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   32:sc=   0.641
USER  MOD Set 1.2: A  19 THR OG1 :   rot  -58:sc=    0.51
USER  MOD Single : A  10 GLN     :      amide:sc=       0  X(o=0,f=0)
USER  MOD -----------------------------------------------------------------
ATOM     47  N   SER A   6      -5.881   3.073  -2.480  1.00  0.00           N
ATOM     48  CA  SER A   6      -4.614   2.362  -2.367  1.00  0.00           C
ATOM     49  C   SER A   6      -3.633   3.170  -1.519  1.00  0.00           C
ATOM     50  O   SER A   6      -3.738   4.395  -1.451  1.00  0.00           O
ATOM     51  CB  SER A   6      -4.043   2.082  -3.757  1.00  0.00           C
ATOM     52  OG  SER A   6      -5.010   1.452  -4.587  1.00  0.00           O
ATOM      0  HA  SER A   6      -4.782   1.406  -1.872  1.00  0.00           H   new
ATOM      0  HB2 SER A   6      -3.718   3.016  -4.216  1.00  0.00           H   new
ATOM      0  HB3 SER A   6      -3.162   1.446  -3.671  1.00  0.00           H   new
ATOM      0  HG  SER A   6      -5.906   1.765  -4.342  1.00  0.00           H   new
ATOM     58  N   ILE A   7      -2.691   2.491  -0.865  1.00  0.00           N
ATOM     59  CA  ILE A   7      -1.716   3.175  -0.019  1.00  0.00           C
ATOM     60  C   ILE A   7      -0.286   2.756  -0.284  1.00  0.00           C
ATOM     61  O   ILE A   7       0.004   1.588  -0.541  1.00  0.00           O
ATOM     62  CB  ILE A   7      -1.973   2.933   1.481  1.00  0.00           C
ATOM     63  CG1 ILE A   7      -2.413   1.486   1.728  1.00  0.00           C
ATOM     64  CG2 ILE A   7      -2.985   3.913   2.034  1.00  0.00           C
ATOM     65  CD1 ILE A   7      -2.597   1.149   3.192  1.00  0.00           C
ATOM      0  H   ILE A   7      -2.583   1.477  -0.904  1.00  0.00           H   new
ATOM      0  HA  ILE A   7      -1.845   4.227  -0.275  1.00  0.00           H   new
ATOM      0  HB  ILE A   7      -1.036   3.099   2.012  1.00  0.00           H   new
ATOM      0 HG12 ILE A   7      -3.350   1.305   1.202  1.00  0.00           H   new
ATOM      0 HG13 ILE A   7      -1.672   0.812   1.299  1.00  0.00           H   new
ATOM      0 HG21 ILE A   7      -3.143   3.714   3.094  1.00  0.00           H   new
ATOM      0 HG22 ILE A   7      -2.614   4.930   1.907  1.00  0.00           H   new
ATOM      0 HG23 ILE A   7      -3.929   3.802   1.500  1.00  0.00           H   new
ATOM      0 HD11 ILE A   7      -2.909   0.109   3.290  1.00  0.00           H   new
ATOM      0 HD12 ILE A   7      -1.655   1.297   3.721  1.00  0.00           H   new
ATOM      0 HD13 ILE A   7      -3.360   1.798   3.622  1.00  0.00           H   new
ATOM     77  N   ARG A   8       0.609   3.723  -0.135  1.00  0.00           N
ATOM     78  CA  ARG A   8       2.033   3.488  -0.273  1.00  0.00           C
ATOM     79  C   ARG A   8       2.533   2.931   1.047  1.00  0.00           C
ATOM     80  O   ARG A   8       2.846   3.686   1.968  1.00  0.00           O
ATOM     81  CB  ARG A   8       2.761   4.792  -0.612  1.00  0.00           C
ATOM     82  CG  ARG A   8       2.257   5.459  -1.884  1.00  0.00           C
ATOM     83  CD  ARG A   8       2.891   6.827  -2.090  1.00  0.00           C
ATOM     84  NE  ARG A   8       4.350   6.761  -2.104  1.00  0.00           N
ATOM     85  CZ  ARG A   8       5.136   7.832  -2.159  1.00  0.00           C
ATOM     86  NH1 ARG A   8       4.606   9.047  -2.192  1.00  0.00           N
ATOM     87  NH2 ARG A   8       6.454   7.690  -2.176  1.00  0.00           N
ATOM      0  H   ARG A   8       0.366   4.689   0.084  1.00  0.00           H   new
ATOM      0  HA  ARG A   8       2.226   2.784  -1.083  1.00  0.00           H   new
ATOM      0  HB2 ARG A   8       2.651   5.487   0.221  1.00  0.00           H   new
ATOM      0  HB3 ARG A   8       3.826   4.587  -0.717  1.00  0.00           H   new
ATOM      0  HG2 ARG A   8       2.478   4.823  -2.741  1.00  0.00           H   new
ATOM      0  HG3 ARG A   8       1.173   5.564  -1.835  1.00  0.00           H   new
ATOM      0  HD2 ARG A   8       2.539   7.251  -3.030  1.00  0.00           H   new
ATOM      0  HD3 ARG A   8       2.567   7.499  -1.296  1.00  0.00           H   new
ATOM      0  HE  ARG A   8       4.791   5.842  -2.070  1.00  0.00           H   new
ATOM      0 HH11 ARG A   8       3.593   9.162  -2.175  1.00  0.00           H   new
ATOM      0 HH12 ARG A   8       5.212   9.867  -2.234  1.00  0.00           H   new
ATOM      0 HH21 ARG A   8       6.867   6.758  -2.147  1.00  0.00           H   new
ATOM      0 HH22 ARG A   8       7.055   8.513  -2.218  1.00  0.00           H   new
ATOM    101  N   ILE A   9       2.560   1.612   1.158  1.00  0.00           N
ATOM    102  CA  ILE A   9       2.970   0.977   2.396  1.00  0.00           C
ATOM    103  C   ILE A   9       4.491   1.001   2.544  1.00  0.00           C
ATOM    104  O   ILE A   9       5.226   0.939   1.558  1.00  0.00           O
ATOM    105  CB  ILE A   9       2.484  -0.492   2.460  1.00  0.00           C
ATOM    106  CG1 ILE A   9       3.361  -1.390   1.574  1.00  0.00           C
ATOM    107  CG2 ILE A   9       1.022  -0.590   2.044  1.00  0.00           C
ATOM    108  CD1 ILE A   9       2.580  -2.307   0.656  1.00  0.00           C
ATOM      0  H   ILE A   9       2.305   0.966   0.411  1.00  0.00           H   new
ATOM      0  HA  ILE A   9       2.516   1.541   3.211  1.00  0.00           H   new
ATOM      0  HB  ILE A   9       2.571  -0.838   3.490  1.00  0.00           H   new
ATOM      0 HG12 ILE A   9       4.014  -0.760   0.970  1.00  0.00           H   new
ATOM      0 HG13 ILE A   9       4.004  -1.995   2.213  1.00  0.00           H   new
ATOM      0 HG21 ILE A   9       0.698  -1.629   2.095  1.00  0.00           H   new
ATOM      0 HG22 ILE A   9       0.411   0.014   2.715  1.00  0.00           H   new
ATOM      0 HG23 ILE A   9       0.909  -0.225   1.023  1.00  0.00           H   new
ATOM      0 HD11 ILE A   9       3.273  -2.907   0.065  1.00  0.00           H   new
ATOM      0 HD12 ILE A   9       1.947  -2.965   1.251  1.00  0.00           H   new
ATOM      0 HD13 ILE A   9       1.957  -1.710  -0.010  1.00  0.00           H   new
ATOM    120  N   GLN A  10       4.958   1.076   3.783  1.00  0.00           N
ATOM    121  CA  GLN A  10       6.390   1.086   4.064  1.00  0.00           C
ATOM    122  C   GLN A  10       6.838  -0.297   4.523  1.00  0.00           C
ATOM    123  O   GLN A  10       7.960  -0.479   4.994  1.00  0.00           O
ATOM    124  CB  GLN A  10       6.720   2.133   5.133  1.00  0.00           C
ATOM    125  CG  GLN A  10       6.005   1.909   6.459  1.00  0.00           C
ATOM    126  CD  GLN A  10       6.406   2.921   7.513  1.00  0.00           C
ATOM    127  OE1 GLN A  10       7.046   2.581   8.507  1.00  0.00           O
ATOM    128  NE2 GLN A  10       6.031   4.175   7.302  1.00  0.00           N
ATOM      0  H   GLN A  10       4.366   1.131   4.612  1.00  0.00           H   new
ATOM      0  HA  GLN A  10       6.925   1.347   3.151  1.00  0.00           H   new
ATOM      0  HB2 GLN A  10       7.796   2.133   5.307  1.00  0.00           H   new
ATOM      0  HB3 GLN A  10       6.459   3.121   4.753  1.00  0.00           H   new
ATOM      0  HG2 GLN A  10       4.928   1.962   6.301  1.00  0.00           H   new
ATOM      0  HG3 GLN A  10       6.225   0.905   6.822  1.00  0.00           H   new
ATOM      0 HE21 GLN A  10       5.501   4.415   6.464  1.00  0.00           H   new
ATOM      0 HE22 GLN A  10       6.273   4.900   7.978  1.00  0.00           H   new
ATOM    137  N   ARG A  11       5.938  -1.264   4.391  1.00  0.00           N
ATOM    138  CA  ARG A  11       6.206  -2.638   4.798  1.00  0.00           C
ATOM    139  C   ARG A  11       6.575  -3.497   3.592  1.00  0.00           C
ATOM    140  O   ARG A  11       6.815  -2.979   2.501  1.00  0.00           O
ATOM    141  CB  ARG A  11       4.968  -3.209   5.497  1.00  0.00           C
ATOM    142  CG  ARG A  11       4.431  -2.304   6.599  1.00  0.00           C
ATOM    143  CD  ARG A  11       3.113  -2.816   7.162  1.00  0.00           C
ATOM    144  NE  ARG A  11       3.268  -4.079   7.880  1.00  0.00           N
ATOM    145  CZ  ARG A  11       2.273  -4.689   8.522  1.00  0.00           C
ATOM    146  NH1 ARG A  11       1.054  -4.165   8.514  1.00  0.00           N
ATOM    147  NH2 ARG A  11       2.496  -5.826   9.167  1.00  0.00           N
ATOM      0  H   ARG A  11       5.007  -1.119   4.001  1.00  0.00           H   new
ATOM      0  HA  ARG A  11       7.050  -2.646   5.488  1.00  0.00           H   new
ATOM      0  HB2 ARG A  11       4.185  -3.374   4.757  1.00  0.00           H   new
ATOM      0  HB3 ARG A  11       5.215  -4.182   5.922  1.00  0.00           H   new
ATOM      0  HG2 ARG A  11       5.166  -2.234   7.401  1.00  0.00           H   new
ATOM      0  HG3 ARG A  11       4.291  -1.297   6.206  1.00  0.00           H   new
ATOM      0  HD2 ARG A  11       2.693  -2.068   7.834  1.00  0.00           H   new
ATOM      0  HD3 ARG A  11       2.400  -2.949   6.348  1.00  0.00           H   new
ATOM      0  HE  ARG A  11       4.189  -4.518   7.890  1.00  0.00           H   new
ATOM      0 HH11 ARG A  11       0.877  -3.293   8.015  1.00  0.00           H   new
ATOM      0 HH12 ARG A  11       0.294  -4.634   9.006  1.00  0.00           H   new
ATOM      0 HH21 ARG A  11       3.431  -6.235   9.172  1.00  0.00           H   new
ATOM      0 HH22 ARG A  11       1.733  -6.292   9.658  1.00  0.00           H   new
ATOM    161  N   GLY A  12       6.616  -4.809   3.798  1.00  0.00           N
ATOM    162  CA  GLY A  12       6.951  -5.729   2.725  1.00  0.00           C
ATOM    163  C   GLY A  12       5.772  -6.596   2.330  1.00  0.00           C
ATOM    164  O   GLY A  12       4.675  -6.422   2.861  1.00  0.00           O
ATOM      0  H   GLY A  12       6.422  -5.255   4.695  1.00  0.00           H   new
ATOM      0  HA2 GLY A  12       7.293  -5.165   1.857  1.00  0.00           H   new
ATOM      0  HA3 GLY A  12       7.779  -6.365   3.038  1.00  0.00           H   new
ATOM    168  N   PRO A  13       5.961  -7.546   1.397  1.00  0.00           N
ATOM    169  CA  PRO A  13       7.247  -7.788   0.739  1.00  0.00           C
ATOM    170  C   PRO A  13       7.487  -6.840  -0.433  1.00  0.00           C
ATOM    171  O   PRO A  13       6.785  -6.899  -1.443  1.00  0.00           O
ATOM    172  CB  PRO A  13       7.108  -9.227   0.247  1.00  0.00           C
ATOM    173  CG  PRO A  13       5.651  -9.389  -0.037  1.00  0.00           C
ATOM    174  CD  PRO A  13       4.917  -8.467   0.908  1.00  0.00           C
ATOM      0  HA  PRO A  13       8.093  -7.625   1.407  1.00  0.00           H   new
ATOM      0  HB2 PRO A  13       7.708  -9.400  -0.647  1.00  0.00           H   new
ATOM      0  HB3 PRO A  13       7.446  -9.938   1.001  1.00  0.00           H   new
ATOM      0  HG2 PRO A  13       5.429  -9.137  -1.074  1.00  0.00           H   new
ATOM      0  HG3 PRO A  13       5.341 -10.423   0.113  1.00  0.00           H   new
ATOM      0  HD2 PRO A  13       4.118  -7.929   0.399  1.00  0.00           H   new
ATOM      0  HD3 PRO A  13       4.458  -9.020   1.727  1.00  0.00           H   new
ATOM    182  N   GLY A  14       8.480  -5.966  -0.293  1.00  0.00           N
ATOM    183  CA  GLY A  14       8.789  -5.018  -1.347  1.00  0.00           C
ATOM    184  C   GLY A  14       8.175  -3.656  -1.091  1.00  0.00           C
ATOM    185  O   GLY A  14       6.977  -3.547  -0.831  1.00  0.00           O
ATOM      0  H   GLY A  14       9.076  -5.898   0.532  1.00  0.00           H   new
ATOM      0  HA2 GLY A  14       9.871  -4.916  -1.436  1.00  0.00           H   new
ATOM      0  HA3 GLY A  14       8.426  -5.405  -2.299  1.00  0.00           H   new
ATOM    189  N   ARG A  15       8.997  -2.616  -1.161  1.00  0.00           N
ATOM    190  CA  ARG A  15       8.532  -1.254  -0.933  1.00  0.00           C
ATOM    191  C   ARG A  15       7.656  -0.782  -2.089  1.00  0.00           C
ATOM    192  O   ARG A  15       8.158  -0.331  -3.118  1.00  0.00           O
ATOM    193  CB  ARG A  15       9.731  -0.316  -0.757  1.00  0.00           C
ATOM    194  CG  ARG A  15      10.663  -0.717   0.380  1.00  0.00           C
ATOM    195  CD  ARG A  15       9.959  -0.687   1.730  1.00  0.00           C
ATOM    196  NE  ARG A  15      10.878  -0.987   2.828  1.00  0.00           N
ATOM    197  CZ  ARG A  15      10.945  -0.285   3.957  1.00  0.00           C
ATOM    198  NH1 ARG A  15      10.171   0.779   4.136  1.00  0.00           N
ATOM    199  NH2 ARG A  15      11.796  -0.644   4.907  1.00  0.00           N
ATOM      0  H   ARG A  15       9.992  -2.691  -1.374  1.00  0.00           H   new
ATOM      0  HA  ARG A  15       7.932  -1.239  -0.023  1.00  0.00           H   new
ATOM      0  HB2 ARG A  15      10.299  -0.288  -1.687  1.00  0.00           H   new
ATOM      0  HB3 ARG A  15       9.366   0.695  -0.576  1.00  0.00           H   new
ATOM      0  HG2 ARG A  15      11.051  -1.719   0.195  1.00  0.00           H   new
ATOM      0  HG3 ARG A  15      11.519  -0.043   0.402  1.00  0.00           H   new
ATOM      0  HD2 ARG A  15       9.514   0.296   1.886  1.00  0.00           H   new
ATOM      0  HD3 ARG A  15       9.143  -1.410   1.731  1.00  0.00           H   new
ATOM      0  HE  ARG A  15      11.506  -1.783   2.722  1.00  0.00           H   new
ATOM      0 HH11 ARG A  15       9.519   1.064   3.405  1.00  0.00           H   new
ATOM      0 HH12 ARG A  15      10.229   1.311   5.004  1.00  0.00           H   new
ATOM      0 HH21 ARG A  15      12.398  -1.456   4.772  1.00  0.00           H   new
ATOM      0 HH22 ARG A  15      11.849  -0.108   5.773  1.00  0.00           H   new
ATOM    213  N   ALA A  16       6.343  -0.895  -1.910  1.00  0.00           N
ATOM    214  CA  ALA A  16       5.382  -0.487  -2.931  1.00  0.00           C
ATOM    215  C   ALA A  16       4.045  -0.148  -2.293  1.00  0.00           C
ATOM    216  O   ALA A  16       3.890  -0.248  -1.081  1.00  0.00           O
ATOM    217  CB  ALA A  16       5.214  -1.593  -3.965  1.00  0.00           C
ATOM      0  H   ALA A  16       5.918  -1.268  -1.061  1.00  0.00           H   new
ATOM      0  HA  ALA A  16       5.760   0.404  -3.432  1.00  0.00           H   new
ATOM      0  HB1 ALA A  16       4.495  -1.278  -4.721  1.00  0.00           H   new
ATOM      0  HB2 ALA A  16       6.174  -1.797  -4.439  1.00  0.00           H   new
ATOM      0  HB3 ALA A  16       4.852  -2.497  -3.475  1.00  0.00           H   new
ATOM    223  N   PHE A  17       3.081   0.253  -3.108  1.00  0.00           N
ATOM    224  CA  PHE A  17       1.761   0.598  -2.590  1.00  0.00           C
ATOM    225  C   PHE A  17       0.761  -0.518  -2.879  1.00  0.00           C
ATOM    226  O   PHE A  17       0.862  -1.209  -3.895  1.00  0.00           O
ATOM    227  CB  PHE A  17       1.280   1.938  -3.165  1.00  0.00           C
ATOM    228  CG  PHE A  17       0.450   1.833  -4.408  1.00  0.00           C
ATOM    229  CD1 PHE A  17       0.904   1.130  -5.509  1.00  0.00           C
ATOM    230  CD2 PHE A  17      -0.787   2.458  -4.474  1.00  0.00           C
ATOM    231  CE1 PHE A  17       0.142   1.047  -6.658  1.00  0.00           C
ATOM    232  CE2 PHE A  17      -1.555   2.376  -5.624  1.00  0.00           C
ATOM    233  CZ  PHE A  17      -1.088   1.672  -6.715  1.00  0.00           C
ATOM      0  H   PHE A  17       3.183   0.348  -4.118  1.00  0.00           H   new
ATOM      0  HA  PHE A  17       1.836   0.710  -1.508  1.00  0.00           H   new
ATOM      0  HB2 PHE A  17       0.700   2.456  -2.402  1.00  0.00           H   new
ATOM      0  HB3 PHE A  17       2.151   2.558  -3.379  1.00  0.00           H   new
ATOM      0  HD1 PHE A  17       1.866   0.640  -5.470  1.00  0.00           H   new
ATOM      0  HD2 PHE A  17      -1.154   3.012  -3.623  1.00  0.00           H   new
ATOM      0  HE1 PHE A  17       0.508   0.494  -7.511  1.00  0.00           H   new
ATOM      0  HE2 PHE A  17      -2.518   2.863  -5.667  1.00  0.00           H   new
ATOM      0  HZ  PHE A  17      -1.684   1.610  -7.613  1.00  0.00           H   new
ATOM    243  N   VAL A  18      -0.197  -0.692  -1.975  1.00  0.00           N
ATOM    244  CA  VAL A  18      -1.221  -1.726  -2.119  1.00  0.00           C
ATOM    245  C   VAL A  18      -2.609  -1.116  -2.186  1.00  0.00           C
ATOM    246  O   VAL A  18      -2.796   0.051  -1.854  1.00  0.00           O
ATOM    247  CB  VAL A  18      -1.181  -2.744  -0.960  1.00  0.00           C
ATOM    248  CG1 VAL A  18       0.116  -3.528  -0.991  1.00  0.00           C
ATOM    249  CG2 VAL A  18      -1.372  -2.059   0.390  1.00  0.00           C
ATOM      0  H   VAL A  18      -0.288  -0.128  -1.130  1.00  0.00           H   new
ATOM      0  HA  VAL A  18      -1.003  -2.246  -3.052  1.00  0.00           H   new
ATOM      0  HB  VAL A  18      -2.010  -3.440  -1.093  1.00  0.00           H   new
ATOM      0 HG11 VAL A  18       0.129  -4.242  -0.167  1.00  0.00           H   new
ATOM      0 HG12 VAL A  18       0.195  -4.064  -1.937  1.00  0.00           H   new
ATOM      0 HG13 VAL A  18       0.958  -2.843  -0.891  1.00  0.00           H   new
ATOM      0 HG21 VAL A  18      -1.339  -2.805   1.184  1.00  0.00           H   new
ATOM      0 HG22 VAL A  18      -0.577  -1.329   0.543  1.00  0.00           H   new
ATOM      0 HG23 VAL A  18      -2.337  -1.553   0.408  1.00  0.00           H   new
ATOM    259  N   THR A  19      -3.580  -1.911  -2.609  1.00  0.00           N
ATOM    260  CA  THR A  19      -4.953  -1.436  -2.711  1.00  0.00           C
ATOM    261  C   THR A  19      -5.771  -1.858  -1.492  1.00  0.00           C
ATOM    262  O   THR A  19      -5.464  -2.850  -0.833  1.00  0.00           O
ATOM    263  CB  THR A  19      -5.590  -1.938  -4.008  1.00  0.00           C
ATOM    264  OG1 THR A  19      -4.854  -1.462  -5.123  1.00  0.00           O
ATOM    265  CG2 THR A  19      -7.028  -1.495  -4.195  1.00  0.00           C
ATOM      0  H   THR A  19      -3.445  -2.883  -2.886  1.00  0.00           H   new
ATOM      0  HA  THR A  19      -4.942  -0.346  -2.735  1.00  0.00           H   new
ATOM      0  HB  THR A  19      -5.575  -3.026  -3.938  1.00  0.00           H   new
ATOM      0  HG1 THR A  19      -4.826  -0.483  -5.103  1.00  0.00           H   new
ATOM      0 HG21 THR A  19      -7.411  -1.890  -5.136  1.00  0.00           H   new
ATOM      0 HG22 THR A  19      -7.634  -1.870  -3.371  1.00  0.00           H   new
ATOM      0 HG23 THR A  19      -7.074  -0.406  -4.213  1.00  0.00           H   new
ATOM    273  N   ILE A  20      -6.801  -1.074  -1.201  1.00  0.00           N
ATOM    274  CA  ILE A  20      -7.684  -1.309  -0.066  1.00  0.00           C
ATOM    275  C   ILE A  20      -9.089  -1.653  -0.550  1.00  0.00           C
ATOM    276  O   ILE A  20      -9.432  -1.412  -1.710  1.00  0.00           O
ATOM    277  CB  ILE A  20      -7.757  -0.054   0.837  1.00  0.00           C
ATOM    278  CG1 ILE A  20      -6.370   0.579   0.991  1.00  0.00           C
ATOM    279  CG2 ILE A  20      -8.327  -0.403   2.206  1.00  0.00           C
ATOM    280  CD1 ILE A  20      -6.364   1.825   1.851  1.00  0.00           C
ATOM      0  H   ILE A  20      -7.049  -0.251  -1.750  1.00  0.00           H   new
ATOM      0  HA  ILE A  20      -7.279  -2.143   0.507  1.00  0.00           H   new
ATOM      0  HB  ILE A  20      -8.421   0.666   0.359  1.00  0.00           H   new
ATOM      0 HG12 ILE A  20      -5.691  -0.155   1.425  1.00  0.00           H   new
ATOM      0 HG13 ILE A  20      -5.982   0.828   0.003  1.00  0.00           H   new
ATOM      0 HG21 ILE A  20      -8.368   0.495   2.823  1.00  0.00           H   new
ATOM      0 HG22 ILE A  20      -9.332  -0.810   2.089  1.00  0.00           H   new
ATOM      0 HG23 ILE A  20      -7.689  -1.144   2.687  1.00  0.00           H   new
ATOM      0 HD11 ILE A  20      -5.349   2.218   1.915  1.00  0.00           H   new
ATOM      0 HD12 ILE A  20      -7.017   2.577   1.407  1.00  0.00           H   new
ATOM      0 HD13 ILE A  20      -6.722   1.579   2.851  1.00  0.00           H   new
ATOM    292  N   GLY A  21      -9.898  -2.209   0.343  1.00  0.00           N
ATOM    293  CA  GLY A  21     -11.257  -2.574  -0.006  1.00  0.00           C
ATOM    294  C   GLY A  21     -11.834  -3.594   0.952  1.00  0.00           C
ATOM    295  O   GLY A  21     -11.212  -3.829   2.009  1.00  0.00           O
ATOM      0  H   GLY A  21      -9.635  -2.414   1.307  1.00  0.00           H   new
ATOM      0  HA2 GLY A  21     -11.883  -1.682  -0.006  1.00  0.00           H   new
ATOM      0  HA3 GLY A  21     -11.276  -2.977  -1.019  1.00  0.00           H   new