USER  MOD reduce.3.24.130724 H: found=0, std=0, add=135, rem=0, adj=2
USER  MOD reduce.3.24.130724 removed 133 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= -0.0916   (180deg=-0.37)
USER  MOD Single : A  12 ASN     :      amide:sc=  -0.194  K(o=-0.19,f=-1.4!)
USER  MOD Single : A  17 MET CE  :methyl -147:sc=  -0.189   (180deg=-1.02)
USER  MOD -----------------------------------------------------------------
ATOM      1  N   GLY A   1     -14.610  -3.590   1.597  1.00  0.00           N
ATOM      2  CA  GLY A   1     -14.262  -2.186   1.459  1.00  0.00           C
ATOM      3  C   GLY A   1     -12.824  -1.930   1.915  1.00  0.00           C
ATOM      4  O   GLY A   1     -12.177  -0.997   1.443  1.00  0.00           O
ATOM      0  H1  GLY A   1     -15.495  -3.780   1.085  1.00  0.00           H   new
ATOM      0  H2  GLY A   1     -13.848  -4.177   1.201  1.00  0.00           H   new
ATOM      0  H3  GLY A   1     -14.736  -3.819   2.604  1.00  0.00           H   new
ATOM      0  HA2 GLY A   1     -14.378  -1.880   0.419  1.00  0.00           H   new
ATOM      0  HA3 GLY A   1     -14.948  -1.578   2.049  1.00  0.00           H   new
ATOM      8  N   LEU A   2     -12.367  -2.774   2.828  1.00  0.00           N
ATOM      9  CA  LEU A   2     -11.018  -2.652   3.353  1.00  0.00           C
ATOM     10  C   LEU A   2     -10.021  -3.160   2.309  1.00  0.00           C
ATOM     11  O   LEU A   2      -9.051  -2.475   1.988  1.00  0.00           O
ATOM     12  CB  LEU A   2     -10.904  -3.356   4.706  1.00  0.00           C
ATOM     13  CG  LEU A   2      -9.912  -2.745   5.698  1.00  0.00           C
ATOM     14  CD1 LEU A   2     -10.479  -1.469   6.325  1.00  0.00           C
ATOM     15  CD2 LEU A   2      -9.497  -3.767   6.758  1.00  0.00           C
ATOM      0  H   LEU A   2     -12.908  -3.546   3.218  1.00  0.00           H   new
ATOM      0  HA  LEU A   2     -10.776  -1.606   3.543  1.00  0.00           H   new
ATOM      0  HB2 LEU A   2     -11.890  -3.370   5.170  1.00  0.00           H   new
ATOM      0  HB3 LEU A   2     -10.620  -4.394   4.531  1.00  0.00           H   new
ATOM      0  HG  LEU A   2      -9.012  -2.464   5.151  1.00  0.00           H   new
ATOM      0 HD11 LEU A   2      -9.754  -1.055   7.026  1.00  0.00           H   new
ATOM      0 HD12 LEU A   2     -10.684  -0.739   5.542  1.00  0.00           H   new
ATOM      0 HD13 LEU A   2     -11.403  -1.703   6.854  1.00  0.00           H   new
ATOM      0 HD21 LEU A   2      -8.792  -3.307   7.450  1.00  0.00           H   new
ATOM      0 HD22 LEU A   2     -10.378  -4.101   7.306  1.00  0.00           H   new
ATOM      0 HD23 LEU A   2      -9.025  -4.622   6.274  1.00  0.00           H   new
ATOM     27  N   PHE A   3     -10.295  -4.356   1.809  1.00  0.00           N
ATOM     28  CA  PHE A   3      -9.434  -4.962   0.809  1.00  0.00           C
ATOM     29  C   PHE A   3      -9.268  -4.043  -0.403  1.00  0.00           C
ATOM     30  O   PHE A   3      -8.294  -4.157  -1.145  1.00  0.00           O
ATOM     31  CB  PHE A   3     -10.113  -6.259   0.361  1.00  0.00           C
ATOM     32  CG  PHE A   3      -9.141  -7.404   0.077  1.00  0.00           C
ATOM     33  CD1 PHE A   3      -8.341  -7.879   1.069  1.00  0.00           C
ATOM     34  CD2 PHE A   3      -9.075  -7.949  -1.168  1.00  0.00           C
ATOM     35  CE1 PHE A   3      -7.438  -8.944   0.805  1.00  0.00           C
ATOM     36  CE2 PHE A   3      -8.173  -9.013  -1.432  1.00  0.00           C
ATOM     37  CZ  PHE A   3      -7.373  -9.488  -0.440  1.00  0.00           C
ATOM      0  H   PHE A   3     -11.101  -4.921   2.078  1.00  0.00           H   new
ATOM      0  HA  PHE A   3      -8.446  -5.144   1.231  1.00  0.00           H   new
ATOM      0  HB2 PHE A   3     -10.815  -6.575   1.133  1.00  0.00           H   new
ATOM      0  HB3 PHE A   3     -10.696  -6.060  -0.538  1.00  0.00           H   new
ATOM      0  HD1 PHE A   3      -8.392  -7.447   2.057  1.00  0.00           H   new
ATOM      0  HD2 PHE A   3      -9.710  -7.572  -1.956  1.00  0.00           H   new
ATOM      0  HE1 PHE A   3      -6.803  -9.322   1.593  1.00  0.00           H   new
ATOM      0  HE2 PHE A   3      -8.122  -9.445  -2.420  1.00  0.00           H   new
ATOM      0  HZ  PHE A   3      -6.686 -10.297  -0.641  1.00  0.00           H   new
ATOM     47  N   GLY A   4     -10.235  -3.151  -0.567  1.00  0.00           N
ATOM     48  CA  GLY A   4     -10.209  -2.213  -1.675  1.00  0.00           C
ATOM     49  C   GLY A   4      -9.443  -0.942  -1.300  1.00  0.00           C
ATOM     50  O   GLY A   4      -8.973  -0.215  -2.173  1.00  0.00           O
ATOM      0  H   GLY A   4     -11.042  -3.059   0.050  1.00  0.00           H   new
ATOM      0  HA2 GLY A   4      -9.742  -2.681  -2.541  1.00  0.00           H   new
ATOM      0  HA3 GLY A   4     -11.228  -1.956  -1.963  1.00  0.00           H   new
ATOM     54  N   ALA A   5      -9.343  -0.713   0.001  1.00  0.00           N
ATOM     55  CA  ALA A   5      -8.643   0.457   0.503  1.00  0.00           C
ATOM     56  C   ALA A   5      -7.140   0.172   0.536  1.00  0.00           C
ATOM     57  O   ALA A   5      -6.329   1.091   0.433  1.00  0.00           O
ATOM     58  CB  ALA A   5      -9.195   0.832   1.880  1.00  0.00           C
ATOM      0  H   ALA A   5      -9.735  -1.318   0.723  1.00  0.00           H   new
ATOM      0  HA  ALA A   5      -8.803   1.311  -0.156  1.00  0.00           H   new
ATOM      0  HB1 ALA A   5      -8.669   1.710   2.256  1.00  0.00           H   new
ATOM      0  HB2 ALA A   5     -10.259   1.054   1.797  1.00  0.00           H   new
ATOM      0  HB3 ALA A   5      -9.050  -0.000   2.569  1.00  0.00           H   new
ATOM     64  N   ILE A   6      -6.815  -1.104   0.681  1.00  0.00           N
ATOM     65  CA  ILE A   6      -5.424  -1.522   0.729  1.00  0.00           C
ATOM     66  C   ILE A   6      -4.644  -0.808  -0.378  1.00  0.00           C
ATOM     67  O   ILE A   6      -3.532  -0.335  -0.152  1.00  0.00           O
ATOM     68  CB  ILE A   6      -5.319  -3.047   0.670  1.00  0.00           C
ATOM     69  CG1 ILE A   6      -6.147  -3.696   1.782  1.00  0.00           C
ATOM     70  CG2 ILE A   6      -3.858  -3.497   0.704  1.00  0.00           C
ATOM     71  CD1 ILE A   6      -5.792  -5.176   1.936  1.00  0.00           C
ATOM      0  H   ILE A   6      -7.491  -1.863   0.767  1.00  0.00           H   new
ATOM      0  HA  ILE A   6      -4.972  -1.232   1.677  1.00  0.00           H   new
ATOM      0  HB  ILE A   6      -5.736  -3.383  -0.279  1.00  0.00           H   new
ATOM      0 HG12 ILE A   6      -5.970  -3.176   2.723  1.00  0.00           H   new
ATOM      0 HG13 ILE A   6      -7.209  -3.594   1.557  1.00  0.00           H   new
ATOM      0 HG21 ILE A   6      -3.811  -4.585   0.661  1.00  0.00           H   new
ATOM      0 HG22 ILE A   6      -3.328  -3.077  -0.151  1.00  0.00           H   new
ATOM      0 HG23 ILE A   6      -3.392  -3.150   1.626  1.00  0.00           H   new
ATOM      0 HD11 ILE A   6      -6.394  -5.614   2.732  1.00  0.00           H   new
ATOM      0 HD12 ILE A   6      -5.993  -5.698   1.000  1.00  0.00           H   new
ATOM      0 HD13 ILE A   6      -4.735  -5.273   2.185  1.00  0.00           H   new
ATOM     83  N   ALA A   7      -5.258  -0.755  -1.550  1.00  0.00           N
ATOM     84  CA  ALA A   7      -4.635  -0.107  -2.693  1.00  0.00           C
ATOM     85  C   ALA A   7      -4.069   1.247  -2.261  1.00  0.00           C
ATOM     86  O   ALA A   7      -2.953   1.604  -2.634  1.00  0.00           O
ATOM     87  CB  ALA A   7      -5.656   0.022  -3.825  1.00  0.00           C
ATOM      0  H   ALA A   7      -6.180  -1.150  -1.734  1.00  0.00           H   new
ATOM      0  HA  ALA A   7      -3.805  -0.706  -3.069  1.00  0.00           H   new
ATOM      0  HB1 ALA A   7      -5.190   0.508  -4.682  1.00  0.00           H   new
ATOM      0  HB2 ALA A   7      -6.005  -0.969  -4.115  1.00  0.00           H   new
ATOM      0  HB3 ALA A   7      -6.502   0.619  -3.486  1.00  0.00           H   new
ATOM     93  N   GLY A   8      -4.864   1.962  -1.480  1.00  0.00           N
ATOM     94  CA  GLY A   8      -4.457   3.269  -0.992  1.00  0.00           C
ATOM     95  C   GLY A   8      -3.260   3.152  -0.046  1.00  0.00           C
ATOM     96  O   GLY A   8      -2.441   4.065   0.042  1.00  0.00           O
ATOM      0  H   GLY A   8      -5.789   1.661  -1.172  1.00  0.00           H   new
ATOM      0  HA2 GLY A   8      -4.198   3.911  -1.834  1.00  0.00           H   new
ATOM      0  HA3 GLY A   8      -5.290   3.743  -0.473  1.00  0.00           H   new
ATOM    100  N   PHE A   9      -3.197   2.020   0.640  1.00  0.00           N
ATOM    101  CA  PHE A   9      -2.115   1.772   1.577  1.00  0.00           C
ATOM    102  C   PHE A   9      -0.836   1.366   0.842  1.00  0.00           C
ATOM    103  O   PHE A   9       0.266   1.549   1.358  1.00  0.00           O
ATOM    104  CB  PHE A   9      -2.559   0.619   2.479  1.00  0.00           C
ATOM    105  CG  PHE A   9      -2.089   0.746   3.930  1.00  0.00           C
ATOM    106  CD1 PHE A   9      -2.609   1.714   4.731  1.00  0.00           C
ATOM    107  CD2 PHE A   9      -1.150  -0.108   4.418  1.00  0.00           C
ATOM    108  CE1 PHE A   9      -2.173   1.832   6.076  1.00  0.00           C
ATOM    109  CE2 PHE A   9      -0.713   0.009   5.763  1.00  0.00           C
ATOM    110  CZ  PHE A   9      -1.235   0.977   6.565  1.00  0.00           C
ATOM      0  H   PHE A   9      -3.878   1.264   0.565  1.00  0.00           H   new
ATOM      0  HA  PHE A   9      -1.903   2.676   2.148  1.00  0.00           H   new
ATOM      0  HB2 PHE A   9      -3.647   0.559   2.465  1.00  0.00           H   new
ATOM      0  HB3 PHE A   9      -2.182  -0.317   2.067  1.00  0.00           H   new
ATOM      0  HD1 PHE A   9      -3.354   2.393   4.343  1.00  0.00           H   new
ATOM      0  HD2 PHE A   9      -0.736  -0.876   3.781  1.00  0.00           H   new
ATOM      0  HE1 PHE A   9      -2.586   2.601   6.712  1.00  0.00           H   new
ATOM      0  HE2 PHE A   9       0.033  -0.669   6.150  1.00  0.00           H   new
ATOM      0  HZ  PHE A   9      -0.904   1.066   7.589  1.00  0.00           H   new
ATOM    120  N   ILE A  10      -1.024   0.823  -0.351  1.00  0.00           N
ATOM    121  CA  ILE A  10       0.101   0.389  -1.162  1.00  0.00           C
ATOM    122  C   ILE A  10       1.042   1.573  -1.396  1.00  0.00           C
ATOM    123  O   ILE A  10       2.242   1.388  -1.588  1.00  0.00           O
ATOM    124  CB  ILE A  10      -0.392  -0.270  -2.452  1.00  0.00           C
ATOM    125  CG1 ILE A  10      -1.314  -1.452  -2.147  1.00  0.00           C
ATOM    126  CG2 ILE A  10       0.784  -0.676  -3.344  1.00  0.00           C
ATOM    127  CD1 ILE A  10      -1.514  -2.325  -3.387  1.00  0.00           C
ATOM      0  H   ILE A  10      -1.939   0.673  -0.776  1.00  0.00           H   new
ATOM      0  HA  ILE A  10       0.675  -0.376  -0.640  1.00  0.00           H   new
ATOM      0  HB  ILE A  10      -0.980   0.462  -3.006  1.00  0.00           H   new
ATOM      0 HG12 ILE A  10      -0.889  -2.051  -1.341  1.00  0.00           H   new
ATOM      0 HG13 ILE A  10      -2.279  -1.085  -1.797  1.00  0.00           H   new
ATOM      0 HG21 ILE A  10       0.406  -1.142  -4.254  1.00  0.00           H   new
ATOM      0 HG22 ILE A  10       1.366   0.208  -3.604  1.00  0.00           H   new
ATOM      0 HG23 ILE A  10       1.418  -1.384  -2.810  1.00  0.00           H   new
ATOM      0 HD11 ILE A  10      -2.173  -3.158  -3.143  1.00  0.00           H   new
ATOM      0 HD12 ILE A  10      -1.961  -1.729  -4.183  1.00  0.00           H   new
ATOM      0 HD13 ILE A  10      -0.550  -2.710  -3.720  1.00  0.00           H   new
ATOM    139  N   GLU A  11       0.460   2.763  -1.374  1.00  0.00           N
ATOM    140  CA  GLU A  11       1.231   3.977  -1.582  1.00  0.00           C
ATOM    141  C   GLU A  11       2.300   4.119  -0.496  1.00  0.00           C
ATOM    142  O   GLU A  11       3.285   4.833  -0.679  1.00  0.00           O
ATOM    143  CB  GLU A  11       0.321   5.206  -1.619  1.00  0.00           C
ATOM    144  CG  GLU A  11       0.001   5.695  -0.205  1.00  0.00           C
ATOM    145  CD  GLU A  11      -1.042   6.814  -0.235  1.00  0.00           C
ATOM    146  OE1 GLU A  11      -0.693   7.901  -0.742  1.00  0.00           O
ATOM    147  OE2 GLU A  11      -2.164   6.557   0.251  1.00  0.00           O
ATOM      0  H   GLU A  11      -0.536   2.912  -1.215  1.00  0.00           H   new
ATOM      0  HA  GLU A  11       1.729   3.906  -2.549  1.00  0.00           H   new
ATOM      0  HB2 GLU A  11       0.804   6.004  -2.183  1.00  0.00           H   new
ATOM      0  HB3 GLU A  11      -0.604   4.962  -2.141  1.00  0.00           H   new
ATOM      0  HG2 GLU A  11      -0.369   4.864   0.396  1.00  0.00           H   new
ATOM      0  HG3 GLU A  11       0.912   6.054   0.274  1.00  0.00           H   new
ATOM    154  N   ASN A  12       2.069   3.428   0.611  1.00  0.00           N
ATOM    155  CA  ASN A  12       2.999   3.468   1.726  1.00  0.00           C
ATOM    156  C   ASN A  12       3.648   2.093   1.893  1.00  0.00           C
ATOM    157  O   ASN A  12       4.821   1.995   2.254  1.00  0.00           O
ATOM    158  CB  ASN A  12       2.279   3.813   3.032  1.00  0.00           C
ATOM    159  CG  ASN A  12       2.341   5.317   3.311  1.00  0.00           C
ATOM    160  OD1 ASN A  12       3.300   5.996   2.983  1.00  0.00           O
ATOM    161  ND2 ASN A  12       1.266   5.795   3.932  1.00  0.00           N
ATOM      0  H   ASN A  12       1.251   2.837   0.759  1.00  0.00           H   new
ATOM      0  HA  ASN A  12       3.747   4.232   1.514  1.00  0.00           H   new
ATOM      0  HB2 ASN A  12       1.239   3.493   2.974  1.00  0.00           H   new
ATOM      0  HB3 ASN A  12       2.735   3.267   3.858  1.00  0.00           H   new
ATOM      0 HD21 ASN A  12       1.209   6.787   4.162  1.00  0.00           H   new
ATOM      0 HD22 ASN A  12       0.499   5.170   4.178  1.00  0.00           H   new
ATOM    168  N   ALA A  13       2.858   1.064   1.622  1.00  0.00           N
ATOM    169  CA  ALA A  13       3.341  -0.301   1.739  1.00  0.00           C
ATOM    170  C   ALA A  13       4.240  -0.623   0.543  1.00  0.00           C
ATOM    171  O   ALA A  13       4.970  -1.613   0.559  1.00  0.00           O
ATOM    172  CB  ALA A  13       2.151  -1.256   1.848  1.00  0.00           C
ATOM      0  H   ALA A  13       1.887   1.149   1.322  1.00  0.00           H   new
ATOM      0  HA  ALA A  13       3.939  -0.421   2.643  1.00  0.00           H   new
ATOM      0  HB1 ALA A  13       2.513  -2.280   1.936  1.00  0.00           H   new
ATOM      0  HB2 ALA A  13       1.561  -1.003   2.729  1.00  0.00           H   new
ATOM      0  HB3 ALA A  13       1.530  -1.166   0.957  1.00  0.00           H   new
ATOM    178  N   TRP A  14       4.157   0.232  -0.466  1.00  0.00           N
ATOM    179  CA  TRP A  14       4.953   0.051  -1.667  1.00  0.00           C
ATOM    180  C   TRP A  14       6.136   1.018  -1.600  1.00  0.00           C
ATOM    181  O   TRP A  14       7.261   0.609  -1.314  1.00  0.00           O
ATOM    182  CB  TRP A  14       4.100   0.237  -2.924  1.00  0.00           C
ATOM    183  CG  TRP A  14       4.779  -0.233  -4.212  1.00  0.00           C
ATOM    184  CD1 TRP A  14       5.805  -1.084  -4.340  1.00  0.00           C
ATOM    185  CD2 TRP A  14       4.435   0.160  -5.558  1.00  0.00           C
ATOM    186  NE1 TRP A  14       6.147  -1.268  -5.664  1.00  0.00           N
ATOM    187  CE2 TRP A  14       5.287  -0.487  -6.428  1.00  0.00           C
ATOM    188  CE3 TRP A  14       3.436   1.033  -6.024  1.00  0.00           C
ATOM    189  CZ2 TRP A  14       5.228  -0.331  -7.818  1.00  0.00           C
ATOM    190  CZ3 TRP A  14       3.391   1.180  -7.415  1.00  0.00           C
ATOM    191  CH2 TRP A  14       4.241   0.535  -8.305  1.00  0.00           C
ATOM      0  H   TRP A  14       3.550   1.052  -0.476  1.00  0.00           H   new
ATOM      0  HA  TRP A  14       5.338  -0.967  -1.724  1.00  0.00           H   new
ATOM      0  HB2 TRP A  14       3.164  -0.307  -2.799  1.00  0.00           H   new
ATOM      0  HB3 TRP A  14       3.844   1.292  -3.024  1.00  0.00           H   new
ATOM      0  HD1 TRP A  14       6.302  -1.566  -3.511  1.00  0.00           H   new
ATOM      0  HE1 TRP A  14       6.893  -1.867  -6.017  1.00  0.00           H   new
ATOM      0  HE3 TRP A  14       2.757   1.549  -5.361  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  14       5.907  -0.850  -8.479  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  14       2.643   1.842  -7.826  1.00  0.00           H   new
ATOM      0  HH2 TRP A  14       4.141   0.701  -9.368  1.00  0.00           H   new
ATOM    202  N   GLU A  15       5.843   2.282  -1.868  1.00  0.00           N
ATOM    203  CA  GLU A  15       6.869   3.310  -1.841  1.00  0.00           C
ATOM    204  C   GLU A  15       7.848   3.054  -0.694  1.00  0.00           C
ATOM    205  O   GLU A  15       9.037   3.350  -0.810  1.00  0.00           O
ATOM    206  CB  GLU A  15       6.246   4.704  -1.729  1.00  0.00           C
ATOM    207  CG  GLU A  15       5.427   5.039  -2.977  1.00  0.00           C
ATOM    208  CD  GLU A  15       6.017   6.244  -3.712  1.00  0.00           C
ATOM    209  OE1 GLU A  15       7.006   6.032  -4.447  1.00  0.00           O
ATOM    210  OE2 GLU A  15       5.466   7.350  -3.524  1.00  0.00           O
ATOM      0  H   GLU A  15       4.909   2.617  -2.105  1.00  0.00           H   new
ATOM      0  HA  GLU A  15       7.421   3.269  -2.780  1.00  0.00           H   new
ATOM      0  HB2 GLU A  15       5.607   4.751  -0.847  1.00  0.00           H   new
ATOM      0  HB3 GLU A  15       7.031   5.448  -1.594  1.00  0.00           H   new
ATOM      0  HG2 GLU A  15       5.404   4.177  -3.644  1.00  0.00           H   new
ATOM      0  HG3 GLU A  15       4.396   5.250  -2.694  1.00  0.00           H   new
ATOM    217  N   GLY A  16       7.314   2.506   0.387  1.00  0.00           N
ATOM    218  CA  GLY A  16       8.125   2.206   1.554  1.00  0.00           C
ATOM    219  C   GLY A  16       9.207   1.177   1.220  1.00  0.00           C
ATOM    220  O   GLY A  16      10.394   1.430   1.421  1.00  0.00           O
ATOM      0  H   GLY A  16       6.328   2.262   0.479  1.00  0.00           H   new
ATOM      0  HA2 GLY A  16       8.589   3.120   1.923  1.00  0.00           H   new
ATOM      0  HA3 GLY A  16       7.490   1.825   2.354  1.00  0.00           H   new
ATOM    224  N   MET A  17       8.758   0.036   0.716  1.00  0.00           N
ATOM    225  CA  MET A  17       9.672  -1.033   0.352  1.00  0.00           C
ATOM    226  C   MET A  17      10.532  -0.633  -0.849  1.00  0.00           C
ATOM    227  O   MET A  17      11.475  -1.340  -1.204  1.00  0.00           O
ATOM    228  CB  MET A  17       8.875  -2.294   0.012  1.00  0.00           C
ATOM    229  CG  MET A  17       8.009  -2.077  -1.230  1.00  0.00           C
ATOM    230  SD  MET A  17       7.797  -3.619  -2.104  1.00  0.00           S
ATOM    231  CE  MET A  17       9.458  -3.860  -2.711  1.00  0.00           C
ATOM      0  H   MET A  17       7.773  -0.171   0.551  1.00  0.00           H   new
ATOM      0  HA  MET A  17      10.330  -1.227   1.199  1.00  0.00           H   new
ATOM      0  HB2 MET A  17       9.559  -3.126  -0.158  1.00  0.00           H   new
ATOM      0  HB3 MET A  17       8.243  -2.568   0.857  1.00  0.00           H   new
ATOM      0  HG2 MET A  17       7.037  -1.677  -0.940  1.00  0.00           H   new
ATOM      0  HG3 MET A  17       8.475  -1.340  -1.884  1.00  0.00           H   new
ATOM      0  HE1 MET A  17       9.423  -4.363  -3.678  1.00  0.00           H   new
ATOM      0  HE2 MET A  17       9.949  -2.893  -2.822  1.00  0.00           H   new
ATOM      0  HE3 MET A  17      10.018  -4.472  -2.004  1.00  0.00           H   new
ATOM    241  N   ILE A  18      10.177   0.497  -1.441  1.00  0.00           N
ATOM    242  CA  ILE A  18      10.903   0.998  -2.595  1.00  0.00           C
ATOM    243  C   ILE A  18      12.039   1.908  -2.121  1.00  0.00           C
ATOM    244  O   ILE A  18      13.082   1.994  -2.768  1.00  0.00           O
ATOM    245  CB  ILE A  18       9.947   1.673  -3.580  1.00  0.00           C
ATOM    246  CG1 ILE A  18       8.902   0.680  -4.096  1.00  0.00           C
ATOM    247  CG2 ILE A  18      10.716   2.339  -4.722  1.00  0.00           C
ATOM    248  CD1 ILE A  18       7.851   1.387  -4.954  1.00  0.00           C
ATOM      0  H   ILE A  18       9.395   1.081  -1.143  1.00  0.00           H   new
ATOM      0  HA  ILE A  18      11.359   0.174  -3.144  1.00  0.00           H   new
ATOM      0  HB  ILE A  18       9.411   2.461  -3.051  1.00  0.00           H   new
ATOM      0 HG12 ILE A  18       9.392  -0.097  -4.682  1.00  0.00           H   new
ATOM      0 HG13 ILE A  18       8.417   0.186  -3.254  1.00  0.00           H   new
ATOM      0 HG21 ILE A  18      10.012   2.811  -5.408  1.00  0.00           H   new
ATOM      0 HG22 ILE A  18      11.389   3.094  -4.316  1.00  0.00           H   new
ATOM      0 HG23 ILE A  18      11.295   1.587  -5.258  1.00  0.00           H   new
ATOM      0 HD11 ILE A  18       7.121   0.659  -5.308  1.00  0.00           H   new
ATOM      0 HD12 ILE A  18       7.346   2.147  -4.358  1.00  0.00           H   new
ATOM      0 HD13 ILE A  18       8.336   1.859  -5.808  1.00  0.00           H   new
ATOM    260  N   ASP A  19      11.799   2.563  -0.995  1.00  0.00           N
ATOM    261  CA  ASP A  19      12.788   3.463  -0.426  1.00  0.00           C
ATOM    262  C   ASP A  19      12.726   3.383   1.100  1.00  0.00           C
ATOM    263  O   ASP A  19      12.127   4.241   1.746  1.00  0.00           O
ATOM    264  CB  ASP A  19      12.514   4.912  -0.836  1.00  0.00           C
ATOM    265  CG  ASP A  19      13.419   5.452  -1.945  1.00  0.00           C
ATOM    266  OD1 ASP A  19      13.092   5.188  -3.123  1.00  0.00           O
ATOM    267  OD2 ASP A  19      14.416   6.117  -1.590  1.00  0.00           O
ATOM      0  H   ASP A  19      10.933   2.488  -0.461  1.00  0.00           H   new
ATOM      0  HA  ASP A  19      13.769   3.163  -0.795  1.00  0.00           H   new
ATOM      0  HB2 ASP A  19      11.477   4.991  -1.163  1.00  0.00           H   new
ATOM      0  HB3 ASP A  19      12.621   5.549   0.042  1.00  0.00           H   new
ATOM    272  N   GLY A  20      13.353   2.344   1.632  1.00  0.00           N
ATOM    273  CA  GLY A  20      13.377   2.141   3.071  1.00  0.00           C
ATOM    274  C   GLY A  20      13.967   3.358   3.787  1.00  0.00           C
ATOM    275  O   GLY A  20      13.796   3.515   4.994  1.00  0.00           O
ATOM      0  H   GLY A  20      13.848   1.634   1.093  1.00  0.00           H   new
ATOM      0  HA2 GLY A  20      12.365   1.957   3.433  1.00  0.00           H   new
ATOM      0  HA3 GLY A  20      13.966   1.255   3.307  1.00  0.00           H   new
TER     279      GLY A  20