USER  MOD reduce.3.24.130724 H: found=0, std=0, add=193, rem=0, adj=7
USER  MOD reduce.3.24.130724 removed 190 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  15 CYS SG  :   rot  164:sc=   -0.65
USER  MOD Set 1.2: A  18 CYS SG  :   rot  -59:sc=  -0.269
USER  MOD Set 1.3: A  31 HIS     :     no HD1:sc=   -3.43  K(o=-7.9,f=-10)
USER  MOD Set 1.4: A  35 HIS     :     no HD1:sc=   -3.55  X(o=-7.9,f=-7.5)
USER  MOD Single : A  13 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  16 THR OG1 :   rot  -51:sc=    1.06
USER  MOD Single : A  20 LYS NZ  :NH3+   -151:sc=   0.391   (180deg=-0.00643)
USER  MOD Single : A  23 THR OG1 :   rot  180:sc=  -0.243
USER  MOD Single : A  26 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  27 ASN     :      amide:sc=   -0.12  K(o=-0.12,f=-1.3)
USER  MOD Single : A  30 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  32 GLN     :      amide:sc=  -0.049  X(o=-0.049,f=-0.33)
USER  MOD Single : A  33 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD -----------------------------------------------------------------
ATOM    140  N   TYR A  13      -7.207  -1.207  -0.010  1.00  0.00           N
ATOM    141  CA  TYR A  13      -6.018  -0.401  -0.261  1.00  0.00           C
ATOM    142  C   TYR A  13      -4.752  -1.168   0.110  1.00  0.00           C
ATOM    143  O   TYR A  13      -4.684  -1.803   1.163  1.00  0.00           O
ATOM    144  CB  TYR A  13      -6.086   0.906   0.531  1.00  0.00           C
ATOM    145  CG  TYR A  13      -7.470   1.515   0.576  1.00  0.00           C
ATOM    146  CD1 TYR A  13      -7.963   2.247  -0.497  1.00  0.00           C
ATOM    147  CD2 TYR A  13      -8.283   1.358   1.691  1.00  0.00           C
ATOM    148  CE1 TYR A  13      -9.226   2.806  -0.460  1.00  0.00           C
ATOM    149  CE2 TYR A  13      -9.548   1.912   1.737  1.00  0.00           C
ATOM    150  CZ  TYR A  13     -10.014   2.635   0.659  1.00  0.00           C
ATOM    151  OH  TYR A  13     -11.273   3.190   0.700  1.00  0.00           O
ATOM      0  HA  TYR A  13      -5.984  -0.172  -1.326  1.00  0.00           H   new
ATOM      0  HB2 TYR A  13      -5.746   0.722   1.550  1.00  0.00           H   new
ATOM      0  HB3 TYR A  13      -5.396   1.625   0.090  1.00  0.00           H   new
ATOM      0  HD1 TYR A  13      -7.349   2.381  -1.375  1.00  0.00           H   new
ATOM      0  HD2 TYR A  13      -7.920   0.793   2.537  1.00  0.00           H   new
ATOM      0  HE1 TYR A  13      -9.594   3.373  -1.302  1.00  0.00           H   new
ATOM      0  HE2 TYR A  13     -10.168   1.780   2.611  1.00  0.00           H   new
ATOM      0  HH  TYR A  13     -11.697   2.976   1.557  1.00  0.00           H   new
ATOM    161  N   ILE A  14      -3.752  -1.103  -0.762  1.00  0.00           N
ATOM    162  CA  ILE A  14      -2.487  -1.788  -0.527  1.00  0.00           C
ATOM    163  C   ILE A  14      -1.326  -1.032  -1.162  1.00  0.00           C
ATOM    164  O   ILE A  14      -1.331  -0.757  -2.363  1.00  0.00           O
ATOM    165  CB  ILE A  14      -2.515  -3.225  -1.081  1.00  0.00           C
ATOM    166  CG1 ILE A  14      -3.649  -4.023  -0.435  1.00  0.00           C
ATOM    167  CG2 ILE A  14      -1.177  -3.909  -0.844  1.00  0.00           C
ATOM    168  CD1 ILE A  14      -5.013  -3.706  -1.008  1.00  0.00           C
ATOM      0  H   ILE A  14      -3.793  -0.583  -1.638  1.00  0.00           H   new
ATOM      0  HA  ILE A  14      -2.344  -1.826   0.553  1.00  0.00           H   new
ATOM      0  HB  ILE A  14      -2.694  -3.181  -2.155  1.00  0.00           H   new
ATOM      0 HG12 ILE A  14      -3.450  -5.087  -0.559  1.00  0.00           H   new
ATOM      0 HG13 ILE A  14      -3.659  -3.823   0.637  1.00  0.00           H   new
ATOM      0 HG21 ILE A  14      -1.212  -4.924  -1.241  1.00  0.00           H   new
ATOM      0 HG22 ILE A  14      -0.388  -3.350  -1.347  1.00  0.00           H   new
ATOM      0 HG23 ILE A  14      -0.971  -3.945   0.226  1.00  0.00           H   new
ATOM      0 HD11 ILE A  14      -5.769  -4.308  -0.503  1.00  0.00           H   new
ATOM      0 HD12 ILE A  14      -5.233  -2.649  -0.860  1.00  0.00           H   new
ATOM      0 HD13 ILE A  14      -5.021  -3.933  -2.074  1.00  0.00           H   new
ATOM    180  N   CYS A  15      -0.328  -0.700  -0.349  1.00  0.00           N
ATOM    181  CA  CYS A  15       0.842   0.023  -0.831  1.00  0.00           C
ATOM    182  C   CYS A  15       1.510  -0.726  -1.980  1.00  0.00           C
ATOM    183  O   CYS A  15       1.982  -1.851  -1.812  1.00  0.00           O
ATOM    184  CB  CYS A  15       1.843   0.231   0.308  1.00  0.00           C
ATOM    185  SG  CYS A  15       3.235   1.328  -0.116  1.00  0.00           S
ATOM      0  H   CYS A  15      -0.307  -0.921   0.647  1.00  0.00           H   new
ATOM      0  HA  CYS A  15       0.512   0.995  -1.198  1.00  0.00           H   new
ATOM      0  HB2 CYS A  15       1.317   0.645   1.168  1.00  0.00           H   new
ATOM      0  HB3 CYS A  15       2.238  -0.738   0.612  1.00  0.00           H   new
ATOM      0  HG  CYS A  15       3.831   1.714   0.973  1.00  0.00           H   new
ATOM    190  N   THR A  16       1.548  -0.094  -3.149  1.00  0.00           N
ATOM    191  CA  THR A  16       2.156  -0.700  -4.326  1.00  0.00           C
ATOM    192  C   THR A  16       3.650  -0.401  -4.389  1.00  0.00           C
ATOM    193  O   THR A  16       4.234  -0.328  -5.470  1.00  0.00           O
ATOM    194  CB  THR A  16       1.490  -0.203  -5.623  1.00  0.00           C
ATOM    195  OG1 THR A  16       2.049  -0.881  -6.753  1.00  0.00           O
ATOM    196  CG2 THR A  16       1.674   1.299  -5.784  1.00  0.00           C
ATOM      0  H   THR A  16       1.164   0.838  -3.305  1.00  0.00           H   new
ATOM      0  HA  THR A  16       2.006  -1.776  -4.239  1.00  0.00           H   new
ATOM      0  HB  THR A  16       0.423  -0.419  -5.563  1.00  0.00           H   new
ATOM      0  HG1 THR A  16       3.027  -0.824  -6.718  1.00  0.00           H   new
ATOM      0 HG21 THR A  16       1.196   1.627  -6.707  1.00  0.00           H   new
ATOM      0 HG22 THR A  16       1.221   1.814  -4.937  1.00  0.00           H   new
ATOM      0 HG23 THR A  16       2.738   1.533  -5.824  1.00  0.00           H   new
ATOM    204  N   VAL A  17       4.264  -0.228  -3.223  1.00  0.00           N
ATOM    205  CA  VAL A  17       5.690   0.062  -3.145  1.00  0.00           C
ATOM    206  C   VAL A  17       6.422  -0.995  -2.327  1.00  0.00           C
ATOM    207  O   VAL A  17       7.454  -1.518  -2.749  1.00  0.00           O
ATOM    208  CB  VAL A  17       5.949   1.447  -2.522  1.00  0.00           C
ATOM    209  CG1 VAL A  17       7.442   1.706  -2.396  1.00  0.00           C
ATOM    210  CG2 VAL A  17       5.278   2.535  -3.347  1.00  0.00           C
ATOM      0  H   VAL A  17       3.795  -0.284  -2.319  1.00  0.00           H   new
ATOM      0  HA  VAL A  17       6.070   0.055  -4.167  1.00  0.00           H   new
ATOM      0  HB  VAL A  17       5.517   1.463  -1.521  1.00  0.00           H   new
ATOM      0 HG11 VAL A  17       7.605   2.689  -1.954  1.00  0.00           H   new
ATOM      0 HG12 VAL A  17       7.891   0.943  -1.760  1.00  0.00           H   new
ATOM      0 HG13 VAL A  17       7.902   1.672  -3.384  1.00  0.00           H   new
ATOM      0 HG21 VAL A  17       5.471   3.507  -2.893  1.00  0.00           H   new
ATOM      0 HG22 VAL A  17       5.678   2.522  -4.361  1.00  0.00           H   new
ATOM      0 HG23 VAL A  17       4.203   2.356  -3.379  1.00  0.00           H   new
ATOM    220  N   CYS A  18       5.882  -1.307  -1.154  1.00  0.00           N
ATOM    221  CA  CYS A  18       6.483  -2.303  -0.275  1.00  0.00           C
ATOM    222  C   CYS A  18       5.612  -3.553  -0.194  1.00  0.00           C
ATOM    223  O   CYS A  18       6.118  -4.674  -0.169  1.00  0.00           O
ATOM    224  CB  CYS A  18       6.689  -1.720   1.125  1.00  0.00           C
ATOM    225  SG  CYS A  18       5.142  -1.287   1.985  1.00  0.00           S
ATOM      0  H   CYS A  18       5.028  -0.884  -0.790  1.00  0.00           H   new
ATOM      0  HA  CYS A  18       7.451  -2.582  -0.691  1.00  0.00           H   new
ATOM      0  HB2 CYS A  18       7.239  -2.441   1.730  1.00  0.00           H   new
ATOM      0  HB3 CYS A  18       7.311  -0.828   1.048  1.00  0.00           H   new
ATOM      0  HG  CYS A  18       4.490  -0.405   1.287  1.00  0.00           H   new
ATOM    230  N   GLY A  19       4.298  -3.351  -0.154  1.00  0.00           N
ATOM    231  CA  GLY A  19       3.378  -4.471  -0.077  1.00  0.00           C
ATOM    232  C   GLY A  19       2.615  -4.505   1.233  1.00  0.00           C
ATOM    233  O   GLY A  19       2.365  -5.575   1.787  1.00  0.00           O
ATOM      0  H   GLY A  19       3.855  -2.433  -0.174  1.00  0.00           H   new
ATOM      0  HA2 GLY A  19       2.671  -4.414  -0.905  1.00  0.00           H   new
ATOM      0  HA3 GLY A  19       3.933  -5.402  -0.195  1.00  0.00           H   new
ATOM    237  N   LYS A  20       2.244  -3.330   1.730  1.00  0.00           N
ATOM    238  CA  LYS A  20       1.505  -3.228   2.983  1.00  0.00           C
ATOM    239  C   LYS A  20       0.026  -2.963   2.723  1.00  0.00           C
ATOM    240  O   LYS A  20      -0.347  -2.461   1.663  1.00  0.00           O
ATOM    241  CB  LYS A  20       2.089  -2.112   3.853  1.00  0.00           C
ATOM    242  CG  LYS A  20       1.718  -2.229   5.322  1.00  0.00           C
ATOM    243  CD  LYS A  20       2.633  -1.389   6.197  1.00  0.00           C
ATOM    244  CE  LYS A  20       2.366  -1.630   7.675  1.00  0.00           C
ATOM    245  NZ  LYS A  20       0.973  -1.268   8.053  1.00  0.00           N
ATOM      0  H   LYS A  20       2.443  -2.435   1.284  1.00  0.00           H   new
ATOM      0  HA  LYS A  20       1.598  -4.178   3.509  1.00  0.00           H   new
ATOM      0  HB2 LYS A  20       3.175  -2.120   3.759  1.00  0.00           H   new
ATOM      0  HB3 LYS A  20       1.744  -1.150   3.475  1.00  0.00           H   new
ATOM      0  HG2 LYS A  20       0.685  -1.911   5.464  1.00  0.00           H   new
ATOM      0  HG3 LYS A  20       1.775  -3.273   5.631  1.00  0.00           H   new
ATOM      0  HD2 LYS A  20       3.673  -1.626   5.971  1.00  0.00           H   new
ATOM      0  HD3 LYS A  20       2.489  -0.333   5.968  1.00  0.00           H   new
ATOM      0  HE2 LYS A  20       2.545  -2.679   7.910  1.00  0.00           H   new
ATOM      0  HE3 LYS A  20       3.067  -1.046   8.271  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  20       0.950  -0.971   9.049  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  20       0.642  -0.487   7.451  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  20       0.353  -2.093   7.923  1.00  0.00           H   new
ATOM    259  N   ALA A  21      -0.812  -3.303   3.697  1.00  0.00           N
ATOM    260  CA  ALA A  21      -2.250  -3.098   3.573  1.00  0.00           C
ATOM    261  C   ALA A  21      -2.750  -2.086   4.599  1.00  0.00           C
ATOM    262  O   ALA A  21      -2.105  -1.853   5.621  1.00  0.00           O
ATOM    263  CB  ALA A  21      -2.986  -4.420   3.730  1.00  0.00           C
ATOM      0  H   ALA A  21      -0.520  -3.721   4.580  1.00  0.00           H   new
ATOM      0  HA  ALA A  21      -2.452  -2.698   2.579  1.00  0.00           H   new
ATOM      0  HB1 ALA A  21      -4.059  -4.253   3.635  1.00  0.00           H   new
ATOM      0  HB2 ALA A  21      -2.657  -5.114   2.956  1.00  0.00           H   new
ATOM      0  HB3 ALA A  21      -2.770  -4.842   4.711  1.00  0.00           H   new
ATOM    269  N   PHE A  22      -3.903  -1.488   4.319  1.00  0.00           N
ATOM    270  CA  PHE A  22      -4.489  -0.500   5.217  1.00  0.00           C
ATOM    271  C   PHE A  22      -6.010  -0.481   5.087  1.00  0.00           C
ATOM    272  O   PHE A  22      -6.552  -0.581   3.986  1.00  0.00           O
ATOM    273  CB  PHE A  22      -3.923   0.890   4.919  1.00  0.00           C
ATOM    274  CG  PHE A  22      -2.460   1.021   5.229  1.00  0.00           C
ATOM    275  CD1 PHE A  22      -1.505   0.642   4.299  1.00  0.00           C
ATOM    276  CD2 PHE A  22      -2.039   1.523   6.450  1.00  0.00           C
ATOM    277  CE1 PHE A  22      -0.157   0.760   4.583  1.00  0.00           C
ATOM    278  CE2 PHE A  22      -0.693   1.644   6.739  1.00  0.00           C
ATOM    279  CZ  PHE A  22       0.249   1.263   5.803  1.00  0.00           C
ATOM      0  H   PHE A  22      -4.450  -1.670   3.478  1.00  0.00           H   new
ATOM      0  HA  PHE A  22      -4.233  -0.778   6.239  1.00  0.00           H   new
ATOM      0  HB2 PHE A  22      -4.085   1.121   3.866  1.00  0.00           H   new
ATOM      0  HB3 PHE A  22      -4.476   1.630   5.497  1.00  0.00           H   new
ATOM      0  HD1 PHE A  22      -1.817   0.250   3.342  1.00  0.00           H   new
ATOM      0  HD2 PHE A  22      -2.772   1.823   7.185  1.00  0.00           H   new
ATOM      0  HE1 PHE A  22       0.578   0.459   3.851  1.00  0.00           H   new
ATOM      0  HE2 PHE A  22      -0.378   2.036   7.695  1.00  0.00           H   new
ATOM      0  HZ  PHE A  22       1.302   1.358   6.025  1.00  0.00           H   new
ATOM    289  N   THR A  23      -6.693  -0.352   6.220  1.00  0.00           N
ATOM    290  CA  THR A  23      -8.150  -0.322   6.235  1.00  0.00           C
ATOM    291  C   THR A  23      -8.684   0.834   5.398  1.00  0.00           C
ATOM    292  O   THR A  23      -9.469   0.632   4.471  1.00  0.00           O
ATOM    293  CB  THR A  23      -8.695  -0.197   7.670  1.00  0.00           C
ATOM    294  OG1 THR A  23      -8.240   1.025   8.262  1.00  0.00           O
ATOM    295  CG2 THR A  23      -8.249  -1.376   8.523  1.00  0.00           C
ATOM      0  H   THR A  23      -6.260  -0.267   7.140  1.00  0.00           H   new
ATOM      0  HA  THR A  23      -8.490  -1.265   5.807  1.00  0.00           H   new
ATOM      0  HB  THR A  23      -9.784  -0.194   7.623  1.00  0.00           H   new
ATOM      0  HG1 THR A  23      -8.592   1.098   9.174  1.00  0.00           H   new
ATOM      0 HG21 THR A  23      -8.646  -1.266   9.532  1.00  0.00           H   new
ATOM      0 HG22 THR A  23      -8.621  -2.303   8.086  1.00  0.00           H   new
ATOM      0 HG23 THR A  23      -7.160  -1.405   8.563  1.00  0.00           H   new
ATOM    303  N   ASP A  24      -8.254   2.047   5.729  1.00  0.00           N
ATOM    304  CA  ASP A  24      -8.688   3.236   5.006  1.00  0.00           C
ATOM    305  C   ASP A  24      -7.658   3.640   3.956  1.00  0.00           C
ATOM    306  O   ASP A  24      -6.544   3.116   3.931  1.00  0.00           O
ATOM    307  CB  ASP A  24      -8.923   4.393   5.979  1.00  0.00           C
ATOM    308  CG  ASP A  24     -10.145   4.177   6.850  1.00  0.00           C
ATOM    309  OD1 ASP A  24     -11.129   3.588   6.356  1.00  0.00           O
ATOM    310  OD2 ASP A  24     -10.118   4.599   8.026  1.00  0.00           O
ATOM      0  H   ASP A  24      -7.605   2.232   6.494  1.00  0.00           H   new
ATOM      0  HA  ASP A  24      -9.624   3.001   4.499  1.00  0.00           H   new
ATOM      0  HB2 ASP A  24      -8.045   4.515   6.613  1.00  0.00           H   new
ATOM      0  HB3 ASP A  24      -9.040   5.319   5.416  1.00  0.00           H   new
ATOM    315  N   ARG A  25      -8.038   4.574   3.090  1.00  0.00           N
ATOM    316  CA  ARG A  25      -7.149   5.046   2.036  1.00  0.00           C
ATOM    317  C   ARG A  25      -6.146   6.058   2.584  1.00  0.00           C
ATOM    318  O   ARG A  25      -4.949   5.971   2.309  1.00  0.00           O
ATOM    319  CB  ARG A  25      -7.957   5.677   0.901  1.00  0.00           C
ATOM    320  CG  ARG A  25      -7.110   6.455  -0.091  1.00  0.00           C
ATOM    321  CD  ARG A  25      -6.289   5.527  -0.972  1.00  0.00           C
ATOM    322  NE  ARG A  25      -7.113   4.847  -1.968  1.00  0.00           N
ATOM    323  CZ  ARG A  25      -6.627   4.311  -3.082  1.00  0.00           C
ATOM    324  NH1 ARG A  25      -5.328   4.375  -3.341  1.00  0.00           N
ATOM    325  NH2 ARG A  25      -7.440   3.709  -3.940  1.00  0.00           N
ATOM      0  H   ARG A  25      -8.956   5.019   3.098  1.00  0.00           H   new
ATOM      0  HA  ARG A  25      -6.600   4.188   1.648  1.00  0.00           H   new
ATOM      0  HB2 ARG A  25      -8.495   4.892   0.369  1.00  0.00           H   new
ATOM      0  HB3 ARG A  25      -8.706   6.344   1.327  1.00  0.00           H   new
ATOM      0  HG2 ARG A  25      -7.755   7.074  -0.715  1.00  0.00           H   new
ATOM      0  HG3 ARG A  25      -6.445   7.130   0.448  1.00  0.00           H   new
ATOM      0  HD2 ARG A  25      -5.510   6.100  -1.476  1.00  0.00           H   new
ATOM      0  HD3 ARG A  25      -5.787   4.786  -0.350  1.00  0.00           H   new
ATOM      0  HE  ARG A  25      -8.117   4.780  -1.799  1.00  0.00           H   new
ATOM      0 HH11 ARG A  25      -4.699   4.837  -2.684  1.00  0.00           H   new
ATOM      0 HH12 ARG A  25      -4.958   3.962  -4.197  1.00  0.00           H   new
ATOM      0 HH21 ARG A  25      -8.440   3.657  -3.745  1.00  0.00           H   new
ATOM      0 HH22 ARG A  25      -7.065   3.298  -4.795  1.00  0.00           H   new
ATOM    339  N   SER A  26      -6.643   7.016   3.358  1.00  0.00           N
ATOM    340  CA  SER A  26      -5.792   8.047   3.941  1.00  0.00           C
ATOM    341  C   SER A  26      -4.606   7.424   4.670  1.00  0.00           C
ATOM    342  O   SER A  26      -3.479   7.907   4.570  1.00  0.00           O
ATOM    343  CB  SER A  26      -6.598   8.918   4.906  1.00  0.00           C
ATOM    344  OG  SER A  26      -7.602   9.646   4.220  1.00  0.00           O
ATOM      0  H   SER A  26      -7.631   7.100   3.597  1.00  0.00           H   new
ATOM      0  HA  SER A  26      -5.412   8.670   3.131  1.00  0.00           H   new
ATOM      0  HB2 SER A  26      -7.057   8.291   5.670  1.00  0.00           H   new
ATOM      0  HB3 SER A  26      -5.931   9.609   5.420  1.00  0.00           H   new
ATOM      0  HG  SER A  26      -8.104  10.193   4.860  1.00  0.00           H   new
ATOM    350  N   ASN A  27      -4.869   6.347   5.403  1.00  0.00           N
ATOM    351  CA  ASN A  27      -3.824   5.657   6.150  1.00  0.00           C
ATOM    352  C   ASN A  27      -2.760   5.100   5.209  1.00  0.00           C
ATOM    353  O   ASN A  27      -1.590   4.984   5.577  1.00  0.00           O
ATOM    354  CB  ASN A  27      -4.427   4.524   6.983  1.00  0.00           C
ATOM    355  CG  ASN A  27      -5.045   5.022   8.275  1.00  0.00           C
ATOM    356  OD1 ASN A  27      -4.466   5.856   8.972  1.00  0.00           O
ATOM    357  ND2 ASN A  27      -6.227   4.511   8.601  1.00  0.00           N
ATOM      0  H   ASN A  27      -5.797   5.933   5.496  1.00  0.00           H   new
ATOM      0  HA  ASN A  27      -3.352   6.379   6.817  1.00  0.00           H   new
ATOM      0  HB2 ASN A  27      -5.187   4.009   6.395  1.00  0.00           H   new
ATOM      0  HB3 ASN A  27      -3.652   3.793   7.212  1.00  0.00           H   new
ATOM      0 HD21 ASN A  27      -6.692   4.808   9.459  1.00  0.00           H   new
ATOM      0 HD22 ASN A  27      -6.670   3.822   7.993  1.00  0.00           H   new
ATOM    364  N   LEU A  28      -3.173   4.759   3.994  1.00  0.00           N
ATOM    365  CA  LEU A  28      -2.256   4.215   2.998  1.00  0.00           C
ATOM    366  C   LEU A  28      -1.367   5.312   2.420  1.00  0.00           C
ATOM    367  O   LEU A  28      -0.188   5.088   2.146  1.00  0.00           O
ATOM    368  CB  LEU A  28      -3.038   3.531   1.876  1.00  0.00           C
ATOM    369  CG  LEU A  28      -2.219   3.083   0.664  1.00  0.00           C
ATOM    370  CD1 LEU A  28      -1.153   2.081   1.081  1.00  0.00           C
ATOM    371  CD2 LEU A  28      -3.127   2.486  -0.402  1.00  0.00           C
ATOM      0  H   LEU A  28      -4.137   4.849   3.674  1.00  0.00           H   new
ATOM      0  HA  LEU A  28      -1.620   3.479   3.489  1.00  0.00           H   new
ATOM      0  HB2 LEU A  28      -3.542   2.658   2.291  1.00  0.00           H   new
ATOM      0  HB3 LEU A  28      -3.814   4.214   1.532  1.00  0.00           H   new
ATOM      0  HG  LEU A  28      -1.722   3.957   0.242  1.00  0.00           H   new
ATOM      0 HD11 LEU A  28      -0.580   1.774   0.206  1.00  0.00           H   new
ATOM      0 HD12 LEU A  28      -0.485   2.542   1.808  1.00  0.00           H   new
ATOM      0 HD13 LEU A  28      -1.629   1.208   1.528  1.00  0.00           H   new
ATOM      0 HD21 LEU A  28      -2.528   2.173  -1.257  1.00  0.00           H   new
ATOM      0 HD22 LEU A  28      -3.652   1.623   0.009  1.00  0.00           H   new
ATOM      0 HD23 LEU A  28      -3.853   3.234  -0.722  1.00  0.00           H   new
ATOM    383  N   ILE A  29      -1.941   6.496   2.238  1.00  0.00           N
ATOM    384  CA  ILE A  29      -1.200   7.628   1.696  1.00  0.00           C
ATOM    385  C   ILE A  29      -0.187   8.157   2.705  1.00  0.00           C
ATOM    386  O   ILE A  29       0.929   8.530   2.345  1.00  0.00           O
ATOM    387  CB  ILE A  29      -2.144   8.774   1.284  1.00  0.00           C
ATOM    388  CG1 ILE A  29      -3.270   8.241   0.395  1.00  0.00           C
ATOM    389  CG2 ILE A  29      -1.368   9.868   0.567  1.00  0.00           C
ATOM    390  CD1 ILE A  29      -4.387   9.237   0.174  1.00  0.00           C
ATOM      0  H   ILE A  29      -2.917   6.696   2.458  1.00  0.00           H   new
ATOM      0  HA  ILE A  29      -0.674   7.266   0.813  1.00  0.00           H   new
ATOM      0  HB  ILE A  29      -2.588   9.201   2.183  1.00  0.00           H   new
ATOM      0 HG12 ILE A  29      -2.854   7.953  -0.571  1.00  0.00           H   new
ATOM      0 HG13 ILE A  29      -3.682   7.339   0.846  1.00  0.00           H   new
ATOM      0 HG21 ILE A  29      -2.049  10.670   0.282  1.00  0.00           H   new
ATOM      0 HG22 ILE A  29      -0.599  10.263   1.231  1.00  0.00           H   new
ATOM      0 HG23 ILE A  29      -0.899   9.456  -0.327  1.00  0.00           H   new
ATOM      0 HD11 ILE A  29      -5.150   8.792  -0.465  1.00  0.00           H   new
ATOM      0 HD12 ILE A  29      -4.829   9.507   1.133  1.00  0.00           H   new
ATOM      0 HD13 ILE A  29      -3.988  10.131  -0.306  1.00  0.00           H   new
ATOM    402  N   LYS A  30      -0.584   8.186   3.973  1.00  0.00           N
ATOM    403  CA  LYS A  30       0.290   8.666   5.038  1.00  0.00           C
ATOM    404  C   LYS A  30       1.411   7.669   5.313  1.00  0.00           C
ATOM    405  O   LYS A  30       2.373   7.979   6.016  1.00  0.00           O
ATOM    406  CB  LYS A  30      -0.516   8.908   6.316  1.00  0.00           C
ATOM    407  CG  LYS A  30      -0.645   7.678   7.197  1.00  0.00           C
ATOM    408  CD  LYS A  30      -1.477   7.963   8.436  1.00  0.00           C
ATOM    409  CE  LYS A  30      -0.654   8.651   9.514  1.00  0.00           C
ATOM    410  NZ  LYS A  30      -1.508   9.172  10.616  1.00  0.00           N
ATOM      0  H   LYS A  30      -1.505   7.883   4.288  1.00  0.00           H   new
ATOM      0  HA  LYS A  30       0.736   9.606   4.713  1.00  0.00           H   new
ATOM      0  HB2 LYS A  30      -0.043   9.706   6.888  1.00  0.00           H   new
ATOM      0  HB3 LYS A  30      -1.513   9.257   6.046  1.00  0.00           H   new
ATOM      0  HG2 LYS A  30      -1.103   6.869   6.628  1.00  0.00           H   new
ATOM      0  HG3 LYS A  30       0.347   7.337   7.494  1.00  0.00           H   new
ATOM      0  HD2 LYS A  30      -2.326   8.592   8.168  1.00  0.00           H   new
ATOM      0  HD3 LYS A  30      -1.882   7.029   8.826  1.00  0.00           H   new
ATOM      0  HE2 LYS A  30       0.073   7.948   9.920  1.00  0.00           H   new
ATOM      0  HE3 LYS A  30      -0.091   9.473   9.072  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  30      -0.910   9.634  11.330  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  30      -2.186   9.862  10.234  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  30      -2.027   8.385  11.055  1.00  0.00           H   new
ATOM    424  N   HIS A  31       1.281   6.470   4.753  1.00  0.00           N
ATOM    425  CA  HIS A  31       2.285   5.428   4.936  1.00  0.00           C
ATOM    426  C   HIS A  31       3.299   5.443   3.796  1.00  0.00           C
ATOM    427  O   HIS A  31       4.472   5.128   3.992  1.00  0.00           O
ATOM    428  CB  HIS A  31       1.617   4.056   5.022  1.00  0.00           C
ATOM    429  CG  HIS A  31       2.501   2.930   4.579  1.00  0.00           C
ATOM    430  ND1 HIS A  31       3.371   2.279   5.427  1.00  0.00           N
ATOM    431  CD2 HIS A  31       2.643   2.340   3.370  1.00  0.00           C
ATOM    432  CE1 HIS A  31       4.013   1.338   4.758  1.00  0.00           C
ATOM    433  NE2 HIS A  31       3.589   1.354   3.507  1.00  0.00           N
ATOM      0  H   HIS A  31       0.491   6.196   4.169  1.00  0.00           H   new
ATOM      0  HA  HIS A  31       2.812   5.626   5.869  1.00  0.00           H   new
ATOM      0  HB2 HIS A  31       1.303   3.878   6.051  1.00  0.00           H   new
ATOM      0  HB3 HIS A  31       0.715   4.061   4.410  1.00  0.00           H   new
ATOM      0  HD2 HIS A  31       2.111   2.597   2.466  1.00  0.00           H   new
ATOM      0  HE1 HIS A  31       4.758   0.670   5.165  1.00  0.00           H   new
ATOM      0  HE2 HIS A  31       3.912   0.735   2.764  1.00  0.00           H   new
ATOM    441  N   GLN A  32       2.837   5.810   2.605  1.00  0.00           N
ATOM    442  CA  GLN A  32       3.703   5.865   1.433  1.00  0.00           C
ATOM    443  C   GLN A  32       4.815   6.890   1.626  1.00  0.00           C
ATOM    444  O   GLN A  32       5.797   6.905   0.882  1.00  0.00           O
ATOM    445  CB  GLN A  32       2.888   6.207   0.185  1.00  0.00           C
ATOM    446  CG  GLN A  32       2.119   5.025  -0.383  1.00  0.00           C
ATOM    447  CD  GLN A  32       1.498   5.326  -1.732  1.00  0.00           C
ATOM    448  OE1 GLN A  32       2.138   5.912  -2.606  1.00  0.00           O
ATOM    449  NE2 GLN A  32       0.244   4.927  -1.909  1.00  0.00           N
ATOM      0  H   GLN A  32       1.868   6.074   2.426  1.00  0.00           H   new
ATOM      0  HA  GLN A  32       4.158   4.883   1.302  1.00  0.00           H   new
ATOM      0  HB2 GLN A  32       2.185   7.004   0.427  1.00  0.00           H   new
ATOM      0  HB3 GLN A  32       3.559   6.595  -0.581  1.00  0.00           H   new
ATOM      0  HG2 GLN A  32       2.791   4.172  -0.479  1.00  0.00           H   new
ATOM      0  HG3 GLN A  32       1.335   4.736   0.317  1.00  0.00           H   new
ATOM      0 HE21 GLN A  32      -0.249   4.445  -1.157  1.00  0.00           H   new
ATOM      0 HE22 GLN A  32      -0.227   5.103  -2.797  1.00  0.00           H   new
ATOM    458  N   LYS A  33       4.656   7.748   2.628  1.00  0.00           N
ATOM    459  CA  LYS A  33       5.646   8.777   2.920  1.00  0.00           C
ATOM    460  C   LYS A  33       6.981   8.153   3.313  1.00  0.00           C
ATOM    461  O   LYS A  33       8.025   8.802   3.245  1.00  0.00           O
ATOM    462  CB  LYS A  33       5.148   9.689   4.044  1.00  0.00           C
ATOM    463  CG  LYS A  33       4.061  10.656   3.606  1.00  0.00           C
ATOM    464  CD  LYS A  33       4.647  11.885   2.932  1.00  0.00           C
ATOM    465  CE  LYS A  33       3.584  12.944   2.682  1.00  0.00           C
ATOM    466  NZ  LYS A  33       4.160  14.317   2.677  1.00  0.00           N
ATOM      0  H   LYS A  33       3.849   7.751   3.252  1.00  0.00           H   new
ATOM      0  HA  LYS A  33       5.793   9.369   2.017  1.00  0.00           H   new
ATOM      0  HB2 LYS A  33       4.768   9.073   4.859  1.00  0.00           H   new
ATOM      0  HB3 LYS A  33       5.990  10.257   4.440  1.00  0.00           H   new
ATOM      0  HG2 LYS A  33       3.380  10.153   2.919  1.00  0.00           H   new
ATOM      0  HG3 LYS A  33       3.473  10.960   4.472  1.00  0.00           H   new
ATOM      0  HD2 LYS A  33       5.437  12.302   3.556  1.00  0.00           H   new
ATOM      0  HD3 LYS A  33       5.106  11.598   1.986  1.00  0.00           H   new
ATOM      0  HE2 LYS A  33       3.097  12.751   1.726  1.00  0.00           H   new
ATOM      0  HE3 LYS A  33       2.815  12.875   3.451  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  33       3.404  15.010   2.504  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  33       4.603  14.511   3.598  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  33       4.876  14.390   1.926  1.00  0.00           H   new
ATOM    480  N   ILE A  34       6.940   6.889   3.721  1.00  0.00           N
ATOM    481  CA  ILE A  34       8.147   6.177   4.121  1.00  0.00           C
ATOM    482  C   ILE A  34       8.952   5.731   2.905  1.00  0.00           C
ATOM    483  O   ILE A  34      10.081   5.257   3.033  1.00  0.00           O
ATOM    484  CB  ILE A  34       7.814   4.943   4.982  1.00  0.00           C
ATOM    485  CG1 ILE A  34       7.334   3.791   4.097  1.00  0.00           C
ATOM    486  CG2 ILE A  34       6.762   5.293   6.023  1.00  0.00           C
ATOM    487  CD1 ILE A  34       6.998   2.535   4.869  1.00  0.00           C
ATOM      0  H   ILE A  34       6.084   6.337   3.783  1.00  0.00           H   new
ATOM      0  HA  ILE A  34       8.742   6.873   4.712  1.00  0.00           H   new
ATOM      0  HB  ILE A  34       8.718   4.625   5.501  1.00  0.00           H   new
ATOM      0 HG12 ILE A  34       6.453   4.113   3.542  1.00  0.00           H   new
ATOM      0 HG13 ILE A  34       8.107   3.561   3.363  1.00  0.00           H   new
ATOM      0 HG21 ILE A  34       6.537   4.412   6.624  1.00  0.00           H   new
ATOM      0 HG22 ILE A  34       7.139   6.086   6.669  1.00  0.00           H   new
ATOM      0 HG23 ILE A  34       5.855   5.633   5.523  1.00  0.00           H   new
ATOM      0 HD11 ILE A  34       6.665   1.761   4.177  1.00  0.00           H   new
ATOM      0 HD12 ILE A  34       7.883   2.188   5.403  1.00  0.00           H   new
ATOM      0 HD13 ILE A  34       6.204   2.749   5.584  1.00  0.00           H   new
ATOM    499  N   HIS A  35       8.363   5.889   1.723  1.00  0.00           N
ATOM    500  CA  HIS A  35       9.027   5.505   0.482  1.00  0.00           C
ATOM    501  C   HIS A  35       9.373   6.735  -0.352  1.00  0.00           C
ATOM    502  O   HIS A  35       9.531   6.649  -1.570  1.00  0.00           O
ATOM    503  CB  HIS A  35       8.135   4.562  -0.327  1.00  0.00           C
ATOM    504  CG  HIS A  35       7.601   3.413   0.472  1.00  0.00           C
ATOM    505  ND1 HIS A  35       8.410   2.468   1.067  1.00  0.00           N
ATOM    506  CD2 HIS A  35       6.329   3.060   0.773  1.00  0.00           C
ATOM    507  CE1 HIS A  35       7.659   1.583   1.698  1.00  0.00           C
ATOM    508  NE2 HIS A  35       6.392   1.920   1.536  1.00  0.00           N
ATOM      0  H   HIS A  35       7.429   6.280   1.599  1.00  0.00           H   new
ATOM      0  HA  HIS A  35       9.952   4.989   0.738  1.00  0.00           H   new
ATOM      0  HB2 HIS A  35       7.299   5.128  -0.738  1.00  0.00           H   new
ATOM      0  HB3 HIS A  35       8.703   4.174  -1.172  1.00  0.00           H   new
ATOM      0  HD2 HIS A  35       5.432   3.579   0.469  1.00  0.00           H   new
ATOM      0  HE1 HIS A  35       8.020   0.729   2.252  1.00  0.00           H   new
ATOM      0  HE2 HIS A  35       5.591   1.416   1.916  1.00  0.00           H   new