USER  MOD reduce.3.24.130724 H: found=0, std=0, add=132, rem=0, adj=1
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+   -165:sc= -0.0535   (180deg=-0.352)
USER  MOD Single : A  12 ASN     :      amide:sc=  -0.165  K(o=-0.17,f=-2!)
USER  MOD Single : A  17 MET CE  :methyl  180:sc=       0   (180deg=0)
USER  MOD -----------------------------------------------------------------
ATOM      1  N   GLY A   1     -14.773  -3.383   0.949  1.00  0.00           N
ATOM      2  CA  GLY A   1     -14.376  -1.986   0.925  1.00  0.00           C
ATOM      3  C   GLY A   1     -12.950  -1.812   1.450  1.00  0.00           C
ATOM      4  O   GLY A   1     -12.254  -0.871   1.070  1.00  0.00           O
ATOM      0  H1  GLY A   1     -15.624  -3.512   0.365  1.00  0.00           H   new
ATOM      0  H2  GLY A   1     -14.002  -3.970   0.571  1.00  0.00           H   new
ATOM      0  H3  GLY A   1     -14.978  -3.669   1.928  1.00  0.00           H   new
ATOM      0  HA2 GLY A   1     -14.442  -1.603  -0.093  1.00  0.00           H   new
ATOM      0  HA3 GLY A   1     -15.065  -1.398   1.532  1.00  0.00           H   new
ATOM      8  N   LEU A   2     -12.555  -2.735   2.315  1.00  0.00           N
ATOM      9  CA  LEU A   2     -11.224  -2.697   2.895  1.00  0.00           C
ATOM     10  C   LEU A   2     -10.204  -3.165   1.856  1.00  0.00           C
ATOM     11  O   LEU A   2      -9.199  -2.496   1.620  1.00  0.00           O
ATOM     12  CB  LEU A   2     -11.185  -3.496   4.200  1.00  0.00           C
ATOM     13  CG  LEU A   2     -10.213  -2.990   5.268  1.00  0.00           C
ATOM     14  CD1 LEU A   2     -10.604  -1.591   5.745  1.00  0.00           C
ATOM     15  CD2 LEU A   2     -10.108  -3.982   6.428  1.00  0.00           C
ATOM      0  H   LEU A   2     -13.134  -3.514   2.628  1.00  0.00           H   new
ATOM      0  HA  LEU A   2     -10.956  -1.676   3.165  1.00  0.00           H   new
ATOM      0  HB2 LEU A   2     -12.188  -3.507   4.626  1.00  0.00           H   new
ATOM      0  HB3 LEU A   2     -10.928  -4.528   3.963  1.00  0.00           H   new
ATOM      0  HG  LEU A   2      -9.222  -2.913   4.820  1.00  0.00           H   new
ATOM      0 HD11 LEU A   2      -9.897  -1.255   6.504  1.00  0.00           H   new
ATOM      0 HD12 LEU A   2     -10.587  -0.901   4.901  1.00  0.00           H   new
ATOM      0 HD13 LEU A   2     -11.607  -1.619   6.170  1.00  0.00           H   new
ATOM      0 HD21 LEU A   2      -9.411  -3.598   7.173  1.00  0.00           H   new
ATOM      0 HD22 LEU A   2     -11.089  -4.114   6.883  1.00  0.00           H   new
ATOM      0 HD23 LEU A   2      -9.749  -4.941   6.055  1.00  0.00           H   new
ATOM     27  N   PHE A   3     -10.498  -4.313   1.261  1.00  0.00           N
ATOM     28  CA  PHE A   3      -9.620  -4.880   0.252  1.00  0.00           C
ATOM     29  C   PHE A   3      -9.378  -3.884  -0.885  1.00  0.00           C
ATOM     30  O   PHE A   3      -8.379  -3.982  -1.597  1.00  0.00           O
ATOM     31  CB  PHE A   3     -10.324  -6.115  -0.310  1.00  0.00           C
ATOM     32  CG  PHE A   3      -9.380  -7.273  -0.640  1.00  0.00           C
ATOM     33  CD1 PHE A   3      -8.778  -7.335  -1.859  1.00  0.00           C
ATOM     34  CD2 PHE A   3      -9.141  -8.241   0.285  1.00  0.00           C
ATOM     35  CE1 PHE A   3      -7.903  -8.410  -2.165  1.00  0.00           C
ATOM     36  CE2 PHE A   3      -8.264  -9.315  -0.021  1.00  0.00           C
ATOM     37  CZ  PHE A   3      -7.664  -9.377  -1.238  1.00  0.00           C
ATOM      0  H   PHE A   3     -11.332  -4.865   1.459  1.00  0.00           H   new
ATOM      0  HA  PHE A   3      -8.655  -5.128   0.694  1.00  0.00           H   new
ATOM      0  HB2 PHE A   3     -11.065  -6.458   0.412  1.00  0.00           H   new
ATOM      0  HB3 PHE A   3     -10.866  -5.833  -1.213  1.00  0.00           H   new
ATOM      0  HD1 PHE A   3      -8.966  -6.566  -2.594  1.00  0.00           H   new
ATOM      0  HD2 PHE A   3      -9.618  -8.193   1.253  1.00  0.00           H   new
ATOM      0  HE1 PHE A   3      -7.427  -8.460  -3.133  1.00  0.00           H   new
ATOM      0  HE2 PHE A   3      -8.074 -10.083   0.714  1.00  0.00           H   new
ATOM      0  HZ  PHE A   3      -6.997 -10.194  -1.470  1.00  0.00           H   new
ATOM     47  N   GLY A   4     -10.308  -2.949  -1.019  1.00  0.00           N
ATOM     48  CA  GLY A   4     -10.207  -1.937  -2.057  1.00  0.00           C
ATOM     49  C   GLY A   4      -9.422  -0.721  -1.562  1.00  0.00           C
ATOM     50  O   GLY A   4      -8.905   0.056  -2.363  1.00  0.00           O
ATOM      0  H   GLY A   4     -11.134  -2.871  -0.426  1.00  0.00           H   new
ATOM      0  HA2 GLY A   4      -9.716  -2.359  -2.934  1.00  0.00           H   new
ATOM      0  HA3 GLY A   4     -11.205  -1.628  -2.367  1.00  0.00           H   new
ATOM     54  N   ALA A   5      -9.357  -0.594  -0.245  1.00  0.00           N
ATOM     55  CA  ALA A   5      -8.645   0.515   0.366  1.00  0.00           C
ATOM     56  C   ALA A   5      -7.154   0.179   0.439  1.00  0.00           C
ATOM     57  O   ALA A   5      -6.311   1.075   0.438  1.00  0.00           O
ATOM     58  CB  ALA A   5      -9.244   0.812   1.743  1.00  0.00           C
ATOM      0  H   ALA A   5      -9.786  -1.241   0.416  1.00  0.00           H   new
ATOM      0  HA  ALA A   5      -8.751   1.417  -0.236  1.00  0.00           H   new
ATOM      0  HB1 ALA A   5      -8.709   1.644   2.201  1.00  0.00           H   new
ATOM      0  HB2 ALA A   5     -10.296   1.074   1.633  1.00  0.00           H   new
ATOM      0  HB3 ALA A   5      -9.154  -0.070   2.377  1.00  0.00           H   new
ATOM     64  N   ILE A   6      -6.875  -1.115   0.503  1.00  0.00           N
ATOM     65  CA  ILE A   6      -5.500  -1.580   0.577  1.00  0.00           C
ATOM     66  C   ILE A   6      -4.651  -0.816  -0.441  1.00  0.00           C
ATOM     67  O   ILE A   6      -3.543  -0.382  -0.130  1.00  0.00           O
ATOM     68  CB  ILE A   6      -5.439  -3.100   0.410  1.00  0.00           C
ATOM     69  CG1 ILE A   6      -6.333  -3.800   1.435  1.00  0.00           C
ATOM     70  CG2 ILE A   6      -3.996  -3.601   0.471  1.00  0.00           C
ATOM     71  CD1 ILE A   6      -6.030  -5.299   1.495  1.00  0.00           C
ATOM      0  H   ILE A   6      -7.577  -1.855   0.505  1.00  0.00           H   new
ATOM      0  HA  ILE A   6      -5.081  -1.373   1.562  1.00  0.00           H   new
ATOM      0  HB  ILE A   6      -5.825  -3.351  -0.578  1.00  0.00           H   new
ATOM      0 HG12 ILE A   6      -6.182  -3.355   2.419  1.00  0.00           H   new
ATOM      0 HG13 ILE A   6      -7.380  -3.647   1.174  1.00  0.00           H   new
ATOM      0 HG21 ILE A   6      -3.981  -4.684   0.350  1.00  0.00           H   new
ATOM      0 HG22 ILE A   6      -3.416  -3.139  -0.328  1.00  0.00           H   new
ATOM      0 HG23 ILE A   6      -3.560  -3.338   1.435  1.00  0.00           H   new
ATOM      0 HD11 ILE A   6      -6.679  -5.772   2.231  1.00  0.00           H   new
ATOM      0 HD12 ILE A   6      -6.206  -5.745   0.516  1.00  0.00           H   new
ATOM      0 HD13 ILE A   6      -4.989  -5.449   1.780  1.00  0.00           H   new
ATOM     83  N   ALA A   7      -5.205  -0.674  -1.636  1.00  0.00           N
ATOM     84  CA  ALA A   7      -4.512   0.031  -2.702  1.00  0.00           C
ATOM     85  C   ALA A   7      -3.948   1.344  -2.157  1.00  0.00           C
ATOM     86  O   ALA A   7      -2.812   1.708  -2.456  1.00  0.00           O
ATOM     87  CB  ALA A   7      -5.469   0.250  -3.876  1.00  0.00           C
ATOM      0  H   ALA A   7      -6.125  -1.035  -1.890  1.00  0.00           H   new
ATOM      0  HA  ALA A   7      -3.674  -0.560  -3.071  1.00  0.00           H   new
ATOM      0  HB1 ALA A   7      -4.949   0.779  -4.675  1.00  0.00           H   new
ATOM      0  HB2 ALA A   7      -5.818  -0.714  -4.246  1.00  0.00           H   new
ATOM      0  HB3 ALA A   7      -6.322   0.842  -3.544  1.00  0.00           H   new
ATOM     93  N   GLY A   8      -4.768   2.021  -1.365  1.00  0.00           N
ATOM     94  CA  GLY A   8      -4.365   3.285  -0.775  1.00  0.00           C
ATOM     95  C   GLY A   8      -3.219   3.087   0.219  1.00  0.00           C
ATOM     96  O   GLY A   8      -2.393   3.979   0.406  1.00  0.00           O
ATOM      0  H   GLY A   8      -5.710   1.717  -1.119  1.00  0.00           H   new
ATOM      0  HA2 GLY A   8      -4.055   3.974  -1.560  1.00  0.00           H   new
ATOM      0  HA3 GLY A   8      -5.215   3.741  -0.268  1.00  0.00           H   new
ATOM    100  N   PHE A   9      -3.206   1.912   0.831  1.00  0.00           N
ATOM    101  CA  PHE A   9      -2.174   1.585   1.801  1.00  0.00           C
ATOM    102  C   PHE A   9      -0.867   1.202   1.103  1.00  0.00           C
ATOM    103  O   PHE A   9       0.210   1.331   1.683  1.00  0.00           O
ATOM    104  CB  PHE A   9      -2.681   0.385   2.603  1.00  0.00           C
ATOM    105  CG  PHE A   9      -1.817   0.041   3.819  1.00  0.00           C
ATOM    106  CD1 PHE A   9      -1.443   1.020   4.686  1.00  0.00           C
ATOM    107  CD2 PHE A   9      -1.423  -1.244   4.032  1.00  0.00           C
ATOM    108  CE1 PHE A   9      -0.642   0.700   5.814  1.00  0.00           C
ATOM    109  CE2 PHE A   9      -0.621  -1.563   5.159  1.00  0.00           C
ATOM    110  CZ  PHE A   9      -0.247  -0.585   6.027  1.00  0.00           C
ATOM      0  H   PHE A   9      -3.893   1.175   0.674  1.00  0.00           H   new
ATOM      0  HA  PHE A   9      -1.975   2.446   2.438  1.00  0.00           H   new
ATOM      0  HB2 PHE A   9      -3.698   0.588   2.938  1.00  0.00           H   new
ATOM      0  HB3 PHE A   9      -2.729  -0.484   1.947  1.00  0.00           H   new
ATOM      0  HD1 PHE A   9      -1.755   2.040   4.517  1.00  0.00           H   new
ATOM      0  HD2 PHE A   9      -1.720  -2.021   3.344  1.00  0.00           H   new
ATOM      0  HE1 PHE A   9      -0.346   1.477   6.503  1.00  0.00           H   new
ATOM      0  HE2 PHE A   9      -0.308  -2.583   5.327  1.00  0.00           H   new
ATOM      0  HZ  PHE A   9       0.363  -0.828   6.885  1.00  0.00           H   new
ATOM    120  N   ILE A  10      -1.006   0.740  -0.131  1.00  0.00           N
ATOM    121  CA  ILE A  10       0.151   0.338  -0.912  1.00  0.00           C
ATOM    122  C   ILE A  10       1.120   1.516  -1.025  1.00  0.00           C
ATOM    123  O   ILE A  10       2.326   1.321  -1.170  1.00  0.00           O
ATOM    124  CB  ILE A  10      -0.287  -0.228  -2.265  1.00  0.00           C
ATOM    125  CG1 ILE A  10      -1.242  -1.410  -2.081  1.00  0.00           C
ATOM    126  CG2 ILE A  10       0.924  -0.599  -3.123  1.00  0.00           C
ATOM    127  CD1 ILE A  10      -1.396  -2.199  -3.383  1.00  0.00           C
ATOM      0  H   ILE A  10      -1.901   0.635  -0.609  1.00  0.00           H   new
ATOM      0  HA  ILE A  10       0.686  -0.469  -0.411  1.00  0.00           H   new
ATOM      0  HB  ILE A  10      -0.834   0.549  -2.799  1.00  0.00           H   new
ATOM      0 HG12 ILE A  10      -0.867  -2.067  -1.296  1.00  0.00           H   new
ATOM      0 HG13 ILE A  10      -2.216  -1.047  -1.754  1.00  0.00           H   new
ATOM      0 HG21 ILE A  10       0.584  -0.999  -4.079  1.00  0.00           H   new
ATOM      0 HG22 ILE A  10       1.533   0.288  -3.297  1.00  0.00           H   new
ATOM      0 HG23 ILE A  10       1.519  -1.352  -2.606  1.00  0.00           H   new
ATOM      0 HD11 ILE A  10      -2.080  -3.033  -3.224  1.00  0.00           H   new
ATOM      0 HD12 ILE A  10      -1.794  -1.546  -4.159  1.00  0.00           H   new
ATOM      0 HD13 ILE A  10      -0.424  -2.581  -3.694  1.00  0.00           H   new
ATOM    139  N   GLU A  11       0.557   2.713  -0.954  1.00  0.00           N
ATOM    140  CA  GLU A  11       1.356   3.923  -1.045  1.00  0.00           C
ATOM    141  C   GLU A  11       2.372   3.977   0.097  1.00  0.00           C
ATOM    142  O   GLU A  11       3.375   4.682   0.008  1.00  0.00           O
ATOM    143  CB  GLU A  11       0.468   5.168  -1.047  1.00  0.00           C
ATOM    144  CG  GLU A  11       0.085   5.571   0.378  1.00  0.00           C
ATOM    145  CD  GLU A  11      -0.933   6.714   0.371  1.00  0.00           C
ATOM    146  OE1 GLU A  11      -1.003   7.405  -0.669  1.00  0.00           O
ATOM    147  OE2 GLU A  11      -1.620   6.870   1.404  1.00  0.00           O
ATOM      0  H   GLU A  11      -0.444   2.871  -0.834  1.00  0.00           H   new
ATOM      0  HA  GLU A  11       1.901   3.904  -1.989  1.00  0.00           H   new
ATOM      0  HB2 GLU A  11       0.991   5.991  -1.533  1.00  0.00           H   new
ATOM      0  HB3 GLU A  11      -0.433   4.975  -1.629  1.00  0.00           H   new
ATOM      0  HG2 GLU A  11      -0.332   4.712   0.903  1.00  0.00           H   new
ATOM      0  HG3 GLU A  11       0.977   5.877   0.925  1.00  0.00           H   new
ATOM    154  N   ASN A  12       2.076   3.221   1.145  1.00  0.00           N
ATOM    155  CA  ASN A  12       2.951   3.172   2.304  1.00  0.00           C
ATOM    156  C   ASN A  12       3.570   1.778   2.413  1.00  0.00           C
ATOM    157  O   ASN A  12       4.721   1.636   2.823  1.00  0.00           O
ATOM    158  CB  ASN A  12       2.173   3.447   3.592  1.00  0.00           C
ATOM    159  CG  ASN A  12       2.181   4.939   3.930  1.00  0.00           C
ATOM    160  OD1 ASN A  12       3.063   5.686   3.540  1.00  0.00           O
ATOM    161  ND2 ASN A  12       1.150   5.330   4.674  1.00  0.00           N
ATOM      0  H   ASN A  12       1.242   2.638   1.215  1.00  0.00           H   new
ATOM      0  HA  ASN A  12       3.721   3.933   2.178  1.00  0.00           H   new
ATOM      0  HB2 ASN A  12       1.145   3.101   3.481  1.00  0.00           H   new
ATOM      0  HB3 ASN A  12       2.612   2.882   4.414  1.00  0.00           H   new
ATOM      0 HD21 ASN A  12       1.063   6.308   4.952  1.00  0.00           H   new
ATOM      0 HD22 ASN A  12       0.446   4.652   4.967  1.00  0.00           H   new
ATOM    168  N   ALA A  13       2.778   0.783   2.039  1.00  0.00           N
ATOM    169  CA  ALA A  13       3.234  -0.596   2.090  1.00  0.00           C
ATOM    170  C   ALA A  13       4.185  -0.858   0.921  1.00  0.00           C
ATOM    171  O   ALA A  13       4.898  -1.859   0.908  1.00  0.00           O
ATOM    172  CB  ALA A  13       2.025  -1.534   2.079  1.00  0.00           C
ATOM      0  H   ALA A  13       1.824   0.905   1.700  1.00  0.00           H   new
ATOM      0  HA  ALA A  13       3.785  -0.784   3.012  1.00  0.00           H   new
ATOM      0  HB1 ALA A  13       2.367  -2.568   2.117  1.00  0.00           H   new
ATOM      0  HB2 ALA A  13       1.396  -1.327   2.945  1.00  0.00           H   new
ATOM      0  HB3 ALA A  13       1.450  -1.375   1.167  1.00  0.00           H   new
ATOM    178  N   TRP A  14       4.165   0.061  -0.034  1.00  0.00           N
ATOM    179  CA  TRP A  14       5.017  -0.057  -1.206  1.00  0.00           C
ATOM    180  C   TRP A  14       6.211   0.881  -1.019  1.00  0.00           C
ATOM    181  O   TRP A  14       7.313   0.435  -0.706  1.00  0.00           O
ATOM    182  CB  TRP A  14       4.229   0.225  -2.486  1.00  0.00           C
ATOM    183  CG  TRP A  14       4.963  -0.175  -3.768  1.00  0.00           C
ATOM    184  CD1 TRP A  14       5.982  -1.035  -3.902  1.00  0.00           C
ATOM    185  CD2 TRP A  14       4.692   0.309  -5.101  1.00  0.00           C
ATOM    186  NE1 TRP A  14       6.385  -1.141  -5.218  1.00  0.00           N
ATOM    187  CE2 TRP A  14       5.575  -0.298  -5.969  1.00  0.00           C
ATOM    188  CE3 TRP A  14       3.731   1.229  -5.557  1.00  0.00           C
ATOM    189  CZ2 TRP A  14       5.586  -0.050  -7.348  1.00  0.00           C
ATOM    190  CZ3 TRP A  14       3.755   1.465  -6.937  1.00  0.00           C
ATOM    191  CH2 TRP A  14       4.639   0.862  -7.824  1.00  0.00           C
ATOM      0  H   TRP A  14       3.572   0.891  -0.020  1.00  0.00           H   new
ATOM      0  HA  TRP A  14       5.389  -1.076  -1.312  1.00  0.00           H   new
ATOM      0  HB2 TRP A  14       3.280  -0.309  -2.441  1.00  0.00           H   new
ATOM      0  HB3 TRP A  14       3.995   1.289  -2.530  1.00  0.00           H   new
ATOM      0  HD1 TRP A  14       6.431  -1.577  -3.083  1.00  0.00           H   new
ATOM      0  HE1 TRP A  14       7.138  -1.730  -5.574  1.00  0.00           H   new
ATOM      0  HE3 TRP A  14       3.030   1.715  -4.895  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  14       6.288  -0.537  -8.008  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  14       3.037   2.164  -7.340  1.00  0.00           H   new
ATOM      0  HH2 TRP A  14       4.595   1.097  -8.877  1.00  0.00           H   new
ATOM    202  N   GLU A  15       5.950   2.165  -1.219  1.00  0.00           N
ATOM    203  CA  GLU A  15       6.989   3.170  -1.076  1.00  0.00           C
ATOM    204  C   GLU A  15       7.907   2.823   0.097  1.00  0.00           C
ATOM    205  O   GLU A  15       9.126   2.956  -0.003  1.00  0.00           O
ATOM    206  CB  GLU A  15       6.383   4.565  -0.905  1.00  0.00           C
ATOM    207  CG  GLU A  15       7.466   5.644  -0.966  1.00  0.00           C
ATOM    208  CD  GLU A  15       6.845   7.041  -1.045  1.00  0.00           C
ATOM    209  OE1 GLU A  15       5.599   7.102  -1.127  1.00  0.00           O
ATOM    210  OE2 GLU A  15       7.629   8.012  -1.022  1.00  0.00           O
ATOM      0  H   GLU A  15       5.034   2.532  -1.479  1.00  0.00           H   new
ATOM      0  HA  GLU A  15       7.586   3.179  -1.988  1.00  0.00           H   new
ATOM      0  HB2 GLU A  15       5.643   4.742  -1.686  1.00  0.00           H   new
ATOM      0  HB3 GLU A  15       5.859   4.624   0.049  1.00  0.00           H   new
ATOM      0  HG2 GLU A  15       8.103   5.575  -0.084  1.00  0.00           H   new
ATOM      0  HG3 GLU A  15       8.103   5.476  -1.834  1.00  0.00           H   new
ATOM    217  N   GLY A  16       7.287   2.385   1.183  1.00  0.00           N
ATOM    218  CA  GLY A  16       8.033   2.017   2.374  1.00  0.00           C
ATOM    219  C   GLY A  16       8.893   0.778   2.122  1.00  0.00           C
ATOM    220  O   GLY A  16      10.072   0.754   2.473  1.00  0.00           O
ATOM      0  H   GLY A  16       6.276   2.277   1.263  1.00  0.00           H   new
ATOM      0  HA2 GLY A  16       8.668   2.848   2.681  1.00  0.00           H   new
ATOM      0  HA3 GLY A  16       7.342   1.824   3.195  1.00  0.00           H   new
ATOM    224  N   MET A  17       8.270  -0.222   1.515  1.00  0.00           N
ATOM    225  CA  MET A  17       8.965  -1.462   1.211  1.00  0.00           C
ATOM    226  C   MET A  17      10.043  -1.241   0.148  1.00  0.00           C
ATOM    227  O   MET A  17      10.844  -2.134  -0.125  1.00  0.00           O
ATOM    228  CB  MET A  17       7.960  -2.501   0.711  1.00  0.00           C
ATOM    229  CG  MET A  17       8.675  -3.689   0.065  1.00  0.00           C
ATOM    230  SD  MET A  17       7.543  -5.056  -0.122  1.00  0.00           S
ATOM    231  CE  MET A  17       7.620  -5.283  -1.891  1.00  0.00           C
ATOM      0  H   MET A  17       7.292  -0.199   1.226  1.00  0.00           H   new
ATOM      0  HA  MET A  17       9.447  -1.818   2.121  1.00  0.00           H   new
ATOM      0  HB2 MET A  17       7.347  -2.849   1.543  1.00  0.00           H   new
ATOM      0  HB3 MET A  17       7.285  -2.041  -0.011  1.00  0.00           H   new
ATOM      0  HG2 MET A  17       9.072  -3.400  -0.908  1.00  0.00           H   new
ATOM      0  HG3 MET A  17       9.524  -3.991   0.679  1.00  0.00           H   new
ATOM      0  HE1 MET A  17       6.966  -6.105  -2.181  1.00  0.00           H   new
ATOM      0  HE2 MET A  17       7.297  -4.369  -2.390  1.00  0.00           H   new
ATOM      0  HE3 MET A  17       8.644  -5.513  -2.184  1.00  0.00           H   new
ATOM    241  N   ILE A  18      10.029  -0.046  -0.424  1.00  0.00           N
ATOM    242  CA  ILE A  18      10.994   0.305  -1.452  1.00  0.00           C
ATOM    243  C   ILE A  18      12.177   1.031  -0.807  1.00  0.00           C
ATOM    244  O   ILE A  18      13.327   0.808  -1.183  1.00  0.00           O
ATOM    245  CB  ILE A  18      10.321   1.100  -2.572  1.00  0.00           C
ATOM    246  CG1 ILE A  18       9.164   0.309  -3.186  1.00  0.00           C
ATOM    247  CG2 ILE A  18      11.341   1.535  -3.626  1.00  0.00           C
ATOM    248  CD1 ILE A  18       9.656  -0.591  -4.320  1.00  0.00           C
ATOM      0  H   ILE A  18       9.364   0.692  -0.195  1.00  0.00           H   new
ATOM      0  HA  ILE A  18      11.389  -0.594  -1.926  1.00  0.00           H   new
ATOM      0  HB  ILE A  18       9.898   2.007  -2.140  1.00  0.00           H   new
ATOM      0 HG12 ILE A  18       8.685  -0.298  -2.417  1.00  0.00           H   new
ATOM      0 HG13 ILE A  18       8.409   0.998  -3.565  1.00  0.00           H   new
ATOM      0 HG21 ILE A  18      10.836   2.098  -4.411  1.00  0.00           H   new
ATOM      0 HG22 ILE A  18      12.100   2.163  -3.160  1.00  0.00           H   new
ATOM      0 HG23 ILE A  18      11.815   0.654  -4.059  1.00  0.00           H   new
ATOM      0 HD11 ILE A  18       8.814  -1.142  -4.739  1.00  0.00           H   new
ATOM      0 HD12 ILE A  18      10.112   0.021  -5.098  1.00  0.00           H   new
ATOM      0 HD13 ILE A  18      10.393  -1.294  -3.933  1.00  0.00           H   new
ATOM    260  N   ASP A  19      11.854   1.885   0.154  1.00  0.00           N
ATOM    261  CA  ASP A  19      12.875   2.644   0.854  1.00  0.00           C
ATOM    262  C   ASP A  19      13.926   3.123  -0.150  1.00  0.00           C
ATOM    263  O   ASP A  19      14.936   2.454  -0.362  1.00  0.00           O
ATOM    264  CB  ASP A  19      13.580   1.783   1.903  1.00  0.00           C
ATOM    265  CG  ASP A  19      12.986   1.863   3.311  1.00  0.00           C
ATOM    266  OD1 ASP A  19      11.812   2.280   3.409  1.00  0.00           O
ATOM    267  OD2 ASP A  19      13.720   1.506   4.258  1.00  0.00           O
ATOM      0  H   ASP A  19      10.899   2.067   0.464  1.00  0.00           H   new
ATOM      0  HA  ASP A  19      12.390   3.487   1.347  1.00  0.00           H   new
ATOM      0  HB2 ASP A  19      13.557   0.744   1.574  1.00  0.00           H   new
ATOM      0  HB3 ASP A  19      14.628   2.079   1.950  1.00  0.00           H   new