USER  MOD reduce.3.24.130724 H: found=0, std=0, add=130, rem=0, adj=2
USER  MOD reduce.3.24.130724 removed 131 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 Set 1.1: A   6 SER OG  :   rot   47:sc=   0.237
USER  MOD Set 1.2: A  19 THR OG1 :   rot  -71:sc=    1.17
USER  MOD Single : A  10 GLN     :      amide:sc=       0  K(o=0,f=-0.93)
USER  MOD -----------------------------------------------------------------
ATOM     47  N   SER A   6      -5.753   3.333  -2.223  1.00  0.00           N
ATOM     48  CA  SER A   6      -4.448   2.697  -2.375  1.00  0.00           C
ATOM     49  C   SER A   6      -3.368   3.464  -1.619  1.00  0.00           C
ATOM     50  O   SER A   6      -3.327   4.694  -1.657  1.00  0.00           O
ATOM     51  CB  SER A   6      -4.086   2.570  -3.853  1.00  0.00           C
ATOM     52  OG  SER A   6      -5.150   1.993  -4.593  1.00  0.00           O
ATOM      0  HA  SER A   6      -4.508   1.697  -1.945  1.00  0.00           H   new
ATOM      0  HB2 SER A   6      -3.849   3.554  -4.258  1.00  0.00           H   new
ATOM      0  HB3 SER A   6      -3.191   1.957  -3.960  1.00  0.00           H   new
ATOM      0  HG  SER A   6      -5.992   2.434  -4.353  1.00  0.00           H   new
ATOM     58  N   ILE A   7      -2.499   2.728  -0.927  1.00  0.00           N
ATOM     59  CA  ILE A   7      -1.421   3.340  -0.154  1.00  0.00           C
ATOM     60  C   ILE A   7      -0.072   2.693  -0.395  1.00  0.00           C
ATOM     61  O   ILE A   7       0.027   1.482  -0.581  1.00  0.00           O
ATOM     62  CB  ILE A   7      -1.676   3.262   1.363  1.00  0.00           C
ATOM     63  CG1 ILE A   7      -2.359   1.939   1.725  1.00  0.00           C
ATOM     64  CG2 ILE A   7      -2.482   4.447   1.847  1.00  0.00           C
ATOM     65  CD1 ILE A   7      -2.495   1.715   3.216  1.00  0.00           C
ATOM      0  H   ILE A   7      -2.521   1.709  -0.886  1.00  0.00           H   new
ATOM      0  HA  ILE A   7      -1.406   4.375  -0.496  1.00  0.00           H   new
ATOM      0  HB  ILE A   7      -0.712   3.297   1.871  1.00  0.00           H   new
ATOM      0 HG12 ILE A   7      -3.349   1.915   1.271  1.00  0.00           H   new
ATOM      0 HG13 ILE A   7      -1.790   1.116   1.293  1.00  0.00           H   new
ATOM      0 HG21 ILE A   7      -2.645   4.362   2.921  1.00  0.00           H   new
ATOM      0 HG22 ILE A   7      -1.939   5.368   1.634  1.00  0.00           H   new
ATOM      0 HG23 ILE A   7      -3.444   4.466   1.335  1.00  0.00           H   new
ATOM      0 HD11 ILE A   7      -2.987   0.759   3.397  1.00  0.00           H   new
ATOM      0 HD12 ILE A   7      -1.506   1.706   3.674  1.00  0.00           H   new
ATOM      0 HD13 ILE A   7      -3.090   2.518   3.652  1.00  0.00           H   new
ATOM     77  N   ARG A   8       0.968   3.511  -0.300  1.00  0.00           N
ATOM     78  CA  ARG A   8       2.334   3.037  -0.417  1.00  0.00           C
ATOM     79  C   ARG A   8       2.777   2.598   0.967  1.00  0.00           C
ATOM     80  O   ARG A   8       3.128   3.432   1.802  1.00  0.00           O
ATOM     81  CB  ARG A   8       3.255   4.145  -0.938  1.00  0.00           C
ATOM     82  CG  ARG A   8       2.809   4.745  -2.264  1.00  0.00           C
ATOM     83  CD  ARG A   8       3.755   5.847  -2.723  1.00  0.00           C
ATOM     84  NE  ARG A   8       3.834   6.939  -1.755  1.00  0.00           N
ATOM     85  CZ  ARG A   8       4.689   7.953  -1.851  1.00  0.00           C
ATOM     86  NH1 ARG A   8       5.542   8.016  -2.866  1.00  0.00           N
ATOM     87  NH2 ARG A   8       4.691   8.906  -0.930  1.00  0.00           N
ATOM      0  H   ARG A   8       0.886   4.515  -0.141  1.00  0.00           H   new
ATOM      0  HA  ARG A   8       2.387   2.211  -1.126  1.00  0.00           H   new
ATOM      0  HB2 ARG A   8       3.311   4.938  -0.192  1.00  0.00           H   new
ATOM      0  HB3 ARG A   8       4.262   3.743  -1.053  1.00  0.00           H   new
ATOM      0  HG2 ARG A   8       2.764   3.963  -3.022  1.00  0.00           H   new
ATOM      0  HG3 ARG A   8       1.801   5.148  -2.162  1.00  0.00           H   new
ATOM      0  HD2 ARG A   8       4.749   5.429  -2.880  1.00  0.00           H   new
ATOM      0  HD3 ARG A   8       3.418   6.237  -3.683  1.00  0.00           H   new
ATOM      0  HE  ARG A   8       3.196   6.922  -0.959  1.00  0.00           H   new
ATOM      0 HH11 ARG A   8       5.544   7.285  -3.577  1.00  0.00           H   new
ATOM      0 HH12 ARG A   8       6.196   8.796  -2.935  1.00  0.00           H   new
ATOM      0 HH21 ARG A   8       4.037   8.861  -0.148  1.00  0.00           H   new
ATOM      0 HH22 ARG A   8       5.346   9.684  -1.003  1.00  0.00           H   new
ATOM    101  N   ILE A   9       2.717   1.301   1.236  1.00  0.00           N
ATOM    102  CA  ILE A   9       3.073   0.811   2.555  1.00  0.00           C
ATOM    103  C   ILE A   9       4.593   0.766   2.724  1.00  0.00           C
ATOM    104  O   ILE A   9       5.327   0.443   1.784  1.00  0.00           O
ATOM    105  CB  ILE A   9       2.463  -0.583   2.862  1.00  0.00           C
ATOM    106  CG1 ILE A   9       3.267  -1.719   2.213  1.00  0.00           C
ATOM    107  CG2 ILE A   9       1.009  -0.639   2.409  1.00  0.00           C
ATOM    108  CD1 ILE A   9       3.203  -1.751   0.702  1.00  0.00           C
ATOM      0  H   ILE A   9       2.431   0.583   0.571  1.00  0.00           H   new
ATOM      0  HA  ILE A   9       2.649   1.515   3.271  1.00  0.00           H   new
ATOM      0  HB  ILE A   9       2.507  -0.726   3.942  1.00  0.00           H   new
ATOM      0 HG12 ILE A   9       4.310  -1.629   2.518  1.00  0.00           H   new
ATOM      0 HG13 ILE A   9       2.903  -2.671   2.599  1.00  0.00           H   new
ATOM      0 HG21 ILE A   9       0.596  -1.623   2.631  1.00  0.00           H   new
ATOM      0 HG22 ILE A   9       0.434   0.123   2.935  1.00  0.00           H   new
ATOM      0 HG23 ILE A   9       0.955  -0.457   1.336  1.00  0.00           H   new
ATOM      0 HD11 ILE A   9       3.799  -2.584   0.330  1.00  0.00           H   new
ATOM      0 HD12 ILE A   9       2.168  -1.875   0.384  1.00  0.00           H   new
ATOM      0 HD13 ILE A   9       3.596  -0.817   0.301  1.00  0.00           H   new
ATOM    120  N   GLN A  10       5.052   1.110   3.924  1.00  0.00           N
ATOM    121  CA  GLN A  10       6.481   1.137   4.236  1.00  0.00           C
ATOM    122  C   GLN A  10       6.952  -0.182   4.843  1.00  0.00           C
ATOM    123  O   GLN A  10       8.056  -0.269   5.377  1.00  0.00           O
ATOM    124  CB  GLN A  10       6.798   2.295   5.188  1.00  0.00           C
ATOM    125  CG  GLN A  10       6.061   2.227   6.518  1.00  0.00           C
ATOM    126  CD  GLN A  10       6.427   3.374   7.443  1.00  0.00           C
ATOM    127  OE1 GLN A  10       7.149   4.290   7.056  1.00  0.00           O
ATOM    128  NE2 GLN A  10       5.930   3.327   8.670  1.00  0.00           N
ATOM      0  H   GLN A  10       4.450   1.376   4.703  1.00  0.00           H   new
ATOM      0  HA  GLN A  10       7.018   1.284   3.299  1.00  0.00           H   new
ATOM      0  HB2 GLN A  10       7.871   2.310   5.380  1.00  0.00           H   new
ATOM      0  HB3 GLN A  10       6.549   3.235   4.695  1.00  0.00           H   new
ATOM      0  HG2 GLN A  10       4.986   2.240   6.336  1.00  0.00           H   new
ATOM      0  HG3 GLN A  10       6.290   1.281   7.009  1.00  0.00           H   new
ATOM      0 HE21 GLN A  10       5.335   2.547   8.950  1.00  0.00           H   new
ATOM      0 HE22 GLN A  10       6.143   4.070   9.335  1.00  0.00           H   new
ATOM    137  N   ARG A  11       6.111  -1.203   4.764  1.00  0.00           N
ATOM    138  CA  ARG A  11       6.448  -2.513   5.309  1.00  0.00           C
ATOM    139  C   ARG A  11       6.949  -3.435   4.204  1.00  0.00           C
ATOM    140  O   ARG A  11       7.100  -3.013   3.058  1.00  0.00           O
ATOM    141  CB  ARG A  11       5.228  -3.130   5.997  1.00  0.00           C
ATOM    142  CG  ARG A  11       4.020  -3.262   5.085  1.00  0.00           C
ATOM    143  CD  ARG A  11       2.868  -3.968   5.777  1.00  0.00           C
ATOM    144  NE  ARG A  11       1.685  -4.041   4.923  1.00  0.00           N
ATOM    145  CZ  ARG A  11       0.539  -4.606   5.289  1.00  0.00           C
ATOM    146  NH1 ARG A  11       0.418  -5.154   6.490  1.00  0.00           N
ATOM    147  NH2 ARG A  11      -0.489  -4.623   4.452  1.00  0.00           N
ATOM      0  H   ARG A  11       5.190  -1.151   4.328  1.00  0.00           H   new
ATOM      0  HA  ARG A  11       7.242  -2.388   6.046  1.00  0.00           H   new
ATOM      0  HB2 ARG A  11       5.495  -4.116   6.378  1.00  0.00           H   new
ATOM      0  HB3 ARG A  11       4.958  -2.518   6.858  1.00  0.00           H   new
ATOM      0  HG2 ARG A  11       3.698  -2.272   4.762  1.00  0.00           H   new
ATOM      0  HG3 ARG A  11       4.300  -3.815   4.188  1.00  0.00           H   new
ATOM      0  HD2 ARG A  11       3.176  -4.975   6.059  1.00  0.00           H   new
ATOM      0  HD3 ARG A  11       2.619  -3.441   6.698  1.00  0.00           H   new
ATOM      0  HE  ARG A  11       1.742  -3.634   3.990  1.00  0.00           H   new
ATOM      0 HH11 ARG A  11       1.206  -5.143   7.137  1.00  0.00           H   new
ATOM      0 HH12 ARG A  11      -0.463  -5.587   6.767  1.00  0.00           H   new
ATOM      0 HH21 ARG A  11      -0.400  -4.202   3.527  1.00  0.00           H   new
ATOM      0 HH22 ARG A  11      -1.368  -5.057   4.733  1.00  0.00           H   new
ATOM    161  N   GLY A  12       7.208  -4.692   4.552  1.00  0.00           N
ATOM    162  CA  GLY A  12       7.693  -5.647   3.573  1.00  0.00           C
ATOM    163  C   GLY A  12       6.593  -6.549   3.048  1.00  0.00           C
ATOM    164  O   GLY A  12       5.446  -6.445   3.484  1.00  0.00           O
ATOM      0  H   GLY A  12       7.091  -5.066   5.494  1.00  0.00           H   new
ATOM      0  HA2 GLY A  12       8.147  -5.110   2.740  1.00  0.00           H   new
ATOM      0  HA3 GLY A  12       8.476  -6.258   4.023  1.00  0.00           H   new
ATOM    168  N   PRO A  13       6.911  -7.451   2.102  1.00  0.00           N
ATOM    169  CA  PRO A  13       8.264  -7.603   1.560  1.00  0.00           C
ATOM    170  C   PRO A  13       8.601  -6.535   0.520  1.00  0.00           C
ATOM    171  O   PRO A  13       8.068  -6.547  -0.590  1.00  0.00           O
ATOM    172  CB  PRO A  13       8.219  -8.990   0.917  1.00  0.00           C
ATOM    173  CG  PRO A  13       6.801  -9.160   0.491  1.00  0.00           C
ATOM    174  CD  PRO A  13       5.962  -8.399   1.489  1.00  0.00           C
ATOM      0  HA  PRO A  13       9.031  -7.494   2.326  1.00  0.00           H   new
ATOM      0  HB2 PRO A  13       8.899  -9.056   0.068  1.00  0.00           H   new
ATOM      0  HB3 PRO A  13       8.516  -9.765   1.624  1.00  0.00           H   new
ATOM      0  HG2 PRO A  13       6.650  -8.775  -0.517  1.00  0.00           H   new
ATOM      0  HG3 PRO A  13       6.524 -10.214   0.475  1.00  0.00           H   new
ATOM      0  HD2 PRO A  13       5.136  -7.879   1.003  1.00  0.00           H   new
ATOM      0  HD3 PRO A  13       5.525  -9.065   2.234  1.00  0.00           H   new
ATOM    182  N   GLY A  14       9.490  -5.617   0.887  1.00  0.00           N
ATOM    183  CA  GLY A  14       9.888  -4.556  -0.024  1.00  0.00           C
ATOM    184  C   GLY A  14       8.905  -3.399  -0.042  1.00  0.00           C
ATOM    185  O   GLY A  14       7.737  -3.563   0.307  1.00  0.00           O
ATOM      0  H   GLY A  14       9.943  -5.588   1.800  1.00  0.00           H   new
ATOM      0  HA2 GLY A  14      10.872  -4.186   0.263  1.00  0.00           H   new
ATOM      0  HA3 GLY A  14       9.982  -4.963  -1.031  1.00  0.00           H   new
ATOM    189  N   ARG A  15       9.380  -2.228  -0.462  1.00  0.00           N
ATOM    190  CA  ARG A  15       8.535  -1.039  -0.536  1.00  0.00           C
ATOM    191  C   ARG A  15       7.580  -1.138  -1.721  1.00  0.00           C
ATOM    192  O   ARG A  15       7.982  -1.523  -2.819  1.00  0.00           O
ATOM    193  CB  ARG A  15       9.391   0.225  -0.663  1.00  0.00           C
ATOM    194  CG  ARG A  15      10.115   0.624   0.618  1.00  0.00           C
ATOM    195  CD  ARG A  15      11.004  -0.493   1.146  1.00  0.00           C
ATOM    196  NE  ARG A  15      11.836  -0.050   2.264  1.00  0.00           N
ATOM    197  CZ  ARG A  15      11.352   0.345   3.440  1.00  0.00           C
ATOM    198  NH1 ARG A  15      10.046   0.339   3.664  1.00  0.00           N
ATOM    199  NH2 ARG A  15      12.179   0.743   4.396  1.00  0.00           N
ATOM      0  H   ARG A  15      10.345  -2.078  -0.756  1.00  0.00           H   new
ATOM      0  HA  ARG A  15       7.954  -0.978   0.384  1.00  0.00           H   new
ATOM      0  HB2 ARG A  15      10.129   0.072  -1.451  1.00  0.00           H   new
ATOM      0  HB3 ARG A  15       8.754   1.051  -0.979  1.00  0.00           H   new
ATOM      0  HG2 ARG A  15      10.721   1.511   0.430  1.00  0.00           H   new
ATOM      0  HG3 ARG A  15       9.382   0.894   1.379  1.00  0.00           H   new
ATOM      0  HD2 ARG A  15      10.383  -1.330   1.466  1.00  0.00           H   new
ATOM      0  HD3 ARG A  15      11.642  -0.859   0.342  1.00  0.00           H   new
ATOM      0  HE  ARG A  15      12.848  -0.043   2.135  1.00  0.00           H   new
ATOM      0 HH11 ARG A  15       9.405   0.030   2.933  1.00  0.00           H   new
ATOM      0 HH12 ARG A  15       9.682   0.643   4.567  1.00  0.00           H   new
ATOM      0 HH21 ARG A  15      13.186   0.747   4.231  1.00  0.00           H   new
ATOM      0 HH22 ARG A  15      11.809   1.046   5.297  1.00  0.00           H   new
ATOM    213  N   ALA A  16       6.319  -0.794  -1.491  1.00  0.00           N
ATOM    214  CA  ALA A  16       5.304  -0.848  -2.539  1.00  0.00           C
ATOM    215  C   ALA A  16       4.023  -0.186  -2.073  1.00  0.00           C
ATOM    216  O   ALA A  16       3.994   0.485  -1.042  1.00  0.00           O
ATOM    217  CB  ALA A  16       5.032  -2.294  -2.944  1.00  0.00           C
ATOM      0  H   ALA A  16       5.973  -0.474  -0.587  1.00  0.00           H   new
ATOM      0  HA  ALA A  16       5.679  -0.307  -3.407  1.00  0.00           H   new
ATOM      0  HB1 ALA A  16       4.273  -2.316  -3.726  1.00  0.00           H   new
ATOM      0  HB2 ALA A  16       5.951  -2.746  -3.317  1.00  0.00           H   new
ATOM      0  HB3 ALA A  16       4.678  -2.854  -2.078  1.00  0.00           H   new
ATOM    223  N   PHE A  17       2.967  -0.387  -2.835  1.00  0.00           N
ATOM    224  CA  PHE A  17       1.672   0.175  -2.493  1.00  0.00           C
ATOM    225  C   PHE A  17       0.569  -0.839  -2.764  1.00  0.00           C
ATOM    226  O   PHE A  17       0.661  -1.637  -3.697  1.00  0.00           O
ATOM    227  CB  PHE A  17       1.428   1.496  -3.239  1.00  0.00           C
ATOM    228  CG  PHE A  17       0.545   1.393  -4.447  1.00  0.00           C
ATOM    229  CD1 PHE A  17       0.902   0.597  -5.523  1.00  0.00           C
ATOM    230  CD2 PHE A  17      -0.638   2.114  -4.508  1.00  0.00           C
ATOM    231  CE1 PHE A  17       0.091   0.514  -6.638  1.00  0.00           C
ATOM    232  CE2 PHE A  17      -1.450   2.035  -5.625  1.00  0.00           C
ATOM    233  CZ  PHE A  17      -1.086   1.236  -6.689  1.00  0.00           C
ATOM      0  H   PHE A  17       2.978  -0.935  -3.695  1.00  0.00           H   new
ATOM      0  HA  PHE A  17       1.662   0.404  -1.427  1.00  0.00           H   new
ATOM      0  HB2 PHE A  17       0.985   2.210  -2.545  1.00  0.00           H   new
ATOM      0  HB3 PHE A  17       2.391   1.905  -3.546  1.00  0.00           H   new
ATOM      0  HD1 PHE A  17       1.824   0.036  -5.490  1.00  0.00           H   new
ATOM      0  HD2 PHE A  17      -0.927   2.741  -3.678  1.00  0.00           H   new
ATOM      0  HE1 PHE A  17       0.376  -0.114  -7.469  1.00  0.00           H   new
ATOM      0  HE2 PHE A  17      -2.370   2.599  -5.664  1.00  0.00           H   new
ATOM      0  HZ  PHE A  17      -1.720   1.175  -7.561  1.00  0.00           H   new
ATOM    243  N   VAL A  18      -0.457  -0.813  -1.925  1.00  0.00           N
ATOM    244  CA  VAL A  18      -1.575  -1.737  -2.045  1.00  0.00           C
ATOM    245  C   VAL A  18      -2.873  -0.975  -2.269  1.00  0.00           C
ATOM    246  O   VAL A  18      -2.954   0.218  -1.980  1.00  0.00           O
ATOM    247  CB  VAL A  18      -1.717  -2.598  -0.774  1.00  0.00           C
ATOM    248  CG1 VAL A  18      -2.581  -3.823  -1.034  1.00  0.00           C
ATOM    249  CG2 VAL A  18      -0.348  -2.995  -0.233  1.00  0.00           C
ATOM      0  H   VAL A  18      -0.538  -0.157  -1.148  1.00  0.00           H   new
ATOM      0  HA  VAL A  18      -1.376  -2.385  -2.898  1.00  0.00           H   new
ATOM      0  HB  VAL A  18      -2.217  -1.997  -0.015  1.00  0.00           H   new
ATOM      0 HG11 VAL A  18      -2.663  -4.411  -0.120  1.00  0.00           H   new
ATOM      0 HG12 VAL A  18      -3.574  -3.507  -1.353  1.00  0.00           H   new
ATOM      0 HG13 VAL A  18      -2.125  -4.430  -1.816  1.00  0.00           H   new
ATOM      0 HG21 VAL A  18      -0.473  -3.602   0.664  1.00  0.00           H   new
ATOM      0 HG22 VAL A  18       0.189  -3.569  -0.988  1.00  0.00           H   new
ATOM      0 HG23 VAL A  18       0.220  -2.098   0.012  1.00  0.00           H   new
ATOM    259  N   THR A  19      -3.885  -1.675  -2.767  1.00  0.00           N
ATOM    260  CA  THR A  19      -5.187  -1.070  -3.019  1.00  0.00           C
ATOM    261  C   THR A  19      -6.265  -1.738  -2.162  1.00  0.00           C
ATOM    262  O   THR A  19      -6.575  -2.916  -2.347  1.00  0.00           O
ATOM    263  CB  THR A  19      -5.546  -1.181  -4.501  1.00  0.00           C
ATOM    264  OG1 THR A  19      -4.552  -0.562  -5.302  1.00  0.00           O
ATOM    265  CG2 THR A  19      -6.873  -0.539  -4.849  1.00  0.00           C
ATOM      0  H   THR A  19      -3.829  -2.665  -3.005  1.00  0.00           H   new
ATOM      0  HA  THR A  19      -5.135  -0.015  -2.749  1.00  0.00           H   new
ATOM      0  HB  THR A  19      -5.614  -2.250  -4.702  1.00  0.00           H   new
ATOM      0  HG1 THR A  19      -4.599   0.410  -5.188  1.00  0.00           H   new
ATOM      0 HG21 THR A  19      -7.065  -0.655  -5.916  1.00  0.00           H   new
ATOM      0 HG22 THR A  19      -7.670  -1.021  -4.283  1.00  0.00           H   new
ATOM      0 HG23 THR A  19      -6.841   0.522  -4.599  1.00  0.00           H   new
ATOM    273  N   ILE A  20      -6.821  -0.979  -1.225  1.00  0.00           N
ATOM    274  CA  ILE A  20      -7.848  -1.461  -0.331  1.00  0.00           C
ATOM    275  C   ILE A  20      -9.232  -0.978  -0.753  1.00  0.00           C
ATOM    276  O   ILE A  20      -9.358  -0.026  -1.521  1.00  0.00           O
ATOM    277  CB  ILE A  20      -7.577  -0.974   1.095  1.00  0.00           C
ATOM    278  CG1 ILE A  20      -7.429   0.547   1.121  1.00  0.00           C
ATOM    279  CG2 ILE A  20      -6.342  -1.651   1.670  1.00  0.00           C
ATOM    280  CD1 ILE A  20      -7.360   1.115   2.514  1.00  0.00           C
ATOM      0  H   ILE A  20      -6.564  -0.004  -1.069  1.00  0.00           H   new
ATOM      0  HA  ILE A  20      -7.826  -2.550  -0.371  1.00  0.00           H   new
ATOM      0  HB  ILE A  20      -8.429  -1.244   1.719  1.00  0.00           H   new
ATOM      0 HG12 ILE A  20      -6.527   0.827   0.577  1.00  0.00           H   new
ATOM      0 HG13 ILE A  20      -8.271   0.996   0.594  1.00  0.00           H   new
ATOM      0 HG21 ILE A  20      -6.168  -1.290   2.684  1.00  0.00           H   new
ATOM      0 HG22 ILE A  20      -6.495  -2.730   1.690  1.00  0.00           H   new
ATOM      0 HG23 ILE A  20      -5.477  -1.418   1.049  1.00  0.00           H   new
ATOM      0 HD11 ILE A  20      -7.255   2.199   2.460  1.00  0.00           H   new
ATOM      0 HD12 ILE A  20      -8.273   0.865   3.054  1.00  0.00           H   new
ATOM      0 HD13 ILE A  20      -6.502   0.693   3.037  1.00  0.00           H   new
ATOM    292  N   GLY A  21     -10.262  -1.628  -0.220  1.00  0.00           N
ATOM    293  CA  GLY A  21     -11.634  -1.247  -0.522  1.00  0.00           C
ATOM    294  C   GLY A  21     -11.958  -1.289  -2.005  1.00  0.00           C
ATOM    295  O   GLY A  21     -13.021  -0.753  -2.389  1.00  0.00           O
ATOM      0  H   GLY A  21     -10.172  -2.417   0.420  1.00  0.00           H   new
ATOM      0  HA2 GLY A  21     -12.314  -1.913   0.010  1.00  0.00           H   new
ATOM      0  HA3 GLY A  21     -11.815  -0.240  -0.146  1.00  0.00           H   new