USER  MOD reduce.3.24.130724 H: found=0, std=0, add=135, rem=0, adj=1
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= -0.0568   (180deg=-0.351)
USER  MOD Single : A  12 ASN     :      amide:sc=  -0.028  K(o=-0.028,f=-1.5)
USER  MOD Single : A  17 MET CE  :methyl  180:sc=       0   (180deg=0)
USER  MOD -----------------------------------------------------------------
ATOM      1  N   GLY A   1     -14.744  -3.405   0.865  1.00  0.00           N
ATOM      2  CA  GLY A   1     -14.355  -2.005   0.840  1.00  0.00           C
ATOM      3  C   GLY A   1     -12.938  -1.820   1.387  1.00  0.00           C
ATOM      4  O   GLY A   1     -12.243  -0.877   1.013  1.00  0.00           O
ATOM      0  H1  GLY A   1     -15.585  -3.542   0.268  1.00  0.00           H   new
ATOM      0  H2  GLY A   1     -13.963  -3.989   0.503  1.00  0.00           H   new
ATOM      0  H3  GLY A   1     -14.963  -3.687   1.842  1.00  0.00           H   new
ATOM      0  HA2 GLY A   1     -14.407  -1.628  -0.181  1.00  0.00           H   new
ATOM      0  HA3 GLY A   1     -15.057  -1.418   1.432  1.00  0.00           H   new
ATOM      8  N   LEU A   2     -12.551  -2.735   2.264  1.00  0.00           N
ATOM      9  CA  LEU A   2     -11.230  -2.684   2.866  1.00  0.00           C
ATOM     10  C   LEU A   2     -10.191  -3.153   1.846  1.00  0.00           C
ATOM     11  O   LEU A   2      -9.188  -2.479   1.623  1.00  0.00           O
ATOM     12  CB  LEU A   2     -11.208  -3.476   4.175  1.00  0.00           C
ATOM     13  CG  LEU A   2     -10.257  -2.958   5.257  1.00  0.00           C
ATOM     14  CD1 LEU A   2     -10.991  -2.043   6.238  1.00  0.00           C
ATOM     15  CD2 LEU A   2      -9.553  -4.116   5.968  1.00  0.00           C
ATOM      0  H   LEU A   2     -13.130  -3.516   2.572  1.00  0.00           H   new
ATOM      0  HA  LEU A   2     -10.973  -1.660   3.135  1.00  0.00           H   new
ATOM      0  HB2 LEU A   2     -12.218  -3.491   4.584  1.00  0.00           H   new
ATOM      0  HB3 LEU A   2     -10.940  -4.508   3.948  1.00  0.00           H   new
ATOM      0  HG  LEU A   2      -9.484  -2.359   4.776  1.00  0.00           H   new
ATOM      0 HD11 LEU A   2     -10.293  -1.689   6.997  1.00  0.00           H   new
ATOM      0 HD12 LEU A   2     -11.406  -1.191   5.700  1.00  0.00           H   new
ATOM      0 HD13 LEU A   2     -11.798  -2.597   6.718  1.00  0.00           H   new
ATOM      0 HD21 LEU A   2      -8.883  -3.721   6.732  1.00  0.00           H   new
ATOM      0 HD22 LEU A   2     -10.296  -4.761   6.436  1.00  0.00           H   new
ATOM      0 HD23 LEU A   2      -8.977  -4.692   5.243  1.00  0.00           H   new
ATOM     27  N   PHE A   3     -10.468  -4.305   1.253  1.00  0.00           N
ATOM     28  CA  PHE A   3      -9.570  -4.872   0.262  1.00  0.00           C
ATOM     29  C   PHE A   3      -9.316  -3.883  -0.877  1.00  0.00           C
ATOM     30  O   PHE A   3      -8.307  -3.979  -1.574  1.00  0.00           O
ATOM     31  CB  PHE A   3     -10.256  -6.117  -0.303  1.00  0.00           C
ATOM     32  CG  PHE A   3      -9.299  -7.271  -0.609  1.00  0.00           C
ATOM     33  CD1 PHE A   3      -8.424  -7.699   0.341  1.00  0.00           C
ATOM     34  CD2 PHE A   3      -9.322  -7.868  -1.831  1.00  0.00           C
ATOM     35  CE1 PHE A   3      -7.536  -8.769   0.058  1.00  0.00           C
ATOM     36  CE2 PHE A   3      -8.434  -8.940  -2.114  1.00  0.00           C
ATOM     37  CZ  PHE A   3      -7.560  -9.368  -1.165  1.00  0.00           C
ATOM      0  H   PHE A   3     -11.302  -4.861   1.440  1.00  0.00           H   new
ATOM      0  HA  PHE A   3      -8.611  -5.109   0.722  1.00  0.00           H   new
ATOM      0  HB2 PHE A   3     -11.007  -6.460   0.409  1.00  0.00           H   new
ATOM      0  HB3 PHE A   3     -10.784  -5.845  -1.217  1.00  0.00           H   new
ATOM      0  HD1 PHE A   3      -8.405  -7.224   1.311  1.00  0.00           H   new
ATOM      0  HD2 PHE A   3     -10.015  -7.527  -2.586  1.00  0.00           H   new
ATOM      0  HE1 PHE A   3      -6.841  -9.108   0.812  1.00  0.00           H   new
ATOM      0  HE2 PHE A   3      -8.453  -9.415  -3.084  1.00  0.00           H   new
ATOM      0  HZ  PHE A   3      -6.885 -10.183  -1.381  1.00  0.00           H   new
ATOM     47  N   GLY A   4     -10.249  -2.954  -1.031  1.00  0.00           N
ATOM     48  CA  GLY A   4     -10.139  -1.948  -2.073  1.00  0.00           C
ATOM     49  C   GLY A   4      -9.369  -0.724  -1.574  1.00  0.00           C
ATOM     50  O   GLY A   4      -8.844   0.051  -2.372  1.00  0.00           O
ATOM      0  H   GLY A   4     -11.085  -2.877  -0.451  1.00  0.00           H   new
ATOM      0  HA2 GLY A   4      -9.633  -2.372  -2.940  1.00  0.00           H   new
ATOM      0  HA3 GLY A   4     -11.134  -1.647  -2.400  1.00  0.00           H   new
ATOM     54  N   ALA A   5      -9.329  -0.586  -0.257  1.00  0.00           N
ATOM     55  CA  ALA A   5      -8.633   0.531   0.357  1.00  0.00           C
ATOM     56  C   ALA A   5      -7.141   0.205   0.457  1.00  0.00           C
ATOM     57  O   ALA A   5      -6.304   1.106   0.470  1.00  0.00           O
ATOM     58  CB  ALA A   5      -9.255   0.832   1.723  1.00  0.00           C
ATOM      0  H   ALA A   5      -9.768  -1.230   0.402  1.00  0.00           H   new
ATOM      0  HA  ALA A   5      -8.735   1.428  -0.254  1.00  0.00           H   new
ATOM      0  HB1 ALA A   5      -8.733   1.670   2.184  1.00  0.00           H   new
ATOM      0  HB2 ALA A   5     -10.307   1.086   1.596  1.00  0.00           H   new
ATOM      0  HB3 ALA A   5      -9.169  -0.046   2.364  1.00  0.00           H   new
ATOM     64  N   ILE A   6      -6.854  -1.087   0.523  1.00  0.00           N
ATOM     65  CA  ILE A   6      -5.477  -1.543   0.620  1.00  0.00           C
ATOM     66  C   ILE A   6      -4.619  -0.780  -0.390  1.00  0.00           C
ATOM     67  O   ILE A   6      -3.518  -0.338  -0.067  1.00  0.00           O
ATOM     68  CB  ILE A   6      -5.404  -3.064   0.466  1.00  0.00           C
ATOM     69  CG1 ILE A   6      -6.310  -3.762   1.483  1.00  0.00           C
ATOM     70  CG2 ILE A   6      -3.959  -3.555   0.555  1.00  0.00           C
ATOM     71  CD1 ILE A   6      -5.999  -5.258   1.558  1.00  0.00           C
ATOM      0  H   ILE A   6      -7.551  -1.832   0.511  1.00  0.00           H   new
ATOM      0  HA  ILE A   6      -5.073  -1.327   1.609  1.00  0.00           H   new
ATOM      0  HB  ILE A   6      -5.772  -3.325  -0.526  1.00  0.00           H   new
ATOM      0 HG12 ILE A   6      -6.176  -3.309   2.466  1.00  0.00           H   new
ATOM      0 HG13 ILE A   6      -7.354  -3.617   1.205  1.00  0.00           H   new
ATOM      0 HG21 ILE A   6      -3.935  -4.639   0.443  1.00  0.00           H   new
ATOM      0 HG22 ILE A   6      -3.369  -3.095  -0.238  1.00  0.00           H   new
ATOM      0 HG23 ILE A   6      -3.541  -3.282   1.524  1.00  0.00           H   new
ATOM      0 HD11 ILE A   6      -6.657  -5.730   2.288  1.00  0.00           H   new
ATOM      0 HD12 ILE A   6      -6.157  -5.712   0.580  1.00  0.00           H   new
ATOM      0 HD13 ILE A   6      -4.961  -5.399   1.860  1.00  0.00           H   new
ATOM     83  N   ALA A   7      -5.155  -0.650  -1.595  1.00  0.00           N
ATOM     84  CA  ALA A   7      -4.453   0.051  -2.656  1.00  0.00           C
ATOM     85  C   ALA A   7      -3.900   1.369  -2.110  1.00  0.00           C
ATOM     86  O   ALA A   7      -2.767   1.742  -2.409  1.00  0.00           O
ATOM     87  CB  ALA A   7      -5.396   0.260  -3.843  1.00  0.00           C
ATOM      0  H   ALA A   7      -6.068  -1.019  -1.860  1.00  0.00           H   new
ATOM      0  HA  ALA A   7      -3.608  -0.539  -3.013  1.00  0.00           H   new
ATOM      0  HB1 ALA A   7      -4.868   0.786  -4.639  1.00  0.00           H   new
ATOM      0  HB2 ALA A   7      -5.737  -0.707  -4.212  1.00  0.00           H   new
ATOM      0  HB3 ALA A   7      -6.255   0.851  -3.525  1.00  0.00           H   new
ATOM     93  N   GLY A   8      -4.727   2.038  -1.320  1.00  0.00           N
ATOM     94  CA  GLY A   8      -4.335   3.308  -0.731  1.00  0.00           C
ATOM     95  C   GLY A   8      -3.186   3.120   0.262  1.00  0.00           C
ATOM     96  O   GLY A   8      -2.357   4.012   0.433  1.00  0.00           O
ATOM      0  H   GLY A   8      -5.666   1.725  -1.074  1.00  0.00           H   new
ATOM      0  HA2 GLY A   8      -4.032   3.999  -1.517  1.00  0.00           H   new
ATOM      0  HA3 GLY A   8      -5.189   3.757  -0.224  1.00  0.00           H   new
ATOM    100  N   PHE A   9      -3.173   1.952   0.889  1.00  0.00           N
ATOM    101  CA  PHE A   9      -2.140   1.636   1.860  1.00  0.00           C
ATOM    102  C   PHE A   9      -0.835   1.244   1.164  1.00  0.00           C
ATOM    103  O   PHE A   9       0.244   1.379   1.739  1.00  0.00           O
ATOM    104  CB  PHE A   9      -2.644   0.446   2.679  1.00  0.00           C
ATOM    105  CG  PHE A   9      -3.215   0.829   4.046  1.00  0.00           C
ATOM    106  CD1 PHE A   9      -2.399   0.885   5.133  1.00  0.00           C
ATOM    107  CD2 PHE A   9      -4.539   1.113   4.175  1.00  0.00           C
ATOM    108  CE1 PHE A   9      -2.929   1.239   6.402  1.00  0.00           C
ATOM    109  CE2 PHE A   9      -5.069   1.469   5.444  1.00  0.00           C
ATOM    110  CZ  PHE A   9      -4.252   1.524   6.530  1.00  0.00           C
ATOM      0  H   PHE A   9      -3.861   1.214   0.743  1.00  0.00           H   new
ATOM      0  HA  PHE A   9      -1.940   2.505   2.486  1.00  0.00           H   new
ATOM      0  HB2 PHE A   9      -3.413  -0.075   2.109  1.00  0.00           H   new
ATOM      0  HB3 PHE A   9      -1.823  -0.256   2.823  1.00  0.00           H   new
ATOM      0  HD1 PHE A   9      -1.348   0.660   5.031  1.00  0.00           H   new
ATOM      0  HD2 PHE A   9      -5.187   1.068   3.312  1.00  0.00           H   new
ATOM      0  HE1 PHE A   9      -2.281   1.282   7.265  1.00  0.00           H   new
ATOM      0  HE2 PHE A   9      -6.120   1.696   5.546  1.00  0.00           H   new
ATOM      0  HZ  PHE A   9      -4.655   1.794   7.495  1.00  0.00           H   new
ATOM    120  N   ILE A  10      -0.977   0.767  -0.063  1.00  0.00           N
ATOM    121  CA  ILE A  10       0.177   0.355  -0.844  1.00  0.00           C
ATOM    122  C   ILE A  10       1.147   1.530  -0.973  1.00  0.00           C
ATOM    123  O   ILE A  10       2.352   1.332  -1.118  1.00  0.00           O
ATOM    124  CB  ILE A  10      -0.266  -0.228  -2.189  1.00  0.00           C
ATOM    125  CG1 ILE A  10      -1.214  -1.411  -1.988  1.00  0.00           C
ATOM    126  CG2 ILE A  10       0.944  -0.601  -3.049  1.00  0.00           C
ATOM    127  CD1 ILE A  10      -1.368  -2.215  -3.281  1.00  0.00           C
ATOM      0  H   ILE A  10      -1.874   0.656  -0.536  1.00  0.00           H   new
ATOM      0  HA  ILE A  10       0.713  -0.447  -0.336  1.00  0.00           H   new
ATOM      0  HB  ILE A  10      -0.820   0.540  -2.729  1.00  0.00           H   new
ATOM      0 HG12 ILE A  10      -0.833  -2.057  -1.197  1.00  0.00           H   new
ATOM      0 HG13 ILE A  10      -2.189  -1.049  -1.662  1.00  0.00           H   new
ATOM      0 HG21 ILE A  10       0.602  -1.013  -3.999  1.00  0.00           H   new
ATOM      0 HG22 ILE A  10       1.546   0.288  -3.235  1.00  0.00           H   new
ATOM      0 HG23 ILE A  10       1.546  -1.345  -2.527  1.00  0.00           H   new
ATOM      0 HD11 ILE A  10      -2.047  -3.051  -3.111  1.00  0.00           H   new
ATOM      0 HD12 ILE A  10      -1.772  -1.572  -4.063  1.00  0.00           H   new
ATOM      0 HD13 ILE A  10      -0.395  -2.596  -3.591  1.00  0.00           H   new
ATOM    139  N   GLU A  11       0.585   2.729  -0.914  1.00  0.00           N
ATOM    140  CA  GLU A  11       1.386   3.937  -1.022  1.00  0.00           C
ATOM    141  C   GLU A  11       2.405   4.001   0.117  1.00  0.00           C
ATOM    142  O   GLU A  11       3.409   4.705   0.018  1.00  0.00           O
ATOM    143  CB  GLU A  11       0.498   5.182  -1.036  1.00  0.00           C
ATOM    144  CG  GLU A  11       0.120   5.602   0.386  1.00  0.00           C
ATOM    145  CD  GLU A  11      -0.889   6.752   0.368  1.00  0.00           C
ATOM    146  OE1 GLU A  11      -0.432   7.908   0.245  1.00  0.00           O
ATOM    147  OE2 GLU A  11      -2.098   6.448   0.478  1.00  0.00           O
ATOM      0  H   GLU A  11      -0.415   2.890  -0.793  1.00  0.00           H   new
ATOM      0  HA  GLU A  11       1.929   3.908  -1.967  1.00  0.00           H   new
ATOM      0  HB2 GLU A  11       1.020   5.999  -1.534  1.00  0.00           H   new
ATOM      0  HB3 GLU A  11      -0.405   4.982  -1.612  1.00  0.00           H   new
ATOM      0  HG2 GLU A  11      -0.303   4.751   0.920  1.00  0.00           H   new
ATOM      0  HG3 GLU A  11       1.015   5.907   0.929  1.00  0.00           H   new
ATOM    154  N   ASN A  12       2.111   3.259   1.174  1.00  0.00           N
ATOM    155  CA  ASN A  12       2.990   3.223   2.331  1.00  0.00           C
ATOM    156  C   ASN A  12       3.606   1.828   2.455  1.00  0.00           C
ATOM    157  O   ASN A  12       4.759   1.689   2.863  1.00  0.00           O
ATOM    158  CB  ASN A  12       2.216   3.514   3.619  1.00  0.00           C
ATOM    159  CG  ASN A  12       1.792   4.982   3.684  1.00  0.00           C
ATOM    160  OD1 ASN A  12       2.385   5.855   3.070  1.00  0.00           O
ATOM    161  ND2 ASN A  12       0.736   5.206   4.461  1.00  0.00           N
ATOM      0  H   ASN A  12       1.277   2.678   1.254  1.00  0.00           H   new
ATOM      0  HA  ASN A  12       3.761   3.982   2.193  1.00  0.00           H   new
ATOM      0  HB2 ASN A  12       1.335   2.875   3.670  1.00  0.00           H   new
ATOM      0  HB3 ASN A  12       2.836   3.272   4.482  1.00  0.00           H   new
ATOM      0 HD21 ASN A  12       0.376   6.154   4.571  1.00  0.00           H   new
ATOM      0 HD22 ASN A  12       0.286   4.430   4.947  1.00  0.00           H   new
ATOM    168  N   ALA A  13       2.813   0.831   2.096  1.00  0.00           N
ATOM    169  CA  ALA A  13       3.266  -0.548   2.161  1.00  0.00           C
ATOM    170  C   ALA A  13       4.214  -0.824   0.992  1.00  0.00           C
ATOM    171  O   ALA A  13       4.925  -1.828   0.989  1.00  0.00           O
ATOM    172  CB  ALA A  13       2.057  -1.484   2.165  1.00  0.00           C
ATOM      0  H   ALA A  13       1.858   0.950   1.758  1.00  0.00           H   new
ATOM      0  HA  ALA A  13       3.819  -0.727   3.083  1.00  0.00           H   new
ATOM      0  HB1 ALA A  13       2.398  -2.518   2.214  1.00  0.00           H   new
ATOM      0  HB2 ALA A  13       1.432  -1.267   3.031  1.00  0.00           H   new
ATOM      0  HB3 ALA A  13       1.479  -1.335   1.253  1.00  0.00           H   new
ATOM    178  N   TRP A  14       4.192   0.083   0.027  1.00  0.00           N
ATOM    179  CA  TRP A  14       5.041  -0.050  -1.145  1.00  0.00           C
ATOM    180  C   TRP A  14       6.237   0.889  -0.974  1.00  0.00           C
ATOM    181  O   TRP A  14       7.339   0.444  -0.659  1.00  0.00           O
ATOM    182  CB  TRP A  14       4.251   0.217  -2.428  1.00  0.00           C
ATOM    183  CG  TRP A  14       4.980  -0.198  -3.706  1.00  0.00           C
ATOM    184  CD1 TRP A  14       5.997  -1.062  -3.833  1.00  0.00           C
ATOM    185  CD2 TRP A  14       4.706   0.270  -5.044  1.00  0.00           C
ATOM    186  NE1 TRP A  14       6.396  -1.183  -5.149  1.00  0.00           N
ATOM    187  CE2 TRP A  14       5.586  -0.348  -5.908  1.00  0.00           C
ATOM    188  CE3 TRP A  14       3.744   1.186  -5.508  1.00  0.00           C
ATOM    189  CZ2 TRP A  14       5.594  -0.117  -7.289  1.00  0.00           C
ATOM    190  CZ3 TRP A  14       3.765   1.405  -6.890  1.00  0.00           C
ATOM    191  CH2 TRP A  14       4.645   0.791  -7.774  1.00  0.00           C
ATOM      0  H   TRP A  14       3.600   0.913   0.032  1.00  0.00           H   new
ATOM      0  HA  TRP A  14       5.411  -1.071  -1.238  1.00  0.00           H   new
ATOM      0  HB2 TRP A  14       3.301  -0.315  -2.375  1.00  0.00           H   new
ATOM      0  HB3 TRP A  14       4.018   1.280  -2.484  1.00  0.00           H   new
ATOM      0  HD1 TRP A  14       6.447  -1.596  -3.009  1.00  0.00           H   new
ATOM      0  HE1 TRP A  14       7.148  -1.777  -5.500  1.00  0.00           H   new
ATOM      0  HE3 TRP A  14       3.045   1.681  -4.850  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  14       6.295  -0.613  -7.945  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  14       3.047   2.100  -7.299  1.00  0.00           H   new
ATOM      0  HH2 TRP A  14       4.597   1.013  -8.830  1.00  0.00           H   new
ATOM    202  N   GLU A  15       5.977   2.170  -1.188  1.00  0.00           N
ATOM    203  CA  GLU A  15       7.018   3.176  -1.059  1.00  0.00           C
ATOM    204  C   GLU A  15       7.939   2.841   0.115  1.00  0.00           C
ATOM    205  O   GLU A  15       9.132   3.139   0.079  1.00  0.00           O
ATOM    206  CB  GLU A  15       6.415   4.573  -0.902  1.00  0.00           C
ATOM    207  CG  GLU A  15       7.303   5.631  -1.559  1.00  0.00           C
ATOM    208  CD  GLU A  15       6.927   5.827  -3.029  1.00  0.00           C
ATOM    209  OE1 GLU A  15       5.775   6.247  -3.269  1.00  0.00           O
ATOM    210  OE2 GLU A  15       7.802   5.552  -3.879  1.00  0.00           O
ATOM      0  H   GLU A  15       5.061   2.535  -1.450  1.00  0.00           H   new
ATOM      0  HA  GLU A  15       7.612   3.174  -1.973  1.00  0.00           H   new
ATOM      0  HB2 GLU A  15       5.422   4.597  -1.351  1.00  0.00           H   new
ATOM      0  HB3 GLU A  15       6.292   4.803   0.156  1.00  0.00           H   new
ATOM      0  HG2 GLU A  15       7.204   6.576  -1.025  1.00  0.00           H   new
ATOM      0  HG3 GLU A  15       8.348   5.331  -1.484  1.00  0.00           H   new
ATOM    217  N   GLY A  16       7.350   2.225   1.130  1.00  0.00           N
ATOM    218  CA  GLY A  16       8.103   1.847   2.313  1.00  0.00           C
ATOM    219  C   GLY A  16       9.009   0.647   2.028  1.00  0.00           C
ATOM    220  O   GLY A  16      10.201   0.678   2.329  1.00  0.00           O
ATOM      0  H   GLY A  16       6.361   1.979   1.157  1.00  0.00           H   new
ATOM      0  HA2 GLY A  16       8.706   2.690   2.649  1.00  0.00           H   new
ATOM      0  HA3 GLY A  16       7.416   1.604   3.123  1.00  0.00           H   new
ATOM    224  N   MET A  17       8.408  -0.383   1.447  1.00  0.00           N
ATOM    225  CA  MET A  17       9.146  -1.589   1.117  1.00  0.00           C
ATOM    226  C   MET A  17      10.183  -1.317   0.025  1.00  0.00           C
ATOM    227  O   MET A  17      11.013  -2.173  -0.276  1.00  0.00           O
ATOM    228  CB  MET A  17       8.172  -2.668   0.638  1.00  0.00           C
ATOM    229  CG  MET A  17       8.161  -3.861   1.596  1.00  0.00           C
ATOM    230  SD  MET A  17       9.295  -5.114   1.022  1.00  0.00           S
ATOM    231  CE  MET A  17       8.702  -6.518   1.952  1.00  0.00           C
ATOM      0  H   MET A  17       7.419  -0.406   1.197  1.00  0.00           H   new
ATOM      0  HA  MET A  17       9.669  -1.928   2.011  1.00  0.00           H   new
ATOM      0  HB2 MET A  17       7.169  -2.249   0.562  1.00  0.00           H   new
ATOM      0  HB3 MET A  17       8.455  -3.001  -0.360  1.00  0.00           H   new
ATOM      0  HG2 MET A  17       8.442  -3.536   2.598  1.00  0.00           H   new
ATOM      0  HG3 MET A  17       7.154  -4.274   1.665  1.00  0.00           H   new
ATOM      0  HE1 MET A  17       9.304  -7.394   1.712  1.00  0.00           H   new
ATOM      0  HE2 MET A  17       8.778  -6.307   3.019  1.00  0.00           H   new
ATOM      0  HE3 MET A  17       7.661  -6.712   1.694  1.00  0.00           H   new
ATOM    241  N   ILE A  18      10.101  -0.121  -0.539  1.00  0.00           N
ATOM    242  CA  ILE A  18      11.021   0.275  -1.592  1.00  0.00           C
ATOM    243  C   ILE A  18      12.166   1.086  -0.982  1.00  0.00           C
ATOM    244  O   ILE A  18      13.279   1.087  -1.506  1.00  0.00           O
ATOM    245  CB  ILE A  18      10.275   1.008  -2.709  1.00  0.00           C
ATOM    246  CG1 ILE A  18       9.173   0.128  -3.300  1.00  0.00           C
ATOM    247  CG2 ILE A  18      11.246   1.507  -3.780  1.00  0.00           C
ATOM    248  CD1 ILE A  18       8.276   0.932  -4.244  1.00  0.00           C
ATOM      0  H   ILE A  18       9.411   0.587  -0.287  1.00  0.00           H   new
ATOM      0  HA  ILE A  18      11.465  -0.603  -2.061  1.00  0.00           H   new
ATOM      0  HB  ILE A  18       9.791   1.885  -2.279  1.00  0.00           H   new
ATOM      0 HG12 ILE A  18       9.620  -0.707  -3.840  1.00  0.00           H   new
ATOM      0 HG13 ILE A  18       8.572  -0.297  -2.496  1.00  0.00           H   new
ATOM      0 HG21 ILE A  18      10.690   2.024  -4.562  1.00  0.00           H   new
ATOM      0 HG22 ILE A  18      11.963   2.193  -3.330  1.00  0.00           H   new
ATOM      0 HG23 ILE A  18      11.778   0.659  -4.213  1.00  0.00           H   new
ATOM      0 HD11 ILE A  18       7.501   0.282  -4.650  1.00  0.00           H   new
ATOM      0 HD12 ILE A  18       7.812   1.751  -3.695  1.00  0.00           H   new
ATOM      0 HD13 ILE A  18       8.876   1.336  -5.060  1.00  0.00           H   new
ATOM    260  N   ASP A  19      11.854   1.758   0.116  1.00  0.00           N
ATOM    261  CA  ASP A  19      12.844   2.572   0.803  1.00  0.00           C
ATOM    262  C   ASP A  19      13.613   3.405  -0.224  1.00  0.00           C
ATOM    263  O   ASP A  19      14.843   3.436  -0.207  1.00  0.00           O
ATOM    264  CB  ASP A  19      13.851   1.698   1.553  1.00  0.00           C
ATOM    265  CG  ASP A  19      14.358   2.283   2.872  1.00  0.00           C
ATOM    266  OD1 ASP A  19      15.374   3.009   2.817  1.00  0.00           O
ATOM    267  OD2 ASP A  19      13.719   1.992   3.905  1.00  0.00           O
ATOM      0  H   ASP A  19      10.930   1.756   0.548  1.00  0.00           H   new
ATOM      0  HA  ASP A  19      12.321   3.211   1.515  1.00  0.00           H   new
ATOM      0  HB2 ASP A  19      13.390   0.731   1.755  1.00  0.00           H   new
ATOM      0  HB3 ASP A  19      14.706   1.514   0.902  1.00  0.00           H   new
ATOM    272  N   GLY A  20      12.858   4.060  -1.093  1.00  0.00           N
ATOM    273  CA  GLY A  20      13.454   4.892  -2.125  1.00  0.00           C
ATOM    274  C   GLY A  20      13.964   6.210  -1.540  1.00  0.00           C
ATOM    275  O   GLY A  20      15.013   6.708  -1.944  1.00  0.00           O
ATOM      0  H   GLY A  20      11.838   4.032  -1.104  1.00  0.00           H   new
ATOM      0  HA2 GLY A  20      14.278   4.357  -2.598  1.00  0.00           H   new
ATOM      0  HA3 GLY A  20      12.718   5.096  -2.903  1.00  0.00           H   new
TER     279      GLY A  20