USER  MOD reduce.3.24.130724 H: found=0, std=0, add=178, rem=0, adj=7
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 -170:sc=   -1.84
USER  MOD Set 1.2: A 427 CYS SG  :   rot -139:sc= -0.0765
USER  MOD Set 1.3: A 434 HIS     :     no HD1:sc=   -2.56  K(o=-4.8,f=-7.2!)
USER  MOD Set 1.4: A 440 HIS     :     no HE2:sc=  -0.346  K(o=-4.8,f=-8.6)
USER  MOD Single : A 423 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A 426 SER OG  :   rot  180:sc=       0
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=-0.24)
USER  MOD Single : A 433 GLN     :      amide:sc=   -3.15! C(o=-3.1!,f=-2.8!)
USER  MOD Single : A 435 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A 438 TYR OH  :   rot  180:sc=       0
USER  MOD -----------------------------------------------------------------
ATOM    196  N   PRO A 419       1.967  -7.490   4.762  1.00  0.00           N
ATOM    197  CA  PRO A 419       2.685  -8.210   3.682  1.00  0.00           C
ATOM    198  C   PRO A 419       3.444  -7.220   2.758  1.00  0.00           C
ATOM    199  O   PRO A 419       4.580  -6.900   3.039  1.00  0.00           O
ATOM    200  CB  PRO A 419       1.576  -8.992   2.969  1.00  0.00           C
ATOM    201  CG  PRO A 419       0.318  -8.232   3.251  1.00  0.00           C
ATOM    202  CD  PRO A 419       0.506  -7.532   4.575  1.00  0.00           C
ATOM      0  HA  PRO A 419       3.467  -8.877   4.044  1.00  0.00           H   new
ATOM      0  HB2 PRO A 419       1.766  -9.056   1.898  1.00  0.00           H   new
ATOM      0  HB3 PRO A 419       1.511 -10.014   3.343  1.00  0.00           H   new
ATOM      0  HG2 PRO A 419       0.119  -7.510   2.459  1.00  0.00           H   new
ATOM      0  HG3 PRO A 419      -0.538  -8.906   3.290  1.00  0.00           H   new
ATOM      0  HD2 PRO A 419       0.078  -6.530   4.559  1.00  0.00           H   new
ATOM      0  HD3 PRO A 419       0.017  -8.074   5.384  1.00  0.00           H   new
ATOM    210  N   GLU A 420       2.857  -6.727   1.671  1.00  0.00           N
ATOM    211  CA  GLU A 420       3.607  -5.768   0.779  1.00  0.00           C
ATOM    212  C   GLU A 420       2.741  -5.284  -0.400  1.00  0.00           C
ATOM    213  O   GLU A 420       2.265  -6.080  -1.186  1.00  0.00           O
ATOM    214  CB  GLU A 420       4.808  -6.556   0.225  1.00  0.00           C
ATOM    215  CG  GLU A 420       4.319  -7.822  -0.498  1.00  0.00           C
ATOM    216  CD  GLU A 420       5.184  -9.018  -0.093  1.00  0.00           C
ATOM    217  OE1 GLU A 420       4.839  -9.672   0.877  1.00  0.00           O
ATOM    218  OE2 GLU A 420       6.176  -9.259  -0.761  1.00  0.00           O
ATOM      0  H   GLU A 420       1.907  -6.946   1.372  1.00  0.00           H   new
ATOM      0  HA  GLU A 420       3.903  -4.885   1.345  1.00  0.00           H   new
ATOM      0  HB2 GLU A 420       5.377  -5.931  -0.463  1.00  0.00           H   new
ATOM      0  HB3 GLU A 420       5.481  -6.829   1.038  1.00  0.00           H   new
ATOM      0  HG2 GLU A 420       3.276  -8.015  -0.248  1.00  0.00           H   new
ATOM      0  HG3 GLU A 420       4.366  -7.677  -1.577  1.00  0.00           H   new
ATOM    225  N   CYS A 421       2.565  -3.987  -0.553  1.00  0.00           N
ATOM    226  CA  CYS A 421       1.759  -3.466  -1.723  1.00  0.00           C
ATOM    227  C   CYS A 421       2.517  -3.754  -3.037  1.00  0.00           C
ATOM    228  O   CYS A 421       3.729  -3.667  -3.072  1.00  0.00           O
ATOM    229  CB  CYS A 421       1.628  -1.942  -1.472  1.00  0.00           C
ATOM    230  SG  CYS A 421       0.922  -1.080  -2.901  1.00  0.00           S
ATOM      0  H   CYS A 421       2.938  -3.271   0.071  1.00  0.00           H   new
ATOM      0  HA  CYS A 421       0.780  -3.938  -1.811  1.00  0.00           H   new
ATOM      0  HB2 CYS A 421       1.000  -1.771  -0.598  1.00  0.00           H   new
ATOM      0  HB3 CYS A 421       2.610  -1.526  -1.245  1.00  0.00           H   new
ATOM      0  HG  CYS A 421       1.028   0.204  -2.729  1.00  0.00           H   new
ATOM    235  N   PRO A 422       1.785  -4.081  -4.086  1.00  0.00           N
ATOM    236  CA  PRO A 422       2.433  -4.367  -5.396  1.00  0.00           C
ATOM    237  C   PRO A 422       3.070  -3.089  -5.969  1.00  0.00           C
ATOM    238  O   PRO A 422       4.176  -3.122  -6.476  1.00  0.00           O
ATOM    239  CB  PRO A 422       1.278  -4.853  -6.272  1.00  0.00           C
ATOM    240  CG  PRO A 422       0.053  -4.269  -5.648  1.00  0.00           C
ATOM    241  CD  PRO A 422       0.319  -4.214  -4.167  1.00  0.00           C
ATOM      0  HA  PRO A 422       3.239  -5.098  -5.328  1.00  0.00           H   new
ATOM      0  HB2 PRO A 422       1.395  -4.518  -7.303  1.00  0.00           H   new
ATOM      0  HB3 PRO A 422       1.230  -5.942  -6.295  1.00  0.00           H   new
ATOM      0  HG2 PRO A 422      -0.149  -3.274  -6.044  1.00  0.00           H   new
ATOM      0  HG3 PRO A 422      -0.823  -4.881  -5.863  1.00  0.00           H   new
ATOM      0  HD2 PRO A 422      -0.187  -3.370  -3.699  1.00  0.00           H   new
ATOM      0  HD3 PRO A 422      -0.031  -5.115  -3.663  1.00  0.00           H   new
ATOM    249  N   TYR A 423       2.390  -1.959  -5.888  1.00  0.00           N
ATOM    250  CA  TYR A 423       2.984  -0.674  -6.430  1.00  0.00           C
ATOM    251  C   TYR A 423       4.407  -0.468  -5.866  1.00  0.00           C
ATOM    252  O   TYR A 423       5.336  -0.199  -6.606  1.00  0.00           O
ATOM    253  CB  TYR A 423       2.066   0.477  -5.970  1.00  0.00           C
ATOM    254  CG  TYR A 423       0.673   0.287  -6.531  1.00  0.00           C
ATOM    255  CD1 TYR A 423       0.489   0.034  -7.918  1.00  0.00           C
ATOM    256  CD2 TYR A 423      -0.453   0.357  -5.665  1.00  0.00           C
ATOM    257  CE1 TYR A 423      -0.821  -0.149  -8.438  1.00  0.00           C
ATOM    258  CE2 TYR A 423      -1.762   0.172  -6.187  1.00  0.00           C
ATOM    259  CZ  TYR A 423      -1.946  -0.080  -7.573  1.00  0.00           C
ATOM    260  OH  TYR A 423      -3.217  -0.258  -8.079  1.00  0.00           O
ATOM      0  H   TYR A 423       1.461  -1.867  -5.476  1.00  0.00           H   new
ATOM      0  HA  TYR A 423       3.054  -0.708  -7.517  1.00  0.00           H   new
ATOM      0  HB2 TYR A 423       2.027   0.508  -4.881  1.00  0.00           H   new
ATOM      0  HB3 TYR A 423       2.473   1.432  -6.302  1.00  0.00           H   new
ATOM      0  HD1 TYR A 423       1.344  -0.019  -8.576  1.00  0.00           H   new
ATOM      0  HD2 TYR A 423      -0.314   0.551  -4.612  1.00  0.00           H   new
ATOM      0  HE1 TYR A 423      -0.961  -0.341  -9.492  1.00  0.00           H   new
ATOM      0  HE2 TYR A 423      -2.617   0.223  -5.530  1.00  0.00           H   new
ATOM      0  HH  TYR A 423      -3.872  -0.181  -7.354  1.00  0.00           H   new
ATOM    270  N   GLY A 424       4.587  -0.604  -4.565  1.00  0.00           N
ATOM    271  CA  GLY A 424       5.948  -0.430  -3.971  1.00  0.00           C
ATOM    272  C   GLY A 424       6.289   1.068  -3.872  1.00  0.00           C
ATOM    273  O   GLY A 424       5.511   1.832  -3.335  1.00  0.00           O
ATOM      0  H   GLY A 424       3.849  -0.827  -3.897  1.00  0.00           H   new
ATOM      0  HA2 GLY A 424       5.984  -0.886  -2.982  1.00  0.00           H   new
ATOM      0  HA3 GLY A 424       6.690  -0.941  -4.584  1.00  0.00           H   new
ATOM    277  N   PRO A 425       7.439   1.457  -4.391  1.00  0.00           N
ATOM    278  CA  PRO A 425       7.840   2.889  -4.336  1.00  0.00           C
ATOM    279  C   PRO A 425       6.921   3.746  -5.225  1.00  0.00           C
ATOM    280  O   PRO A 425       6.674   4.899  -4.925  1.00  0.00           O
ATOM    281  CB  PRO A 425       9.273   2.887  -4.865  1.00  0.00           C
ATOM    282  CG  PRO A 425       9.366   1.657  -5.706  1.00  0.00           C
ATOM    283  CD  PRO A 425       8.460   0.638  -5.070  1.00  0.00           C
ATOM      0  HA  PRO A 425       7.765   3.313  -3.335  1.00  0.00           H   new
ATOM      0  HB2 PRO A 425       9.480   3.783  -5.450  1.00  0.00           H   new
ATOM      0  HB3 PRO A 425       9.996   2.865  -4.050  1.00  0.00           H   new
ATOM      0  HG2 PRO A 425       9.059   1.863  -6.731  1.00  0.00           H   new
ATOM      0  HG3 PRO A 425      10.392   1.292  -5.748  1.00  0.00           H   new
ATOM      0  HD2 PRO A 425       8.014  -0.022  -5.814  1.00  0.00           H   new
ATOM      0  HD3 PRO A 425       9.000   0.006  -4.365  1.00  0.00           H   new
ATOM    291  N   SER A 426       6.410   3.205  -6.317  1.00  0.00           N
ATOM    292  CA  SER A 426       5.511   4.015  -7.209  1.00  0.00           C
ATOM    293  C   SER A 426       4.039   3.845  -6.804  1.00  0.00           C
ATOM    294  O   SER A 426       3.185   3.637  -7.646  1.00  0.00           O
ATOM    295  CB  SER A 426       5.740   3.498  -8.635  1.00  0.00           C
ATOM    296  OG  SER A 426       6.912   4.096  -9.170  1.00  0.00           O
ATOM      0  H   SER A 426       6.576   2.247  -6.624  1.00  0.00           H   new
ATOM      0  HA  SER A 426       5.738   5.078  -7.131  1.00  0.00           H   new
ATOM      0  HB2 SER A 426       5.842   2.413  -8.628  1.00  0.00           H   new
ATOM      0  HB3 SER A 426       4.880   3.733  -9.262  1.00  0.00           H   new
ATOM      0  HG  SER A 426       7.061   3.766 -10.081  1.00  0.00           H   new
ATOM    302  N   CYS A 427       3.726   3.970  -5.530  1.00  0.00           N
ATOM    303  CA  CYS A 427       2.315   3.862  -5.095  1.00  0.00           C
ATOM    304  C   CYS A 427       1.794   5.277  -4.823  1.00  0.00           C
ATOM    305  O   CYS A 427       2.358   6.007  -4.029  1.00  0.00           O
ATOM    306  CB  CYS A 427       2.292   3.036  -3.812  1.00  0.00           C
ATOM    307  SG  CYS A 427       0.562   2.728  -3.381  1.00  0.00           S
ATOM      0  H   CYS A 427       4.397   4.142  -4.782  1.00  0.00           H   new
ATOM      0  HA  CYS A 427       1.691   3.387  -5.851  1.00  0.00           H   new
ATOM      0  HB2 CYS A 427       2.823   2.095  -3.954  1.00  0.00           H   new
ATOM      0  HB3 CYS A 427       2.797   3.568  -3.006  1.00  0.00           H   new
ATOM      0  HG  CYS A 427       0.406   2.853  -2.096  1.00  0.00           H   new
ATOM    312  N   TYR A 428       0.733   5.668  -5.473  1.00  0.00           N
ATOM    313  CA  TYR A 428       0.183   7.045  -5.251  1.00  0.00           C
ATOM    314  C   TYR A 428      -1.339   7.027  -5.015  1.00  0.00           C
ATOM    315  O   TYR A 428      -2.013   7.999  -5.305  1.00  0.00           O
ATOM    316  CB  TYR A 428       0.523   7.839  -6.522  1.00  0.00           C
ATOM    317  CG  TYR A 428       0.010   7.116  -7.747  1.00  0.00           C
ATOM    318  CD1 TYR A 428      -1.330   7.304  -8.178  1.00  0.00           C
ATOM    319  CD2 TYR A 428       0.873   6.246  -8.466  1.00  0.00           C
ATOM    320  CE1 TYR A 428      -1.807   6.620  -9.330  1.00  0.00           C
ATOM    321  CE2 TYR A 428       0.398   5.564  -9.616  1.00  0.00           C
ATOM    322  CZ  TYR A 428      -0.943   5.751 -10.049  1.00  0.00           C
ATOM    323  OH  TYR A 428      -1.406   5.086 -11.167  1.00  0.00           O
ATOM      0  H   TYR A 428       0.221   5.099  -6.147  1.00  0.00           H   new
ATOM      0  HA  TYR A 428       0.618   7.494  -4.358  1.00  0.00           H   new
ATOM      0  HB2 TYR A 428       0.080   8.834  -6.467  1.00  0.00           H   new
ATOM      0  HB3 TYR A 428       1.602   7.974  -6.597  1.00  0.00           H   new
ATOM      0  HD1 TYR A 428      -1.986   7.966  -7.632  1.00  0.00           H   new
ATOM      0  HD2 TYR A 428       1.892   6.104  -8.137  1.00  0.00           H   new
ATOM      0  HE1 TYR A 428      -2.826   6.761  -9.658  1.00  0.00           H   new
ATOM      0  HE2 TYR A 428       1.055   4.903 -10.162  1.00  0.00           H   new
ATOM      0  HH  TYR A 428      -0.687   4.534 -11.540  1.00  0.00           H   new
ATOM    333  N   ARG A 429      -1.896   5.950  -4.488  1.00  0.00           N
ATOM    334  CA  ARG A 429      -3.380   5.929  -4.242  1.00  0.00           C
ATOM    335  C   ARG A 429      -3.686   6.353  -2.792  1.00  0.00           C
ATOM    336  O   ARG A 429      -2.805   6.367  -1.952  1.00  0.00           O
ATOM    337  CB  ARG A 429      -3.849   4.481  -4.525  1.00  0.00           C
ATOM    338  CG  ARG A 429      -3.424   3.517  -3.405  1.00  0.00           C
ATOM    339  CD  ARG A 429      -3.599   2.071  -3.881  1.00  0.00           C
ATOM    340  NE  ARG A 429      -5.040   1.750  -3.628  1.00  0.00           N
ATOM    341  CZ  ARG A 429      -5.974   1.942  -4.550  1.00  0.00           C
ATOM    342  NH1 ARG A 429      -5.690   2.437  -5.733  1.00  0.00           N
ATOM    343  NH2 ARG A 429      -7.217   1.637  -4.279  1.00  0.00           N
ATOM      0  H   ARG A 429      -1.396   5.101  -4.223  1.00  0.00           H   new
ATOM      0  HA  ARG A 429      -3.907   6.631  -4.888  1.00  0.00           H   new
ATOM      0  HB2 ARG A 429      -4.934   4.463  -4.628  1.00  0.00           H   new
ATOM      0  HB3 ARG A 429      -3.433   4.143  -5.474  1.00  0.00           H   new
ATOM      0  HG2 ARG A 429      -2.385   3.697  -3.130  1.00  0.00           H   new
ATOM      0  HG3 ARG A 429      -4.025   3.692  -2.512  1.00  0.00           H   new
ATOM      0  HD2 ARG A 429      -3.352   1.971  -4.938  1.00  0.00           H   new
ATOM      0  HD3 ARG A 429      -2.942   1.394  -3.335  1.00  0.00           H   new
ATOM      0  HE  ARG A 429      -5.311   1.373  -2.720  1.00  0.00           H   new
ATOM      0 HH11 ARG A 429      -4.728   2.686  -5.964  1.00  0.00           H   new
ATOM      0 HH12 ARG A 429      -6.431   2.573  -6.420  1.00  0.00           H   new
ATOM      0 HH21 ARG A 429      -7.461   1.255  -3.365  1.00  0.00           H   new
ATOM      0 HH22 ARG A 429      -7.942   1.781  -4.982  1.00  0.00           H   new
ATOM    357  N   LYS A 430      -4.922   6.700  -2.491  1.00  0.00           N
ATOM    358  CA  LYS A 430      -5.260   7.120  -1.098  1.00  0.00           C
ATOM    359  C   LYS A 430      -6.482   6.341  -0.581  1.00  0.00           C
ATOM    360  O   LYS A 430      -7.605   6.791  -0.709  1.00  0.00           O
ATOM    361  CB  LYS A 430      -5.583   8.612  -1.199  1.00  0.00           C
ATOM    362  CG  LYS A 430      -5.348   9.276   0.160  1.00  0.00           C
ATOM    363  CD  LYS A 430      -5.135  10.779  -0.034  1.00  0.00           C
ATOM    364  CE  LYS A 430      -5.509  11.518   1.253  1.00  0.00           C
ATOM    365  NZ  LYS A 430      -5.400  12.964   0.913  1.00  0.00           N
ATOM      0  H   LYS A 430      -5.701   6.709  -3.149  1.00  0.00           H   new
ATOM      0  HA  LYS A 430      -4.443   6.923  -0.403  1.00  0.00           H   new
ATOM      0  HB2 LYS A 430      -4.957   9.080  -1.958  1.00  0.00           H   new
ATOM      0  HB3 LYS A 430      -6.618   8.751  -1.510  1.00  0.00           H   new
ATOM      0  HG2 LYS A 430      -6.202   9.101   0.814  1.00  0.00           H   new
ATOM      0  HG3 LYS A 430      -4.478   8.835   0.646  1.00  0.00           H   new
ATOM      0  HD2 LYS A 430      -4.095  10.979  -0.292  1.00  0.00           H   new
ATOM      0  HD3 LYS A 430      -5.744  11.139  -0.863  1.00  0.00           H   new
ATOM      0  HE2 LYS A 430      -6.519  11.263   1.575  1.00  0.00           H   new
ATOM      0  HE3 LYS A 430      -4.838  11.253   2.070  1.00  0.00           H   new
ATOM      0  HZ1 LYS A 430      -5.642  13.536   1.747  1.00  0.00           H   new
ATOM      0  HZ2 LYS A 430      -4.426  13.178   0.617  1.00  0.00           H   new
ATOM      0  HZ3 LYS A 430      -6.055  13.189   0.137  1.00  0.00           H   new
ATOM    379  N   ASN A 431      -6.273   5.181   0.008  1.00  0.00           N
ATOM    380  CA  ASN A 431      -7.425   4.388   0.533  1.00  0.00           C
ATOM    381  C   ASN A 431      -7.219   4.099   2.030  1.00  0.00           C
ATOM    382  O   ASN A 431      -6.097   4.072   2.496  1.00  0.00           O
ATOM    383  CB  ASN A 431      -7.414   3.086  -0.270  1.00  0.00           C
ATOM    384  CG  ASN A 431      -8.326   3.232  -1.496  1.00  0.00           C
ATOM    385  OD1 ASN A 431      -8.061   4.036  -2.367  1.00  0.00           O
ATOM    386  ND2 ASN A 431      -9.398   2.483  -1.607  1.00  0.00           N
ATOM      0  H   ASN A 431      -5.356   4.756   0.145  1.00  0.00           H   new
ATOM      0  HA  ASN A 431      -8.373   4.916   0.433  1.00  0.00           H   new
ATOM      0  HB2 ASN A 431      -6.398   2.850  -0.586  1.00  0.00           H   new
ATOM      0  HB3 ASN A 431      -7.755   2.259   0.353  1.00  0.00           H   new
ATOM      0 HD21 ASN A 431     -10.004   2.578  -2.422  1.00  0.00           H   new
ATOM      0 HD22 ASN A 431      -9.625   1.806  -0.878  1.00  0.00           H   new
ATOM    393  N   PRO A 432      -8.305   3.891   2.745  1.00  0.00           N
ATOM    394  CA  PRO A 432      -8.197   3.605   4.197  1.00  0.00           C
ATOM    395  C   PRO A 432      -7.687   2.173   4.422  1.00  0.00           C
ATOM    396  O   PRO A 432      -6.791   1.951   5.215  1.00  0.00           O
ATOM    397  CB  PRO A 432      -9.628   3.766   4.705  1.00  0.00           C
ATOM    398  CG  PRO A 432     -10.502   3.525   3.514  1.00  0.00           C
ATOM    399  CD  PRO A 432      -9.706   3.899   2.289  1.00  0.00           C
ATOM      0  HA  PRO A 432      -7.496   4.260   4.714  1.00  0.00           H   new
ATOM      0  HB2 PRO A 432      -9.845   3.054   5.502  1.00  0.00           H   new
ATOM      0  HB3 PRO A 432      -9.789   4.763   5.116  1.00  0.00           H   new
ATOM      0  HG2 PRO A 432     -10.809   2.480   3.468  1.00  0.00           H   new
ATOM      0  HG3 PRO A 432     -11.412   4.122   3.578  1.00  0.00           H   new
ATOM      0  HD2 PRO A 432      -9.864   3.186   1.480  1.00  0.00           H   new
ATOM      0  HD3 PRO A 432      -9.995   4.880   1.911  1.00  0.00           H   new
ATOM    407  N   GLN A 433      -8.240   1.200   3.727  1.00  0.00           N
ATOM    408  CA  GLN A 433      -7.770  -0.204   3.904  1.00  0.00           C
ATOM    409  C   GLN A 433      -6.458  -0.462   3.122  1.00  0.00           C
ATOM    410  O   GLN A 433      -5.787  -1.448   3.367  1.00  0.00           O
ATOM    411  CB  GLN A 433      -8.929  -1.114   3.427  1.00  0.00           C
ATOM    412  CG  GLN A 433      -9.093  -1.069   1.894  1.00  0.00           C
ATOM    413  CD  GLN A 433      -8.039  -1.956   1.227  1.00  0.00           C
ATOM    414  OE1 GLN A 433      -7.364  -1.522   0.315  1.00  0.00           O
ATOM    415  NE2 GLN A 433      -7.861  -3.185   1.631  1.00  0.00           N
ATOM      0  H   GLN A 433      -8.993   1.324   3.050  1.00  0.00           H   new
ATOM      0  HA  GLN A 433      -7.528  -0.414   4.946  1.00  0.00           H   new
ATOM      0  HB2 GLN A 433      -8.740  -2.140   3.743  1.00  0.00           H   new
ATOM      0  HB3 GLN A 433      -9.858  -0.800   3.902  1.00  0.00           H   new
ATOM      0  HG2 GLN A 433     -10.092  -1.406   1.617  1.00  0.00           H   new
ATOM      0  HG3 GLN A 433      -8.993  -0.043   1.540  1.00  0.00           H   new
ATOM      0 HE21 GLN A 433      -8.424  -3.557   2.396  1.00  0.00           H   new
ATOM      0 HE22 GLN A 433      -7.159  -3.773   1.181  1.00  0.00           H   new
ATOM    424  N   HIS A 434      -6.077   0.401   2.185  1.00  0.00           N
ATOM    425  CA  HIS A 434      -4.802   0.151   1.420  1.00  0.00           C
ATOM    426  C   HIS A 434      -3.560   0.444   2.287  1.00  0.00           C
ATOM    427  O   HIS A 434      -2.518  -0.151   2.079  1.00  0.00           O
ATOM    428  CB  HIS A 434      -4.814   1.070   0.184  1.00  0.00           C
ATOM    429  CG  HIS A 434      -3.594   0.763  -0.640  1.00  0.00           C
ATOM    430  ND1 HIS A 434      -3.422  -0.464  -1.260  1.00  0.00           N
ATOM    431  CD2 HIS A 434      -2.437   1.466  -0.868  1.00  0.00           C
ATOM    432  CE1 HIS A 434      -2.195  -0.470  -1.809  1.00  0.00           C
ATOM    433  NE2 HIS A 434      -1.556   0.681  -1.596  1.00  0.00           N
ATOM      0  H   HIS A 434      -6.585   1.247   1.926  1.00  0.00           H   new
ATOM      0  HA  HIS A 434      -4.749  -0.897   1.126  1.00  0.00           H   new
ATOM      0  HB2 HIS A 434      -5.719   0.908  -0.402  1.00  0.00           H   new
ATOM      0  HB3 HIS A 434      -4.814   2.117   0.488  1.00  0.00           H   new
ATOM      0  HD2 HIS A 434      -2.243   2.474  -0.532  1.00  0.00           H   new
ATOM      0  HE1 HIS A 434      -1.778  -1.304  -2.355  1.00  0.00           H   new
ATOM      0  HE2 HIS A 434      -0.616   0.931  -1.904  1.00  0.00           H   new
ATOM    441  N   LYS A 435      -3.652   1.316   3.274  1.00  0.00           N
ATOM    442  CA  LYS A 435      -2.451   1.570   4.148  1.00  0.00           C
ATOM    443  C   LYS A 435      -2.355   0.478   5.237  1.00  0.00           C
ATOM    444  O   LYS A 435      -1.312   0.293   5.836  1.00  0.00           O
ATOM    445  CB  LYS A 435      -2.659   2.949   4.799  1.00  0.00           C
ATOM    446  CG  LYS A 435      -2.024   4.036   3.925  1.00  0.00           C
ATOM    447  CD  LYS A 435      -3.104   4.718   3.084  1.00  0.00           C
ATOM    448  CE  LYS A 435      -3.741   5.850   3.893  1.00  0.00           C
ATOM    449  NZ  LYS A 435      -2.947   7.063   3.550  1.00  0.00           N
ATOM      0  H   LYS A 435      -4.488   1.852   3.508  1.00  0.00           H   new
ATOM      0  HA  LYS A 435      -1.529   1.548   3.567  1.00  0.00           H   new
ATOM      0  HB2 LYS A 435      -3.724   3.146   4.924  1.00  0.00           H   new
ATOM      0  HB3 LYS A 435      -2.214   2.963   5.794  1.00  0.00           H   new
ATOM      0  HG2 LYS A 435      -1.519   4.771   4.552  1.00  0.00           H   new
ATOM      0  HG3 LYS A 435      -1.267   3.597   3.275  1.00  0.00           H   new
ATOM      0  HD2 LYS A 435      -2.670   5.113   2.166  1.00  0.00           H   new
ATOM      0  HD3 LYS A 435      -3.864   3.993   2.791  1.00  0.00           H   new
ATOM      0  HE2 LYS A 435      -4.791   5.979   3.632  1.00  0.00           H   new
ATOM      0  HE3 LYS A 435      -3.701   5.642   4.962  1.00  0.00           H   new
ATOM      0  HZ1 LYS A 435      -3.324   7.883   4.067  1.00  0.00           H   new
ATOM      0  HZ2 LYS A 435      -1.953   6.914   3.816  1.00  0.00           H   new
ATOM      0  HZ3 LYS A 435      -3.009   7.241   2.527  1.00  0.00           H   new
ATOM    463  N   ILE A 436      -3.427  -0.259   5.491  1.00  0.00           N
ATOM    464  CA  ILE A 436      -3.368  -1.343   6.533  1.00  0.00           C
ATOM    465  C   ILE A 436      -3.130  -2.719   5.870  1.00  0.00           C
ATOM    466  O   ILE A 436      -2.405  -3.538   6.404  1.00  0.00           O
ATOM    467  CB  ILE A 436      -4.697  -1.283   7.389  1.00  0.00           C
ATOM    468  CG1 ILE A 436      -5.044  -2.672   7.999  1.00  0.00           C
ATOM    469  CG2 ILE A 436      -5.914  -0.753   6.607  1.00  0.00           C
ATOM    470  CD1 ILE A 436      -5.758  -3.583   6.974  1.00  0.00           C
ATOM      0  H   ILE A 436      -4.328  -0.155   5.025  1.00  0.00           H   new
ATOM      0  HA  ILE A 436      -2.525  -1.190   7.207  1.00  0.00           H   new
ATOM      0  HB  ILE A 436      -4.487  -0.571   8.187  1.00  0.00           H   new
ATOM      0 HG12 ILE A 436      -4.131  -3.157   8.343  1.00  0.00           H   new
ATOM      0 HG13 ILE A 436      -5.682  -2.537   8.873  1.00  0.00           H   new
ATOM      0 HG21 ILE A 436      -6.788  -0.740   7.259  1.00  0.00           H   new
ATOM      0 HG22 ILE A 436      -5.709   0.258   6.256  1.00  0.00           H   new
ATOM      0 HG23 ILE A 436      -6.108  -1.401   5.752  1.00  0.00           H   new
ATOM      0 HD11 ILE A 436      -5.984  -4.544   7.437  1.00  0.00           H   new
ATOM      0 HD12 ILE A 436      -6.685  -3.109   6.650  1.00  0.00           H   new
ATOM      0 HD13 ILE A 436      -5.109  -3.739   6.112  1.00  0.00           H   new
ATOM    482  N   GLU A 437      -3.751  -3.001   4.743  1.00  0.00           N
ATOM    483  CA  GLU A 437      -3.556  -4.361   4.106  1.00  0.00           C
ATOM    484  C   GLU A 437      -2.153  -4.529   3.491  1.00  0.00           C
ATOM    485  O   GLU A 437      -1.642  -5.633   3.447  1.00  0.00           O
ATOM    486  CB  GLU A 437      -4.621  -4.498   3.000  1.00  0.00           C
ATOM    487  CG  GLU A 437      -5.858  -5.206   3.557  1.00  0.00           C
ATOM    488  CD  GLU A 437      -5.574  -6.703   3.698  1.00  0.00           C
ATOM    489  OE1 GLU A 437      -5.179  -7.307   2.714  1.00  0.00           O
ATOM    490  OE2 GLU A 437      -5.756  -7.221   4.788  1.00  0.00           O
ATOM      0  H   GLU A 437      -4.373  -2.367   4.241  1.00  0.00           H   new
ATOM      0  HA  GLU A 437      -3.656  -5.131   4.871  1.00  0.00           H   new
ATOM      0  HB2 GLU A 437      -4.894  -3.513   2.621  1.00  0.00           H   new
ATOM      0  HB3 GLU A 437      -4.216  -5.062   2.160  1.00  0.00           H   new
ATOM      0  HG2 GLU A 437      -6.126  -4.784   4.526  1.00  0.00           H   new
ATOM      0  HG3 GLU A 437      -6.709  -5.048   2.894  1.00  0.00           H   new
ATOM    497  N   TYR A 438      -1.532  -3.480   2.985  1.00  0.00           N
ATOM    498  CA  TYR A 438      -0.192  -3.656   2.355  1.00  0.00           C
ATOM    499  C   TYR A 438       0.816  -2.604   2.854  1.00  0.00           C
ATOM    500  O   TYR A 438       0.444  -1.508   3.230  1.00  0.00           O
ATOM    501  CB  TYR A 438      -0.461  -3.488   0.865  1.00  0.00           C
ATOM    502  CG  TYR A 438      -1.369  -4.600   0.395  1.00  0.00           C
ATOM    503  CD1 TYR A 438      -0.950  -5.953   0.505  1.00  0.00           C
ATOM    504  CD2 TYR A 438      -2.646  -4.294  -0.150  1.00  0.00           C
ATOM    505  CE1 TYR A 438      -1.805  -7.001   0.070  1.00  0.00           C
ATOM    506  CE2 TYR A 438      -3.502  -5.342  -0.586  1.00  0.00           C
ATOM    507  CZ  TYR A 438      -3.082  -6.694  -0.476  1.00  0.00           C
ATOM    508  OH  TYR A 438      -3.914  -7.711  -0.898  1.00  0.00           O
ATOM      0  H   TYR A 438      -1.895  -2.527   2.984  1.00  0.00           H   new
ATOM      0  HA  TYR A 438       0.253  -4.620   2.600  1.00  0.00           H   new
ATOM      0  HB2 TYR A 438      -0.923  -2.520   0.674  1.00  0.00           H   new
ATOM      0  HB3 TYR A 438       0.477  -3.509   0.310  1.00  0.00           H   new
ATOM      0  HD1 TYR A 438       0.020  -6.185   0.920  1.00  0.00           H   new
ATOM      0  HD2 TYR A 438      -2.966  -3.266  -0.233  1.00  0.00           H   new
ATOM      0  HE1 TYR A 438      -1.486  -8.029   0.154  1.00  0.00           H   new
ATOM      0  HE2 TYR A 438      -4.472  -5.110  -1.001  1.00  0.00           H   new
ATOM      0  HH  TYR A 438      -4.748  -7.329  -1.243  1.00  0.00           H   new
ATOM    518  N   ARG A 439       2.092  -2.945   2.874  1.00  0.00           N
ATOM    519  CA  ARG A 439       3.122  -1.977   3.368  1.00  0.00           C
ATOM    520  C   ARG A 439       4.050  -1.499   2.243  1.00  0.00           C
ATOM    521  O   ARG A 439       4.293  -2.199   1.279  1.00  0.00           O
ATOM    522  CB  ARG A 439       3.907  -2.727   4.455  1.00  0.00           C
ATOM    523  CG  ARG A 439       4.685  -3.909   3.861  1.00  0.00           C
ATOM    524  CD  ARG A 439       5.726  -4.400   4.882  1.00  0.00           C
ATOM    525  NE  ARG A 439       6.423  -5.576   4.246  1.00  0.00           N
ATOM    526  CZ  ARG A 439       6.955  -6.543   4.983  1.00  0.00           C
ATOM    527  NH1 ARG A 439       6.947  -6.494   6.297  1.00  0.00           N
ATOM    528  NH2 ARG A 439       7.522  -7.563   4.394  1.00  0.00           N
ATOM      0  H   ARG A 439       2.457  -3.848   2.570  1.00  0.00           H   new
ATOM      0  HA  ARG A 439       2.653  -1.074   3.758  1.00  0.00           H   new
ATOM      0  HB2 ARG A 439       4.599  -2.042   4.946  1.00  0.00           H   new
ATOM      0  HB3 ARG A 439       3.220  -3.088   5.220  1.00  0.00           H   new
ATOM      0  HG2 ARG A 439       4.000  -4.718   3.606  1.00  0.00           H   new
ATOM      0  HG3 ARG A 439       5.179  -3.606   2.938  1.00  0.00           H   new
ATOM      0  HD2 ARG A 439       6.438  -3.610   5.122  1.00  0.00           H   new
ATOM      0  HD3 ARG A 439       5.246  -4.691   5.816  1.00  0.00           H   new
ATOM      0  HE  ARG A 439       6.487  -5.629   3.229  1.00  0.00           H   new
ATOM      0 HH11 ARG A 439       6.524  -5.698   6.775  1.00  0.00           H   new
ATOM      0 HH12 ARG A 439       7.363  -7.252   6.838  1.00  0.00           H   new
ATOM      0 HH21 ARG A 439       7.553  -7.611   3.376  1.00  0.00           H   new
ATOM      0 HH22 ARG A 439       7.933  -8.311   4.953  1.00  0.00           H   new
ATOM    542  N   HIS A 440       4.589  -0.307   2.386  1.00  0.00           N
ATOM    543  CA  HIS A 440       5.525   0.233   1.362  1.00  0.00           C
ATOM    544  C   HIS A 440       6.897   0.367   2.037  1.00  0.00           C
ATOM    545  O   HIS A 440       7.180   1.373   2.654  1.00  0.00           O
ATOM    546  CB  HIS A 440       4.959   1.608   0.954  1.00  0.00           C
ATOM    547  CG  HIS A 440       3.512   1.469   0.530  1.00  0.00           C
ATOM    548  ND1 HIS A 440       2.479   1.377   1.455  1.00  0.00           N
ATOM    549  CD2 HIS A 440       2.913   1.374  -0.705  1.00  0.00           C
ATOM    550  CE1 HIS A 440       1.331   1.223   0.770  1.00  0.00           C
ATOM    551  NE2 HIS A 440       1.541   1.215  -0.546  1.00  0.00           N
ATOM      0  H   HIS A 440       4.415   0.313   3.177  1.00  0.00           H   new
ATOM      0  HA  HIS A 440       5.629  -0.398   0.479  1.00  0.00           H   new
ATOM      0  HB2 HIS A 440       5.036   2.304   1.789  1.00  0.00           H   new
ATOM      0  HB3 HIS A 440       5.547   2.024   0.136  1.00  0.00           H   new
ATOM      0  HD1 HIS A 440       2.574   1.419   2.470  1.00  0.00           H   new
ATOM      0  HD2 HIS A 440       3.429   1.416  -1.653  1.00  0.00           H   new
ATOM      0  HE1 HIS A 440       0.359   1.119   1.230  1.00  0.00           H   new