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+   -165:sc= -0.0626   (180deg=-0.349)
USER  MOD Single : A  12 ASN     :      amide:sc=   -1.22  K(o=-1.2,f=-8.4!)
USER  MOD Single : A  17 MET CE  :methyl -126:sc=  -0.177   (180deg=-1.01)
USER  MOD -----------------------------------------------------------------
ATOM      1  N   GLY A   1     -14.695  -3.298   1.043  1.00  0.00           N
ATOM      2  CA  GLY A   1     -14.283  -1.904   1.084  1.00  0.00           C
ATOM      3  C   GLY A   1     -12.844  -1.772   1.586  1.00  0.00           C
ATOM      4  O   GLY A   1     -12.147  -0.819   1.241  1.00  0.00           O
ATOM      0  H1  GLY A   1     -15.560  -3.388   0.472  1.00  0.00           H   new
ATOM      0  H2  GLY A   1     -13.938  -3.871   0.618  1.00  0.00           H   new
ATOM      0  H3  GLY A   1     -14.882  -3.633   2.010  1.00  0.00           H   new
ATOM      0  HA2 GLY A   1     -14.366  -1.467   0.089  1.00  0.00           H   new
ATOM      0  HA3 GLY A   1     -14.952  -1.342   1.736  1.00  0.00           H   new
ATOM      8  N   LEU A   2     -12.441  -2.743   2.394  1.00  0.00           N
ATOM      9  CA  LEU A   2     -11.097  -2.747   2.946  1.00  0.00           C
ATOM     10  C   LEU A   2     -10.106  -3.172   1.861  1.00  0.00           C
ATOM     11  O   LEU A   2      -9.099  -2.501   1.638  1.00  0.00           O
ATOM     12  CB  LEU A   2     -11.039  -3.613   4.205  1.00  0.00           C
ATOM     13  CG  LEU A   2     -10.040  -3.171   5.277  1.00  0.00           C
ATOM     14  CD1 LEU A   2     -10.523  -1.907   5.990  1.00  0.00           C
ATOM     15  CD2 LEU A   2      -9.752  -4.309   6.260  1.00  0.00           C
ATOM      0  H   LEU A   2     -13.022  -3.532   2.679  1.00  0.00           H   new
ATOM      0  HA  LEU A   2     -10.812  -1.744   3.263  1.00  0.00           H   new
ATOM      0  HB2 LEU A   2     -12.033  -3.638   4.651  1.00  0.00           H   new
ATOM      0  HB3 LEU A   2     -10.797  -4.634   3.909  1.00  0.00           H   new
ATOM      0  HG  LEU A   2      -9.099  -2.923   4.785  1.00  0.00           H   new
ATOM      0 HD11 LEU A   2      -9.795  -1.615   6.746  1.00  0.00           H   new
ATOM      0 HD12 LEU A   2     -10.636  -1.101   5.265  1.00  0.00           H   new
ATOM      0 HD13 LEU A   2     -11.483  -2.103   6.467  1.00  0.00           H   new
ATOM      0 HD21 LEU A   2      -9.039  -3.969   7.011  1.00  0.00           H   new
ATOM      0 HD22 LEU A   2     -10.678  -4.611   6.749  1.00  0.00           H   new
ATOM      0 HD23 LEU A   2      -9.333  -5.158   5.721  1.00  0.00           H   new
ATOM     27  N   PHE A   3     -10.425  -4.283   1.214  1.00  0.00           N
ATOM     28  CA  PHE A   3      -9.575  -4.805   0.158  1.00  0.00           C
ATOM     29  C   PHE A   3      -9.347  -3.756  -0.931  1.00  0.00           C
ATOM     30  O   PHE A   3      -8.367  -3.827  -1.672  1.00  0.00           O
ATOM     31  CB  PHE A   3     -10.303  -6.005  -0.450  1.00  0.00           C
ATOM     32  CG  PHE A   3      -9.378  -7.155  -0.856  1.00  0.00           C
ATOM     33  CD1 PHE A   3      -8.533  -7.006  -1.910  1.00  0.00           C
ATOM     34  CD2 PHE A   3      -9.402  -8.324  -0.162  1.00  0.00           C
ATOM     35  CE1 PHE A   3      -7.674  -8.073  -2.288  1.00  0.00           C
ATOM     36  CE2 PHE A   3      -8.543  -9.390  -0.539  1.00  0.00           C
ATOM     37  CZ  PHE A   3      -7.697  -9.242  -1.594  1.00  0.00           C
ATOM      0  H   PHE A   3     -11.261  -4.837   1.401  1.00  0.00           H   new
ATOM      0  HA  PHE A   3      -8.603  -5.083   0.566  1.00  0.00           H   new
ATOM      0  HB2 PHE A   3     -11.033  -6.376   0.269  1.00  0.00           H   new
ATOM      0  HB3 PHE A   3     -10.859  -5.673  -1.327  1.00  0.00           H   new
ATOM      0  HD1 PHE A   3      -8.514  -6.077  -2.460  1.00  0.00           H   new
ATOM      0  HD2 PHE A   3     -10.074  -8.442   0.675  1.00  0.00           H   new
ATOM      0  HE1 PHE A   3      -7.003  -7.955  -3.126  1.00  0.00           H   new
ATOM      0  HE2 PHE A   3      -8.561 -10.319   0.012  1.00  0.00           H   new
ATOM      0  HZ  PHE A   3      -7.044 -10.053  -1.880  1.00  0.00           H   new
ATOM     47  N   GLY A   4     -10.268  -2.806  -0.996  1.00  0.00           N
ATOM     48  CA  GLY A   4     -10.180  -1.742  -1.982  1.00  0.00           C
ATOM     49  C   GLY A   4      -9.369  -0.561  -1.445  1.00  0.00           C
ATOM     50  O   GLY A   4      -8.859   0.247  -2.218  1.00  0.00           O
ATOM      0  H   GLY A   4     -11.080  -2.751  -0.381  1.00  0.00           H   new
ATOM      0  HA2 GLY A   4      -9.716  -2.122  -2.892  1.00  0.00           H   new
ATOM      0  HA3 GLY A   4     -11.182  -1.407  -2.251  1.00  0.00           H   new
ATOM     54  N   ALA A   5      -9.277  -0.500  -0.124  1.00  0.00           N
ATOM     55  CA  ALA A   5      -8.538   0.569   0.525  1.00  0.00           C
ATOM     56  C   ALA A   5      -7.050   0.214   0.545  1.00  0.00           C
ATOM     57  O   ALA A   5      -6.197   1.100   0.568  1.00  0.00           O
ATOM     58  CB  ALA A   5      -9.101   0.800   1.928  1.00  0.00           C
ATOM      0  H   ALA A   5      -9.702  -1.173   0.514  1.00  0.00           H   new
ATOM      0  HA  ALA A   5      -8.647   1.502  -0.028  1.00  0.00           H   new
ATOM      0  HB1 ALA A   5      -8.546   1.602   2.415  1.00  0.00           H   new
ATOM      0  HB2 ALA A   5     -10.153   1.077   1.857  1.00  0.00           H   new
ATOM      0  HB3 ALA A   5      -9.006  -0.114   2.513  1.00  0.00           H   new
ATOM     64  N   ILE A   6      -6.783  -1.084   0.534  1.00  0.00           N
ATOM     65  CA  ILE A   6      -5.413  -1.567   0.551  1.00  0.00           C
ATOM     66  C   ILE A   6      -4.580  -0.760  -0.446  1.00  0.00           C
ATOM     67  O   ILE A   6      -3.459  -0.354  -0.140  1.00  0.00           O
ATOM     68  CB  ILE A   6      -5.374  -3.077   0.307  1.00  0.00           C
ATOM     69  CG1 ILE A   6      -6.251  -3.819   1.317  1.00  0.00           C
ATOM     70  CG2 ILE A   6      -3.934  -3.595   0.308  1.00  0.00           C
ATOM     71  CD1 ILE A   6      -5.963  -5.321   1.293  1.00  0.00           C
ATOM      0  H   ILE A   6      -7.493  -1.816   0.514  1.00  0.00           H   new
ATOM      0  HA  ILE A   6      -4.968  -1.416   1.534  1.00  0.00           H   new
ATOM      0  HB  ILE A   6      -5.787  -3.274  -0.682  1.00  0.00           H   new
ATOM      0 HG12 ILE A   6      -6.071  -3.426   2.318  1.00  0.00           H   new
ATOM      0 HG13 ILE A   6      -7.302  -3.643   1.090  1.00  0.00           H   new
ATOM      0 HG21 ILE A   6      -3.934  -4.671   0.133  1.00  0.00           H   new
ATOM      0 HG22 ILE A   6      -3.368  -3.099  -0.481  1.00  0.00           H   new
ATOM      0 HG23 ILE A   6      -3.472  -3.385   1.273  1.00  0.00           H   new
ATOM      0 HD11 ILE A   6      -6.600  -5.825   2.020  1.00  0.00           H   new
ATOM      0 HD12 ILE A   6      -6.167  -5.715   0.297  1.00  0.00           H   new
ATOM      0 HD13 ILE A   6      -4.917  -5.495   1.545  1.00  0.00           H   new
ATOM     83  N   ALA A   7      -5.159  -0.551  -1.619  1.00  0.00           N
ATOM     84  CA  ALA A   7      -4.484   0.200  -2.664  1.00  0.00           C
ATOM     85  C   ALA A   7      -3.892   1.478  -2.066  1.00  0.00           C
ATOM     86  O   ALA A   7      -2.760   1.845  -2.375  1.00  0.00           O
ATOM     87  CB  ALA A   7      -5.467   0.488  -3.801  1.00  0.00           C
ATOM      0  H   ALA A   7      -6.088  -0.889  -1.869  1.00  0.00           H   new
ATOM      0  HA  ALA A   7      -3.661  -0.379  -3.083  1.00  0.00           H   new
ATOM      0  HB1 ALA A   7      -4.961   1.051  -4.585  1.00  0.00           H   new
ATOM      0  HB2 ALA A   7      -5.836  -0.453  -4.210  1.00  0.00           H   new
ATOM      0  HB3 ALA A   7      -6.305   1.071  -3.419  1.00  0.00           H   new
ATOM     93  N   GLY A   8      -4.685   2.120  -1.221  1.00  0.00           N
ATOM     94  CA  GLY A   8      -4.254   3.349  -0.577  1.00  0.00           C
ATOM     95  C   GLY A   8      -3.086   3.088   0.376  1.00  0.00           C
ATOM     96  O   GLY A   8      -2.245   3.960   0.586  1.00  0.00           O
ATOM      0  H   GLY A   8      -5.624   1.812  -0.967  1.00  0.00           H   new
ATOM      0  HA2 GLY A   8      -3.956   4.075  -1.333  1.00  0.00           H   new
ATOM      0  HA3 GLY A   8      -5.087   3.787  -0.026  1.00  0.00           H   new
ATOM    100  N   PHE A   9      -3.072   1.883   0.929  1.00  0.00           N
ATOM    101  CA  PHE A   9      -2.022   1.497   1.854  1.00  0.00           C
ATOM    102  C   PHE A   9      -0.736   1.137   1.107  1.00  0.00           C
ATOM    103  O   PHE A   9       0.356   1.225   1.664  1.00  0.00           O
ATOM    104  CB  PHE A   9      -2.521   0.262   2.608  1.00  0.00           C
ATOM    105  CG  PHE A   9      -2.247   0.298   4.112  1.00  0.00           C
ATOM    106  CD1 PHE A   9      -2.682   1.350   4.858  1.00  0.00           C
ATOM    107  CD2 PHE A   9      -1.569  -0.721   4.704  1.00  0.00           C
ATOM    108  CE1 PHE A   9      -2.427   1.382   6.254  1.00  0.00           C
ATOM    109  CE2 PHE A   9      -1.314  -0.688   6.101  1.00  0.00           C
ATOM    110  CZ  PHE A   9      -1.748   0.363   6.847  1.00  0.00           C
ATOM      0  H   PHE A   9      -3.772   1.162   0.753  1.00  0.00           H   new
ATOM      0  HA  PHE A   9      -1.799   2.324   2.528  1.00  0.00           H   new
ATOM      0  HB2 PHE A   9      -3.594   0.160   2.447  1.00  0.00           H   new
ATOM      0  HB3 PHE A   9      -2.049  -0.625   2.184  1.00  0.00           H   new
ATOM      0  HD1 PHE A   9      -3.221   2.160   4.388  1.00  0.00           H   new
ATOM      0  HD2 PHE A   9      -1.224  -1.556   4.112  1.00  0.00           H   new
ATOM      0  HE1 PHE A   9      -2.772   2.216   6.846  1.00  0.00           H   new
ATOM      0  HE2 PHE A   9      -0.775  -1.498   6.571  1.00  0.00           H   new
ATOM      0  HZ  PHE A   9      -1.554   0.389   7.909  1.00  0.00           H   new
ATOM    120  N   ILE A  10      -0.909   0.740  -0.146  1.00  0.00           N
ATOM    121  CA  ILE A  10       0.223   0.367  -0.976  1.00  0.00           C
ATOM    122  C   ILE A  10       1.203   1.539  -1.051  1.00  0.00           C
ATOM    123  O   ILE A  10       2.402   1.339  -1.235  1.00  0.00           O
ATOM    124  CB  ILE A  10      -0.254  -0.126  -2.344  1.00  0.00           C
ATOM    125  CG1 ILE A  10      -1.218  -1.305  -2.197  1.00  0.00           C
ATOM    126  CG2 ILE A  10       0.932  -0.464  -3.249  1.00  0.00           C
ATOM    127  CD1 ILE A  10      -1.411  -2.024  -3.533  1.00  0.00           C
ATOM      0  H   ILE A  10      -1.817   0.669  -0.606  1.00  0.00           H   new
ATOM      0  HA  ILE A  10       0.761  -0.471  -0.532  1.00  0.00           H   new
ATOM      0  HB  ILE A  10      -0.806   0.682  -2.825  1.00  0.00           H   new
ATOM      0 HG12 ILE A  10      -0.832  -2.005  -1.456  1.00  0.00           H   new
ATOM      0 HG13 ILE A  10      -2.180  -0.949  -1.829  1.00  0.00           H   new
ATOM      0 HG21 ILE A  10       0.565  -0.812  -4.215  1.00  0.00           H   new
ATOM      0 HG22 ILE A  10       1.545   0.426  -3.393  1.00  0.00           H   new
ATOM      0 HG23 ILE A  10       1.532  -1.247  -2.785  1.00  0.00           H   new
ATOM      0 HD11 ILE A  10      -2.100  -2.858  -3.401  1.00  0.00           H   new
ATOM      0 HD12 ILE A  10      -1.820  -1.328  -4.265  1.00  0.00           H   new
ATOM      0 HD13 ILE A  10      -0.451  -2.400  -3.886  1.00  0.00           H   new
ATOM    139  N   GLU A  11       0.655   2.736  -0.906  1.00  0.00           N
ATOM    140  CA  GLU A  11       1.466   3.941  -0.955  1.00  0.00           C
ATOM    141  C   GLU A  11       2.510   3.925   0.163  1.00  0.00           C
ATOM    142  O   GLU A  11       3.518   4.624   0.086  1.00  0.00           O
ATOM    143  CB  GLU A  11       0.592   5.194  -0.872  1.00  0.00           C
ATOM    144  CG  GLU A  11      -0.170   5.419  -2.180  1.00  0.00           C
ATOM    145  CD  GLU A  11       0.633   6.301  -3.137  1.00  0.00           C
ATOM    146  OE1 GLU A  11       0.842   7.481  -2.782  1.00  0.00           O
ATOM    147  OE2 GLU A  11       1.022   5.775  -4.203  1.00  0.00           O
ATOM      0  H   GLU A  11      -0.341   2.898  -0.755  1.00  0.00           H   new
ATOM      0  HA  GLU A  11       1.988   3.965  -1.912  1.00  0.00           H   new
ATOM      0  HB2 GLU A  11      -0.114   5.095  -0.048  1.00  0.00           H   new
ATOM      0  HB3 GLU A  11       1.214   6.062  -0.656  1.00  0.00           H   new
ATOM      0  HG2 GLU A  11      -0.379   4.459  -2.653  1.00  0.00           H   new
ATOM      0  HG3 GLU A  11      -1.132   5.887  -1.969  1.00  0.00           H   new
ATOM    154  N   ASN A  12       2.231   3.119   1.178  1.00  0.00           N
ATOM    155  CA  ASN A  12       3.133   3.003   2.311  1.00  0.00           C
ATOM    156  C   ASN A  12       3.737   1.598   2.333  1.00  0.00           C
ATOM    157  O   ASN A  12       4.897   1.423   2.708  1.00  0.00           O
ATOM    158  CB  ASN A  12       2.390   3.219   3.631  1.00  0.00           C
ATOM    159  CG  ASN A  12       1.546   4.495   3.583  1.00  0.00           C
ATOM    160  OD1 ASN A  12       1.185   4.991   2.529  1.00  0.00           O
ATOM    161  ND2 ASN A  12       1.255   4.996   4.780  1.00  0.00           N
ATOM      0  H   ASN A  12       1.393   2.540   1.239  1.00  0.00           H   new
ATOM      0  HA  ASN A  12       3.908   3.762   2.205  1.00  0.00           H   new
ATOM      0  HB2 ASN A  12       1.748   2.362   3.836  1.00  0.00           H   new
ATOM      0  HB3 ASN A  12       3.107   3.283   4.450  1.00  0.00           H   new
ATOM      0 HD21 ASN A  12       0.697   5.847   4.855  1.00  0.00           H   new
ATOM      0 HD22 ASN A  12       1.590   4.530   5.623  1.00  0.00           H   new
ATOM    168  N   ALA A  13       2.926   0.632   1.929  1.00  0.00           N
ATOM    169  CA  ALA A  13       3.367  -0.752   1.898  1.00  0.00           C
ATOM    170  C   ALA A  13       4.285  -0.963   0.693  1.00  0.00           C
ATOM    171  O   ALA A  13       4.986  -1.971   0.612  1.00  0.00           O
ATOM    172  CB  ALA A  13       2.147  -1.675   1.871  1.00  0.00           C
ATOM      0  H   ALA A  13       1.965   0.780   1.620  1.00  0.00           H   new
ATOM      0  HA  ALA A  13       3.939  -0.993   2.794  1.00  0.00           H   new
ATOM      0  HB1 ALA A  13       2.477  -2.714   1.848  1.00  0.00           H   new
ATOM      0  HB2 ALA A  13       1.543  -1.506   2.763  1.00  0.00           H   new
ATOM      0  HB3 ALA A  13       1.551  -1.464   0.983  1.00  0.00           H   new
ATOM    178  N   TRP A  14       4.254   0.003  -0.212  1.00  0.00           N
ATOM    179  CA  TRP A  14       5.075  -0.064  -1.408  1.00  0.00           C
ATOM    180  C   TRP A  14       6.284   0.852  -1.204  1.00  0.00           C
ATOM    181  O   TRP A  14       7.388   0.378  -0.942  1.00  0.00           O
ATOM    182  CB  TRP A  14       4.260   0.291  -2.654  1.00  0.00           C
ATOM    183  CG  TRP A  14       4.958  -0.049  -3.973  1.00  0.00           C
ATOM    184  CD1 TRP A  14       5.963  -0.913  -4.176  1.00  0.00           C
ATOM    185  CD2 TRP A  14       4.660   0.505  -5.270  1.00  0.00           C
ATOM    186  NE1 TRP A  14       6.332  -0.955  -5.504  1.00  0.00           N
ATOM    187  CE2 TRP A  14       5.515  -0.066  -6.192  1.00  0.00           C
ATOM    188  CE3 TRP A  14       3.699   1.457  -5.655  1.00  0.00           C
ATOM    189  CZ2 TRP A  14       5.496   0.251  -7.554  1.00  0.00           C
ATOM    190  CZ3 TRP A  14       3.693   1.762  -7.022  1.00  0.00           C
ATOM    191  CH2 TRP A  14       4.547   1.198  -7.961  1.00  0.00           C
ATOM      0  H   TRP A  14       3.672   0.838  -0.141  1.00  0.00           H   new
ATOM      0  HA  TRP A  14       5.432  -1.080  -1.574  1.00  0.00           H   new
ATOM      0  HB2 TRP A  14       3.306  -0.235  -2.614  1.00  0.00           H   new
ATOM      0  HB3 TRP A  14       4.037   1.358  -2.638  1.00  0.00           H   new
ATOM      0  HD1 TRP A  14       6.425  -1.502  -3.398  1.00  0.00           H   new
ATOM      0  HE1 TRP A  14       7.069  -1.533  -5.907  1.00  0.00           H   new
ATOM      0  HE3 TRP A  14       3.020   1.916  -4.952  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  14       6.177  -0.210  -8.255  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  14       2.973   2.487  -7.371  1.00  0.00           H   new
ATOM      0  HH2 TRP A  14       4.480   1.488  -8.999  1.00  0.00           H   new
ATOM    202  N   GLU A  15       6.034   2.146  -1.332  1.00  0.00           N
ATOM    203  CA  GLU A  15       7.088   3.132  -1.165  1.00  0.00           C
ATOM    204  C   GLU A  15       8.029   2.716  -0.033  1.00  0.00           C
ATOM    205  O   GLU A  15       9.239   2.918  -0.121  1.00  0.00           O
ATOM    206  CB  GLU A  15       6.503   4.522  -0.907  1.00  0.00           C
ATOM    207  CG  GLU A  15       7.504   5.617  -1.280  1.00  0.00           C
ATOM    208  CD  GLU A  15       8.769   5.517  -0.424  1.00  0.00           C
ATOM    209  OE1 GLU A  15       8.649   5.755   0.797  1.00  0.00           O
ATOM    210  OE2 GLU A  15       9.828   5.204  -1.011  1.00  0.00           O
ATOM      0  H   GLU A  15       5.117   2.535  -1.550  1.00  0.00           H   new
ATOM      0  HA  GLU A  15       7.662   3.181  -2.090  1.00  0.00           H   new
ATOM      0  HB2 GLU A  15       5.588   4.648  -1.486  1.00  0.00           H   new
ATOM      0  HB3 GLU A  15       6.231   4.616   0.144  1.00  0.00           H   new
ATOM      0  HG2 GLU A  15       7.766   5.531  -2.335  1.00  0.00           H   new
ATOM      0  HG3 GLU A  15       7.045   6.596  -1.144  1.00  0.00           H   new
ATOM    217  N   GLY A  16       7.439   2.141   1.004  1.00  0.00           N
ATOM    218  CA  GLY A  16       8.210   1.694   2.151  1.00  0.00           C
ATOM    219  C   GLY A  16       9.021   0.442   1.814  1.00  0.00           C
ATOM    220  O   GLY A  16      10.219   0.380   2.089  1.00  0.00           O
ATOM      0  H   GLY A  16       6.435   1.974   1.074  1.00  0.00           H   new
ATOM      0  HA2 GLY A  16       8.881   2.490   2.475  1.00  0.00           H   new
ATOM      0  HA3 GLY A  16       7.540   1.484   2.984  1.00  0.00           H   new
ATOM    224  N   MET A  17       8.336  -0.526   1.221  1.00  0.00           N
ATOM    225  CA  MET A  17       8.978  -1.773   0.842  1.00  0.00           C
ATOM    226  C   MET A  17       9.992  -1.548  -0.283  1.00  0.00           C
ATOM    227  O   MET A  17      10.751  -2.453  -0.627  1.00  0.00           O
ATOM    228  CB  MET A  17       7.916  -2.773   0.380  1.00  0.00           C
ATOM    229  CG  MET A  17       7.230  -3.435   1.577  1.00  0.00           C
ATOM    230  SD  MET A  17       8.289  -4.698   2.266  1.00  0.00           S
ATOM    231  CE  MET A  17       8.205  -5.916   0.965  1.00  0.00           C
ATOM      0  H   MET A  17       7.343  -0.471   0.994  1.00  0.00           H   new
ATOM      0  HA  MET A  17       9.508  -2.166   1.710  1.00  0.00           H   new
ATOM      0  HB2 MET A  17       7.173  -2.263  -0.233  1.00  0.00           H   new
ATOM      0  HB3 MET A  17       8.378  -3.536  -0.247  1.00  0.00           H   new
ATOM      0  HG2 MET A  17       7.002  -2.686   2.336  1.00  0.00           H   new
ATOM      0  HG3 MET A  17       6.282  -3.873   1.266  1.00  0.00           H   new
ATOM      0  HE1 MET A  17       7.899  -6.875   1.383  1.00  0.00           H   new
ATOM      0  HE2 MET A  17       7.479  -5.599   0.216  1.00  0.00           H   new
ATOM      0  HE3 MET A  17       9.185  -6.020   0.500  1.00  0.00           H   new
ATOM    241  N   ILE A  18       9.971  -0.338  -0.821  1.00  0.00           N
ATOM    242  CA  ILE A  18      10.879   0.016  -1.899  1.00  0.00           C
ATOM    243  C   ILE A  18      12.070   0.786  -1.325  1.00  0.00           C
ATOM    244  O   ILE A  18      13.181   0.692  -1.842  1.00  0.00           O
ATOM    245  CB  ILE A  18      10.133   0.770  -3.002  1.00  0.00           C
ATOM    246  CG1 ILE A  18       8.905  -0.015  -3.469  1.00  0.00           C
ATOM    247  CG2 ILE A  18      11.070   1.112  -4.162  1.00  0.00           C
ATOM    248  CD1 ILE A  18       9.273  -0.995  -4.584  1.00  0.00           C
ATOM      0  H   ILE A  18       9.340   0.409  -0.531  1.00  0.00           H   new
ATOM      0  HA  ILE A  18      11.277  -0.882  -2.372  1.00  0.00           H   new
ATOM      0  HB  ILE A  18       9.774   1.713  -2.589  1.00  0.00           H   new
ATOM      0 HG12 ILE A  18       8.476  -0.560  -2.628  1.00  0.00           H   new
ATOM      0 HG13 ILE A  18       8.141   0.676  -3.825  1.00  0.00           H   new
ATOM      0 HG21 ILE A  18      10.515   1.647  -4.932  1.00  0.00           H   new
ATOM      0 HG22 ILE A  18      11.884   1.739  -3.799  1.00  0.00           H   new
ATOM      0 HG23 ILE A  18      11.479   0.193  -4.582  1.00  0.00           H   new
ATOM      0 HD11 ILE A  18       8.383  -1.540  -4.898  1.00  0.00           H   new
ATOM      0 HD12 ILE A  18       9.679  -0.445  -5.433  1.00  0.00           H   new
ATOM      0 HD13 ILE A  18      10.019  -1.700  -4.217  1.00  0.00           H   new
ATOM    260  N   ASP A  19      11.795   1.530  -0.264  1.00  0.00           N
ATOM    261  CA  ASP A  19      12.830   2.316   0.386  1.00  0.00           C
ATOM    262  C   ASP A  19      13.176   3.522  -0.490  1.00  0.00           C
ATOM    263  O   ASP A  19      13.897   3.389  -1.478  1.00  0.00           O
ATOM    264  CB  ASP A  19      14.105   1.494   0.582  1.00  0.00           C
ATOM    265  CG  ASP A  19      15.018   1.974   1.712  1.00  0.00           C
ATOM    266  OD1 ASP A  19      14.470   2.547   2.679  1.00  0.00           O
ATOM    267  OD2 ASP A  19      16.242   1.758   1.584  1.00  0.00           O
ATOM      0  H   ASP A  19      10.871   1.605   0.162  1.00  0.00           H   new
ATOM      0  HA  ASP A  19      12.451   2.632   1.358  1.00  0.00           H   new
ATOM      0  HB2 ASP A  19      13.825   0.459   0.777  1.00  0.00           H   new
ATOM      0  HB3 ASP A  19      14.671   1.502  -0.350  1.00  0.00           H   new
ATOM    272  N   GLY A  20      12.645   4.671  -0.097  1.00  0.00           N
ATOM    273  CA  GLY A  20      12.887   5.899  -0.834  1.00  0.00           C
ATOM    274  C   GLY A  20      12.965   7.099   0.110  1.00  0.00           C
ATOM    275  O   GLY A  20      13.545   7.006   1.191  1.00  0.00           O
ATOM      0  H   GLY A  20      12.048   4.777   0.723  1.00  0.00           H   new
ATOM      0  HA2 GLY A  20      13.817   5.813  -1.396  1.00  0.00           H   new
ATOM      0  HA3 GLY A  20      12.089   6.055  -1.560  1.00  0.00           H   new
TER     279      GLY A  20