USER  MOD reduce.3.24.130724 H: found=0, std=0, add=178, rem=0, adj=8
USER  MOD reduce.3.24.130724 removed 174 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 421 CYS SG  :   rot -174:sc=   -2.03
USER  MOD Set 1.2: A 427 CYS SG  :   rot -139:sc=   -0.87
USER  MOD Set 1.3: A 434 HIS     :     no HD1:sc=  -0.772  K(o=-4.8,f=-8.4)
USER  MOD Set 1.4: A 440 HIS     :     no HE2:sc=   -1.17  K(o=-4.8,f=-12)
USER  MOD Single : A 423 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A 426 SER OG  :   rot  -53:sc=    1.21
USER  MOD Single : A 428 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A 430 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A 431 ASN     :      amide:sc=       0  X(o=0,f=0)
USER  MOD Single : A 433 GLN     :      amide:sc=   -4.76! C(o=-4.8!,f=-4.5!)
USER  MOD Single : A 435 LYS NZ  :NH3+   -149:sc=   -0.12   (180deg=-1.01)
USER  MOD Single : A 438 TYR OH  :   rot  180:sc=       0
USER  MOD -----------------------------------------------------------------
ATOM    196  N   PRO A 419       1.798  -7.520   4.561  1.00  0.00           N
ATOM    197  CA  PRO A 419       2.595  -8.229   3.525  1.00  0.00           C
ATOM    198  C   PRO A 419       3.450  -7.217   2.720  1.00  0.00           C
ATOM    199  O   PRO A 419       4.510  -6.841   3.183  1.00  0.00           O
ATOM    200  CB  PRO A 419       1.530  -8.972   2.704  1.00  0.00           C
ATOM    201  CG  PRO A 419       0.275  -8.193   2.928  1.00  0.00           C
ATOM    202  CD  PRO A 419       0.355  -7.684   4.339  1.00  0.00           C
ATOM      0  HA  PRO A 419       3.332  -8.932   3.913  1.00  0.00           H   new
ATOM      0  HB2 PRO A 419       1.794  -9.004   1.647  1.00  0.00           H   new
ATOM      0  HB3 PRO A 419       1.421 -10.004   3.036  1.00  0.00           H   new
ATOM      0  HG2 PRO A 419       0.195  -7.369   2.219  1.00  0.00           H   new
ATOM      0  HG3 PRO A 419      -0.605  -8.821   2.788  1.00  0.00           H   new
ATOM      0  HD2 PRO A 419      -0.179  -6.741   4.457  1.00  0.00           H   new
ATOM      0  HD3 PRO A 419      -0.083  -8.389   5.046  1.00  0.00           H   new
ATOM    210  N   GLU A 420       3.044  -6.762   1.540  1.00  0.00           N
ATOM    211  CA  GLU A 420       3.903  -5.780   0.784  1.00  0.00           C
ATOM    212  C   GLU A 420       3.174  -5.254  -0.478  1.00  0.00           C
ATOM    213  O   GLU A 420       2.956  -5.984  -1.424  1.00  0.00           O
ATOM    214  CB  GLU A 420       5.169  -6.558   0.388  1.00  0.00           C
ATOM    215  CG  GLU A 420       4.795  -7.771  -0.469  1.00  0.00           C
ATOM    216  CD  GLU A 420       5.926  -8.803  -0.419  1.00  0.00           C
ATOM    217  OE1 GLU A 420       6.922  -8.597  -1.092  1.00  0.00           O
ATOM    218  OE2 GLU A 420       5.774  -9.784   0.291  1.00  0.00           O
ATOM      0  H   GLU A 420       2.172  -7.025   1.080  1.00  0.00           H   new
ATOM      0  HA  GLU A 420       4.135  -4.907   1.394  1.00  0.00           H   new
ATOM      0  HB2 GLU A 420       5.847  -5.908  -0.165  1.00  0.00           H   new
ATOM      0  HB3 GLU A 420       5.699  -6.885   1.283  1.00  0.00           H   new
ATOM      0  HG2 GLU A 420       3.868  -8.214  -0.105  1.00  0.00           H   new
ATOM      0  HG3 GLU A 420       4.617  -7.461  -1.499  1.00  0.00           H   new
ATOM    225  N   CYS A 421       2.787  -3.993  -0.482  1.00  0.00           N
ATOM    226  CA  CYS A 421       2.060  -3.408  -1.679  1.00  0.00           C
ATOM    227  C   CYS A 421       2.737  -3.790  -3.019  1.00  0.00           C
ATOM    228  O   CYS A 421       3.946  -3.728  -3.128  1.00  0.00           O
ATOM    229  CB  CYS A 421       2.121  -1.883  -1.486  1.00  0.00           C
ATOM    230  SG  CYS A 421       0.987  -1.073  -2.635  1.00  0.00           S
ATOM      0  H   CYS A 421       2.940  -3.341   0.287  1.00  0.00           H   new
ATOM      0  HA  CYS A 421       1.041  -3.791  -1.731  1.00  0.00           H   new
ATOM      0  HB2 CYS A 421       1.858  -1.627  -0.460  1.00  0.00           H   new
ATOM      0  HB3 CYS A 421       3.138  -1.527  -1.653  1.00  0.00           H   new
ATOM      0  HG  CYS A 421       1.136   0.216  -2.556  1.00  0.00           H   new
ATOM    235  N   PRO A 422       1.932  -4.148  -4.015  1.00  0.00           N
ATOM    236  CA  PRO A 422       2.488  -4.503  -5.357  1.00  0.00           C
ATOM    237  C   PRO A 422       2.980  -3.246  -6.124  1.00  0.00           C
ATOM    238  O   PRO A 422       3.675  -3.365  -7.117  1.00  0.00           O
ATOM    239  CB  PRO A 422       1.304  -5.136  -6.083  1.00  0.00           C
ATOM    240  CG  PRO A 422       0.093  -4.559  -5.424  1.00  0.00           C
ATOM    241  CD  PRO A 422       0.462  -4.260  -3.994  1.00  0.00           C
ATOM      0  HA  PRO A 422       3.353  -5.162  -5.282  1.00  0.00           H   new
ATOM      0  HB2 PRO A 422       1.323  -4.902  -7.148  1.00  0.00           H   new
ATOM      0  HB3 PRO A 422       1.322  -6.222  -5.995  1.00  0.00           H   new
ATOM      0  HG2 PRO A 422      -0.228  -3.652  -5.936  1.00  0.00           H   new
ATOM      0  HG3 PRO A 422      -0.740  -5.261  -5.467  1.00  0.00           H   new
ATOM      0  HD2 PRO A 422      -0.003  -3.337  -3.648  1.00  0.00           H   new
ATOM      0  HD3 PRO A 422       0.133  -5.054  -3.324  1.00  0.00           H   new
ATOM    249  N   TYR A 423       2.662  -2.049  -5.659  1.00  0.00           N
ATOM    250  CA  TYR A 423       3.158  -0.812  -6.348  1.00  0.00           C
ATOM    251  C   TYR A 423       4.584  -0.524  -5.861  1.00  0.00           C
ATOM    252  O   TYR A 423       5.487  -0.326  -6.653  1.00  0.00           O
ATOM    253  CB  TYR A 423       2.211   0.333  -5.933  1.00  0.00           C
ATOM    254  CG  TYR A 423       0.811   0.054  -6.432  1.00  0.00           C
ATOM    255  CD1 TYR A 423       0.603  -0.316  -7.790  1.00  0.00           C
ATOM    256  CD2 TYR A 423      -0.302   0.169  -5.549  1.00  0.00           C
ATOM    257  CE1 TYR A 423      -0.710  -0.572  -8.266  1.00  0.00           C
ATOM    258  CE2 TYR A 423      -1.615  -0.091  -6.028  1.00  0.00           C
ATOM    259  CZ  TYR A 423      -1.818  -0.461  -7.385  1.00  0.00           C
ATOM    260  OH  TYR A 423      -3.093  -0.711  -7.849  1.00  0.00           O
ATOM      0  H   TYR A 423       2.083  -1.882  -4.836  1.00  0.00           H   new
ATOM      0  HA  TYR A 423       3.173  -0.921  -7.432  1.00  0.00           H   new
ATOM      0  HB2 TYR A 423       2.205   0.436  -4.848  1.00  0.00           H   new
ATOM      0  HB3 TYR A 423       2.570   1.278  -6.341  1.00  0.00           H   new
ATOM      0  HD1 TYR A 423       1.446  -0.402  -8.460  1.00  0.00           H   new
ATOM      0  HD2 TYR A 423      -0.148   0.453  -4.518  1.00  0.00           H   new
ATOM      0  HE1 TYR A 423      -0.866  -0.851  -9.298  1.00  0.00           H   new
ATOM      0  HE2 TYR A 423      -2.459  -0.007  -5.360  1.00  0.00           H   new
ATOM      0  HH  TYR A 423      -3.736  -0.592  -7.119  1.00  0.00           H   new
ATOM    270  N   GLY A 424       4.799  -0.517  -4.558  1.00  0.00           N
ATOM    271  CA  GLY A 424       6.168  -0.262  -4.022  1.00  0.00           C
ATOM    272  C   GLY A 424       6.483   1.244  -4.082  1.00  0.00           C
ATOM    273  O   GLY A 424       5.740   2.041  -3.544  1.00  0.00           O
ATOM      0  H   GLY A 424       4.081  -0.677  -3.851  1.00  0.00           H   new
ATOM      0  HA2 GLY A 424       6.237  -0.616  -2.993  1.00  0.00           H   new
ATOM      0  HA3 GLY A 424       6.904  -0.820  -4.601  1.00  0.00           H   new
ATOM    277  N   PRO A 425       7.573   1.601  -4.736  1.00  0.00           N
ATOM    278  CA  PRO A 425       7.953   3.037  -4.847  1.00  0.00           C
ATOM    279  C   PRO A 425       6.997   3.825  -5.771  1.00  0.00           C
ATOM    280  O   PRO A 425       7.035   5.043  -5.788  1.00  0.00           O
ATOM    281  CB  PRO A 425       9.352   2.992  -5.456  1.00  0.00           C
ATOM    282  CG  PRO A 425       9.402   1.695  -6.193  1.00  0.00           C
ATOM    283  CD  PRO A 425       8.546   0.732  -5.421  1.00  0.00           C
ATOM      0  HA  PRO A 425       7.908   3.543  -3.882  1.00  0.00           H   new
ATOM      0  HB2 PRO A 425       9.520   3.835  -6.126  1.00  0.00           H   new
ATOM      0  HB3 PRO A 425      10.121   3.040  -4.685  1.00  0.00           H   new
ATOM      0  HG2 PRO A 425       9.031   1.813  -7.211  1.00  0.00           H   new
ATOM      0  HG3 PRO A 425      10.426   1.330  -6.267  1.00  0.00           H   new
ATOM      0  HD2 PRO A 425       8.051   0.019  -6.080  1.00  0.00           H   new
ATOM      0  HD3 PRO A 425       9.136   0.153  -4.710  1.00  0.00           H   new
ATOM    291  N   SER A 426       6.140   3.167  -6.537  1.00  0.00           N
ATOM    292  CA  SER A 426       5.214   3.928  -7.430  1.00  0.00           C
ATOM    293  C   SER A 426       3.770   3.833  -6.914  1.00  0.00           C
ATOM    294  O   SER A 426       2.839   3.779  -7.695  1.00  0.00           O
ATOM    295  CB  SER A 426       5.335   3.269  -8.804  1.00  0.00           C
ATOM    296  OG  SER A 426       4.294   3.747  -9.645  1.00  0.00           O
ATOM      0  H   SER A 426       6.050   2.152  -6.576  1.00  0.00           H   new
ATOM      0  HA  SER A 426       5.469   4.987  -7.466  1.00  0.00           H   new
ATOM      0  HB2 SER A 426       6.306   3.494  -9.244  1.00  0.00           H   new
ATOM      0  HB3 SER A 426       5.272   2.185  -8.708  1.00  0.00           H   new
ATOM      0  HG  SER A 426       3.430   3.623  -9.199  1.00  0.00           H   new
ATOM    302  N   CYS A 427       3.566   3.835  -5.609  1.00  0.00           N
ATOM    303  CA  CYS A 427       2.170   3.767  -5.080  1.00  0.00           C
ATOM    304  C   CYS A 427       1.638   5.186  -4.860  1.00  0.00           C
ATOM    305  O   CYS A 427       2.029   5.864  -3.929  1.00  0.00           O
ATOM    306  CB  CYS A 427       2.217   3.011  -3.752  1.00  0.00           C
ATOM    307  SG  CYS A 427       0.512   2.704  -3.226  1.00  0.00           S
ATOM      0  H   CYS A 427       4.300   3.880  -4.902  1.00  0.00           H   new
ATOM      0  HA  CYS A 427       1.511   3.257  -5.783  1.00  0.00           H   new
ATOM      0  HB2 CYS A 427       2.756   2.071  -3.867  1.00  0.00           H   new
ATOM      0  HB3 CYS A 427       2.749   3.593  -3.000  1.00  0.00           H   new
ATOM      0  HG  CYS A 427       0.412   2.897  -1.944  1.00  0.00           H   new
ATOM    312  N   TYR A 428       0.743   5.641  -5.707  1.00  0.00           N
ATOM    313  CA  TYR A 428       0.182   7.020  -5.538  1.00  0.00           C
ATOM    314  C   TYR A 428      -1.324   6.967  -5.210  1.00  0.00           C
ATOM    315  O   TYR A 428      -2.074   7.840  -5.597  1.00  0.00           O
ATOM    316  CB  TYR A 428       0.441   7.762  -6.865  1.00  0.00           C
ATOM    317  CG  TYR A 428      -0.213   7.053  -8.036  1.00  0.00           C
ATOM    318  CD1 TYR A 428      -1.578   7.297  -8.355  1.00  0.00           C
ATOM    319  CD2 TYR A 428       0.546   6.149  -8.831  1.00  0.00           C
ATOM    320  CE1 TYR A 428      -2.181   6.636  -9.458  1.00  0.00           C
ATOM    321  CE2 TYR A 428      -0.058   5.489  -9.935  1.00  0.00           C
ATOM    322  CZ  TYR A 428      -1.422   5.732 -10.247  1.00  0.00           C
ATOM    323  OH  TYR A 428      -2.009   5.091 -11.319  1.00  0.00           O
ATOM      0  H   TYR A 428       0.379   5.119  -6.504  1.00  0.00           H   new
ATOM      0  HA  TYR A 428       0.657   7.539  -4.705  1.00  0.00           H   new
ATOM      0  HB2 TYR A 428       0.058   8.780  -6.795  1.00  0.00           H   new
ATOM      0  HB3 TYR A 428       1.515   7.837  -7.037  1.00  0.00           H   new
ATOM      0  HD1 TYR A 428      -2.156   7.986  -7.757  1.00  0.00           H   new
ATOM      0  HD2 TYR A 428       1.583   5.964  -8.595  1.00  0.00           H   new
ATOM      0  HE1 TYR A 428      -3.218   6.821  -9.697  1.00  0.00           H   new
ATOM      0  HE2 TYR A 428       0.520   4.803 -10.536  1.00  0.00           H   new
ATOM      0  HH  TYR A 428      -1.351   4.509 -11.752  1.00  0.00           H   new
ATOM    333  N   ARG A 429      -1.772   5.963  -4.477  1.00  0.00           N
ATOM    334  CA  ARG A 429      -3.226   5.889  -4.122  1.00  0.00           C
ATOM    335  C   ARG A 429      -3.432   6.227  -2.633  1.00  0.00           C
ATOM    336  O   ARG A 429      -2.515   6.117  -1.841  1.00  0.00           O
ATOM    337  CB  ARG A 429      -3.666   4.444  -4.439  1.00  0.00           C
ATOM    338  CG  ARG A 429      -3.085   3.444  -3.428  1.00  0.00           C
ATOM    339  CD  ARG A 429      -2.803   2.113  -4.127  1.00  0.00           C
ATOM    340  NE  ARG A 429      -3.976   1.245  -3.794  1.00  0.00           N
ATOM    341  CZ  ARG A 429      -5.079   1.248  -4.531  1.00  0.00           C
ATOM    342  NH1 ARG A 429      -5.197   2.000  -5.601  1.00  0.00           N
ATOM    343  NH2 ARG A 429      -6.082   0.481  -4.189  1.00  0.00           N
ATOM      0  H   ARG A 429      -1.196   5.202  -4.116  1.00  0.00           H   new
ATOM      0  HA  ARG A 429      -3.820   6.608  -4.686  1.00  0.00           H   new
ATOM      0  HB2 ARG A 429      -4.754   4.383  -4.428  1.00  0.00           H   new
ATOM      0  HB3 ARG A 429      -3.342   4.176  -5.445  1.00  0.00           H   new
ATOM      0  HG2 ARG A 429      -2.167   3.841  -2.995  1.00  0.00           H   new
ATOM      0  HG3 ARG A 429      -3.785   3.294  -2.606  1.00  0.00           H   new
ATOM      0  HD2 ARG A 429      -2.704   2.246  -5.204  1.00  0.00           H   new
ATOM      0  HD3 ARG A 429      -1.872   1.671  -3.773  1.00  0.00           H   new
ATOM      0  HE  ARG A 429      -3.926   0.635  -2.978  1.00  0.00           H   new
ATOM      0 HH11 ARG A 429      -4.427   2.605  -5.887  1.00  0.00           H   new
ATOM      0 HH12 ARG A 429      -6.059   1.979  -6.146  1.00  0.00           H   new
ATOM      0 HH21 ARG A 429      -6.012  -0.112  -3.362  1.00  0.00           H   new
ATOM      0 HH22 ARG A 429      -6.934   0.476  -4.749  1.00  0.00           H   new
ATOM    357  N   LYS A 430      -4.625   6.629  -2.245  1.00  0.00           N
ATOM    358  CA  LYS A 430      -4.870   6.960  -0.809  1.00  0.00           C
ATOM    359  C   LYS A 430      -6.158   6.282  -0.316  1.00  0.00           C
ATOM    360  O   LYS A 430      -7.202   6.903  -0.254  1.00  0.00           O
ATOM    361  CB  LYS A 430      -5.011   8.482  -0.765  1.00  0.00           C
ATOM    362  CG  LYS A 430      -4.439   9.002   0.555  1.00  0.00           C
ATOM    363  CD  LYS A 430      -4.521  10.530   0.585  1.00  0.00           C
ATOM    364  CE  LYS A 430      -3.316  11.092   1.343  1.00  0.00           C
ATOM    365  NZ  LYS A 430      -2.265  11.279   0.306  1.00  0.00           N
ATOM      0  H   LYS A 430      -5.431   6.740  -2.860  1.00  0.00           H   new
ATOM      0  HA  LYS A 430      -4.063   6.610  -0.165  1.00  0.00           H   new
ATOM      0  HB2 LYS A 430      -4.484   8.932  -1.606  1.00  0.00           H   new
ATOM      0  HB3 LYS A 430      -6.060   8.765  -0.857  1.00  0.00           H   new
ATOM      0  HG2 LYS A 430      -4.994   8.582   1.394  1.00  0.00           H   new
ATOM      0  HG3 LYS A 430      -3.403   8.681   0.665  1.00  0.00           H   new
ATOM      0  HD2 LYS A 430      -4.540  10.924  -0.431  1.00  0.00           H   new
ATOM      0  HD3 LYS A 430      -5.446  10.846   1.067  1.00  0.00           H   new
ATOM      0  HE2 LYS A 430      -3.561  12.035   1.832  1.00  0.00           H   new
ATOM      0  HE3 LYS A 430      -2.984  10.406   2.122  1.00  0.00           H   new
ATOM      0  HZ1 LYS A 430      -1.405  11.662   0.748  1.00  0.00           H   new
ATOM      0  HZ2 LYS A 430      -2.048  10.364  -0.137  1.00  0.00           H   new
ATOM      0  HZ3 LYS A 430      -2.607  11.942  -0.419  1.00  0.00           H   new
ATOM    379  N   ASN A 431      -6.094   5.014   0.042  1.00  0.00           N
ATOM    380  CA  ASN A 431      -7.318   4.311   0.537  1.00  0.00           C
ATOM    381  C   ASN A 431      -7.162   3.992   2.030  1.00  0.00           C
ATOM    382  O   ASN A 431      -6.053   3.902   2.518  1.00  0.00           O
ATOM    383  CB  ASN A 431      -7.402   3.018  -0.280  1.00  0.00           C
ATOM    384  CG  ASN A 431      -8.401   3.199  -1.429  1.00  0.00           C
ATOM    385  OD1 ASN A 431      -8.084   3.817  -2.426  1.00  0.00           O
ATOM    386  ND2 ASN A 431      -9.603   2.683  -1.337  1.00  0.00           N
ATOM      0  H   ASN A 431      -5.249   4.443   0.011  1.00  0.00           H   new
ATOM      0  HA  ASN A 431      -8.218   4.916   0.424  1.00  0.00           H   new
ATOM      0  HB2 ASN A 431      -6.419   2.762  -0.676  1.00  0.00           H   new
ATOM      0  HB3 ASN A 431      -7.713   2.192   0.359  1.00  0.00           H   new
ATOM      0 HD21 ASN A 431     -10.268   2.801  -2.101  1.00  0.00           H   new
ATOM      0 HD22 ASN A 431      -9.872   2.164  -0.502  1.00  0.00           H   new
ATOM    393  N   PRO A 432      -8.270   3.825   2.719  1.00  0.00           N
ATOM    394  CA  PRO A 432      -8.205   3.514   4.166  1.00  0.00           C
ATOM    395  C   PRO A 432      -7.726   2.068   4.378  1.00  0.00           C
ATOM    396  O   PRO A 432      -6.814   1.828   5.145  1.00  0.00           O
ATOM    397  CB  PRO A 432      -9.641   3.713   4.649  1.00  0.00           C
ATOM    398  CG  PRO A 432     -10.497   3.530   3.436  1.00  0.00           C
ATOM    399  CD  PRO A 432      -9.660   3.903   2.236  1.00  0.00           C
ATOM      0  HA  PRO A 432      -7.502   4.142   4.713  1.00  0.00           H   new
ATOM      0  HB2 PRO A 432      -9.898   2.991   5.424  1.00  0.00           H   new
ATOM      0  HB3 PRO A 432      -9.777   4.705   5.080  1.00  0.00           H   new
ATOM      0  HG2 PRO A 432     -10.840   2.498   3.360  1.00  0.00           H   new
ATOM      0  HG3 PRO A 432     -11.386   4.158   3.495  1.00  0.00           H   new
ATOM      0  HD2 PRO A 432      -9.831   3.219   1.405  1.00  0.00           H   new
ATOM      0  HD3 PRO A 432      -9.901   4.904   1.879  1.00  0.00           H   new
ATOM    407  N   GLN A 433      -8.330   1.102   3.713  1.00  0.00           N
ATOM    408  CA  GLN A 433      -7.895  -0.318   3.899  1.00  0.00           C
ATOM    409  C   GLN A 433      -6.505  -0.566   3.268  1.00  0.00           C
ATOM    410  O   GLN A 433      -5.829  -1.509   3.632  1.00  0.00           O
ATOM    411  CB  GLN A 433      -8.989  -1.213   3.264  1.00  0.00           C
ATOM    412  CG  GLN A 433      -9.040  -1.050   1.733  1.00  0.00           C
ATOM    413  CD  GLN A 433      -7.885  -1.814   1.088  1.00  0.00           C
ATOM    414  OE1 GLN A 433      -7.139  -1.256   0.309  1.00  0.00           O
ATOM    415  NE2 GLN A 433      -7.695  -3.072   1.372  1.00  0.00           N
ATOM      0  H   GLN A 433      -9.098   1.239   3.056  1.00  0.00           H   new
ATOM      0  HA  GLN A 433      -7.785  -0.555   4.957  1.00  0.00           H   new
ATOM      0  HB2 GLN A 433      -8.795  -2.256   3.513  1.00  0.00           H   new
ATOM      0  HB3 GLN A 433      -9.960  -0.959   3.690  1.00  0.00           H   new
ATOM      0  HG2 GLN A 433      -9.991  -1.421   1.351  1.00  0.00           H   new
ATOM      0  HG3 GLN A 433      -8.981   0.006   1.469  1.00  0.00           H   new
ATOM      0 HE21 GLN A 433      -8.318  -3.547   2.025  1.00  0.00           H   new
ATOM      0 HE22 GLN A 433      -6.924  -3.581   0.941  1.00  0.00           H   new
ATOM    424  N   HIS A 434      -6.065   0.257   2.328  1.00  0.00           N
ATOM    425  CA  HIS A 434      -4.708   0.014   1.723  1.00  0.00           C
ATOM    426  C   HIS A 434      -3.644   0.240   2.814  1.00  0.00           C
ATOM    427  O   HIS A 434      -2.838  -0.624   3.094  1.00  0.00           O
ATOM    428  CB  HIS A 434      -4.562   1.029   0.578  1.00  0.00           C
ATOM    429  CG  HIS A 434      -3.360   0.680  -0.242  1.00  0.00           C
ATOM    430  ND1 HIS A 434      -3.146  -0.600  -0.737  1.00  0.00           N
ATOM    431  CD2 HIS A 434      -2.271   1.416  -0.621  1.00  0.00           C
ATOM    432  CE1 HIS A 434      -1.958  -0.590  -1.367  1.00  0.00           C
ATOM    433  NE2 HIS A 434      -1.394   0.614  -1.318  1.00  0.00           N
ATOM      0  H   HIS A 434      -6.573   1.063   1.965  1.00  0.00           H   new
ATOM      0  HA  HIS A 434      -4.587  -1.000   1.341  1.00  0.00           H   new
ATOM      0  HB2 HIS A 434      -5.456   1.022  -0.045  1.00  0.00           H   new
ATOM      0  HB3 HIS A 434      -4.462   2.037   0.981  1.00  0.00           H   new
ATOM      0  HD2 HIS A 434      -2.122   2.464  -0.407  1.00  0.00           H   new
ATOM      0  HE1 HIS A 434      -1.518  -1.449  -1.851  1.00  0.00           H   new
ATOM      0  HE2 HIS A 434      -0.495   0.888  -1.715  1.00  0.00           H   new
ATOM    441  N   LYS A 435      -3.646   1.407   3.439  1.00  0.00           N
ATOM    442  CA  LYS A 435      -2.626   1.689   4.532  1.00  0.00           C
ATOM    443  C   LYS A 435      -2.605   0.552   5.595  1.00  0.00           C
ATOM    444  O   LYS A 435      -1.592   0.320   6.228  1.00  0.00           O
ATOM    445  CB  LYS A 435      -3.028   3.025   5.179  1.00  0.00           C
ATOM    446  CG  LYS A 435      -2.419   4.180   4.377  1.00  0.00           C
ATOM    447  CD  LYS A 435      -3.408   4.619   3.294  1.00  0.00           C
ATOM    448  CE  LYS A 435      -2.967   5.946   2.678  1.00  0.00           C
ATOM    449  NZ  LYS A 435      -3.141   6.963   3.755  1.00  0.00           N
ATOM      0  H   LYS A 435      -4.297   2.168   3.247  1.00  0.00           H   new
ATOM      0  HA  LYS A 435      -1.622   1.740   4.111  1.00  0.00           H   new
ATOM      0  HB2 LYS A 435      -4.114   3.118   5.205  1.00  0.00           H   new
ATOM      0  HB3 LYS A 435      -2.681   3.061   6.212  1.00  0.00           H   new
ATOM      0  HG2 LYS A 435      -2.190   5.016   5.038  1.00  0.00           H   new
ATOM      0  HG3 LYS A 435      -1.479   3.867   3.922  1.00  0.00           H   new
ATOM      0  HD2 LYS A 435      -3.472   3.855   2.520  1.00  0.00           H   new
ATOM      0  HD3 LYS A 435      -4.405   4.723   3.723  1.00  0.00           H   new
ATOM      0  HE2 LYS A 435      -1.930   5.899   2.346  1.00  0.00           H   new
ATOM      0  HE3 LYS A 435      -3.570   6.193   1.804  1.00  0.00           H   new
ATOM      0  HZ1 LYS A 435      -3.375   7.883   3.330  1.00  0.00           H   new
ATOM      0  HZ2 LYS A 435      -3.911   6.669   4.389  1.00  0.00           H   new
ATOM      0  HZ3 LYS A 435      -2.258   7.048   4.298  1.00  0.00           H   new
ATOM    463  N   ILE A 436      -3.687  -0.195   5.750  1.00  0.00           N
ATOM    464  CA  ILE A 436      -3.673  -1.348   6.718  1.00  0.00           C
ATOM    465  C   ILE A 436      -3.396  -2.679   5.955  1.00  0.00           C
ATOM    466  O   ILE A 436      -2.800  -3.585   6.502  1.00  0.00           O
ATOM    467  CB  ILE A 436      -5.029  -1.344   7.520  1.00  0.00           C
ATOM    468  CG1 ILE A 436      -5.357  -2.755   8.083  1.00  0.00           C
ATOM    469  CG2 ILE A 436      -6.219  -0.831   6.697  1.00  0.00           C
ATOM    470  CD1 ILE A 436      -6.006  -3.650   7.007  1.00  0.00           C
ATOM      0  H   ILE A 436      -4.567  -0.056   5.253  1.00  0.00           H   new
ATOM      0  HA  ILE A 436      -2.866  -1.249   7.444  1.00  0.00           H   new
ATOM      0  HB  ILE A 436      -4.877  -0.648   8.345  1.00  0.00           H   new
ATOM      0 HG12 ILE A 436      -4.444  -3.225   8.448  1.00  0.00           H   new
ATOM      0 HG13 ILE A 436      -6.030  -2.662   8.936  1.00  0.00           H   new
ATOM      0 HG21 ILE A 436      -7.121  -0.854   7.308  1.00  0.00           H   new
ATOM      0 HG22 ILE A 436      -6.025   0.192   6.375  1.00  0.00           H   new
ATOM      0 HG23 ILE A 436      -6.357  -1.466   5.822  1.00  0.00           H   new
ATOM      0 HD11 ILE A 436      -6.223  -4.630   7.432  1.00  0.00           H   new
ATOM      0 HD12 ILE A 436      -6.932  -3.191   6.662  1.00  0.00           H   new
ATOM      0 HD13 ILE A 436      -5.322  -3.763   6.166  1.00  0.00           H   new
ATOM    482  N   GLU A 437      -3.847  -2.817   4.718  1.00  0.00           N
ATOM    483  CA  GLU A 437      -3.619  -4.113   3.972  1.00  0.00           C
ATOM    484  C   GLU A 437      -2.178  -4.271   3.454  1.00  0.00           C
ATOM    485  O   GLU A 437      -1.584  -5.313   3.646  1.00  0.00           O
ATOM    486  CB  GLU A 437      -4.601  -4.121   2.791  1.00  0.00           C
ATOM    487  CG  GLU A 437      -5.920  -4.773   3.231  1.00  0.00           C
ATOM    488  CD  GLU A 437      -6.348  -5.832   2.212  1.00  0.00           C
ATOM    489  OE1 GLU A 437      -5.503  -6.615   1.810  1.00  0.00           O
ATOM    490  OE2 GLU A 437      -7.515  -5.844   1.854  1.00  0.00           O
ATOM      0  H   GLU A 437      -4.355  -2.100   4.200  1.00  0.00           H   new
ATOM      0  HA  GLU A 437      -3.782  -4.947   4.654  1.00  0.00           H   new
ATOM      0  HB2 GLU A 437      -4.782  -3.103   2.447  1.00  0.00           H   new
ATOM      0  HB3 GLU A 437      -4.173  -4.669   1.952  1.00  0.00           H   new
ATOM      0  HG2 GLU A 437      -5.799  -5.230   4.213  1.00  0.00           H   new
ATOM      0  HG3 GLU A 437      -6.696  -4.014   3.326  1.00  0.00           H   new
ATOM    497  N   TYR A 438      -1.615  -3.299   2.761  1.00  0.00           N
ATOM    498  CA  TYR A 438      -0.235  -3.496   2.213  1.00  0.00           C
ATOM    499  C   TYR A 438       0.764  -2.416   2.679  1.00  0.00           C
ATOM    500  O   TYR A 438       0.500  -1.233   2.588  1.00  0.00           O
ATOM    501  CB  TYR A 438      -0.423  -3.418   0.704  1.00  0.00           C
ATOM    502  CG  TYR A 438      -1.262  -4.584   0.239  1.00  0.00           C
ATOM    503  CD1 TYR A 438      -0.746  -5.903   0.320  1.00  0.00           C
ATOM    504  CD2 TYR A 438      -2.566  -4.362  -0.279  1.00  0.00           C
ATOM    505  CE1 TYR A 438      -1.533  -7.002  -0.117  1.00  0.00           C
ATOM    506  CE2 TYR A 438      -3.353  -5.460  -0.717  1.00  0.00           C
ATOM    507  CZ  TYR A 438      -2.837  -6.780  -0.636  1.00  0.00           C
ATOM    508  OH  TYR A 438      -3.600  -7.848  -1.061  1.00  0.00           O
ATOM      0  H   TYR A 438      -2.045  -2.397   2.557  1.00  0.00           H   new
ATOM      0  HA  TYR A 438       0.190  -4.439   2.558  1.00  0.00           H   new
ATOM      0  HB2 TYR A 438      -0.906  -2.479   0.435  1.00  0.00           H   new
ATOM      0  HB3 TYR A 438       0.546  -3.432   0.205  1.00  0.00           H   new
ATOM      0  HD1 TYR A 438       0.245  -6.072   0.714  1.00  0.00           H   new
ATOM      0  HD2 TYR A 438      -2.959  -3.358  -0.340  1.00  0.00           H   new
ATOM      0  HE1 TYR A 438      -1.140  -8.006  -0.055  1.00  0.00           H   new
ATOM      0  HE2 TYR A 438      -4.344  -5.291  -1.112  1.00  0.00           H   new
ATOM      0  HH  TYR A 438      -4.465  -7.523  -1.386  1.00  0.00           H   new
ATOM    518  N   ARG A 439       1.919  -2.827   3.171  1.00  0.00           N
ATOM    519  CA  ARG A 439       2.950  -1.824   3.634  1.00  0.00           C
ATOM    520  C   ARG A 439       3.768  -1.288   2.442  1.00  0.00           C
ATOM    521  O   ARG A 439       3.711  -1.829   1.354  1.00  0.00           O
ATOM    522  CB  ARG A 439       3.889  -2.564   4.621  1.00  0.00           C
ATOM    523  CG  ARG A 439       4.663  -3.686   3.906  1.00  0.00           C
ATOM    524  CD  ARG A 439       5.737  -4.241   4.848  1.00  0.00           C
ATOM    525  NE  ARG A 439       6.561  -5.209   4.035  1.00  0.00           N
ATOM    526  CZ  ARG A 439       7.270  -6.162   4.623  1.00  0.00           C
ATOM    527  NH1 ARG A 439       7.309  -6.282   5.931  1.00  0.00           N
ATOM    528  NH2 ARG A 439       7.962  -6.997   3.890  1.00  0.00           N
ATOM      0  H   ARG A 439       2.192  -3.805   3.272  1.00  0.00           H   new
ATOM      0  HA  ARG A 439       2.463  -0.973   4.109  1.00  0.00           H   new
ATOM      0  HB2 ARG A 439       4.591  -1.856   5.061  1.00  0.00           H   new
ATOM      0  HB3 ARG A 439       3.305  -2.984   5.439  1.00  0.00           H   new
ATOM      0  HG2 ARG A 439       3.980  -4.481   3.606  1.00  0.00           H   new
ATOM      0  HG3 ARG A 439       5.124  -3.302   2.996  1.00  0.00           H   new
ATOM      0  HD2 ARG A 439       6.359  -3.438   5.243  1.00  0.00           H   new
ATOM      0  HD3 ARG A 439       5.282  -4.741   5.703  1.00  0.00           H   new
ATOM      0  HE  ARG A 439       6.573  -5.129   3.018  1.00  0.00           H   new
ATOM      0 HH11 ARG A 439       6.786  -5.633   6.519  1.00  0.00           H   new
ATOM      0 HH12 ARG A 439       7.862  -7.024   6.359  1.00  0.00           H   new
ATOM      0 HH21 ARG A 439       7.953  -6.912   2.874  1.00  0.00           H   new
ATOM      0 HH22 ARG A 439       8.510  -7.733   4.335  1.00  0.00           H   new
ATOM    542  N   HIS A 440       4.540  -0.237   2.645  1.00  0.00           N
ATOM    543  CA  HIS A 440       5.372   0.318   1.528  1.00  0.00           C
ATOM    544  C   HIS A 440       6.838   0.475   1.967  1.00  0.00           C
ATOM    545  O   HIS A 440       7.536   1.344   1.476  1.00  0.00           O
ATOM    546  CB  HIS A 440       4.775   1.690   1.217  1.00  0.00           C
ATOM    547  CG  HIS A 440       3.356   1.517   0.767  1.00  0.00           C
ATOM    548  ND1 HIS A 440       2.327   1.270   1.664  1.00  0.00           N
ATOM    549  CD2 HIS A 440       2.782   1.499  -0.478  1.00  0.00           C
ATOM    550  CE1 HIS A 440       1.201   1.106   0.950  1.00  0.00           C
ATOM    551  NE2 HIS A 440       1.430   1.235  -0.357  1.00  0.00           N
ATOM      0  H   HIS A 440       4.627   0.256   3.534  1.00  0.00           H   new
ATOM      0  HA  HIS A 440       5.364  -0.342   0.661  1.00  0.00           H   new
ATOM      0  HB2 HIS A 440       4.814   2.326   2.101  1.00  0.00           H   new
ATOM      0  HB3 HIS A 440       5.358   2.186   0.441  1.00  0.00           H   new
ATOM      0  HD1 HIS A 440       2.410   1.222   2.679  1.00  0.00           H   new
ATOM      0  HD2 HIS A 440       3.305   1.665  -1.408  1.00  0.00           H   new
ATOM      0  HE1 HIS A 440       0.233   0.896   1.380  1.00  0.00           H   new