USER  MOD reduce.3.24.130724 H: found=0, std=0, add=130, rem=0, adj=3
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   34:sc=   0.888
USER  MOD Set 1.2: A  19 THR OG1 :   rot  -81:sc=    1.29
USER  MOD Single : A  10 GLN     :FLIP  amide:sc=   -2.36! C(o=-3.3!,f=-2.4!)
USER  MOD -----------------------------------------------------------------
ATOM     47  N   SER A   6      -5.789   3.266  -2.215  1.00  0.00           N
ATOM     48  CA  SER A   6      -4.512   2.581  -2.350  1.00  0.00           C
ATOM     49  C   SER A   6      -3.429   3.350  -1.601  1.00  0.00           C
ATOM     50  O   SER A   6      -3.336   4.572  -1.727  1.00  0.00           O
ATOM     51  CB  SER A   6      -4.152   2.407  -3.823  1.00  0.00           C
ATOM     52  OG  SER A   6      -5.225   1.807  -4.534  1.00  0.00           O
ATOM      0  HA  SER A   6      -4.591   1.587  -1.910  1.00  0.00           H   new
ATOM      0  HB2 SER A   6      -3.915   3.376  -4.262  1.00  0.00           H   new
ATOM      0  HB3 SER A   6      -3.258   1.789  -3.914  1.00  0.00           H   new
ATOM      0  HG  SER A   6      -6.077   2.106  -4.154  1.00  0.00           H   new
ATOM     58  N   ILE A   7      -2.627   2.645  -0.805  1.00  0.00           N
ATOM     59  CA  ILE A   7      -1.574   3.295  -0.026  1.00  0.00           C
ATOM     60  C   ILE A   7      -0.223   2.621  -0.147  1.00  0.00           C
ATOM     61  O   ILE A   7      -0.128   1.398  -0.229  1.00  0.00           O
ATOM     62  CB  ILE A   7      -1.912   3.335   1.479  1.00  0.00           C
ATOM     63  CG1 ILE A   7      -2.549   2.015   1.925  1.00  0.00           C
ATOM     64  CG2 ILE A   7      -2.801   4.513   1.821  1.00  0.00           C
ATOM     65  CD1 ILE A   7      -2.814   1.945   3.414  1.00  0.00           C
ATOM      0  H   ILE A   7      -2.684   1.634  -0.683  1.00  0.00           H   new
ATOM      0  HA  ILE A   7      -1.519   4.299  -0.448  1.00  0.00           H   new
ATOM      0  HB  ILE A   7      -0.978   3.466   2.025  1.00  0.00           H   new
ATOM      0 HG12 ILE A   7      -3.488   1.875   1.390  1.00  0.00           H   new
ATOM      0 HG13 ILE A   7      -1.895   1.191   1.641  1.00  0.00           H   new
ATOM      0 HG21 ILE A   7      -3.017   4.507   2.889  1.00  0.00           H   new
ATOM      0 HG22 ILE A   7      -2.293   5.441   1.559  1.00  0.00           H   new
ATOM      0 HG23 ILE A   7      -3.734   4.440   1.262  1.00  0.00           H   new
ATOM      0 HD11 ILE A   7      -3.265   0.983   3.658  1.00  0.00           H   new
ATOM      0 HD12 ILE A   7      -1.875   2.053   3.956  1.00  0.00           H   new
ATOM      0 HD13 ILE A   7      -3.493   2.748   3.701  1.00  0.00           H   new
ATOM     77  N   ARG A   8       0.823   3.440  -0.065  1.00  0.00           N
ATOM     78  CA  ARG A   8       2.189   2.950  -0.076  1.00  0.00           C
ATOM     79  C   ARG A   8       2.553   2.618   1.359  1.00  0.00           C
ATOM     80  O   ARG A   8       2.843   3.517   2.150  1.00  0.00           O
ATOM     81  CB  ARG A   8       3.162   4.001  -0.630  1.00  0.00           C
ATOM     82  CG  ARG A   8       2.800   4.547  -2.007  1.00  0.00           C
ATOM     83  CD  ARG A   8       1.618   5.507  -1.951  1.00  0.00           C
ATOM     84  NE  ARG A   8       1.411   6.195  -3.223  1.00  0.00           N
ATOM     85  CZ  ARG A   8       0.776   7.360  -3.341  1.00  0.00           C
ATOM     86  NH1 ARG A   8       0.295   7.972  -2.265  1.00  0.00           N
ATOM     87  NH2 ARG A   8       0.626   7.917  -4.535  1.00  0.00           N
ATOM      0  H   ARG A   8       0.743   4.454   0.010  1.00  0.00           H   new
ATOM      0  HA  ARG A   8       2.263   2.075  -0.722  1.00  0.00           H   new
ATOM      0  HB2 ARG A   8       3.214   4.833   0.073  1.00  0.00           H   new
ATOM      0  HB3 ARG A   8       4.159   3.562  -0.679  1.00  0.00           H   new
ATOM      0  HG2 ARG A   8       3.663   5.060  -2.431  1.00  0.00           H   new
ATOM      0  HG3 ARG A   8       2.562   3.718  -2.674  1.00  0.00           H   new
ATOM      0  HD2 ARG A   8       0.716   4.956  -1.686  1.00  0.00           H   new
ATOM      0  HD3 ARG A   8       1.785   6.242  -1.164  1.00  0.00           H   new
ATOM      0  HE  ARG A   8       1.774   5.758  -4.070  1.00  0.00           H   new
ATOM      0 HH11 ARG A   8       0.411   7.550  -1.344  1.00  0.00           H   new
ATOM      0 HH12 ARG A   8      -0.191   8.864  -2.360  1.00  0.00           H   new
ATOM      0 HH21 ARG A   8       0.997   7.453  -5.364  1.00  0.00           H   new
ATOM      0 HH22 ARG A   8       0.140   8.809  -4.624  1.00  0.00           H   new
ATOM    101  N   ILE A   9       2.489   1.344   1.719  1.00  0.00           N
ATOM    102  CA  ILE A   9       2.769   0.955   3.090  1.00  0.00           C
ATOM    103  C   ILE A   9       4.274   0.938   3.356  1.00  0.00           C
ATOM    104  O   ILE A   9       5.065   0.568   2.488  1.00  0.00           O
ATOM    105  CB  ILE A   9       2.159  -0.426   3.448  1.00  0.00           C
ATOM    106  CG1 ILE A   9       3.031  -1.591   2.952  1.00  0.00           C
ATOM    107  CG2 ILE A   9       0.755  -0.545   2.873  1.00  0.00           C
ATOM    108  CD1 ILE A   9       3.117  -1.709   1.447  1.00  0.00           C
ATOM      0  H   ILE A   9       2.250   0.576   1.092  1.00  0.00           H   new
ATOM      0  HA  ILE A   9       2.298   1.703   3.727  1.00  0.00           H   new
ATOM      0  HB  ILE A   9       2.115  -0.489   4.535  1.00  0.00           H   new
ATOM      0 HG12 ILE A   9       4.037  -1.472   3.353  1.00  0.00           H   new
ATOM      0 HG13 ILE A   9       2.635  -2.523   3.355  1.00  0.00           H   new
ATOM      0 HG21 ILE A   9       0.338  -1.518   3.131  1.00  0.00           H   new
ATOM      0 HG22 ILE A   9       0.124   0.242   3.287  1.00  0.00           H   new
ATOM      0 HG23 ILE A   9       0.796  -0.444   1.789  1.00  0.00           H   new
ATOM      0 HD11 ILE A   9       3.751  -2.556   1.184  1.00  0.00           H   new
ATOM      0 HD12 ILE A   9       2.119  -1.862   1.036  1.00  0.00           H   new
ATOM      0 HD13 ILE A   9       3.543  -0.795   1.034  1.00  0.00           H   new
ATOM    120  N   GLN A  10       4.661   1.345   4.560  1.00  0.00           N
ATOM    121  CA  GLN A  10       6.071   1.385   4.946  1.00  0.00           C
ATOM    122  C   GLN A  10       6.540   0.033   5.478  1.00  0.00           C
ATOM    123  O   GLN A  10       7.621  -0.076   6.057  1.00  0.00           O
ATOM    124  CB  GLN A  10       6.318   2.486   5.988  1.00  0.00           C
ATOM    125  CG  GLN A  10       5.503   2.346   7.271  1.00  0.00           C
ATOM    126  CD  GLN A  10       5.905   1.141   8.102  1.00  0.00           C
ATOM    127  OE1 GLN A  10       5.167   0.048   7.965  1.00  0.00           O   flip
ATOM    128  NE2 GLN A  10       6.868   1.194   8.863  1.00  0.00           N   flip
ATOM      0  H   GLN A  10       4.018   1.653   5.289  1.00  0.00           H   new
ATOM      0  HA  GLN A  10       6.652   1.615   4.053  1.00  0.00           H   new
ATOM      0  HB2 GLN A  10       7.377   2.492   6.246  1.00  0.00           H   new
ATOM      0  HB3 GLN A  10       6.094   3.452   5.535  1.00  0.00           H   new
ATOM      0  HG2 GLN A  10       5.621   3.249   7.870  1.00  0.00           H   new
ATOM      0  HG3 GLN A  10       4.446   2.268   7.017  1.00  0.00           H   new
ATOM      0 HE21 GLN A  10       7.411   2.054   8.940  1.00  0.00           H   new
ATOM      0 HE22 GLN A  10       7.125   0.378   9.418  1.00  0.00           H   new
ATOM    137  N   ARG A  11       5.718  -0.992   5.284  1.00  0.00           N
ATOM    138  CA  ARG A  11       6.046  -2.333   5.751  1.00  0.00           C
ATOM    139  C   ARG A  11       6.628  -3.175   4.621  1.00  0.00           C
ATOM    140  O   ARG A  11       6.418  -2.884   3.444  1.00  0.00           O
ATOM    141  CB  ARG A  11       4.795  -3.017   6.310  1.00  0.00           C
ATOM    142  CG  ARG A  11       5.048  -4.410   6.871  1.00  0.00           C
ATOM    143  CD  ARG A  11       3.761  -5.056   7.360  1.00  0.00           C
ATOM    144  NE  ARG A  11       4.000  -6.375   7.941  1.00  0.00           N
ATOM    145  CZ  ARG A  11       3.037  -7.164   8.412  1.00  0.00           C
ATOM    146  NH1 ARG A  11       1.770  -6.773   8.371  1.00  0.00           N
ATOM    147  NH2 ARG A  11       3.342  -8.349   8.924  1.00  0.00           N
ATOM      0  H   ARG A  11       4.820  -0.920   4.806  1.00  0.00           H   new
ATOM      0  HA  ARG A  11       6.793  -2.244   6.539  1.00  0.00           H   new
ATOM      0  HB2 ARG A  11       4.372  -2.391   7.096  1.00  0.00           H   new
ATOM      0  HB3 ARG A  11       4.047  -3.085   5.520  1.00  0.00           H   new
ATOM      0  HG2 ARG A  11       5.501  -5.036   6.103  1.00  0.00           H   new
ATOM      0  HG3 ARG A  11       5.761  -4.348   7.693  1.00  0.00           H   new
ATOM      0  HD2 ARG A  11       3.291  -4.412   8.103  1.00  0.00           H   new
ATOM      0  HD3 ARG A  11       3.062  -5.147   6.529  1.00  0.00           H   new
ATOM      0  HE  ARG A  11       4.962  -6.711   7.989  1.00  0.00           H   new
ATOM      0 HH11 ARG A  11       1.529  -5.863   7.977  1.00  0.00           H   new
ATOM      0 HH12 ARG A  11       1.036  -7.382   8.733  1.00  0.00           H   new
ATOM      0 HH21 ARG A  11       4.314  -8.655   8.957  1.00  0.00           H   new
ATOM      0 HH22 ARG A  11       2.604  -8.954   9.285  1.00  0.00           H   new
ATOM    161  N   GLY A  12       7.354  -4.222   4.996  1.00  0.00           N
ATOM    162  CA  GLY A  12       7.961  -5.107   4.018  1.00  0.00           C
ATOM    163  C   GLY A  12       7.155  -6.375   3.812  1.00  0.00           C
ATOM    164  O   GLY A  12       6.033  -6.486   4.305  1.00  0.00           O
ATOM      0  H   GLY A  12       7.534  -4.475   5.967  1.00  0.00           H   new
ATOM      0  HA2 GLY A  12       8.058  -4.582   3.067  1.00  0.00           H   new
ATOM      0  HA3 GLY A  12       8.968  -5.368   4.343  1.00  0.00           H   new
ATOM    168  N   PRO A  13       7.705  -7.357   3.080  1.00  0.00           N
ATOM    169  CA  PRO A  13       9.035  -7.257   2.481  1.00  0.00           C
ATOM    170  C   PRO A  13       9.022  -6.521   1.143  1.00  0.00           C
ATOM    171  O   PRO A  13       8.422  -6.985   0.174  1.00  0.00           O
ATOM    172  CB  PRO A  13       9.426  -8.719   2.289  1.00  0.00           C
ATOM    173  CG  PRO A  13       8.134  -9.428   2.045  1.00  0.00           C
ATOM    174  CD  PRO A  13       7.066  -8.652   2.781  1.00  0.00           C
ATOM      0  HA  PRO A  13       9.727  -6.687   3.101  1.00  0.00           H   new
ATOM      0  HB2 PRO A  13      10.109  -8.839   1.448  1.00  0.00           H   new
ATOM      0  HB3 PRO A  13       9.933  -9.112   3.170  1.00  0.00           H   new
ATOM      0  HG2 PRO A  13       7.913  -9.474   0.979  1.00  0.00           H   new
ATOM      0  HG3 PRO A  13       8.183 -10.456   2.405  1.00  0.00           H   new
ATOM      0  HD2 PRO A  13       6.173  -8.524   2.169  1.00  0.00           H   new
ATOM      0  HD3 PRO A  13       6.757  -9.164   3.692  1.00  0.00           H   new
ATOM    182  N   GLY A  14       9.694  -5.373   1.098  1.00  0.00           N
ATOM    183  CA  GLY A  14       9.753  -4.593  -0.125  1.00  0.00           C
ATOM    184  C   GLY A  14       8.764  -3.445  -0.130  1.00  0.00           C
ATOM    185  O   GLY A  14       7.555  -3.661  -0.081  1.00  0.00           O
ATOM      0  H   GLY A  14      10.199  -4.970   1.887  1.00  0.00           H   new
ATOM      0  HA2 GLY A  14      10.762  -4.200  -0.253  1.00  0.00           H   new
ATOM      0  HA3 GLY A  14       9.554  -5.243  -0.977  1.00  0.00           H   new
ATOM    189  N   ARG A  15       9.280  -2.221  -0.195  1.00  0.00           N
ATOM    190  CA  ARG A  15       8.430  -1.035  -0.213  1.00  0.00           C
ATOM    191  C   ARG A  15       7.482  -1.060  -1.410  1.00  0.00           C
ATOM    192  O   ARG A  15       7.913  -1.123  -2.561  1.00  0.00           O
ATOM    193  CB  ARG A  15       9.276   0.249  -0.210  1.00  0.00           C
ATOM    194  CG  ARG A  15      10.672   0.077  -0.793  1.00  0.00           C
ATOM    195  CD  ARG A  15      10.625  -0.517  -2.188  1.00  0.00           C
ATOM    196  NE  ARG A  15      10.085   0.423  -3.169  1.00  0.00           N
ATOM    197  CZ  ARG A  15      10.180   0.252  -4.484  1.00  0.00           C
ATOM    198  NH1 ARG A  15      10.788  -0.819  -4.977  1.00  0.00           N
ATOM    199  NH2 ARG A  15       9.667   1.155  -5.310  1.00  0.00           N
ATOM      0  H   ARG A  15      10.280  -2.025  -0.236  1.00  0.00           H   new
ATOM      0  HA  ARG A  15       7.826  -1.042   0.695  1.00  0.00           H   new
ATOM      0  HB2 ARG A  15       8.750   1.019  -0.775  1.00  0.00           H   new
ATOM      0  HB3 ARG A  15       9.364   0.610   0.815  1.00  0.00           H   new
ATOM      0  HG2 ARG A  15      11.175   1.043  -0.825  1.00  0.00           H   new
ATOM      0  HG3 ARG A  15      11.262  -0.568  -0.142  1.00  0.00           H   new
ATOM      0  HD2 ARG A  15      11.629  -0.816  -2.488  1.00  0.00           H   new
ATOM      0  HD3 ARG A  15      10.014  -1.419  -2.177  1.00  0.00           H   new
ATOM      0  HE  ARG A  15       9.609   1.257  -2.825  1.00  0.00           H   new
ATOM      0 HH11 ARG A  15      11.185  -1.516  -4.346  1.00  0.00           H   new
ATOM      0 HH12 ARG A  15      10.858  -0.946  -5.987  1.00  0.00           H   new
ATOM      0 HH21 ARG A  15       9.199   1.981  -4.936  1.00  0.00           H   new
ATOM      0 HH22 ARG A  15       9.740   1.023  -6.319  1.00  0.00           H   new
ATOM    213  N   ALA A  16       6.186  -1.019  -1.126  1.00  0.00           N
ATOM    214  CA  ALA A  16       5.165  -1.047  -2.166  1.00  0.00           C
ATOM    215  C   ALA A  16       3.889  -0.400  -1.671  1.00  0.00           C
ATOM    216  O   ALA A  16       3.868   0.236  -0.617  1.00  0.00           O
ATOM    217  CB  ALA A  16       4.899  -2.480  -2.606  1.00  0.00           C
ATOM      0  H   ALA A  16       5.815  -0.966  -0.177  1.00  0.00           H   new
ATOM      0  HA  ALA A  16       5.527  -0.482  -3.025  1.00  0.00           H   new
ATOM      0  HB1 ALA A  16       4.135  -2.486  -3.383  1.00  0.00           H   new
ATOM      0  HB2 ALA A  16       5.818  -2.917  -2.997  1.00  0.00           H   new
ATOM      0  HB3 ALA A  16       4.554  -3.064  -1.753  1.00  0.00           H   new
ATOM    223  N   PHE A  17       2.827  -0.565  -2.434  1.00  0.00           N
ATOM    224  CA  PHE A  17       1.538   0.001  -2.064  1.00  0.00           C
ATOM    225  C   PHE A  17       0.421  -1.010  -2.294  1.00  0.00           C
ATOM    226  O   PHE A  17       0.478  -1.813  -3.225  1.00  0.00           O
ATOM    227  CB  PHE A  17       1.278   1.305  -2.833  1.00  0.00           C
ATOM    228  CG  PHE A  17       0.491   1.151  -4.101  1.00  0.00           C
ATOM    229  CD1 PHE A  17       0.896   0.270  -5.090  1.00  0.00           C
ATOM    230  CD2 PHE A  17      -0.655   1.906  -4.308  1.00  0.00           C
ATOM    231  CE1 PHE A  17       0.175   0.141  -6.261  1.00  0.00           C
ATOM    232  CE2 PHE A  17      -1.381   1.779  -5.478  1.00  0.00           C
ATOM    233  CZ  PHE A  17      -0.964   0.896  -6.455  1.00  0.00           C
ATOM      0  H   PHE A  17       2.827  -1.084  -3.312  1.00  0.00           H   new
ATOM      0  HA  PHE A  17       1.558   0.240  -1.001  1.00  0.00           H   new
ATOM      0  HB2 PHE A  17       0.749   1.996  -2.177  1.00  0.00           H   new
ATOM      0  HB3 PHE A  17       2.237   1.764  -3.073  1.00  0.00           H   new
ATOM      0  HD1 PHE A  17       1.786  -0.323  -4.944  1.00  0.00           H   new
ATOM      0  HD2 PHE A  17      -0.983   2.600  -3.548  1.00  0.00           H   new
ATOM      0  HE1 PHE A  17       0.502  -0.550  -7.024  1.00  0.00           H   new
ATOM      0  HE2 PHE A  17      -2.273   2.369  -5.628  1.00  0.00           H   new
ATOM      0  HZ  PHE A  17      -1.529   0.796  -7.370  1.00  0.00           H   new
ATOM    243  N   VAL A  18      -0.586  -0.967  -1.430  1.00  0.00           N
ATOM    244  CA  VAL A  18      -1.719  -1.877  -1.523  1.00  0.00           C
ATOM    245  C   VAL A  18      -2.979  -1.110  -1.893  1.00  0.00           C
ATOM    246  O   VAL A  18      -3.043   0.108  -1.723  1.00  0.00           O
ATOM    247  CB  VAL A  18      -1.960  -2.618  -0.191  1.00  0.00           C
ATOM    248  CG1 VAL A  18      -2.858  -3.832  -0.395  1.00  0.00           C
ATOM    249  CG2 VAL A  18      -0.639  -3.020   0.450  1.00  0.00           C
ATOM      0  H   VAL A  18      -0.640  -0.308  -0.654  1.00  0.00           H   new
ATOM      0  HA  VAL A  18      -1.486  -2.610  -2.295  1.00  0.00           H   new
ATOM      0  HB  VAL A  18      -2.471  -1.935   0.487  1.00  0.00           H   new
ATOM      0 HG11 VAL A  18      -3.011  -4.336   0.559  1.00  0.00           H   new
ATOM      0 HG12 VAL A  18      -3.820  -3.510  -0.794  1.00  0.00           H   new
ATOM      0 HG13 VAL A  18      -2.386  -4.520  -1.096  1.00  0.00           H   new
ATOM      0 HG21 VAL A  18      -0.833  -3.541   1.388  1.00  0.00           H   new
ATOM      0 HG22 VAL A  18      -0.093  -3.679  -0.225  1.00  0.00           H   new
ATOM      0 HG23 VAL A  18      -0.044  -2.128   0.647  1.00  0.00           H   new
ATOM    259  N   THR A  19      -3.975  -1.828  -2.387  1.00  0.00           N
ATOM    260  CA  THR A  19      -5.238  -1.220  -2.778  1.00  0.00           C
ATOM    261  C   THR A  19      -6.400  -1.804  -1.980  1.00  0.00           C
ATOM    262  O   THR A  19      -6.749  -2.974  -2.138  1.00  0.00           O
ATOM    263  CB  THR A  19      -5.484  -1.413  -4.274  1.00  0.00           C
ATOM    264  OG1 THR A  19      -4.506  -0.725  -5.035  1.00  0.00           O
ATOM    265  CG2 THR A  19      -6.844  -0.923  -4.725  1.00  0.00           C
ATOM      0  H   THR A  19      -3.933  -2.837  -2.527  1.00  0.00           H   new
ATOM      0  HA  THR A  19      -5.175  -0.153  -2.563  1.00  0.00           H   new
ATOM      0  HB  THR A  19      -5.430  -2.489  -4.440  1.00  0.00           H   new
ATOM      0  HG1 THR A  19      -4.745   0.224  -5.094  1.00  0.00           H   new
ATOM      0 HG21 THR A  19      -6.954  -1.090  -5.797  1.00  0.00           H   new
ATOM      0 HG22 THR A  19      -7.623  -1.468  -4.191  1.00  0.00           H   new
ATOM      0 HG23 THR A  19      -6.936   0.142  -4.512  1.00  0.00           H   new
ATOM    273  N   ILE A  20      -7.000  -0.973  -1.141  1.00  0.00           N
ATOM    274  CA  ILE A  20      -8.126  -1.355  -0.328  1.00  0.00           C
ATOM    275  C   ILE A  20      -9.384  -0.647  -0.814  1.00  0.00           C
ATOM    276  O   ILE A  20      -9.344   0.116  -1.782  1.00  0.00           O
ATOM    277  CB  ILE A  20      -7.880  -1.004   1.147  1.00  0.00           C
ATOM    278  CG1 ILE A  20      -7.228   0.375   1.274  1.00  0.00           C
ATOM    279  CG2 ILE A  20      -7.029  -2.073   1.819  1.00  0.00           C
ATOM    280  CD1 ILE A  20      -5.729   0.376   1.044  1.00  0.00           C
ATOM      0  H   ILE A  20      -6.709  -0.004  -1.010  1.00  0.00           H   new
ATOM      0  HA  ILE A  20      -8.257  -2.434  -0.414  1.00  0.00           H   new
ATOM      0  HB  ILE A  20      -8.843  -0.969   1.656  1.00  0.00           H   new
ATOM      0 HG12 ILE A  20      -7.695   1.053   0.559  1.00  0.00           H   new
ATOM      0 HG13 ILE A  20      -7.432   0.771   2.269  1.00  0.00           H   new
ATOM      0 HG21 ILE A  20      -6.866  -1.805   2.863  1.00  0.00           H   new
ATOM      0 HG22 ILE A  20      -7.542  -3.033   1.766  1.00  0.00           H   new
ATOM      0 HG23 ILE A  20      -6.068  -2.147   1.309  1.00  0.00           H   new
ATOM      0 HD11 ILE A  20      -5.345   1.390   1.152  1.00  0.00           H   new
ATOM      0 HD12 ILE A  20      -5.248  -0.274   1.775  1.00  0.00           H   new
ATOM      0 HD13 ILE A  20      -5.515   0.012   0.039  1.00  0.00           H   new
ATOM    292  N   GLY A  21     -10.495  -0.902  -0.142  1.00  0.00           N
ATOM    293  CA  GLY A  21     -11.748  -0.274  -0.519  1.00  0.00           C
ATOM    294  C   GLY A  21     -11.625   1.233  -0.630  1.00  0.00           C
ATOM    295  O   GLY A  21     -12.246   1.818  -1.541  1.00  0.00           O
ATOM      0  H   GLY A  21     -10.554  -1.532   0.658  1.00  0.00           H   new
ATOM      0  HA2 GLY A  21     -12.083  -0.680  -1.473  1.00  0.00           H   new
ATOM      0  HA3 GLY A  21     -12.512  -0.521   0.218  1.00  0.00           H   new