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+   -167:sc= -0.0919   (180deg=-0.369)
USER  MOD Single : A  12 ASN     :      amide:sc=   -0.76  X(o=-0.76,f=-1!)
USER  MOD Single : A  17 MET CE  :methyl  180:sc=       0   (180deg=0)
USER  MOD -----------------------------------------------------------------
ATOM      1  N   GLY A   1     -14.643  -3.678   1.580  1.00  0.00           N
ATOM      2  CA  GLY A   1     -14.298  -2.273   1.449  1.00  0.00           C
ATOM      3  C   GLY A   1     -12.858  -2.016   1.898  1.00  0.00           C
ATOM      4  O   GLY A   1     -12.215  -1.080   1.429  1.00  0.00           O
ATOM      0  H1  GLY A   1     -15.531  -3.866   1.072  1.00  0.00           H   new
ATOM      0  H2  GLY A   1     -13.883  -4.261   1.176  1.00  0.00           H   new
ATOM      0  H3  GLY A   1     -14.763  -3.914   2.586  1.00  0.00           H   new
ATOM      0  HA2 GLY A   1     -14.420  -1.960   0.412  1.00  0.00           H   new
ATOM      0  HA3 GLY A   1     -14.982  -1.670   2.046  1.00  0.00           H   new
ATOM      8  N   LEU A   2     -12.395  -2.865   2.803  1.00  0.00           N
ATOM      9  CA  LEU A   2     -11.043  -2.743   3.322  1.00  0.00           C
ATOM     10  C   LEU A   2     -10.050  -3.241   2.269  1.00  0.00           C
ATOM     11  O   LEU A   2      -9.084  -2.552   1.948  1.00  0.00           O
ATOM     12  CB  LEU A   2     -10.920  -3.457   4.670  1.00  0.00           C
ATOM     13  CG  LEU A   2      -9.923  -2.850   5.661  1.00  0.00           C
ATOM     14  CD1 LEU A   2     -10.476  -1.562   6.275  1.00  0.00           C
ATOM     15  CD2 LEU A   2      -9.525  -3.870   6.731  1.00  0.00           C
ATOM      0  H   LEU A   2     -12.932  -3.641   3.191  1.00  0.00           H   new
ATOM      0  HA  LEU A   2     -10.803  -1.698   3.518  1.00  0.00           H   new
ATOM      0  HB2 LEU A   2     -11.903  -3.476   5.140  1.00  0.00           H   new
ATOM      0  HB3 LEU A   2     -10.634  -4.493   4.486  1.00  0.00           H   new
ATOM      0  HG  LEU A   2      -9.017  -2.584   5.116  1.00  0.00           H   new
ATOM      0 HD11 LEU A   2      -9.749  -1.151   6.975  1.00  0.00           H   new
ATOM      0 HD12 LEU A   2     -10.669  -0.836   5.485  1.00  0.00           H   new
ATOM      0 HD13 LEU A   2     -11.404  -1.780   6.803  1.00  0.00           H   new
ATOM      0 HD21 LEU A   2      -8.816  -3.414   7.422  1.00  0.00           H   new
ATOM      0 HD22 LEU A   2     -10.412  -4.188   7.278  1.00  0.00           H   new
ATOM      0 HD23 LEU A   2      -9.063  -4.735   6.255  1.00  0.00           H   new
ATOM     27  N   PHE A   3     -10.324  -4.434   1.763  1.00  0.00           N
ATOM     28  CA  PHE A   3      -9.467  -5.032   0.753  1.00  0.00           C
ATOM     29  C   PHE A   3      -9.311  -4.104  -0.454  1.00  0.00           C
ATOM     30  O   PHE A   3      -8.342  -4.211  -1.203  1.00  0.00           O
ATOM     31  CB  PHE A   3     -10.144  -6.327   0.301  1.00  0.00           C
ATOM     32  CG  PHE A   3      -9.169  -7.469   0.005  1.00  0.00           C
ATOM     33  CD1 PHE A   3      -8.532  -8.101   1.027  1.00  0.00           C
ATOM     34  CD2 PHE A   3      -8.941  -7.852  -1.279  1.00  0.00           C
ATOM     35  CE1 PHE A   3      -7.627  -9.161   0.753  1.00  0.00           C
ATOM     36  CE2 PHE A   3      -8.036  -8.912  -1.554  1.00  0.00           C
ATOM     37  CZ  PHE A   3      -7.399  -9.543  -0.533  1.00  0.00           C
ATOM      0  H   PHE A   3     -11.127  -5.003   2.033  1.00  0.00           H   new
ATOM      0  HA  PHE A   3      -8.476  -5.214   1.168  1.00  0.00           H   new
ATOM      0  HB2 PHE A   3     -10.841  -6.649   1.074  1.00  0.00           H   new
ATOM      0  HB3 PHE A   3     -10.732  -6.124  -0.594  1.00  0.00           H   new
ATOM      0  HD1 PHE A   3      -8.714  -7.797   2.047  1.00  0.00           H   new
ATOM      0  HD2 PHE A   3      -9.448  -7.351  -2.090  1.00  0.00           H   new
ATOM      0  HE1 PHE A   3      -7.121  -9.663   1.564  1.00  0.00           H   new
ATOM      0  HE2 PHE A   3      -7.854  -9.216  -2.574  1.00  0.00           H   new
ATOM      0  HZ  PHE A   3      -6.711 -10.349  -0.742  1.00  0.00           H   new
ATOM     47  N   GLY A   4     -10.281  -3.214  -0.605  1.00  0.00           N
ATOM     48  CA  GLY A   4     -10.264  -2.268  -1.707  1.00  0.00           C
ATOM     49  C   GLY A   4      -9.506  -0.995  -1.326  1.00  0.00           C
ATOM     50  O   GLY A   4      -9.052  -0.253  -2.197  1.00  0.00           O
ATOM      0  H   GLY A   4     -11.084  -3.128   0.018  1.00  0.00           H   new
ATOM      0  HA2 GLY A   4      -9.796  -2.727  -2.578  1.00  0.00           H   new
ATOM      0  HA3 GLY A   4     -11.286  -2.016  -1.990  1.00  0.00           H   new
ATOM     54  N   ALA A   5      -9.393  -0.780  -0.023  1.00  0.00           N
ATOM     55  CA  ALA A   5      -8.699   0.391   0.484  1.00  0.00           C
ATOM     56  C   ALA A   5      -7.194   0.114   0.512  1.00  0.00           C
ATOM     57  O   ALA A   5      -6.387   1.039   0.416  1.00  0.00           O
ATOM     58  CB  ALA A   5      -9.251   0.755   1.865  1.00  0.00           C
ATOM      0  H   ALA A   5      -9.770  -1.397   0.696  1.00  0.00           H   new
ATOM      0  HA  ALA A   5      -8.865   1.248  -0.169  1.00  0.00           H   new
ATOM      0  HB1 ALA A   5      -8.730   1.634   2.245  1.00  0.00           H   new
ATOM      0  HB2 ALA A   5     -10.316   0.971   1.786  1.00  0.00           H   new
ATOM      0  HB3 ALA A   5      -9.100  -0.080   2.549  1.00  0.00           H   new
ATOM     64  N   ILE A   6      -6.863  -1.161   0.644  1.00  0.00           N
ATOM     65  CA  ILE A   6      -5.469  -1.571   0.686  1.00  0.00           C
ATOM     66  C   ILE A   6      -4.695  -0.844  -0.416  1.00  0.00           C
ATOM     67  O   ILE A   6      -3.592  -0.351  -0.182  1.00  0.00           O
ATOM     68  CB  ILE A   6      -5.357  -3.095   0.612  1.00  0.00           C
ATOM     69  CG1 ILE A   6      -6.179  -3.759   1.719  1.00  0.00           C
ATOM     70  CG2 ILE A   6      -3.893  -3.540   0.640  1.00  0.00           C
ATOM     71  CD1 ILE A   6      -5.815  -5.239   1.858  1.00  0.00           C
ATOM      0  H   ILE A   6      -7.535  -1.924   0.723  1.00  0.00           H   new
ATOM      0  HA  ILE A   6      -5.016  -1.286   1.636  1.00  0.00           H   new
ATOM      0  HB  ILE A   6      -5.774  -3.422  -0.340  1.00  0.00           H   new
ATOM      0 HG12 ILE A   6      -6.003  -3.247   2.665  1.00  0.00           H   new
ATOM      0 HG13 ILE A   6      -7.242  -3.661   1.497  1.00  0.00           H   new
ATOM      0 HG21 ILE A   6      -3.842  -4.627   0.586  1.00  0.00           H   new
ATOM      0 HG22 ILE A   6      -3.366  -3.110  -0.211  1.00  0.00           H   new
ATOM      0 HG23 ILE A   6      -3.427  -3.200   1.565  1.00  0.00           H   new
ATOM      0 HD11 ILE A   6      -6.413  -5.688   2.651  1.00  0.00           H   new
ATOM      0 HD12 ILE A   6      -6.015  -5.753   0.918  1.00  0.00           H   new
ATOM      0 HD13 ILE A   6      -4.757  -5.332   2.104  1.00  0.00           H   new
ATOM     83  N   ALA A   7      -5.302  -0.800  -1.592  1.00  0.00           N
ATOM     84  CA  ALA A   7      -4.684  -0.141  -2.729  1.00  0.00           C
ATOM     85  C   ALA A   7      -4.148   1.224  -2.294  1.00  0.00           C
ATOM     86  O   ALA A   7      -3.040   1.609  -2.666  1.00  0.00           O
ATOM     87  CB  ALA A   7      -5.697  -0.033  -3.871  1.00  0.00           C
ATOM      0  H   ALA A   7      -6.216  -1.210  -1.782  1.00  0.00           H   new
ATOM      0  HA  ALA A   7      -3.840  -0.724  -3.097  1.00  0.00           H   new
ATOM      0  HB1 ALA A   7      -5.232   0.462  -4.724  1.00  0.00           H   new
ATOM      0  HB2 ALA A   7      -6.023  -1.031  -4.164  1.00  0.00           H   new
ATOM      0  HB3 ALA A   7      -6.558   0.547  -3.540  1.00  0.00           H   new
ATOM     93  N   GLY A   8      -4.959   1.920  -1.511  1.00  0.00           N
ATOM     94  CA  GLY A   8      -4.581   3.234  -1.020  1.00  0.00           C
ATOM     95  C   GLY A   8      -3.387   3.141  -0.068  1.00  0.00           C
ATOM     96  O   GLY A   8      -2.588   4.072   0.023  1.00  0.00           O
ATOM      0  H   GLY A   8      -5.877   1.598  -1.204  1.00  0.00           H   new
ATOM      0  HA2 GLY A   8      -4.331   3.882  -1.860  1.00  0.00           H   new
ATOM      0  HA3 GLY A   8      -5.426   3.691  -0.505  1.00  0.00           H   new
ATOM    100  N   PHE A   9      -3.304   2.011   0.617  1.00  0.00           N
ATOM    101  CA  PHE A   9      -2.221   1.784   1.558  1.00  0.00           C
ATOM    102  C   PHE A   9      -0.930   1.404   0.828  1.00  0.00           C
ATOM    103  O   PHE A   9       0.165   1.609   1.350  1.00  0.00           O
ATOM    104  CB  PHE A   9      -2.645   0.621   2.457  1.00  0.00           C
ATOM    105  CG  PHE A   9      -2.277   0.807   3.931  1.00  0.00           C
ATOM    106  CD1 PHE A   9      -0.979   0.997   4.288  1.00  0.00           C
ATOM    107  CD2 PHE A   9      -3.249   0.782   4.882  1.00  0.00           C
ATOM    108  CE1 PHE A   9      -0.637   1.169   5.656  1.00  0.00           C
ATOM    109  CE2 PHE A   9      -2.907   0.954   6.250  1.00  0.00           C
ATOM    110  CZ  PHE A   9      -1.609   1.144   6.607  1.00  0.00           C
ATOM      0  H   PHE A   9      -3.970   1.242   0.539  1.00  0.00           H   new
ATOM      0  HA  PHE A   9      -2.030   2.692   2.130  1.00  0.00           H   new
ATOM      0  HB2 PHE A   9      -3.724   0.488   2.377  1.00  0.00           H   new
ATOM      0  HB3 PHE A   9      -2.182  -0.295   2.091  1.00  0.00           H   new
ATOM      0  HD1 PHE A   9      -0.208   1.017   3.532  1.00  0.00           H   new
ATOM      0  HD2 PHE A   9      -4.280   0.632   4.597  1.00  0.00           H   new
ATOM      0  HE1 PHE A   9       0.394   1.319   5.941  1.00  0.00           H   new
ATOM      0  HE2 PHE A   9      -3.678   0.934   7.006  1.00  0.00           H   new
ATOM      0  HZ  PHE A   9      -1.349   1.275   7.647  1.00  0.00           H   new
ATOM    120  N   ILE A  10      -1.103   0.858  -0.366  1.00  0.00           N
ATOM    121  CA  ILE A  10       0.034   0.449  -1.172  1.00  0.00           C
ATOM    122  C   ILE A  10       0.952   1.651  -1.402  1.00  0.00           C
ATOM    123  O   ILE A  10       2.158   1.491  -1.587  1.00  0.00           O
ATOM    124  CB  ILE A  10      -0.438  -0.219  -2.466  1.00  0.00           C
ATOM    125  CG1 ILE A  10      -1.339  -1.420  -2.165  1.00  0.00           C
ATOM    126  CG2 ILE A  10       0.749  -0.601  -3.352  1.00  0.00           C
ATOM    127  CD1 ILE A  10      -1.515  -2.296  -3.407  1.00  0.00           C
ATOM      0  H   ILE A  10      -2.013   0.689  -0.795  1.00  0.00           H   new
ATOM      0  HA  ILE A  10       0.620  -0.304  -0.646  1.00  0.00           H   new
ATOM      0  HB  ILE A  10      -1.036   0.502  -3.024  1.00  0.00           H   new
ATOM      0 HG12 ILE A  10      -0.907  -2.010  -1.357  1.00  0.00           H   new
ATOM      0 HG13 ILE A  10      -2.313  -1.072  -1.820  1.00  0.00           H   new
ATOM      0 HG21 ILE A  10       0.385  -1.074  -4.264  1.00  0.00           H   new
ATOM      0 HG22 ILE A  10       1.315   0.295  -3.608  1.00  0.00           H   new
ATOM      0 HG23 ILE A  10       1.394  -1.297  -2.816  1.00  0.00           H   new
ATOM      0 HD11 ILE A  10      -2.159  -3.142  -3.167  1.00  0.00           H   new
ATOM      0 HD12 ILE A  10      -1.970  -1.709  -4.205  1.00  0.00           H   new
ATOM      0 HD13 ILE A  10      -0.542  -2.662  -3.735  1.00  0.00           H   new
ATOM    139  N   GLU A  11       0.346   2.829  -1.381  1.00  0.00           N
ATOM    140  CA  GLU A  11       1.094   4.059  -1.584  1.00  0.00           C
ATOM    141  C   GLU A  11       2.154   4.222  -0.493  1.00  0.00           C
ATOM    142  O   GLU A  11       3.125   4.957  -0.671  1.00  0.00           O
ATOM    143  CB  GLU A  11       0.158   5.269  -1.624  1.00  0.00           C
ATOM    144  CG  GLU A  11      -0.178   5.750  -0.211  1.00  0.00           C
ATOM    145  CD  GLU A  11      -1.239   6.852  -0.245  1.00  0.00           C
ATOM    146  OE1 GLU A  11      -1.404   7.447  -1.331  1.00  0.00           O
ATOM    147  OE2 GLU A  11      -1.859   7.075   0.817  1.00  0.00           O
ATOM      0  H   GLU A  11      -0.654   2.958  -1.227  1.00  0.00           H   new
ATOM      0  HA  GLU A  11       1.599   3.999  -2.548  1.00  0.00           H   new
ATOM      0  HB2 GLU A  11       0.627   6.077  -2.185  1.00  0.00           H   new
ATOM      0  HB3 GLU A  11      -0.760   5.006  -2.150  1.00  0.00           H   new
ATOM      0  HG2 GLU A  11      -0.538   4.912   0.386  1.00  0.00           H   new
ATOM      0  HG3 GLU A  11       0.724   6.123   0.274  1.00  0.00           H   new
ATOM    154  N   ASN A  12       1.932   3.525   0.611  1.00  0.00           N
ATOM    155  CA  ASN A  12       2.857   3.584   1.731  1.00  0.00           C
ATOM    156  C   ASN A  12       3.533   2.221   1.900  1.00  0.00           C
ATOM    157  O   ASN A  12       4.706   2.147   2.266  1.00  0.00           O
ATOM    158  CB  ASN A  12       2.125   3.912   3.034  1.00  0.00           C
ATOM    159  CG  ASN A  12       1.855   5.414   3.146  1.00  0.00           C
ATOM    160  OD1 ASN A  12       2.584   6.243   2.629  1.00  0.00           O
ATOM    161  ND2 ASN A  12       0.767   5.717   3.851  1.00  0.00           N
ATOM      0  H   ASN A  12       1.126   2.917   0.755  1.00  0.00           H   new
ATOM      0  HA  ASN A  12       3.589   4.364   1.523  1.00  0.00           H   new
ATOM      0  HB2 ASN A  12       1.183   3.365   3.074  1.00  0.00           H   new
ATOM      0  HB3 ASN A  12       2.722   3.581   3.884  1.00  0.00           H   new
ATOM      0 HD21 ASN A  12       0.501   6.693   3.984  1.00  0.00           H   new
ATOM      0 HD22 ASN A  12       0.199   4.973   4.258  1.00  0.00           H   new
ATOM    168  N   ALA A  13       2.765   1.178   1.625  1.00  0.00           N
ATOM    169  CA  ALA A  13       3.276  -0.178   1.742  1.00  0.00           C
ATOM    170  C   ALA A  13       4.185  -0.480   0.550  1.00  0.00           C
ATOM    171  O   ALA A  13       4.935  -1.456   0.569  1.00  0.00           O
ATOM    172  CB  ALA A  13       2.104  -1.157   1.845  1.00  0.00           C
ATOM      0  H   ALA A  13       1.793   1.243   1.322  1.00  0.00           H   new
ATOM      0  HA  ALA A  13       3.873  -0.287   2.647  1.00  0.00           H   new
ATOM      0  HB1 ALA A  13       2.486  -2.174   1.933  1.00  0.00           H   new
ATOM      0  HB2 ALA A  13       1.506  -0.917   2.724  1.00  0.00           H   new
ATOM      0  HB3 ALA A  13       1.484  -1.078   0.952  1.00  0.00           H   new
ATOM    178  N   TRP A  14       4.089   0.374  -0.458  1.00  0.00           N
ATOM    179  CA  TRP A  14       4.895   0.210  -1.657  1.00  0.00           C
ATOM    180  C   TRP A  14       6.059   1.201  -1.583  1.00  0.00           C
ATOM    181  O   TRP A  14       7.190   0.815  -1.293  1.00  0.00           O
ATOM    182  CB  TRP A  14       4.044   0.380  -2.917  1.00  0.00           C
ATOM    183  CG  TRP A  14       4.738  -0.075  -4.202  1.00  0.00           C
ATOM    184  CD1 TRP A  14       5.782  -0.905  -4.327  1.00  0.00           C
ATOM    185  CD2 TRP A  14       4.391   0.312  -5.549  1.00  0.00           C
ATOM    186  NE1 TRP A  14       6.133  -1.081  -5.650  1.00  0.00           N
ATOM    187  CE2 TRP A  14       5.261  -0.318  -6.417  1.00  0.00           C
ATOM    188  CE3 TRP A  14       3.378   1.165  -6.018  1.00  0.00           C
ATOM    189  CZ2 TRP A  14       5.204  -0.159  -7.806  1.00  0.00           C
ATOM    190  CZ3 TRP A  14       3.334   1.313  -7.410  1.00  0.00           C
ATOM    191  CH2 TRP A  14       4.202   0.686  -8.298  1.00  0.00           C
ATOM      0  H   TRP A  14       3.466   1.181  -0.470  1.00  0.00           H   new
ATOM      0  HA  TRP A  14       5.301  -0.800  -1.714  1.00  0.00           H   new
ATOM      0  HB2 TRP A  14       3.119  -0.183  -2.797  1.00  0.00           H   new
ATOM      0  HB3 TRP A  14       3.767   1.430  -3.018  1.00  0.00           H   new
ATOM      0  HD1 TRP A  14       6.286  -1.377  -3.497  1.00  0.00           H   new
ATOM      0  HE1 TRP A  14       6.893  -1.664  -6.000  1.00  0.00           H   new
ATOM      0  HE3 TRP A  14       2.687   1.667  -5.357  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  14       5.897  -0.662  -8.464  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  14       2.573   1.959  -7.823  1.00  0.00           H   new
ATOM      0  HH2 TRP A  14       4.104   0.850  -9.361  1.00  0.00           H   new
ATOM    202  N   GLU A  15       5.741   2.459  -1.851  1.00  0.00           N
ATOM    203  CA  GLU A  15       6.745   3.508  -1.819  1.00  0.00           C
ATOM    204  C   GLU A  15       7.725   3.270  -0.668  1.00  0.00           C
ATOM    205  O   GLU A  15       8.910   3.577  -0.784  1.00  0.00           O
ATOM    206  CB  GLU A  15       6.094   4.888  -1.708  1.00  0.00           C
ATOM    207  CG  GLU A  15       5.759   5.220  -0.253  1.00  0.00           C
ATOM    208  CD  GLU A  15       5.081   6.588  -0.146  1.00  0.00           C
ATOM    209  OE1 GLU A  15       5.481   7.482  -0.924  1.00  0.00           O
ATOM    210  OE2 GLU A  15       4.180   6.710   0.711  1.00  0.00           O
ATOM      0  H   GLU A  15       4.802   2.775  -2.091  1.00  0.00           H   new
ATOM      0  HA  GLU A  15       7.301   3.480  -2.756  1.00  0.00           H   new
ATOM      0  HB2 GLU A  15       6.766   5.645  -2.112  1.00  0.00           H   new
ATOM      0  HB3 GLU A  15       5.185   4.915  -2.310  1.00  0.00           H   new
ATOM      0  HG2 GLU A  15       5.104   4.452   0.158  1.00  0.00           H   new
ATOM      0  HG3 GLU A  15       6.671   5.214   0.345  1.00  0.00           H   new
ATOM    217  N   GLY A  16       7.193   2.726   0.416  1.00  0.00           N
ATOM    218  CA  GLY A  16       8.006   2.443   1.588  1.00  0.00           C
ATOM    219  C   GLY A  16       8.963   1.281   1.323  1.00  0.00           C
ATOM    220  O   GLY A  16      10.161   1.387   1.581  1.00  0.00           O
ATOM      0  H   GLY A  16       6.209   2.473   0.508  1.00  0.00           H   new
ATOM      0  HA2 GLY A  16       8.574   3.331   1.864  1.00  0.00           H   new
ATOM      0  HA3 GLY A  16       7.361   2.202   2.433  1.00  0.00           H   new
ATOM    224  N   MET A  17       8.400   0.196   0.809  1.00  0.00           N
ATOM    225  CA  MET A  17       9.190  -0.985   0.506  1.00  0.00           C
ATOM    226  C   MET A  17      10.147  -0.721  -0.658  1.00  0.00           C
ATOM    227  O   MET A  17      11.009  -1.547  -0.956  1.00  0.00           O
ATOM    228  CB  MET A  17       8.257  -2.144   0.147  1.00  0.00           C
ATOM    229  CG  MET A  17       8.379  -3.281   1.163  1.00  0.00           C
ATOM    230  SD  MET A  17       9.974  -4.069   1.009  1.00  0.00           S
ATOM    231  CE  MET A  17       9.519  -5.760   1.357  1.00  0.00           C
ATOM      0  H   MET A  17       7.406   0.111   0.595  1.00  0.00           H   new
ATOM      0  HA  MET A  17       9.780  -1.240   1.386  1.00  0.00           H   new
ATOM      0  HB2 MET A  17       7.227  -1.790   0.115  1.00  0.00           H   new
ATOM      0  HB3 MET A  17       8.498  -2.514  -0.849  1.00  0.00           H   new
ATOM      0  HG2 MET A  17       8.252  -2.892   2.173  1.00  0.00           H   new
ATOM      0  HG3 MET A  17       7.586  -4.011   1.001  1.00  0.00           H   new
ATOM      0  HE1 MET A  17      10.404  -6.394   1.303  1.00  0.00           H   new
ATOM      0  HE2 MET A  17       9.089  -5.823   2.357  1.00  0.00           H   new
ATOM      0  HE3 MET A  17       8.786  -6.098   0.625  1.00  0.00           H   new
ATOM    241  N   ILE A  18       9.963   0.431  -1.284  1.00  0.00           N
ATOM    242  CA  ILE A  18      10.799   0.814  -2.408  1.00  0.00           C
ATOM    243  C   ILE A  18      12.001   1.612  -1.897  1.00  0.00           C
ATOM    244  O   ILE A  18      13.076   1.572  -2.492  1.00  0.00           O
ATOM    245  CB  ILE A  18       9.975   1.554  -3.462  1.00  0.00           C
ATOM    246  CG1 ILE A  18       8.963   0.617  -4.125  1.00  0.00           C
ATOM    247  CG2 ILE A  18      10.882   2.237  -4.489  1.00  0.00           C
ATOM    248  CD1 ILE A  18       8.116   1.364  -5.156  1.00  0.00           C
ATOM      0  H   ILE A  18       9.246   1.112  -1.034  1.00  0.00           H   new
ATOM      0  HA  ILE A  18      11.192  -0.071  -2.908  1.00  0.00           H   new
ATOM      0  HB  ILE A  18       9.408   2.339  -2.962  1.00  0.00           H   new
ATOM      0 HG12 ILE A  18       9.488  -0.207  -4.609  1.00  0.00           H   new
ATOM      0 HG13 ILE A  18       8.315   0.180  -3.365  1.00  0.00           H   new
ATOM      0 HG21 ILE A  18      10.270   2.756  -5.227  1.00  0.00           H   new
ATOM      0 HG22 ILE A  18      11.528   2.955  -3.984  1.00  0.00           H   new
ATOM      0 HG23 ILE A  18      11.495   1.487  -4.989  1.00  0.00           H   new
ATOM      0 HD11 ILE A  18       7.405   0.674  -5.612  1.00  0.00           H   new
ATOM      0 HD12 ILE A  18       7.574   2.172  -4.665  1.00  0.00           H   new
ATOM      0 HD13 ILE A  18       8.764   1.779  -5.928  1.00  0.00           H   new
ATOM    260  N   ASP A  19      11.778   2.316  -0.796  1.00  0.00           N
ATOM    261  CA  ASP A  19      12.829   3.122  -0.197  1.00  0.00           C
ATOM    262  C   ASP A  19      13.503   2.323   0.919  1.00  0.00           C
ATOM    263  O   ASP A  19      13.101   1.199   1.214  1.00  0.00           O
ATOM    264  CB  ASP A  19      12.260   4.403   0.415  1.00  0.00           C
ATOM    265  CG  ASP A  19      12.429   5.659  -0.440  1.00  0.00           C
ATOM    266  OD1 ASP A  19      13.440   5.715  -1.174  1.00  0.00           O
ATOM    267  OD2 ASP A  19      11.544   6.537  -0.342  1.00  0.00           O
ATOM      0  H   ASP A  19      10.885   2.345  -0.303  1.00  0.00           H   new
ATOM      0  HA  ASP A  19      13.542   3.383  -0.979  1.00  0.00           H   new
ATOM      0  HB2 ASP A  19      11.198   4.254   0.609  1.00  0.00           H   new
ATOM      0  HB3 ASP A  19      12.740   4.571   1.379  1.00  0.00           H   new