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= -0.0488   (180deg=-0.379)
USER  MOD Single : A  12 ASN     :      amide:sc=  -0.161  X(o=-0.16,f=-0.0029)
USER  MOD Single : A  17 MET CE  :methyl -177:sc=       0   (180deg=-0.0217)
USER  MOD -----------------------------------------------------------------
ATOM      1  N   GLY A   1     -14.710  -3.573   1.504  1.00  0.00           N
ATOM      2  CA  GLY A   1     -14.352  -2.172   1.362  1.00  0.00           C
ATOM      3  C   GLY A   1     -12.917  -1.923   1.829  1.00  0.00           C
ATOM      4  O   GLY A   1     -12.258  -0.996   1.359  1.00  0.00           O
ATOM      0  H1  GLY A   1     -15.592  -3.760   0.985  1.00  0.00           H   new
ATOM      0  H2  GLY A   1     -13.948  -4.167   1.118  1.00  0.00           H   new
ATOM      0  H3  GLY A   1     -14.846  -3.796   2.511  1.00  0.00           H   new
ATOM      0  HA2 GLY A   1     -14.457  -1.870   0.320  1.00  0.00           H   new
ATOM      0  HA3 GLY A   1     -15.039  -1.557   1.943  1.00  0.00           H   new
ATOM      8  N   LEU A   2     -12.473  -2.767   2.750  1.00  0.00           N
ATOM      9  CA  LEU A   2     -11.127  -2.650   3.285  1.00  0.00           C
ATOM     10  C   LEU A   2     -10.126  -3.169   2.253  1.00  0.00           C
ATOM     11  O   LEU A   2      -9.148  -2.492   1.938  1.00  0.00           O
ATOM     12  CB  LEU A   2     -11.029  -3.348   4.644  1.00  0.00           C
ATOM     13  CG  LEU A   2     -10.042  -2.738   5.641  1.00  0.00           C
ATOM     14  CD1 LEU A   2     -10.645  -1.513   6.331  1.00  0.00           C
ATOM     15  CD2 LEU A   2      -9.564  -3.785   6.649  1.00  0.00           C
ATOM      0  H   LEU A   2     -13.022  -3.534   3.139  1.00  0.00           H   new
ATOM      0  HA  LEU A   2     -10.880  -1.605   3.471  1.00  0.00           H   new
ATOM      0  HB2 LEU A   2     -12.019  -3.353   5.100  1.00  0.00           H   new
ATOM      0  HB3 LEU A   2     -10.750  -4.388   4.477  1.00  0.00           H   new
ATOM      0  HG  LEU A   2      -9.166  -2.398   5.089  1.00  0.00           H   new
ATOM      0 HD11 LEU A   2      -9.922  -1.099   7.034  1.00  0.00           H   new
ATOM      0 HD12 LEU A   2     -10.895  -0.761   5.583  1.00  0.00           H   new
ATOM      0 HD13 LEU A   2     -11.547  -1.805   6.868  1.00  0.00           H   new
ATOM      0 HD21 LEU A   2      -8.863  -3.326   7.346  1.00  0.00           H   new
ATOM      0 HD22 LEU A   2     -10.419  -4.177   7.199  1.00  0.00           H   new
ATOM      0 HD23 LEU A   2      -9.068  -4.599   6.120  1.00  0.00           H   new
ATOM     27  N   PHE A   3     -10.403  -4.365   1.756  1.00  0.00           N
ATOM     28  CA  PHE A   3      -9.537  -4.983   0.766  1.00  0.00           C
ATOM     29  C   PHE A   3      -9.355  -4.070  -0.450  1.00  0.00           C
ATOM     30  O   PHE A   3      -8.376  -4.195  -1.183  1.00  0.00           O
ATOM     31  CB  PHE A   3     -10.221  -6.276   0.319  1.00  0.00           C
ATOM     32  CG  PHE A   3      -9.253  -7.430   0.049  1.00  0.00           C
ATOM     33  CD1 PHE A   3      -8.303  -7.750   0.968  1.00  0.00           C
ATOM     34  CD2 PHE A   3      -9.344  -8.137  -1.109  1.00  0.00           C
ATOM     35  CE1 PHE A   3      -7.405  -8.820   0.717  1.00  0.00           C
ATOM     36  CE2 PHE A   3      -8.446  -9.208  -1.360  1.00  0.00           C
ATOM     37  CZ  PHE A   3      -7.495  -9.527  -0.441  1.00  0.00           C
ATOM      0  H   PHE A   3     -11.215  -4.923   2.020  1.00  0.00           H   new
ATOM      0  HA  PHE A   3      -8.554  -5.170   1.197  1.00  0.00           H   new
ATOM      0  HB2 PHE A   3     -10.932  -6.583   1.086  1.00  0.00           H   new
ATOM      0  HB3 PHE A   3     -10.795  -6.077  -0.586  1.00  0.00           H   new
ATOM      0  HD1 PHE A   3      -8.232  -7.190   1.889  1.00  0.00           H   new
ATOM      0  HD2 PHE A   3     -10.100  -7.884  -1.838  1.00  0.00           H   new
ATOM      0  HE1 PHE A   3      -6.650  -9.073   1.446  1.00  0.00           H   new
ATOM      0  HE2 PHE A   3      -8.518  -9.769  -2.280  1.00  0.00           H   new
ATOM      0  HZ  PHE A   3      -6.812 -10.342  -0.631  1.00  0.00           H   new
ATOM     47  N   GLY A   4     -10.315  -3.174  -0.624  1.00  0.00           N
ATOM     48  CA  GLY A   4     -10.273  -2.241  -1.737  1.00  0.00           C
ATOM     49  C   GLY A   4      -9.505  -0.972  -1.362  1.00  0.00           C
ATOM     50  O   GLY A   4      -9.024  -0.251  -2.234  1.00  0.00           O
ATOM      0  H   GLY A   4     -11.126  -3.074  -0.014  1.00  0.00           H   new
ATOM      0  HA2 GLY A   4      -9.800  -2.716  -2.596  1.00  0.00           H   new
ATOM      0  HA3 GLY A   4     -11.288  -1.981  -2.036  1.00  0.00           H   new
ATOM     54  N   ALA A   5      -9.412  -0.739  -0.060  1.00  0.00           N
ATOM     55  CA  ALA A   5      -8.710   0.431   0.442  1.00  0.00           C
ATOM     56  C   ALA A   5      -7.209   0.137   0.490  1.00  0.00           C
ATOM     57  O   ALA A   5      -6.391   1.049   0.390  1.00  0.00           O
ATOM     58  CB  ALA A   5      -9.273   0.815   1.811  1.00  0.00           C
ATOM      0  H   ALA A   5      -9.811  -1.340   0.661  1.00  0.00           H   new
ATOM      0  HA  ALA A   5      -8.858   1.283  -0.222  1.00  0.00           H   new
ATOM      0  HB1 ALA A   5      -8.747   1.692   2.188  1.00  0.00           H   new
ATOM      0  HB2 ALA A   5     -10.335   1.041   1.717  1.00  0.00           H   new
ATOM      0  HB3 ALA A   5      -9.139  -0.014   2.505  1.00  0.00           H   new
ATOM     64  N   ILE A   6      -6.893  -1.141   0.643  1.00  0.00           N
ATOM     65  CA  ILE A   6      -5.505  -1.567   0.705  1.00  0.00           C
ATOM     66  C   ILE A   6      -4.710  -0.863  -0.397  1.00  0.00           C
ATOM     67  O   ILE A   6      -3.604  -0.381  -0.160  1.00  0.00           O
ATOM     68  CB  ILE A   6      -5.409  -3.093   0.654  1.00  0.00           C
ATOM     69  CG1 ILE A   6      -6.250  -3.732   1.760  1.00  0.00           C
ATOM     70  CG2 ILE A   6      -3.950  -3.553   0.703  1.00  0.00           C
ATOM     71  CD1 ILE A   6      -5.905  -5.214   1.924  1.00  0.00           C
ATOM      0  H   ILE A   6      -7.575  -1.895   0.726  1.00  0.00           H   new
ATOM      0  HA  ILE A   6      -5.060  -1.275   1.656  1.00  0.00           H   new
ATOM      0  HB  ILE A   6      -5.820  -3.430  -0.298  1.00  0.00           H   new
ATOM      0 HG12 ILE A   6      -6.078  -3.209   2.701  1.00  0.00           H   new
ATOM      0 HG13 ILE A   6      -7.309  -3.625   1.524  1.00  0.00           H   new
ATOM      0 HG21 ILE A   6      -3.910  -4.642   0.665  1.00  0.00           H   new
ATOM      0 HG22 ILE A   6      -3.410  -3.140  -0.149  1.00  0.00           H   new
ATOM      0 HG23 ILE A   6      -3.490  -3.205   1.628  1.00  0.00           H   new
ATOM      0 HD11 ILE A   6      -6.517  -5.644   2.717  1.00  0.00           H   new
ATOM      0 HD12 ILE A   6      -6.101  -5.739   0.989  1.00  0.00           H   new
ATOM      0 HD13 ILE A   6      -4.851  -5.316   2.183  1.00  0.00           H   new
ATOM     83  N   ALA A   7      -5.306  -0.826  -1.580  1.00  0.00           N
ATOM     84  CA  ALA A   7      -4.668  -0.190  -2.721  1.00  0.00           C
ATOM     85  C   ALA A   7      -4.120   1.174  -2.296  1.00  0.00           C
ATOM     86  O   ALA A   7      -3.004   1.540  -2.661  1.00  0.00           O
ATOM     87  CB  ALA A   7      -5.669  -0.084  -3.872  1.00  0.00           C
ATOM      0  H   ALA A   7      -6.224  -1.226  -1.773  1.00  0.00           H   new
ATOM      0  HA  ALA A   7      -3.828  -0.788  -3.075  1.00  0.00           H   new
ATOM      0  HB1 ALA A   7      -5.191   0.393  -4.727  1.00  0.00           H   new
ATOM      0  HB2 ALA A   7      -6.006  -1.081  -4.154  1.00  0.00           H   new
ATOM      0  HB3 ALA A   7      -6.525   0.512  -3.556  1.00  0.00           H   new
ATOM     93  N   GLY A   8      -4.931   1.891  -1.532  1.00  0.00           N
ATOM     94  CA  GLY A   8      -4.542   3.206  -1.055  1.00  0.00           C
ATOM     95  C   GLY A   8      -3.359   3.111  -0.089  1.00  0.00           C
ATOM     96  O   GLY A   8      -2.550   4.034  -0.001  1.00  0.00           O
ATOM      0  H   GLY A   8      -5.857   1.585  -1.232  1.00  0.00           H   new
ATOM      0  HA2 GLY A   8      -4.275   3.839  -1.901  1.00  0.00           H   new
ATOM      0  HA3 GLY A   8      -5.387   3.680  -0.556  1.00  0.00           H   new
ATOM    100  N   PHE A   9      -3.295   1.988   0.611  1.00  0.00           N
ATOM    101  CA  PHE A   9      -2.225   1.761   1.566  1.00  0.00           C
ATOM    102  C   PHE A   9      -0.932   1.356   0.855  1.00  0.00           C
ATOM    103  O   PHE A   9       0.160   1.554   1.385  1.00  0.00           O
ATOM    104  CB  PHE A   9      -2.673   0.616   2.476  1.00  0.00           C
ATOM    105  CG  PHE A   9      -2.082   0.673   3.886  1.00  0.00           C
ATOM    106  CD1 PHE A   9      -2.089   1.843   4.579  1.00  0.00           C
ATOM    107  CD2 PHE A   9      -1.549  -0.447   4.446  1.00  0.00           C
ATOM    108  CE1 PHE A   9      -1.541   1.896   5.888  1.00  0.00           C
ATOM    109  CE2 PHE A   9      -1.001  -0.393   5.755  1.00  0.00           C
ATOM    110  CZ  PHE A   9      -1.008   0.777   6.448  1.00  0.00           C
ATOM      0  H   PHE A   9      -3.968   1.225   0.535  1.00  0.00           H   new
ATOM      0  HA  PHE A   9      -2.028   2.674   2.128  1.00  0.00           H   new
ATOM      0  HB2 PHE A   9      -3.761   0.628   2.548  1.00  0.00           H   new
ATOM      0  HB3 PHE A   9      -2.394  -0.331   2.015  1.00  0.00           H   new
ATOM      0  HD1 PHE A   9      -2.511   2.732   4.134  1.00  0.00           H   new
ATOM      0  HD2 PHE A   9      -1.543  -1.376   3.895  1.00  0.00           H   new
ATOM      0  HE1 PHE A   9      -1.547   2.825   6.439  1.00  0.00           H   new
ATOM      0  HE2 PHE A   9      -0.578  -1.282   6.200  1.00  0.00           H   new
ATOM      0  HZ  PHE A   9      -0.590   0.818   7.443  1.00  0.00           H   new
ATOM    120  N   ILE A  10      -1.098   0.797  -0.334  1.00  0.00           N
ATOM    121  CA  ILE A  10       0.042   0.363  -1.123  1.00  0.00           C
ATOM    122  C   ILE A  10       0.976   1.552  -1.359  1.00  0.00           C
ATOM    123  O   ILE A  10       2.181   1.373  -1.529  1.00  0.00           O
ATOM    124  CB  ILE A  10      -0.426  -0.316  -2.412  1.00  0.00           C
ATOM    125  CG1 ILE A  10      -1.343  -1.502  -2.105  1.00  0.00           C
ATOM    126  CG2 ILE A  10       0.766  -0.724  -3.281  1.00  0.00           C
ATOM    127  CD1 ILE A  10      -1.518  -2.392  -3.337  1.00  0.00           C
ATOM      0  H   ILE A  10      -2.005   0.634  -0.771  1.00  0.00           H   new
ATOM      0  HA  ILE A  10       0.615  -0.391  -0.582  1.00  0.00           H   new
ATOM      0  HB  ILE A  10      -1.011   0.404  -2.984  1.00  0.00           H   new
ATOM      0 HG12 ILE A  10      -0.925  -2.087  -1.286  1.00  0.00           H   new
ATOM      0 HG13 ILE A  10      -2.316  -1.138  -1.773  1.00  0.00           H   new
ATOM      0 HG21 ILE A  10       0.406  -1.204  -4.191  1.00  0.00           H   new
ATOM      0 HG22 ILE A  10       1.345   0.161  -3.543  1.00  0.00           H   new
ATOM      0 HG23 ILE A  10       1.397  -1.420  -2.729  1.00  0.00           H   new
ATOM      0 HD11 ILE A  10      -2.174  -3.227  -3.092  1.00  0.00           H   new
ATOM      0 HD12 ILE A  10      -1.958  -1.810  -4.147  1.00  0.00           H   new
ATOM      0 HD13 ILE A  10      -0.546  -2.774  -3.651  1.00  0.00           H   new
ATOM    139  N   GLU A  11       0.384   2.736  -1.360  1.00  0.00           N
ATOM    140  CA  GLU A  11       1.149   3.954  -1.570  1.00  0.00           C
ATOM    141  C   GLU A  11       2.200   4.119  -0.472  1.00  0.00           C
ATOM    142  O   GLU A  11       3.182   4.839  -0.649  1.00  0.00           O
ATOM    143  CB  GLU A  11       0.229   5.175  -1.636  1.00  0.00           C
ATOM    144  CG  GLU A  11      -0.114   5.679  -0.234  1.00  0.00           C
ATOM    145  CD  GLU A  11      -1.143   6.811  -0.295  1.00  0.00           C
ATOM    146  OE1 GLU A  11      -2.335   6.484  -0.477  1.00  0.00           O
ATOM    147  OE2 GLU A  11      -0.712   7.977  -0.157  1.00  0.00           O
ATOM      0  H   GLU A  11      -0.616   2.879  -1.219  1.00  0.00           H   new
ATOM      0  HA  GLU A  11       1.663   3.875  -2.528  1.00  0.00           H   new
ATOM      0  HB2 GLU A  11       0.713   5.970  -2.204  1.00  0.00           H   new
ATOM      0  HB3 GLU A  11      -0.687   4.916  -2.168  1.00  0.00           H   new
ATOM      0  HG2 GLU A  11      -0.506   4.858   0.366  1.00  0.00           H   new
ATOM      0  HG3 GLU A  11       0.791   6.031   0.261  1.00  0.00           H   new
ATOM    154  N   ASN A  12       1.958   3.439   0.640  1.00  0.00           N
ATOM    155  CA  ASN A  12       2.872   3.502   1.769  1.00  0.00           C
ATOM    156  C   ASN A  12       3.530   2.134   1.962  1.00  0.00           C
ATOM    157  O   ASN A  12       4.697   2.050   2.342  1.00  0.00           O
ATOM    158  CB  ASN A  12       2.130   3.856   3.059  1.00  0.00           C
ATOM    159  CG  ASN A  12       1.616   5.297   3.016  1.00  0.00           C
ATOM    160  OD1 ASN A  12       0.430   5.564   3.129  1.00  0.00           O
ATOM    161  ND2 ASN A  12       2.570   6.208   2.850  1.00  0.00           N
ATOM      0  H   ASN A  12       1.143   2.842   0.783  1.00  0.00           H   new
ATOM      0  HA  ASN A  12       3.616   4.270   1.559  1.00  0.00           H   new
ATOM      0  HB2 ASN A  12       1.294   3.172   3.202  1.00  0.00           H   new
ATOM      0  HB3 ASN A  12       2.796   3.728   3.913  1.00  0.00           H   new
ATOM      0 HD21 ASN A  12       2.328   7.198   2.811  1.00  0.00           H   new
ATOM      0 HD22 ASN A  12       3.544   5.917   2.762  1.00  0.00           H   new
ATOM    168  N   ALA A  13       2.753   1.095   1.694  1.00  0.00           N
ATOM    169  CA  ALA A  13       3.245  -0.264   1.833  1.00  0.00           C
ATOM    170  C   ALA A  13       4.163  -0.594   0.655  1.00  0.00           C
ATOM    171  O   ALA A  13       4.901  -1.577   0.694  1.00  0.00           O
ATOM    172  CB  ALA A  13       2.061  -1.228   1.937  1.00  0.00           C
ATOM      0  H   ALA A  13       1.785   1.168   1.381  1.00  0.00           H   new
ATOM      0  HA  ALA A  13       3.831  -0.367   2.746  1.00  0.00           H   new
ATOM      0  HB1 ALA A  13       2.430  -2.248   2.041  1.00  0.00           H   new
ATOM      0  HB2 ALA A  13       1.457  -0.970   2.807  1.00  0.00           H   new
ATOM      0  HB3 ALA A  13       1.451  -1.153   1.037  1.00  0.00           H   new
ATOM    178  N   TRP A  14       4.088   0.249  -0.366  1.00  0.00           N
ATOM    179  CA  TRP A  14       4.903   0.060  -1.553  1.00  0.00           C
ATOM    180  C   TRP A  14       6.079   1.036  -1.481  1.00  0.00           C
ATOM    181  O   TRP A  14       7.202   0.641  -1.174  1.00  0.00           O
ATOM    182  CB  TRP A  14       4.067   0.222  -2.824  1.00  0.00           C
ATOM    183  CG  TRP A  14       4.769  -0.257  -4.096  1.00  0.00           C
ATOM    184  CD1 TRP A  14       5.804  -1.102  -4.199  1.00  0.00           C
ATOM    185  CD2 TRP A  14       4.441   0.116  -5.452  1.00  0.00           C
ATOM    186  NE1 TRP A  14       6.167  -1.299  -5.516  1.00  0.00           N
ATOM    187  CE2 TRP A  14       5.311  -0.536  -6.302  1.00  0.00           C
ATOM    188  CE3 TRP A  14       3.443   0.975  -5.942  1.00  0.00           C
ATOM    189  CZ2 TRP A  14       5.271  -0.395  -7.695  1.00  0.00           C
ATOM    190  CZ3 TRP A  14       3.416   1.104  -7.337  1.00  0.00           C
ATOM    191  CH2 TRP A  14       4.285   0.455  -8.206  1.00  0.00           C
ATOM      0  H   TRP A  14       3.475   1.064  -0.395  1.00  0.00           H   new
ATOM      0  HA  TRP A  14       5.297  -0.956  -1.592  1.00  0.00           H   new
ATOM      0  HB2 TRP A  14       3.135  -0.330  -2.706  1.00  0.00           H   new
ATOM      0  HB3 TRP A  14       3.803   1.273  -2.941  1.00  0.00           H   new
ATOM      0  HD1 TRP A  14       6.293  -1.570  -3.357  1.00  0.00           H   new
ATOM      0  HE1 TRP A  14       6.924  -1.895  -5.851  1.00  0.00           H   new
ATOM      0  HE3 TRP A  14       2.752   1.495  -5.295  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  14       5.964  -0.915  -8.340  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  14       2.668   1.753  -7.767  1.00  0.00           H   new
ATOM      0  HH2 TRP A  14       4.199   0.607  -9.272  1.00  0.00           H   new
ATOM    202  N   GLU A  15       5.779   2.294  -1.769  1.00  0.00           N
ATOM    203  CA  GLU A  15       6.795   3.332  -1.740  1.00  0.00           C
ATOM    204  C   GLU A  15       7.760   3.097  -0.576  1.00  0.00           C
ATOM    205  O   GLU A  15       8.948   3.398  -0.680  1.00  0.00           O
ATOM    206  CB  GLU A  15       6.160   4.721  -1.654  1.00  0.00           C
ATOM    207  CG  GLU A  15       7.199   5.816  -1.908  1.00  0.00           C
ATOM    208  CD  GLU A  15       6.543   7.069  -2.491  1.00  0.00           C
ATOM    209  OE1 GLU A  15       6.252   7.042  -3.707  1.00  0.00           O
ATOM    210  OE2 GLU A  15       6.348   8.025  -1.710  1.00  0.00           O
ATOM      0  H   GLU A  15       4.846   2.618  -2.024  1.00  0.00           H   new
ATOM      0  HA  GLU A  15       7.360   3.285  -2.671  1.00  0.00           H   new
ATOM      0  HB2 GLU A  15       5.355   4.802  -2.384  1.00  0.00           H   new
ATOM      0  HB3 GLU A  15       5.713   4.860  -0.670  1.00  0.00           H   new
ATOM      0  HG2 GLU A  15       7.704   6.066  -0.975  1.00  0.00           H   new
ATOM      0  HG3 GLU A  15       7.961   5.447  -2.594  1.00  0.00           H   new
ATOM    217  N   GLY A  16       7.213   2.562   0.506  1.00  0.00           N
ATOM    218  CA  GLY A  16       8.011   2.284   1.688  1.00  0.00           C
ATOM    219  C   GLY A  16       9.097   1.251   1.386  1.00  0.00           C
ATOM    220  O   GLY A  16      10.283   1.519   1.572  1.00  0.00           O
ATOM      0  H   GLY A  16       6.227   2.314   0.589  1.00  0.00           H   new
ATOM      0  HA2 GLY A  16       8.470   3.205   2.046  1.00  0.00           H   new
ATOM      0  HA3 GLY A  16       7.367   1.917   2.488  1.00  0.00           H   new
ATOM    224  N   MET A  17       8.655   0.091   0.924  1.00  0.00           N
ATOM    225  CA  MET A  17       9.574  -0.985   0.594  1.00  0.00           C
ATOM    226  C   MET A  17      10.447  -0.611  -0.607  1.00  0.00           C
ATOM    227  O   MET A  17      11.394  -1.323  -0.936  1.00  0.00           O
ATOM    228  CB  MET A  17       8.783  -2.255   0.275  1.00  0.00           C
ATOM    229  CG  MET A  17       7.830  -2.025  -0.900  1.00  0.00           C
ATOM    230  SD  MET A  17       7.541  -3.562  -1.760  1.00  0.00           S
ATOM    231  CE  MET A  17       6.346  -4.310  -0.666  1.00  0.00           C
ATOM      0  H   MET A  17       7.671  -0.128   0.770  1.00  0.00           H   new
ATOM      0  HA  MET A  17      10.223  -1.158   1.452  1.00  0.00           H   new
ATOM      0  HB2 MET A  17       9.471  -3.066   0.037  1.00  0.00           H   new
ATOM      0  HB3 MET A  17       8.216  -2.565   1.153  1.00  0.00           H   new
ATOM      0  HG2 MET A  17       6.886  -1.617  -0.539  1.00  0.00           H   new
ATOM      0  HG3 MET A  17       8.254  -1.290  -1.584  1.00  0.00           H   new
ATOM      0  HE1 MET A  17       6.095  -5.307  -1.028  1.00  0.00           H   new
ATOM      0  HE2 MET A  17       6.767  -4.384   0.337  1.00  0.00           H   new
ATOM      0  HE3 MET A  17       5.445  -3.697  -0.637  1.00  0.00           H   new
ATOM    241  N   ILE A  18      10.095   0.506  -1.228  1.00  0.00           N
ATOM    242  CA  ILE A  18      10.833   0.982  -2.385  1.00  0.00           C
ATOM    243  C   ILE A  18      11.969   1.893  -1.919  1.00  0.00           C
ATOM    244  O   ILE A  18      13.038   1.921  -2.527  1.00  0.00           O
ATOM    245  CB  ILE A  18       9.887   1.643  -3.389  1.00  0.00           C
ATOM    246  CG1 ILE A  18       8.864   0.638  -3.923  1.00  0.00           C
ATOM    247  CG2 ILE A  18      10.670   2.317  -4.518  1.00  0.00           C
ATOM    248  CD1 ILE A  18       9.408  -0.102  -5.146  1.00  0.00           C
ATOM      0  H   ILE A  18       9.309   1.094  -0.951  1.00  0.00           H   new
ATOM      0  HA  ILE A  18      11.290   0.147  -2.916  1.00  0.00           H   new
ATOM      0  HB  ILE A  18       9.331   2.424  -2.871  1.00  0.00           H   new
ATOM      0 HG12 ILE A  18       8.612  -0.079  -3.142  1.00  0.00           H   new
ATOM      0 HG13 ILE A  18       7.943   1.157  -4.188  1.00  0.00           H   new
ATOM      0 HG21 ILE A  18       9.974   2.779  -5.218  1.00  0.00           H   new
ATOM      0 HG22 ILE A  18      11.326   3.081  -4.100  1.00  0.00           H   new
ATOM      0 HG23 ILE A  18      11.269   1.571  -5.041  1.00  0.00           H   new
ATOM      0 HD11 ILE A  18       8.661  -0.810  -5.505  1.00  0.00           H   new
ATOM      0 HD12 ILE A  18       9.636   0.616  -5.934  1.00  0.00           H   new
ATOM      0 HD13 ILE A  18      10.315  -0.640  -4.872  1.00  0.00           H   new
ATOM    260  N   ASP A  19      11.701   2.619  -0.842  1.00  0.00           N
ATOM    261  CA  ASP A  19      12.687   3.529  -0.287  1.00  0.00           C
ATOM    262  C   ASP A  19      13.284   2.917   0.981  1.00  0.00           C
ATOM    263  O   ASP A  19      12.824   1.876   1.448  1.00  0.00           O
ATOM    264  CB  ASP A  19      12.051   4.869   0.089  1.00  0.00           C
ATOM    265  CG  ASP A  19      12.017   5.906  -1.035  1.00  0.00           C
ATOM    266  OD1 ASP A  19      13.051   6.031  -1.725  1.00  0.00           O
ATOM    267  OD2 ASP A  19      10.956   6.552  -1.179  1.00  0.00           O
ATOM      0  H   ASP A  19      10.814   2.594  -0.339  1.00  0.00           H   new
ATOM      0  HA  ASP A  19      13.455   3.694  -1.042  1.00  0.00           H   new
ATOM      0  HB2 ASP A  19      11.031   4.688   0.427  1.00  0.00           H   new
ATOM      0  HB3 ASP A  19      12.597   5.289   0.934  1.00  0.00           H   new