USER  MOD reduce.3.24.130724 H: found=0, std=0, add=233, rem=0, adj=6
USER  MOD reduce.3.24.130724 removed 233 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  11 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  12 GLN     :      amide:sc=       0  X(o=0,f=0)
USER  MOD Single : A  16 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  17 ASN     :      amide:sc=  -0.597  K(o=-0.6,f=-3.9!)
USER  MOD Single : A  20 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  22 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  23 ASN     :      amide:sc=  -0.165  K(o=-0.16,f=-2.3!)
USER  MOD Single : A  24 THR OG1 :   rot  180:sc=   0.263
USER  MOD Single : A  29 HIS     :     no HD1:sc=   -1.37! C(o=-1.4!,f=-12!)
USER  MOD Single : A  33 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  35 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  37 LYS NZ  :NH3+    153:sc=   0.344   (180deg=0.097)
USER  MOD Single : A  39 THR OG1 :   rot  -70:sc=   -2.57!
USER  MOD -----------------------------------------------------------------
ATOM    104  N   TYR A  11      -7.442  -2.845  -3.634  1.00  0.00           N
ATOM    105  CA  TYR A  11      -6.140  -3.396  -3.968  1.00  0.00           C
ATOM    106  C   TYR A  11      -5.508  -4.084  -2.756  1.00  0.00           C
ATOM    107  O   TYR A  11      -5.853  -3.780  -1.616  1.00  0.00           O
ATOM    108  CB  TYR A  11      -5.269  -2.205  -4.374  1.00  0.00           C
ATOM    109  CG  TYR A  11      -5.836  -1.388  -5.537  1.00  0.00           C
ATOM    110  CD1 TYR A  11      -6.715  -0.353  -5.289  1.00  0.00           C
ATOM    111  CD2 TYR A  11      -5.468  -1.685  -6.833  1.00  0.00           C
ATOM    112  CE1 TYR A  11      -7.249   0.416  -6.383  1.00  0.00           C
ATOM    113  CE2 TYR A  11      -6.001  -0.916  -7.927  1.00  0.00           C
ATOM    114  CZ  TYR A  11      -6.865   0.097  -7.649  1.00  0.00           C
ATOM    115  OH  TYR A  11      -7.369   0.823  -8.682  1.00  0.00           O
ATOM      0  HA  TYR A  11      -6.230  -4.138  -4.761  1.00  0.00           H   new
ATOM      0  HB2 TYR A  11      -5.141  -1.551  -3.512  1.00  0.00           H   new
ATOM      0  HB3 TYR A  11      -4.279  -2.569  -4.648  1.00  0.00           H   new
ATOM      0  HD1 TYR A  11      -7.002  -0.120  -4.274  1.00  0.00           H   new
ATOM      0  HD2 TYR A  11      -4.780  -2.495  -7.027  1.00  0.00           H   new
ATOM      0  HE1 TYR A  11      -7.939   1.227  -6.203  1.00  0.00           H   new
ATOM      0  HE2 TYR A  11      -5.721  -1.139  -8.946  1.00  0.00           H   new
ATOM      0  HH  TYR A  11      -7.007   0.484  -9.527  1.00  0.00           H   new
ATOM    125  N   GLN A  12      -4.595  -4.999  -3.045  1.00  0.00           N
ATOM    126  CA  GLN A  12      -3.912  -5.733  -1.993  1.00  0.00           C
ATOM    127  C   GLN A  12      -2.399  -5.534  -2.103  1.00  0.00           C
ATOM    128  O   GLN A  12      -1.842  -5.571  -3.200  1.00  0.00           O
ATOM    129  CB  GLN A  12      -4.274  -7.219  -2.037  1.00  0.00           C
ATOM    130  CG  GLN A  12      -4.347  -7.808  -0.627  1.00  0.00           C
ATOM    131  CD  GLN A  12      -5.586  -8.691  -0.464  1.00  0.00           C
ATOM    132  OE1 GLN A  12      -5.825  -9.615  -1.223  1.00  0.00           O
ATOM    133  NE2 GLN A  12      -6.358  -8.355   0.565  1.00  0.00           N
ATOM      0  H   GLN A  12      -4.312  -5.249  -3.993  1.00  0.00           H   new
ATOM      0  HA  GLN A  12      -4.241  -5.341  -1.031  1.00  0.00           H   new
ATOM      0  HB2 GLN A  12      -5.233  -7.349  -2.539  1.00  0.00           H   new
ATOM      0  HB3 GLN A  12      -3.532  -7.761  -2.623  1.00  0.00           H   new
ATOM      0  HG2 GLN A  12      -3.450  -8.394  -0.427  1.00  0.00           H   new
ATOM      0  HG3 GLN A  12      -4.371  -7.002   0.107  1.00  0.00           H   new
ATOM      0 HE21 GLN A  12      -6.099  -7.569   1.162  1.00  0.00           H   new
ATOM      0 HE22 GLN A  12      -7.209  -8.883   0.758  1.00  0.00           H   new
ATOM    142  N   ASP A  13      -1.776  -5.329  -0.952  1.00  0.00           N
ATOM    143  CA  ASP A  13      -0.338  -5.124  -0.905  1.00  0.00           C
ATOM    144  C   ASP A  13       0.344  -6.426  -0.480  1.00  0.00           C
ATOM    145  O   ASP A  13      -0.164  -7.145   0.379  1.00  0.00           O
ATOM    146  CB  ASP A  13       0.031  -4.042   0.112  1.00  0.00           C
ATOM    147  CG  ASP A  13      -0.955  -2.876   0.202  1.00  0.00           C
ATOM    148  OD1 ASP A  13      -1.025  -2.114  -0.786  1.00  0.00           O
ATOM    149  OD2 ASP A  13      -1.616  -2.772   1.258  1.00  0.00           O
ATOM      0  H   ASP A  13      -2.241  -5.300  -0.044  1.00  0.00           H   new
ATOM      0  HA  ASP A  13      -0.008  -4.814  -1.897  1.00  0.00           H   new
ATOM      0  HB2 ASP A  13       0.116  -4.503   1.096  1.00  0.00           H   new
ATOM      0  HB3 ASP A  13       1.015  -3.647  -0.141  1.00  0.00           H   new
ATOM    154  N   LEU A  14       1.485  -6.688  -1.100  1.00  0.00           N
ATOM    155  CA  LEU A  14       2.242  -7.891  -0.797  1.00  0.00           C
ATOM    156  C   LEU A  14       3.006  -7.690   0.514  1.00  0.00           C
ATOM    157  O   LEU A  14       3.219  -8.641   1.264  1.00  0.00           O
ATOM    158  CB  LEU A  14       3.137  -8.273  -1.978  1.00  0.00           C
ATOM    159  CG  LEU A  14       2.414  -8.691  -3.260  1.00  0.00           C
ATOM    160  CD1 LEU A  14       3.231  -8.315  -4.497  1.00  0.00           C
ATOM    161  CD2 LEU A  14       2.066 -10.180  -3.232  1.00  0.00           C
ATOM      0  H   LEU A  14       1.904  -6.088  -1.811  1.00  0.00           H   new
ATOM      0  HA  LEU A  14       1.571  -8.737  -0.649  1.00  0.00           H   new
ATOM      0  HB2 LEU A  14       3.782  -7.425  -2.208  1.00  0.00           H   new
ATOM      0  HB3 LEU A  14       3.786  -9.092  -1.667  1.00  0.00           H   new
ATOM      0  HG  LEU A  14       1.474  -8.143  -3.317  1.00  0.00           H   new
ATOM      0 HD11 LEU A  14       2.695  -8.623  -5.395  1.00  0.00           H   new
ATOM      0 HD12 LEU A  14       3.384  -7.236  -4.518  1.00  0.00           H   new
ATOM      0 HD13 LEU A  14       4.198  -8.818  -4.461  1.00  0.00           H   new
ATOM      0 HD21 LEU A  14       1.553 -10.451  -4.155  1.00  0.00           H   new
ATOM      0 HD22 LEU A  14       2.981 -10.766  -3.140  1.00  0.00           H   new
ATOM      0 HD23 LEU A  14       1.416 -10.386  -2.381  1.00  0.00           H   new
ATOM    173  N   LEU A  15       3.397  -6.446   0.749  1.00  0.00           N
ATOM    174  CA  LEU A  15       4.132  -6.109   1.956  1.00  0.00           C
ATOM    175  C   LEU A  15       3.177  -6.121   3.151  1.00  0.00           C
ATOM    176  O   LEU A  15       2.028  -6.542   3.027  1.00  0.00           O
ATOM    177  CB  LEU A  15       4.876  -4.784   1.777  1.00  0.00           C
ATOM    178  CG  LEU A  15       5.999  -4.780   0.738  1.00  0.00           C
ATOM    179  CD1 LEU A  15       6.494  -3.357   0.472  1.00  0.00           C
ATOM    180  CD2 LEU A  15       7.137  -5.713   1.157  1.00  0.00           C
ATOM      0  H   LEU A  15       3.219  -5.660   0.124  1.00  0.00           H   new
ATOM      0  HA  LEU A  15       4.900  -6.856   2.155  1.00  0.00           H   new
ATOM      0  HB2 LEU A  15       4.151  -4.018   1.502  1.00  0.00           H   new
ATOM      0  HB3 LEU A  15       5.297  -4.494   2.739  1.00  0.00           H   new
ATOM      0  HG  LEU A  15       5.598  -5.163  -0.200  1.00  0.00           H   new
ATOM      0 HD11 LEU A  15       7.292  -3.382  -0.270  1.00  0.00           H   new
ATOM      0 HD12 LEU A  15       5.670  -2.749   0.098  1.00  0.00           H   new
ATOM      0 HD13 LEU A  15       6.873  -2.925   1.398  1.00  0.00           H   new
ATOM      0 HD21 LEU A  15       7.922  -5.692   0.401  1.00  0.00           H   new
ATOM      0 HD22 LEU A  15       7.544  -5.384   2.113  1.00  0.00           H   new
ATOM      0 HD23 LEU A  15       6.756  -6.730   1.256  1.00  0.00           H   new
ATOM    192  N   SER A  16       3.687  -5.654   4.281  1.00  0.00           N
ATOM    193  CA  SER A  16       2.893  -5.606   5.497  1.00  0.00           C
ATOM    194  C   SER A  16       2.925  -4.195   6.088  1.00  0.00           C
ATOM    195  O   SER A  16       1.896  -3.671   6.510  1.00  0.00           O
ATOM    196  CB  SER A  16       3.396  -6.623   6.523  1.00  0.00           C
ATOM    197  OG  SER A  16       2.323  -7.282   7.191  1.00  0.00           O
ATOM      0  H   SER A  16       4.640  -5.305   4.380  1.00  0.00           H   new
ATOM      0  HA  SER A  16       1.864  -5.863   5.244  1.00  0.00           H   new
ATOM      0  HB2 SER A  16       4.021  -7.363   6.024  1.00  0.00           H   new
ATOM      0  HB3 SER A  16       4.024  -6.118   7.257  1.00  0.00           H   new
ATOM      0  HG  SER A  16       2.685  -7.924   7.837  1.00  0.00           H   new
ATOM    203  N   ASN A  17       4.119  -3.620   6.099  1.00  0.00           N
ATOM    204  CA  ASN A  17       4.299  -2.280   6.631  1.00  0.00           C
ATOM    205  C   ASN A  17       4.484  -1.297   5.474  1.00  0.00           C
ATOM    206  O   ASN A  17       5.529  -0.657   5.359  1.00  0.00           O
ATOM    207  CB  ASN A  17       5.541  -2.203   7.521  1.00  0.00           C
ATOM    208  CG  ASN A  17       6.768  -2.764   6.799  1.00  0.00           C
ATOM    209  OD1 ASN A  17       6.803  -3.908   6.376  1.00  0.00           O
ATOM    210  ND2 ASN A  17       7.770  -1.898   6.682  1.00  0.00           N
ATOM      0  H   ASN A  17       4.971  -4.058   5.748  1.00  0.00           H   new
ATOM      0  HA  ASN A  17       3.417  -2.030   7.221  1.00  0.00           H   new
ATOM      0  HB2 ASN A  17       5.725  -1.167   7.807  1.00  0.00           H   new
ATOM      0  HB3 ASN A  17       5.369  -2.762   8.441  1.00  0.00           H   new
ATOM      0 HD21 ASN A  17       8.633  -2.177   6.216  1.00  0.00           H   new
ATOM      0 HD22 ASN A  17       7.675  -0.955   7.059  1.00  0.00           H   new
ATOM    217  N   CYS A  18       3.455  -1.207   4.645  1.00  0.00           N
ATOM    218  CA  CYS A  18       3.491  -0.313   3.500  1.00  0.00           C
ATOM    219  C   CYS A  18       3.510   1.127   4.016  1.00  0.00           C
ATOM    220  O   CYS A  18       4.448   1.875   3.745  1.00  0.00           O
ATOM    221  CB  CYS A  18       2.318  -0.563   2.550  1.00  0.00           C
ATOM    222  SG  CYS A  18       2.535  -1.988   1.422  1.00  0.00           S
ATOM      0  H   CYS A  18       2.590  -1.739   4.743  1.00  0.00           H   new
ATOM      0  HA  CYS A  18       4.392  -0.501   2.917  1.00  0.00           H   new
ATOM      0  HB2 CYS A  18       1.416  -0.720   3.142  1.00  0.00           H   new
ATOM      0  HB3 CYS A  18       2.155   0.334   1.953  1.00  0.00           H   new
ATOM    227  N   ASP A  19       2.463   1.472   4.752  1.00  0.00           N
ATOM    228  CA  ASP A  19       2.348   2.809   5.309  1.00  0.00           C
ATOM    229  C   ASP A  19       3.689   3.219   5.922  1.00  0.00           C
ATOM    230  O   ASP A  19       4.340   4.143   5.438  1.00  0.00           O
ATOM    231  CB  ASP A  19       1.289   2.858   6.412  1.00  0.00           C
ATOM    232  CG  ASP A  19      -0.154   2.977   5.918  1.00  0.00           C
ATOM    233  OD1 ASP A  19      -0.630   1.991   5.314  1.00  0.00           O
ATOM    234  OD2 ASP A  19      -0.748   4.050   6.156  1.00  0.00           O
ATOM      0  H   ASP A  19       1.687   0.849   4.975  1.00  0.00           H   new
ATOM      0  HA  ASP A  19       2.061   3.485   4.504  1.00  0.00           H   new
ATOM      0  HB2 ASP A  19       1.376   1.957   7.019  1.00  0.00           H   new
ATOM      0  HB3 ASP A  19       1.505   3.704   7.065  1.00  0.00           H   new
ATOM    239  N   SER A  20       4.061   2.511   6.978  1.00  0.00           N
ATOM    240  CA  SER A  20       5.312   2.790   7.663  1.00  0.00           C
ATOM    241  C   SER A  20       6.405   3.118   6.643  1.00  0.00           C
ATOM    242  O   SER A  20       7.233   3.997   6.877  1.00  0.00           O
ATOM    243  CB  SER A  20       5.738   1.607   8.534  1.00  0.00           C
ATOM    244  OG  SER A  20       5.700   1.926   9.923  1.00  0.00           O
ATOM      0  H   SER A  20       3.518   1.745   7.376  1.00  0.00           H   new
ATOM      0  HA  SER A  20       5.161   3.651   8.314  1.00  0.00           H   new
ATOM      0  HB2 SER A  20       5.082   0.758   8.339  1.00  0.00           H   new
ATOM      0  HB3 SER A  20       6.747   1.300   8.260  1.00  0.00           H   new
ATOM      0  HG  SER A  20       5.977   1.145  10.446  1.00  0.00           H   new
ATOM    250  N   LEU A  21       6.371   2.394   5.534  1.00  0.00           N
ATOM    251  CA  LEU A  21       7.348   2.598   4.478  1.00  0.00           C
ATOM    252  C   LEU A  21       7.003   3.875   3.709  1.00  0.00           C
ATOM    253  O   LEU A  21       7.798   4.812   3.666  1.00  0.00           O
ATOM    254  CB  LEU A  21       7.447   1.354   3.592  1.00  0.00           C
ATOM    255  CG  LEU A  21       8.221   0.172   4.179  1.00  0.00           C
ATOM    256  CD1 LEU A  21       7.906  -1.120   3.422  1.00  0.00           C
ATOM    257  CD2 LEU A  21       9.722   0.464   4.216  1.00  0.00           C
ATOM      0  H   LEU A  21       5.683   1.666   5.344  1.00  0.00           H   new
ATOM      0  HA  LEU A  21       8.342   2.740   4.901  1.00  0.00           H   new
ATOM      0  HB2 LEU A  21       6.437   1.020   3.355  1.00  0.00           H   new
ATOM      0  HB3 LEU A  21       7.917   1.639   2.651  1.00  0.00           H   new
ATOM      0  HG  LEU A  21       7.896   0.028   5.209  1.00  0.00           H   new
ATOM      0 HD11 LEU A  21       8.469  -1.944   3.859  1.00  0.00           H   new
ATOM      0 HD12 LEU A  21       6.839  -1.332   3.492  1.00  0.00           H   new
ATOM      0 HD13 LEU A  21       8.185  -1.005   2.375  1.00  0.00           H   new
ATOM      0 HD21 LEU A  21      10.249  -0.392   4.638  1.00  0.00           H   new
ATOM      0 HD22 LEU A  21      10.082   0.649   3.204  1.00  0.00           H   new
ATOM      0 HD23 LEU A  21       9.906   1.343   4.833  1.00  0.00           H   new
ATOM    269  N   LYS A  22       5.816   3.870   3.120  1.00  0.00           N
ATOM    270  CA  LYS A  22       5.356   5.016   2.355  1.00  0.00           C
ATOM    271  C   LYS A  22       5.564   6.290   3.177  1.00  0.00           C
ATOM    272  O   LYS A  22       5.719   7.375   2.619  1.00  0.00           O
ATOM    273  CB  LYS A  22       3.911   4.809   1.896  1.00  0.00           C
ATOM    274  CG  LYS A  22       3.376   6.057   1.189  1.00  0.00           C
ATOM    275  CD  LYS A  22       2.114   6.578   1.879  1.00  0.00           C
ATOM    276  CE  LYS A  22       0.856   6.128   1.134  1.00  0.00           C
ATOM    277  NZ  LYS A  22       0.311   7.237   0.320  1.00  0.00           N
ATOM      0  H   LYS A  22       5.159   3.090   3.157  1.00  0.00           H   new
ATOM      0  HA  LYS A  22       5.943   5.125   1.443  1.00  0.00           H   new
ATOM      0  HB2 LYS A  22       3.859   3.954   1.222  1.00  0.00           H   new
ATOM      0  HB3 LYS A  22       3.282   4.576   2.755  1.00  0.00           H   new
ATOM      0  HG2 LYS A  22       4.141   6.834   1.186  1.00  0.00           H   new
ATOM      0  HG3 LYS A  22       3.155   5.823   0.147  1.00  0.00           H   new
ATOM      0  HD2 LYS A  22       2.081   6.216   2.907  1.00  0.00           H   new
ATOM      0  HD3 LYS A  22       2.144   7.667   1.925  1.00  0.00           H   new
ATOM      0  HE2 LYS A  22       1.091   5.279   0.492  1.00  0.00           H   new
ATOM      0  HE3 LYS A  22       0.105   5.790   1.848  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  22      -0.543   6.914  -0.179  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  22       0.069   8.036   0.940  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  22       1.024   7.541  -0.374  1.00  0.00           H   new
ATOM    291  N   ASN A  23       5.559   6.115   4.491  1.00  0.00           N
ATOM    292  CA  ASN A  23       5.745   7.236   5.395  1.00  0.00           C
ATOM    293  C   ASN A  23       6.925   8.084   4.915  1.00  0.00           C
ATOM    294  O   ASN A  23       6.748   9.236   4.524  1.00  0.00           O
ATOM    295  CB  ASN A  23       6.056   6.754   6.814  1.00  0.00           C
ATOM    296  CG  ASN A  23       5.304   7.588   7.853  1.00  0.00           C
ATOM    297  OD1 ASN A  23       4.665   8.581   7.546  1.00  0.00           O
ATOM    298  ND2 ASN A  23       5.417   7.132   9.097  1.00  0.00           N
ATOM      0  H   ASN A  23       5.429   5.214   4.950  1.00  0.00           H   new
ATOM      0  HA  ASN A  23       4.823   7.817   5.405  1.00  0.00           H   new
ATOM      0  HB2 ASN A  23       5.778   5.705   6.915  1.00  0.00           H   new
ATOM      0  HB3 ASN A  23       7.129   6.819   6.997  1.00  0.00           H   new
ATOM      0 HD21 ASN A  23       4.953   7.620   9.863  1.00  0.00           H   new
ATOM      0 HD22 ASN A  23       5.968   6.294   9.285  1.00  0.00           H   new
ATOM    305  N   THR A  24       8.103   7.479   4.960  1.00  0.00           N
ATOM    306  CA  THR A  24       9.312   8.164   4.534  1.00  0.00           C
ATOM    307  C   THR A  24       9.621   7.840   3.071  1.00  0.00           C
ATOM    308  O   THR A  24       9.470   8.693   2.198  1.00  0.00           O
ATOM    309  CB  THR A  24      10.439   7.775   5.494  1.00  0.00           C
ATOM    310  OG1 THR A  24      10.364   6.353   5.558  1.00  0.00           O
ATOM    311  CG2 THR A  24      10.167   8.228   6.930  1.00  0.00           C
ATOM      0  H   THR A  24       8.246   6.523   5.285  1.00  0.00           H   new
ATOM      0  HA  THR A  24       9.189   9.246   4.576  1.00  0.00           H   new
ATOM      0  HB  THR A  24      11.377   8.209   5.148  1.00  0.00           H   new
ATOM      0  HG1 THR A  24      11.061   6.015   6.158  1.00  0.00           H   new
ATOM      0 HG21 THR A  24      10.997   7.927   7.570  1.00  0.00           H   new
ATOM      0 HG22 THR A  24      10.064   9.313   6.956  1.00  0.00           H   new
ATOM      0 HG23 THR A  24       9.247   7.767   7.289  1.00  0.00           H   new
ATOM    319  N   ALA A  25      10.048   6.605   2.849  1.00  0.00           N
ATOM    320  CA  ALA A  25      10.380   6.158   1.507  1.00  0.00           C
ATOM    321  C   ALA A  25       9.341   6.699   0.523  1.00  0.00           C
ATOM    322  O   ALA A  25       9.686   7.407  -0.423  1.00  0.00           O
ATOM    323  CB  ALA A  25      10.465   4.631   1.484  1.00  0.00           C
ATOM      0  H   ALA A  25      10.172   5.900   3.576  1.00  0.00           H   new
ATOM      0  HA  ALA A  25      11.354   6.543   1.204  1.00  0.00           H   new
ATOM      0  HB1 ALA A  25      10.714   4.296   0.477  1.00  0.00           H   new
ATOM      0  HB2 ALA A  25      11.237   4.299   2.178  1.00  0.00           H   new
ATOM      0  HB3 ALA A  25       9.505   4.209   1.780  1.00  0.00           H   new
ATOM    329  N   GLY A  26       8.090   6.346   0.779  1.00  0.00           N
ATOM    330  CA  GLY A  26       6.999   6.787  -0.073  1.00  0.00           C
ATOM    331  C   GLY A  26       6.788   5.820  -1.240  1.00  0.00           C
ATOM    332  O   GLY A  26       7.747   5.258  -1.766  1.00  0.00           O
ATOM      0  H   GLY A  26       7.808   5.760   1.564  1.00  0.00           H   new
ATOM      0  HA2 GLY A  26       6.083   6.861   0.513  1.00  0.00           H   new
ATOM      0  HA3 GLY A  26       7.213   7.784  -0.457  1.00  0.00           H   new
ATOM    336  N   CYS A  27       5.526   5.655  -1.609  1.00  0.00           N
ATOM    337  CA  CYS A  27       5.178   4.765  -2.704  1.00  0.00           C
ATOM    338  C   CYS A  27       6.202   4.957  -3.824  1.00  0.00           C
ATOM    339  O   CYS A  27       6.493   4.023  -4.570  1.00  0.00           O
ATOM    340  CB  CYS A  27       3.747   5.002  -3.192  1.00  0.00           C
ATOM    341  SG  CYS A  27       2.447   4.223  -2.167  1.00  0.00           S
ATOM      0  H   CYS A  27       4.733   6.122  -1.170  1.00  0.00           H   new
ATOM      0  HA  CYS A  27       5.208   3.731  -2.359  1.00  0.00           H   new
ATOM      0  HB2 CYS A  27       3.565   6.076  -3.230  1.00  0.00           H   new
ATOM      0  HB3 CYS A  27       3.659   4.627  -4.212  1.00  0.00           H   new
ATOM    346  N   GLU A  28       6.721   6.173  -3.906  1.00  0.00           N
ATOM    347  CA  GLU A  28       7.707   6.499  -4.922  1.00  0.00           C
ATOM    348  C   GLU A  28       8.731   5.369  -5.050  1.00  0.00           C
ATOM    349  O   GLU A  28       9.258   5.124  -6.134  1.00  0.00           O
ATOM    350  CB  GLU A  28       8.394   7.830  -4.612  1.00  0.00           C
ATOM    351  CG  GLU A  28       7.707   8.985  -5.343  1.00  0.00           C
ATOM    352  CD  GLU A  28       8.327  10.328  -4.951  1.00  0.00           C
ATOM    353  OE1 GLU A  28       9.512  10.528  -5.294  1.00  0.00           O
ATOM    354  OE2 GLU A  28       7.601  11.124  -4.316  1.00  0.00           O
ATOM      0  H   GLU A  28       6.477   6.945  -3.285  1.00  0.00           H   new
ATOM      0  HA  GLU A  28       7.194   6.607  -5.877  1.00  0.00           H   new
ATOM      0  HB2 GLU A  28       8.374   8.012  -3.537  1.00  0.00           H   new
ATOM      0  HB3 GLU A  28       9.442   7.780  -4.908  1.00  0.00           H   new
ATOM      0  HG2 GLU A  28       7.793   8.841  -6.420  1.00  0.00           H   new
ATOM      0  HG3 GLU A  28       6.643   8.989  -5.106  1.00  0.00           H   new
ATOM    361  N   HIS A  29       8.982   4.712  -3.928  1.00  0.00           N
ATOM    362  CA  HIS A  29       9.934   3.614  -3.901  1.00  0.00           C
ATOM    363  C   HIS A  29       9.607   2.624  -5.020  1.00  0.00           C
ATOM    364  O   HIS A  29       8.662   2.829  -5.779  1.00  0.00           O
ATOM    365  CB  HIS A  29       9.966   2.957  -2.519  1.00  0.00           C
ATOM    366  CG  HIS A  29      11.219   2.159  -2.248  1.00  0.00           C
ATOM    367  ND1 HIS A  29      11.275   0.783  -2.382  1.00  0.00           N
ATOM    368  CD2 HIS A  29      12.462   2.558  -1.850  1.00  0.00           C
ATOM    369  CE1 HIS A  29      12.500   0.382  -2.076  1.00  0.00           C
ATOM    370  NE2 HIS A  29      13.234   1.483  -1.746  1.00  0.00           N
ATOM      0  H   HIS A  29       8.543   4.918  -3.031  1.00  0.00           H   new
ATOM      0  HA  HIS A  29      10.939   3.995  -4.082  1.00  0.00           H   new
ATOM      0  HB2 HIS A  29       9.868   3.731  -1.758  1.00  0.00           H   new
ATOM      0  HB3 HIS A  29       9.101   2.301  -2.420  1.00  0.00           H   new
ATOM      0  HD2 HIS A  29      12.766   3.575  -1.653  1.00  0.00           H   new
ATOM      0  HE1 HIS A  29      12.855  -0.638  -2.086  1.00  0.00           H   new
ATOM      0  HE2 HIS A  29      14.215   1.481  -1.465  1.00  0.00           H   new
ATOM    378  N   GLU A  30      10.408   1.570  -5.087  1.00  0.00           N
ATOM    379  CA  GLU A  30      10.216   0.547  -6.101  1.00  0.00           C
ATOM    380  C   GLU A  30       9.651  -0.726  -5.470  1.00  0.00           C
ATOM    381  O   GLU A  30       9.149  -1.602  -6.173  1.00  0.00           O
ATOM    382  CB  GLU A  30      11.523   0.258  -6.843  1.00  0.00           C
ATOM    383  CG  GLU A  30      11.259  -0.506  -8.141  1.00  0.00           C
ATOM    384  CD  GLU A  30      12.449  -1.396  -8.505  1.00  0.00           C
ATOM    385  OE1 GLU A  30      12.945  -2.083  -7.587  1.00  0.00           O
ATOM    386  OE2 GLU A  30      12.835  -1.370  -9.694  1.00  0.00           O
ATOM      0  H   GLU A  30      11.191   1.403  -4.455  1.00  0.00           H   new
ATOM      0  HA  GLU A  30       9.496   0.917  -6.831  1.00  0.00           H   new
ATOM      0  HB2 GLU A  30      12.034   1.195  -7.066  1.00  0.00           H   new
ATOM      0  HB3 GLU A  30      12.188  -0.323  -6.204  1.00  0.00           H   new
ATOM      0  HG2 GLU A  30      10.363  -1.117  -8.032  1.00  0.00           H   new
ATOM      0  HG3 GLU A  30      11.067   0.199  -8.950  1.00  0.00           H   new
ATOM    393  N   LEU A  31       9.751  -0.789  -4.150  1.00  0.00           N
ATOM    394  CA  LEU A  31       9.256  -1.942  -3.416  1.00  0.00           C
ATOM    395  C   LEU A  31       7.783  -1.723  -3.065  1.00  0.00           C
ATOM    396  O   LEU A  31       6.979  -2.651  -3.139  1.00  0.00           O
ATOM    397  CB  LEU A  31      10.142  -2.224  -2.201  1.00  0.00           C
ATOM    398  CG  LEU A  31       9.518  -3.087  -1.102  1.00  0.00           C
ATOM    399  CD1 LEU A  31       9.766  -4.574  -1.367  1.00  0.00           C
ATOM    400  CD2 LEU A  31      10.016  -2.660   0.280  1.00  0.00           C
ATOM      0  H   LEU A  31      10.167  -0.061  -3.570  1.00  0.00           H   new
ATOM      0  HA  LEU A  31       9.307  -2.838  -4.034  1.00  0.00           H   new
ATOM      0  HB2 LEU A  31      11.053  -2.713  -2.546  1.00  0.00           H   new
ATOM      0  HB3 LEU A  31      10.438  -1.271  -1.763  1.00  0.00           H   new
ATOM      0  HG  LEU A  31       8.439  -2.932  -1.117  1.00  0.00           H   new
ATOM      0 HD11 LEU A  31       9.313  -5.166  -0.572  1.00  0.00           H   new
ATOM      0 HD12 LEU A  31       9.323  -4.852  -2.324  1.00  0.00           H   new
ATOM      0 HD13 LEU A  31      10.839  -4.765  -1.395  1.00  0.00           H   new
ATOM      0 HD21 LEU A  31       9.557  -3.289   1.043  1.00  0.00           H   new
ATOM      0 HD22 LEU A  31      11.100  -2.767   0.325  1.00  0.00           H   new
ATOM      0 HD23 LEU A  31       9.746  -1.619   0.458  1.00  0.00           H   new
ATOM    412  N   LEU A  32       7.473  -0.490  -2.692  1.00  0.00           N
ATOM    413  CA  LEU A  32       6.111  -0.138  -2.329  1.00  0.00           C
ATOM    414  C   LEU A  32       5.485   0.686  -3.457  1.00  0.00           C
ATOM    415  O   LEU A  32       4.722   1.617  -3.200  1.00  0.00           O
ATOM    416  CB  LEU A  32       6.082   0.561  -0.968  1.00  0.00           C
ATOM    417  CG  LEU A  32       7.006   1.771  -0.816  1.00  0.00           C
ATOM    418  CD1 LEU A  32       6.331   2.876  -0.001  1.00  0.00           C
ATOM    419  CD2 LEU A  32       8.353   1.360  -0.218  1.00  0.00           C
ATOM      0  H   LEU A  32       8.142   0.278  -2.633  1.00  0.00           H   new
ATOM      0  HA  LEU A  32       5.503  -1.036  -2.213  1.00  0.00           H   new
ATOM      0  HB2 LEU A  32       5.060   0.882  -0.768  1.00  0.00           H   new
ATOM      0  HB3 LEU A  32       6.342  -0.169  -0.201  1.00  0.00           H   new
ATOM      0  HG  LEU A  32       7.204   2.177  -1.808  1.00  0.00           H   new
ATOM      0 HD11 LEU A  32       7.009   3.725   0.093  1.00  0.00           H   new
ATOM      0 HD12 LEU A  32       5.418   3.194  -0.505  1.00  0.00           H   new
ATOM      0 HD13 LEU A  32       6.084   2.498   0.991  1.00  0.00           H   new
ATOM      0 HD21 LEU A  32       8.991   2.238  -0.120  1.00  0.00           H   new
ATOM      0 HD22 LEU A  32       8.194   0.916   0.765  1.00  0.00           H   new
ATOM      0 HD23 LEU A  32       8.834   0.633  -0.872  1.00  0.00           H   new
ATOM    431  N   LYS A  33       5.830   0.314  -4.680  1.00  0.00           N
ATOM    432  CA  LYS A  33       5.312   1.006  -5.848  1.00  0.00           C
ATOM    433  C   LYS A  33       4.055   0.289  -6.345  1.00  0.00           C
ATOM    434  O   LYS A  33       3.021   0.918  -6.561  1.00  0.00           O
ATOM    435  CB  LYS A  33       6.400   1.150  -6.913  1.00  0.00           C
ATOM    436  CG  LYS A  33       6.343  -0.005  -7.915  1.00  0.00           C
ATOM    437  CD  LYS A  33       7.354   0.199  -9.045  1.00  0.00           C
ATOM    438  CE  LYS A  33       6.812  -0.343 -10.369  1.00  0.00           C
ATOM    439  NZ  LYS A  33       7.816  -0.183 -11.445  1.00  0.00           N
ATOM      0  H   LYS A  33       6.463  -0.459  -4.888  1.00  0.00           H   new
ATOM      0  HA  LYS A  33       5.017   2.023  -5.588  1.00  0.00           H   new
ATOM      0  HB2 LYS A  33       6.277   2.098  -7.438  1.00  0.00           H   new
ATOM      0  HB3 LYS A  33       7.380   1.174  -6.436  1.00  0.00           H   new
ATOM      0  HG2 LYS A  33       6.549  -0.945  -7.404  1.00  0.00           H   new
ATOM      0  HG3 LYS A  33       5.338  -0.081  -8.331  1.00  0.00           H   new
ATOM      0  HD2 LYS A  33       7.581   1.260  -9.148  1.00  0.00           H   new
ATOM      0  HD3 LYS A  33       8.289  -0.304  -8.797  1.00  0.00           H   new
ATOM      0  HE2 LYS A  33       6.553  -1.396 -10.259  1.00  0.00           H   new
ATOM      0  HE3 LYS A  33       5.896   0.184 -10.637  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  33       7.432  -0.556 -12.337  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  33       8.043   0.825 -11.561  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  33       8.679  -0.706 -11.195  1.00  0.00           H   new
ATOM    453  N   GLU A  34       4.187  -1.019  -6.512  1.00  0.00           N
ATOM    454  CA  GLU A  34       3.075  -1.829  -6.980  1.00  0.00           C
ATOM    455  C   GLU A  34       2.645  -2.818  -5.894  1.00  0.00           C
ATOM    456  O   GLU A  34       1.468  -3.162  -5.794  1.00  0.00           O
ATOM    457  CB  GLU A  34       3.436  -2.560  -8.275  1.00  0.00           C
ATOM    458  CG  GLU A  34       2.980  -1.763  -9.499  1.00  0.00           C
ATOM    459  CD  GLU A  34       2.967  -2.642 -10.751  1.00  0.00           C
ATOM    460  OE1 GLU A  34       4.040  -3.203 -11.062  1.00  0.00           O
ATOM    461  OE2 GLU A  34       1.885  -2.733 -11.370  1.00  0.00           O
ATOM      0  H   GLU A  34       5.047  -1.538  -6.332  1.00  0.00           H   new
ATOM      0  HA  GLU A  34       2.235  -1.168  -7.196  1.00  0.00           H   new
ATOM      0  HB2 GLU A  34       4.514  -2.717  -8.320  1.00  0.00           H   new
ATOM      0  HB3 GLU A  34       2.969  -3.545  -8.283  1.00  0.00           H   new
ATOM      0  HG2 GLU A  34       1.983  -1.359  -9.324  1.00  0.00           H   new
ATOM      0  HG3 GLU A  34       3.646  -0.914  -9.653  1.00  0.00           H   new
ATOM    468  N   LYS A  35       3.621  -3.246  -5.108  1.00  0.00           N
ATOM    469  CA  LYS A  35       3.358  -4.188  -4.033  1.00  0.00           C
ATOM    470  C   LYS A  35       2.615  -3.472  -2.904  1.00  0.00           C
ATOM    471  O   LYS A  35       2.019  -4.116  -2.041  1.00  0.00           O
ATOM    472  CB  LYS A  35       4.655  -4.864  -3.584  1.00  0.00           C
ATOM    473  CG  LYS A  35       5.404  -5.461  -4.778  1.00  0.00           C
ATOM    474  CD  LYS A  35       6.736  -6.073  -4.339  1.00  0.00           C
ATOM    475  CE  LYS A  35       7.910  -5.404  -5.057  1.00  0.00           C
ATOM    476  NZ  LYS A  35       9.053  -6.338  -5.162  1.00  0.00           N
ATOM      0  H   LYS A  35       4.596  -2.958  -5.194  1.00  0.00           H   new
ATOM      0  HA  LYS A  35       2.710  -4.993  -4.381  1.00  0.00           H   new
ATOM      0  HB2 LYS A  35       5.291  -4.138  -3.077  1.00  0.00           H   new
ATOM      0  HB3 LYS A  35       4.429  -5.649  -2.862  1.00  0.00           H   new
ATOM      0  HG2 LYS A  35       4.788  -6.224  -5.254  1.00  0.00           H   new
ATOM      0  HG3 LYS A  35       5.584  -4.686  -5.523  1.00  0.00           H   new
ATOM      0  HD2 LYS A  35       6.853  -5.962  -3.261  1.00  0.00           H   new
ATOM      0  HD3 LYS A  35       6.737  -7.142  -4.551  1.00  0.00           H   new
ATOM      0  HE2 LYS A  35       7.601  -5.085  -6.052  1.00  0.00           H   new
ATOM      0  HE3 LYS A  35       8.213  -4.508  -4.515  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  35       9.841  -5.868  -5.652  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  35       9.358  -6.622  -4.209  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  35       8.765  -7.181  -5.699  1.00  0.00           H   new
ATOM    490  N   CYS A  36       2.674  -2.149  -2.945  1.00  0.00           N
ATOM    491  CA  CYS A  36       2.014  -1.338  -1.935  1.00  0.00           C
ATOM    492  C   CYS A  36       0.928  -0.507  -2.621  1.00  0.00           C
ATOM    493  O   CYS A  36       0.692   0.641  -2.248  1.00  0.00           O
ATOM    494  CB  CYS A  36       3.010  -0.460  -1.175  1.00  0.00           C
ATOM    495  SG  CYS A  36       4.015  -1.344   0.073  1.00  0.00           S
ATOM      0  H   CYS A  36       3.169  -1.618  -3.662  1.00  0.00           H   new
ATOM      0  HA  CYS A  36       1.557  -1.985  -1.187  1.00  0.00           H   new
ATOM      0  HB2 CYS A  36       3.681   0.011  -1.894  1.00  0.00           H   new
ATOM      0  HB3 CYS A  36       2.462   0.341  -0.679  1.00  0.00           H   new
ATOM    500  N   LYS A  37       0.297  -1.119  -3.612  1.00  0.00           N
ATOM    501  CA  LYS A  37      -0.759  -0.450  -4.353  1.00  0.00           C
ATOM    502  C   LYS A  37      -1.732   0.203  -3.370  1.00  0.00           C
ATOM    503  O   LYS A  37      -1.878   1.424  -3.355  1.00  0.00           O
ATOM    504  CB  LYS A  37      -1.428  -1.422  -5.327  1.00  0.00           C
ATOM    505  CG  LYS A  37      -0.905  -1.220  -6.750  1.00  0.00           C
ATOM    506  CD  LYS A  37      -1.408  -2.325  -7.682  1.00  0.00           C
ATOM    507  CE  LYS A  37      -0.240  -3.058  -8.343  1.00  0.00           C
ATOM    508  NZ  LYS A  37      -0.160  -4.453  -7.854  1.00  0.00           N
ATOM      0  H   LYS A  37       0.497  -2.071  -3.919  1.00  0.00           H   new
ATOM      0  HA  LYS A  37      -0.345   0.348  -4.969  1.00  0.00           H   new
ATOM      0  HB2 LYS A  37      -1.240  -2.448  -5.009  1.00  0.00           H   new
ATOM      0  HB3 LYS A  37      -2.508  -1.275  -5.308  1.00  0.00           H   new
ATOM      0  HG2 LYS A  37      -1.227  -0.249  -7.125  1.00  0.00           H   new
ATOM      0  HG3 LYS A  37       0.185  -1.214  -6.743  1.00  0.00           H   new
ATOM      0  HD2 LYS A  37      -2.014  -3.034  -7.118  1.00  0.00           H   new
ATOM      0  HD3 LYS A  37      -2.052  -1.894  -8.448  1.00  0.00           H   new
ATOM      0  HE2 LYS A  37      -0.366  -3.053  -9.426  1.00  0.00           H   new
ATOM      0  HE3 LYS A  37       0.693  -2.537  -8.128  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  37       0.285  -5.050  -8.580  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  37       0.409  -4.484  -6.984  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  37      -1.118  -4.806  -7.654  1.00  0.00           H   new
ATOM    522  N   ALA A  38      -2.372  -0.639  -2.572  1.00  0.00           N
ATOM    523  CA  ALA A  38      -3.326  -0.159  -1.588  1.00  0.00           C
ATOM    524  C   ALA A  38      -2.783   1.114  -0.936  1.00  0.00           C
ATOM    525  O   ALA A  38      -3.325   2.199  -1.138  1.00  0.00           O
ATOM    526  CB  ALA A  38      -3.607  -1.264  -0.567  1.00  0.00           C
ATOM      0  H   ALA A  38      -2.248  -1.651  -2.587  1.00  0.00           H   new
ATOM      0  HA  ALA A  38      -4.274   0.093  -2.064  1.00  0.00           H   new
ATOM      0  HB1 ALA A  38      -4.323  -0.903   0.172  1.00  0.00           H   new
ATOM      0  HB2 ALA A  38      -4.019  -2.135  -1.077  1.00  0.00           H   new
ATOM      0  HB3 ALA A  38      -2.679  -1.542  -0.067  1.00  0.00           H   new
ATOM    532  N   THR A  39      -1.719   0.938  -0.166  1.00  0.00           N
ATOM    533  CA  THR A  39      -1.097   2.059   0.518  1.00  0.00           C
ATOM    534  C   THR A  39      -1.028   3.276  -0.407  1.00  0.00           C
ATOM    535  O   THR A  39      -1.114   4.414   0.051  1.00  0.00           O
ATOM    536  CB  THR A  39       0.273   1.603   1.024  1.00  0.00           C
ATOM    537  OG1 THR A  39      -0.030   0.597   1.986  1.00  0.00           O
ATOM    538  CG2 THR A  39       0.989   2.687   1.832  1.00  0.00           C
ATOM      0  H   THR A  39      -1.272   0.036  -0.001  1.00  0.00           H   new
ATOM      0  HA  THR A  39      -1.688   2.375   1.377  1.00  0.00           H   new
ATOM      0  HB  THR A  39       0.894   1.311   0.177  1.00  0.00           H   new
ATOM      0  HG1 THR A  39      -0.435   1.011   2.776  1.00  0.00           H   new
ATOM      0 HG21 THR A  39       1.956   2.312   2.167  1.00  0.00           H   new
ATOM      0 HG22 THR A  39       1.138   3.568   1.207  1.00  0.00           H   new
ATOM      0 HG23 THR A  39       0.384   2.955   2.698  1.00  0.00           H   new
ATOM    546  N   CYS A  40      -0.874   2.994  -1.693  1.00  0.00           N
ATOM    547  CA  CYS A  40      -0.793   4.052  -2.686  1.00  0.00           C
ATOM    548  C   CYS A  40      -2.215   4.503  -3.024  1.00  0.00           C
ATOM    549  O   CYS A  40      -2.638   5.587  -2.624  1.00  0.00           O
ATOM    550  CB  CYS A  40      -0.026   3.601  -3.931  1.00  0.00           C
ATOM    551  SG  CYS A  40       1.640   2.918  -3.601  1.00  0.00           S
ATOM      0  H   CYS A  40      -0.803   2.049  -2.070  1.00  0.00           H   new
ATOM      0  HA  CYS A  40      -0.233   4.894  -2.280  1.00  0.00           H   new
ATOM      0  HB2 CYS A  40      -0.616   2.846  -4.451  1.00  0.00           H   new
ATOM      0  HB3 CYS A  40       0.072   4.450  -4.607  1.00  0.00           H   new
ATOM    556  N   LEU A  41      -2.914   3.650  -3.758  1.00  0.00           N
ATOM    557  CA  LEU A  41      -4.279   3.947  -4.155  1.00  0.00           C
ATOM    558  C   LEU A  41      -5.199   3.813  -2.940  1.00  0.00           C
ATOM    559  O   LEU A  41      -5.652   4.814  -2.386  1.00  0.00           O
ATOM    560  CB  LEU A  41      -4.695   3.074  -5.341  1.00  0.00           C
ATOM    561  CG  LEU A  41      -3.629   2.849  -6.415  1.00  0.00           C
ATOM    562  CD1 LEU A  41      -3.561   1.375  -6.819  1.00  0.00           C
ATOM    563  CD2 LEU A  41      -3.861   3.764  -7.619  1.00  0.00           C
ATOM      0  H   LEU A  41      -2.560   2.752  -4.088  1.00  0.00           H   new
ATOM      0  HA  LEU A  41      -4.359   4.976  -4.504  1.00  0.00           H   new
ATOM      0  HB2 LEU A  41      -5.008   2.102  -4.959  1.00  0.00           H   new
ATOM      0  HB3 LEU A  41      -5.567   3.528  -5.812  1.00  0.00           H   new
ATOM      0  HG  LEU A  41      -2.659   3.112  -5.994  1.00  0.00           H   new
ATOM      0 HD11 LEU A  41      -2.796   1.242  -7.584  1.00  0.00           H   new
ATOM      0 HD12 LEU A  41      -3.312   0.770  -5.947  1.00  0.00           H   new
ATOM      0 HD13 LEU A  41      -4.527   1.061  -7.214  1.00  0.00           H   new
ATOM      0 HD21 LEU A  41      -3.089   3.583  -8.367  1.00  0.00           H   new
ATOM      0 HD22 LEU A  41      -4.840   3.556  -8.050  1.00  0.00           H   new
ATOM      0 HD23 LEU A  41      -3.819   4.805  -7.298  1.00  0.00           H   new