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= -0.0942   (180deg=-0.33)
USER  MOD Single : A  12 ASN     :      amide:sc= -0.0975  X(o=-0.097,f=0)
USER  MOD Single : A  17 MET CE  :methyl  144:sc=       0   (180deg=-0.0409)
USER  MOD -----------------------------------------------------------------
ATOM      1  N   GLY A   1     -14.527  -3.684   1.712  1.00  0.00           N
ATOM      2  CA  GLY A   1     -14.183  -2.275   1.616  1.00  0.00           C
ATOM      3  C   GLY A   1     -12.733  -2.035   2.042  1.00  0.00           C
ATOM      4  O   GLY A   1     -12.099  -1.084   1.586  1.00  0.00           O
ATOM      0  H1  GLY A   1     -15.417  -3.860   1.203  1.00  0.00           H   new
ATOM      0  H2  GLY A   1     -13.768  -4.256   1.290  1.00  0.00           H   new
ATOM      0  H3  GLY A   1     -14.642  -3.946   2.712  1.00  0.00           H   new
ATOM      0  HA2 GLY A   1     -14.327  -1.931   0.592  1.00  0.00           H   new
ATOM      0  HA3 GLY A   1     -14.853  -1.690   2.246  1.00  0.00           H   new
ATOM      8  N   LEU A   2     -12.252  -2.911   2.910  1.00  0.00           N
ATOM      9  CA  LEU A   2     -10.889  -2.806   3.402  1.00  0.00           C
ATOM     10  C   LEU A   2      -9.920  -3.275   2.314  1.00  0.00           C
ATOM     11  O   LEU A   2      -8.959  -2.579   1.993  1.00  0.00           O
ATOM     12  CB  LEU A   2     -10.737  -3.558   4.725  1.00  0.00           C
ATOM     13  CG  LEU A   2      -9.719  -2.983   5.712  1.00  0.00           C
ATOM     14  CD1 LEU A   2     -10.338  -1.859   6.546  1.00  0.00           C
ATOM     15  CD2 LEU A   2      -9.121  -4.085   6.588  1.00  0.00           C
ATOM      0  H   LEU A   2     -12.782  -3.697   3.286  1.00  0.00           H   new
ATOM      0  HA  LEU A   2     -10.644  -1.767   3.622  1.00  0.00           H   new
ATOM      0  HB2 LEU A   2     -11.710  -3.590   5.215  1.00  0.00           H   new
ATOM      0  HB3 LEU A   2     -10.457  -4.588   4.504  1.00  0.00           H   new
ATOM      0  HG  LEU A   2      -8.899  -2.546   5.141  1.00  0.00           H   new
ATOM      0 HD11 LEU A   2      -9.593  -1.468   7.239  1.00  0.00           H   new
ATOM      0 HD12 LEU A   2     -10.675  -1.059   5.886  1.00  0.00           H   new
ATOM      0 HD13 LEU A   2     -11.187  -2.248   7.107  1.00  0.00           H   new
ATOM      0 HD21 LEU A   2      -8.401  -3.649   7.280  1.00  0.00           H   new
ATOM      0 HD22 LEU A   2      -9.916  -4.573   7.151  1.00  0.00           H   new
ATOM      0 HD23 LEU A   2      -8.619  -4.819   5.957  1.00  0.00           H   new
ATOM     27  N   PHE A   3     -10.208  -4.452   1.778  1.00  0.00           N
ATOM     28  CA  PHE A   3      -9.375  -5.021   0.733  1.00  0.00           C
ATOM     29  C   PHE A   3      -9.243  -4.058  -0.450  1.00  0.00           C
ATOM     30  O   PHE A   3      -8.289  -4.145  -1.221  1.00  0.00           O
ATOM     31  CB  PHE A   3     -10.066  -6.302   0.258  1.00  0.00           C
ATOM     32  CG  PHE A   3      -9.101  -7.435  -0.093  1.00  0.00           C
ATOM     33  CD1 PHE A   3      -8.542  -7.495  -1.332  1.00  0.00           C
ATOM     34  CD2 PHE A   3      -8.801  -8.385   0.833  1.00  0.00           C
ATOM     35  CE1 PHE A   3      -7.647  -8.547  -1.658  1.00  0.00           C
ATOM     36  CE2 PHE A   3      -7.906  -9.438   0.508  1.00  0.00           C
ATOM     37  CZ  PHE A   3      -7.347  -9.497  -0.731  1.00  0.00           C
ATOM      0  H   PHE A   3     -11.006  -5.027   2.048  1.00  0.00           H   new
ATOM      0  HA  PHE A   3      -8.375  -5.217   1.120  1.00  0.00           H   new
ATOM      0  HB2 PHE A   3     -10.746  -6.646   1.037  1.00  0.00           H   new
ATOM      0  HB3 PHE A   3     -10.674  -6.072  -0.617  1.00  0.00           H   new
ATOM      0  HD1 PHE A   3      -8.780  -6.741  -2.068  1.00  0.00           H   new
ATOM      0  HD2 PHE A   3      -9.244  -8.338   1.817  1.00  0.00           H   new
ATOM      0  HE1 PHE A   3      -7.204  -8.594  -2.642  1.00  0.00           H   new
ATOM      0  HE2 PHE A   3      -7.669 -10.192   1.244  1.00  0.00           H   new
ATOM      0  HZ  PHE A   3      -6.666 -10.297  -0.979  1.00  0.00           H   new
ATOM     47  N   GLY A   4     -10.213  -3.163  -0.553  1.00  0.00           N
ATOM     48  CA  GLY A   4     -10.217  -2.185  -1.628  1.00  0.00           C
ATOM     49  C   GLY A   4      -9.445  -0.926  -1.227  1.00  0.00           C
ATOM     50  O   GLY A   4      -9.004  -0.164  -2.085  1.00  0.00           O
ATOM      0  H   GLY A   4     -11.002  -3.094   0.090  1.00  0.00           H   new
ATOM      0  HA2 GLY A   4      -9.771  -2.620  -2.522  1.00  0.00           H   new
ATOM      0  HA3 GLY A   4     -11.244  -1.921  -1.881  1.00  0.00           H   new
ATOM     54  N   ALA A   5      -9.306  -0.747   0.079  1.00  0.00           N
ATOM     55  CA  ALA A   5      -8.595   0.407   0.604  1.00  0.00           C
ATOM     56  C   ALA A   5      -7.092   0.124   0.588  1.00  0.00           C
ATOM     57  O   ALA A   5      -6.283   1.047   0.498  1.00  0.00           O
ATOM     58  CB  ALA A   5      -9.113   0.730   2.007  1.00  0.00           C
ATOM      0  H   ALA A   5      -9.673  -1.381   0.788  1.00  0.00           H   new
ATOM      0  HA  ALA A   5      -8.772   1.284  -0.019  1.00  0.00           H   new
ATOM      0  HB1 ALA A   5      -8.580   1.595   2.401  1.00  0.00           H   new
ATOM      0  HB2 ALA A   5     -10.179   0.951   1.959  1.00  0.00           H   new
ATOM      0  HB3 ALA A   5      -8.949  -0.126   2.661  1.00  0.00           H   new
ATOM     64  N   ILE A   6      -6.762  -1.156   0.676  1.00  0.00           N
ATOM     65  CA  ILE A   6      -5.369  -1.572   0.673  1.00  0.00           C
ATOM     66  C   ILE A   6      -4.619  -0.816  -0.426  1.00  0.00           C
ATOM     67  O   ILE A   6      -3.508  -0.335  -0.205  1.00  0.00           O
ATOM     68  CB  ILE A   6      -5.265  -3.094   0.554  1.00  0.00           C
ATOM     69  CG1 ILE A   6      -6.062  -3.786   1.661  1.00  0.00           C
ATOM     70  CG2 ILE A   6      -3.802  -3.543   0.535  1.00  0.00           C
ATOM     71  CD1 ILE A   6      -5.701  -5.270   1.751  1.00  0.00           C
ATOM      0  H   ILE A   6      -7.435  -1.919   0.750  1.00  0.00           H   new
ATOM      0  HA  ILE A   6      -4.892  -1.316   1.619  1.00  0.00           H   new
ATOM      0  HB  ILE A   6      -5.707  -3.394  -0.396  1.00  0.00           H   new
ATOM      0 HG12 ILE A   6      -5.861  -3.301   2.616  1.00  0.00           H   new
ATOM      0 HG13 ILE A   6      -7.129  -3.679   1.467  1.00  0.00           H   new
ATOM      0 HG21 ILE A   6      -3.756  -4.629   0.450  1.00  0.00           H   new
ATOM      0 HG22 ILE A   6      -3.293  -3.090  -0.316  1.00  0.00           H   new
ATOM      0 HG23 ILE A   6      -3.313  -3.230   1.458  1.00  0.00           H   new
ATOM      0 HD11 ILE A   6      -6.282  -5.738   2.546  1.00  0.00           H   new
ATOM      0 HD12 ILE A   6      -5.926  -5.757   0.802  1.00  0.00           H   new
ATOM      0 HD13 ILE A   6      -4.638  -5.373   1.969  1.00  0.00           H   new
ATOM     83  N   ALA A   7      -5.254  -0.736  -1.585  1.00  0.00           N
ATOM     84  CA  ALA A   7      -4.661  -0.048  -2.719  1.00  0.00           C
ATOM     85  C   ALA A   7      -4.109   1.302  -2.258  1.00  0.00           C
ATOM     86  O   ALA A   7      -3.009   1.693  -2.645  1.00  0.00           O
ATOM     87  CB  ALA A   7      -5.702   0.097  -3.831  1.00  0.00           C
ATOM      0  H   ALA A   7      -6.175  -1.137  -1.764  1.00  0.00           H   new
ATOM      0  HA  ALA A   7      -3.829  -0.624  -3.125  1.00  0.00           H   new
ATOM      0  HB1 ALA A   7      -5.257   0.613  -4.681  1.00  0.00           H   new
ATOM      0  HB2 ALA A   7      -6.041  -0.891  -4.143  1.00  0.00           H   new
ATOM      0  HB3 ALA A   7      -6.551   0.672  -3.462  1.00  0.00           H   new
ATOM     93  N   GLY A   8      -4.898   1.979  -1.436  1.00  0.00           N
ATOM     94  CA  GLY A   8      -4.502   3.278  -0.918  1.00  0.00           C
ATOM     95  C   GLY A   8      -3.285   3.153   0.001  1.00  0.00           C
ATOM     96  O   GLY A   8      -2.481   4.078   0.101  1.00  0.00           O
ATOM      0  H   GLY A   8      -5.810   1.652  -1.116  1.00  0.00           H   new
ATOM      0  HA2 GLY A   8      -4.270   3.948  -1.746  1.00  0.00           H   new
ATOM      0  HA3 GLY A   8      -5.332   3.724  -0.370  1.00  0.00           H   new
ATOM    100  N   PHE A   9      -3.190   2.003   0.651  1.00  0.00           N
ATOM    101  CA  PHE A   9      -2.085   1.745   1.559  1.00  0.00           C
ATOM    102  C   PHE A   9      -0.815   1.382   0.788  1.00  0.00           C
ATOM    103  O   PHE A   9       0.293   1.568   1.288  1.00  0.00           O
ATOM    104  CB  PHE A   9      -2.493   0.559   2.435  1.00  0.00           C
ATOM    105  CG  PHE A   9      -1.510   0.254   3.566  1.00  0.00           C
ATOM    106  CD1 PHE A   9      -1.250   1.194   4.514  1.00  0.00           C
ATOM    107  CD2 PHE A   9      -0.894  -0.957   3.624  1.00  0.00           C
ATOM    108  CE1 PHE A   9      -0.338   0.911   5.565  1.00  0.00           C
ATOM    109  CE2 PHE A   9       0.019  -1.241   4.675  1.00  0.00           C
ATOM    110  CZ  PHE A   9       0.277  -0.301   5.622  1.00  0.00           C
ATOM      0  H   PHE A   9      -3.860   1.239   0.567  1.00  0.00           H   new
ATOM      0  HA  PHE A   9      -1.875   2.635   2.152  1.00  0.00           H   new
ATOM      0  HB2 PHE A   9      -3.475   0.759   2.865  1.00  0.00           H   new
ATOM      0  HB3 PHE A   9      -2.594  -0.326   1.807  1.00  0.00           H   new
ATOM      0  HD1 PHE A   9      -1.738   2.157   4.467  1.00  0.00           H   new
ATOM      0  HD2 PHE A   9      -1.099  -1.703   2.871  1.00  0.00           H   new
ATOM      0  HE1 PHE A   9      -0.133   1.657   6.318  1.00  0.00           H   new
ATOM      0  HE2 PHE A   9       0.508  -2.203   4.721  1.00  0.00           H   new
ATOM      0  HZ  PHE A   9       0.971  -0.517   6.421  1.00  0.00           H   new
ATOM    120  N   ILE A  10      -1.019   0.871  -0.418  1.00  0.00           N
ATOM    121  CA  ILE A  10       0.097   0.479  -1.262  1.00  0.00           C
ATOM    122  C   ILE A  10       1.013   1.685  -1.480  1.00  0.00           C
ATOM    123  O   ILE A  10       2.214   1.525  -1.699  1.00  0.00           O
ATOM    124  CB  ILE A  10      -0.411  -0.149  -2.561  1.00  0.00           C
ATOM    125  CG1 ILE A  10      -1.308  -1.355  -2.274  1.00  0.00           C
ATOM    126  CG2 ILE A  10       0.753  -0.510  -3.487  1.00  0.00           C
ATOM    127  CD1 ILE A  10      -1.520  -2.195  -3.534  1.00  0.00           C
ATOM      0  H   ILE A  10      -1.940   0.720  -0.830  1.00  0.00           H   new
ATOM      0  HA  ILE A  10       0.694  -0.291  -0.773  1.00  0.00           H   new
ATOM      0  HB  ILE A  10      -1.021   0.590  -3.081  1.00  0.00           H   new
ATOM      0 HG12 ILE A  10      -0.858  -1.970  -1.495  1.00  0.00           H   new
ATOM      0 HG13 ILE A  10      -2.271  -1.014  -1.894  1.00  0.00           H   new
ATOM      0 HG21 ILE A  10       0.365  -0.955  -4.403  1.00  0.00           H   new
ATOM      0 HG22 ILE A  10       1.316   0.391  -3.731  1.00  0.00           H   new
ATOM      0 HG23 ILE A  10       1.408  -1.223  -2.987  1.00  0.00           H   new
ATOM      0 HD11 ILE A  10      -2.161  -3.045  -3.301  1.00  0.00           H   new
ATOM      0 HD12 ILE A  10      -1.993  -1.584  -4.303  1.00  0.00           H   new
ATOM      0 HD13 ILE A  10      -0.558  -2.555  -3.897  1.00  0.00           H   new
ATOM    139  N   GLU A  11       0.413   2.864  -1.411  1.00  0.00           N
ATOM    140  CA  GLU A  11       1.161   4.096  -1.598  1.00  0.00           C
ATOM    141  C   GLU A  11       2.248   4.224  -0.529  1.00  0.00           C
ATOM    142  O   GLU A  11       3.218   4.960  -0.710  1.00  0.00           O
ATOM    143  CB  GLU A  11       0.231   5.310  -1.581  1.00  0.00           C
ATOM    144  CG  GLU A  11      -0.252   5.650  -2.992  1.00  0.00           C
ATOM    145  CD  GLU A  11      -0.746   7.097  -3.069  1.00  0.00           C
ATOM    146  OE1 GLU A  11      -1.576   7.459  -2.208  1.00  0.00           O
ATOM    147  OE2 GLU A  11      -0.284   7.807  -3.989  1.00  0.00           O
ATOM      0  H   GLU A  11      -0.582   2.993  -1.228  1.00  0.00           H   new
ATOM      0  HA  GLU A  11       1.642   4.061  -2.576  1.00  0.00           H   new
ATOM      0  HB2 GLU A  11      -0.626   5.107  -0.938  1.00  0.00           H   new
ATOM      0  HB3 GLU A  11       0.753   6.167  -1.155  1.00  0.00           H   new
ATOM      0  HG2 GLU A  11       0.560   5.501  -3.704  1.00  0.00           H   new
ATOM      0  HG3 GLU A  11      -1.056   4.972  -3.278  1.00  0.00           H   new
ATOM    154  N   ASN A  12       2.051   3.497   0.560  1.00  0.00           N
ATOM    155  CA  ASN A  12       3.002   3.520   1.658  1.00  0.00           C
ATOM    156  C   ASN A  12       3.677   2.152   1.772  1.00  0.00           C
ATOM    157  O   ASN A  12       4.857   2.064   2.108  1.00  0.00           O
ATOM    158  CB  ASN A  12       2.304   3.815   2.987  1.00  0.00           C
ATOM    159  CG  ASN A  12       2.149   5.322   3.203  1.00  0.00           C
ATOM    160  OD1 ASN A  12       1.055   5.864   3.214  1.00  0.00           O
ATOM    161  ND2 ASN A  12       3.300   5.965   3.372  1.00  0.00           N
ATOM      0  H   ASN A  12       1.246   2.888   0.706  1.00  0.00           H   new
ATOM      0  HA  ASN A  12       3.733   4.303   1.453  1.00  0.00           H   new
ATOM      0  HB2 ASN A  12       1.323   3.339   3.000  1.00  0.00           H   new
ATOM      0  HB3 ASN A  12       2.878   3.384   3.807  1.00  0.00           H   new
ATOM      0 HD21 ASN A  12       3.303   6.974   3.522  1.00  0.00           H   new
ATOM      0 HD22 ASN A  12       4.180   5.450   3.351  1.00  0.00           H   new
ATOM    168  N   ALA A  13       2.897   1.119   1.487  1.00  0.00           N
ATOM    169  CA  ALA A  13       3.405  -0.241   1.553  1.00  0.00           C
ATOM    170  C   ALA A  13       4.284  -0.513   0.331  1.00  0.00           C
ATOM    171  O   ALA A  13       5.030  -1.491   0.303  1.00  0.00           O
ATOM    172  CB  ALA A  13       2.232  -1.219   1.657  1.00  0.00           C
ATOM      0  H   ALA A  13       1.918   1.196   1.210  1.00  0.00           H   new
ATOM      0  HA  ALA A  13       4.023  -0.377   2.440  1.00  0.00           H   new
ATOM      0  HB1 ALA A  13       2.612  -2.239   1.707  1.00  0.00           H   new
ATOM      0  HB2 ALA A  13       1.656  -1.002   2.557  1.00  0.00           H   new
ATOM      0  HB3 ALA A  13       1.591  -1.113   0.782  1.00  0.00           H   new
ATOM    178  N   TRP A  14       4.168   0.370  -0.650  1.00  0.00           N
ATOM    179  CA  TRP A  14       4.943   0.237  -1.872  1.00  0.00           C
ATOM    180  C   TRP A  14       6.112   1.220  -1.799  1.00  0.00           C
ATOM    181  O   TRP A  14       7.248   0.823  -1.548  1.00  0.00           O
ATOM    182  CB  TRP A  14       4.062   0.445  -3.106  1.00  0.00           C
ATOM    183  CG  TRP A  14       4.722   0.025  -4.419  1.00  0.00           C
ATOM    184  CD1 TRP A  14       5.759  -0.806  -4.594  1.00  0.00           C
ATOM    185  CD2 TRP A  14       4.344   0.451  -5.746  1.00  0.00           C
ATOM    186  NE1 TRP A  14       6.077  -0.945  -5.930  1.00  0.00           N
ATOM    187  CE2 TRP A  14       5.189  -0.157  -6.653  1.00  0.00           C
ATOM    188  CE3 TRP A  14       3.323   1.321  -6.166  1.00  0.00           C
ATOM    189  CZ2 TRP A  14       5.100   0.040  -8.036  1.00  0.00           C
ATOM    190  CZ3 TRP A  14       3.247   1.508  -7.552  1.00  0.00           C
ATOM    191  CH2 TRP A  14       4.090   0.903  -8.477  1.00  0.00           C
ATOM      0  H   TRP A  14       3.549   1.180  -0.623  1.00  0.00           H   new
ATOM      0  HA  TRP A  14       5.343  -0.773  -1.968  1.00  0.00           H   new
ATOM      0  HB2 TRP A  14       3.138  -0.119  -2.979  1.00  0.00           H   new
ATOM      0  HB3 TRP A  14       3.787   1.498  -3.170  1.00  0.00           H   new
ATOM      0  HD1 TRP A  14       6.281  -1.304  -3.790  1.00  0.00           H   new
ATOM      0  HE1 TRP A  14       6.826  -1.520  -6.316  1.00  0.00           H   new
ATOM      0  HE3 TRP A  14       2.650   1.807  -5.475  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  14       5.774  -0.447  -8.725  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  14       2.480   2.168  -7.928  1.00  0.00           H   new
ATOM      0  HH2 TRP A  14       3.966   1.098  -9.532  1.00  0.00           H   new
ATOM    202  N   GLU A  15       5.793   2.487  -2.024  1.00  0.00           N
ATOM    203  CA  GLU A  15       6.803   3.530  -1.987  1.00  0.00           C
ATOM    204  C   GLU A  15       7.810   3.257  -0.868  1.00  0.00           C
ATOM    205  O   GLU A  15       9.014   3.412  -1.059  1.00  0.00           O
ATOM    206  CB  GLU A  15       6.162   4.909  -1.821  1.00  0.00           C
ATOM    207  CG  GLU A  15       5.364   5.297  -3.068  1.00  0.00           C
ATOM    208  CD  GLU A  15       4.546   6.567  -2.824  1.00  0.00           C
ATOM    209  OE1 GLU A  15       5.167   7.571  -2.412  1.00  0.00           O
ATOM    210  OE2 GLU A  15       3.319   6.504  -3.053  1.00  0.00           O
ATOM      0  H   GLU A  15       4.850   2.814  -2.232  1.00  0.00           H   new
ATOM      0  HA  GLU A  15       7.336   3.524  -2.938  1.00  0.00           H   new
ATOM      0  HB2 GLU A  15       5.505   4.906  -0.951  1.00  0.00           H   new
ATOM      0  HB3 GLU A  15       6.936   5.653  -1.634  1.00  0.00           H   new
ATOM      0  HG2 GLU A  15       6.044   5.454  -3.905  1.00  0.00           H   new
ATOM      0  HG3 GLU A  15       4.699   4.480  -3.347  1.00  0.00           H   new
ATOM    217  N   GLY A  16       7.278   2.852   0.277  1.00  0.00           N
ATOM    218  CA  GLY A  16       8.115   2.554   1.427  1.00  0.00           C
ATOM    219  C   GLY A  16       8.957   1.300   1.183  1.00  0.00           C
ATOM    220  O   GLY A  16      10.154   1.288   1.464  1.00  0.00           O
ATOM      0  H   GLY A  16       6.278   2.723   0.432  1.00  0.00           H   new
ATOM      0  HA2 GLY A  16       8.769   3.401   1.634  1.00  0.00           H   new
ATOM      0  HA3 GLY A  16       7.490   2.411   2.309  1.00  0.00           H   new
ATOM    224  N   MET A  17       8.297   0.276   0.661  1.00  0.00           N
ATOM    225  CA  MET A  17       8.969  -0.980   0.377  1.00  0.00           C
ATOM    226  C   MET A  17       9.991  -0.811  -0.750  1.00  0.00           C
ATOM    227  O   MET A  17      10.773  -1.721  -1.024  1.00  0.00           O
ATOM    228  CB  MET A  17       7.935  -2.033  -0.026  1.00  0.00           C
ATOM    229  CG  MET A  17       7.370  -2.745   1.204  1.00  0.00           C
ATOM    230  SD  MET A  17       8.477  -4.050   1.715  1.00  0.00           S
ATOM    231  CE  MET A  17       7.975  -5.340   0.589  1.00  0.00           C
ATOM      0  H   MET A  17       7.304   0.291   0.428  1.00  0.00           H   new
ATOM      0  HA  MET A  17       9.495  -1.301   1.276  1.00  0.00           H   new
ATOM      0  HB2 MET A  17       7.125  -1.559  -0.580  1.00  0.00           H   new
ATOM      0  HB3 MET A  17       8.394  -2.762  -0.694  1.00  0.00           H   new
ATOM      0  HG2 MET A  17       7.235  -2.032   2.017  1.00  0.00           H   new
ATOM      0  HG3 MET A  17       6.388  -3.158   0.976  1.00  0.00           H   new
ATOM      0  HE1 MET A  17       8.847  -5.924   0.292  1.00  0.00           H   new
ATOM      0  HE2 MET A  17       7.252  -5.991   1.081  1.00  0.00           H   new
ATOM      0  HE3 MET A  17       7.519  -4.894  -0.295  1.00  0.00           H   new
ATOM    241  N   ILE A  18       9.952   0.358  -1.371  1.00  0.00           N
ATOM    242  CA  ILE A  18      10.865   0.657  -2.462  1.00  0.00           C
ATOM    243  C   ILE A  18      12.089   1.390  -1.910  1.00  0.00           C
ATOM    244  O   ILE A  18      13.199   1.219  -2.413  1.00  0.00           O
ATOM    245  CB  ILE A  18      10.141   1.420  -3.572  1.00  0.00           C
ATOM    246  CG1 ILE A  18       9.157   0.511  -4.311  1.00  0.00           C
ATOM    247  CG2 ILE A  18      11.140   2.078  -4.527  1.00  0.00           C
ATOM    248  CD1 ILE A  18       8.653   1.176  -5.594  1.00  0.00           C
ATOM      0  H   ILE A  18       9.303   1.110  -1.140  1.00  0.00           H   new
ATOM      0  HA  ILE A  18      11.224  -0.264  -2.922  1.00  0.00           H   new
ATOM      0  HB  ILE A  18       9.559   2.219  -3.113  1.00  0.00           H   new
ATOM      0 HG12 ILE A  18       9.642  -0.435  -4.554  1.00  0.00           H   new
ATOM      0 HG13 ILE A  18       8.313   0.279  -3.662  1.00  0.00           H   new
ATOM      0 HG21 ILE A  18      10.599   2.614  -5.307  1.00  0.00           H   new
ATOM      0 HG22 ILE A  18      11.766   2.778  -3.973  1.00  0.00           H   new
ATOM      0 HG23 ILE A  18      11.767   1.312  -4.982  1.00  0.00           H   new
ATOM      0 HD11 ILE A  18       7.955   0.509  -6.100  1.00  0.00           H   new
ATOM      0 HD12 ILE A  18       8.147   2.109  -5.346  1.00  0.00           H   new
ATOM      0 HD13 ILE A  18       9.497   1.384  -6.252  1.00  0.00           H   new
ATOM    260  N   ASP A  19      11.846   2.190  -0.882  1.00  0.00           N
ATOM    261  CA  ASP A  19      12.915   2.950  -0.255  1.00  0.00           C
ATOM    262  C   ASP A  19      13.281   2.300   1.080  1.00  0.00           C
ATOM    263  O   ASP A  19      13.005   1.121   1.299  1.00  0.00           O
ATOM    264  CB  ASP A  19      12.478   4.389   0.023  1.00  0.00           C
ATOM    265  CG  ASP A  19      11.544   4.561   1.222  1.00  0.00           C
ATOM    266  OD1 ASP A  19      11.030   3.524   1.694  1.00  0.00           O
ATOM    267  OD2 ASP A  19      11.365   5.726   1.640  1.00  0.00           O
ATOM      0  H   ASP A  19      10.924   2.329  -0.467  1.00  0.00           H   new
ATOM      0  HA  ASP A  19      13.767   2.958  -0.935  1.00  0.00           H   new
ATOM      0  HB2 ASP A  19      13.367   4.998   0.184  1.00  0.00           H   new
ATOM      0  HB3 ASP A  19      11.981   4.780  -0.865  1.00  0.00           H   new