USER  MOD reduce.3.24.130724 H: found=0, std=0, add=200, rem=0, adj=9
USER  MOD reduce.3.24.130724 removed 197 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 Set 1.1: A  18 CYS SG  :   rot  137:sc=    1.22
USER  MOD Set 1.2: A  23 CYS SG  :   rot  138:sc=   0.668
USER  MOD Set 1.3: A  35 CYS SG  :   rot -133:sc=    1.23
USER  MOD Set 1.4: A  38 CYS SG  :   rot  144:sc=   0.747
USER  MOD Single : A  17 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  20 LYS NZ  :NH3+   -129:sc=   -1.64!  (180deg=-4.47!)
USER  MOD Single : A  25 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  28 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  31 ASN     :      amide:sc= -0.0139  K(o=-0.014,f=-1.2)
USER  MOD Single : A  32 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  36 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  42 TYR OH  :   rot  180:sc=       0
USER  MOD -----------------------------------------------------------------
ATOM    183  N   LYS A  17      -3.625  -8.100   0.238  1.00  0.00           N
ATOM    184  CA  LYS A  17      -2.363  -7.798   0.904  1.00  0.00           C
ATOM    185  C   LYS A  17      -1.699  -6.574   0.281  1.00  0.00           C
ATOM    186  O   LYS A  17      -2.143  -6.072  -0.752  1.00  0.00           O
ATOM    187  CB  LYS A  17      -1.419  -9.000   0.822  1.00  0.00           C
ATOM    188  CG  LYS A  17      -0.386  -9.039   1.935  1.00  0.00           C
ATOM    189  CD  LYS A  17       0.207 -10.429   2.097  1.00  0.00           C
ATOM    190  CE  LYS A  17      -0.652 -11.298   3.003  1.00  0.00           C
ATOM    191  NZ  LYS A  17       0.144 -12.377   3.652  1.00  0.00           N
ATOM      0  HA  LYS A  17      -2.576  -7.581   1.951  1.00  0.00           H   new
ATOM      0  HB2 LYS A  17      -2.008  -9.917   0.852  1.00  0.00           H   new
ATOM      0  HB3 LYS A  17      -0.905  -8.983  -0.139  1.00  0.00           H   new
ATOM      0  HG2 LYS A  17       0.410  -8.326   1.719  1.00  0.00           H   new
ATOM      0  HG3 LYS A  17      -0.848  -8.728   2.872  1.00  0.00           H   new
ATOM      0  HD2 LYS A  17       0.301 -10.902   1.120  1.00  0.00           H   new
ATOM      0  HD3 LYS A  17       1.212 -10.351   2.512  1.00  0.00           H   new
ATOM      0  HE2 LYS A  17      -1.115 -10.677   3.770  1.00  0.00           H   new
ATOM      0  HE3 LYS A  17      -1.460 -11.742   2.421  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  17      -0.476 -12.948   4.261  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  17       0.566 -12.985   2.921  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  17       0.899 -11.953   4.227  1.00  0.00           H   new
ATOM    205  N   CYS A  18      -0.633  -6.098   0.915  1.00  0.00           N
ATOM    206  CA  CYS A  18       0.093  -4.933   0.424  1.00  0.00           C
ATOM    207  C   CYS A  18       0.796  -5.246  -0.893  1.00  0.00           C
ATOM    208  O   CYS A  18       1.461  -6.274  -1.025  1.00  0.00           O
ATOM    209  CB  CYS A  18       1.115  -4.467   1.463  1.00  0.00           C
ATOM    210  SG  CYS A  18       1.935  -2.894   1.046  1.00  0.00           S
ATOM      0  H   CYS A  18      -0.252  -6.502   1.771  1.00  0.00           H   new
ATOM      0  HA  CYS A  18      -0.627  -4.134   0.250  1.00  0.00           H   new
ATOM      0  HB2 CYS A  18       0.615  -4.360   2.426  1.00  0.00           H   new
ATOM      0  HB3 CYS A  18       1.874  -5.240   1.582  1.00  0.00           H   new
ATOM      0  HG  CYS A  18       2.007  -2.147   2.108  1.00  0.00           H   new
ATOM    215  N   ARG A  19       0.646  -4.353  -1.866  1.00  0.00           N
ATOM    216  CA  ARG A  19       1.265  -4.534  -3.173  1.00  0.00           C
ATOM    217  C   ARG A  19       2.704  -5.021  -3.029  1.00  0.00           C
ATOM    218  O   ARG A  19       3.090  -6.034  -3.613  1.00  0.00           O
ATOM    219  CB  ARG A  19       1.235  -3.223  -3.961  1.00  0.00           C
ATOM    220  CG  ARG A  19      -0.163  -2.662  -4.157  1.00  0.00           C
ATOM    221  CD  ARG A  19      -0.799  -3.185  -5.435  1.00  0.00           C
ATOM    222  NE  ARG A  19      -1.220  -4.578  -5.307  1.00  0.00           N
ATOM    223  CZ  ARG A  19      -1.810  -5.260  -6.282  1.00  0.00           C
ATOM    224  NH1 ARG A  19      -2.049  -4.681  -7.451  1.00  0.00           N
ATOM    225  NH2 ARG A  19      -2.163  -6.525  -6.089  1.00  0.00           N
ATOM      0  H   ARG A  19       0.100  -3.496  -1.773  1.00  0.00           H   new
ATOM      0  HA  ARG A  19       0.696  -5.289  -3.716  1.00  0.00           H   new
ATOM      0  HB2 ARG A  19       1.845  -2.483  -3.442  1.00  0.00           H   new
ATOM      0  HB3 ARG A  19       1.692  -3.385  -4.937  1.00  0.00           H   new
ATOM      0  HG2 ARG A  19      -0.786  -2.929  -3.304  1.00  0.00           H   new
ATOM      0  HG3 ARG A  19      -0.118  -1.573  -4.191  1.00  0.00           H   new
ATOM      0  HD2 ARG A  19      -1.661  -2.568  -5.690  1.00  0.00           H   new
ATOM      0  HD3 ARG A  19      -0.088  -3.095  -6.257  1.00  0.00           H   new
ATOM      0  HE  ARG A  19      -1.052  -5.053  -4.420  1.00  0.00           H   new
ATOM      0 HH11 ARG A  19      -1.779  -3.709  -7.603  1.00  0.00           H   new
ATOM      0 HH12 ARG A  19      -2.502  -5.208  -8.198  1.00  0.00           H   new
ATOM      0 HH21 ARG A  19      -1.981  -6.974  -5.191  1.00  0.00           H   new
ATOM      0 HH22 ARG A  19      -2.616  -7.048  -6.838  1.00  0.00           H   new
ATOM    239  N   LYS A  20       3.495  -4.292  -2.249  1.00  0.00           N
ATOM    240  CA  LYS A  20       4.891  -4.649  -2.027  1.00  0.00           C
ATOM    241  C   LYS A  20       5.012  -6.077  -1.507  1.00  0.00           C
ATOM    242  O   LYS A  20       4.225  -6.510  -0.666  1.00  0.00           O
ATOM    243  CB  LYS A  20       5.536  -3.677  -1.036  1.00  0.00           C
ATOM    244  CG  LYS A  20       7.054  -3.721  -1.041  1.00  0.00           C
ATOM    245  CD  LYS A  20       7.638  -2.714  -2.018  1.00  0.00           C
ATOM    246  CE  LYS A  20       7.825  -3.321  -3.400  1.00  0.00           C
ATOM    247  NZ  LYS A  20       6.626  -3.122  -4.260  1.00  0.00           N
ATOM      0  H   LYS A  20       3.193  -3.450  -1.760  1.00  0.00           H   new
ATOM      0  HA  LYS A  20       5.413  -4.584  -2.982  1.00  0.00           H   new
ATOM      0  HB2 LYS A  20       5.210  -2.664  -1.269  1.00  0.00           H   new
ATOM      0  HB3 LYS A  20       5.178  -3.904  -0.032  1.00  0.00           H   new
ATOM      0  HG2 LYS A  20       7.428  -3.515  -0.038  1.00  0.00           H   new
ATOM      0  HG3 LYS A  20       7.389  -4.724  -1.307  1.00  0.00           H   new
ATOM      0  HD2 LYS A  20       6.980  -1.848  -2.086  1.00  0.00           H   new
ATOM      0  HD3 LYS A  20       8.597  -2.357  -1.644  1.00  0.00           H   new
ATOM      0  HE2 LYS A  20       8.694  -2.871  -3.879  1.00  0.00           H   new
ATOM      0  HE3 LYS A  20       8.030  -4.387  -3.304  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  20       6.339  -4.033  -4.671  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  20       5.847  -2.740  -3.687  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  20       6.854  -2.454  -5.024  1.00  0.00           H   new
ATOM    261  N   ALA A  21       6.003  -6.805  -2.012  1.00  0.00           N
ATOM    262  CA  ALA A  21       6.228  -8.183  -1.595  1.00  0.00           C
ATOM    263  C   ALA A  21       6.776  -8.244  -0.173  1.00  0.00           C
ATOM    264  O   ALA A  21       6.158  -8.830   0.715  1.00  0.00           O
ATOM    265  CB  ALA A  21       7.179  -8.877  -2.559  1.00  0.00           C
ATOM      0  H   ALA A  21       6.663  -6.463  -2.711  1.00  0.00           H   new
ATOM      0  HA  ALA A  21       5.270  -8.702  -1.610  1.00  0.00           H   new
ATOM      0  HB1 ALA A  21       7.338  -9.906  -2.236  1.00  0.00           H   new
ATOM      0  HB2 ALA A  21       6.748  -8.874  -3.560  1.00  0.00           H   new
ATOM      0  HB3 ALA A  21       8.133  -8.349  -2.573  1.00  0.00           H   new
ATOM    271  N   GLY A  22       7.939  -7.636   0.035  1.00  0.00           N
ATOM    272  CA  GLY A  22       8.550  -7.634   1.351  1.00  0.00           C
ATOM    273  C   GLY A  22       7.559  -7.306   2.450  1.00  0.00           C
ATOM    274  O   GLY A  22       7.608  -7.887   3.535  1.00  0.00           O
ATOM      0  H   GLY A  22       8.469  -7.145  -0.684  1.00  0.00           H   new
ATOM      0  HA2 GLY A  22       8.992  -8.611   1.544  1.00  0.00           H   new
ATOM      0  HA3 GLY A  22       9.362  -6.907   1.370  1.00  0.00           H   new
ATOM    278  N   CYS A  23       6.657  -6.371   2.171  1.00  0.00           N
ATOM    279  CA  CYS A  23       5.650  -5.965   3.145  1.00  0.00           C
ATOM    280  C   CYS A  23       4.725  -7.129   3.489  1.00  0.00           C
ATOM    281  O   CYS A  23       4.101  -7.721   2.609  1.00  0.00           O
ATOM    282  CB  CYS A  23       4.832  -4.791   2.603  1.00  0.00           C
ATOM    283  SG  CYS A  23       4.183  -3.679   3.893  1.00  0.00           S
ATOM      0  H   CYS A  23       6.603  -5.880   1.279  1.00  0.00           H   new
ATOM      0  HA  CYS A  23       6.164  -5.653   4.054  1.00  0.00           H   new
ATOM      0  HB2 CYS A  23       5.454  -4.213   1.920  1.00  0.00           H   new
ATOM      0  HB3 CYS A  23       3.997  -5.182   2.021  1.00  0.00           H   new
ATOM      0  HG  CYS A  23       4.321  -2.444   3.511  1.00  0.00           H   new
ATOM    288  N   VAL A  24       4.642  -7.450   4.776  1.00  0.00           N
ATOM    289  CA  VAL A  24       3.792  -8.542   5.238  1.00  0.00           C
ATOM    290  C   VAL A  24       2.358  -8.070   5.450  1.00  0.00           C
ATOM    291  O   VAL A  24       1.406  -8.757   5.080  1.00  0.00           O
ATOM    292  CB  VAL A  24       4.321  -9.148   6.551  1.00  0.00           C
ATOM    293  CG1 VAL A  24       5.708  -9.737   6.347  1.00  0.00           C
ATOM    294  CG2 VAL A  24       4.335  -8.100   7.653  1.00  0.00           C
ATOM      0  H   VAL A  24       5.152  -6.970   5.517  1.00  0.00           H   new
ATOM      0  HA  VAL A  24       3.809  -9.307   4.461  1.00  0.00           H   new
ATOM      0  HB  VAL A  24       3.652  -9.953   6.855  1.00  0.00           H   new
ATOM      0 HG11 VAL A  24       6.065 -10.160   7.286  1.00  0.00           H   new
ATOM      0 HG12 VAL A  24       5.663 -10.520   5.590  1.00  0.00           H   new
ATOM      0 HG13 VAL A  24       6.391  -8.954   6.019  1.00  0.00           H   new
ATOM      0 HG21 VAL A  24       4.712  -8.545   8.574  1.00  0.00           H   new
ATOM      0 HG22 VAL A  24       4.981  -7.272   7.360  1.00  0.00           H   new
ATOM      0 HG23 VAL A  24       3.323  -7.730   7.816  1.00  0.00           H   new
ATOM    304  N   TYR A  25       2.211  -6.893   6.047  1.00  0.00           N
ATOM    305  CA  TYR A  25       0.892  -6.329   6.311  1.00  0.00           C
ATOM    306  C   TYR A  25       0.059  -6.271   5.034  1.00  0.00           C
ATOM    307  O   TYR A  25       0.529  -6.634   3.955  1.00  0.00           O
ATOM    308  CB  TYR A  25       1.024  -4.928   6.911  1.00  0.00           C
ATOM    309  CG  TYR A  25       2.037  -4.842   8.030  1.00  0.00           C
ATOM    310  CD1 TYR A  25       1.980  -5.709   9.114  1.00  0.00           C
ATOM    311  CD2 TYR A  25       3.053  -3.894   8.003  1.00  0.00           C
ATOM    312  CE1 TYR A  25       2.903  -5.633  10.139  1.00  0.00           C
ATOM    313  CE2 TYR A  25       3.981  -3.812   9.022  1.00  0.00           C
ATOM    314  CZ  TYR A  25       3.901  -4.683  10.089  1.00  0.00           C
ATOM    315  OH  TYR A  25       4.824  -4.605  11.107  1.00  0.00           O
ATOM      0  H   TYR A  25       2.989  -6.310   6.357  1.00  0.00           H   new
ATOM      0  HA  TYR A  25       0.384  -6.977   7.026  1.00  0.00           H   new
ATOM      0  HB2 TYR A  25       1.305  -4.229   6.123  1.00  0.00           H   new
ATOM      0  HB3 TYR A  25       0.052  -4.610   7.287  1.00  0.00           H   new
ATOM      0  HD1 TYR A  25       1.201  -6.455   9.156  1.00  0.00           H   new
ATOM      0  HD2 TYR A  25       3.118  -3.209   7.170  1.00  0.00           H   new
ATOM      0  HE1 TYR A  25       2.843  -6.314  10.975  1.00  0.00           H   new
ATOM      0  HE2 TYR A  25       4.765  -3.070   8.984  1.00  0.00           H   new
ATOM      0  HH  TYR A  25       5.460  -3.883  10.918  1.00  0.00           H   new
ATOM    325  N   PHE A  26      -1.180  -5.811   5.164  1.00  0.00           N
ATOM    326  CA  PHE A  26      -2.080  -5.704   4.022  1.00  0.00           C
ATOM    327  C   PHE A  26      -2.213  -4.254   3.567  1.00  0.00           C
ATOM    328  O   PHE A  26      -1.780  -3.333   4.258  1.00  0.00           O
ATOM    329  CB  PHE A  26      -3.458  -6.267   4.377  1.00  0.00           C
ATOM    330  CG  PHE A  26      -4.317  -5.307   5.150  1.00  0.00           C
ATOM    331  CD1 PHE A  26      -4.037  -5.020   6.476  1.00  0.00           C
ATOM    332  CD2 PHE A  26      -5.404  -4.692   4.550  1.00  0.00           C
ATOM    333  CE1 PHE A  26      -4.824  -4.136   7.190  1.00  0.00           C
ATOM    334  CE2 PHE A  26      -6.195  -3.808   5.259  1.00  0.00           C
ATOM    335  CZ  PHE A  26      -5.906  -3.530   6.581  1.00  0.00           C
ATOM      0  H   PHE A  26      -1.584  -5.506   6.049  1.00  0.00           H   new
ATOM      0  HA  PHE A  26      -1.657  -6.286   3.203  1.00  0.00           H   new
ATOM      0  HB2 PHE A  26      -3.975  -6.546   3.459  1.00  0.00           H   new
ATOM      0  HB3 PHE A  26      -3.330  -7.179   4.961  1.00  0.00           H   new
ATOM      0  HD1 PHE A  26      -3.194  -5.493   6.958  1.00  0.00           H   new
ATOM      0  HD2 PHE A  26      -5.636  -4.906   3.517  1.00  0.00           H   new
ATOM      0  HE1 PHE A  26      -4.593  -3.919   8.223  1.00  0.00           H   new
ATOM      0  HE2 PHE A  26      -7.039  -3.335   4.780  1.00  0.00           H   new
ATOM      0  HZ  PHE A  26      -6.524  -2.841   7.137  1.00  0.00           H   new
ATOM    345  N   GLY A  27      -2.815  -4.059   2.397  1.00  0.00           N
ATOM    346  CA  GLY A  27      -2.993  -2.720   1.869  1.00  0.00           C
ATOM    347  C   GLY A  27      -4.451  -2.377   1.637  1.00  0.00           C
ATOM    348  O   GLY A  27      -5.345  -3.046   2.158  1.00  0.00           O
ATOM      0  H   GLY A  27      -3.182  -4.805   1.806  1.00  0.00           H   new
ATOM      0  HA2 GLY A  27      -2.559  -1.999   2.562  1.00  0.00           H   new
ATOM      0  HA3 GLY A  27      -2.447  -2.628   0.930  1.00  0.00           H   new
ATOM    352  N   THR A  28      -4.695  -1.330   0.854  1.00  0.00           N
ATOM    353  CA  THR A  28      -6.055  -0.898   0.558  1.00  0.00           C
ATOM    354  C   THR A  28      -6.161  -0.355  -0.863  1.00  0.00           C
ATOM    355  O   THR A  28      -5.186   0.117  -1.447  1.00  0.00           O
ATOM    356  CB  THR A  28      -6.529   0.184   1.546  1.00  0.00           C
ATOM    357  OG1 THR A  28      -5.525   1.197   1.682  1.00  0.00           O
ATOM    358  CG2 THR A  28      -6.831  -0.422   2.908  1.00  0.00           C
ATOM      0  H   THR A  28      -3.968  -0.766   0.414  1.00  0.00           H   new
ATOM      0  HA  THR A  28      -6.695  -1.775   0.658  1.00  0.00           H   new
ATOM      0  HB  THR A  28      -7.443   0.629   1.152  1.00  0.00           H   new
ATOM      0  HG1 THR A  28      -5.835   1.882   2.311  1.00  0.00           H   new
ATOM      0 HG21 THR A  28      -7.164   0.361   3.589  1.00  0.00           H   new
ATOM      0 HG22 THR A  28      -7.615  -1.172   2.807  1.00  0.00           H   new
ATOM      0 HG23 THR A  28      -5.930  -0.890   3.306  1.00  0.00           H   new
ATOM    366  N   PRO A  29      -7.374  -0.420  -1.432  1.00  0.00           N
ATOM    367  CA  PRO A  29      -7.636   0.063  -2.791  1.00  0.00           C
ATOM    368  C   PRO A  29      -7.563   1.583  -2.891  1.00  0.00           C
ATOM    369  O   PRO A  29      -7.405   2.135  -3.980  1.00  0.00           O
ATOM    370  CB  PRO A  29      -9.061  -0.423  -3.071  1.00  0.00           C
ATOM    371  CG  PRO A  29      -9.687  -0.556  -1.726  1.00  0.00           C
ATOM    372  CD  PRO A  29      -8.582  -0.969  -0.794  1.00  0.00           C
ATOM      0  HA  PRO A  29      -6.897  -0.304  -3.503  1.00  0.00           H   new
ATOM      0  HB2 PRO A  29      -9.606   0.287  -3.693  1.00  0.00           H   new
ATOM      0  HB3 PRO A  29      -9.057  -1.375  -3.602  1.00  0.00           H   new
ATOM      0  HG2 PRO A  29     -10.134   0.386  -1.409  1.00  0.00           H   new
ATOM      0  HG3 PRO A  29     -10.485  -1.299  -1.739  1.00  0.00           H   new
ATOM      0  HD2 PRO A  29      -8.728  -0.563   0.207  1.00  0.00           H   new
ATOM      0  HD3 PRO A  29      -8.526  -2.053  -0.693  1.00  0.00           H   new
ATOM    380  N   GLU A  30      -7.678   2.253  -1.749  1.00  0.00           N
ATOM    381  CA  GLU A  30      -7.625   3.709  -1.709  1.00  0.00           C
ATOM    382  C   GLU A  30      -6.181   4.202  -1.740  1.00  0.00           C
ATOM    383  O   GLU A  30      -5.880   5.237  -2.333  1.00  0.00           O
ATOM    384  CB  GLU A  30      -8.328   4.234  -0.456  1.00  0.00           C
ATOM    385  CG  GLU A  30      -8.261   5.745  -0.307  1.00  0.00           C
ATOM    386  CD  GLU A  30      -9.256   6.276   0.706  1.00  0.00           C
ATOM    387  OE1 GLU A  30     -10.445   6.418   0.350  1.00  0.00           O
ATOM    388  OE2 GLU A  30      -8.847   6.550   1.853  1.00  0.00           O
ATOM      0  H   GLU A  30      -7.808   1.810  -0.839  1.00  0.00           H   new
ATOM      0  HA  GLU A  30      -8.140   4.089  -2.591  1.00  0.00           H   new
ATOM      0  HB2 GLU A  30      -9.373   3.926  -0.480  1.00  0.00           H   new
ATOM      0  HB3 GLU A  30      -7.880   3.771   0.423  1.00  0.00           H   new
ATOM      0  HG2 GLU A  30      -7.254   6.032  -0.006  1.00  0.00           H   new
ATOM      0  HG3 GLU A  30      -8.450   6.210  -1.274  1.00  0.00           H   new
ATOM    395  N   ASN A  31      -5.292   3.452  -1.096  1.00  0.00           N
ATOM    396  CA  ASN A  31      -3.880   3.813  -1.048  1.00  0.00           C
ATOM    397  C   ASN A  31      -3.139   3.273  -2.267  1.00  0.00           C
ATOM    398  O   ASN A  31      -1.912   3.175  -2.269  1.00  0.00           O
ATOM    399  CB  ASN A  31      -3.238   3.274   0.233  1.00  0.00           C
ATOM    400  CG  ASN A  31      -3.838   3.888   1.483  1.00  0.00           C
ATOM    401  OD1 ASN A  31      -4.678   4.785   1.406  1.00  0.00           O
ATOM    402  ND2 ASN A  31      -3.409   3.405   2.643  1.00  0.00           N
ATOM      0  H   ASN A  31      -5.525   2.591  -0.601  1.00  0.00           H   new
ATOM      0  HA  ASN A  31      -3.808   4.901  -1.053  1.00  0.00           H   new
ATOM      0  HB2 ASN A  31      -3.359   2.191   0.269  1.00  0.00           H   new
ATOM      0  HB3 ASN A  31      -2.167   3.474   0.211  1.00  0.00           H   new
ATOM      0 HD21 ASN A  31      -3.777   3.778   3.518  1.00  0.00           H   new
ATOM      0 HD22 ASN A  31      -2.711   2.661   2.659  1.00  0.00           H   new
ATOM    409  N   LYS A  32      -3.893   2.925  -3.304  1.00  0.00           N
ATOM    410  CA  LYS A  32      -3.310   2.397  -4.532  1.00  0.00           C
ATOM    411  C   LYS A  32      -2.665   1.036  -4.287  1.00  0.00           C
ATOM    412  O   LYS A  32      -1.619   0.723  -4.853  1.00  0.00           O
ATOM    413  CB  LYS A  32      -2.270   3.373  -5.088  1.00  0.00           C
ATOM    414  CG  LYS A  32      -2.801   4.783  -5.279  1.00  0.00           C
ATOM    415  CD  LYS A  32      -3.421   4.964  -6.654  1.00  0.00           C
ATOM    416  CE  LYS A  32      -2.358   5.057  -7.737  1.00  0.00           C
ATOM    417  NZ  LYS A  32      -1.812   6.438  -7.861  1.00  0.00           N
ATOM      0  H   LYS A  32      -4.910   2.999  -3.319  1.00  0.00           H   new
ATOM      0  HA  LYS A  32      -4.111   2.274  -5.261  1.00  0.00           H   new
ATOM      0  HB2 LYS A  32      -1.415   3.404  -4.412  1.00  0.00           H   new
ATOM      0  HB3 LYS A  32      -1.907   2.998  -6.045  1.00  0.00           H   new
ATOM      0  HG2 LYS A  32      -3.545   5.000  -4.512  1.00  0.00           H   new
ATOM      0  HG3 LYS A  32      -1.990   5.499  -5.148  1.00  0.00           H   new
ATOM      0  HD2 LYS A  32      -4.087   4.128  -6.867  1.00  0.00           H   new
ATOM      0  HD3 LYS A  32      -4.031   5.867  -6.663  1.00  0.00           H   new
ATOM      0  HE2 LYS A  32      -1.547   4.365  -7.510  1.00  0.00           H   new
ATOM      0  HE3 LYS A  32      -2.784   4.748  -8.692  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  32      -1.090   6.460  -8.610  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  32      -2.581   7.095  -8.102  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  32      -1.383   6.724  -6.958  1.00  0.00           H   new
ATOM    431  N   GLY A  33      -3.298   0.231  -3.439  1.00  0.00           N
ATOM    432  CA  GLY A  33      -2.771  -1.087  -3.135  1.00  0.00           C
ATOM    433  C   GLY A  33      -1.823  -1.074  -1.953  1.00  0.00           C
ATOM    434  O   GLY A  33      -1.898  -1.937  -1.078  1.00  0.00           O
ATOM      0  H   GLY A  33      -4.165   0.468  -2.957  1.00  0.00           H   new
ATOM      0  HA2 GLY A  33      -3.598  -1.766  -2.926  1.00  0.00           H   new
ATOM      0  HA3 GLY A  33      -2.251  -1.477  -4.010  1.00  0.00           H   new
ATOM    438  N   PHE A  34      -0.926  -0.094  -1.927  1.00  0.00           N
ATOM    439  CA  PHE A  34       0.044   0.026  -0.844  1.00  0.00           C
ATOM    440  C   PHE A  34      -0.659   0.186   0.501  1.00  0.00           C
ATOM    441  O   PHE A  34      -1.796   0.656   0.568  1.00  0.00           O
ATOM    442  CB  PHE A  34       0.972   1.216  -1.092  1.00  0.00           C
ATOM    443  CG  PHE A  34       1.866   1.041  -2.287  1.00  0.00           C
ATOM    444  CD1 PHE A  34       3.041   0.312  -2.188  1.00  0.00           C
ATOM    445  CD2 PHE A  34       1.532   1.605  -3.507  1.00  0.00           C
ATOM    446  CE1 PHE A  34       3.865   0.149  -3.286  1.00  0.00           C
ATOM    447  CE2 PHE A  34       2.352   1.444  -4.608  1.00  0.00           C
ATOM    448  CZ  PHE A  34       3.521   0.716  -4.497  1.00  0.00           C
ATOM      0  H   PHE A  34      -0.850   0.628  -2.643  1.00  0.00           H   new
ATOM      0  HA  PHE A  34       0.637  -0.889  -0.818  1.00  0.00           H   new
ATOM      0  HB2 PHE A  34       0.370   2.114  -1.228  1.00  0.00           H   new
ATOM      0  HB3 PHE A  34       1.588   1.376  -0.207  1.00  0.00           H   new
ATOM      0  HD1 PHE A  34       3.316  -0.133  -1.243  1.00  0.00           H   new
ATOM      0  HD2 PHE A  34       0.621   2.177  -3.599  1.00  0.00           H   new
ATOM      0  HE1 PHE A  34       4.778  -0.422  -3.197  1.00  0.00           H   new
ATOM      0  HE2 PHE A  34       2.079   1.887  -5.554  1.00  0.00           H   new
ATOM      0  HZ  PHE A  34       4.164   0.591  -5.355  1.00  0.00           H   new
ATOM    458  N   CYS A  35       0.025  -0.207   1.570  1.00  0.00           N
ATOM    459  CA  CYS A  35      -0.533  -0.109   2.913  1.00  0.00           C
ATOM    460  C   CYS A  35      -0.301   1.281   3.498  1.00  0.00           C
ATOM    461  O   CYS A  35       0.336   2.132   2.875  1.00  0.00           O
ATOM    462  CB  CYS A  35       0.090  -1.168   3.825  1.00  0.00           C
ATOM    463  SG  CYS A  35       1.847  -0.880   4.208  1.00  0.00           S
ATOM      0  H   CYS A  35       0.967  -0.596   1.532  1.00  0.00           H   new
ATOM      0  HA  CYS A  35      -1.607  -0.282   2.847  1.00  0.00           H   new
ATOM      0  HB2 CYS A  35      -0.473  -1.205   4.758  1.00  0.00           H   new
ATOM      0  HB3 CYS A  35      -0.012  -2.145   3.352  1.00  0.00           H   new
ATOM      0  HG  CYS A  35       2.514  -1.983   4.041  1.00  0.00           H   new
ATOM    468  N   THR A  36      -0.822   1.506   4.700  1.00  0.00           N
ATOM    469  CA  THR A  36      -0.673   2.792   5.369  1.00  0.00           C
ATOM    470  C   THR A  36       0.787   3.232   5.398  1.00  0.00           C
ATOM    471  O   THR A  36       1.102   4.392   5.129  1.00  0.00           O
ATOM    472  CB  THR A  36      -1.209   2.741   6.812  1.00  0.00           C
ATOM    473  OG1 THR A  36      -2.563   2.273   6.815  1.00  0.00           O
ATOM    474  CG2 THR A  36      -1.140   4.113   7.465  1.00  0.00           C
ATOM      0  H   THR A  36      -1.351   0.814   5.230  1.00  0.00           H   new
ATOM      0  HA  THR A  36      -1.256   3.514   4.797  1.00  0.00           H   new
ATOM      0  HB  THR A  36      -0.585   2.053   7.383  1.00  0.00           H   new
ATOM      0  HG1 THR A  36      -2.896   2.242   7.736  1.00  0.00           H   new
ATOM      0 HG21 THR A  36      -1.524   4.051   8.483  1.00  0.00           H   new
ATOM      0 HG22 THR A  36      -0.105   4.454   7.488  1.00  0.00           H   new
ATOM      0 HG23 THR A  36      -1.742   4.819   6.893  1.00  0.00           H   new
ATOM    482  N   LEU A  37       1.674   2.299   5.725  1.00  0.00           N
ATOM    483  CA  LEU A  37       3.102   2.590   5.787  1.00  0.00           C
ATOM    484  C   LEU A  37       3.645   2.951   4.408  1.00  0.00           C
ATOM    485  O   LEU A  37       4.034   4.094   4.162  1.00  0.00           O
ATOM    486  CB  LEU A  37       3.864   1.388   6.348  1.00  0.00           C
ATOM    487  CG  LEU A  37       3.361   0.839   7.685  1.00  0.00           C
ATOM    488  CD1 LEU A  37       4.033  -0.488   8.003  1.00  0.00           C
ATOM    489  CD2 LEU A  37       3.607   1.845   8.800  1.00  0.00           C
ATOM      0  H   LEU A  37       1.430   1.335   5.951  1.00  0.00           H   new
ATOM      0  HA  LEU A  37       3.245   3.444   6.449  1.00  0.00           H   new
ATOM      0  HB2 LEU A  37       3.829   0.585   5.612  1.00  0.00           H   new
ATOM      0  HB3 LEU A  37       4.911   1.669   6.464  1.00  0.00           H   new
ATOM      0  HG  LEU A  37       2.287   0.669   7.607  1.00  0.00           H   new
ATOM      0 HD11 LEU A  37       3.663  -0.864   8.957  1.00  0.00           H   new
ATOM      0 HD12 LEU A  37       3.806  -1.208   7.217  1.00  0.00           H   new
ATOM      0 HD13 LEU A  37       5.112  -0.344   8.063  1.00  0.00           H   new
ATOM      0 HD21 LEU A  37       3.243   1.438   9.744  1.00  0.00           H   new
ATOM      0 HD22 LEU A  37       4.675   2.046   8.879  1.00  0.00           H   new
ATOM      0 HD23 LEU A  37       3.079   2.772   8.577  1.00  0.00           H   new
ATOM    501  N   CYS A  38       3.668   1.971   3.511  1.00  0.00           N
ATOM    502  CA  CYS A  38       4.161   2.186   2.156  1.00  0.00           C
ATOM    503  C   CYS A  38       3.585   3.469   1.564  1.00  0.00           C
ATOM    504  O   CYS A  38       4.322   4.327   1.078  1.00  0.00           O
ATOM    505  CB  CYS A  38       3.802   0.994   1.266  1.00  0.00           C
ATOM    506  SG  CYS A  38       4.655  -0.552   1.713  1.00  0.00           S
ATOM      0  H   CYS A  38       3.351   1.020   3.698  1.00  0.00           H   new
ATOM      0  HA  CYS A  38       5.246   2.284   2.202  1.00  0.00           H   new
ATOM      0  HB2 CYS A  38       2.726   0.829   1.314  1.00  0.00           H   new
ATOM      0  HB3 CYS A  38       4.040   1.242   0.232  1.00  0.00           H   new
ATOM      0  HG  CYS A  38       3.853  -1.559   1.529  1.00  0.00           H   new
ATOM    511  N   PHE A  39       2.263   3.593   1.609  1.00  0.00           N
ATOM    512  CA  PHE A  39       1.587   4.771   1.076  1.00  0.00           C
ATOM    513  C   PHE A  39       2.352   6.043   1.430  1.00  0.00           C
ATOM    514  O   PHE A  39       2.508   6.937   0.598  1.00  0.00           O
ATOM    515  CB  PHE A  39       0.159   4.854   1.619  1.00  0.00           C
ATOM    516  CG  PHE A  39      -0.553   6.121   1.240  1.00  0.00           C
ATOM    517  CD1 PHE A  39      -1.060   6.291  -0.038  1.00  0.00           C
ATOM    518  CD2 PHE A  39      -0.716   7.142   2.163  1.00  0.00           C
ATOM    519  CE1 PHE A  39      -1.716   7.456  -0.390  1.00  0.00           C
ATOM    520  CE2 PHE A  39      -1.371   8.309   1.817  1.00  0.00           C
ATOM    521  CZ  PHE A  39      -1.871   8.466   0.539  1.00  0.00           C
ATOM      0  H   PHE A  39       1.638   2.893   2.009  1.00  0.00           H   new
ATOM      0  HA  PHE A  39       1.551   4.679  -0.010  1.00  0.00           H   new
ATOM      0  HB2 PHE A  39      -0.412   4.002   1.250  1.00  0.00           H   new
ATOM      0  HB3 PHE A  39       0.187   4.773   2.706  1.00  0.00           H   new
ATOM      0  HD1 PHE A  39      -0.941   5.504  -0.768  1.00  0.00           H   new
ATOM      0  HD2 PHE A  39      -0.327   7.024   3.164  1.00  0.00           H   new
ATOM      0  HE1 PHE A  39      -2.107   7.576  -1.390  1.00  0.00           H   new
ATOM      0  HE2 PHE A  39      -1.492   9.097   2.545  1.00  0.00           H   new
ATOM      0  HZ  PHE A  39      -2.382   9.377   0.267  1.00  0.00           H   new
ATOM    531  N   ILE A  40       2.826   6.116   2.669  1.00  0.00           N
ATOM    532  CA  ILE A  40       3.575   7.277   3.133  1.00  0.00           C
ATOM    533  C   ILE A  40       4.864   7.453   2.337  1.00  0.00           C
ATOM    534  O   ILE A  40       5.146   8.537   1.827  1.00  0.00           O
ATOM    535  CB  ILE A  40       3.920   7.163   4.629  1.00  0.00           C
ATOM    536  CG1 ILE A  40       2.643   7.043   5.462  1.00  0.00           C
ATOM    537  CG2 ILE A  40       4.739   8.365   5.077  1.00  0.00           C
ATOM    538  CD1 ILE A  40       2.866   6.430   6.827  1.00  0.00           C
ATOM      0  H   ILE A  40       2.705   5.385   3.370  1.00  0.00           H   new
ATOM      0  HA  ILE A  40       2.936   8.147   2.982  1.00  0.00           H   new
ATOM      0  HB  ILE A  40       4.517   6.264   4.781  1.00  0.00           H   new
ATOM      0 HG12 ILE A  40       2.205   8.033   5.585  1.00  0.00           H   new
ATOM      0 HG13 ILE A  40       1.918   6.439   4.916  1.00  0.00           H   new
ATOM      0 HG21 ILE A  40       4.975   8.270   6.137  1.00  0.00           H   new
ATOM      0 HG22 ILE A  40       5.664   8.410   4.502  1.00  0.00           H   new
ATOM      0 HG23 ILE A  40       4.165   9.277   4.914  1.00  0.00           H   new
ATOM      0 HD11 ILE A  40       1.917   6.376   7.361  1.00  0.00           H   new
ATOM      0 HD12 ILE A  40       3.275   5.426   6.713  1.00  0.00           H   new
ATOM      0 HD13 ILE A  40       3.566   7.045   7.392  1.00  0.00           H   new
ATOM    550  N   GLU A  41       5.642   6.380   2.234  1.00  0.00           N
ATOM    551  CA  GLU A  41       6.900   6.417   1.500  1.00  0.00           C
ATOM    552  C   GLU A  41       6.674   6.846   0.053  1.00  0.00           C
ATOM    553  O   GLU A  41       7.336   7.755  -0.448  1.00  0.00           O
ATOM    554  CB  GLU A  41       7.578   5.045   1.536  1.00  0.00           C
ATOM    555  CG  GLU A  41       8.324   4.769   2.831  1.00  0.00           C
ATOM    556  CD  GLU A  41       7.512   5.130   4.060  1.00  0.00           C
ATOM    557  OE1 GLU A  41       6.772   4.257   4.560  1.00  0.00           O
ATOM    558  OE2 GLU A  41       7.617   6.286   4.521  1.00  0.00           O
ATOM      0  H   GLU A  41       5.423   5.475   2.650  1.00  0.00           H   new
ATOM      0  HA  GLU A  41       7.549   7.149   1.981  1.00  0.00           H   new
ATOM      0  HB2 GLU A  41       6.823   4.272   1.389  1.00  0.00           H   new
ATOM      0  HB3 GLU A  41       8.276   4.972   0.702  1.00  0.00           H   new
ATOM      0  HG2 GLU A  41       8.591   3.713   2.874  1.00  0.00           H   new
ATOM      0  HG3 GLU A  41       9.256   5.334   2.837  1.00  0.00           H   new
ATOM    565  N   TYR A  42       5.734   6.185  -0.613  1.00  0.00           N
ATOM    566  CA  TYR A  42       5.421   6.495  -2.003  1.00  0.00           C
ATOM    567  C   TYR A  42       5.338   8.002  -2.220  1.00  0.00           C
ATOM    568  O   TYR A  42       5.950   8.543  -3.141  1.00  0.00           O
ATOM    569  CB  TYR A  42       4.101   5.837  -2.410  1.00  0.00           C
ATOM    570  CG  TYR A  42       3.865   5.825  -3.903  1.00  0.00           C
ATOM    571  CD1 TYR A  42       3.747   7.011  -4.617  1.00  0.00           C
ATOM    572  CD2 TYR A  42       3.761   4.628  -4.601  1.00  0.00           C
ATOM    573  CE1 TYR A  42       3.531   7.005  -5.982  1.00  0.00           C
ATOM    574  CE2 TYR A  42       3.546   4.612  -5.965  1.00  0.00           C
ATOM    575  CZ  TYR A  42       3.431   5.803  -6.651  1.00  0.00           C
ATOM    576  OH  TYR A  42       3.217   5.793  -8.010  1.00  0.00           O
ATOM      0  H   TYR A  42       5.175   5.431  -0.213  1.00  0.00           H   new
ATOM      0  HA  TYR A  42       6.224   6.100  -2.626  1.00  0.00           H   new
ATOM      0  HB2 TYR A  42       4.087   4.812  -2.040  1.00  0.00           H   new
ATOM      0  HB3 TYR A  42       3.278   6.362  -1.925  1.00  0.00           H   new
ATOM      0  HD1 TYR A  42       3.825   7.954  -4.096  1.00  0.00           H   new
ATOM      0  HD2 TYR A  42       3.850   3.693  -4.067  1.00  0.00           H   new
ATOM      0  HE1 TYR A  42       3.441   7.936  -6.522  1.00  0.00           H   new
ATOM      0  HE2 TYR A  42       3.468   3.672  -6.492  1.00  0.00           H   new
ATOM      0  HH  TYR A  42       3.172   4.867  -8.327  1.00  0.00           H   new