USER  MOD reduce.3.24.130724 H: found=0, std=0, add=139, rem=0, adj=1
USER  MOD reduce.3.24.130724 removed 140 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   5 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A   9 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  10 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  12 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  13 ASN     :      amide:sc=       0  X(o=0,f=0)
USER  MOD Single : A  17 SER OG  :   rot  180:sc=       0
USER  MOD -----------------------------------------------------------------
ATOM     58  N   LYS A   5      -1.718  -1.786  -3.968  1.00 34.42           N
ATOM     59  CA  LYS A   5      -1.930  -1.868  -5.408  1.00 40.12           C
ATOM     60  C   LYS A   5      -2.479  -3.236  -5.801  1.00  2.21           C
ATOM     61  O   LYS A   5      -3.280  -3.351  -6.730  1.00 25.52           O
ATOM     62  CB  LYS A   5      -0.620  -1.599  -6.153  1.00 33.13           C
ATOM     63  CG  LYS A   5       0.498  -2.558  -5.783  1.00 32.25           C
ATOM     64  CD  LYS A   5       0.450  -3.822  -6.625  1.00  1.02           C
ATOM     65  CE  LYS A   5       1.798  -4.115  -7.266  1.00 73.43           C
ATOM     66  NZ  LYS A   5       2.072  -3.212  -8.418  1.00  3.13           N
ATOM      0  HA  LYS A   5      -2.662  -1.109  -5.686  1.00 40.12           H   new
ATOM      0  HB2 LYS A   5      -0.802  -1.663  -7.226  1.00 33.13           H   new
ATOM      0  HB3 LYS A   5      -0.296  -0.579  -5.945  1.00 33.13           H   new
ATOM      0  HG2 LYS A   5       1.461  -2.066  -5.919  1.00 32.25           H   new
ATOM      0  HG3 LYS A   5       0.420  -2.820  -4.728  1.00 32.25           H   new
ATOM      0  HD2 LYS A   5       0.151  -4.665  -6.002  1.00  1.02           H   new
ATOM      0  HD3 LYS A   5      -0.308  -3.715  -7.401  1.00  1.02           H   new
ATOM      0  HE2 LYS A   5       2.586  -4.003  -6.521  1.00 73.43           H   new
ATOM      0  HE3 LYS A   5       1.822  -5.151  -7.603  1.00 73.43           H   new
ATOM      0  HZ1 LYS A   5       3.000  -3.443  -8.827  1.00  3.13           H   new
ATOM      0  HZ2 LYS A   5       1.334  -3.337  -9.140  1.00  3.13           H   new
ATOM      0  HZ3 LYS A   5       2.074  -2.224  -8.092  1.00  3.13           H   new
ATOM     80  N   LEU A   6      -2.045  -4.269  -5.088  1.00 22.22           N
ATOM     81  CA  LEU A   6      -2.494  -5.630  -5.361  1.00 11.10           C
ATOM     82  C   LEU A   6      -3.935  -5.830  -4.902  1.00 22.24           C
ATOM     83  O   LEU A   6      -4.612  -6.761  -5.336  1.00 64.44           O
ATOM     84  CB  LEU A   6      -1.580  -6.639  -4.665  1.00 22.43           C
ATOM     85  CG  LEU A   6      -2.162  -8.037  -4.451  1.00 54.03           C
ATOM     86  CD1 LEU A   6      -2.473  -8.695  -5.787  1.00 21.45           C
ATOM     87  CD2 LEU A   6      -1.203  -8.897  -3.641  1.00 12.40           C
ATOM      0  H   LEU A   6      -1.383  -4.190  -4.316  1.00 22.22           H   new
ATOM      0  HA  LEU A   6      -2.449  -5.792  -6.438  1.00 11.10           H   new
ATOM      0  HB2 LEU A   6      -0.665  -6.734  -5.250  1.00 22.43           H   new
ATOM      0  HB3 LEU A   6      -1.297  -6.233  -3.694  1.00 22.43           H   new
ATOM      0  HG  LEU A   6      -3.092  -7.941  -3.891  1.00 54.03           H   new
ATOM      0 HD11 LEU A   6      -2.886  -9.689  -5.616  1.00 21.45           H   new
ATOM      0 HD12 LEU A   6      -3.198  -8.089  -6.331  1.00 21.45           H   new
ATOM      0 HD13 LEU A   6      -1.558  -8.779  -6.373  1.00 21.45           H   new
ATOM      0 HD21 LEU A   6      -1.634  -9.888  -3.499  1.00 12.40           H   new
ATOM      0 HD22 LEU A   6      -0.256  -8.986  -4.173  1.00 12.40           H   new
ATOM      0 HD23 LEU A   6      -1.031  -8.434  -2.670  1.00 12.40           H   new
ATOM     99  N   ALA A   7      -4.398  -4.948  -4.022  1.00 22.54           N
ATOM    100  CA  ALA A   7      -5.759  -5.026  -3.507  1.00 12.13           C
ATOM    101  C   ALA A   7      -6.775  -5.066  -4.644  1.00 23.14           C
ATOM    102  O   ALA A   7      -7.831  -5.685  -4.524  1.00 13.34           O
ATOM    103  CB  ALA A   7      -6.043  -3.849  -2.585  1.00 25.12           C
ATOM      0  H   ALA A   7      -3.850  -4.171  -3.651  1.00 22.54           H   new
ATOM      0  HA  ALA A   7      -5.853  -5.951  -2.938  1.00 12.13           H   new
ATOM      0  HB1 ALA A   7      -7.063  -3.920  -2.208  1.00 25.12           H   new
ATOM      0  HB2 ALA A   7      -5.345  -3.866  -1.748  1.00 25.12           H   new
ATOM      0  HB3 ALA A   7      -5.925  -2.917  -3.138  1.00 25.12           H   new
ATOM    109  N   GLY A   8      -6.447  -4.401  -5.748  1.00 31.34           N
ATOM    110  CA  GLY A   8      -7.342  -4.373  -6.890  1.00 21.42           C
ATOM    111  C   GLY A   8      -7.552  -5.747  -7.496  1.00  5.03           C
ATOM    112  O   GLY A   8      -8.532  -5.979  -8.203  1.00 33.22           O
ATOM      0  H   GLY A   8      -5.578  -3.882  -5.872  1.00 31.34           H   new
ATOM      0  HA2 GLY A   8      -8.305  -3.964  -6.583  1.00 21.42           H   new
ATOM      0  HA3 GLY A   8      -6.937  -3.703  -7.648  1.00 21.42           H   new
ATOM    116  N   LYS A   9      -6.627  -6.661  -7.220  1.00 50.33           N
ATOM    117  CA  LYS A   9      -6.714  -8.019  -7.743  1.00 65.11           C
ATOM    118  C   LYS A   9      -7.635  -8.876  -6.881  1.00 71.11           C
ATOM    119  O   LYS A   9      -8.652  -9.383  -7.355  1.00 62.43           O
ATOM    120  CB  LYS A   9      -5.322  -8.653  -7.807  1.00  0.34           C
ATOM    121  CG  LYS A   9      -5.344 -10.138  -8.123  1.00 61.10           C
ATOM    122  CD  LYS A   9      -6.268 -10.446  -9.289  1.00 62.23           C
ATOM    123  CE  LYS A   9      -6.198 -11.914  -9.683  1.00 12.20           C
ATOM    124  NZ  LYS A   9      -7.532 -12.446 -10.077  1.00 61.11           N
ATOM      0  H   LYS A   9      -5.809  -6.485  -6.637  1.00 50.33           H   new
ATOM      0  HA  LYS A   9      -7.130  -7.968  -8.749  1.00 65.11           H   new
ATOM      0  HB2 LYS A   9      -4.732  -8.138  -8.565  1.00  0.34           H   new
ATOM      0  HB3 LYS A   9      -4.818  -8.501  -6.852  1.00  0.34           H   new
ATOM      0  HG2 LYS A   9      -4.335 -10.476  -8.358  1.00 61.10           H   new
ATOM      0  HG3 LYS A   9      -5.669 -10.693  -7.243  1.00 61.10           H   new
ATOM      0  HD2 LYS A   9      -7.293 -10.189  -9.020  1.00 62.23           H   new
ATOM      0  HD3 LYS A   9      -5.997  -9.826 -10.143  1.00 62.23           H   new
ATOM      0  HE2 LYS A   9      -5.500 -12.035 -10.511  1.00 12.20           H   new
ATOM      0  HE3 LYS A   9      -5.807 -12.496  -8.848  1.00 12.20           H   new
ATOM      0  HZ1 LYS A   9      -7.442 -13.449 -10.338  1.00 61.11           H   new
ATOM      0  HZ2 LYS A   9      -8.192 -12.354  -9.279  1.00 61.11           H   new
ATOM      0  HZ3 LYS A   9      -7.894 -11.907 -10.890  1.00 61.11           H   new
ATOM    138  N   LYS A  10      -7.274  -9.033  -5.612  1.00 50.20           N
ATOM    139  CA  LYS A  10      -8.069  -9.826  -4.682  1.00 53.12           C
ATOM    140  C   LYS A  10      -9.543  -9.438  -4.758  1.00 65.01           C
ATOM    141  O   LYS A  10     -10.416 -10.299  -4.868  1.00 64.32           O
ATOM    142  CB  LYS A  10      -7.555  -9.641  -3.253  1.00 12.33           C
ATOM    143  CG  LYS A  10      -8.249 -10.532  -2.237  1.00  4.33           C
ATOM    144  CD  LYS A  10      -9.650 -10.034  -1.923  1.00 24.11           C
ATOM    145  CE  LYS A  10     -10.076 -10.420  -0.515  1.00 22.13           C
ATOM    146  NZ  LYS A  10     -10.042  -9.256   0.414  1.00 70.33           N
ATOM      0  H   LYS A  10      -6.435  -8.621  -5.204  1.00 50.20           H   new
ATOM      0  HA  LYS A  10      -7.972 -10.875  -4.963  1.00 53.12           H   new
ATOM      0  HB2 LYS A  10      -6.484  -9.845  -3.232  1.00 12.33           H   new
ATOM      0  HB3 LYS A  10      -7.687  -8.599  -2.960  1.00 12.33           H   new
ATOM      0  HG2 LYS A  10      -8.302 -11.551  -2.621  1.00  4.33           H   new
ATOM      0  HG3 LYS A  10      -7.660 -10.567  -1.320  1.00  4.33           H   new
ATOM      0  HD2 LYS A  10      -9.685  -8.950  -2.030  1.00 24.11           H   new
ATOM      0  HD3 LYS A  10     -10.355 -10.448  -2.644  1.00 24.11           H   new
ATOM      0  HE2 LYS A  10     -11.084 -10.834  -0.541  1.00 22.13           H   new
ATOM      0  HE3 LYS A  10      -9.419 -11.204  -0.139  1.00 22.13           H   new
ATOM      0  HZ1 LYS A  10     -10.339  -9.560   1.363  1.00 70.33           H   new
ATOM      0  HZ2 LYS A  10      -9.075  -8.876   0.459  1.00 70.33           H   new
ATOM      0  HZ3 LYS A  10     -10.688  -8.518   0.069  1.00 70.33           H   new
ATOM    160  N   ILE A  11      -9.811  -8.138  -4.700  1.00 31.00           N
ATOM    161  CA  ILE A  11     -11.178  -7.637  -4.765  1.00 34.31           C
ATOM    162  C   ILE A  11     -11.887  -8.135  -6.020  1.00 71.10           C
ATOM    163  O   ILE A  11     -13.085  -8.419  -5.999  1.00 61.41           O
ATOM    164  CB  ILE A  11     -11.216  -6.098  -4.744  1.00 42.23           C
ATOM    165  CG1 ILE A  11     -10.516  -5.532  -5.982  1.00 24.34           C
ATOM    166  CG2 ILE A  11     -10.567  -5.569  -3.474  1.00 21.32           C
ATOM    167  CD1 ILE A  11     -11.461  -5.218  -7.120  1.00 62.21           C
ATOM      0  H   ILE A  11      -9.100  -7.413  -4.608  1.00 31.00           H   new
ATOM      0  HA  ILE A  11     -11.695  -8.017  -3.884  1.00 34.31           H   new
ATOM      0  HB  ILE A  11     -12.257  -5.775  -4.758  1.00 42.23           H   new
ATOM      0 HG12 ILE A  11      -9.981  -4.624  -5.704  1.00 24.34           H   new
ATOM      0 HG13 ILE A  11      -9.770  -6.248  -6.327  1.00 24.34           H   new
ATOM      0 HG21 ILE A  11     -10.602  -4.480  -3.474  1.00 21.32           H   new
ATOM      0 HG22 ILE A  11     -11.104  -5.949  -2.605  1.00 21.32           H   new
ATOM      0 HG23 ILE A  11      -9.529  -5.899  -3.431  1.00 21.32           H   new
ATOM      0 HD11 ILE A  11     -10.896  -4.821  -7.963  1.00 62.21           H   new
ATOM      0 HD12 ILE A  11     -11.978  -6.128  -7.426  1.00 62.21           H   new
ATOM      0 HD13 ILE A  11     -12.192  -4.478  -6.793  1.00 62.21           H   new
ATOM    179  N   LYS A  12     -11.139  -8.240  -7.113  1.00 22.10           N
ATOM    180  CA  LYS A  12     -11.693  -8.707  -8.378  1.00 50.23           C
ATOM    181  C   LYS A  12     -11.936 -10.212  -8.344  1.00 31.34           C
ATOM    182  O   LYS A  12     -12.825 -10.723  -9.024  1.00 44.42           O
ATOM    183  CB  LYS A  12     -10.749  -8.358  -9.532  1.00 33.35           C
ATOM    184  CG  LYS A  12     -11.470  -8.000 -10.820  1.00 25.31           C
ATOM    185  CD  LYS A  12     -12.252  -9.182 -11.368  1.00 53.30           C
ATOM    186  CE  LYS A  12     -12.216  -9.217 -12.888  1.00 61.42           C
ATOM    187  NZ  LYS A  12     -13.304  -8.397 -13.489  1.00 32.35           N
ATOM      0  H   LYS A  12     -10.146  -8.008  -7.148  1.00 22.10           H   new
ATOM      0  HA  LYS A  12     -12.649  -8.206  -8.534  1.00 50.23           H   new
ATOM      0  HB2 LYS A  12     -10.118  -7.521  -9.234  1.00 33.35           H   new
ATOM      0  HB3 LYS A  12     -10.088  -9.204  -9.719  1.00 33.35           H   new
ATOM      0  HG2 LYS A  12     -12.148  -7.166 -10.639  1.00 25.31           H   new
ATOM      0  HG3 LYS A  12     -10.746  -7.666 -11.563  1.00 25.31           H   new
ATOM      0  HD2 LYS A  12     -11.838 -10.109 -10.972  1.00 53.30           H   new
ATOM      0  HD3 LYS A  12     -13.286  -9.124 -11.029  1.00 53.30           H   new
ATOM      0  HE2 LYS A  12     -11.251  -8.850 -13.237  1.00 61.42           H   new
ATOM      0  HE3 LYS A  12     -12.308 -10.248 -13.230  1.00 61.42           H   new
ATOM      0  HZ1 LYS A  12     -13.244  -8.447 -14.526  1.00 32.35           H   new
ATOM      0  HZ2 LYS A  12     -14.227  -8.762 -13.177  1.00 32.35           H   new
ATOM      0  HZ3 LYS A  12     -13.202  -7.408 -13.184  1.00 32.35           H   new
ATOM    201  N   ASN A  13     -11.141 -10.917  -7.545  1.00 32.20           N
ATOM    202  CA  ASN A  13     -11.271 -12.364  -7.421  1.00 72.51           C
ATOM    203  C   ASN A  13     -12.511 -12.732  -6.612  1.00 54.00           C
ATOM    204  O   ASN A  13     -13.163 -13.742  -6.879  1.00 34.42           O
ATOM    205  CB  ASN A  13     -10.024 -12.955  -6.760  1.00 41.21           C
ATOM    206  CG  ASN A  13     -10.131 -14.454  -6.559  1.00 63.12           C
ATOM    207  OD1 ASN A  13     -10.387 -14.926  -5.452  1.00 33.53           O
ATOM    208  ND2 ASN A  13      -9.933 -15.210  -7.633  1.00 34.21           N
ATOM      0  H   ASN A  13     -10.400 -10.510  -6.974  1.00 32.20           H   new
ATOM      0  HA  ASN A  13     -11.375 -12.781  -8.423  1.00 72.51           H   new
ATOM      0  HB2 ASN A  13      -9.151 -12.735  -7.375  1.00 41.21           H   new
ATOM      0  HB3 ASN A  13      -9.864 -12.472  -5.796  1.00 41.21           H   new
ATOM      0 HD21 ASN A  13      -9.991 -16.226  -7.559  1.00 34.21           H   new
ATOM      0 HD22 ASN A  13      -9.723 -14.775  -8.531  1.00 34.21           H   new
ATOM    215  N   LEU A  14     -12.832 -11.905  -5.623  1.00 30.20           N
ATOM    216  CA  LEU A  14     -13.995 -12.142  -4.774  1.00 42.14           C
ATOM    217  C   LEU A  14     -15.279 -11.716  -5.479  1.00  2.42           C
ATOM    218  O   LEU A  14     -16.330 -12.334  -5.305  1.00 63.43           O
ATOM    219  CB  LEU A  14     -13.849 -11.385  -3.453  1.00 71.11           C
ATOM    220  CG  LEU A  14     -15.026 -11.496  -2.483  1.00  2.31           C
ATOM    221  CD1 LEU A  14     -15.470 -12.944  -2.346  1.00 10.35           C
ATOM    222  CD2 LEU A  14     -14.653 -10.919  -1.125  1.00 33.12           C
ATOM      0  H   LEU A  14     -12.304 -11.065  -5.389  1.00 30.20           H   new
ATOM      0  HA  LEU A  14     -14.053 -13.211  -4.568  1.00 42.14           H   new
ATOM      0  HB2 LEU A  14     -12.953 -11.745  -2.948  1.00 71.11           H   new
ATOM      0  HB3 LEU A  14     -13.687 -10.331  -3.677  1.00 71.11           H   new
ATOM      0  HG  LEU A  14     -15.859 -10.919  -2.884  1.00  2.31           H   new
ATOM      0 HD11 LEU A  14     -16.308 -13.003  -1.652  1.00 10.35           H   new
ATOM      0 HD12 LEU A  14     -15.778 -13.324  -3.320  1.00 10.35           H   new
ATOM      0 HD13 LEU A  14     -14.642 -13.544  -1.968  1.00 10.35           H   new
ATOM      0 HD21 LEU A  14     -15.502 -11.006  -0.447  1.00 33.12           H   new
ATOM      0 HD22 LEU A  14     -13.805 -11.468  -0.717  1.00 33.12           H   new
ATOM      0 HD23 LEU A  14     -14.385  -9.869  -1.237  1.00 33.12           H   new
ATOM    234  N   LEU A  15     -15.187 -10.657  -6.276  1.00  3.34           N
ATOM    235  CA  LEU A  15     -16.341 -10.148  -7.009  1.00 63.41           C
ATOM    236  C   LEU A  15     -16.832 -11.172  -8.028  1.00 40.41           C
ATOM    237  O   LEU A  15     -18.033 -11.420  -8.144  1.00  4.42           O
ATOM    238  CB  LEU A  15     -15.985  -8.839  -7.715  1.00 44.02           C
ATOM    239  CG  LEU A  15     -16.906  -8.423  -8.862  1.00 52.22           C
ATOM    240  CD1 LEU A  15     -16.969  -6.907  -8.974  1.00 22.44           C
ATOM    241  CD2 LEU A  15     -16.437  -9.037 -10.173  1.00 42.21           C
ATOM      0  H   LEU A  15     -14.325 -10.134  -6.431  1.00  3.34           H   new
ATOM      0  HA  LEU A  15     -17.142  -9.961  -6.294  1.00 63.41           H   new
ATOM      0  HB2 LEU A  15     -15.978  -8.040  -6.974  1.00 44.02           H   new
ATOM      0  HB3 LEU A  15     -14.970  -8.923  -8.103  1.00 44.02           H   new
ATOM      0  HG  LEU A  15     -17.909  -8.793  -8.649  1.00 52.22           H   new
ATOM      0 HD11 LEU A  15     -17.629  -6.630  -9.796  1.00 22.44           H   new
ATOM      0 HD12 LEU A  15     -17.353  -6.489  -8.043  1.00 22.44           H   new
ATOM      0 HD13 LEU A  15     -15.970  -6.514  -9.163  1.00 22.44           H   new
ATOM      0 HD21 LEU A  15     -17.105  -8.730 -10.978  1.00 42.21           H   new
ATOM      0 HD22 LEU A  15     -15.425  -8.698 -10.392  1.00 42.21           H   new
ATOM      0 HD23 LEU A  15     -16.445 -10.124 -10.089  1.00 42.21           H   new
ATOM    253  N   ILE A  16     -15.896 -11.764  -8.763  1.00 13.53           N
ATOM    254  CA  ILE A  16     -16.234 -12.762  -9.769  1.00 73.22           C
ATOM    255  C   ILE A  16     -16.777 -14.032  -9.123  1.00 32.22           C
ATOM    256  O   ILE A  16     -17.657 -14.694  -9.674  1.00 23.23           O
ATOM    257  CB  ILE A  16     -15.014 -13.122 -10.637  1.00 21.52           C
ATOM    258  CG1 ILE A  16     -13.870 -13.635  -9.759  1.00 11.30           C
ATOM    259  CG2 ILE A  16     -14.566 -11.916 -11.449  1.00 35.14           C
ATOM    260  CD1 ILE A  16     -12.616 -13.971 -10.536  1.00 34.13           C
ATOM      0  H   ILE A  16     -14.898 -11.569  -8.680  1.00 13.53           H   new
ATOM      0  HA  ILE A  16     -17.004 -12.322 -10.403  1.00 73.22           H   new
ATOM      0  HB  ILE A  16     -15.300 -13.914 -11.329  1.00 21.52           H   new
ATOM      0 HG12 ILE A  16     -13.632 -12.881  -9.009  1.00 11.30           H   new
ATOM      0 HG13 ILE A  16     -14.204 -14.523  -9.223  1.00 11.30           H   new
ATOM      0 HG21 ILE A  16     -13.703 -12.187 -12.057  1.00 35.14           H   new
ATOM      0 HG22 ILE A  16     -15.380 -11.592 -12.098  1.00 35.14           H   new
ATOM      0 HG23 ILE A  16     -14.294 -11.104 -10.775  1.00 35.14           H   new
ATOM      0 HD11 ILE A  16     -11.848 -14.328  -9.850  1.00 34.13           H   new
ATOM      0 HD12 ILE A  16     -12.839 -14.748 -11.268  1.00 34.13           H   new
ATOM      0 HD13 ILE A  16     -12.257 -13.080 -11.051  1.00 34.13           H   new
ATOM    272  N   SER A  17     -16.248 -14.366  -7.950  1.00  0.50           N
ATOM    273  CA  SER A  17     -16.678 -15.558  -7.229  1.00  1.45           C
ATOM    274  C   SER A  17     -18.024 -15.325  -6.549  1.00 70.41           C
ATOM    275  O   SER A  17     -18.820 -16.250  -6.390  1.00 65.30           O
ATOM    276  CB  SER A  17     -15.630 -15.955  -6.187  1.00 41.11           C
ATOM    277  OG  SER A  17     -14.959 -17.144  -6.566  1.00 74.33           O
ATOM      0  H   SER A  17     -15.521 -13.828  -7.479  1.00  0.50           H   new
ATOM      0  HA  SER A  17     -16.789 -16.368  -7.949  1.00  1.45           H   new
ATOM      0  HB2 SER A  17     -14.907 -15.148  -6.068  1.00 41.11           H   new
ATOM      0  HB3 SER A  17     -16.111 -16.098  -5.219  1.00 41.11           H   new
ATOM      0  HG  SER A  17     -14.294 -17.375  -5.885  1.00 74.33           H   new
ATOM    283  N   GLY A  18     -18.272 -14.082  -6.150  1.00  3.43           N
ATOM    284  CA  GLY A  18     -19.522 -13.749  -5.492  1.00  3.32           C
ATOM    285  C   GLY A  18     -20.640 -13.473  -6.477  1.00 40.11           C
ATOM    286  O   GLY A  18     -21.817 -13.505  -6.117  1.00 34.34           O
ATOM      0  H   GLY A  18     -17.630 -13.299  -6.271  1.00  3.43           H   new
ATOM      0  HA2 GLY A  18     -19.814 -14.570  -4.837  1.00  3.32           H   new
ATOM      0  HA3 GLY A  18     -19.374 -12.873  -4.860  1.00  3.32           H   new
ATOM    290  N   LEU A  19     -20.273 -13.199  -7.724  1.00 72.02           N
ATOM    291  CA  LEU A  19     -21.255 -12.914  -8.765  1.00 63.33           C
ATOM    292  C   LEU A  19     -21.474 -14.134  -9.655  1.00 41.31           C
ATOM    293  O   LEU A  19     -22.486 -14.236 -10.349  1.00 31.15           O
ATOM    294  CB  LEU A  19     -20.798 -11.726  -9.613  1.00 41.30           C
ATOM    295  CG  LEU A  19     -21.490 -11.561 -10.967  1.00 22.44           C
ATOM    296  CD1 LEU A  19     -22.990 -11.390 -10.782  1.00 64.01           C
ATOM    297  CD2 LEU A  19     -20.905 -10.378 -11.724  1.00 72.23           C
ATOM      0  H   LEU A  19     -19.303 -13.168  -8.039  1.00 72.02           H   new
ATOM      0  HA  LEU A  19     -22.200 -12.665  -8.281  1.00 63.33           H   new
ATOM      0  HB2 LEU A  19     -20.950 -10.814  -9.036  1.00 41.30           H   new
ATOM      0  HB3 LEU A  19     -19.726 -11.819  -9.785  1.00 41.30           H   new
ATOM      0  HG  LEU A  19     -21.318 -12.463 -11.554  1.00 22.44           H   new
ATOM      0 HD11 LEU A  19     -23.466 -11.274 -11.756  1.00 64.01           H   new
ATOM      0 HD12 LEU A  19     -23.397 -12.268 -10.281  1.00 64.01           H   new
ATOM      0 HD13 LEU A  19     -23.183 -10.505 -10.176  1.00 64.01           H   new
ATOM      0 HD21 LEU A  19     -21.409 -10.276 -12.685  1.00 72.23           H   new
ATOM      0 HD22 LEU A  19     -21.046  -9.468 -11.141  1.00 72.23           H   new
ATOM      0 HD23 LEU A  19     -19.840 -10.542 -11.889  1.00 72.23           H   new