USER  MOD reduce.3.24.130724 H: found=0, std=0, add=132, rem=0, adj=2
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= -0.0587   (180deg=-0.359)
USER  MOD Single : A  12 ASN     :FLIP  amide:sc=   -4.22! C(o=-6.7!,f=-4.2!)
USER  MOD Single : A  17 MET CE  :methyl  180:sc=       0   (180deg=0)
USER  MOD -----------------------------------------------------------------
ATOM      1  N   GLY A   1     -14.457  -3.884   1.552  1.00  0.00           N
ATOM      2  CA  GLY A   1     -14.156  -2.476   1.355  1.00  0.00           C
ATOM      3  C   GLY A   1     -12.736  -2.148   1.824  1.00  0.00           C
ATOM      4  O   GLY A   1     -12.113  -1.214   1.321  1.00  0.00           O
ATOM      0  H1  GLY A   1     -15.315  -4.133   1.020  1.00  0.00           H   new
ATOM      0  H2  GLY A   1     -13.660  -4.460   1.213  1.00  0.00           H   new
ATOM      0  H3  GLY A   1     -14.611  -4.068   2.564  1.00  0.00           H   new
ATOM      0  HA2 GLY A   1     -14.262  -2.222   0.300  1.00  0.00           H   new
ATOM      0  HA3 GLY A   1     -14.874  -1.867   1.904  1.00  0.00           H   new
ATOM      8  N   LEU A   2     -12.267  -2.934   2.782  1.00  0.00           N
ATOM      9  CA  LEU A   2     -10.933  -2.739   3.323  1.00  0.00           C
ATOM     10  C   LEU A   2      -9.900  -3.257   2.321  1.00  0.00           C
ATOM     11  O   LEU A   2      -8.948  -2.554   1.985  1.00  0.00           O
ATOM     12  CB  LEU A   2     -10.819  -3.375   4.709  1.00  0.00           C
ATOM     13  CG  LEU A   2      -9.868  -2.685   5.689  1.00  0.00           C
ATOM     14  CD1 LEU A   2     -10.558  -1.511   6.387  1.00  0.00           C
ATOM     15  CD2 LEU A   2      -9.288  -3.686   6.690  1.00  0.00           C
ATOM      0  H   LEU A   2     -12.787  -3.707   3.197  1.00  0.00           H   new
ATOM      0  HA  LEU A   2     -10.732  -1.678   3.468  1.00  0.00           H   new
ATOM      0  HB2 LEU A   2     -11.812  -3.403   5.157  1.00  0.00           H   new
ATOM      0  HB3 LEU A   2     -10.495  -4.409   4.587  1.00  0.00           H   new
ATOM      0  HG  LEU A   2      -9.031  -2.277   5.122  1.00  0.00           H   new
ATOM      0 HD11 LEU A   2      -9.861  -1.038   7.078  1.00  0.00           H   new
ATOM      0 HD12 LEU A   2     -10.881  -0.784   5.642  1.00  0.00           H   new
ATOM      0 HD13 LEU A   2     -11.425  -1.874   6.939  1.00  0.00           H   new
ATOM      0 HD21 LEU A   2      -8.616  -3.168   7.374  1.00  0.00           H   new
ATOM      0 HD22 LEU A   2     -10.098  -4.146   7.256  1.00  0.00           H   new
ATOM      0 HD23 LEU A   2      -8.736  -4.458   6.154  1.00  0.00           H   new
ATOM     27  N   PHE A   3     -10.122  -4.483   1.871  1.00  0.00           N
ATOM     28  CA  PHE A   3      -9.223  -5.104   0.915  1.00  0.00           C
ATOM     29  C   PHE A   3      -9.067  -4.236  -0.335  1.00  0.00           C
ATOM     30  O   PHE A   3      -8.077  -4.351  -1.056  1.00  0.00           O
ATOM     31  CB  PHE A   3      -9.847  -6.444   0.516  1.00  0.00           C
ATOM     32  CG  PHE A   3      -8.830  -7.566   0.304  1.00  0.00           C
ATOM     33  CD1 PHE A   3      -7.532  -7.265   0.029  1.00  0.00           C
ATOM     34  CD2 PHE A   3      -9.222  -8.865   0.390  1.00  0.00           C
ATOM     35  CE1 PHE A   3      -6.588  -8.307  -0.168  1.00  0.00           C
ATOM     36  CE2 PHE A   3      -8.278  -9.907   0.192  1.00  0.00           C
ATOM     37  CZ  PHE A   3      -6.981  -9.606  -0.083  1.00  0.00           C
ATOM      0  H   PHE A   3     -10.913  -5.063   2.152  1.00  0.00           H   new
ATOM      0  HA  PHE A   3      -8.237  -5.232   1.362  1.00  0.00           H   new
ATOM      0  HB2 PHE A   3     -10.553  -6.749   1.289  1.00  0.00           H   new
ATOM      0  HB3 PHE A   3     -10.419  -6.308  -0.402  1.00  0.00           H   new
ATOM      0  HD1 PHE A   3      -7.220  -6.233  -0.039  1.00  0.00           H   new
ATOM      0  HD2 PHE A   3     -10.252  -9.104   0.609  1.00  0.00           H   new
ATOM      0  HE1 PHE A   3      -5.557  -8.068  -0.385  1.00  0.00           H   new
ATOM      0  HE2 PHE A   3      -8.590 -10.939   0.260  1.00  0.00           H   new
ATOM      0  HZ  PHE A   3      -6.263 -10.398  -0.234  1.00  0.00           H   new
ATOM     47  N   GLY A   4     -10.061  -3.388  -0.555  1.00  0.00           N
ATOM     48  CA  GLY A   4     -10.048  -2.501  -1.706  1.00  0.00           C
ATOM     49  C   GLY A   4      -9.336  -1.187  -1.377  1.00  0.00           C
ATOM     50  O   GLY A   4      -8.879  -0.483  -2.276  1.00  0.00           O
ATOM      0  H   GLY A   4     -10.881  -3.296   0.045  1.00  0.00           H   new
ATOM      0  HA2 GLY A   4      -9.548  -2.991  -2.541  1.00  0.00           H   new
ATOM      0  HA3 GLY A   4     -11.070  -2.295  -2.023  1.00  0.00           H   new
ATOM     54  N   ALA A   5      -9.266  -0.897  -0.087  1.00  0.00           N
ATOM     55  CA  ALA A   5      -8.618   0.320   0.373  1.00  0.00           C
ATOM     56  C   ALA A   5      -7.107   0.093   0.445  1.00  0.00           C
ATOM     57  O   ALA A   5      -6.327   1.035   0.314  1.00  0.00           O
ATOM     58  CB  ALA A   5      -9.210   0.737   1.720  1.00  0.00           C
ATOM      0  H   ALA A   5      -9.647  -1.484   0.655  1.00  0.00           H   new
ATOM      0  HA  ALA A   5      -8.795   1.136  -0.327  1.00  0.00           H   new
ATOM      0  HB1 ALA A   5      -8.724   1.650   2.064  1.00  0.00           H   new
ATOM      0  HB2 ALA A   5     -10.279   0.916   1.608  1.00  0.00           H   new
ATOM      0  HB3 ALA A   5      -9.050  -0.057   2.449  1.00  0.00           H   new
ATOM     64  N   ILE A   6      -6.739  -1.163   0.653  1.00  0.00           N
ATOM     65  CA  ILE A   6      -5.336  -1.526   0.744  1.00  0.00           C
ATOM     66  C   ILE A   6      -4.560  -0.836  -0.380  1.00  0.00           C
ATOM     67  O   ILE A   6      -3.477  -0.298  -0.153  1.00  0.00           O
ATOM     68  CB  ILE A   6      -5.176  -3.048   0.757  1.00  0.00           C
ATOM     69  CG1 ILE A   6      -6.000  -3.676   1.882  1.00  0.00           C
ATOM     70  CG2 ILE A   6      -3.700  -3.444   0.837  1.00  0.00           C
ATOM     71  CD1 ILE A   6      -5.595  -5.134   2.110  1.00  0.00           C
ATOM      0  H   ILE A   6      -7.389  -1.942   0.761  1.00  0.00           H   new
ATOM      0  HA  ILE A   6      -4.913  -1.176   1.685  1.00  0.00           H   new
ATOM      0  HB  ILE A   6      -5.564  -3.440  -0.183  1.00  0.00           H   new
ATOM      0 HG12 ILE A   6      -5.859  -3.108   2.801  1.00  0.00           H   new
ATOM      0 HG13 ILE A   6      -7.060  -3.624   1.634  1.00  0.00           H   new
ATOM      0 HG21 ILE A   6      -3.615  -4.531   0.845  1.00  0.00           H   new
ATOM      0 HG22 ILE A   6      -3.169  -3.044  -0.027  1.00  0.00           H   new
ATOM      0 HG23 ILE A   6      -3.264  -3.039   1.750  1.00  0.00           H   new
ATOM      0 HD11 ILE A   6      -6.196  -5.557   2.915  1.00  0.00           H   new
ATOM      0 HD12 ILE A   6      -5.760  -5.705   1.196  1.00  0.00           H   new
ATOM      0 HD13 ILE A   6      -4.540  -5.180   2.382  1.00  0.00           H   new
ATOM     83  N   ALA A   7      -5.145  -0.873  -1.568  1.00  0.00           N
ATOM     84  CA  ALA A   7      -4.522  -0.258  -2.728  1.00  0.00           C
ATOM     85  C   ALA A   7      -4.038   1.145  -2.357  1.00  0.00           C
ATOM     86  O   ALA A   7      -2.934   1.542  -2.728  1.00  0.00           O
ATOM     87  CB  ALA A   7      -5.515  -0.243  -3.892  1.00  0.00           C
ATOM      0  H   ALA A   7      -6.044  -1.319  -1.753  1.00  0.00           H   new
ATOM      0  HA  ALA A   7      -3.653  -0.833  -3.048  1.00  0.00           H   new
ATOM      0  HB1 ALA A   7      -5.048   0.218  -4.762  1.00  0.00           H   new
ATOM      0  HB2 ALA A   7      -5.806  -1.265  -4.135  1.00  0.00           H   new
ATOM      0  HB3 ALA A   7      -6.399   0.328  -3.609  1.00  0.00           H   new
ATOM     93  N   GLY A   8      -4.885   1.856  -1.629  1.00  0.00           N
ATOM     94  CA  GLY A   8      -4.556   3.206  -1.203  1.00  0.00           C
ATOM     95  C   GLY A   8      -3.380   3.202  -0.224  1.00  0.00           C
ATOM     96  O   GLY A   8      -2.612   4.160  -0.168  1.00  0.00           O
ATOM      0  H   GLY A   8      -5.799   1.523  -1.323  1.00  0.00           H   new
ATOM      0  HA2 GLY A   8      -4.308   3.815  -2.072  1.00  0.00           H   new
ATOM      0  HA3 GLY A   8      -5.425   3.664  -0.731  1.00  0.00           H   new
ATOM    100  N   PHE A   9      -3.277   2.112   0.523  1.00  0.00           N
ATOM    101  CA  PHE A   9      -2.207   1.969   1.495  1.00  0.00           C
ATOM    102  C   PHE A   9      -0.892   1.591   0.812  1.00  0.00           C
ATOM    103  O   PHE A   9       0.186   1.858   1.343  1.00  0.00           O
ATOM    104  CB  PHE A   9      -2.617   0.845   2.448  1.00  0.00           C
ATOM    105  CG  PHE A   9      -2.277   1.117   3.914  1.00  0.00           C
ATOM    106  CD1 PHE A   9      -3.034   1.986   4.637  1.00  0.00           C
ATOM    107  CD2 PHE A   9      -1.219   0.490   4.496  1.00  0.00           C
ATOM    108  CE1 PHE A   9      -2.719   2.238   5.999  1.00  0.00           C
ATOM    109  CE2 PHE A   9      -0.905   0.743   5.857  1.00  0.00           C
ATOM    110  CZ  PHE A   9      -1.661   1.612   6.580  1.00  0.00           C
ATOM      0  H   PHE A   9      -3.917   1.320   0.474  1.00  0.00           H   new
ATOM      0  HA  PHE A   9      -2.053   2.911   2.021  1.00  0.00           H   new
ATOM      0  HB2 PHE A   9      -3.691   0.681   2.359  1.00  0.00           H   new
ATOM      0  HB3 PHE A   9      -2.127  -0.078   2.137  1.00  0.00           H   new
ATOM      0  HD1 PHE A   9      -3.874   2.484   4.176  1.00  0.00           H   new
ATOM      0  HD2 PHE A   9      -0.618  -0.200   3.922  1.00  0.00           H   new
ATOM      0  HE1 PHE A   9      -3.320   2.927   6.573  1.00  0.00           H   new
ATOM      0  HE2 PHE A   9      -0.065   0.245   6.319  1.00  0.00           H   new
ATOM      0  HZ  PHE A   9      -1.421   1.805   7.615  1.00  0.00           H   new
ATOM    120  N   ILE A  10      -1.022   0.976  -0.354  1.00  0.00           N
ATOM    121  CA  ILE A  10       0.144   0.559  -1.114  1.00  0.00           C
ATOM    122  C   ILE A  10       1.030   1.775  -1.389  1.00  0.00           C
ATOM    123  O   ILE A  10       2.240   1.638  -1.565  1.00  0.00           O
ATOM    124  CB  ILE A  10      -0.282  -0.192  -2.378  1.00  0.00           C
ATOM    125  CG1 ILE A  10      -1.152  -1.401  -2.031  1.00  0.00           C
ATOM    126  CG2 ILE A  10       0.934  -0.583  -3.219  1.00  0.00           C
ATOM    127  CD1 ILE A  10      -1.277  -2.348  -3.228  1.00  0.00           C
ATOM      0  H   ILE A  10      -1.917   0.756  -0.791  1.00  0.00           H   new
ATOM      0  HA  ILE A  10       0.743  -0.147  -0.538  1.00  0.00           H   new
ATOM      0  HB  ILE A  10      -0.891   0.478  -2.985  1.00  0.00           H   new
ATOM      0 HG12 ILE A  10      -0.719  -1.934  -1.184  1.00  0.00           H   new
ATOM      0 HG13 ILE A  10      -2.142  -1.065  -1.724  1.00  0.00           H   new
ATOM      0 HG21 ILE A  10       0.604  -1.115  -4.111  1.00  0.00           H   new
ATOM      0 HG22 ILE A  10       1.477   0.315  -3.513  1.00  0.00           H   new
ATOM      0 HG23 ILE A  10       1.589  -1.228  -2.634  1.00  0.00           H   new
ATOM      0 HD11 ILE A  10      -1.900  -3.199  -2.955  1.00  0.00           H   new
ATOM      0 HD12 ILE A  10      -1.732  -1.818  -4.065  1.00  0.00           H   new
ATOM      0 HD13 ILE A  10      -0.287  -2.701  -3.517  1.00  0.00           H   new
ATOM    139  N   GLU A  11       0.394   2.936  -1.418  1.00  0.00           N
ATOM    140  CA  GLU A  11       1.109   4.176  -1.669  1.00  0.00           C
ATOM    141  C   GLU A  11       2.160   4.411  -0.582  1.00  0.00           C
ATOM    142  O   GLU A  11       3.123   5.146  -0.794  1.00  0.00           O
ATOM    143  CB  GLU A  11       0.143   5.358  -1.761  1.00  0.00           C
ATOM    144  CG  GLU A  11      -0.295   5.818  -0.369  1.00  0.00           C
ATOM    145  CD  GLU A  11       0.425   7.107   0.033  1.00  0.00           C
ATOM    146  OE1 GLU A  11       1.499   7.364  -0.553  1.00  0.00           O
ATOM    147  OE2 GLU A  11      -0.115   7.807   0.917  1.00  0.00           O
ATOM      0  H   GLU A  11      -0.610   3.045  -1.272  1.00  0.00           H   new
ATOM      0  HA  GLU A  11       1.618   4.091  -2.629  1.00  0.00           H   new
ATOM      0  HB2 GLU A  11       0.622   6.184  -2.287  1.00  0.00           H   new
ATOM      0  HB3 GLU A  11      -0.732   5.073  -2.346  1.00  0.00           H   new
ATOM      0  HG2 GLU A  11      -1.373   5.980  -0.358  1.00  0.00           H   new
ATOM      0  HG3 GLU A  11      -0.083   5.036   0.360  1.00  0.00           H   new
ATOM    154  N   ASN A  12       1.941   3.772   0.558  1.00  0.00           N
ATOM    155  CA  ASN A  12       2.857   3.903   1.677  1.00  0.00           C
ATOM    156  C   ASN A  12       3.536   2.556   1.935  1.00  0.00           C
ATOM    157  O   ASN A  12       4.697   2.508   2.336  1.00  0.00           O
ATOM    158  CB  ASN A  12       2.115   4.309   2.952  1.00  0.00           C
ATOM    159  CG  ASN A  12       1.296   3.142   3.506  1.00  0.00           C
ATOM    160  OD1 ASN A  12       2.022   2.220   4.131  1.00  0.00           O   flip
ATOM    161  ND2 ASN A  12       0.084   3.082   3.374  1.00  0.00           N   flip
ATOM      0  H   ASN A  12       1.142   3.162   0.730  1.00  0.00           H   new
ATOM      0  HA  ASN A  12       3.589   4.671   1.425  1.00  0.00           H   new
ATOM      0  HB2 ASN A  12       2.831   4.644   3.703  1.00  0.00           H   new
ATOM      0  HB3 ASN A  12       1.457   5.152   2.741  1.00  0.00           H   new
ATOM      0 HD21 ASN A  12      -0.413   3.825   2.882  1.00  0.00           H   new
ATOM      0 HD22 ASN A  12      -0.432   2.289   3.755  1.00  0.00           H   new
ATOM    168  N   ALA A  13       2.781   1.494   1.695  1.00  0.00           N
ATOM    169  CA  ALA A  13       3.295   0.150   1.895  1.00  0.00           C
ATOM    170  C   ALA A  13       4.236  -0.210   0.743  1.00  0.00           C
ATOM    171  O   ALA A  13       4.997  -1.172   0.834  1.00  0.00           O
ATOM    172  CB  ALA A  13       2.127  -0.830   2.021  1.00  0.00           C
ATOM      0  H   ALA A  13       1.817   1.537   1.364  1.00  0.00           H   new
ATOM      0  HA  ALA A  13       3.870   0.094   2.819  1.00  0.00           H   new
ATOM      0  HB1 ALA A  13       2.513  -1.838   2.171  1.00  0.00           H   new
ATOM      0  HB2 ALA A  13       1.506  -0.549   2.872  1.00  0.00           H   new
ATOM      0  HB3 ALA A  13       1.529  -0.802   1.110  1.00  0.00           H   new
ATOM    178  N   TRP A  14       4.153   0.584  -0.315  1.00  0.00           N
ATOM    179  CA  TRP A  14       4.988   0.362  -1.484  1.00  0.00           C
ATOM    180  C   TRP A  14       6.141   1.366  -1.439  1.00  0.00           C
ATOM    181  O   TRP A  14       7.269   1.008  -1.101  1.00  0.00           O
ATOM    182  CB  TRP A  14       4.165   0.453  -2.770  1.00  0.00           C
ATOM    183  CG  TRP A  14       4.890  -0.071  -4.012  1.00  0.00           C
ATOM    184  CD1 TRP A  14       5.942  -0.899  -4.064  1.00  0.00           C
ATOM    185  CD2 TRP A  14       4.573   0.234  -5.386  1.00  0.00           C
ATOM    186  NE1 TRP A  14       6.324  -1.151  -5.367  1.00  0.00           N
ATOM    187  CE2 TRP A  14       5.464  -0.439  -6.195  1.00  0.00           C
ATOM    188  CE3 TRP A  14       3.564   1.051  -5.927  1.00  0.00           C
ATOM    189  CZ2 TRP A  14       5.438  -0.364  -7.594  1.00  0.00           C
ATOM    190  CZ3 TRP A  14       3.552   1.115  -7.325  1.00  0.00           C
ATOM    191  CH2 TRP A  14       4.442   0.445  -8.155  1.00  0.00           C
ATOM      0  H   TRP A  14       3.521   1.381  -0.387  1.00  0.00           H   new
ATOM      0  HA  TRP A  14       5.404  -0.645  -1.476  1.00  0.00           H   new
ATOM      0  HB2 TRP A  14       3.240  -0.109  -2.638  1.00  0.00           H   new
ATOM      0  HB3 TRP A  14       3.885   1.493  -2.937  1.00  0.00           H   new
ATOM      0  HD1 TRP A  14       6.430  -1.317  -3.196  1.00  0.00           H   new
ATOM      0  HE1 TRP A  14       7.094  -1.749  -5.666  1.00  0.00           H   new
ATOM      0  HE3 TRP A  14       2.855   1.586  -5.313  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  14       6.147  -0.901  -8.206  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  14       2.797   1.729  -7.792  1.00  0.00           H   new
ATOM      0  HH2 TRP A  14       4.366   0.547  -9.227  1.00  0.00           H   new
ATOM    202  N   GLU A  15       5.819   2.604  -1.786  1.00  0.00           N
ATOM    203  CA  GLU A  15       6.814   3.663  -1.790  1.00  0.00           C
ATOM    204  C   GLU A  15       7.768   3.499  -0.604  1.00  0.00           C
ATOM    205  O   GLU A  15       8.953   3.814  -0.707  1.00  0.00           O
ATOM    206  CB  GLU A  15       6.149   5.041  -1.772  1.00  0.00           C
ATOM    207  CG  GLU A  15       5.782   5.454  -0.346  1.00  0.00           C
ATOM    208  CD  GLU A  15       7.003   5.999   0.398  1.00  0.00           C
ATOM    209  OE1 GLU A  15       7.784   6.728  -0.251  1.00  0.00           O
ATOM    210  OE2 GLU A  15       7.128   5.674   1.598  1.00  0.00           O
ATOM      0  H   GLU A  15       4.883   2.897  -2.066  1.00  0.00           H   new
ATOM      0  HA  GLU A  15       7.393   3.588  -2.711  1.00  0.00           H   new
ATOM      0  HB2 GLU A  15       6.823   5.780  -2.206  1.00  0.00           H   new
ATOM      0  HB3 GLU A  15       5.252   5.024  -2.392  1.00  0.00           H   new
ATOM      0  HG2 GLU A  15       5.000   6.213  -0.373  1.00  0.00           H   new
ATOM      0  HG3 GLU A  15       5.377   4.597   0.192  1.00  0.00           H   new
ATOM    217  N   GLY A  16       7.216   3.008   0.495  1.00  0.00           N
ATOM    218  CA  GLY A  16       8.001   2.800   1.699  1.00  0.00           C
ATOM    219  C   GLY A  16       8.960   1.619   1.531  1.00  0.00           C
ATOM    220  O   GLY A  16      10.161   1.752   1.760  1.00  0.00           O
ATOM      0  H   GLY A  16       6.233   2.748   0.577  1.00  0.00           H   new
ATOM      0  HA2 GLY A  16       8.567   3.703   1.929  1.00  0.00           H   new
ATOM      0  HA3 GLY A  16       7.337   2.616   2.543  1.00  0.00           H   new
ATOM    224  N   MET A  17       8.392   0.490   1.132  1.00  0.00           N
ATOM    225  CA  MET A  17       9.181  -0.713   0.930  1.00  0.00           C
ATOM    226  C   MET A  17      10.140  -0.549  -0.251  1.00  0.00           C
ATOM    227  O   MET A  17      11.002  -1.397  -0.477  1.00  0.00           O
ATOM    228  CB  MET A  17       8.248  -1.898   0.669  1.00  0.00           C
ATOM    229  CG  MET A  17       8.065  -2.740   1.933  1.00  0.00           C
ATOM    230  SD  MET A  17       6.968  -1.906   3.069  1.00  0.00           S
ATOM    231  CE  MET A  17       7.080  -3.005   4.471  1.00  0.00           C
ATOM      0  H   MET A  17       7.395   0.383   0.943  1.00  0.00           H   new
ATOM      0  HA  MET A  17       9.770  -0.893   1.829  1.00  0.00           H   new
ATOM      0  HB2 MET A  17       7.279  -1.534   0.327  1.00  0.00           H   new
ATOM      0  HB3 MET A  17       8.656  -2.518  -0.129  1.00  0.00           H   new
ATOM      0  HG2 MET A  17       7.658  -3.717   1.673  1.00  0.00           H   new
ATOM      0  HG3 MET A  17       9.031  -2.913   2.408  1.00  0.00           H   new
ATOM      0  HE1 MET A  17       6.451  -2.630   5.278  1.00  0.00           H   new
ATOM      0  HE2 MET A  17       6.744  -4.000   4.181  1.00  0.00           H   new
ATOM      0  HE3 MET A  17       8.114  -3.056   4.811  1.00  0.00           H   new
ATOM    241  N   ILE A  18       9.957   0.547  -0.971  1.00  0.00           N
ATOM    242  CA  ILE A  18      10.795   0.834  -2.123  1.00  0.00           C
ATOM    243  C   ILE A  18      11.902   1.808  -1.713  1.00  0.00           C
ATOM    244  O   ILE A  18      12.992   1.790  -2.282  1.00  0.00           O
ATOM    245  CB  ILE A  18       9.945   1.327  -3.296  1.00  0.00           C
ATOM    246  CG1 ILE A  18       8.817   0.341  -3.607  1.00  0.00           C
ATOM    247  CG2 ILE A  18      10.814   1.611  -4.522  1.00  0.00           C
ATOM    248  CD1 ILE A  18       9.289  -0.740  -4.582  1.00  0.00           C
ATOM      0  H   ILE A  18       9.241   1.247  -0.779  1.00  0.00           H   new
ATOM      0  HA  ILE A  18      11.283  -0.075  -2.474  1.00  0.00           H   new
ATOM      0  HB  ILE A  18       9.479   2.269  -3.008  1.00  0.00           H   new
ATOM      0 HG12 ILE A  18       8.470  -0.123  -2.684  1.00  0.00           H   new
ATOM      0 HG13 ILE A  18       7.969   0.876  -4.034  1.00  0.00           H   new
ATOM      0 HG21 ILE A  18      10.185   1.960  -5.341  1.00  0.00           H   new
ATOM      0 HG22 ILE A  18      11.549   2.378  -4.277  1.00  0.00           H   new
ATOM      0 HG23 ILE A  18      11.328   0.698  -4.823  1.00  0.00           H   new
ATOM      0 HD11 ILE A  18       8.469  -1.428  -4.787  1.00  0.00           H   new
ATOM      0 HD12 ILE A  18       9.613  -0.274  -5.513  1.00  0.00           H   new
ATOM      0 HD13 ILE A  18      10.122  -1.289  -4.142  1.00  0.00           H   new
ATOM    260  N   ASP A  19      11.583   2.636  -0.729  1.00  0.00           N
ATOM    261  CA  ASP A  19      12.537   3.615  -0.237  1.00  0.00           C
ATOM    262  C   ASP A  19      13.679   2.893   0.481  1.00  0.00           C
ATOM    263  O   ASP A  19      14.791   3.412   0.564  1.00  0.00           O
ATOM    264  CB  ASP A  19      11.880   4.570   0.762  1.00  0.00           C
ATOM    265  CG  ASP A  19      12.611   5.898   0.965  1.00  0.00           C
ATOM    266  OD1 ASP A  19      13.648   6.084   0.291  1.00  0.00           O
ATOM    267  OD2 ASP A  19      12.117   6.698   1.788  1.00  0.00           O
ATOM      0  H   ASP A  19      10.678   2.649  -0.259  1.00  0.00           H   new
ATOM      0  HA  ASP A  19      12.907   4.183  -1.090  1.00  0.00           H   new
ATOM      0  HB2 ASP A  19      10.864   4.779   0.427  1.00  0.00           H   new
ATOM      0  HB3 ASP A  19      11.800   4.066   1.725  1.00  0.00           H   new