.022   2.447  1.00  0.00           H   new
ATOM     64  N   ILE A   6      -6.805  -1.172   0.664  1.00  0.00           N
ATOM     65  CA  ILE A   6      -5.405  -1.547   0.760  1.00  0.00           C
ATOM     66  C   ILE A   6      -4.622  -0.877  -0.372  1.00  0.00           C
ATOM     67  O   ILE A   6      -3.536  -0.346  -0.150  1.00  0.00           O
ATOM     68  CB  ILE A   6      -5.259  -3.071   0.790  1.00  0.00           C
ATOM     69  CG1 ILE A   6      -6.090  -3.679   1.922  1.00  0.00           C
ATOM     70  CG2 ILE A   6      -3.787  -3.479   0.875  1.00  0.00           C
ATOM     71  CD1 ILE A   6      -5.698  -5.138   2.166  1.00  0.00           C
ATOM      0  H   ILE A   6      -7.462  -1.943   0.781  1.00  0.00           H   new
ATOM      0  HA  ILE A   6      -4.979  -1.190   1.698  1.00  0.00           H   new
ATOM      0  HB  ILE A   6      -5.650  -3.471  -0.146  1.00  0.00           H   new
ATOM      0 HG12 ILE A   6      -5.945  -3.102   2.835  1.00  0.00           H   new
ATOM      0 HG13 ILE A   6      -7.149  -3.620   1.673  1.00  0.00           H   new
ATOM      0 HG21 ILE A   6      -3.711  -4.566   0.895  1.00  0.00           H   new
ATOM      0 HG22 ILE A   6      -3.252  -3.094   0.007  1.00  0.00           H   new
ATOM      0 HG23 ILE A   6      -3.347  -3.068   1.784  1.00  0.00           H   new
ATOM      0 HD11 ILE A   6      -6.303  -5.547   2.975  1.00  0.00           H   new
ATOM      0 HD12 ILE A   6      -5.867  -5.717   1.258  1.00  0.00           H   new
ATOM      0 HD13 ILE A   6      -4.644  -5.191   2.439  1.00  0.00           H   new
ATOM     83  N   ALA A   7      -5.207  -0.924  -1.560  1.00  0.00           N
ATOM     84  CA  ALA A   7      -4.578  -0.328  -2.727  1.00  0.00           C
ATOM     85  C   ALA A   7      -4.081   1.075  -2.372  1.00  0.00           C
ATOM     86  O   ALA A   7      -2.975   1.460  -2.748  1.00  0.00           O
ATOM     87  CB  ALA A   7      -5.569  -0.317  -3.892  1.00  0.00           C
ATOM      0  H   ALA A   7      -6.109  -1.365  -1.740  1.00  0.00           H   new
ATOM      0  HA  ALA A   7      -3.714  -0.915  -3.039  1.00  0.00           H   new
ATOM      0  HB1 ALA A   7      -5.097   0.130  -4.767  1.00  0.00           H   new
ATOM      0  HB2 ALA A   7      -5.869  -1.339  -4.124  1.00  0.00           H   new
ATOM      0  HB3 ALA A   7      -6.448   0.266  -3.616  1.00  0.00           H   new
ATOM     93  N   GLY A   8      -4.923   1.802  -1.651  1.00  0.00           N
ATOM     94  CA  GLY A   8      -4.584   3.154  -1.241  1.00  0.00           C
ATOM     95  C   GLY A   8      -3.407   3.150  -0.263  1.00  0.00           C
ATOM     96  O   GLY A   8      -2.630   4.104  -0.219  1.00  0.00           O
ATOM      0  H   GLY A   8      -5.840   1.480  -1.340  1.00  0.00           H   new
ATOM      0  HA2 GLY A   8      -4.332   3.751  -2.117  1.00  0.00           H   new
ATOM      0  HA3 GLY A   8      -5.449   3.624  -0.773  1.00  0.00           H   new
ATOM    100  N   PHE A   9      -3.314   2.070   0.497  1.00  0.00           N
ATOM    101  CA  PHE A   9      -2.245   1.930   1.471  1.00  0.00           C
ATOM    102  C   PHE A   9      -0.933   1.533   0.794  1.00  0.00           C
ATOM    103  O   PHE A   9       0.147   1.796   1.321  1.00  0.00           O
ATOM    104  CB  PHE A   9      -2.663   0.820   2.438  1.00  0.00           C
ATOM    105  CG  PHE A   9      -2.333   1.111   3.902  1.00  0.00           C
ATOM    106  CD1 PHE A   9      -3.232   1.768   4.684  1.00  0.00           C
ATOM    107  CD2 PHE A   9      -1.141   0.715   4.423  1.00  0.00           C
ATOM    108  CE1 PHE A   9      -2.925   2.040   6.044  1.00  0.00           C
ATOM    109  CE2 PHE A   9      -0.834   0.987   5.783  1.00  0.00           C
ATOM    110  CZ  PHE A   9      -1.733   1.644   6.564  1.00  0.00           C
ATOM      0  H   PHE A   9      -3.962   1.283   0.458  1.00  0.00           H   new
ATOM      0  HA  PHE A   9      -2.084   2.878   1.984  1.00  0.00           H   new
ATOM      0  HB2 PHE A   9      -3.737   0.656   2.344  1.00  0.00           H   new
ATOM      0  HB3 PHE A   9      -2.172  -0.108   2.143  1.00  0.00           H   new
ATOM      0  HD1 PHE A   9      -4.179   2.083   4.271  1.00  0.00           H   new
ATOM      0  HD2 PHE A   9      -0.427   0.193   3.802  1.00  0.00           H   new
ATOM      0  HE1 PHE A   9      -3.639   2.561   6.665  1.00  0.00           H   new
ATOM      0  HE2 PHE A   9       0.113   0.672   6.197  1.00  0.00           H   new
ATOM      0  HZ  PHE A   9      -1.500   1.851   7.598  1.00  0.00           H   new
ATOM    120  N   ILE A  10      -1.068   0.907  -0.365  1.00  0.00           N
ATOM    121  CA  ILE A  10       0.094   0.471  -1.121  1.00  0.00           C
ATOM    122  C   ILE A  10       0.990   1.676  -1.411  1.00  0.00           C
ATOM    123  O   ILE A  10       2.202   1.531  -1.564  1.00  0.00           O
ATOM    124  CB  ILE A  10      -0.338  -0.292  -2.376  1.00  0.00           C
ATOM    125  CG1 ILE A  10      -1.218  -1.490  -2.014  1.00  0.00           C
ATOM    126  CG2 ILE A  10       0.875  -0.703  -3.212  1.00  0.00           C
ATOM    127  CD1 ILE A  10      -1.351  -2.450  -3.198  1.00  0.00           C
ATOM      0  H   ILE A  10      -1.965   0.691  -0.800  1.00  0.00           H   new
ATOM      0  HA  ILE A  10       0.686  -0.233  -0.537  1.00  0.00           H   new
ATOM      0  HB  ILE A  10      -0.941   0.376  -2.991  1.00  0.00           H   new
ATOM      0 HG12 ILE A  10      -0.789  -2.016  -1.161  1.00  0.00           H   new
ATOM      0 HG13 ILE A  10      -2.205  -1.142  -1.711  1.00  0.00           H   new
ATOM      0 HG21 ILE A  10       0.540  -1.243  -4.098  1.00  0.00           H   new
ATOM      0 HG22 ILE A  10       1.426   0.187  -3.516  1.00  0.00           H   new
ATOM      0 HG23 ILE A  10       1.525  -1.346  -2.619  1.00  0.00           H   new
ATOM      0 HD11 ILE A  10      -1.981  -3.293  -2.914  1.00  0.00           H   new
ATOM      0 HD12 ILE A  10      -1.802  -1.927  -4.041  1.00  0.00           H   new
ATOM      0 HD13 ILE A  10      -0.364  -2.815  -3.483  1.00  0.00           H   new
ATOM    139  N   GLU A  11       0.359   2.839  -1.481  1.00  0.00           N
ATOM    140  CA  GLU A  11       1.083   4.069  -1.751  1.00  0.00           C
ATOM    141  C   GLU A  11       2.117   4.327  -0.653  1.00  0.00           C
ATOM    142  O   GLU A  11       3.075   5.070  -0.860  1.00  0.00           O
ATOM    143  CB  GLU A  11       0.123   5.252  -1.889  1.00  0.00           C
ATOM    144  CG  GLU A  11      -0.416   5.357  -3.317  1.00  0.00           C
ATOM    145  CD  GLU A  11      -0.028   6.692  -3.953  1.00  0.00           C
ATOM    146  OE1 GLU A  11      -0.329   7.730  -3.323  1.00  0.00           O
ATOM    147  OE2 GLU A  11       0.561   6.647  -5.054  1.00  0.00           O
ATOM      0  H   GLU A  11      -0.647   2.955  -1.355  1.00  0.00           H   new
ATOM      0  HA  GLU A  11       1.608   3.958  -2.700  1.00  0.00           H   new
ATOM      0  HB2 GLU A  11      -0.706   5.135  -1.191  1.00  0.00           H   new
ATOM      0  HB3 GLU A  11       0.637   6.175  -1.622  1.00  0.00           H   new
ATOM      0  HG2 GLU A  11      -0.025   4.536  -3.918  1.00  0.00           H   new
ATOM      0  HG3 GLU A  11      -1.501   5.256  -3.308  1.00  0.00           H   new
ATOM    154  N   ASN A  12       1.888   3.700   0.491  1.00  0.00           N
ATOM    155  CA  ASN A  12       2.788   3.853   1.622  1.00  0.00           C
ATOM    156  C   ASN A  12       3.489   2.521   1.893  1.00  0.00           C
ATOM    157  O   ASN A  12       4.655   2.498   2.286  1.00  0.00           O
ATOM    158  CB  ASN A  12       2.021   4.250   2.885  1.00  0.00           C
ATOM    159  CG  ASN A  12       1.945   5.772   3.025  1.00  0.00           C
ATOM    160  OD1 ASN A  12       2.573   6.375   3.879  1.00  0.00           O
ATOM    161  ND2 ASN A  12       1.142   6.356   2.140  1.00  0.00           N
ATOM      0  H   ASN A  12       1.092   3.085   0.660  1.00  0.00           H   new
ATOM      0  HA  ASN A  12       3.509   4.633   1.378  1.00  0.00           H   new
ATOM      0  HB2 ASN A  12       1.014   3.834   2.849  1.00  0.00           H   new
ATOM      0  HB3 ASN A  12       2.511   3.825   3.761  1.00  0.00           H   new
ATOM      0 HD21 ASN A  12       1.023   7.369   2.150  1.00  0.00           H   new
ATOM      0 HD22 ASN A  12       0.645   5.791   1.451  1.00  0.00           H   new
ATOM    168  N   ALA A  13       2.750   1.443   1.673  1.00  0.00           N
ATOM    169  CA  ALA A  13       3.287   0.110   1.890  1.00  0.00           C
ATOM    170  C   ALA A  13       4.228  -0.249   0.738  1.00  0.00           C
ATOM    171  O   ALA A  13       4.998  -1.203   0.835  1.00  0.00           O
ATOM    172  CB  ALA A  13       2.135  -0.887   2.035  1.00  0.00           C
ATOM      0  H   ALA A  13       1.784   1.466   1.347  1.00  0.00           H   new
ATOM      0  HA  ALA A  13       3.867   0.074   2.812  1.00  0.00           H   new
ATOM      0  HB1 ALA A  13       2.537  -1.887   2.198  1.00  0.00           H   new
ATOM      0  HB2 ALA A  13       1.513  -0.603   2.884  1.00  0.00           H   new
ATOM      0  HB3 ALA A  13       1.533  -0.882   1.126  1.00  0.00           H   new
ATOM    178  N   TRP A  14       4.134   0.535  -0.326  1.00  0.00           N
ATOM    179  CA  TRP A  14       4.967   0.311  -1.495  1.00  0.00           C
ATOM    180  C   TRP A  14       6.107   1.331  -1.466  1.00  0.00           C
ATOM    181  O   TRP A  14       7.240   0.991  -1.129  1.00  0.00           O
ATOM    182  CB  TRP A  14       4.139   0.379  -2.780  1.00  0.00           C
ATOM    183  CG  TRP A  14       4.868  -0.143  -4.019  1.00  0.00           C
ATOM    184  CD1 TRP A  14       5.933  -0.957  -4.069  1.00  0.00           C
ATOM    185  CD2 TRP A  14       4.541   0.146  -5.395  1.00  0.00           C
ATOM    186  NE1 TRP A  14       6.315  -1.211  -5.370  1.00  0.00           N
ATOM    187  CE2 TRP A  14       5.441  -0.520  -6.202  1.00  0.00           C
ATOM    188  CE3 TRP A  14       3.519   0.943  -5.939  1.00  0.00           C
ATOM    189  CZ2 TRP A  14       5.410  -0.455  -7.601  1.00  0.00           C
ATOM    190  CZ3 TRP A  14       3.501   0.997  -7.338  1.00  0.00           C
ATOM    191  CH2 TRP A  14       4.400   0.333  -8.165  1.00  0.00           C
ATOM      0  H   TRP A  14       3.494   1.326  -0.403  1.00  0.00           H   new
ATOM      0  HA  TRP A  14       5.395  -0.691  -1.476  1.00  0.00           H   new
ATOM      0  HB2 TRP A  14       3.223  -0.196  -2.641  1.00  0.00           H   new
ATOM      0  HB3 TRP A  14       3.842   1.413  -2.955  1.00  0.00           H   new
ATOM      0  HD1 TRP A  14       6.429  -1.363  -3.200  1.00  0.00           H   new
ATOM      0  HE1 TRP A  14       7.095  -1.798  -5.667  1.00  0.00           H   new
ATOM      0  HE3 TRP A  14       2.804   1.472  -5.326  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  14       6.127  -0.984  -8.211  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  14       2.735   1.596  -7.808  1.00  0.00           H   new
ATOM      0  HH2 TRP A  14       4.319   0.425  -9.238  1.00  0.00           H   new
ATOM    202  N   GLU A  15       5.768   2.560  -1.822  1.00  0.00           N
ATOM    203  CA  GLU A  15       6.749   3.633  -1.841  1.00  0.00           C
ATOM    204  C   GLU A  15       7.711   3.493  -0.658  1.00  0.00           C
ATOM    205  O   GLU A  15       8.890   3.824  -0.770  1.00  0.00           O
ATOM    206  CB  GLU A  15       6.066   5.001  -1.834  1.00  0.00           C
ATOM    207  CG  GLU A  15       5.694   5.421  -0.410  1.00  0.00           C
ATOM    208  CD  GLU A  15       4.988   6.778  -0.406  1.00  0.00           C
ATOM    209  OE1 GLU A  15       5.161   7.512  -1.402  1.00  0.00           O
ATOM    210  OE2 GLU A  15       4.289   7.051   0.594  1.00  0.00           O
ATOM      0  H   GLU A  15       4.827   2.838  -2.100  1.00  0.00           H   new
ATOM      0  HA  GLU A  15       7.325   3.557  -2.763  1.00  0.00           H   new
ATOM      0  HB2 GLU A  15       6.730   5.745  -2.275  1.00  0.00           H   new
ATOM      0  HB3 GLU A  15       5.169   4.967  -2.453  1.00  0.00           H   new
ATOM      0  HG2 GLU A  15       5.045   4.668   0.037  1.00  0.00           H   new
ATOM      0  HG3 GLU A  15       6.593   5.473   0.204  1.00  0.00           H   new
ATOM    217  N   GLY A  16       7.169   3.001   0.447  1.00  0.00           N
ATOM    218  CA  GLY A  16       7.965   2.813   1.649  1.00  0.00           C
ATOM    219  C   GLY A  16       8.981   1.685   1.463  1.00  0.00           C
ATOM    220  O   GLY A  16      10.168   1.866   1.729  1.00  0.00           O
ATOM      0  H   GLY A  16       6.190   2.727   0.535  1.00  0.00           H   new
ATOM      0  HA2 GLY A  16       8.485   3.739   1.893  1.00  0.00           H   new
ATOM      0  HA3 GLY A  16       7.311   2.583   2.490  1.00  0.00           H   new
ATOM    224  N   MET A  17       8.478   0.548   1.008  1.00  0.00           N
ATOM    225  CA  MET A  17       9.328  -0.610   0.785  1.00  0.00           C
ATOM    226  C   MET A  17      10.302  -0.359  -0.368  1.00  0.00           C
ATOM    227  O   MET A  17      11.209  -1.157  -0.603  1.00  0.00           O
ATOM    228  CB  MET A  17       8.458  -1.827   0.463  1.00  0.00           C
ATOM    229  CG  MET A  17       8.376  -2.774   1.661  1.00  0.00           C
ATOM    230  SD  MET A  17       9.383  -4.218   1.368  1.00  0.00           S
ATOM    231  CE  MET A  17       8.111  -5.413   0.996  1.00  0.00           C
ATOM      0  H   MET A  17       7.493   0.403   0.787  1.00  0.00           H   new
ATOM      0  HA  MET A  17       9.905  -0.795   1.691  1.00  0.00           H   new
ATOM      0  HB2 MET A  17       7.456  -1.499   0.185  1.00  0.00           H   new
ATOM      0  HB3 MET A  17       8.870  -2.356  -0.396  1.00  0.00           H   new
ATOM      0  HG2 MET A  17       8.713  -2.263   2.563  1.00  0.00           H   new
ATOM      0  HG3 MET A  17       7.341  -3.071   1.830  1.00  0.00           H   new
ATOM      0  HE1 MET A  17       8.570  -6.379   0.787  1.00  0.00           H   new
ATOM      0  HE2 MET A  17       7.440  -5.507   1.849  1.00  0.00           H   new
ATOM      0  HE3 MET A  17       7.546  -5.083   0.124  1.00  0.00           H   new
ATOM    241  N   ILE A  18      10.083   0.752  -1.055  1.00  0.00           N
ATOM    242  CA  ILE A  18      10.931   1.117  -2.177  1.00  0.00           C
ATOM    243  C   ILE A  18      12.099   1.968  -1.673  1.00  0.00           C
ATOM    244  O   ILE A  18      13.196   1.914  -2.227  1.00  0.00           O
ATOM    245  CB  ILE A  18      10.107   1.794  -3.274  1.00  0.00           C
ATOM    246  CG1 ILE A  18       8.999   0.868  -3.778  1.00  0.00           C
ATOM    247  CG2 ILE A  18      11.004   2.286  -4.411  1.00  0.00           C
ATOM    248  CD1 ILE A  18       7.890   1.663  -4.470  1.00  0.00           C
ATOM      0  H   ILE A  18       9.331   1.412  -0.857  1.00  0.00           H   new
ATOM      0  HA  ILE A  18      11.359   0.226  -2.636  1.00  0.00           H   new
ATOM      0  HB  ILE A  18       9.623   2.671  -2.844  1.00  0.00           H   new
ATOM      0 HG12 ILE A  18       9.417   0.140  -4.473  1.00  0.00           H   new
ATOM      0 HG13 ILE A  18       8.581   0.307  -2.942  1.00  0.00           H   new
ATOM      0 HG21 ILE A  18      10.392   2.763  -5.177  1.00  0.00           H   new
ATOM      0 HG22 ILE A  18      11.724   3.006  -4.021  1.00  0.00           H   new
ATOM      0 HG23 ILE A  18      11.536   1.440  -4.847  1.00  0.00           H   new
ATOM      0 HD11 ILE A  18       7.116   0.980  -4.818  1.00  0.00           H   new
ATOM      0 HD12 ILE A  18       7.457   2.373  -3.765  1.00  0.00           H   new
ATOM      0 HD13 ILE A  18       8.306   2.204  -5.320  1.00  0.00           H   new
ATOM    260  N   ASP A  19      11.824   2.732  -0.627  1.00  0.00           N
ATOM    261  CA  ASP A  19      12.838   3.593  -0.041  1.00  0.00           C
ATOM    262  C   ASP A  19      13.937   2.728   0.581  1.00  0.00           C
ATOM    263  O   ASP A  19      15.046   2.656   0.056  1.00  0.00           O
ATOM    264  CB  ASP A  19      12.245   4.471   1.063  1.00  0.00           C
ATOM    265  CG  ASP A  19      11.862   5.886   0.627  1.00  0.00           C
ATOM    266  OD1 ASP A  19      11.016   5.990  -0.286  1.00  0.00           O
ATOM    267  OD2 ASP A  19      12.425   6.834   1.218  1.00  0.00           O
ATOM      0  H   ASP A  19      10.913   2.773  -0.169  1.00  0.00           H   new
ATOM      0  HA  ASP A  19      13.238   4.229  -0.831  1.00  0.00           H   new
ATOM      0  HB2 ASP A  19      11.359   3.978   1.462  1.00  0.00           H   new
ATOM      0  HB3 ASP A  19      12.966   4.540   1.878  1.00  0.00           H   new