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+   -167:sc= -0.0799   (180deg=-0.366)
USER  MOD Single : A  12 ASN     :      amide:sc=       0  X(o=0,f=0)
USER  MOD Single : A  17 MET CE  :methyl -137:sc=-0.00739   (180deg=-0.135)
USER  MOD -----------------------------------------------------------------
ATOM      1  N   GLY A   1     -14.494  -3.770   1.646  1.00  0.00           N
ATOM      2  CA  GLY A   1     -14.172  -2.362   1.494  1.00  0.00           C
ATOM      3  C   GLY A   1     -12.737  -2.076   1.941  1.00  0.00           C
ATOM      4  O   GLY A   1     -12.107  -1.136   1.457  1.00  0.00           O
ATOM      0  H1  GLY A   1     -15.378  -3.981   1.140  1.00  0.00           H   new
ATOM      0  H2  GLY A   1     -13.723  -4.347   1.252  1.00  0.00           H   new
ATOM      0  H3  GLY A   1     -14.612  -3.992   2.655  1.00  0.00           H   new
ATOM      0  HA2 GLY A   1     -14.298  -2.067   0.452  1.00  0.00           H   new
ATOM      0  HA3 GLY A   1     -14.866  -1.761   2.081  1.00  0.00           H   new
ATOM      8  N   LEU A   2     -12.261  -2.904   2.858  1.00  0.00           N
ATOM      9  CA  LEU A   2     -10.912  -2.752   3.377  1.00  0.00           C
ATOM     10  C   LEU A   2      -9.911  -3.253   2.335  1.00  0.00           C
ATOM     11  O   LEU A   2      -8.953  -2.556   2.002  1.00  0.00           O
ATOM     12  CB  LEU A   2     -10.779  -3.440   4.736  1.00  0.00           C
ATOM     13  CG  LEU A   2      -9.794  -2.801   5.719  1.00  0.00           C
ATOM     14  CD1 LEU A   2     -10.529  -1.947   6.754  1.00  0.00           C
ATOM     15  CD2 LEU A   2      -8.909  -3.862   6.375  1.00  0.00           C
ATOM      0  H   LEU A   2     -12.785  -3.683   3.256  1.00  0.00           H   new
ATOM      0  HA  LEU A   2     -10.689  -1.700   3.555  1.00  0.00           H   new
ATOM      0  HB2 LEU A   2     -11.763  -3.468   5.205  1.00  0.00           H   new
ATOM      0  HB3 LEU A   2     -10.476  -4.474   4.569  1.00  0.00           H   new
ATOM      0  HG  LEU A   2      -9.137  -2.135   5.160  1.00  0.00           H   new
ATOM      0 HD11 LEU A   2      -9.807  -1.505   7.440  1.00  0.00           H   new
ATOM      0 HD12 LEU A   2     -11.080  -1.155   6.247  1.00  0.00           H   new
ATOM      0 HD13 LEU A   2     -11.225  -2.572   7.313  1.00  0.00           H   new
ATOM      0 HD21 LEU A   2      -8.219  -3.382   7.068  1.00  0.00           H   new
ATOM      0 HD22 LEU A   2      -9.533  -4.572   6.918  1.00  0.00           H   new
ATOM      0 HD23 LEU A   2      -8.343  -4.390   5.607  1.00  0.00           H   new
ATOM     27  N   PHE A   3     -10.166  -4.459   1.847  1.00  0.00           N
ATOM     28  CA  PHE A   3      -9.299  -5.061   0.849  1.00  0.00           C
ATOM     29  C   PHE A   3      -9.155  -4.152  -0.374  1.00  0.00           C
ATOM     30  O   PHE A   3      -8.182  -4.258  -1.119  1.00  0.00           O
ATOM     31  CB  PHE A   3      -9.957  -6.373   0.418  1.00  0.00           C
ATOM     32  CG  PHE A   3      -8.966  -7.506   0.142  1.00  0.00           C
ATOM     33  CD1 PHE A   3      -7.955  -7.752   1.017  1.00  0.00           C
ATOM     34  CD2 PHE A   3      -9.096  -8.266  -0.978  1.00  0.00           C
ATOM     35  CE1 PHE A   3      -7.035  -8.803   0.762  1.00  0.00           C
ATOM     36  CE2 PHE A   3      -8.177  -9.317  -1.234  1.00  0.00           C
ATOM     37  CZ  PHE A   3      -7.165  -9.563  -0.358  1.00  0.00           C
ATOM      0  H   PHE A   3     -10.961  -5.035   2.125  1.00  0.00           H   new
ATOM      0  HA  PHE A   3      -8.306  -5.221   1.268  1.00  0.00           H   new
ATOM      0  HB2 PHE A   3     -10.650  -6.692   1.196  1.00  0.00           H   new
ATOM      0  HB3 PHE A   3     -10.547  -6.193  -0.481  1.00  0.00           H   new
ATOM      0  HD1 PHE A   3      -7.852  -7.148   1.906  1.00  0.00           H   new
ATOM      0  HD2 PHE A   3      -9.899  -8.070  -1.673  1.00  0.00           H   new
ATOM      0  HE1 PHE A   3      -6.232  -8.999   1.457  1.00  0.00           H   new
ATOM      0  HE2 PHE A   3      -8.281  -9.921  -2.123  1.00  0.00           H   new
ATOM      0  HZ  PHE A   3      -6.465 -10.362  -0.552  1.00  0.00           H   new
ATOM     47  N   GLY A   4     -10.137  -3.277  -0.541  1.00  0.00           N
ATOM     48  CA  GLY A   4     -10.132  -2.351  -1.659  1.00  0.00           C
ATOM     49  C   GLY A   4      -9.388  -1.062  -1.300  1.00  0.00           C
ATOM     50  O   GLY A   4      -8.938  -0.334  -2.182  1.00  0.00           O
ATOM      0  H   GLY A   4     -10.941  -3.191   0.080  1.00  0.00           H   new
ATOM      0  HA2 GLY A   4      -9.659  -2.820  -2.522  1.00  0.00           H   new
ATOM      0  HA3 GLY A   4     -11.157  -2.116  -1.946  1.00  0.00           H   new
ATOM     54  N   ALA A   5      -9.284  -0.820  -0.001  1.00  0.00           N
ATOM     55  CA  ALA A   5      -8.604   0.369   0.487  1.00  0.00           C
ATOM     56  C   ALA A   5      -7.096   0.111   0.517  1.00  0.00           C
ATOM     57  O   ALA A   5      -6.300   1.043   0.403  1.00  0.00           O
ATOM     58  CB  ALA A   5      -9.159   0.747   1.861  1.00  0.00           C
ATOM      0  H   ALA A   5      -9.659  -1.427   0.728  1.00  0.00           H   new
ATOM      0  HA  ALA A   5      -8.781   1.214  -0.179  1.00  0.00           H   new
ATOM      0  HB1 ALA A   5      -8.649   1.638   2.227  1.00  0.00           H   new
ATOM      0  HB2 ALA A   5     -10.227   0.948   1.779  1.00  0.00           H   new
ATOM      0  HB3 ALA A   5      -8.997  -0.075   2.558  1.00  0.00           H   new
ATOM     64  N   ILE A   6      -6.748  -1.158   0.672  1.00  0.00           N
ATOM     65  CA  ILE A   6      -5.349  -1.550   0.720  1.00  0.00           C
ATOM     66  C   ILE A   6      -4.585  -0.834  -0.396  1.00  0.00           C
ATOM     67  O   ILE A   6      -3.488  -0.324  -0.174  1.00  0.00           O
ATOM     68  CB  ILE A   6      -5.218  -3.073   0.674  1.00  0.00           C
ATOM     69  CG1 ILE A   6      -6.030  -3.728   1.794  1.00  0.00           C
ATOM     70  CG2 ILE A   6      -3.748  -3.499   0.709  1.00  0.00           C
ATOM     71  CD1 ILE A   6      -5.647  -5.200   1.961  1.00  0.00           C
ATOM      0  H   ILE A   6      -7.410  -1.928   0.766  1.00  0.00           H   new
ATOM      0  HA  ILE A   6      -4.899  -1.242   1.664  1.00  0.00           H   new
ATOM      0  HB  ILE A   6      -5.633  -3.422  -0.272  1.00  0.00           H   new
ATOM      0 HG12 ILE A   6      -5.860  -3.196   2.730  1.00  0.00           H   new
ATOM      0 HG13 ILE A   6      -7.094  -3.649   1.571  1.00  0.00           H   new
ATOM      0 HG21 ILE A   6      -3.683  -4.587   0.675  1.00  0.00           H   new
ATOM      0 HG22 ILE A   6      -3.227  -3.078  -0.150  1.00  0.00           H   new
ATOM      0 HG23 ILE A   6      -3.286  -3.136   1.627  1.00  0.00           H   new
ATOM      0 HD11 ILE A   6      -6.239  -5.641   2.763  1.00  0.00           H   new
ATOM      0 HD12 ILE A   6      -5.841  -5.734   1.031  1.00  0.00           H   new
ATOM      0 HD13 ILE A   6      -4.588  -5.275   2.208  1.00  0.00           H   new
ATOM     83  N   ALA A   7      -5.196  -0.818  -1.572  1.00  0.00           N
ATOM     84  CA  ALA A   7      -4.586  -0.173  -2.723  1.00  0.00           C
ATOM     85  C   ALA A   7      -4.067   1.206  -2.313  1.00  0.00           C
ATOM     86  O   ALA A   7      -2.964   1.596  -2.693  1.00  0.00           O
ATOM     87  CB  ALA A   7      -5.604  -0.098  -3.863  1.00  0.00           C
ATOM      0  H   ALA A   7      -6.106  -1.241  -1.753  1.00  0.00           H   new
ATOM      0  HA  ALA A   7      -3.735  -0.752  -3.082  1.00  0.00           H   new
ATOM      0  HB1 ALA A   7      -5.148   0.386  -4.727  1.00  0.00           H   new
ATOM      0  HB2 ALA A   7      -5.920  -1.105  -4.136  1.00  0.00           H   new
ATOM      0  HB3 ALA A   7      -6.470   0.479  -3.540  1.00  0.00           H   new
ATOM     93  N   GLY A   8      -4.886   1.907  -1.542  1.00  0.00           N
ATOM     94  CA  GLY A   8      -4.522   3.235  -1.076  1.00  0.00           C
ATOM     95  C   GLY A   8      -3.326   3.173  -0.125  1.00  0.00           C
ATOM     96  O   GLY A   8      -2.537   4.115  -0.052  1.00  0.00           O
ATOM      0  H   GLY A   8      -5.800   1.581  -1.228  1.00  0.00           H   new
ATOM      0  HA2 GLY A   8      -4.281   3.870  -1.928  1.00  0.00           H   new
ATOM      0  HA3 GLY A   8      -5.372   3.692  -0.568  1.00  0.00           H   new
ATOM    100  N   PHE A   9      -3.227   2.056   0.581  1.00  0.00           N
ATOM    101  CA  PHE A   9      -2.140   1.859   1.524  1.00  0.00           C
ATOM    102  C   PHE A   9      -0.846   1.482   0.799  1.00  0.00           C
ATOM    103  O   PHE A   9       0.248   1.709   1.315  1.00  0.00           O
ATOM    104  CB  PHE A   9      -2.549   0.708   2.444  1.00  0.00           C
ATOM    105  CG  PHE A   9      -1.613   0.502   3.637  1.00  0.00           C
ATOM    106  CD1 PHE A   9      -1.273   1.557   4.424  1.00  0.00           C
ATOM    107  CD2 PHE A   9      -1.121  -0.736   3.910  1.00  0.00           C
ATOM    108  CE1 PHE A   9      -0.404   1.367   5.531  1.00  0.00           C
ATOM    109  CE2 PHE A   9      -0.253  -0.928   5.018  1.00  0.00           C
ATOM    110  CZ  PHE A   9       0.088   0.128   5.804  1.00  0.00           C
ATOM      0  H   PHE A   9      -3.883   1.277   0.518  1.00  0.00           H   new
ATOM      0  HA  PHE A   9      -1.958   2.779   2.080  1.00  0.00           H   new
ATOM      0  HB2 PHE A   9      -3.557   0.893   2.814  1.00  0.00           H   new
ATOM      0  HB3 PHE A   9      -2.587  -0.213   1.862  1.00  0.00           H   new
ATOM      0  HD1 PHE A   9      -1.664   2.540   4.207  1.00  0.00           H   new
ATOM      0  HD2 PHE A   9      -1.390  -1.574   3.284  1.00  0.00           H   new
ATOM      0  HE1 PHE A   9      -0.134   2.205   6.156  1.00  0.00           H   new
ATOM      0  HE2 PHE A   9       0.136  -1.912   5.236  1.00  0.00           H   new
ATOM      0  HZ  PHE A   9       0.750  -0.017   6.645  1.00  0.00           H   new
ATOM    120  N   ILE A  10      -1.014   0.912  -0.386  1.00  0.00           N
ATOM    121  CA  ILE A  10       0.127   0.502  -1.187  1.00  0.00           C
ATOM    122  C   ILE A  10       1.030   1.710  -1.439  1.00  0.00           C
ATOM    123  O   ILE A  10       2.236   1.561  -1.623  1.00  0.00           O
ATOM    124  CB  ILE A  10      -0.340  -0.196  -2.466  1.00  0.00           C
ATOM    125  CG1 ILE A  10      -1.225  -1.401  -2.142  1.00  0.00           C
ATOM    126  CG2 ILE A  10       0.851  -0.579  -3.347  1.00  0.00           C
ATOM    127  CD1 ILE A  10      -1.394  -2.303  -3.367  1.00  0.00           C
ATOM      0  H   ILE A  10      -1.923   0.725  -0.810  1.00  0.00           H   new
ATOM      0  HA  ILE A  10       0.725  -0.234  -0.650  1.00  0.00           H   new
ATOM      0  HB  ILE A  10      -0.949   0.506  -3.035  1.00  0.00           H   new
ATOM      0 HG12 ILE A  10      -0.784  -1.971  -1.324  1.00  0.00           H   new
ATOM      0 HG13 ILE A  10      -2.202  -1.058  -1.801  1.00  0.00           H   new
ATOM      0 HG21 ILE A  10       0.492  -1.073  -4.250  1.00  0.00           H   new
ATOM      0 HG22 ILE A  10       1.405   0.319  -3.621  1.00  0.00           H   new
ATOM      0 HG23 ILE A  10       1.506  -1.256  -2.799  1.00  0.00           H   new
ATOM      0 HD11 ILE A  10      -2.027  -3.152  -3.109  1.00  0.00           H   new
ATOM      0 HD12 ILE A  10      -1.857  -1.737  -4.175  1.00  0.00           H   new
ATOM      0 HD13 ILE A  10      -0.418  -2.664  -3.691  1.00  0.00           H   new
ATOM    139  N   GLU A  11       0.410   2.882  -1.439  1.00  0.00           N
ATOM    140  CA  GLU A  11       1.142   4.115  -1.666  1.00  0.00           C
ATOM    141  C   GLU A  11       2.202   4.311  -0.580  1.00  0.00           C
ATOM    142  O   GLU A  11       3.163   5.054  -0.773  1.00  0.00           O
ATOM    143  CB  GLU A  11       0.191   5.313  -1.727  1.00  0.00           C
ATOM    144  CG  GLU A  11      -0.761   5.198  -2.918  1.00  0.00           C
ATOM    145  CD  GLU A  11      -2.025   6.030  -2.692  1.00  0.00           C
ATOM    146  OE1 GLU A  11      -2.147   6.584  -1.579  1.00  0.00           O
ATOM    147  OE2 GLU A  11      -2.840   6.092  -3.638  1.00  0.00           O
ATOM      0  H   GLU A  11      -0.591   3.002  -1.285  1.00  0.00           H   new
ATOM      0  HA  GLU A  11       1.647   4.043  -2.630  1.00  0.00           H   new
ATOM      0  HB2 GLU A  11      -0.383   5.373  -0.803  1.00  0.00           H   new
ATOM      0  HB3 GLU A  11       0.767   6.235  -1.805  1.00  0.00           H   new
ATOM      0  HG2 GLU A  11      -0.257   5.534  -3.824  1.00  0.00           H   new
ATOM      0  HG3 GLU A  11      -1.032   4.153  -3.072  1.00  0.00           H   new
ATOM    154  N   ASN A  12       1.990   3.633   0.538  1.00  0.00           N
ATOM    155  CA  ASN A  12       2.916   3.723   1.655  1.00  0.00           C
ATOM    156  C   ASN A  12       3.609   2.372   1.847  1.00  0.00           C
ATOM    157  O   ASN A  12       4.782   2.319   2.212  1.00  0.00           O
ATOM    158  CB  ASN A  12       2.182   4.066   2.952  1.00  0.00           C
ATOM    159  CG  ASN A  12       2.055   5.582   3.125  1.00  0.00           C
ATOM    160  OD1 ASN A  12       2.829   6.219   3.820  1.00  0.00           O
ATOM    161  ND2 ASN A  12       1.038   6.119   2.457  1.00  0.00           N
ATOM      0  H   ASN A  12       1.191   3.019   0.695  1.00  0.00           H   new
ATOM      0  HA  ASN A  12       3.639   4.507   1.432  1.00  0.00           H   new
ATOM      0  HB2 ASN A  12       1.191   3.613   2.944  1.00  0.00           H   new
ATOM      0  HB3 ASN A  12       2.719   3.643   3.801  1.00  0.00           H   new
ATOM      0 HD21 ASN A  12       0.868   7.123   2.508  1.00  0.00           H   new
ATOM      0 HD22 ASN A  12       0.428   5.526   1.893  1.00  0.00           H   new
ATOM    168  N   ALA A  13       2.853   1.314   1.593  1.00  0.00           N
ATOM    169  CA  ALA A  13       3.379  -0.033   1.734  1.00  0.00           C
ATOM    170  C   ALA A  13       4.291  -0.346   0.545  1.00  0.00           C
ATOM    171  O   ALA A  13       5.052  -1.312   0.580  1.00  0.00           O
ATOM    172  CB  ALA A  13       2.220  -1.024   1.856  1.00  0.00           C
ATOM      0  H   ALA A  13       1.880   1.362   1.290  1.00  0.00           H   new
ATOM      0  HA  ALA A  13       3.977  -0.118   2.641  1.00  0.00           H   new
ATOM      0  HB1 ALA A  13       2.615  -2.034   1.962  1.00  0.00           H   new
ATOM      0  HB2 ALA A  13       1.620  -0.776   2.731  1.00  0.00           H   new
ATOM      0  HB3 ALA A  13       1.599  -0.969   0.962  1.00  0.00           H   new
ATOM    178  N   TRP A  14       4.183   0.488  -0.478  1.00  0.00           N
ATOM    179  CA  TRP A  14       4.989   0.312  -1.674  1.00  0.00           C
ATOM    180  C   TRP A  14       6.141   1.318  -1.621  1.00  0.00           C
ATOM    181  O   TRP A  14       7.277   0.951  -1.326  1.00  0.00           O
ATOM    182  CB  TRP A  14       4.134   0.448  -2.935  1.00  0.00           C
ATOM    183  CG  TRP A  14       4.831  -0.021  -4.214  1.00  0.00           C
ATOM    184  CD1 TRP A  14       5.885  -0.841  -4.326  1.00  0.00           C
ATOM    185  CD2 TRP A  14       4.478   0.336  -5.567  1.00  0.00           C
ATOM    186  NE1 TRP A  14       6.236  -1.037  -5.646  1.00  0.00           N
ATOM    187  CE2 TRP A  14       5.353  -0.298  -6.425  1.00  0.00           C
ATOM    188  CE3 TRP A  14       3.452   1.169  -6.051  1.00  0.00           C
ATOM    189  CZ2 TRP A  14       5.292  -0.167  -7.818  1.00  0.00           C
ATOM    190  CZ3 TRP A  14       3.405   1.290  -7.445  1.00  0.00           C
ATOM    191  CH2 TRP A  14       4.279   0.657  -8.322  1.00  0.00           C
ATOM      0  H   TRP A  14       3.550   1.287  -0.504  1.00  0.00           H   new
ATOM      0  HA  TRP A  14       5.407  -0.694  -1.713  1.00  0.00           H   new
ATOM      0  HB2 TRP A  14       3.216  -0.125  -2.803  1.00  0.00           H   new
ATOM      0  HB3 TRP A  14       3.844   1.492  -3.054  1.00  0.00           H   new
ATOM      0  HD1 TRP A  14       6.396  -1.292  -3.488  1.00  0.00           H   new
ATOM      0  HE1 TRP A  14       7.002  -1.617  -5.987  1.00  0.00           H   new
ATOM      0  HE3 TRP A  14       2.756   1.675  -5.399  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  14       5.989  -0.674  -8.468  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  14       2.636   1.919  -7.869  1.00  0.00           H   new
ATOM      0  HH2 TRP A  14       4.177   0.801  -9.388  1.00  0.00           H   new
ATOM    202  N   GLU A  15       5.807   2.567  -1.912  1.00  0.00           N
ATOM    203  CA  GLU A  15       6.800   3.628  -1.901  1.00  0.00           C
ATOM    204  C   GLU A  15       7.783   3.423  -0.747  1.00  0.00           C
ATOM    205  O   GLU A  15       8.973   3.701  -0.886  1.00  0.00           O
ATOM    206  CB  GLU A  15       6.132   5.002  -1.815  1.00  0.00           C
ATOM    207  CG  GLU A  15       5.796   5.358  -0.365  1.00  0.00           C
ATOM    208  CD  GLU A  15       5.102   6.719  -0.282  1.00  0.00           C
ATOM    209  OE1 GLU A  15       5.277   7.505  -1.238  1.00  0.00           O
ATOM    210  OE2 GLU A  15       4.411   6.943   0.737  1.00  0.00           O
ATOM      0  H   GLU A  15       4.864   2.868  -2.157  1.00  0.00           H   new
ATOM      0  HA  GLU A  15       7.357   3.589  -2.837  1.00  0.00           H   new
ATOM      0  HB2 GLU A  15       6.794   5.759  -2.235  1.00  0.00           H   new
ATOM      0  HB3 GLU A  15       5.222   5.006  -2.415  1.00  0.00           H   new
ATOM      0  HG2 GLU A  15       5.151   4.590   0.062  1.00  0.00           H   new
ATOM      0  HG3 GLU A  15       6.709   5.374   0.230  1.00  0.00           H   new
ATOM    217  N   GLY A  16       7.250   2.938   0.364  1.00  0.00           N
ATOM    218  CA  GLY A  16       8.066   2.693   1.540  1.00  0.00           C
ATOM    219  C   GLY A  16       8.973   1.478   1.335  1.00  0.00           C
ATOM    220  O   GLY A  16      10.174   1.544   1.592  1.00  0.00           O
ATOM      0  H   GLY A  16       6.262   2.708   0.475  1.00  0.00           H   new
ATOM      0  HA2 GLY A  16       8.673   3.572   1.755  1.00  0.00           H   new
ATOM      0  HA3 GLY A  16       7.423   2.530   2.405  1.00  0.00           H   new
ATOM    224  N   MET A  17       8.363   0.396   0.873  1.00  0.00           N
ATOM    225  CA  MET A  17       9.101  -0.832   0.630  1.00  0.00           C
ATOM    226  C   MET A  17      10.096  -0.656  -0.519  1.00  0.00           C
ATOM    227  O   MET A  17      10.923  -1.532  -0.768  1.00  0.00           O
ATOM    228  CB  MET A  17       8.122  -1.957   0.290  1.00  0.00           C
ATOM    229  CG  MET A  17       7.735  -2.744   1.543  1.00  0.00           C
ATOM    230  SD  MET A  17       7.427  -4.452   1.121  1.00  0.00           S
ATOM    231  CE  MET A  17       9.105  -5.040   0.965  1.00  0.00           C
ATOM      0  H   MET A  17       7.367   0.344   0.661  1.00  0.00           H   new
ATOM      0  HA  MET A  17       9.658  -1.083   1.532  1.00  0.00           H   new
ATOM      0  HB2 MET A  17       7.228  -1.538  -0.172  1.00  0.00           H   new
ATOM      0  HB3 MET A  17       8.573  -2.628  -0.441  1.00  0.00           H   new
ATOM      0  HG2 MET A  17       8.533  -2.682   2.282  1.00  0.00           H   new
ATOM      0  HG3 MET A  17       6.846  -2.307   1.997  1.00  0.00           H   new
ATOM      0  HE1 MET A  17       9.187  -5.677   0.084  1.00  0.00           H   new
ATOM      0  HE2 MET A  17       9.780  -4.190   0.862  1.00  0.00           H   new
ATOM      0  HE3 MET A  17       9.374  -5.612   1.853  1.00  0.00           H   new
ATOM    241  N   ILE A  18       9.982   0.482  -1.189  1.00  0.00           N
ATOM    242  CA  ILE A  18      10.860   0.783  -2.306  1.00  0.00           C
ATOM    243  C   ILE A  18      12.028   1.641  -1.814  1.00  0.00           C
ATOM    244  O   ILE A  18      13.152   1.498  -2.292  1.00  0.00           O
ATOM    245  CB  ILE A  18      10.070   1.418  -3.453  1.00  0.00           C
ATOM    246  CG1 ILE A  18       9.050   0.435  -4.027  1.00  0.00           C
ATOM    247  CG2 ILE A  18      11.011   1.963  -4.530  1.00  0.00           C
ATOM    248  CD1 ILE A  18       8.195   1.100  -5.108  1.00  0.00           C
ATOM      0  H   ILE A  18       9.295   1.206  -0.979  1.00  0.00           H   new
ATOM      0  HA  ILE A  18      11.287  -0.134  -2.713  1.00  0.00           H   new
ATOM      0  HB  ILE A  18       9.511   2.265  -3.055  1.00  0.00           H   new
ATOM      0 HG12 ILE A  18       9.567  -0.427  -4.447  1.00  0.00           H   new
ATOM      0 HG13 ILE A  18       8.408   0.064  -3.228  1.00  0.00           H   new
ATOM      0 HG21 ILE A  18      10.425   2.409  -5.334  1.00  0.00           H   new
ATOM      0 HG22 ILE A  18      11.664   2.719  -4.094  1.00  0.00           H   new
ATOM      0 HG23 ILE A  18      11.616   1.149  -4.930  1.00  0.00           H   new
ATOM      0 HD11 ILE A  18       7.478   0.379  -5.500  1.00  0.00           H   new
ATOM      0 HD12 ILE A  18       7.660   1.947  -4.679  1.00  0.00           H   new
ATOM      0 HD13 ILE A  18       8.837   1.448  -5.917  1.00  0.00           H   new
ATOM    260  N   ASP A  19      11.721   2.513  -0.866  1.00  0.00           N
ATOM    261  CA  ASP A  19      12.730   3.394  -0.303  1.00  0.00           C
ATOM    262  C   ASP A  19      13.610   2.601   0.665  1.00  0.00           C
ATOM    263  O   ASP A  19      14.831   2.568   0.516  1.00  0.00           O
ATOM    264  CB  ASP A  19      12.087   4.542   0.475  1.00  0.00           C
ATOM    265  CG  ASP A  19      12.889   5.845   0.488  1.00  0.00           C
ATOM    266  OD1 ASP A  19      13.320   6.257  -0.611  1.00  0.00           O
ATOM    267  OD2 ASP A  19      13.055   6.399   1.596  1.00  0.00           O
ATOM      0  H   ASP A  19      10.787   2.629  -0.473  1.00  0.00           H   new
ATOM      0  HA  ASP A  19      13.318   3.801  -1.125  1.00  0.00           H   new
ATOM      0  HB2 ASP A  19      11.104   4.743   0.050  1.00  0.00           H   new
ATOM      0  HB3 ASP A  19      11.930   4.220   1.504  1.00  0.00           H   new