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  136:sc=   0.954
USER  MOD Set 1.2: A  23 CYS SG  :   rot  141:sc=   0.134
USER  MOD Set 1.3: A  35 CYS SG  :   rot -131:sc=   0.571
USER  MOD Set 1.4: A  38 CYS SG  :   rot  150:sc=   0.124
USER  MOD Single : A  17 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  20 LYS NZ  :NH3+   -163:sc=-0.00392   (180deg=-0.155)
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  K(o=0,f=-1.1)
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      -3.431  -8.055   0.108  1.00  0.00           N
ATOM    184  CA  LYS A  17      -2.218  -7.646   0.806  1.00  0.00           C
ATOM    185  C   LYS A  17      -1.581  -6.439   0.127  1.00  0.00           C
ATOM    186  O   LYS A  17      -1.983  -6.046  -0.969  1.00  0.00           O
ATOM    187  CB  LYS A  17      -1.219  -8.804   0.855  1.00  0.00           C
ATOM    188  CG  LYS A  17      -0.247  -8.720   2.020  1.00  0.00           C
ATOM    189  CD  LYS A  17       0.242 -10.096   2.439  1.00  0.00           C
ATOM    190  CE  LYS A  17       1.234 -10.664   1.436  1.00  0.00           C
ATOM    191  NZ  LYS A  17       1.805 -11.961   1.894  1.00  0.00           N
ATOM      0  HA  LYS A  17      -2.490  -7.366   1.824  1.00  0.00           H   new
ATOM      0  HB2 LYS A  17      -1.768  -9.744   0.918  1.00  0.00           H   new
ATOM      0  HB3 LYS A  17      -0.655  -8.826  -0.077  1.00  0.00           H   new
ATOM      0  HG2 LYS A  17       0.605  -8.100   1.740  1.00  0.00           H   new
ATOM      0  HG3 LYS A  17      -0.732  -8.232   2.865  1.00  0.00           H   new
ATOM      0  HD2 LYS A  17       0.711 -10.033   3.421  1.00  0.00           H   new
ATOM      0  HD3 LYS A  17      -0.608 -10.772   2.535  1.00  0.00           H   new
ATOM      0  HE2 LYS A  17       0.739 -10.804   0.475  1.00  0.00           H   new
ATOM      0  HE3 LYS A  17       2.040  -9.948   1.277  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  17       2.476 -12.315   1.183  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  17       2.299 -11.823   2.798  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  17       1.038 -12.652   2.021  1.00  0.00           H   new
ATOM    205  N   CYS A  18      -0.584  -5.855   0.783  1.00  0.00           N
ATOM    206  CA  CYS A  18       0.111  -4.692   0.242  1.00  0.00           C
ATOM    207  C   CYS A  18       0.744  -5.016  -1.107  1.00  0.00           C
ATOM    208  O   CYS A  18       1.315  -6.091  -1.295  1.00  0.00           O
ATOM    209  CB  CYS A  18       1.185  -4.214   1.221  1.00  0.00           C
ATOM    210  SG  CYS A  18       2.120  -2.760   0.645  1.00  0.00           S
ATOM      0  H   CYS A  18      -0.239  -6.168   1.690  1.00  0.00           H   new
ATOM      0  HA  CYS A  18      -0.620  -3.896   0.098  1.00  0.00           H   new
ATOM      0  HB2 CYS A  18       0.713  -3.975   2.174  1.00  0.00           H   new
ATOM      0  HB3 CYS A  18       1.882  -5.031   1.407  1.00  0.00           H   new
ATOM      0  HG  CYS A  18       2.255  -1.915   1.624  1.00  0.00           H   new
ATOM    215  N   ARG A  19       0.639  -4.080  -2.044  1.00  0.00           N
ATOM    216  CA  ARG A  19       1.201  -4.266  -3.377  1.00  0.00           C
ATOM    217  C   ARG A  19       2.675  -4.650  -3.297  1.00  0.00           C
ATOM    218  O   ARG A  19       3.131  -5.558  -3.994  1.00  0.00           O
ATOM    219  CB  ARG A  19       1.041  -2.989  -4.204  1.00  0.00           C
ATOM    220  CG  ARG A  19      -0.372  -2.773  -4.723  1.00  0.00           C
ATOM    221  CD  ARG A  19      -0.623  -3.560  -5.999  1.00  0.00           C
ATOM    222  NE  ARG A  19       0.304  -3.187  -7.064  1.00  0.00           N
ATOM    223  CZ  ARG A  19       0.487  -3.907  -8.165  1.00  0.00           C
ATOM    224  NH1 ARG A  19      -0.191  -5.032  -8.346  1.00  0.00           N
ATOM    225  NH2 ARG A  19       1.348  -3.501  -9.089  1.00  0.00           N
ATOM      0  H   ARG A  19       0.170  -3.185  -1.905  1.00  0.00           H   new
ATOM      0  HA  ARG A  19       0.658  -5.076  -3.863  1.00  0.00           H   new
ATOM      0  HB2 ARG A  19       1.330  -2.133  -3.595  1.00  0.00           H   new
ATOM      0  HB3 ARG A  19       1.728  -3.025  -5.049  1.00  0.00           H   new
ATOM      0  HG2 ARG A  19      -1.091  -3.074  -3.961  1.00  0.00           H   new
ATOM      0  HG3 ARG A  19      -0.533  -1.712  -4.911  1.00  0.00           H   new
ATOM      0  HD2 ARG A  19      -0.527  -4.626  -5.792  1.00  0.00           H   new
ATOM      0  HD3 ARG A  19      -1.646  -3.391  -6.334  1.00  0.00           H   new
ATOM      0  HE  ARG A  19       0.840  -2.326  -6.956  1.00  0.00           H   new
ATOM      0 HH11 ARG A  19      -0.855  -5.347  -7.639  1.00  0.00           H   new
ATOM      0 HH12 ARG A  19      -0.048  -5.583  -9.193  1.00  0.00           H   new
ATOM      0 HH21 ARG A  19       1.870  -2.635  -8.954  1.00  0.00           H   new
ATOM      0 HH22 ARG A  19       1.488  -4.055  -9.934  1.00  0.00           H   new
ATOM    239  N   LYS A  20       3.418  -3.954  -2.443  1.00  0.00           N
ATOM    240  CA  LYS A  20       4.840  -4.222  -2.269  1.00  0.00           C
ATOM    241  C   LYS A  20       5.086  -5.701  -1.991  1.00  0.00           C
ATOM    242  O   LYS A  20       4.287  -6.357  -1.322  1.00  0.00           O
ATOM    243  CB  LYS A  20       5.404  -3.376  -1.125  1.00  0.00           C
ATOM    244  CG  LYS A  20       6.900  -3.545  -0.924  1.00  0.00           C
ATOM    245  CD  LYS A  20       7.535  -2.280  -0.372  1.00  0.00           C
ATOM    246  CE  LYS A  20       7.820  -1.272  -1.476  1.00  0.00           C
ATOM    247  NZ  LYS A  20       8.962  -1.695  -2.332  1.00  0.00           N
ATOM      0  H   LYS A  20       3.058  -3.199  -1.860  1.00  0.00           H   new
ATOM      0  HA  LYS A  20       5.349  -3.955  -3.195  1.00  0.00           H   new
ATOM      0  HB2 LYS A  20       5.189  -2.326  -1.321  1.00  0.00           H   new
ATOM      0  HB3 LYS A  20       4.890  -3.640  -0.201  1.00  0.00           H   new
ATOM      0  HG2 LYS A  20       7.085  -4.374  -0.241  1.00  0.00           H   new
ATOM      0  HG3 LYS A  20       7.369  -3.804  -1.873  1.00  0.00           H   new
ATOM      0  HD2 LYS A  20       6.872  -1.832   0.369  1.00  0.00           H   new
ATOM      0  HD3 LYS A  20       8.463  -2.531   0.141  1.00  0.00           H   new
ATOM      0  HE2 LYS A  20       6.930  -1.148  -2.093  1.00  0.00           H   new
ATOM      0  HE3 LYS A  20       8.039  -0.300  -1.033  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  20       9.310  -0.879  -2.875  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  20       9.727  -2.064  -1.732  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  20       8.647  -2.438  -2.988  1.00  0.00           H   new
ATOM    261  N   ALA A  21       6.195  -6.220  -2.507  1.00  0.00           N
ATOM    262  CA  ALA A  21       6.546  -7.621  -2.310  1.00  0.00           C
ATOM    263  C   ALA A  21       7.093  -7.858  -0.906  1.00  0.00           C
ATOM    264  O   ALA A  21       6.646  -8.761  -0.200  1.00  0.00           O
ATOM    265  CB  ALA A  21       7.561  -8.063  -3.355  1.00  0.00           C
ATOM      0  H   ALA A  21       6.866  -5.691  -3.065  1.00  0.00           H   new
ATOM      0  HA  ALA A  21       5.640  -8.216  -2.424  1.00  0.00           H   new
ATOM      0  HB1 ALA A  21       7.814  -9.111  -3.196  1.00  0.00           H   new
ATOM      0  HB2 ALA A  21       7.135  -7.940  -4.351  1.00  0.00           H   new
ATOM      0  HB3 ALA A  21       8.461  -7.455  -3.268  1.00  0.00           H   new
ATOM    271  N   GLY A  22       8.063  -7.042  -0.508  1.00  0.00           N
ATOM    272  CA  GLY A  22       8.655  -7.180   0.810  1.00  0.00           C
ATOM    273  C   GLY A  22       7.817  -6.529   1.893  1.00  0.00           C
ATOM    274  O   GLY A  22       8.342  -5.816   2.749  1.00  0.00           O
ATOM      0  H   GLY A  22       8.450  -6.287  -1.075  1.00  0.00           H   new
ATOM      0  HA2 GLY A  22       8.781  -8.238   1.039  1.00  0.00           H   new
ATOM      0  HA3 GLY A  22       9.649  -6.734   0.807  1.00  0.00           H   new
ATOM    278  N   CYS A  23       6.512  -6.772   1.855  1.00  0.00           N
ATOM    279  CA  CYS A  23       5.599  -6.203   2.839  1.00  0.00           C
ATOM    280  C   CYS A  23       4.586  -7.245   3.308  1.00  0.00           C
ATOM    281  O   CYS A  23       3.755  -7.712   2.529  1.00  0.00           O
ATOM    282  CB  CYS A  23       4.868  -4.995   2.249  1.00  0.00           C
ATOM    283  SG  CYS A  23       4.162  -3.871   3.497  1.00  0.00           S
ATOM      0  H   CYS A  23       6.062  -7.360   1.153  1.00  0.00           H   new
ATOM      0  HA  CYS A  23       6.186  -5.880   3.698  1.00  0.00           H   new
ATOM      0  HB2 CYS A  23       5.562  -4.435   1.622  1.00  0.00           H   new
ATOM      0  HB3 CYS A  23       4.067  -5.350   1.600  1.00  0.00           H   new
ATOM      0  HG  CYS A  23       4.322  -2.640   3.112  1.00  0.00           H   new
ATOM    288  N   VAL A  24       4.662  -7.603   4.585  1.00  0.00           N
ATOM    289  CA  VAL A  24       3.753  -8.587   5.159  1.00  0.00           C
ATOM    290  C   VAL A  24       2.389  -7.971   5.451  1.00  0.00           C
ATOM    291  O   VAL A  24       1.361  -8.642   5.360  1.00  0.00           O
ATOM    292  CB  VAL A  24       4.322  -9.187   6.459  1.00  0.00           C
ATOM    293  CG1 VAL A  24       5.563 -10.016   6.166  1.00  0.00           C
ATOM    294  CG2 VAL A  24       4.630  -8.087   7.462  1.00  0.00           C
ATOM      0  H   VAL A  24       5.345  -7.226   5.243  1.00  0.00           H   new
ATOM      0  HA  VAL A  24       3.640  -9.381   4.421  1.00  0.00           H   new
ATOM      0  HB  VAL A  24       3.570  -9.845   6.895  1.00  0.00           H   new
ATOM      0 HG11 VAL A  24       5.951 -10.432   7.096  1.00  0.00           H   new
ATOM      0 HG12 VAL A  24       5.306 -10.827   5.485  1.00  0.00           H   new
ATOM      0 HG13 VAL A  24       6.323  -9.384   5.707  1.00  0.00           H   new
ATOM      0 HG21 VAL A  24       5.031  -8.528   8.374  1.00  0.00           H   new
ATOM      0 HG22 VAL A  24       5.364  -7.402   7.037  1.00  0.00           H   new
ATOM      0 HG23 VAL A  24       3.716  -7.540   7.695  1.00  0.00           H   new
ATOM    304  N   TYR A  25       2.388  -6.690   5.801  1.00  0.00           N
ATOM    305  CA  TYR A  25       1.151  -5.982   6.109  1.00  0.00           C
ATOM    306  C   TYR A  25       0.214  -5.975   4.905  1.00  0.00           C
ATOM    307  O   TYR A  25       0.624  -6.270   3.782  1.00  0.00           O
ATOM    308  CB  TYR A  25       1.454  -4.547   6.542  1.00  0.00           C
ATOM    309  CG  TYR A  25       2.573  -4.443   7.554  1.00  0.00           C
ATOM    310  CD1 TYR A  25       2.321  -4.577   8.914  1.00  0.00           C
ATOM    311  CD2 TYR A  25       3.882  -4.211   7.150  1.00  0.00           C
ATOM    312  CE1 TYR A  25       3.340  -4.482   9.841  1.00  0.00           C
ATOM    313  CE2 TYR A  25       4.907  -4.116   8.070  1.00  0.00           C
ATOM    314  CZ  TYR A  25       4.632  -4.252   9.415  1.00  0.00           C
ATOM    315  OH  TYR A  25       5.650  -4.158  10.336  1.00  0.00           O
ATOM      0  H   TYR A  25       3.230  -6.120   5.879  1.00  0.00           H   new
ATOM      0  HA  TYR A  25       0.657  -6.505   6.928  1.00  0.00           H   new
ATOM      0  HB2 TYR A  25       1.715  -3.959   5.662  1.00  0.00           H   new
ATOM      0  HB3 TYR A  25       0.551  -4.106   6.964  1.00  0.00           H   new
ATOM      0  HD1 TYR A  25       1.311  -4.758   9.252  1.00  0.00           H   new
ATOM      0  HD2 TYR A  25       4.101  -4.103   6.098  1.00  0.00           H   new
ATOM      0  HE1 TYR A  25       3.127  -4.587  10.894  1.00  0.00           H   new
ATOM      0  HE2 TYR A  25       5.919  -3.936   7.738  1.00  0.00           H   new
ATOM      0  HH  TYR A  25       6.497  -3.995   9.871  1.00  0.00           H   new
ATOM    325  N   PHE A  26      -1.048  -5.635   5.148  1.00  0.00           N
ATOM    326  CA  PHE A  26      -2.045  -5.589   4.085  1.00  0.00           C
ATOM    327  C   PHE A  26      -2.258  -4.158   3.600  1.00  0.00           C
ATOM    328  O   PHE A  26      -2.046  -3.201   4.344  1.00  0.00           O
ATOM    329  CB  PHE A  26      -3.371  -6.176   4.574  1.00  0.00           C
ATOM    330  CG  PHE A  26      -3.337  -7.668   4.751  1.00  0.00           C
ATOM    331  CD1 PHE A  26      -2.408  -8.258   5.593  1.00  0.00           C
ATOM    332  CD2 PHE A  26      -4.234  -8.479   4.076  1.00  0.00           C
ATOM    333  CE1 PHE A  26      -2.375  -9.630   5.757  1.00  0.00           C
ATOM    334  CE2 PHE A  26      -4.206  -9.852   4.236  1.00  0.00           C
ATOM    335  CZ  PHE A  26      -3.275 -10.427   5.079  1.00  0.00           C
ATOM      0  H   PHE A  26      -1.404  -5.387   6.071  1.00  0.00           H   new
ATOM      0  HA  PHE A  26      -1.677  -6.186   3.251  1.00  0.00           H   new
ATOM      0  HB2 PHE A  26      -3.637  -5.711   5.524  1.00  0.00           H   new
ATOM      0  HB3 PHE A  26      -4.157  -5.920   3.863  1.00  0.00           H   new
ATOM      0  HD1 PHE A  26      -1.702  -7.639   6.127  1.00  0.00           H   new
ATOM      0  HD2 PHE A  26      -4.964  -8.034   3.417  1.00  0.00           H   new
ATOM      0  HE1 PHE A  26      -1.645 -10.078   6.415  1.00  0.00           H   new
ATOM      0  HE2 PHE A  26      -4.910 -10.473   3.703  1.00  0.00           H   new
ATOM      0  HZ  PHE A  26      -3.251 -11.499   5.207  1.00  0.00           H   new
ATOM    345  N   GLY A  27      -2.678  -4.021   2.346  1.00  0.00           N
ATOM    346  CA  GLY A  27      -2.912  -2.704   1.783  1.00  0.00           C
ATOM    347  C   GLY A  27      -4.386  -2.418   1.569  1.00  0.00           C
ATOM    348  O   GLY A  27      -5.245  -3.175   2.021  1.00  0.00           O
ATOM      0  H   GLY A  27      -2.860  -4.798   1.710  1.00  0.00           H   new
ATOM      0  HA2 GLY A  27      -2.491  -1.949   2.447  1.00  0.00           H   new
ATOM      0  HA3 GLY A  27      -2.387  -2.621   0.831  1.00  0.00           H   new
ATOM    352  N   THR A  28      -4.680  -1.321   0.878  1.00  0.00           N
ATOM    353  CA  THR A  28      -6.059  -0.935   0.608  1.00  0.00           C
ATOM    354  C   THR A  28      -6.213  -0.407  -0.814  1.00  0.00           C
ATOM    355  O   THR A  28      -5.263   0.078  -1.428  1.00  0.00           O
ATOM    356  CB  THR A  28      -6.546   0.139   1.598  1.00  0.00           C
ATOM    357  OG1 THR A  28      -5.551   1.158   1.745  1.00  0.00           O
ATOM    358  CG2 THR A  28      -6.854  -0.476   2.955  1.00  0.00           C
ATOM      0  H   THR A  28      -3.981  -0.684   0.495  1.00  0.00           H   new
ATOM      0  HA  THR A  28      -6.668  -1.831   0.728  1.00  0.00           H   new
ATOM      0  HB  THR A  28      -7.460   0.580   1.201  1.00  0.00           H   new
ATOM      0  HG1 THR A  28      -5.869   1.838   2.375  1.00  0.00           H   new
ATOM      0 HG21 THR A  28      -7.196   0.302   3.638  1.00  0.00           H   new
ATOM      0 HG22 THR A  28      -7.633  -1.230   2.844  1.00  0.00           H   new
ATOM      0 HG23 THR A  28      -5.954  -0.941   3.357  1.00  0.00           H   new
ATOM    366  N   PRO A  29      -7.439  -0.500  -1.351  1.00  0.00           N
ATOM    367  CA  PRO A  29      -7.747  -0.036  -2.707  1.00  0.00           C
ATOM    368  C   PRO A  29      -7.706   1.484  -2.822  1.00  0.00           C
ATOM    369  O   PRO A  29      -7.625   2.030  -3.921  1.00  0.00           O
ATOM    370  CB  PRO A  29      -9.168  -0.552  -2.945  1.00  0.00           C
ATOM    371  CG  PRO A  29      -9.756  -0.684  -1.582  1.00  0.00           C
ATOM    372  CD  PRO A  29      -8.619  -1.067  -0.676  1.00  0.00           C
ATOM      0  HA  PRO A  29      -7.021  -0.396  -3.436  1.00  0.00           H   new
ATOM      0  HB2 PRO A  29      -9.743   0.141  -3.559  1.00  0.00           H   new
ATOM      0  HB3 PRO A  29      -9.160  -1.509  -3.467  1.00  0.00           H   new
ATOM      0  HG2 PRO A  29     -10.212   0.253  -1.261  1.00  0.00           H   new
ATOM      0  HG3 PRO A  29     -10.539  -1.442  -1.567  1.00  0.00           H   new
ATOM      0  HD2 PRO A  29      -8.746  -0.655   0.325  1.00  0.00           H   new
ATOM      0  HD3 PRO A  29      -8.539  -2.149  -0.567  1.00  0.00           H   new
ATOM    380  N   GLU A  30      -7.761   2.161  -1.679  1.00  0.00           N
ATOM    381  CA  GLU A  30      -7.731   3.619  -1.653  1.00  0.00           C
ATOM    382  C   GLU A  30      -6.298   4.135  -1.752  1.00  0.00           C
ATOM    383  O   GLU A  30      -6.028   5.120  -2.438  1.00  0.00           O
ATOM    384  CB  GLU A  30      -8.386   4.143  -0.373  1.00  0.00           C
ATOM    385  CG  GLU A  30      -8.996   5.526  -0.524  1.00  0.00           C
ATOM    386  CD  GLU A  30      -9.004   6.305   0.777  1.00  0.00           C
ATOM    387  OE1 GLU A  30      -9.954   6.127   1.569  1.00  0.00           O
ATOM    388  OE2 GLU A  30      -8.062   7.092   1.004  1.00  0.00           O
ATOM      0  H   GLU A  30      -7.826   1.724  -0.760  1.00  0.00           H   new
ATOM      0  HA  GLU A  30      -8.291   3.984  -2.514  1.00  0.00           H   new
ATOM      0  HB2 GLU A  30      -9.162   3.445  -0.060  1.00  0.00           H   new
ATOM      0  HB3 GLU A  30      -7.641   4.169   0.422  1.00  0.00           H   new
ATOM      0  HG2 GLU A  30      -8.438   6.085  -1.275  1.00  0.00           H   new
ATOM      0  HG3 GLU A  30     -10.017   5.430  -0.892  1.00  0.00           H   new
ATOM    395  N   ASN A  31      -5.384   3.462  -1.061  1.00  0.00           N
ATOM    396  CA  ASN A  31      -3.979   3.853  -1.069  1.00  0.00           C
ATOM    397  C   ASN A  31      -3.265   3.288  -2.294  1.00  0.00           C
ATOM    398  O   ASN A  31      -2.036   3.215  -2.332  1.00  0.00           O
ATOM    399  CB  ASN A  31      -3.286   3.370   0.207  1.00  0.00           C
ATOM    400  CG  ASN A  31      -3.791   4.086   1.445  1.00  0.00           C
ATOM    401  OD1 ASN A  31      -4.602   5.007   1.355  1.00  0.00           O
ATOM    402  ND2 ASN A  31      -3.311   3.664   2.609  1.00  0.00           N
ATOM      0  H   ASN A  31      -5.591   2.644  -0.489  1.00  0.00           H   new
ATOM      0  HA  ASN A  31      -3.930   4.941  -1.111  1.00  0.00           H   new
ATOM      0  HB2 ASN A  31      -3.445   2.298   0.320  1.00  0.00           H   new
ATOM      0  HB3 ASN A  31      -2.211   3.524   0.114  1.00  0.00           H   new
ATOM      0 HD21 ASN A  31      -3.614   4.107   3.476  1.00  0.00           H   new
ATOM      0 HD22 ASN A  31      -2.640   2.896   2.636  1.00  0.00           H   new
ATOM    409  N   LYS A  32      -4.043   2.890  -3.294  1.00  0.00           N
ATOM    410  CA  LYS A  32      -3.487   2.333  -4.522  1.00  0.00           C
ATOM    411  C   LYS A  32      -2.767   1.017  -4.246  1.00  0.00           C
ATOM    412  O   LYS A  32      -1.697   0.757  -4.792  1.00  0.00           O
ATOM    413  CB  LYS A  32      -2.520   3.330  -5.166  1.00  0.00           C
ATOM    414  CG  LYS A  32      -3.169   4.650  -5.542  1.00  0.00           C
ATOM    415  CD  LYS A  32      -3.854   4.569  -6.896  1.00  0.00           C
ATOM    416  CE  LYS A  32      -3.934   5.934  -7.563  1.00  0.00           C
ATOM    417  NZ  LYS A  32      -4.120   5.821  -9.036  1.00  0.00           N
ATOM      0  H   LYS A  32      -5.062   2.943  -3.279  1.00  0.00           H   new
ATOM      0  HA  LYS A  32      -4.311   2.139  -5.209  1.00  0.00           H   new
ATOM      0  HB2 LYS A  32      -1.698   3.522  -4.477  1.00  0.00           H   new
ATOM      0  HB3 LYS A  32      -2.088   2.879  -6.060  1.00  0.00           H   new
ATOM      0  HG2 LYS A  32      -3.898   4.928  -4.781  1.00  0.00           H   new
ATOM      0  HG3 LYS A  32      -2.413   5.435  -5.562  1.00  0.00           H   new
ATOM      0  HD2 LYS A  32      -3.308   3.880  -7.540  1.00  0.00           H   new
ATOM      0  HD3 LYS A  32      -4.858   4.163  -6.773  1.00  0.00           H   new
ATOM      0  HE2 LYS A  32      -4.762   6.500  -7.135  1.00  0.00           H   new
ATOM      0  HE3 LYS A  32      -3.023   6.494  -7.354  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  32      -4.170   6.772  -9.454  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  32      -3.318   5.303  -9.448  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  32      -5.003   5.308  -9.236  1.00  0.00           H   new
ATOM    431  N   GLY A  33      -3.364   0.189  -3.394  1.00  0.00           N
ATOM    432  CA  GLY A  33      -2.767  -1.091  -3.061  1.00  0.00           C
ATOM    433  C   GLY A  33      -1.745  -0.982  -1.947  1.00  0.00           C
ATOM    434  O   GLY A  33      -1.661  -1.855  -1.083  1.00  0.00           O
ATOM      0  H   GLY A  33      -4.251   0.382  -2.928  1.00  0.00           H   new
ATOM      0  HA2 GLY A  33      -3.551  -1.788  -2.764  1.00  0.00           H   new
ATOM      0  HA3 GLY A  33      -2.290  -1.508  -3.948  1.00  0.00           H   new
ATOM    438  N   PHE A  34      -0.964   0.093  -1.966  1.00  0.00           N
ATOM    439  CA  PHE A  34       0.060   0.313  -0.950  1.00  0.00           C
ATOM    440  C   PHE A  34      -0.573   0.547   0.418  1.00  0.00           C
ATOM    441  O   PHE A  34      -1.505   1.340   0.556  1.00  0.00           O
ATOM    442  CB  PHE A  34       0.937   1.507  -1.330  1.00  0.00           C
ATOM    443  CG  PHE A  34       1.775   1.270  -2.555  1.00  0.00           C
ATOM    444  CD1 PHE A  34       3.045   0.727  -2.448  1.00  0.00           C
ATOM    445  CD2 PHE A  34       1.291   1.591  -3.813  1.00  0.00           C
ATOM    446  CE1 PHE A  34       3.817   0.508  -3.572  1.00  0.00           C
ATOM    447  CE2 PHE A  34       2.059   1.373  -4.942  1.00  0.00           C
ATOM    448  CZ  PHE A  34       3.324   0.832  -4.821  1.00  0.00           C
ATOM      0  H   PHE A  34      -1.020   0.826  -2.673  1.00  0.00           H   new
ATOM      0  HA  PHE A  34       0.680  -0.582  -0.895  1.00  0.00           H   new
ATOM      0  HB2 PHE A  34       0.301   2.376  -1.497  1.00  0.00           H   new
ATOM      0  HB3 PHE A  34       1.592   1.748  -0.493  1.00  0.00           H   new
ATOM      0  HD1 PHE A  34       3.436   0.472  -1.474  1.00  0.00           H   new
ATOM      0  HD2 PHE A  34       0.303   2.016  -3.913  1.00  0.00           H   new
ATOM      0  HE1 PHE A  34       4.805   0.084  -3.475  1.00  0.00           H   new
ATOM      0  HE2 PHE A  34       1.670   1.626  -5.917  1.00  0.00           H   new
ATOM      0  HZ  PHE A  34       3.927   0.663  -5.701  1.00  0.00           H   new
ATOM    458  N   CYS A  35      -0.060  -0.148   1.427  1.00  0.00           N
ATOM    459  CA  CYS A  35      -0.574  -0.018   2.786  1.00  0.00           C
ATOM    460  C   CYS A  35      -0.267   1.364   3.353  1.00  0.00           C
ATOM    461  O   CYS A  35       0.414   2.171   2.720  1.00  0.00           O
ATOM    462  CB  CYS A  35       0.029  -1.098   3.687  1.00  0.00           C
ATOM    463  SG  CYS A  35       1.823  -0.928   3.952  1.00  0.00           S
ATOM      0  H   CYS A  35       0.712  -0.808   1.330  1.00  0.00           H   new
ATOM      0  HA  CYS A  35      -1.656  -0.145   2.753  1.00  0.00           H   new
ATOM      0  HB2 CYS A  35      -0.474  -1.073   4.654  1.00  0.00           H   new
ATOM      0  HB3 CYS A  35      -0.172  -2.076   3.249  1.00  0.00           H   new
ATOM      0  HG  CYS A  35       2.404  -2.071   3.736  1.00  0.00           H   new
ATOM    468  N   THR A  36      -0.773   1.631   4.553  1.00  0.00           N
ATOM    469  CA  THR A  36      -0.554   2.915   5.207  1.00  0.00           C
ATOM    470  C   THR A  36       0.929   3.263   5.254  1.00  0.00           C
ATOM    471  O   THR A  36       1.330   4.371   4.895  1.00  0.00           O
ATOM    472  CB  THR A  36      -1.116   2.919   6.641  1.00  0.00           C
ATOM    473  OG1 THR A  36      -2.469   2.449   6.638  1.00  0.00           O
ATOM    474  CG2 THR A  36      -1.061   4.316   7.240  1.00  0.00           C
ATOM      0  H   THR A  36      -1.338   0.974   5.092  1.00  0.00           H   new
ATOM      0  HA  THR A  36      -1.081   3.664   4.616  1.00  0.00           H   new
ATOM      0  HB  THR A  36      -0.502   2.255   7.250  1.00  0.00           H   new
ATOM      0  HG1 THR A  36      -2.819   2.453   7.553  1.00  0.00           H   new
ATOM      0 HG21 THR A  36      -1.463   4.294   8.253  1.00  0.00           H   new
ATOM      0 HG22 THR A  36      -0.027   4.660   7.268  1.00  0.00           H   new
ATOM      0 HG23 THR A  36      -1.653   4.997   6.629  1.00  0.00           H   new
ATOM    482  N   LEU A  37       1.741   2.309   5.697  1.00  0.00           N
ATOM    483  CA  LEU A  37       3.183   2.514   5.790  1.00  0.00           C
ATOM    484  C   LEU A  37       3.769   2.881   4.431  1.00  0.00           C
ATOM    485  O   LEU A  37       4.248   3.997   4.230  1.00  0.00           O
ATOM    486  CB  LEU A  37       3.863   1.255   6.329  1.00  0.00           C
ATOM    487  CG  LEU A  37       3.833   1.073   7.847  1.00  0.00           C
ATOM    488  CD1 LEU A  37       4.282  -0.330   8.226  1.00  0.00           C
ATOM    489  CD2 LEU A  37       4.708   2.117   8.526  1.00  0.00           C
ATOM      0  H   LEU A  37       1.426   1.387   5.997  1.00  0.00           H   new
ATOM      0  HA  LEU A  37       3.365   3.340   6.478  1.00  0.00           H   new
ATOM      0  HB2 LEU A  37       3.391   0.386   5.870  1.00  0.00           H   new
ATOM      0  HB3 LEU A  37       4.904   1.261   6.004  1.00  0.00           H   new
ATOM      0  HG  LEU A  37       2.807   1.208   8.190  1.00  0.00           H   new
ATOM      0 HD11 LEU A  37       4.254  -0.441   9.310  1.00  0.00           H   new
ATOM      0 HD12 LEU A  37       3.615  -1.061   7.769  1.00  0.00           H   new
ATOM      0 HD13 LEU A  37       5.299  -0.495   7.871  1.00  0.00           H   new
ATOM      0 HD21 LEU A  37       4.675   1.973   9.606  1.00  0.00           H   new
ATOM      0 HD22 LEU A  37       5.735   2.013   8.177  1.00  0.00           H   new
ATOM      0 HD23 LEU A  37       4.341   3.114   8.282  1.00  0.00           H   new
ATOM    501  N   CYS A  38       3.727   1.934   3.500  1.00  0.00           N
ATOM    502  CA  CYS A  38       4.253   2.156   2.158  1.00  0.00           C
ATOM    503  C   CYS A  38       3.673   3.431   1.551  1.00  0.00           C
ATOM    504  O   CYS A  38       4.407   4.354   1.199  1.00  0.00           O
ATOM    505  CB  CYS A  38       3.936   0.960   1.259  1.00  0.00           C
ATOM    506  SG  CYS A  38       4.845  -0.558   1.693  1.00  0.00           S
ATOM      0  H   CYS A  38       3.334   1.005   3.650  1.00  0.00           H   new
ATOM      0  HA  CYS A  38       5.335   2.269   2.232  1.00  0.00           H   new
ATOM      0  HB2 CYS A  38       2.866   0.756   1.307  1.00  0.00           H   new
ATOM      0  HB3 CYS A  38       4.164   1.225   0.226  1.00  0.00           H   new
ATOM      0  HG  CYS A  38       4.125  -1.597   1.389  1.00  0.00           H   new
ATOM    511  N   PHE A  39       2.350   3.473   1.432  1.00  0.00           N
ATOM    512  CA  PHE A  39       1.671   4.634   0.867  1.00  0.00           C
ATOM    513  C   PHE A  39       2.415   5.921   1.210  1.00  0.00           C
ATOM    514  O   PHE A  39       2.836   6.662   0.322  1.00  0.00           O
ATOM    515  CB  PHE A  39       0.232   4.710   1.383  1.00  0.00           C
ATOM    516  CG  PHE A  39      -0.512   5.925   0.906  1.00  0.00           C
ATOM    517  CD1 PHE A  39      -0.816   6.085  -0.436  1.00  0.00           C
ATOM    518  CD2 PHE A  39      -0.907   6.907   1.801  1.00  0.00           C
ATOM    519  CE1 PHE A  39      -1.501   7.201  -0.878  1.00  0.00           C
ATOM    520  CE2 PHE A  39      -1.592   8.025   1.365  1.00  0.00           C
ATOM    521  CZ  PHE A  39      -1.889   8.173   0.024  1.00  0.00           C
ATOM      0  H   PHE A  39       1.727   2.718   1.719  1.00  0.00           H   new
ATOM      0  HA  PHE A  39       1.656   4.523  -0.217  1.00  0.00           H   new
ATOM      0  HB2 PHE A  39      -0.307   3.817   1.067  1.00  0.00           H   new
ATOM      0  HB3 PHE A  39       0.244   4.706   2.473  1.00  0.00           H   new
ATOM      0  HD1 PHE A  39      -0.514   5.329  -1.145  1.00  0.00           H   new
ATOM      0  HD2 PHE A  39      -0.677   6.797   2.850  1.00  0.00           H   new
ATOM      0  HE1 PHE A  39      -1.733   7.313  -1.927  1.00  0.00           H   new
ATOM      0  HE2 PHE A  39      -1.895   8.783   2.072  1.00  0.00           H   new
ATOM      0  HZ  PHE A  39      -2.423   9.047  -0.319  1.00  0.00           H   new
ATOM    531  N   ILE A  40       2.573   6.178   2.504  1.00  0.00           N
ATOM    532  CA  ILE A  40       3.266   7.375   2.965  1.00  0.00           C
ATOM    533  C   ILE A  40       4.658   7.474   2.351  1.00  0.00           C
ATOM    534  O   ILE A  40       5.038   8.514   1.815  1.00  0.00           O
ATOM    535  CB  ILE A  40       3.391   7.397   4.500  1.00  0.00           C
ATOM    536  CG1 ILE A  40       2.006   7.347   5.147  1.00  0.00           C
ATOM    537  CG2 ILE A  40       4.149   8.636   4.952  1.00  0.00           C
ATOM    538  CD1 ILE A  40       2.043   7.075   6.634  1.00  0.00           C
ATOM      0  H   ILE A  40       2.231   5.574   3.251  1.00  0.00           H   new
ATOM      0  HA  ILE A  40       2.669   8.229   2.645  1.00  0.00           H   new
ATOM      0  HB  ILE A  40       3.951   6.517   4.817  1.00  0.00           H   new
ATOM      0 HG12 ILE A  40       1.498   8.295   4.972  1.00  0.00           H   new
ATOM      0 HG13 ILE A  40       1.414   6.573   4.659  1.00  0.00           H   new
ATOM      0 HG21 ILE A  40       4.229   8.637   6.039  1.00  0.00           H   new
ATOM      0 HG22 ILE A  40       5.147   8.631   4.515  1.00  0.00           H   new
ATOM      0 HG23 ILE A  40       3.614   9.528   4.627  1.00  0.00           H   new
ATOM      0 HD11 ILE A  40       1.026   7.054   7.025  1.00  0.00           H   new
ATOM      0 HD12 ILE A  40       2.522   6.113   6.816  1.00  0.00           H   new
ATOM      0 HD13 ILE A  40       2.608   7.862   7.134  1.00  0.00           H   new
ATOM    550  N   GLU A  41       5.414   6.383   2.433  1.00  0.00           N
ATOM    551  CA  GLU A  41       6.765   6.348   1.884  1.00  0.00           C
ATOM    552  C   GLU A  41       6.761   6.721   0.405  1.00  0.00           C
ATOM    553  O   GLU A  41       7.513   7.594  -0.029  1.00  0.00           O
ATOM    554  CB  GLU A  41       7.378   4.958   2.069  1.00  0.00           C
ATOM    555  CG  GLU A  41       7.656   4.604   3.520  1.00  0.00           C
ATOM    556  CD  GLU A  41       8.308   3.243   3.674  1.00  0.00           C
ATOM    557  OE1 GLU A  41       9.488   3.104   3.291  1.00  0.00           O
ATOM    558  OE2 GLU A  41       7.637   2.318   4.179  1.00  0.00           O
ATOM      0  H   GLU A  41       5.114   5.513   2.874  1.00  0.00           H   new
ATOM      0  HA  GLU A  41       7.368   7.078   2.423  1.00  0.00           H   new
ATOM      0  HB2 GLU A  41       6.704   4.214   1.645  1.00  0.00           H   new
ATOM      0  HB3 GLU A  41       8.309   4.903   1.505  1.00  0.00           H   new
ATOM      0  HG2 GLU A  41       8.303   5.364   3.958  1.00  0.00           H   new
ATOM      0  HG3 GLU A  41       6.721   4.620   4.080  1.00  0.00           H   new
ATOM    565  N   TYR A  42       5.909   6.053  -0.366  1.00  0.00           N
ATOM    566  CA  TYR A  42       5.808   6.312  -1.797  1.00  0.00           C
ATOM    567  C   TYR A  42       5.783   7.811  -2.079  1.00  0.00           C
ATOM    568  O   TYR A  42       6.552   8.312  -2.899  1.00  0.00           O
ATOM    569  CB  TYR A  42       4.552   5.652  -2.368  1.00  0.00           C
ATOM    570  CG  TYR A  42       4.312   5.969  -3.827  1.00  0.00           C
ATOM    571  CD1 TYR A  42       5.026   5.318  -4.826  1.00  0.00           C
ATOM    572  CD2 TYR A  42       3.373   6.920  -4.207  1.00  0.00           C
ATOM    573  CE1 TYR A  42       4.811   5.605  -6.160  1.00  0.00           C
ATOM    574  CE2 TYR A  42       3.150   7.212  -5.539  1.00  0.00           C
ATOM    575  CZ  TYR A  42       3.872   6.552  -6.511  1.00  0.00           C
ATOM    576  OH  TYR A  42       3.654   6.841  -7.839  1.00  0.00           O
ATOM      0  H   TYR A  42       5.279   5.328  -0.023  1.00  0.00           H   new
ATOM      0  HA  TYR A  42       6.686   5.885  -2.281  1.00  0.00           H   new
ATOM      0  HB2 TYR A  42       4.633   4.572  -2.248  1.00  0.00           H   new
ATOM      0  HB3 TYR A  42       3.687   5.973  -1.788  1.00  0.00           H   new
ATOM      0  HD1 TYR A  42       5.761   4.575  -4.555  1.00  0.00           H   new
ATOM      0  HD2 TYR A  42       2.808   7.440  -3.448  1.00  0.00           H   new
ATOM      0  HE1 TYR A  42       5.375   5.091  -6.924  1.00  0.00           H   new
ATOM      0  HE2 TYR A  42       2.415   7.953  -5.817  1.00  0.00           H   new
ATOM      0  HH  TYR A  42       2.960   7.529  -7.914  1.00  0.00           H   new